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 1qo5_1_K DATA FIRST_RESID 4 DATA SEQUENCE FPALTQEQKK ELSEIAQSIV ANGKGILAAD ESVGTMGNRL QRIKVENTEE DATA SEQUENCE NRRQFREILF SVDSSINQSI GGVILFHETL YQKDSQGKLF RNILKEKGIV DATA SEQUENCE VGIKLDQGGA PLAGTNKETT IQGLDGLSER CAQYKKDGVD FGKWRAVLRI DATA SEQUENCE ADQCPSSLAI QENANALARY ASICQQNGLV PIVEPEVIPD GDHDLEHCQY DATA SEQUENCE VTEKVLAAVY KALNDHHVYL EGTLLKPNMV TAGHACTKKY TPEQVAMATV DATA SEQUENCE TALHRTVPAA VPGICFLSGG MSEEDATLNL NAINLCPLPK PWKLSFSYGR DATA SEQUENCE ALQASALAAW GGKAANKEAT QEAFMKRAMA NCQAAKGQYV HTGSSGAAST DATA SEQUENCE QSLF 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 4 F HA 0.000 nan 4.527 nan 0.000 0.279 4 F C 0.000 175.727 175.800 -0.121 0.000 0.967 4 F CA 0.000 57.946 58.000 -0.089 0.000 1.383 4 F CB 0.000 38.946 39.000 -0.090 0.000 1.145 5 P HA 0.186 nan 4.420 nan 0.000 0.264 5 P C 0.507 177.794 177.300 -0.021 0.000 1.183 5 P CA 0.189 63.261 63.100 -0.047 0.000 0.763 5 P CB 1.463 33.129 31.700 -0.058 0.000 0.807 6 A N 3.196 125.996 122.820 -0.033 0.000 2.016 6 A HA 0.166 4.486 4.320 0.000 0.000 0.217 6 A C 1.086 178.656 177.584 -0.024 0.000 1.162 6 A CA 0.712 52.745 52.037 -0.006 0.000 0.662 6 A CB -0.186 18.836 19.000 0.038 0.000 0.812 6 A HN 0.575 nan 8.150 nan 0.000 0.450 7 L N -1.510 119.676 121.223 -0.061 0.000 2.341 7 L HA 0.423 4.763 4.340 0.000 0.000 0.254 7 L C 0.267 177.074 176.870 -0.104 0.000 1.040 7 L CA -0.856 53.928 54.840 -0.093 0.000 0.837 7 L CB 2.315 44.266 42.059 -0.180 0.000 1.425 7 L HN 0.200 nan 8.230 nan 0.000 0.414 8 T N -3.229 111.266 114.554 -0.098 0.000 2.862 8 T HA 0.211 4.561 4.350 0.000 0.000 0.276 8 T C 0.614 175.239 174.700 -0.124 0.000 0.974 8 T CA -0.735 61.310 62.100 -0.091 0.000 0.966 8 T CB 1.123 69.954 68.868 -0.062 0.000 1.072 8 T HN 0.461 nan 8.240 nan 0.000 0.538 9 Q N 0.350 120.093 119.800 -0.094 0.000 2.124 9 Q HA -0.090 4.250 4.340 0.000 0.000 0.202 9 Q C 2.099 178.049 176.000 -0.084 0.000 0.977 9 Q CA 1.581 57.327 55.803 -0.095 0.000 0.850 9 Q CB -0.557 28.148 28.738 -0.055 0.000 0.901 9 Q HN 0.840 nan 8.270 nan 0.000 0.429 10 E N 1.018 121.180 120.200 -0.062 0.000 2.038 10 E HA -0.217 4.133 4.350 0.000 0.000 0.195 10 E C 2.147 178.711 176.600 -0.060 0.000 1.000 10 E CA 1.462 57.834 56.400 -0.046 0.000 0.803 10 E CB -0.061 29.619 29.700 -0.033 0.000 0.750 10 E HN 0.416 nan 8.360 nan 0.000 0.448 11 Q N 0.456 120.208 119.800 -0.080 0.000 2.112 11 Q HA -0.227 4.113 4.340 0.000 0.000 0.206 11 Q C 2.080 178.011 176.000 -0.116 0.000 0.987 11 Q CA 1.606 57.358 55.803 -0.084 0.000 0.858 11 Q CB -0.145 28.540 28.738 -0.090 0.000 0.905 11 Q HN 0.160 nan 8.270 nan 0.000 0.420 12 K N 0.798 121.054 120.400 -0.240 0.000 2.026 12 K HA -0.149 4.171 4.320 0.000 0.000 0.208 12 K C 2.092 178.685 176.600 -0.011 0.000 1.048 12 K CA 1.086 57.168 56.287 -0.341 0.000 0.929 12 K CB -0.127 31.915 32.500 -0.764 0.000 0.713 12 K HN 0.057 nan 8.250 nan 0.000 0.439 13 K N 1.684 122.073 120.400 -0.019 0.000 2.103 13 K HA -0.253 4.067 4.320 0.000 0.000 0.207 13 K C 2.045 178.671 176.600 0.043 0.000 1.048 13 K CA 1.632 57.941 56.287 0.036 0.000 0.930 13 K CB 0.021 32.529 32.500 0.014 0.000 0.716 13 K HN 0.181 nan 8.250 nan 0.000 0.444 14 E N 0.662 120.874 120.200 0.021 0.000 2.031 14 E HA -0.198 4.152 4.350 0.000 0.000 0.193 14 E C 2.226 178.859 176.600 0.056 0.000 0.994 14 E CA 1.227 57.646 56.400 0.031 0.000 0.800 14 E CB -0.076 29.634 29.700 0.018 0.000 0.752 14 E HN 0.345 nan 8.360 nan 0.000 0.447 15 L N 0.289 121.561 121.223 0.082 0.000 2.017 15 L HA -0.181 4.159 4.340 0.000 0.000 0.208 15 L C 2.835 179.777 176.870 0.119 0.000 1.073 15 L CA 1.229 56.139 54.840 0.117 0.000 0.745 15 L CB -0.470 41.696 42.059 0.178 0.000 0.894 15 L HN 0.161 nan 8.230 nan 0.000 0.432 16 S N -0.458 115.346 115.700 0.173 0.000 2.368 16 S HA -0.216 4.254 4.470 0.000 0.000 0.225 16 S C 1.856 176.487 174.600 0.052 0.000 1.030 16 S CA 1.546 59.814 58.200 0.113 0.000 0.999 16 S CB -0.059 63.242 63.200 0.168 0.000 0.844 16 S HN 0.401 nan 8.310 nan 0.000 0.459 17 E N 0.439 120.670 120.200 0.053 0.000 2.051 17 E HA -0.093 4.257 4.350 0.000 0.000 0.192 17 E C 2.020 178.625 176.600 0.008 0.000 0.991 17 E CA 1.486 57.901 56.400 0.024 0.000 0.799 17 E CB -0.242 29.472 29.700 0.023 0.000 0.748 17 E HN 0.539 nan 8.360 nan 0.000 0.449 18 I N 1.092 121.673 120.570 0.018 0.000 2.087 18 I HA -0.368 3.802 4.170 0.000 0.000 0.240 18 I C 2.555 178.644 176.117 -0.047 0.000 1.054 18 I CA 1.342 62.642 61.300 0.002 0.000 1.311 18 I CB -0.471 37.550 38.000 0.034 0.000 1.024 18 I HN 0.136 nan 8.210 nan 0.000 0.402 19 A N -0.067 122.728 122.820 -0.040 0.000 1.892 19 A HA -0.312 4.008 4.320 0.000 0.000 0.218 19 A C 2.256 179.781 177.584 -0.098 0.000 1.188 19 A CA 2.039 54.021 52.037 -0.092 0.000 0.631 19 A CB -0.818 18.143 19.000 -0.064 0.000 0.822 19 A HN 0.519 nan 8.150 nan 0.000 0.447 20 Q N -0.138 119.628 119.800 -0.057 0.000 2.170 20 Q HA -0.145 4.195 4.340 0.000 0.000 0.203 20 Q C 2.416 178.376 176.000 -0.067 0.000 0.976 20 Q CA 1.771 57.540 55.803 -0.057 0.000 0.858 20 Q CB -0.229 28.491 28.738 -0.030 0.000 0.907 20 Q HN 0.896 nan 8.270 nan 0.000 0.433 21 S N 0.267 115.931 115.700 -0.060 0.000 2.419 21 S HA -0.129 4.341 4.470 0.000 0.000 0.233 21 S C 1.802 176.350 174.600 -0.088 0.000 1.016 21 S CA 0.871 59.037 58.200 -0.057 0.000 0.974 21 S CB -0.415 62.762 63.200 -0.037 0.000 0.786 21 S HN 0.360 nan 8.310 nan 0.000 0.492 22 I N 1.742 122.229 120.570 -0.139 0.000 2.676 22 I HA -0.021 4.149 4.170 0.000 0.000 0.259 22 I C 1.531 177.531 176.117 -0.194 0.000 1.194 22 I CA 0.927 62.108 61.300 -0.199 0.000 1.473 22 I CB -0.171 37.615 38.000 -0.356 0.000 1.096 22 I HN 0.388 nan 8.210 nan 0.000 0.443 23 V N -2.898 116.920 119.914 -0.158 0.000 3.159 23 V HA 0.457 4.577 4.120 0.000 0.000 0.333 23 V C 2.025 178.064 176.094 -0.092 0.000 1.424 23 V CA 0.224 62.430 62.300 -0.156 0.000 1.125 23 V CB -0.206 31.521 31.823 -0.160 0.000 1.075 23 V HN 0.140 nan 8.190 nan 0.000 0.482 24 A N 2.724 125.502 122.820 -0.071 0.000 1.940 24 A HA -0.221 4.099 4.320 0.000 0.000 0.221 24 A C 1.164 178.734 177.584 -0.024 0.000 1.190 24 A CA 2.574 54.586 52.037 -0.042 0.000 0.647 24 A CB -0.696 18.282 19.000 -0.036 0.000 0.821 24 A HN 0.956 nan 8.150 nan 0.000 0.457 25 N N -3.761 114.927 118.700 -0.018 0.000 2.666 25 N HA 0.460 5.200 4.740 0.000 0.000 0.253 25 N C 0.158 175.679 175.510 0.018 0.000 1.621 25 N CA 0.323 53.373 53.050 0.001 0.000 0.785 25 N CB 0.767 39.257 38.487 0.004 0.000 1.332 25 N HN 0.709 nan 8.380 nan 0.000 0.514 26 G N 0.047 108.859 108.800 0.021 0.000 2.179 26 G HA2 -0.279 3.681 3.960 0.000 0.000 0.220 26 G HA3 -0.279 3.681 3.960 0.000 0.000 0.220 26 G C -0.107 174.839 174.900 0.077 0.000 0.990 26 G CA -0.379 44.758 45.100 0.061 0.000 0.646 26 G HN 0.340 nan 8.290 nan 0.000 0.517 27 K N 0.294 120.692 120.400 -0.002 0.000 2.107 27 K HA 0.605 4.926 4.320 0.000 0.000 0.251 27 K C 0.770 177.203 176.600 -0.278 0.000 1.012 27 K CA 0.256 56.516 56.287 -0.045 0.000 0.920 27 K CB 1.390 33.853 32.500 -0.062 0.000 1.033 27 K HN 0.355 nan 8.250 nan 0.000 0.478 28 G N 0.586 109.041 108.800 -0.574 0.000 3.021 28 G HA2 0.609 4.569 3.960 0.000 0.000 0.290 28 G HA3 0.609 4.569 3.960 0.000 0.000 0.290 28 G C -1.274 173.151 174.900 -0.792 0.000 1.291 28 G CA -0.725 43.523 45.100 -1.421 0.000 0.834 28 G HN 0.445 nan 8.290 nan 0.000 0.564 29 I N 0.425 120.522 120.570 -0.788 0.000 2.509 29 I HA 0.331 4.501 4.170 0.000 0.000 0.293 29 I C -1.046 175.146 176.117 0.126 0.000 1.020 29 I CA -0.765 60.433 61.300 -0.170 0.000 1.088 29 I CB 2.215 40.119 38.000 -0.159 0.000 1.267 29 I HN 0.314 nan 8.210 nan 0.000 0.430 30 L N 6.947 128.304 121.223 0.224 0.000 2.265 30 L HA 0.556 4.896 4.340 0.000 0.000 0.288 30 L C 0.170 177.182 176.870 0.236 0.000 1.058 30 L CA 0.019 55.047 54.840 0.314 0.000 0.809 30 L CB 1.047 43.322 42.059 0.359 0.000 1.179 30 L HN 0.657 nan 8.230 nan 0.000 0.429 31 A N 5.052 128.013 122.820 0.235 0.000 2.650 31 A HA 0.642 4.962 4.320 0.000 0.000 0.320 31 A C 0.729 178.400 177.584 0.145 0.000 1.466 31 A CA 0.140 52.285 52.037 0.180 0.000 1.099 31 A CB -0.250 18.856 19.000 0.175 0.000 1.136 31 A HN 1.067 nan 8.150 nan 0.000 0.532 32 A N 2.499 125.401 122.820 0.137 0.000 2.507 32 A HA 0.258 4.578 4.320 0.000 0.000 0.270 32 A C 0.769 178.428 177.584 0.125 0.000 1.318 32 A CA 0.349 52.463 52.037 0.129 0.000 0.924 32 A CB -0.153 18.957 19.000 0.182 0.000 1.061 32 A HN 0.733 nan 8.150 nan 0.000 0.516 33 D N 0.102 120.564 120.400 0.103 0.000 2.413 33 D HA 0.062 4.702 4.640 0.000 0.000 0.237 33 D C -0.655 175.660 176.300 0.025 0.000 1.171 33 D CA -0.138 53.933 54.000 0.118 0.000 0.839 33 D CB -0.166 40.696 40.800 0.105 0.000 0.950 33 D HN 0.334 nan 8.370 nan 0.000 0.499 34 E N 0.780 120.956 120.200 -0.040 0.000 2.344 34 E HA 0.189 4.539 4.350 0.000 0.000 0.270 34 E C 0.555 176.875 176.600 -0.468 0.000 1.021 34 E CA -0.304 55.989 56.400 -0.177 0.000 0.887 34 E CB 0.749 30.379 29.700 -0.117 0.000 0.997 34 E HN 0.233 nan 8.360 nan 0.000 0.429 35 S N 1.314 116.572 115.700 -0.738 0.000 2.617 35 S HA 0.075 4.545 4.470 0.000 0.000 0.259 35 S C 1.369 175.597 174.600 -0.621 0.000 1.301 35 S CA -0.792 56.597 58.200 -1.352 0.000 0.984 35 S CB 0.736 63.480 63.200 -0.760 0.000 0.954 35 S HN 0.307 nan 8.310 nan 0.000 0.572 36 V N 1.699 121.329 119.914 -0.473 0.000 2.250 36 V HA -0.192 3.928 4.120 0.000 0.000 0.250 36 V C 2.770 178.795 176.094 -0.115 0.000 1.060 36 V CA 2.502 64.714 62.300 -0.146 0.000 1.030 36 V CB -1.996 29.823 31.823 -0.008 0.000 0.643 36 V HN 1.061 nan 8.190 nan 0.000 0.445 37 G N -0.664 108.062 108.800 -0.124 0.000 2.459 37 G HA2 -0.250 3.710 3.960 0.000 0.000 0.217 37 G HA3 -0.250 3.710 3.960 0.000 0.000 0.217 37 G C 1.690 176.531 174.900 -0.099 0.000 1.183 37 G CA 1.607 46.653 45.100 -0.090 0.000 0.776 37 G HN 0.487 nan 8.290 nan 0.000 0.552 38 T N 1.011 115.482 114.554 -0.139 0.000 2.708 38 T HA -0.154 4.196 4.350 0.000 0.000 0.266 38 T C 2.307 176.947 174.700 -0.100 0.000 1.037 38 T CA 1.561 63.589 62.100 -0.119 0.000 1.146 38 T CB -0.247 68.533 68.868 -0.146 0.000 0.865 38 T HN 0.165 nan 8.240 nan 0.000 0.435 39 M N 1.865 121.392 119.600 -0.122 0.000 2.260 39 M HA 0.016 4.496 4.480 0.000 0.000 0.261 39 M C 2.150 178.415 176.300 -0.058 0.000 1.066 39 M CA 1.255 56.506 55.300 -0.082 0.000 1.082 39 M CB -1.118 31.439 32.600 -0.072 0.000 1.388 39 M HN 0.268 nan 8.290 nan 0.000 0.419 40 G N 0.052 108.819 108.800 -0.055 0.000 2.459 40 G HA2 -0.292 3.668 3.960 0.000 0.000 0.217 40 G HA3 -0.292 3.668 3.960 0.000 0.000 0.217 40 G C 1.413 176.292 174.900 -0.036 0.000 1.183 40 G CA 1.143 46.222 45.100 -0.034 0.000 0.776 40 G HN 0.518 nan 8.290 nan 0.000 0.552 41 N N 0.598 119.272 118.700 -0.043 0.000 2.149 41 N HA -0.081 4.659 4.740 0.000 0.000 0.188 41 N C 2.302 177.790 175.510 -0.038 0.000 1.019 41 N CA 0.802 53.831 53.050 -0.035 0.000 0.857 41 N CB -0.274 38.194 38.487 -0.033 0.000 0.997 41 N HN 0.197 nan 8.380 nan 0.000 0.426 42 R N 0.804 121.273 120.500 -0.052 0.000 2.066 42 R HA 0.073 4.413 4.340 0.000 0.000 0.232 42 R C 2.411 178.668 176.300 -0.071 0.000 1.131 42 R CA 0.476 56.536 56.100 -0.066 0.000 0.955 42 R CB -1.042 29.201 30.300 -0.096 0.000 0.851 42 R HN 0.305 nan 8.270 nan 0.000 0.432 43 L N 0.929 122.116 121.223 -0.060 0.000 2.083 43 L HA -0.200 4.141 4.340 0.000 0.000 0.209 43 L C 2.690 179.539 176.870 -0.036 0.000 1.083 43 L CA 1.098 55.917 54.840 -0.035 0.000 0.752 43 L CB -0.453 41.608 42.059 0.003 0.000 0.899 43 L HN 0.112 nan 8.230 nan 0.000 0.433 44 Q N 0.786 120.566 119.800 -0.033 0.000 2.062 44 Q HA -0.256 4.084 4.340 0.000 0.000 0.209 44 Q C 2.221 178.201 176.000 -0.034 0.000 0.996 44 Q CA 1.876 57.660 55.803 -0.031 0.000 0.859 44 Q CB -0.254 28.469 28.738 -0.025 0.000 0.920 44 Q HN 0.271 nan 8.270 nan 0.000 0.415 45 R N -0.208 120.272 120.500 -0.033 0.000 2.113 45 R HA -0.163 4.177 4.340 0.000 0.000 0.244 45 R C 1.975 178.253 176.300 -0.036 0.000 1.142 45 R CA 1.824 57.906 56.100 -0.031 0.000 0.953 45 R CB -0.707 29.576 30.300 -0.029 0.000 0.860 45 R HN 0.543 nan 8.270 nan 0.000 0.438 46 I N -1.072 119.472 120.570 -0.045 0.000 3.826 46 I HA 0.163 4.333 4.170 0.000 0.000 0.319 46 I C -0.684 175.389 176.117 -0.073 0.000 1.394 46 I CA -0.214 61.054 61.300 -0.054 0.000 1.197 46 I CB -0.161 37.808 38.000 -0.052 0.000 1.096 46 I HN -0.060 nan 8.210 nan 0.000 0.409 47 K N 0.741 121.105 120.400 -0.060 0.000 3.356 47 K HA -0.128 4.192 4.320 0.000 0.000 0.270 47 K C -0.593 175.956 176.600 -0.084 0.000 0.901 47 K CA 0.274 56.523 56.287 -0.062 0.000 0.688 47 K CB -1.499 30.967 32.500 -0.056 0.000 1.460 47 K HN 0.403 nan 8.250 nan 0.000 0.458 48 V N 0.734 120.596 119.914 -0.086 0.000 2.513 48 V HA 0.146 4.266 4.120 0.000 0.000 0.299 48 V C 0.609 176.678 176.094 -0.042 0.000 1.035 48 V CA -0.839 61.401 62.300 -0.100 0.000 0.889 48 V CB 1.727 33.462 31.823 -0.147 0.000 0.988 48 V HN 0.348 nan 8.190 nan 0.000 0.440 49 E N 3.716 123.897 120.200 -0.031 0.000 2.415 49 E HA -0.035 4.315 4.350 0.000 0.000 0.263 49 E C 0.423 177.037 176.600 0.024 0.000 0.995 49 E CA -0.038 56.359 56.400 -0.005 0.000 0.915 49 E CB 0.363 30.061 29.700 -0.003 0.000 0.951 49 E HN 0.732 nan 8.360 nan 0.000 0.449 50 N N 3.926 122.638 118.700 0.021 0.000 3.103 50 N HA -0.019 4.721 4.740 0.000 0.000 0.305 50 N C -1.019 174.521 175.510 0.050 0.000 1.232 50 N CA -0.072 52.999 53.050 0.035 0.000 1.190 50 N CB 0.280 38.778 38.487 0.017 0.000 1.461 50 N HN 0.250 nan 8.380 nan 0.000 0.538 51 T N 0.656 115.252 114.554 0.070 0.000 2.799 51 T HA 0.020 4.370 4.350 0.000 0.000 0.286 51 T C 1.250 176.010 174.700 0.100 0.000 0.973 51 T CA -0.526 61.620 62.100 0.077 0.000 1.035 51 T CB 1.591 70.503 68.868 0.072 0.000 0.932 51 T HN 0.513 nan 8.240 nan 0.000 0.469 52 E N 2.730 122.989 120.200 0.099 0.000 2.171 52 E HA -0.247 4.103 4.350 0.000 0.000 0.197 52 E C 1.557 178.232 176.600 0.126 0.000 0.997 52 E CA 1.681 58.153 56.400 0.121 0.000 0.810 52 E CB 0.097 29.866 29.700 0.116 0.000 0.738 52 E HN 0.654 nan 8.360 nan 0.000 0.467 53 E N 0.543 120.810 120.200 0.112 0.000 2.150 53 E HA -0.152 4.198 4.350 0.000 0.000 0.193 53 E C 1.603 178.306 176.600 0.172 0.000 0.985 53 E CA 1.347 57.822 56.400 0.126 0.000 0.814 53 E CB -0.088 29.673 29.700 0.101 0.000 0.752 53 E HN 0.282 nan 8.360 nan 0.000 0.466 54 N N 0.174 118.987 118.700 0.189 0.000 2.207 54 N HA -0.040 4.700 4.740 0.000 0.000 0.182 54 N C 1.650 177.343 175.510 0.304 0.000 1.020 54 N CA 0.857 54.089 53.050 0.304 0.000 0.858 54 N CB -0.140 38.511 38.487 0.273 0.000 0.991 54 N HN 0.186 nan 8.380 nan 0.000 0.427 55 R N 0.873 121.497 120.500 0.205 0.000 2.082 55 R HA -0.072 4.268 4.340 0.000 0.000 0.234 55 R C 2.199 178.592 176.300 0.155 0.000 1.136 55 R CA 1.079 57.278 56.100 0.165 0.000 0.935 55 R CB -0.414 29.977 30.300 0.151 0.000 0.842 55 R HN 0.222 nan 8.270 nan 0.000 0.430 56 R N 1.362 121.979 120.500 0.194 0.000 2.159 56 R HA -0.185 4.155 4.340 0.000 0.000 0.237 56 R C 2.029 178.450 176.300 0.203 0.000 1.131 56 R CA 1.609 57.870 56.100 0.267 0.000 0.982 56 R CB -0.000 30.438 30.300 0.231 0.000 0.868 56 R HN 0.372 nan 8.270 nan 0.000 0.453 57 Q N -0.724 119.165 119.800 0.148 0.000 2.049 57 Q HA -0.152 4.188 4.340 0.000 0.000 0.198 57 Q C 1.813 177.688 176.000 -0.208 0.000 0.971 57 Q CA 1.717 57.575 55.803 0.091 0.000 0.833 57 Q CB -0.184 28.724 28.738 0.284 0.000 0.896 57 Q HN 0.299 nan 8.270 nan 0.000 0.434 58 F N 1.360 120.963 119.950 -0.578 0.000 2.126 58 F HA -0.194 4.333 4.527 0.000 0.000 0.299 58 F C 1.980 177.312 175.800 -0.780 0.000 1.096 58 F CA 1.544 58.913 58.000 -1.052 0.000 1.255 58 F CB 0.061 38.352 39.000 -1.182 0.000 0.997 58 F HN -0.120 nan 8.300 nan 0.000 0.479 59 R N 0.008 120.073 120.500 -0.725 0.000 2.115 59 R HA -0.166 4.174 4.340 0.000 0.000 0.230 59 R C 2.247 177.590 176.300 -1.596 0.000 1.111 59 R CA 1.418 56.769 56.100 -1.247 0.000 0.976 59 R CB -0.552 29.268 30.300 -0.800 0.000 0.870 59 R HN 0.458 nan 8.270 nan 0.000 0.445 60 E N 1.150 120.820 120.200 -0.882 0.000 2.110 60 E HA -0.193 4.157 4.350 0.000 0.000 0.193 60 E C 1.805 178.094 176.600 -0.518 0.000 0.988 60 E CA 1.053 57.123 56.400 -0.550 0.000 0.804 60 E CB 0.005 29.712 29.700 0.012 0.000 0.745 60 E HN 0.274 nan 8.360 nan 0.000 0.458 61 I N 0.927 121.131 120.570 -0.611 0.000 2.142 61 I HA -0.325 3.845 4.170 0.000 0.000 0.240 61 I C 2.410 178.186 176.117 -0.568 0.000 1.078 61 I CA 0.972 61.962 61.300 -0.517 0.000 1.343 61 I CB -0.269 37.392 38.000 -0.566 0.000 1.046 61 I HN 0.200 nan 8.210 nan 0.000 0.405 62 L N 0.029 120.688 121.223 -0.941 0.000 1.951 62 L HA -0.277 4.063 4.340 0.000 0.000 0.222 62 L C 2.569 179.203 176.870 -0.394 0.000 1.078 62 L CA 1.946 56.256 54.840 -0.884 0.000 0.778 62 L CB -0.996 40.264 42.059 -1.332 0.000 0.893 62 L HN 0.206 nan 8.230 nan 0.000 0.436 63 F N -0.042 119.676 119.950 -0.388 0.000 2.408 63 F HA -0.147 4.380 4.527 0.000 0.000 0.300 63 F C 2.507 178.235 175.800 -0.120 0.000 1.090 63 F CA 0.518 58.380 58.000 -0.231 0.000 1.427 63 F CB -0.489 38.301 39.000 -0.350 0.000 1.070 63 F HN 0.247 nan 8.300 nan 0.000 0.549 64 S N -0.076 115.627 115.700 0.006 0.000 2.605 64 S HA 0.155 4.625 4.470 0.000 0.000 0.217 64 S C 0.667 175.288 174.600 0.035 0.000 0.958 64 S CA -0.218 58.004 58.200 0.037 0.000 0.919 64 S CB -1.371 61.839 63.200 0.017 0.000 0.780 64 S HN 0.128 nan 8.310 nan 0.000 0.507 65 V N 0.047 119.994 119.914 0.055 0.000 3.747 65 V HA 0.244 4.364 4.120 0.000 0.000 0.299 65 V C 0.438 176.565 176.094 0.055 0.000 1.103 65 V CA -0.522 61.818 62.300 0.067 0.000 1.154 65 V CB -0.263 31.635 31.823 0.126 0.000 1.127 65 V HN 0.383 nan 8.190 nan 0.000 0.482 66 D N 0.254 120.677 120.400 0.038 0.000 2.362 66 D HA 0.195 4.835 4.640 0.000 0.000 0.242 66 D C 1.345 177.660 176.300 0.025 0.000 1.132 66 D CA 0.527 54.543 54.000 0.027 0.000 0.907 66 D CB 1.360 42.170 40.800 0.016 0.000 1.195 66 D HN 0.915 nan 8.370 nan 0.000 0.429 67 S N 0.874 116.587 115.700 0.022 0.000 2.507 67 S HA -0.148 4.322 4.470 0.000 0.000 0.235 67 S C 1.651 176.256 174.600 0.009 0.000 0.988 67 S CA 0.808 59.020 58.200 0.020 0.000 0.944 67 S CB -0.487 62.724 63.200 0.018 0.000 0.762 67 S HN 0.430 nan 8.310 nan 0.000 0.526 68 S N 2.190 117.891 115.700 0.001 0.000 2.420 68 S HA -0.117 4.353 4.470 0.000 0.000 0.237 68 S C 1.534 176.122 174.600 -0.021 0.000 1.023 68 S CA 1.163 59.357 58.200 -0.009 0.000 0.991 68 S CB -0.765 62.424 63.200 -0.018 0.000 0.792 68 S HN 0.552 nan 8.310 nan 0.000 0.488 69 I N 3.956 124.510 120.570 -0.025 0.000 2.399 69 I HA -0.258 3.912 4.170 0.000 0.000 0.254 69 I C 1.585 177.691 176.117 -0.018 0.000 1.146 69 I CA 1.342 62.611 61.300 -0.052 0.000 1.412 69 I CB -0.470 37.515 38.000 -0.026 0.000 1.076 69 I HN 0.384 nan 8.210 nan 0.000 0.432 70 N N 0.024 118.725 118.700 0.002 0.000 2.575 70 N HA -0.154 4.586 4.740 0.000 0.000 0.192 70 N C 1.284 176.796 175.510 0.003 0.000 1.200 70 N CA 0.798 53.853 53.050 0.008 0.000 0.897 70 N CB -0.590 37.904 38.487 0.011 0.000 0.990 70 N HN 0.560 nan 8.380 nan 0.000 0.449 71 Q N -0.856 118.942 119.800 -0.003 0.000 2.376 71 Q HA 0.234 4.574 4.340 0.000 0.000 0.206 71 Q C 0.893 176.901 176.000 0.013 0.000 0.921 71 Q CA 0.638 56.442 55.803 0.001 0.000 0.911 71 Q CB 0.404 29.139 28.738 -0.004 0.000 1.032 71 Q HN 0.366 nan 8.270 nan 0.000 0.510 72 S N -0.337 115.371 115.700 0.013 0.000 2.527 72 S HA 0.180 4.650 4.470 0.000 0.000 0.227 72 S C 0.421 175.093 174.600 0.120 0.000 1.059 72 S CA 0.016 58.252 58.200 0.060 0.000 0.919 72 S CB 0.820 64.023 63.200 0.006 0.000 0.805 72 S HN 0.099 nan 8.310 nan 0.000 0.500 73 I N 2.002 122.608 120.570 0.061 0.000 2.362 73 I HA 0.378 4.548 4.170 0.000 0.000 0.289 73 I C 1.313 177.438 176.117 0.014 0.000 0.994 73 I CA -0.245 61.099 61.300 0.073 0.000 1.158 73 I CB 0.827 38.895 38.000 0.113 0.000 1.315 73 I HN 0.216 nan 8.210 nan 0.000 0.451 74 G N 4.570 113.339 108.800 -0.051 0.000 2.545 74 G HA2 0.340 4.300 3.960 0.000 0.000 0.212 74 G HA3 0.340 4.300 3.960 0.000 0.000 0.212 74 G C 0.570 175.445 174.900 -0.042 0.000 1.144 74 G CA 0.460 45.519 45.100 -0.069 0.000 0.813 74 G HN 0.730 nan 8.290 nan 0.000 0.531 75 G N -1.600 107.187 108.800 -0.022 0.000 2.708 75 G HA2 0.505 4.465 3.960 0.000 0.000 0.289 75 G HA3 0.505 4.465 3.960 0.000 0.000 0.289 75 G C -2.126 172.874 174.900 0.167 0.000 1.416 75 G CA -0.400 44.770 45.100 0.117 0.000 0.829 75 G HN 0.332 nan 8.290 nan 0.000 0.480 76 V N 0.751 120.788 119.914 0.204 0.000 2.623 76 V HA 0.438 4.558 4.120 0.000 0.000 0.304 76 V C -0.407 175.722 176.094 0.059 0.000 1.054 76 V CA -0.532 61.843 62.300 0.126 0.000 0.882 76 V CB 1.616 33.426 31.823 -0.023 0.000 1.002 76 V HN 0.638 nan 8.190 nan 0.000 0.424 77 I N 5.744 126.363 120.570 0.081 0.000 2.331 77 I HA 0.469 4.639 4.170 0.000 0.000 0.292 77 I C -0.404 175.690 176.117 -0.039 0.000 0.998 77 I CA -0.256 61.014 61.300 -0.050 0.000 1.267 77 I CB 1.222 39.254 38.000 0.054 0.000 1.386 77 I HN 0.356 nan 8.210 nan 0.000 0.476 78 L N 5.260 126.412 121.223 -0.119 0.000 2.313 78 L HA 0.533 4.873 4.340 0.000 0.000 0.268 78 L C -0.557 176.343 176.870 0.050 0.000 1.010 78 L CA -0.795 54.031 54.840 -0.023 0.000 0.814 78 L CB 1.718 43.712 42.059 -0.110 0.000 1.304 78 L HN 0.396 nan 8.230 nan 0.000 0.441 79 F N -0.301 119.646 119.950 -0.005 0.000 2.397 79 F HA 0.283 4.810 4.527 0.000 0.000 0.331 79 F C 1.598 177.461 175.800 0.104 0.000 1.090 79 F CA -0.166 57.858 58.000 0.040 0.000 1.065 79 F CB 0.665 39.703 39.000 0.063 0.000 1.184 79 F HN 0.459 nan 8.300 nan 0.000 0.499 80 H N 3.351 121.964 119.070 -0.761 0.000 2.325 80 H HA -0.250 4.306 4.556 0.000 0.000 0.293 80 H C 1.939 177.148 175.328 -0.198 0.000 1.106 80 H CA 2.619 58.436 56.048 -0.386 0.000 1.247 80 H CB 0.068 29.590 29.762 -0.401 0.000 1.359 80 H HN 0.896 nan 8.280 nan 0.000 0.488 81 E N -0.082 119.967 120.200 -0.252 0.000 2.070 81 E HA -0.175 4.175 4.350 0.000 0.000 0.197 81 E C 1.916 178.594 176.600 0.130 0.000 1.004 81 E CA 2.094 58.535 56.400 0.067 0.000 0.805 81 E CB -0.278 29.524 29.700 0.171 0.000 0.744 81 E HN 0.381 nan 8.360 nan 0.000 0.451 82 T N 1.577 116.230 114.554 0.165 0.000 2.803 82 T HA -0.160 4.190 4.350 0.000 0.000 0.269 82 T C 1.763 176.516 174.700 0.089 0.000 1.052 82 T CA 1.266 63.509 62.100 0.237 0.000 1.136 82 T CB -0.292 68.772 68.868 0.327 0.000 0.864 82 T HN 0.218 nan 8.240 nan 0.000 0.467 83 L N -0.136 121.002 121.223 -0.142 0.000 2.376 83 L HA 0.098 4.438 4.340 0.000 0.000 0.219 83 L C 1.080 177.551 176.870 -0.666 0.000 1.133 83 L CA 1.434 55.998 54.840 -0.461 0.000 0.816 83 L CB -0.393 41.254 42.059 -0.687 0.000 0.933 83 L HN 0.279 nan 8.230 nan 0.000 0.449 84 Y N -1.017 119.219 120.300 -0.106 0.000 2.507 84 Y HA 0.333 4.883 4.550 0.000 0.000 0.254 84 Y C 0.828 176.662 175.900 -0.109 0.000 1.171 84 Y CA -0.585 57.452 58.100 -0.105 0.000 1.238 84 Y CB 0.143 38.528 38.460 -0.125 0.000 1.148 84 Y HN 0.198 nan 8.280 nan 0.000 0.525 85 Q N 0.851 120.610 119.800 -0.067 0.000 2.221 85 Q HA 0.396 4.736 4.340 0.000 0.000 0.242 85 Q C -0.601 175.011 176.000 -0.647 0.000 0.940 85 Q CA -0.507 55.132 55.803 -0.273 0.000 0.896 85 Q CB 1.577 30.181 28.738 -0.222 0.000 1.226 85 Q HN 0.156 nan 8.270 nan 0.000 0.463 86 K N 0.679 120.687 120.400 -0.653 0.000 2.281 86 K HA 0.208 4.528 4.320 0.000 0.000 0.242 86 K C -1.030 175.191 176.600 -0.632 0.000 0.971 86 K CA -0.823 55.102 56.287 -0.603 0.000 0.834 86 K CB 1.138 33.495 32.500 -0.238 0.000 1.181 86 K HN 0.578 nan 8.250 nan 0.000 0.435 87 D N -0.441 119.812 120.400 -0.243 0.000 2.433 87 D HA 0.042 4.682 4.640 0.000 0.000 0.255 87 D C -0.509 175.806 176.300 0.025 0.000 1.226 87 D CA -0.453 53.602 54.000 0.092 0.000 1.015 87 D CB 0.330 41.285 40.800 0.258 0.000 1.091 87 D HN 0.132 nan 8.370 nan 0.000 0.527 88 S N 0.588 116.330 115.700 0.070 0.000 2.555 88 S HA 0.041 4.511 4.470 0.000 0.000 0.293 88 S C 0.259 174.879 174.600 0.034 0.000 1.248 88 S CA 0.088 58.316 58.200 0.047 0.000 1.096 88 S CB -0.167 63.070 63.200 0.061 0.000 0.881 88 S HN 0.495 nan 8.310 nan 0.000 0.498 89 Q N 1.390 121.202 119.800 0.020 0.000 6.125 89 Q HA -0.155 4.185 4.340 0.000 0.000 0.294 89 Q C 0.861 176.864 176.000 0.005 0.000 0.877 89 Q CA 0.752 56.566 55.803 0.019 0.000 0.815 89 Q CB -1.748 27.009 28.738 0.031 0.000 0.501 89 Q HN 1.328 nan 8.270 nan 0.000 1.037 90 G N 1.926 110.719 108.800 -0.013 0.000 2.176 90 G HA2 -0.333 3.627 3.960 0.000 0.000 0.252 90 G HA3 -0.333 3.627 3.960 0.000 0.000 0.252 90 G C -0.101 174.782 174.900 -0.029 0.000 1.024 90 G CA 1.153 46.235 45.100 -0.031 0.000 0.755 90 G HN 0.253 nan 8.290 nan 0.000 0.507 91 K N 0.003 120.393 120.400 -0.017 0.000 2.156 91 K HA 0.639 4.959 4.320 0.000 0.000 0.271 91 K C 0.775 177.361 176.600 -0.024 0.000 0.995 91 K CA -0.969 55.318 56.287 -0.001 0.000 0.890 91 K CB 0.507 33.028 32.500 0.034 0.000 1.073 91 K HN 0.160 nan 8.250 nan 0.000 0.454 92 L N 4.936 126.142 121.223 -0.028 0.000 2.416 92 L HA 0.044 4.384 4.340 0.000 0.000 0.272 92 L C 1.049 177.946 176.870 0.046 0.000 1.161 92 L CA -0.376 54.428 54.840 -0.060 0.000 0.845 92 L CB 0.220 42.250 42.059 -0.047 0.000 1.119 92 L HN 0.754 nan 8.230 nan 0.000 0.464 93 F N 1.682 121.623 119.950 -0.015 0.000 2.126 93 F HA -0.214 4.313 4.527 0.000 0.000 0.299 93 F C 2.477 178.175 175.800 -0.171 0.000 1.096 93 F CA 1.618 59.597 58.000 -0.034 0.000 1.255 93 F CB -0.735 38.290 39.000 0.042 0.000 0.997 93 F HN 0.567 nan 8.300 nan 0.000 0.479 94 R N 0.386 120.883 120.500 -0.006 0.000 2.193 94 R HA -0.136 4.204 4.340 0.000 0.000 0.229 94 R C 1.463 177.715 176.300 -0.080 0.000 1.110 94 R CA 1.766 57.792 56.100 -0.123 0.000 0.988 94 R CB -0.574 29.613 30.300 -0.190 0.000 0.871 94 R HN 0.193 nan 8.270 nan 0.000 0.458 95 N N 0.657 119.338 118.700 -0.032 0.000 2.395 95 N HA 0.049 4.789 4.740 0.000 0.000 0.175 95 N C 1.749 177.260 175.510 0.001 0.000 1.029 95 N CA 0.861 53.901 53.050 -0.017 0.000 0.897 95 N CB 0.071 38.555 38.487 -0.006 0.000 0.991 95 N HN 0.283 nan 8.380 nan 0.000 0.441 96 I N 0.830 121.417 120.570 0.030 0.000 2.353 96 I HA -0.173 3.997 4.170 0.000 0.000 0.248 96 I C 1.895 178.012 176.117 -0.001 0.000 1.119 96 I CA 0.686 62.012 61.300 0.043 0.000 1.417 96 I CB -0.080 37.988 38.000 0.112 0.000 1.078 96 I HN -0.000 nan 8.210 nan 0.000 0.421 97 L N 0.302 121.485 121.223 -0.067 0.000 2.005 97 L HA -0.190 4.150 4.340 0.000 0.000 0.207 97 L C 2.586 179.425 176.870 -0.052 0.000 1.072 97 L CA 1.454 56.234 54.840 -0.101 0.000 0.744 97 L CB -0.637 41.282 42.059 -0.233 0.000 0.895 97 L HN 0.084 nan 8.230 nan 0.000 0.433 98 K N 0.260 120.629 120.400 -0.051 0.000 2.020 98 K HA -0.233 4.087 4.320 0.000 0.000 0.212 98 K C 1.971 178.564 176.600 -0.010 0.000 1.050 98 K CA 2.055 58.326 56.287 -0.027 0.000 0.929 98 K CB -0.235 32.250 32.500 -0.025 0.000 0.714 98 K HN 0.467 nan 8.250 nan 0.000 0.443 99 E N 0.751 120.948 120.200 -0.005 0.000 2.204 99 E HA -0.176 4.174 4.350 0.000 0.000 0.195 99 E C 1.140 177.743 176.600 0.007 0.000 0.990 99 E CA 0.916 57.318 56.400 0.003 0.000 0.821 99 E CB -0.120 29.586 29.700 0.010 0.000 0.750 99 E HN 0.357 nan 8.360 nan 0.000 0.477 100 K N 0.470 120.875 120.400 0.007 0.000 2.591 100 K HA 0.118 4.438 4.320 0.000 0.000 0.197 100 K C 0.844 177.450 176.600 0.010 0.000 1.026 100 K CA 0.465 56.760 56.287 0.013 0.000 1.127 100 K CB 0.167 32.681 32.500 0.023 0.000 0.871 100 K HN 0.237 nan 8.250 nan 0.000 0.507 101 G N 1.866 110.670 108.800 0.005 0.000 2.137 101 G HA2 -0.252 3.708 3.960 0.000 0.000 0.237 101 G HA3 -0.252 3.708 3.960 0.000 0.000 0.237 101 G C -0.037 174.866 174.900 0.005 0.000 1.002 101 G CA -0.317 44.786 45.100 0.005 0.000 0.702 101 G HN 0.338 nan 8.290 nan 0.000 0.515 102 I N 1.083 121.654 120.570 0.003 0.000 2.339 102 I HA 0.339 4.509 4.170 0.000 0.000 0.290 102 I C 0.974 177.104 176.117 0.022 0.000 0.994 102 I CA -1.228 60.078 61.300 0.010 0.000 1.191 102 I CB 1.664 39.668 38.000 0.007 0.000 1.343 102 I HN -0.113 nan 8.210 nan 0.000 0.458 103 V N 7.162 127.108 119.914 0.054 0.000 2.763 103 V HA 0.051 4.171 4.120 0.000 0.000 0.306 103 V C 0.322 176.519 176.094 0.171 0.000 1.059 103 V CA -0.247 62.123 62.300 0.117 0.000 1.138 103 V CB 1.170 33.086 31.823 0.155 0.000 0.940 103 V HN 0.407 nan 8.190 nan 0.000 0.489 104 V N 3.711 123.665 119.914 0.067 0.000 2.417 104 V HA 0.743 4.863 4.120 0.000 0.000 0.291 104 V C 0.641 176.482 176.094 -0.423 0.000 1.024 104 V CA -0.089 62.140 62.300 -0.119 0.000 0.861 104 V CB 1.446 33.162 31.823 -0.178 0.000 0.985 104 V HN 1.041 nan 8.190 nan 0.000 0.436 105 G N 3.308 111.565 108.800 -0.906 0.000 2.509 105 G HA2 0.740 4.700 3.960 0.000 0.000 0.328 105 G HA3 0.740 4.700 3.960 0.000 0.000 0.328 105 G C -1.505 172.930 174.900 -0.775 0.000 1.194 105 G CA -0.504 43.624 45.100 -1.621 0.000 0.967 105 G HN 0.504 nan 8.290 nan 0.000 0.488 106 I N -0.577 119.619 120.570 -0.624 0.000 2.647 106 I HA 0.435 4.605 4.170 0.000 0.000 0.295 106 I C -0.200 175.764 176.117 -0.254 0.000 1.078 106 I CA -1.757 59.264 61.300 -0.465 0.000 1.048 106 I CB 2.144 39.675 38.000 -0.783 0.000 1.239 106 I HN 0.441 nan 8.210 nan 0.000 0.421 107 K N 6.826 127.153 120.400 -0.122 0.000 2.349 107 K HA 0.290 4.610 4.320 0.000 0.000 0.288 107 K C -0.348 176.258 176.600 0.011 0.000 1.058 107 K CA -0.047 56.237 56.287 -0.006 0.000 0.953 107 K CB 0.556 33.107 32.500 0.085 0.000 0.997 107 K HN 0.813 nan 8.250 nan 0.000 0.477 108 L N 2.599 123.858 121.223 0.060 0.000 2.642 108 L HA 0.062 4.402 4.340 0.000 0.000 0.233 108 L C 0.437 177.331 176.870 0.040 0.000 1.077 108 L CA -0.208 54.729 54.840 0.161 0.000 0.879 108 L CB 0.111 42.401 42.059 0.386 0.000 1.151 108 L HN 0.777 nan 8.230 nan 0.000 0.495 109 D N -0.311 119.923 120.400 -0.277 0.000 2.361 109 D HA -0.031 4.609 4.640 0.000 0.000 0.239 109 D C 0.134 176.158 176.300 -0.460 0.000 1.200 109 D CA 0.094 53.568 54.000 -0.878 0.000 0.915 109 D CB 0.657 40.672 40.800 -1.308 0.000 1.170 109 D HN -0.004 nan 8.370 nan 0.000 0.444 110 Q N 0.442 119.972 119.800 -0.450 0.000 2.227 110 Q HA 0.387 4.727 4.340 0.000 0.000 0.332 110 Q C -0.142 175.741 176.000 -0.194 0.000 0.878 110 Q CA -0.380 55.296 55.803 -0.213 0.000 1.120 110 Q CB 1.056 29.718 28.738 -0.126 0.000 1.315 110 Q HN 0.866 nan 8.270 nan 0.000 0.414 111 G N -0.059 108.593 108.800 -0.247 0.000 2.787 111 G HA2 -0.151 3.809 3.960 0.000 0.000 0.685 111 G HA3 -0.151 3.809 3.960 0.000 0.000 0.685 111 G C 0.052 174.857 174.900 -0.159 0.000 1.437 111 G CA -0.658 44.335 45.100 -0.179 0.000 0.872 111 G HN 0.389 nan 8.290 nan 0.000 0.566 112 G N -0.637 108.095 108.800 -0.113 0.000 2.539 112 G HA2 0.830 4.790 3.960 0.000 0.000 0.258 112 G HA3 0.830 4.790 3.960 0.000 0.000 0.258 112 G C 0.233 175.107 174.900 -0.044 0.000 1.202 112 G CA 0.550 45.605 45.100 -0.076 0.000 0.851 112 G HN 2.181 nan 8.290 nan 0.000 0.556 113 A N 2.523 125.331 122.820 -0.021 0.000 2.402 113 A HA 0.773 5.093 4.320 0.000 0.000 0.291 113 A C -2.636 174.950 177.584 0.003 0.000 1.051 113 A CA -1.364 50.670 52.037 -0.004 0.000 0.716 113 A CB 2.031 21.036 19.000 0.007 0.000 1.223 113 A HN 0.543 nan 8.150 nan 0.000 0.425 114 P HA 0.259 nan 4.420 nan 0.000 0.271 114 P C -0.871 176.435 177.300 0.011 0.000 1.216 114 P CA -0.085 63.018 63.100 0.005 0.000 0.776 114 P CB 0.895 32.597 31.700 0.004 0.000 0.881 115 L N 2.975 124.206 121.223 0.013 0.000 2.287 115 L HA 0.507 4.847 4.340 0.000 0.000 0.287 115 L C 0.430 177.309 176.870 0.015 0.000 1.022 115 L CA -0.767 54.083 54.840 0.017 0.000 0.814 115 L CB 0.717 42.787 42.059 0.019 0.000 1.217 115 L HN 0.444 nan 8.230 nan 0.000 0.420 116 A N 3.081 125.910 122.820 0.015 0.000 2.407 116 A HA 0.535 4.855 4.320 0.000 0.000 0.248 116 A C 1.032 178.624 177.584 0.014 0.000 1.082 116 A CA 0.338 52.383 52.037 0.013 0.000 0.785 116 A CB -0.125 18.883 19.000 0.013 0.000 1.020 116 A HN 1.515 nan 8.150 nan 0.000 0.489 117 G N 0.744 109.552 108.800 0.013 0.000 2.212 117 G HA2 -0.037 3.923 3.960 0.000 0.000 0.255 117 G HA3 -0.037 3.923 3.960 0.000 0.000 0.255 117 G C 0.124 175.034 174.900 0.016 0.000 1.062 117 G CA 0.509 45.617 45.100 0.014 0.000 0.815 117 G HN 1.295 nan 8.290 nan 0.000 0.497 118 T N -0.782 113.782 114.554 0.016 0.000 2.883 118 T HA 0.496 4.846 4.350 0.000 0.000 0.301 118 T C -0.319 174.391 174.700 0.018 0.000 1.158 118 T CA -0.364 61.746 62.100 0.017 0.000 1.007 118 T CB 1.341 70.219 68.868 0.017 0.000 1.186 118 T HN 0.325 nan 8.240 nan 0.000 0.499 119 N N 2.186 120.898 118.700 0.020 0.000 3.034 119 N HA 0.213 4.953 4.740 0.000 0.000 0.265 119 N C -0.048 175.474 175.510 0.020 0.000 1.166 119 N CA 0.032 53.094 53.050 0.020 0.000 1.081 119 N CB -0.717 37.784 38.487 0.024 0.000 1.378 119 N HN 0.692 nan 8.380 nan 0.000 0.520 120 K N -0.095 120.315 120.400 0.017 0.000 3.434 120 K HA -0.166 4.154 4.320 0.000 0.000 0.303 120 K C -0.826 175.782 176.600 0.013 0.000 1.351 120 K CA 0.618 56.914 56.287 0.015 0.000 0.900 120 K CB -1.145 31.365 32.500 0.018 0.000 1.385 120 K HN 0.640 nan 8.250 nan 0.000 0.477 121 E N 1.001 121.209 120.200 0.014 0.000 2.349 121 E HA 0.272 4.622 4.350 0.000 0.000 0.265 121 E C 0.606 177.212 176.600 0.010 0.000 1.064 121 E CA 0.075 56.482 56.400 0.013 0.000 0.886 121 E CB 1.128 30.838 29.700 0.016 0.000 1.036 121 E HN 0.289 nan 8.360 nan 0.000 0.413 122 T N -1.115 113.444 114.554 0.008 0.000 2.907 122 T HA 0.532 4.882 4.350 0.000 0.000 0.290 122 T C 0.129 174.841 174.700 0.020 0.000 1.066 122 T CA -0.781 61.324 62.100 0.008 0.000 1.012 122 T CB 1.759 70.624 68.868 -0.006 0.000 1.184 122 T HN 0.345 nan 8.240 nan 0.000 0.522 123 T N 0.759 115.330 114.554 0.028 0.000 2.849 123 T HA 0.707 5.057 4.350 0.000 0.000 0.272 123 T C -0.602 174.127 174.700 0.049 0.000 1.046 123 T CA -0.814 61.320 62.100 0.056 0.000 0.983 123 T CB 0.475 69.391 68.868 0.079 0.000 1.721 123 T HN 0.614 nan 8.240 nan 0.000 0.594 124 I N 1.177 121.813 120.570 0.112 0.000 2.569 124 I HA 0.314 4.484 4.170 0.000 0.000 0.290 124 I C -0.304 175.882 176.117 0.114 0.000 1.088 124 I CA -0.657 60.665 61.300 0.036 0.000 1.047 124 I CB 2.002 40.000 38.000 -0.002 0.000 1.237 124 I HN 0.650 nan 8.210 nan 0.000 0.421 125 Q N 3.045 122.823 119.800 -0.038 0.000 2.260 125 Q HA 0.647 4.987 4.340 0.000 0.000 0.238 125 Q C 0.673 176.629 176.000 -0.073 0.000 0.948 125 Q CA -0.303 55.508 55.803 0.012 0.000 0.895 125 Q CB 1.990 30.710 28.738 -0.031 0.000 1.218 125 Q HN 0.991 nan 8.270 nan 0.000 0.470 126 G N 0.365 109.233 108.800 0.113 0.000 2.870 126 G HA2 -0.152 3.808 3.960 0.000 0.000 0.216 126 G HA3 -0.152 3.808 3.960 0.000 0.000 0.216 126 G C 0.422 175.522 174.900 0.333 0.000 0.973 126 G CA -0.421 44.758 45.100 0.132 0.000 0.807 126 G HN 0.502 nan 8.290 nan 0.000 0.573 127 L N 0.808 122.235 121.223 0.341 0.000 2.418 127 L HA 0.252 4.592 4.340 0.000 0.000 0.218 127 L C 0.519 177.490 176.870 0.167 0.000 1.125 127 L CA 0.043 55.046 54.840 0.272 0.000 0.835 127 L CB -0.137 42.035 42.059 0.189 0.000 0.953 127 L HN 0.023 nan 8.230 nan 0.000 0.454 128 D N 1.212 121.691 120.400 0.133 0.000 2.458 128 D HA 0.170 4.810 4.640 0.000 0.000 0.243 128 D C 1.242 177.589 176.300 0.078 0.000 1.146 128 D CA 1.237 55.288 54.000 0.084 0.000 0.877 128 D CB 1.071 41.909 40.800 0.063 0.000 1.176 128 D HN 0.267 nan 8.370 nan 0.000 0.461 129 G N 2.115 110.952 108.800 0.061 0.000 2.187 129 G HA2 -0.337 3.623 3.960 0.000 0.000 0.261 129 G HA3 -0.337 3.623 3.960 0.000 0.000 0.261 129 G C 1.038 175.978 174.900 0.067 0.000 1.000 129 G CA 0.576 45.705 45.100 0.048 0.000 0.718 129 G HN 0.497 nan 8.290 nan 0.000 0.519 130 L N 0.893 122.181 121.223 0.109 0.000 2.017 130 L HA 0.091 4.431 4.340 0.000 0.000 0.208 130 L C 2.707 179.647 176.870 0.117 0.000 1.073 130 L CA 3.051 57.984 54.840 0.156 0.000 0.745 130 L CB -0.979 41.207 42.059 0.212 0.000 0.894 130 L HN 0.256 nan 8.230 nan 0.000 0.432 131 S N -0.547 115.201 115.700 0.080 0.000 2.365 131 S HA -0.223 4.247 4.470 0.000 0.000 0.225 131 S C 1.750 176.371 174.600 0.036 0.000 1.039 131 S CA 1.720 59.953 58.200 0.055 0.000 1.033 131 S CB -0.201 63.022 63.200 0.038 0.000 0.887 131 S HN 0.565 nan 8.310 nan 0.000 0.447 132 E N 0.722 120.932 120.200 0.017 0.000 2.107 132 E HA -0.010 4.340 4.350 0.000 0.000 0.191 132 E C 2.226 178.792 176.600 -0.055 0.000 0.982 132 E CA 0.823 57.215 56.400 -0.014 0.000 0.809 132 E CB -0.145 29.543 29.700 -0.020 0.000 0.756 132 E HN 0.385 nan 8.360 nan 0.000 0.459 133 R N -0.233 120.236 120.500 -0.051 0.000 2.092 133 R HA -0.017 4.323 4.340 0.000 0.000 0.231 133 R C 2.305 178.526 176.300 -0.132 0.000 1.119 133 R CA 1.205 57.200 56.100 -0.174 0.000 0.970 133 R CB -0.602 29.671 30.300 -0.045 0.000 0.864 133 R HN 0.209 nan 8.270 nan 0.000 0.440 134 C N 0.221 119.581 119.300 0.101 0.000 2.413 134 C HA -0.111 4.349 4.460 0.000 0.000 0.277 134 C C 2.948 178.005 174.990 0.113 0.000 1.228 134 C CA 1.026 60.166 59.018 0.204 0.000 1.731 134 C CB -0.966 26.867 27.740 0.156 0.000 2.042 134 C HN 0.624 nan 8.230 nan 0.000 0.468 135 A N -0.217 122.628 122.820 0.042 0.000 1.978 135 A HA -0.260 4.060 4.320 0.000 0.000 0.220 135 A C 2.033 179.624 177.584 0.013 0.000 1.170 135 A CA 2.295 54.349 52.037 0.029 0.000 0.636 135 A CB -0.640 18.366 19.000 0.010 0.000 0.810 135 A HN 0.666 nan 8.150 nan 0.000 0.448 136 Q N -1.065 118.705 119.800 -0.051 0.000 2.016 136 Q HA -0.161 4.179 4.340 0.000 0.000 0.200 136 Q C 1.754 177.758 176.000 0.006 0.000 0.978 136 Q CA 2.035 57.796 55.803 -0.069 0.000 0.833 136 Q CB -0.663 27.974 28.738 -0.168 0.000 0.895 136 Q HN 0.630 nan 8.270 nan 0.000 0.427 137 Y N 0.691 121.033 120.300 0.069 0.000 2.151 137 Y HA -0.206 4.344 4.550 0.000 0.000 0.284 137 Y C 2.246 178.148 175.900 0.004 0.000 1.166 137 Y CA 1.665 59.788 58.100 0.038 0.000 1.163 137 Y CB -0.682 37.794 38.460 0.026 0.000 0.974 137 Y HN 0.161 nan 8.280 nan 0.000 0.511 138 K N 0.854 121.367 120.400 0.188 0.000 2.097 138 K HA -0.140 4.180 4.320 0.000 0.000 0.206 138 K C 1.837 178.479 176.600 0.070 0.000 1.049 138 K CA 1.521 57.869 56.287 0.103 0.000 0.933 138 K CB -0.223 32.325 32.500 0.080 0.000 0.717 138 K HN 0.141 nan 8.250 nan 0.000 0.442 139 K N -0.013 120.426 120.400 0.065 0.000 2.362 139 K HA -0.080 4.240 4.320 0.000 0.000 0.200 139 K C 0.312 176.942 176.600 0.050 0.000 1.046 139 K CA 1.158 57.472 56.287 0.046 0.000 0.952 139 K CB 0.140 32.661 32.500 0.036 0.000 0.753 139 K HN 0.175 nan 8.250 nan 0.000 0.466 140 D N -1.046 119.396 120.400 0.071 0.000 2.363 140 D HA 0.100 4.740 4.640 0.000 0.000 0.214 140 D C 0.690 176.990 176.300 -0.000 0.000 1.093 140 D CA 0.384 54.417 54.000 0.055 0.000 0.837 140 D CB 1.136 42.000 40.800 0.106 0.000 0.948 140 D HN 0.326 nan 8.370 nan 0.000 0.507 141 G N 0.011 108.817 108.800 0.009 0.000 2.163 141 G HA2 -0.239 3.721 3.960 0.000 0.000 0.213 141 G HA3 -0.239 3.721 3.960 0.000 0.000 0.213 141 G C 0.266 175.143 174.900 -0.038 0.000 0.991 141 G CA -0.046 45.043 45.100 -0.018 0.000 0.653 141 G HN 0.232 nan 8.290 nan 0.000 0.518 142 V N 1.042 120.938 119.914 -0.030 0.000 2.567 142 V HA 0.479 4.599 4.120 0.000 0.000 0.289 142 V C 0.571 176.656 176.094 -0.016 0.000 1.049 142 V CA 0.040 62.289 62.300 -0.085 0.000 0.969 142 V CB 1.715 33.452 31.823 -0.143 0.000 0.995 142 V HN 0.212 nan 8.190 nan 0.000 0.471 143 D N 2.624 123.033 120.400 0.014 0.000 2.469 143 D HA 0.233 4.873 4.640 0.000 0.000 0.213 143 D C -0.275 176.162 176.300 0.229 0.000 1.135 143 D CA 0.531 54.600 54.000 0.115 0.000 0.834 143 D CB 0.871 41.758 40.800 0.145 0.000 1.009 143 D HN 0.521 nan 8.370 nan 0.000 0.507 144 F N -1.304 118.641 119.950 -0.008 0.000 2.713 144 F HA 0.689 5.216 4.527 0.000 0.000 0.311 144 F C -0.415 175.396 175.800 0.019 0.000 1.141 144 F CA -1.237 56.767 58.000 0.007 0.000 0.939 144 F CB 1.080 40.080 39.000 0.000 0.000 1.325 144 F HN -0.218 nan 8.300 nan 0.000 0.453 145 G N 0.959 109.896 108.800 0.229 0.000 2.685 145 G HA2 0.639 4.599 3.960 0.000 0.000 0.298 145 G HA3 0.639 4.599 3.960 0.000 0.000 0.298 145 G C -2.111 172.996 174.900 0.345 0.000 1.277 145 G CA -1.031 44.178 45.100 0.182 0.000 0.986 145 G HN 0.699 nan 8.290 nan 0.000 0.487 146 K N -0.116 120.459 120.400 0.293 0.000 2.501 146 K HA 0.349 4.669 4.320 0.000 0.000 0.252 146 K C -2.276 174.397 176.600 0.121 0.000 0.934 146 K CA -0.777 55.666 56.287 0.259 0.000 0.797 146 K CB 2.529 35.132 32.500 0.172 0.000 1.270 146 K HN 0.586 nan 8.250 nan 0.000 0.431 147 W N 6.132 127.279 121.300 -0.256 0.000 2.687 147 W HA 0.369 5.029 4.660 0.000 0.000 0.328 147 W C -1.355 174.995 176.519 -0.282 0.000 1.012 147 W CA -0.561 56.467 57.345 -0.530 0.000 1.262 147 W CB 1.070 29.653 29.460 -1.461 0.000 1.331 147 W HN 0.652 nan 8.180 nan 0.000 0.433 148 R N 4.228 124.592 120.500 -0.227 0.000 2.294 148 R HA 0.670 5.010 4.340 0.000 0.000 0.319 148 R C -0.585 175.671 176.300 -0.073 0.000 0.984 148 R CA -0.116 55.935 56.100 -0.082 0.000 0.861 148 R CB 1.217 31.448 30.300 -0.116 0.000 1.104 148 R HN 0.436 nan 8.270 nan 0.000 0.451 149 A N 3.868 126.730 122.820 0.070 0.000 2.312 149 A HA 0.537 4.857 4.320 0.000 0.000 0.326 149 A C -0.888 176.701 177.584 0.009 0.000 1.172 149 A CA -0.648 51.428 52.037 0.066 0.000 0.821 149 A CB 1.611 20.679 19.000 0.113 0.000 1.166 149 A HN 0.509 nan 8.150 nan 0.000 0.493 150 V N 3.177 123.086 119.914 -0.009 0.000 2.384 150 V HA 0.450 4.570 4.120 0.000 0.000 0.287 150 V C -0.496 175.595 176.094 -0.005 0.000 1.020 150 V CA -0.139 62.150 62.300 -0.019 0.000 0.850 150 V CB 0.942 32.740 31.823 -0.042 0.000 0.987 150 V HN 0.737 nan 8.190 nan 0.000 0.436 151 L N 6.211 127.432 121.223 -0.003 0.000 2.365 151 L HA 0.776 5.116 4.340 0.000 0.000 0.273 151 L C -0.326 176.540 176.870 -0.006 0.000 1.000 151 L CA -0.636 54.203 54.840 -0.002 0.000 0.819 151 L CB 2.148 44.205 42.059 -0.004 0.000 1.284 151 L HN 0.647 nan 8.230 nan 0.000 0.418 152 R N 2.753 123.250 120.500 -0.004 0.000 2.888 152 R HA 0.711 5.051 4.340 0.000 0.000 0.266 152 R C -1.089 175.189 176.300 -0.036 0.000 1.020 152 R CA -0.719 55.378 56.100 -0.004 0.000 0.963 152 R CB 1.147 31.465 30.300 0.029 0.000 1.197 152 R HN 0.390 nan 8.270 nan 0.000 0.481 153 I N 1.354 121.875 120.570 -0.081 0.000 2.304 153 I HA 0.697 4.867 4.170 0.000 0.000 0.291 153 I C -0.208 175.907 176.117 -0.003 0.000 1.018 153 I CA -0.258 60.956 61.300 -0.143 0.000 1.260 153 I CB 1.145 38.837 38.000 -0.513 0.000 1.390 153 I HN 0.840 nan 8.210 nan 0.000 0.475 154 A N 4.646 127.486 122.820 0.034 0.000 2.483 154 A HA 0.291 4.611 4.320 0.000 0.000 0.294 154 A C -1.233 176.390 177.584 0.065 0.000 1.077 154 A CA -0.742 51.337 52.037 0.069 0.000 0.633 154 A CB 0.732 19.766 19.000 0.058 0.000 1.318 154 A HN 0.560 nan 8.150 nan 0.000 0.455 155 D N 1.136 121.572 120.400 0.060 0.000 2.660 155 D HA 0.097 4.737 4.640 0.000 0.000 0.253 155 D C 0.483 176.808 176.300 0.042 0.000 1.256 155 D CA 1.733 55.762 54.000 0.048 0.000 0.914 155 D CB -0.330 40.493 40.800 0.039 0.000 1.137 155 D HN 0.549 nan 8.370 nan 0.000 0.542 156 Q N 0.649 120.475 119.800 0.043 0.000 2.494 156 Q HA -0.227 4.113 4.340 0.000 0.000 0.266 156 Q C -0.807 175.215 176.000 0.037 0.000 1.053 156 Q CA 0.625 56.451 55.803 0.039 0.000 1.029 156 Q CB -1.859 26.898 28.738 0.031 0.000 1.423 156 Q HN 0.481 nan 8.270 nan 0.000 0.516 157 C N 0.466 119.790 119.300 0.040 0.000 2.498 157 C HA 0.579 5.039 4.460 0.000 0.000 0.316 157 C C -2.239 172.766 174.990 0.026 0.000 1.209 157 C CA -1.413 57.623 59.018 0.030 0.000 1.518 157 C CB 1.594 29.351 27.740 0.027 0.000 2.147 157 C HN 0.146 nan 8.230 nan 0.000 0.483 158 P HA 0.244 nan 4.420 nan 0.000 0.293 158 P C -0.326 176.995 177.300 0.034 0.000 1.300 158 P CA 0.148 63.261 63.100 0.021 0.000 0.792 158 P CB 1.020 32.726 31.700 0.011 0.000 0.925 159 S N 1.800 117.518 115.700 0.030 0.000 2.593 159 S HA 0.116 4.586 4.470 0.000 0.000 0.269 159 S C 1.367 175.985 174.600 0.030 0.000 1.334 159 S CA -0.236 57.984 58.200 0.033 0.000 1.015 159 S CB -0.004 63.213 63.200 0.027 0.000 0.912 159 S HN 0.352 nan 8.310 nan 0.000 0.541 160 S N 1.016 116.736 115.700 0.032 0.000 2.392 160 S HA -0.173 4.297 4.470 0.000 0.000 0.232 160 S C 1.645 176.258 174.600 0.022 0.000 1.041 160 S CA 1.469 59.685 58.200 0.027 0.000 1.026 160 S CB -0.808 62.408 63.200 0.027 0.000 0.845 160 S HN 0.680 nan 8.310 nan 0.000 0.465 161 L N 1.774 123.010 121.223 0.022 0.000 2.017 161 L HA 0.006 4.346 4.340 0.000 0.000 0.208 161 L C 2.443 179.324 176.870 0.020 0.000 1.073 161 L CA 1.857 56.709 54.840 0.021 0.000 0.745 161 L CB -1.051 41.020 42.059 0.021 0.000 0.894 161 L HN 0.246 nan 8.230 nan 0.000 0.432 162 A N -0.213 122.619 122.820 0.020 0.000 1.877 162 A HA -0.188 4.132 4.320 0.000 0.000 0.216 162 A C 2.277 179.871 177.584 0.016 0.000 1.186 162 A CA 2.188 54.236 52.037 0.020 0.000 0.620 162 A CB -0.904 18.108 19.000 0.019 0.000 0.822 162 A HN 0.510 nan 8.150 nan 0.000 0.443 163 I N -0.604 119.974 120.570 0.013 0.000 2.202 163 I HA -0.300 3.870 4.170 0.000 0.000 0.242 163 I C 2.864 178.980 176.117 -0.002 0.000 1.091 163 I CA 1.829 63.132 61.300 0.005 0.000 1.368 163 I CB -0.470 37.535 38.000 0.007 0.000 1.058 163 I HN 0.579 nan 8.210 nan 0.000 0.410 164 Q N 0.975 120.778 119.800 0.005 0.000 2.096 164 Q HA -0.304 4.036 4.340 0.000 0.000 0.204 164 Q C 2.076 178.076 176.000 -0.001 0.000 0.982 164 Q CA 2.186 57.990 55.803 0.002 0.000 0.850 164 Q CB -0.011 28.734 28.738 0.011 0.000 0.901 164 Q HN 0.344 nan 8.270 nan 0.000 0.422 165 E N 0.651 120.857 120.200 0.009 0.000 2.051 165 E HA -0.098 4.252 4.350 0.000 0.000 0.189 165 E C 1.673 178.280 176.600 0.011 0.000 0.979 165 E CA 1.357 57.766 56.400 0.015 0.000 0.803 165 E CB -0.302 29.414 29.700 0.026 0.000 0.761 165 E HN 0.397 nan 8.360 nan 0.000 0.451 166 N N 0.526 119.239 118.700 0.021 0.000 2.149 166 N HA -0.191 4.549 4.740 0.000 0.000 0.188 166 N C 1.618 177.110 175.510 -0.029 0.000 1.019 166 N CA 1.444 54.515 53.050 0.034 0.000 0.857 166 N CB -0.229 38.281 38.487 0.039 0.000 0.997 166 N HN 0.280 nan 8.380 nan 0.000 0.426 167 A N 2.128 124.914 122.820 -0.057 0.000 1.845 167 A HA -0.136 4.184 4.320 0.000 0.000 0.215 167 A C 2.032 179.500 177.584 -0.193 0.000 1.195 167 A CA 1.277 53.243 52.037 -0.119 0.000 0.616 167 A CB -0.611 18.332 19.000 -0.096 0.000 0.832 167 A HN 0.279 nan 8.150 nan 0.000 0.443 168 N N 0.417 119.025 118.700 -0.153 0.000 2.205 168 N HA -0.153 4.587 4.740 0.000 0.000 0.186 168 N C 1.866 177.205 175.510 -0.286 0.000 1.015 168 N CA 1.465 54.370 53.050 -0.241 0.000 0.862 168 N CB -0.449 38.013 38.487 -0.042 0.000 0.986 168 N HN 0.505 nan 8.380 nan 0.000 0.429 169 A N 1.164 123.877 122.820 -0.178 0.000 1.930 169 A HA -0.040 4.280 4.320 0.000 0.000 0.217 169 A C 2.377 179.634 177.584 -0.544 0.000 1.175 169 A CA 0.788 52.685 52.037 -0.233 0.000 0.627 169 A CB -0.616 18.359 19.000 -0.042 0.000 0.815 169 A HN 0.179 nan 8.150 nan 0.000 0.443 170 L N -0.793 120.147 121.223 -0.472 0.000 2.131 170 L HA -0.171 4.169 4.340 0.000 0.000 0.210 170 L C 3.010 179.657 176.870 -0.372 0.000 1.092 170 L CA 0.987 55.508 54.840 -0.533 0.000 0.759 170 L CB -0.377 41.501 42.059 -0.302 0.000 0.903 170 L HN 0.433 nan 8.230 nan 0.000 0.435 171 A N -0.359 122.190 122.820 -0.451 0.000 1.855 171 A HA -0.155 4.165 4.320 0.000 0.000 0.215 171 A C 2.384 179.689 177.584 -0.464 0.000 1.191 171 A CA 1.105 52.811 52.037 -0.550 0.000 0.613 171 A CB -0.355 18.049 19.000 -0.993 0.000 0.829 171 A HN 0.203 nan 8.150 nan 0.000 0.442 172 R N -1.319 118.935 120.500 -0.409 0.000 2.091 172 R HA -0.185 4.155 4.340 0.000 0.000 0.238 172 R C 2.095 178.294 176.300 -0.168 0.000 1.136 172 R CA 1.865 57.874 56.100 -0.151 0.000 0.959 172 R CB -1.197 29.041 30.300 -0.104 0.000 0.856 172 R HN 0.784 nan 8.270 nan 0.000 0.437 173 Y N 1.190 121.216 120.300 -0.456 0.000 2.128 173 Y HA -0.233 4.317 4.550 0.000 0.000 0.284 173 Y C 2.222 178.004 175.900 -0.196 0.000 1.154 173 Y CA 1.527 59.382 58.100 -0.408 0.000 1.149 173 Y CB -0.536 37.349 38.460 -0.958 0.000 0.976 173 Y HN 0.059 nan 8.280 nan 0.000 0.505 174 A N -0.288 122.125 122.820 -0.678 0.000 1.858 174 A HA -0.215 4.105 4.320 0.000 0.000 0.216 174 A C 2.540 179.948 177.584 -0.293 0.000 1.190 174 A CA 2.129 53.833 52.037 -0.555 0.000 0.617 174 A CB -1.650 17.180 19.000 -0.284 0.000 0.827 174 A HN 0.559 nan 8.150 nan 0.000 0.443 175 S N -0.448 115.155 115.700 -0.162 0.000 2.380 175 S HA -0.192 4.278 4.470 0.000 0.000 0.229 175 S C 1.883 176.453 174.600 -0.050 0.000 1.043 175 S CA 1.787 59.957 58.200 -0.050 0.000 1.038 175 S CB -0.597 62.619 63.200 0.028 0.000 0.872 175 S HN 0.460 nan 8.310 nan 0.000 0.456 176 I N 0.873 121.398 120.570 -0.075 0.000 2.133 176 I HA -0.201 3.969 4.170 0.000 0.000 0.238 176 I C 2.579 178.668 176.117 -0.046 0.000 1.074 176 I CA 1.157 62.436 61.300 -0.036 0.000 1.342 176 I CB -0.666 37.333 38.000 -0.001 0.000 1.053 176 I HN 0.401 nan 8.210 nan 0.000 0.404 177 C N 0.339 119.567 119.300 -0.120 0.000 2.403 177 C HA -0.205 4.255 4.460 0.000 0.000 0.277 177 C C 2.765 177.734 174.990 -0.036 0.000 1.248 177 C CA 0.808 59.785 59.018 -0.067 0.000 1.762 177 C CB -1.426 26.224 27.740 -0.151 0.000 2.014 177 C HN 0.539 nan 8.230 nan 0.000 0.486 178 Q N -0.094 119.674 119.800 -0.053 0.000 2.167 178 Q HA -0.157 4.183 4.340 0.000 0.000 0.202 178 Q C 2.339 178.340 176.000 0.002 0.000 0.970 178 Q CA 0.972 56.772 55.803 -0.005 0.000 0.855 178 Q CB -0.204 28.546 28.738 0.021 0.000 0.911 178 Q HN 0.671 nan 8.270 nan 0.000 0.438 179 Q N 0.151 119.951 119.800 -0.000 0.000 2.437 179 Q HA -0.036 4.304 4.340 0.000 0.000 0.210 179 Q C 0.457 176.463 176.000 0.011 0.000 0.972 179 Q CA 0.748 56.553 55.803 0.005 0.000 0.903 179 Q CB 0.164 28.908 28.738 0.009 0.000 0.967 179 Q HN 0.373 nan 8.270 nan 0.000 0.486 180 N N -0.670 118.040 118.700 0.018 0.000 2.338 180 N HA 0.121 4.861 4.740 0.000 0.000 0.251 180 N C 0.309 175.842 175.510 0.038 0.000 1.199 180 N CA 0.520 53.588 53.050 0.030 0.000 0.879 180 N CB 1.405 39.920 38.487 0.046 0.000 1.159 180 N HN 0.227 nan 8.380 nan 0.000 0.514 181 G N 1.106 109.924 108.800 0.031 0.000 2.203 181 G HA2 -0.275 3.685 3.960 0.000 0.000 0.263 181 G HA3 -0.275 3.685 3.960 0.000 0.000 0.263 181 G C -0.053 174.881 174.900 0.056 0.000 1.012 181 G CA 0.223 45.346 45.100 0.037 0.000 0.749 181 G HN 0.310 nan 8.290 nan 0.000 0.512 182 L N 0.075 121.334 121.223 0.060 0.000 2.309 182 L HA 0.561 4.901 4.340 0.000 0.000 0.282 182 L C 0.573 177.493 176.870 0.083 0.000 1.036 182 L CA -1.118 53.772 54.840 0.084 0.000 0.806 182 L CB 1.928 44.038 42.059 0.084 0.000 1.220 182 L HN -0.080 nan 8.230 nan 0.000 0.429 183 V N 5.208 125.200 119.914 0.130 0.000 2.406 183 V HA 0.237 4.357 4.120 0.000 0.000 0.272 183 V C -1.948 174.217 176.094 0.118 0.000 1.043 183 V CA -1.461 60.899 62.300 0.099 0.000 0.915 183 V CB 1.483 33.352 31.823 0.077 0.000 0.988 183 V HN 0.568 nan 8.190 nan 0.000 0.466 184 P HA 0.306 nan 4.420 nan 0.000 0.282 184 P C -0.517 176.871 177.300 0.146 0.000 1.274 184 P CA -0.042 63.064 63.100 0.010 0.000 0.770 184 P CB 0.700 32.232 31.700 -0.280 0.000 0.867 185 I N 3.685 124.435 120.570 0.300 0.000 2.342 185 I HA 0.158 4.328 4.170 0.000 0.000 0.291 185 I C 0.331 176.612 176.117 0.273 0.000 1.010 185 I CA -0.756 60.671 61.300 0.210 0.000 1.308 185 I CB 1.348 39.475 38.000 0.212 0.000 1.400 185 I HN 0.008 nan 8.210 nan 0.000 0.488 186 V N 6.823 126.832 119.914 0.159 0.000 2.333 186 V HA 0.177 4.297 4.120 0.000 0.000 0.274 186 V C 0.200 176.327 176.094 0.056 0.000 1.028 186 V CA -0.372 62.006 62.300 0.131 0.000 0.851 186 V CB 1.161 32.976 31.823 -0.014 0.000 1.000 186 V HN 0.740 nan 8.190 nan 0.000 0.456 187 E N 8.095 128.345 120.200 0.082 0.000 2.256 187 E HA 0.389 4.739 4.350 0.000 0.000 0.243 187 E C -2.704 173.921 176.600 0.042 0.000 0.925 187 E CA -2.039 54.388 56.400 0.046 0.000 0.748 187 E CB 1.781 31.515 29.700 0.055 0.000 1.206 187 E HN 0.404 nan 8.360 nan 0.000 0.428 188 P HA 0.133 nan 4.420 nan 0.000 0.251 188 P C -0.912 176.396 177.300 0.013 0.000 1.718 188 P CA -0.133 62.971 63.100 0.007 0.000 1.119 188 P CB 0.303 31.987 31.700 -0.027 0.000 1.762 189 E N 2.462 122.673 120.200 0.017 0.000 2.289 189 E HA 0.214 4.564 4.350 0.000 0.000 0.278 189 E C -0.806 175.802 176.600 0.013 0.000 1.032 189 E CA -0.686 55.726 56.400 0.020 0.000 0.854 189 E CB 0.789 30.496 29.700 0.012 0.000 1.046 189 E HN 0.024 nan 8.360 nan 0.000 0.409 190 V N 6.891 126.815 119.914 0.018 0.000 2.304 190 V HA 0.094 4.214 4.120 0.000 0.000 0.262 190 V C 0.364 176.474 176.094 0.026 0.000 1.061 190 V CA -0.638 61.665 62.300 0.005 0.000 0.872 190 V CB 0.378 32.194 31.823 -0.012 0.000 1.077 190 V HN 0.730 nan 8.190 nan 0.000 0.480 191 I N 9.062 129.652 120.570 0.033 0.000 2.906 191 I HA 0.027 4.197 4.170 0.000 0.000 0.302 191 I C -0.569 175.640 176.117 0.153 0.000 1.220 191 I CA -1.113 60.233 61.300 0.078 0.000 1.441 191 I CB 0.858 38.890 38.000 0.054 0.000 1.336 191 I HN 0.456 nan 8.210 nan 0.000 0.565 192 P HA -0.016 nan 4.420 nan 0.000 0.241 192 P C -0.110 177.343 177.300 0.256 0.000 1.191 192 P CA 0.101 63.318 63.100 0.195 0.000 0.771 192 P CB 0.081 31.806 31.700 0.042 0.000 0.929 193 D N 0.826 121.447 120.400 0.368 0.000 2.531 193 D HA 0.343 4.983 4.640 0.000 0.000 0.239 193 D C 1.319 177.759 176.300 0.233 0.000 1.144 193 D CA 1.843 56.043 54.000 0.333 0.000 0.869 193 D CB -0.098 40.895 40.800 0.321 0.000 1.160 193 D HN 0.235 nan 8.370 nan 0.000 0.484 194 G N 2.075 110.945 108.800 0.116 0.000 2.347 194 G HA2 -0.101 3.859 3.960 0.000 0.000 0.341 194 G HA3 -0.101 3.859 3.960 0.000 0.000 0.341 194 G C 0.068 174.907 174.900 -0.103 0.000 1.287 194 G CA -0.617 44.525 45.100 0.069 0.000 0.984 194 G HN 0.348 nan 8.290 nan 0.000 0.526 195 D N -0.210 120.159 120.400 -0.051 0.000 2.271 195 D HA 0.049 4.689 4.640 0.000 0.000 0.206 195 D C 1.424 177.671 176.300 -0.089 0.000 0.967 195 D CA 0.857 54.826 54.000 -0.053 0.000 0.867 195 D CB -0.239 40.595 40.800 0.058 0.000 0.960 195 D HN 0.617 nan 8.370 nan 0.000 0.509 196 H N 0.538 119.658 119.070 0.084 0.000 2.998 196 H HA 0.075 4.631 4.556 0.000 0.000 0.353 196 H C -0.005 175.382 175.328 0.099 0.000 1.099 196 H CA -0.016 56.106 56.048 0.124 0.000 1.393 196 H CB 0.419 30.237 29.762 0.093 0.000 1.343 196 H HN 0.010 nan 8.280 nan 0.000 0.609 197 D N 1.918 122.466 120.400 0.246 0.000 2.451 197 D HA -0.023 4.617 4.640 0.000 0.000 0.259 197 D C 1.414 177.819 176.300 0.174 0.000 1.201 197 D CA -0.860 53.261 54.000 0.202 0.000 1.028 197 D CB 0.769 41.715 40.800 0.242 0.000 1.095 197 D HN 0.445 nan 8.370 nan 0.000 0.539 198 L N -0.394 120.827 121.223 -0.003 0.000 2.042 198 L HA -0.137 4.203 4.340 0.000 0.000 0.210 198 L C 2.024 178.899 176.870 0.007 0.000 1.076 198 L CA 1.887 56.607 54.840 -0.199 0.000 0.749 198 L CB -0.913 40.763 42.059 -0.638 0.000 0.893 198 L HN 0.649 nan 8.230 nan 0.000 0.432 199 E N -1.636 118.624 120.200 0.100 0.000 2.150 199 E HA -0.295 4.055 4.350 0.000 0.000 0.193 199 E C 2.060 178.790 176.600 0.216 0.000 0.985 199 E CA 1.040 57.524 56.400 0.139 0.000 0.814 199 E CB -0.104 29.674 29.700 0.129 0.000 0.752 199 E HN 0.654 nan 8.360 nan 0.000 0.466 200 H N 0.132 119.255 119.070 0.089 0.000 2.428 200 H HA -0.074 4.482 4.556 0.000 0.000 0.296 200 H C 2.217 177.578 175.328 0.055 0.000 1.062 200 H CA 1.418 57.505 56.048 0.065 0.000 1.350 200 H CB -0.704 29.096 29.762 0.064 0.000 1.403 200 H HN 0.269 nan 8.280 nan 0.000 0.533 201 C N 0.252 119.589 119.300 0.062 0.000 2.457 201 C HA -0.046 4.414 4.460 0.000 0.000 0.278 201 C C 2.722 177.728 174.990 0.027 0.000 1.309 201 C CA 1.349 60.339 59.018 -0.047 0.000 1.735 201 C CB -1.029 26.734 27.740 0.037 0.000 1.992 201 C HN 0.727 nan 8.230 nan 0.000 0.493 202 Q N -1.247 118.603 119.800 0.083 0.000 2.084 202 Q HA -0.262 4.078 4.340 0.000 0.000 0.202 202 Q C 2.085 178.157 176.000 0.119 0.000 0.978 202 Q CA 2.229 58.086 55.803 0.090 0.000 0.844 202 Q CB -0.557 28.238 28.738 0.096 0.000 0.898 202 Q HN 0.870 nan 8.270 nan 0.000 0.426 203 Y N 0.079 120.418 120.300 0.065 0.000 2.128 203 Y HA -0.250 4.300 4.550 0.000 0.000 0.284 203 Y C 2.036 177.966 175.900 0.050 0.000 1.154 203 Y CA 1.768 59.914 58.100 0.077 0.000 1.149 203 Y CB -0.209 38.328 38.460 0.128 0.000 0.976 203 Y HN -0.039 nan 8.280 nan 0.000 0.505 204 V N -0.377 119.675 119.914 0.230 0.000 2.407 204 V HA -0.311 3.809 4.120 0.000 0.000 0.248 204 V C 2.158 178.253 176.094 0.003 0.000 1.055 204 V CA 2.427 64.780 62.300 0.089 0.000 1.049 204 V CB -0.905 30.901 31.823 -0.029 0.000 0.662 204 V HN 0.527 nan 8.190 nan 0.000 0.455 205 T N -0.680 113.876 114.554 0.004 0.000 2.904 205 T HA -0.118 4.232 4.350 0.000 0.000 0.267 205 T C 1.734 176.434 174.700 -0.001 0.000 1.059 205 T CA 1.169 63.272 62.100 0.006 0.000 1.137 205 T CB -0.140 68.744 68.868 0.027 0.000 0.879 205 T HN 0.588 nan 8.240 nan 0.000 0.467 206 E N 1.078 121.263 120.200 -0.025 0.000 2.152 206 E HA -0.108 4.242 4.350 0.000 0.000 0.192 206 E C 2.194 178.746 176.600 -0.080 0.000 0.983 206 E CA 0.782 57.156 56.400 -0.044 0.000 0.818 206 E CB -0.052 29.607 29.700 -0.068 0.000 0.758 206 E HN 0.480 nan 8.360 nan 0.000 0.467 207 K N 1.211 121.530 120.400 -0.134 0.000 2.001 207 K HA -0.128 4.192 4.320 0.000 0.000 0.208 207 K C 2.065 178.641 176.600 -0.039 0.000 1.048 207 K CA 1.256 57.478 56.287 -0.109 0.000 0.932 207 K CB -0.127 32.291 32.500 -0.136 0.000 0.715 207 K HN -0.081 nan 8.250 nan 0.000 0.437 208 V N 1.998 121.898 119.914 -0.023 0.000 2.392 208 V HA -0.250 3.870 4.120 0.000 0.000 0.249 208 V C 2.356 178.448 176.094 -0.004 0.000 1.059 208 V CA 1.720 64.013 62.300 -0.012 0.000 1.051 208 V CB -0.417 31.401 31.823 -0.009 0.000 0.658 208 V HN 0.344 nan 8.190 nan 0.000 0.455 209 L N -0.108 121.128 121.223 0.021 0.000 2.093 209 L HA -0.092 4.248 4.340 0.000 0.000 0.208 209 L C 2.733 179.678 176.870 0.124 0.000 1.085 209 L CA 1.410 56.298 54.840 0.081 0.000 0.755 209 L CB -0.856 41.280 42.059 0.129 0.000 0.904 209 L HN 0.350 nan 8.230 nan 0.000 0.435 210 A N 0.329 123.191 122.820 0.069 0.000 1.933 210 A HA -0.144 4.176 4.320 0.000 0.000 0.218 210 A C 2.561 180.176 177.584 0.053 0.000 1.175 210 A CA 1.643 53.722 52.037 0.071 0.000 0.628 210 A CB -0.623 18.390 19.000 0.022 0.000 0.814 210 A HN 0.385 nan 8.150 nan 0.000 0.444 211 A N -0.553 122.275 122.820 0.014 0.000 1.933 211 A HA -0.013 4.307 4.320 0.000 0.000 0.218 211 A C 2.228 179.791 177.584 -0.036 0.000 1.175 211 A CA 1.780 53.814 52.037 -0.005 0.000 0.628 211 A CB -0.892 18.097 19.000 -0.018 0.000 0.814 211 A HN 0.368 nan 8.150 nan 0.000 0.444 212 V N -1.563 118.306 119.914 -0.076 0.000 2.295 212 V HA -0.283 3.837 4.120 0.000 0.000 0.246 212 V C 2.376 178.300 176.094 -0.283 0.000 1.049 212 V CA 2.122 64.292 62.300 -0.216 0.000 1.024 212 V CB -0.943 30.685 31.823 -0.325 0.000 0.648 212 V HN 0.670 nan 8.190 nan 0.000 0.447 213 Y N 0.203 120.481 120.300 -0.037 0.000 2.263 213 Y HA -0.126 4.424 4.550 0.000 0.000 0.292 213 Y C 2.443 178.332 175.900 -0.019 0.000 1.130 213 Y CA 1.640 59.723 58.100 -0.030 0.000 1.179 213 Y CB -0.377 38.070 38.460 -0.021 0.000 0.998 213 Y HN 0.148 nan 8.280 nan 0.000 0.532 214 K N 0.952 121.425 120.400 0.122 0.000 2.097 214 K HA -0.095 4.225 4.320 0.000 0.000 0.206 214 K C 2.077 178.701 176.600 0.039 0.000 1.049 214 K CA 1.450 57.778 56.287 0.070 0.000 0.933 214 K CB -0.704 31.825 32.500 0.048 0.000 0.717 214 K HN 0.179 nan 8.250 nan 0.000 0.442 215 A N 0.667 123.486 122.820 -0.001 0.000 1.858 215 A HA -0.107 4.213 4.320 0.000 0.000 0.216 215 A C 2.063 179.646 177.584 -0.003 0.000 1.190 215 A CA 1.562 53.594 52.037 -0.008 0.000 0.617 215 A CB -0.810 18.130 19.000 -0.100 0.000 0.827 215 A HN 0.282 nan 8.150 nan 0.000 0.443 216 L N 0.949 122.124 121.223 -0.080 0.000 2.089 216 L HA -0.240 4.100 4.340 0.000 0.000 0.213 216 L C 2.351 179.239 176.870 0.031 0.000 1.079 216 L CA 2.077 56.880 54.840 -0.061 0.000 0.758 216 L CB -1.059 40.954 42.059 -0.077 0.000 0.891 216 L HN 0.596 nan 8.230 nan 0.000 0.433 217 N N -0.520 118.212 118.700 0.055 0.000 2.106 217 N HA -0.185 4.555 4.740 0.000 0.000 0.188 217 N C 1.355 176.853 175.510 -0.020 0.000 1.029 217 N CA 1.490 54.574 53.050 0.056 0.000 0.848 217 N CB 0.038 38.567 38.487 0.069 0.000 1.007 217 N HN 0.332 nan 8.380 nan 0.000 0.423 218 D N 0.125 120.511 120.400 -0.023 0.000 2.149 218 D HA -0.139 4.501 4.640 0.000 0.000 0.198 218 D C 0.891 176.954 176.300 -0.394 0.000 0.990 218 D CA 1.079 54.996 54.000 -0.139 0.000 0.839 218 D CB -0.581 40.204 40.800 -0.026 0.000 0.948 218 D HN 0.529 nan 8.370 nan 0.000 0.460 219 H N -0.460 118.429 119.070 -0.303 0.000 2.592 219 H HA 0.064 4.620 4.556 0.000 0.000 0.291 219 H C -0.076 175.095 175.328 -0.262 0.000 1.052 219 H CA -0.016 55.843 56.048 -0.315 0.000 1.175 219 H CB -0.317 29.359 29.762 -0.143 0.000 1.378 219 H HN 0.430 nan 8.280 nan 0.000 0.576 220 H N -1.796 117.341 119.070 0.112 0.000 2.822 220 H HA -0.151 4.405 4.556 0.000 0.000 0.295 220 H C 0.227 175.617 175.328 0.102 0.000 1.151 220 H CA -0.009 56.095 56.048 0.094 0.000 1.151 220 H CB -1.745 28.060 29.762 0.070 0.000 1.343 220 H HN 0.088 nan 8.280 nan 0.000 0.382 221 V N 0.318 120.327 119.914 0.159 0.000 2.924 221 V HA -0.062 4.058 4.120 0.000 0.000 0.305 221 V C 0.551 176.754 176.094 0.183 0.000 1.073 221 V CA 0.060 62.438 62.300 0.131 0.000 1.098 221 V CB 0.477 32.330 31.823 0.050 0.000 1.000 221 V HN 0.316 nan 8.190 nan 0.000 0.484 222 Y N 4.034 124.359 120.300 0.041 0.000 2.676 222 Y HA 0.355 4.905 4.550 0.000 0.000 0.338 222 Y C 0.914 176.839 175.900 0.041 0.000 1.057 222 Y CA -0.486 57.639 58.100 0.041 0.000 1.314 222 Y CB 0.077 38.554 38.460 0.028 0.000 1.164 222 Y HN 0.592 nan 8.280 nan 0.000 0.509 223 L N 2.807 123.928 121.223 -0.168 0.000 2.089 223 L HA -0.276 4.064 4.340 0.000 0.000 0.213 223 L C 1.494 178.170 176.870 -0.324 0.000 1.079 223 L CA 1.771 56.514 54.840 -0.163 0.000 0.758 223 L CB -0.194 41.817 42.059 -0.080 0.000 0.891 223 L HN 0.564 nan 8.230 nan 0.000 0.433 224 E N -0.146 119.627 120.200 -0.712 0.000 2.409 224 E HA -0.070 4.280 4.350 0.000 0.000 0.198 224 E C 1.361 177.745 176.600 -0.360 0.000 1.024 224 E CA 0.843 56.905 56.400 -0.563 0.000 0.861 224 E CB -0.135 29.224 29.700 -0.569 0.000 0.788 224 E HN 0.421 nan 8.360 nan 0.000 0.521 225 G N -0.124 108.466 108.800 -0.351 0.000 4.644 225 G HA2 0.267 4.227 3.960 0.000 0.000 0.307 225 G HA3 0.267 4.227 3.960 0.000 0.000 0.307 225 G C -0.313 174.590 174.900 0.005 0.000 1.331 225 G CA -0.238 44.861 45.100 -0.002 0.000 1.059 225 G HN -0.011 nan 8.290 nan 0.000 0.590 226 T N -0.145 114.383 114.554 -0.044 0.000 2.843 226 T HA 0.660 5.010 4.350 0.000 0.000 0.302 226 T C -0.862 173.813 174.700 -0.041 0.000 1.232 226 T CA -0.330 61.755 62.100 -0.025 0.000 1.009 226 T CB 1.913 70.773 68.868 -0.012 0.000 1.254 226 T HN 0.072 nan 8.240 nan 0.000 0.504 227 L N 1.246 122.447 121.223 -0.037 0.000 2.257 227 L HA 0.826 5.166 4.340 0.000 0.000 0.257 227 L C -1.463 175.370 176.870 -0.063 0.000 1.033 227 L CA -1.195 53.596 54.840 -0.082 0.000 0.835 227 L CB 1.845 43.820 42.059 -0.139 0.000 1.398 227 L HN 0.400 nan 8.230 nan 0.000 0.429 228 L N 1.331 122.482 121.223 -0.119 0.000 2.408 228 L HA 0.494 4.834 4.340 0.000 0.000 0.268 228 L C -0.931 175.835 176.870 -0.173 0.000 0.986 228 L CA -0.179 54.593 54.840 -0.114 0.000 0.820 228 L CB 1.617 43.600 42.059 -0.127 0.000 1.303 228 L HN 0.491 nan 8.230 nan 0.000 0.411 229 K N 6.905 127.242 120.400 -0.106 0.000 2.592 229 K HA 0.553 4.873 4.320 0.000 0.000 0.212 229 K C -2.854 173.724 176.600 -0.036 0.000 1.013 229 K CA -1.475 54.760 56.287 -0.087 0.000 1.034 229 K CB 1.292 33.788 32.500 -0.007 0.000 1.292 229 K HN 0.419 nan 8.250 nan 0.000 0.521 230 P HA 0.271 nan 4.420 nan 0.000 0.293 230 P C -1.449 175.960 177.300 0.182 0.000 1.305 230 P CA -0.826 62.299 63.100 0.042 0.000 0.874 230 P CB 1.050 32.763 31.700 0.023 0.000 1.288 231 N N -0.989 117.812 118.700 0.167 0.000 2.508 231 N HA 0.394 5.134 4.740 0.000 0.000 0.285 231 N C 0.207 175.854 175.510 0.229 0.000 1.144 231 N CA -0.708 52.452 53.050 0.182 0.000 0.978 231 N CB 0.412 38.955 38.487 0.094 0.000 1.180 231 N HN 0.285 nan 8.380 nan 0.000 0.484 232 M N 0.896 120.578 119.600 0.138 0.000 2.241 232 M HA 0.139 4.619 4.480 0.000 0.000 0.335 232 M C -0.579 175.704 176.300 -0.029 0.000 1.122 232 M CA -0.748 54.515 55.300 -0.062 0.000 1.164 232 M CB 1.059 33.544 32.600 -0.193 0.000 1.459 232 M HN 0.364 nan 8.290 nan 0.000 0.461 233 V N 3.025 122.906 119.914 -0.056 0.000 2.387 233 V HA 0.204 4.324 4.120 0.000 0.000 0.260 233 V C 0.421 176.455 176.094 -0.100 0.000 1.054 233 V CA 0.007 62.281 62.300 -0.044 0.000 0.967 233 V CB -0.160 31.652 31.823 -0.020 0.000 1.036 233 V HN 0.989 nan 8.190 nan 0.000 0.481 234 T N 2.549 117.050 114.554 -0.088 0.000 2.865 234 T HA 0.844 5.194 4.350 0.000 0.000 0.294 234 T C -0.139 174.481 174.700 -0.134 0.000 1.119 234 T CA -0.345 61.663 62.100 -0.154 0.000 1.007 234 T CB 1.948 70.734 68.868 -0.136 0.000 1.225 234 T HN 0.774 nan 8.240 nan 0.000 0.515 235 A N 0.408 123.093 122.820 -0.224 0.000 2.366 235 A HA 0.707 5.027 4.320 0.000 0.000 0.249 235 A C 1.045 178.505 177.584 -0.207 0.000 1.084 235 A CA -0.096 51.851 52.037 -0.150 0.000 0.794 235 A CB -0.648 18.334 19.000 -0.030 0.000 1.034 235 A HN 1.395 nan 8.150 nan 0.000 0.491 236 G N -1.181 107.303 108.800 -0.527 0.000 2.664 236 G HA2 0.253 4.213 3.960 0.000 0.000 0.242 236 G HA3 0.253 4.213 3.960 0.000 0.000 0.242 236 G C 0.757 175.469 174.900 -0.314 0.000 1.225 236 G CA -0.088 44.547 45.100 -0.776 0.000 0.849 236 G HN 0.833 nan 8.290 nan 0.000 0.581 237 H N 0.977 119.933 119.070 -0.189 0.000 2.422 237 H HA -0.100 4.456 4.556 0.000 0.000 0.298 237 H C 2.462 177.706 175.328 -0.139 0.000 1.098 237 H CA 1.638 57.594 56.048 -0.153 0.000 1.315 237 H CB 0.136 29.782 29.762 -0.194 0.000 1.382 237 H HN 0.455 nan 8.280 nan 0.000 0.523 238 A N -0.354 122.466 122.820 -0.001 0.000 2.348 238 A HA 0.111 4.431 4.320 0.000 0.000 0.224 238 A C 1.008 178.575 177.584 -0.028 0.000 1.227 238 A CA -0.196 51.833 52.037 -0.013 0.000 0.885 238 A CB -0.365 18.625 19.000 -0.018 0.000 0.933 238 A HN 0.370 nan 8.150 nan 0.000 0.506 239 C N 1.734 120.996 119.300 -0.062 0.000 2.653 239 C HA 0.329 4.789 4.460 0.000 0.000 0.421 239 C C 2.174 177.169 174.990 0.009 0.000 1.334 239 C CA 0.877 59.882 59.018 -0.022 0.000 1.885 239 C CB -0.202 27.536 27.740 -0.004 0.000 2.645 239 C HN 0.640 nan 8.230 nan 0.000 0.601 240 T N 2.103 116.662 114.554 0.008 0.000 3.081 240 T HA 0.089 4.439 4.350 0.000 0.000 0.255 240 T C 0.555 175.243 174.700 -0.021 0.000 1.113 240 T CA 0.377 62.474 62.100 -0.005 0.000 1.082 240 T CB -0.141 68.719 68.868 -0.012 0.000 0.939 240 T HN 0.797 nan 8.240 nan 0.000 0.506 241 K N 1.766 122.157 120.400 -0.016 0.000 2.295 241 K HA 0.323 4.643 4.320 0.000 0.000 0.270 241 K C -0.127 176.389 176.600 -0.140 0.000 1.011 241 K CA -0.443 55.765 56.287 -0.132 0.000 0.953 241 K CB 0.496 32.870 32.500 -0.210 0.000 0.956 241 K HN -0.019 nan 8.250 nan 0.000 0.477 242 K N 2.361 122.618 120.400 -0.238 0.000 2.159 242 K HA 0.346 4.666 4.320 0.000 0.000 0.266 242 K C -0.799 175.617 176.600 -0.307 0.000 0.975 242 K CA -0.480 55.722 56.287 -0.141 0.000 0.865 242 K CB 0.952 33.391 32.500 -0.102 0.000 1.087 242 K HN 0.425 nan 8.250 nan 0.000 0.446 243 Y N -0.746 119.542 120.300 -0.020 0.000 2.602 243 Y HA 0.313 4.863 4.550 0.000 0.000 0.342 243 Y C 0.834 176.723 175.900 -0.018 0.000 1.029 243 Y CA -0.689 57.402 58.100 -0.015 0.000 1.080 243 Y CB 1.969 40.421 38.460 -0.014 0.000 1.284 243 Y HN 0.363 nan 8.280 nan 0.000 0.485 244 T N 2.591 117.242 114.554 0.161 0.000 2.909 244 T HA 0.203 4.553 4.350 0.000 0.000 0.286 244 T C -1.848 172.895 174.700 0.071 0.000 1.002 244 T CA -1.879 60.270 62.100 0.082 0.000 1.074 244 T CB 1.053 69.962 68.868 0.067 0.000 0.984 244 T HN 0.376 nan 8.240 nan 0.000 0.495 245 P HA -0.075 nan 4.420 nan 0.000 0.216 245 P C 1.017 178.326 177.300 0.016 0.000 1.150 245 P CA 1.033 64.143 63.100 0.018 0.000 0.837 245 P CB 0.266 31.980 31.700 0.023 0.000 0.786 246 E N -0.454 119.764 120.200 0.031 0.000 2.072 246 E HA -0.178 4.172 4.350 0.000 0.000 0.191 246 E C 2.172 178.793 176.600 0.035 0.000 0.985 246 E CA 1.171 57.588 56.400 0.029 0.000 0.801 246 E CB -0.863 28.857 29.700 0.033 0.000 0.750 246 E HN 0.368 nan 8.360 nan 0.000 0.452 247 Q N -0.078 119.760 119.800 0.062 0.000 2.124 247 Q HA -0.122 4.218 4.340 0.000 0.000 0.202 247 Q C 2.190 178.202 176.000 0.020 0.000 0.977 247 Q CA 1.280 57.133 55.803 0.083 0.000 0.850 247 Q CB -0.073 28.781 28.738 0.194 0.000 0.901 247 Q HN 0.149 nan 8.270 nan 0.000 0.429 248 V N 0.672 120.578 119.914 -0.014 0.000 2.407 248 V HA -0.275 3.845 4.120 0.000 0.000 0.248 248 V C 2.159 178.211 176.094 -0.071 0.000 1.055 248 V CA 1.828 64.082 62.300 -0.076 0.000 1.049 248 V CB -0.778 30.996 31.823 -0.083 0.000 0.662 248 V HN 0.414 nan 8.190 nan 0.000 0.455 249 A N -0.704 122.090 122.820 -0.043 0.000 1.929 249 A HA -0.214 4.106 4.320 0.000 0.000 0.216 249 A C 2.121 179.697 177.584 -0.013 0.000 1.176 249 A CA 2.105 54.118 52.037 -0.041 0.000 0.628 249 A CB -0.476 18.512 19.000 -0.020 0.000 0.816 249 A HN 0.484 nan 8.150 nan 0.000 0.444 250 M N 0.284 119.884 119.600 -0.000 0.000 2.175 250 M HA 0.031 4.511 4.480 0.000 0.000 0.264 250 M C 2.044 178.353 176.300 0.016 0.000 1.063 250 M CA 1.785 57.090 55.300 0.009 0.000 1.119 250 M CB -0.472 32.139 32.600 0.019 0.000 1.377 250 M HN 0.328 nan 8.290 nan 0.000 0.415 251 A N -1.382 121.442 122.820 0.006 0.000 1.968 251 A HA -0.078 4.242 4.320 0.000 0.000 0.217 251 A C 2.138 179.740 177.584 0.030 0.000 1.169 251 A CA 1.982 54.028 52.037 0.016 0.000 0.638 251 A CB -1.167 17.824 19.000 -0.014 0.000 0.812 251 A HN 0.564 nan 8.150 nan 0.000 0.446 252 T N -0.561 113.999 114.554 0.010 0.000 2.812 252 T HA -0.061 4.289 4.350 0.000 0.000 0.264 252 T C 1.842 176.610 174.700 0.113 0.000 1.042 252 T CA 1.555 63.676 62.100 0.035 0.000 1.140 252 T CB -0.245 68.584 68.868 -0.066 0.000 0.870 252 T HN 0.157 nan 8.240 nan 0.000 0.445 253 V N 1.592 121.561 119.914 0.093 0.000 2.548 253 V HA -0.121 3.999 4.120 0.000 0.000 0.249 253 V C 2.720 178.875 176.094 0.102 0.000 1.055 253 V CA 1.562 63.945 62.300 0.137 0.000 1.065 253 V CB -1.142 30.752 31.823 0.118 0.000 0.681 253 V HN 0.496 nan 8.190 nan 0.000 0.462 254 T N 0.953 115.545 114.554 0.064 0.000 2.622 254 T HA -0.232 4.118 4.350 0.000 0.000 0.266 254 T C 2.146 177.061 174.700 0.358 0.000 1.047 254 T CA 2.004 64.207 62.100 0.173 0.000 1.159 254 T CB -0.502 68.444 68.868 0.130 0.000 0.863 254 T HN 0.572 nan 8.240 nan 0.000 0.422 255 A N 1.100 124.041 122.820 0.202 0.000 1.883 255 A HA -0.055 4.265 4.320 0.000 0.000 0.217 255 A C 2.361 180.049 177.584 0.174 0.000 1.186 255 A CA 1.488 53.616 52.037 0.152 0.000 0.624 255 A CB -0.941 18.119 19.000 0.100 0.000 0.822 255 A HN 0.489 nan 8.150 nan 0.000 0.444 256 L N -0.531 120.810 121.223 0.197 0.000 2.027 256 L HA -0.175 4.165 4.340 0.000 0.000 0.206 256 L C 2.690 179.782 176.870 0.370 0.000 1.074 256 L CA 1.446 56.376 54.840 0.150 0.000 0.745 256 L CB -0.931 41.123 42.059 -0.008 0.000 0.898 256 L HN 0.760 nan 8.230 nan 0.000 0.433 257 H N 0.745 120.038 119.070 0.372 0.000 2.545 257 H HA -0.050 4.506 4.556 0.000 0.000 0.282 257 H C 1.682 177.112 175.328 0.170 0.000 1.020 257 H CA 0.760 57.016 56.048 0.347 0.000 1.243 257 H CB -0.306 29.566 29.762 0.184 0.000 1.377 257 H HN 0.332 nan 8.280 nan 0.000 0.581 258 R N 0.546 121.072 120.500 0.045 0.000 2.254 258 R HA 0.095 4.435 4.340 0.000 0.000 0.195 258 R C 1.127 177.412 176.300 -0.024 0.000 0.957 258 R CA 1.148 57.172 56.100 -0.127 0.000 1.024 258 R CB -0.200 30.043 30.300 -0.095 0.000 0.952 258 R HN 0.578 nan 8.270 nan 0.000 0.484 259 T N -3.056 111.523 114.554 0.041 0.000 2.966 259 T HA 0.219 4.569 4.350 0.000 0.000 0.254 259 T C 0.597 175.261 174.700 -0.060 0.000 0.961 259 T CA -0.265 61.844 62.100 0.014 0.000 0.915 259 T CB 0.259 69.158 68.868 0.051 0.000 1.186 259 T HN -0.141 nan 8.240 nan 0.000 0.505 260 V N 4.441 124.321 119.914 -0.057 0.000 2.368 260 V HA 0.372 4.492 4.120 0.000 0.000 0.266 260 V C -2.416 173.639 176.094 -0.066 0.000 1.045 260 V CA -2.041 60.072 62.300 -0.312 0.000 0.899 260 V CB 0.688 32.294 31.823 -0.360 0.000 1.006 260 V HN 0.228 nan 8.190 nan 0.000 0.470 261 P HA 0.048 nan 4.420 nan 0.000 0.266 261 P C 0.776 178.149 177.300 0.121 0.000 1.193 261 P CA 0.142 63.195 63.100 -0.079 0.000 0.770 261 P CB 0.718 32.309 31.700 -0.183 0.000 0.836 262 A N 3.427 126.275 122.820 0.046 0.000 2.024 262 A HA -0.178 4.142 4.320 0.000 0.000 0.220 262 A C 2.072 179.662 177.584 0.009 0.000 1.164 262 A CA 2.023 54.025 52.037 -0.058 0.000 0.643 262 A CB -1.499 17.419 19.000 -0.137 0.000 0.806 262 A HN 0.576 nan 8.150 nan 0.000 0.451 263 A N -0.619 122.197 122.820 -0.008 0.000 2.067 263 A HA 0.234 4.554 4.320 0.000 0.000 0.219 263 A C 1.022 178.595 177.584 -0.019 0.000 1.158 263 A CA 0.694 52.708 52.037 -0.038 0.000 0.661 263 A CB -0.572 18.378 19.000 -0.082 0.000 0.801 263 A HN 0.299 nan 8.150 nan 0.000 0.452 264 V N 2.525 122.466 119.914 0.045 0.000 2.446 264 V HA 0.040 4.160 4.120 0.000 0.000 0.276 264 V C -0.835 175.318 176.094 0.098 0.000 1.030 264 V CA -0.538 61.781 62.300 0.032 0.000 1.033 264 V CB 0.991 32.804 31.823 -0.016 0.000 0.993 264 V HN 0.400 nan 8.190 nan 0.000 0.477 265 P HA 0.048 nan 4.420 nan 0.000 0.217 265 P C 0.609 177.939 177.300 0.050 0.000 1.154 265 P CA 1.022 64.143 63.100 0.035 0.000 0.841 265 P CB 0.617 32.303 31.700 -0.023 0.000 0.788 266 G N -0.499 108.280 108.800 -0.035 0.000 2.642 266 G HA2 0.650 4.610 3.960 0.000 0.000 0.293 266 G HA3 0.650 4.610 3.960 0.000 0.000 0.293 266 G C -1.581 173.200 174.900 -0.198 0.000 1.341 266 G CA -0.576 44.481 45.100 -0.072 0.000 0.916 266 G HN -0.041 nan 8.290 nan 0.000 0.474 267 I N 0.279 120.675 120.570 -0.291 0.000 2.439 267 I HA 0.282 4.452 4.170 0.000 0.000 0.285 267 I C -0.781 175.011 176.117 -0.541 0.000 1.021 267 I CA -0.571 60.430 61.300 -0.499 0.000 1.091 267 I CB 2.049 39.599 38.000 -0.751 0.000 1.242 267 I HN 0.270 nan 8.210 nan 0.000 0.439 268 C N 6.539 125.562 119.300 -0.461 0.000 2.258 268 C HA 0.461 4.921 4.460 0.000 0.000 0.321 268 C C 0.198 175.048 174.990 -0.234 0.000 1.168 268 C CA -0.753 58.061 59.018 -0.341 0.000 1.531 268 C CB -0.870 26.711 27.740 -0.265 0.000 2.095 268 C HN 0.460 nan 8.230 nan 0.000 0.449 269 F N 3.319 123.293 119.950 0.039 0.000 2.459 269 F HA 0.383 4.910 4.527 0.000 0.000 0.346 269 F C 0.814 176.768 175.800 0.257 0.000 1.128 269 F CA -0.609 57.469 58.000 0.131 0.000 1.268 269 F CB 0.522 39.635 39.000 0.188 0.000 1.161 269 F HN 0.446 nan 8.300 nan 0.000 0.583 270 L N 0.272 121.726 121.223 0.386 0.000 2.418 270 L HA 0.436 4.776 4.340 0.000 0.000 0.265 270 L C 0.861 177.900 176.870 0.281 0.000 1.143 270 L CA -0.124 54.908 54.840 0.321 0.000 0.809 270 L CB 0.628 42.791 42.059 0.174 0.000 1.124 270 L HN 0.647 nan 8.230 nan 0.000 0.456 271 S N -0.355 115.401 115.700 0.094 0.000 2.470 271 S HA 0.196 4.666 4.470 0.000 0.000 0.222 271 S C 1.461 176.023 174.600 -0.063 0.000 1.024 271 S CA 0.162 58.247 58.200 -0.191 0.000 0.931 271 S CB -0.759 62.026 63.200 -0.692 0.000 0.791 271 S HN 1.567 nan 8.310 nan 0.000 0.513 272 G N 1.305 110.109 108.800 0.006 0.000 2.379 272 G HA2 0.085 4.045 3.960 0.000 0.000 0.297 272 G HA3 0.085 4.045 3.960 0.000 0.000 0.297 272 G C 1.012 175.993 174.900 0.134 0.000 1.004 272 G CA 0.593 45.725 45.100 0.053 0.000 0.921 272 G HN 1.807 nan 8.290 nan 0.000 0.511 273 G N -1.706 107.162 108.800 0.113 0.000 2.253 273 G HA2 -0.194 3.766 3.960 0.000 0.000 0.209 273 G HA3 -0.194 3.766 3.960 0.000 0.000 0.209 273 G C 0.591 175.553 174.900 0.103 0.000 0.997 273 G CA 0.389 45.619 45.100 0.217 0.000 0.640 273 G HN 0.844 nan 8.290 nan 0.000 0.496 274 M N 2.680 122.289 119.600 0.014 0.000 2.249 274 M HA 0.366 4.846 4.480 0.000 0.000 0.340 274 M C 1.545 177.813 176.300 -0.053 0.000 1.166 274 M CA 0.556 55.832 55.300 -0.041 0.000 1.115 274 M CB 0.788 33.328 32.600 -0.100 0.000 1.606 274 M HN 0.625 nan 8.290 nan 0.000 0.448 275 S N 2.098 117.777 115.700 -0.036 0.000 2.576 275 S HA 0.023 4.493 4.470 0.000 0.000 0.272 275 S C 0.747 175.313 174.600 -0.057 0.000 1.352 275 S CA -0.381 57.802 58.200 -0.027 0.000 1.021 275 S CB 0.566 63.763 63.200 -0.005 0.000 0.887 275 S HN 0.767 nan 8.310 nan 0.000 0.542 276 E N 0.481 120.660 120.200 -0.035 0.000 2.118 276 E HA -0.209 4.141 4.350 0.000 0.000 0.195 276 E C 1.720 178.287 176.600 -0.056 0.000 0.992 276 E CA 1.382 57.751 56.400 -0.051 0.000 0.804 276 E CB -0.148 29.548 29.700 -0.007 0.000 0.741 276 E HN 0.779 nan 8.360 nan 0.000 0.458 277 E N 1.180 121.373 120.200 -0.012 0.000 2.072 277 E HA -0.153 4.197 4.350 0.000 0.000 0.190 277 E C 1.520 178.110 176.600 -0.017 0.000 0.982 277 E CA 1.094 57.502 56.400 0.013 0.000 0.803 277 E CB -0.071 29.695 29.700 0.109 0.000 0.755 277 E HN 0.132 nan 8.360 nan 0.000 0.453 278 D N -0.070 120.315 120.400 -0.024 0.000 2.097 278 D HA -0.125 4.515 4.640 0.000 0.000 0.195 278 D C 1.719 177.980 176.300 -0.066 0.000 0.989 278 D CA 1.614 55.593 54.000 -0.036 0.000 0.827 278 D CB -0.481 40.295 40.800 -0.040 0.000 0.966 278 D HN 0.277 nan 8.370 nan 0.000 0.456 279 A N 0.153 122.904 122.820 -0.116 0.000 2.024 279 A HA -0.172 4.148 4.320 0.000 0.000 0.220 279 A C 2.279 179.866 177.584 0.005 0.000 1.164 279 A CA 2.000 53.940 52.037 -0.162 0.000 0.643 279 A CB -0.598 18.113 19.000 -0.482 0.000 0.806 279 A HN 0.241 nan 8.150 nan 0.000 0.451 280 T N -0.076 114.436 114.554 -0.071 0.000 2.866 280 T HA 0.072 4.422 4.350 0.000 0.000 0.250 280 T C 1.823 176.432 174.700 -0.150 0.000 1.033 280 T CA 1.066 63.059 62.100 -0.179 0.000 1.145 280 T CB -0.324 68.263 68.868 -0.469 0.000 0.866 280 T HN 0.353 nan 8.240 nan 0.000 0.434 281 L N 1.523 122.698 121.223 -0.079 0.000 2.042 281 L HA -0.153 4.187 4.340 0.000 0.000 0.210 281 L C 2.548 179.430 176.870 0.020 0.000 1.076 281 L CA 1.034 55.896 54.840 0.036 0.000 0.749 281 L CB -0.745 41.356 42.059 0.070 0.000 0.893 281 L HN 0.214 nan 8.230 nan 0.000 0.432 282 N N 0.266 118.958 118.700 -0.013 0.000 2.084 282 N HA -0.189 4.551 4.740 0.000 0.000 0.190 282 N C 1.792 177.279 175.510 -0.039 0.000 1.030 282 N CA 1.239 54.266 53.050 -0.039 0.000 0.849 282 N CB -0.458 37.977 38.487 -0.087 0.000 1.012 282 N HN 0.194 nan 8.380 nan 0.000 0.423 283 L N 1.326 122.552 121.223 0.004 0.000 2.141 283 L HA -0.048 4.292 4.340 0.000 0.000 0.209 283 L C 1.767 178.679 176.870 0.069 0.000 1.094 283 L CA 1.540 56.406 54.840 0.044 0.000 0.763 283 L CB -0.860 41.293 42.059 0.157 0.000 0.908 283 L HN 0.068 nan 8.230 nan 0.000 0.437 284 N N -0.017 118.722 118.700 0.065 0.000 2.039 284 N HA -0.193 4.547 4.740 0.000 0.000 0.193 284 N C 1.917 177.476 175.510 0.082 0.000 1.044 284 N CA 1.905 55.015 53.050 0.101 0.000 0.847 284 N CB -0.375 38.208 38.487 0.161 0.000 1.030 284 N HN 0.475 nan 8.380 nan 0.000 0.422 285 A N 0.510 123.365 122.820 0.058 0.000 1.917 285 A HA -0.160 4.160 4.320 0.000 0.000 0.219 285 A C 2.312 179.917 177.584 0.034 0.000 1.182 285 A CA 1.478 53.540 52.037 0.041 0.000 0.633 285 A CB -0.986 18.030 19.000 0.025 0.000 0.819 285 A HN 0.449 nan 8.150 nan 0.000 0.448 286 I N -0.393 120.188 120.570 0.018 0.000 2.361 286 I HA -0.272 3.898 4.170 0.000 0.000 0.251 286 I C 2.044 178.222 176.117 0.103 0.000 1.133 286 I CA 1.574 62.900 61.300 0.042 0.000 1.413 286 I CB -0.431 37.572 38.000 0.005 0.000 1.073 286 I HN 0.393 nan 8.210 nan 0.000 0.424 287 N N 0.324 119.090 118.700 0.109 0.000 2.381 287 N HA -0.050 4.690 4.740 0.000 0.000 0.182 287 N C 1.398 176.957 175.510 0.081 0.000 1.025 287 N CA 0.791 53.909 53.050 0.113 0.000 0.888 287 N CB 0.071 38.628 38.487 0.117 0.000 0.965 287 N HN 0.292 nan 8.380 nan 0.000 0.438 288 L N -0.373 120.889 121.223 0.066 0.000 2.607 288 L HA 0.226 4.566 4.340 0.000 0.000 0.228 288 L C 0.319 177.210 176.870 0.036 0.000 1.123 288 L CA -0.533 54.335 54.840 0.048 0.000 0.890 288 L CB -0.036 42.050 42.059 0.045 0.000 1.103 288 L HN 0.197 nan 8.230 nan 0.000 0.468 289 C N 3.719 123.042 119.300 0.038 0.000 2.590 289 C HA 0.117 4.577 4.460 0.000 0.000 0.411 289 C C -1.398 173.596 174.990 0.006 0.000 1.420 289 C CA -1.034 57.997 59.018 0.022 0.000 1.643 289 C CB -0.024 27.730 27.740 0.023 0.000 2.528 289 C HN 0.153 nan 8.230 nan 0.000 0.606 290 P HA 0.288 nan 4.420 nan 0.000 0.238 290 P C -0.821 176.455 177.300 -0.041 0.000 1.794 290 P CA 0.076 63.168 63.100 -0.015 0.000 1.088 290 P CB 0.011 31.707 31.700 -0.006 0.000 1.923 291 L N 4.235 125.420 121.223 -0.064 0.000 2.469 291 L HA 0.572 4.912 4.340 0.000 0.000 0.256 291 L C -2.475 174.333 176.870 -0.104 0.000 1.006 291 L CA -2.676 52.086 54.840 -0.130 0.000 0.832 291 L CB 1.903 43.803 42.059 -0.266 0.000 1.421 291 L HN -0.021 nan 8.230 nan 0.000 0.410 292 P HA 0.138 nan 4.420 nan 0.000 0.262 292 P C -1.003 176.178 177.300 -0.199 0.000 1.182 292 P CA 0.232 63.269 63.100 -0.105 0.000 0.761 292 P CB 0.173 31.855 31.700 -0.030 0.000 0.795 293 K N 4.481 124.715 120.400 -0.277 0.000 2.762 293 K HA 0.206 4.526 4.320 0.000 0.000 0.180 293 K C -1.794 174.385 176.600 -0.700 0.000 1.067 293 K CA -1.152 54.869 56.287 -0.444 0.000 0.973 293 K CB 1.210 33.668 32.500 -0.071 0.000 1.290 293 K HN 0.306 nan 8.250 nan 0.000 0.604 294 P HA -0.089 nan 4.420 nan 0.000 0.237 294 P C -0.534 176.439 177.300 -0.546 0.000 1.178 294 P CA 0.618 63.263 63.100 -0.758 0.000 0.766 294 P CB 0.177 31.420 31.700 -0.762 0.000 0.876 295 W N -0.085 121.197 121.300 -0.030 0.000 2.736 295 W HA 0.432 5.092 4.660 0.000 0.000 0.355 295 W C 0.117 176.612 176.519 -0.040 0.000 1.102 295 W CA -1.276 56.040 57.345 -0.048 0.000 1.164 295 W CB 0.459 29.878 29.460 -0.068 0.000 1.422 295 W HN -0.422 nan 8.180 nan 0.000 0.572 296 K N 1.798 122.338 120.400 0.233 0.000 2.355 296 K HA 0.298 4.618 4.320 0.000 0.000 0.270 296 K C -0.444 176.242 176.600 0.144 0.000 1.003 296 K CA -0.356 56.012 56.287 0.135 0.000 0.957 296 K CB 0.607 33.127 32.500 0.033 0.000 0.939 296 K HN 0.411 nan 8.250 nan 0.000 0.482 297 L N 1.637 122.955 121.223 0.157 0.000 2.295 297 L HA 0.263 4.603 4.340 0.000 0.000 0.281 297 L C 0.416 177.375 176.870 0.148 0.000 1.018 297 L CA -0.201 54.740 54.840 0.168 0.000 0.841 297 L CB 1.526 43.778 42.059 0.322 0.000 1.218 297 L HN 0.558 nan 8.230 nan 0.000 0.424 298 S N 1.833 117.563 115.700 0.050 0.000 2.921 298 S HA 0.759 5.229 4.470 0.000 0.000 0.315 298 S C -1.112 173.533 174.600 0.075 0.000 1.087 298 S CA -0.458 57.761 58.200 0.032 0.000 0.877 298 S CB 1.232 64.298 63.200 -0.223 0.000 1.340 298 S HN 0.306 nan 8.310 nan 0.000 0.622 299 F N 0.478 120.294 119.950 -0.222 0.000 2.522 299 F HA 0.830 5.357 4.527 0.000 0.000 0.324 299 F C -0.035 175.558 175.800 -0.345 0.000 1.077 299 F CA -1.029 56.647 58.000 -0.540 0.000 0.944 299 F CB 1.556 39.718 39.000 -1.395 0.000 1.175 299 F HN 0.311 nan 8.300 nan 0.000 0.468 300 S N 2.980 118.610 115.700 -0.115 0.000 2.204 300 S HA 0.426 4.896 4.470 0.000 0.000 0.147 300 S C -1.460 173.344 174.600 0.339 0.000 1.711 300 S CA -0.337 57.880 58.200 0.028 0.000 1.274 300 S CB -0.640 62.564 63.200 0.005 0.000 1.257 300 S HN 0.666 nan 8.310 nan 0.000 0.404 301 Y N 1.014 121.501 120.300 0.311 0.000 2.320 301 Y HA 0.516 5.066 4.550 0.000 0.000 0.324 301 Y C 1.518 177.530 175.900 0.187 0.000 1.190 301 Y CA -0.902 57.339 58.100 0.234 0.000 1.215 301 Y CB 1.636 40.240 38.460 0.239 0.000 1.221 301 Y HN 0.583 nan 8.280 nan 0.000 0.486 302 G N 1.802 110.762 108.800 0.266 0.000 2.534 302 G HA2 0.002 3.962 3.960 0.000 0.000 0.224 302 G HA3 0.002 3.962 3.960 0.000 0.000 0.224 302 G C 1.127 176.101 174.900 0.122 0.000 1.822 302 G CA -0.273 44.923 45.100 0.160 0.000 0.805 302 G HN 0.556 nan 8.290 nan 0.000 0.649 303 R N 0.874 121.412 120.500 0.064 0.000 2.096 303 R HA -0.027 4.313 4.340 0.000 0.000 0.240 303 R C 2.785 179.106 176.300 0.034 0.000 1.139 303 R CA 1.765 57.886 56.100 0.036 0.000 0.952 303 R CB -0.605 29.703 30.300 0.013 0.000 0.854 303 R HN 0.350 nan 8.270 nan 0.000 0.436 304 A N 0.213 123.022 122.820 -0.018 0.000 2.070 304 A HA -0.063 4.257 4.320 0.000 0.000 0.220 304 A C 1.902 179.537 177.584 0.086 0.000 1.159 304 A CA 1.094 53.096 52.037 -0.058 0.000 0.656 304 A CB -0.298 18.472 19.000 -0.384 0.000 0.800 304 A HN 0.233 nan 8.150 nan 0.000 0.453 305 L N -1.739 119.607 121.223 0.205 0.000 2.585 305 L HA 0.071 4.412 4.340 0.000 0.000 0.226 305 L C 1.978 179.008 176.870 0.267 0.000 1.113 305 L CA 0.423 55.434 54.840 0.285 0.000 0.876 305 L CB 0.122 42.440 42.059 0.431 0.000 1.072 305 L HN 0.423 nan 8.230 nan 0.000 0.468 306 Q N -1.476 118.427 119.800 0.171 0.000 2.179 306 Q HA 0.229 4.569 4.340 0.000 0.000 0.244 306 Q C 2.091 178.157 176.000 0.110 0.000 0.808 306 Q CA 0.448 56.344 55.803 0.155 0.000 0.955 306 Q CB 0.686 29.507 28.738 0.138 0.000 1.141 306 Q HN 0.388 nan 8.270 nan 0.000 0.485 307 A N 1.398 124.261 122.820 0.072 0.000 1.865 307 A HA -0.228 4.092 4.320 0.000 0.000 0.217 307 A C 2.220 179.840 177.584 0.060 0.000 1.191 307 A CA 2.235 54.297 52.037 0.042 0.000 0.623 307 A CB -0.655 18.364 19.000 0.032 0.000 0.826 307 A HN 0.378 nan 8.150 nan 0.000 0.444 308 S N 0.216 115.965 115.700 0.082 0.000 2.423 308 S HA 0.128 4.598 4.470 0.000 0.000 0.231 308 S C 2.025 176.704 174.600 0.132 0.000 1.014 308 S CA 1.054 59.309 58.200 0.092 0.000 0.965 308 S CB -0.531 62.720 63.200 0.086 0.000 0.785 308 S HN 0.853 nan 8.310 nan 0.000 0.495 309 A N 1.543 124.470 122.820 0.179 0.000 1.969 309 A HA 0.140 4.460 4.320 0.000 0.000 0.218 309 A C 2.101 179.878 177.584 0.320 0.000 1.169 309 A CA 0.901 53.087 52.037 0.248 0.000 0.635 309 A CB -0.594 18.572 19.000 0.276 0.000 0.810 309 A HN 0.401 nan 8.150 nan 0.000 0.445 310 L N -0.344 120.985 121.223 0.177 0.000 1.988 310 L HA -0.058 4.282 4.340 0.000 0.000 0.207 310 L C 2.962 179.915 176.870 0.139 0.000 1.071 310 L CA 2.014 56.860 54.840 0.011 0.000 0.744 310 L CB -1.284 40.651 42.059 -0.206 0.000 0.893 310 L HN 0.379 nan 8.230 nan 0.000 0.433 311 A N -0.830 122.044 122.820 0.091 0.000 1.883 311 A HA -0.194 4.126 4.320 0.000 0.000 0.217 311 A C 2.431 180.081 177.584 0.110 0.000 1.186 311 A CA 2.084 54.167 52.037 0.076 0.000 0.624 311 A CB -1.034 17.996 19.000 0.052 0.000 0.822 311 A HN 0.455 nan 8.150 nan 0.000 0.444 312 A N -1.765 121.143 122.820 0.147 0.000 1.933 312 A HA -0.139 4.181 4.320 0.000 0.000 0.218 312 A C 1.928 179.654 177.584 0.237 0.000 1.175 312 A CA 1.632 53.764 52.037 0.157 0.000 0.628 312 A CB -0.790 18.301 19.000 0.153 0.000 0.814 312 A HN 0.834 nan 8.150 nan 0.000 0.444 313 W N 0.106 121.456 121.300 0.083 0.000 2.352 313 W HA 0.056 4.716 4.660 0.000 0.000 0.322 313 W C 1.775 178.319 176.519 0.043 0.000 1.208 313 W CA 2.334 59.734 57.345 0.092 0.000 1.286 313 W CB -0.819 28.741 29.460 0.165 0.000 1.167 313 W HN 0.750 nan 8.180 nan 0.000 0.469 314 G N -0.680 108.128 108.800 0.013 0.000 2.166 314 G HA2 -0.127 3.833 3.960 0.000 0.000 0.260 314 G HA3 -0.127 3.833 3.960 0.000 0.000 0.260 314 G C 1.233 175.719 174.900 -0.689 0.000 0.986 314 G CA 1.195 46.140 45.100 -0.258 0.000 0.683 314 G HN 1.594 nan 8.290 nan 0.000 0.527 315 G N -1.373 106.402 108.800 -1.709 0.000 2.143 315 G HA2 -0.258 3.702 3.960 0.000 0.000 0.248 315 G HA3 -0.258 3.702 3.960 0.000 0.000 0.248 315 G C 0.166 174.306 174.900 -1.266 0.000 0.991 315 G CA 1.050 44.744 45.100 -2.344 0.000 0.689 315 G HN 1.047 nan 8.290 nan 0.000 0.522 316 K N -0.025 119.818 120.400 -0.928 0.000 2.265 316 K HA 0.664 4.984 4.320 0.000 0.000 0.267 316 K C 1.397 178.024 176.600 0.045 0.000 0.994 316 K CA -0.116 56.005 56.287 -0.276 0.000 0.860 316 K CB 1.677 34.078 32.500 -0.166 0.000 1.099 316 K HN 0.252 nan 8.250 nan 0.000 0.448 317 A N 2.867 125.763 122.820 0.127 0.000 1.978 317 A HA -0.184 4.136 4.320 0.000 0.000 0.220 317 A C 2.072 179.752 177.584 0.160 0.000 1.170 317 A CA 2.095 54.261 52.037 0.215 0.000 0.636 317 A CB -0.460 18.629 19.000 0.148 0.000 0.810 317 A HN 0.821 nan 8.150 nan 0.000 0.448 318 A N 0.064 122.943 122.820 0.098 0.000 2.125 318 A HA -0.128 4.192 4.320 0.000 0.000 0.219 318 A C 1.438 179.082 177.584 0.100 0.000 1.156 318 A CA 1.406 53.489 52.037 0.078 0.000 0.671 318 A CB -0.485 18.543 19.000 0.045 0.000 0.794 318 A HN 0.529 nan 8.150 nan 0.000 0.459 319 N N -0.173 118.619 118.700 0.153 0.000 2.370 319 N HA -0.011 4.729 4.740 0.000 0.000 0.198 319 N C 1.231 176.855 175.510 0.190 0.000 1.156 319 N CA 0.413 53.567 53.050 0.173 0.000 0.839 319 N CB -0.015 38.581 38.487 0.183 0.000 0.989 319 N HN 0.652 nan 8.380 nan 0.000 0.468 320 K N 1.715 122.212 120.400 0.162 0.000 2.001 320 K HA -0.243 4.077 4.320 0.000 0.000 0.223 320 K C 1.491 178.132 176.600 0.068 0.000 1.055 320 K CA 1.677 58.023 56.287 0.099 0.000 0.965 320 K CB -0.014 32.526 32.500 0.068 0.000 0.730 320 K HN 0.121 nan 8.250 nan 0.000 0.449 321 E N -0.571 119.667 120.200 0.064 0.000 2.049 321 E HA -0.239 4.111 4.350 0.000 0.000 0.198 321 E C 1.897 178.535 176.600 0.063 0.000 1.007 321 E CA 1.586 58.017 56.400 0.052 0.000 0.809 321 E CB -0.198 29.530 29.700 0.047 0.000 0.749 321 E HN 0.516 nan 8.360 nan 0.000 0.450 322 A N 0.078 122.945 122.820 0.077 0.000 1.933 322 A HA -0.178 4.142 4.320 0.000 0.000 0.218 322 A C 2.330 179.975 177.584 0.102 0.000 1.175 322 A CA 1.930 54.017 52.037 0.083 0.000 0.628 322 A CB -0.838 18.213 19.000 0.085 0.000 0.814 322 A HN 0.270 nan 8.150 nan 0.000 0.444 323 T N 0.570 115.195 114.554 0.119 0.000 2.635 323 T HA -0.233 4.117 4.350 0.000 0.000 0.267 323 T C 2.009 176.754 174.700 0.075 0.000 1.040 323 T CA 1.884 64.054 62.100 0.117 0.000 1.156 323 T CB -0.391 68.535 68.868 0.097 0.000 0.863 323 T HN 0.673 nan 8.240 nan 0.000 0.430 324 Q N 0.455 120.282 119.800 0.045 0.000 2.170 324 Q HA -0.099 4.241 4.340 0.000 0.000 0.203 324 Q C 2.424 178.488 176.000 0.107 0.000 0.976 324 Q CA 0.884 56.732 55.803 0.075 0.000 0.858 324 Q CB -0.116 28.648 28.738 0.043 0.000 0.907 324 Q HN 0.563 nan 8.270 nan 0.000 0.433 325 E N 0.765 121.013 120.200 0.080 0.000 2.028 325 E HA -0.166 4.184 4.350 0.000 0.000 0.191 325 E C 2.052 178.696 176.600 0.073 0.000 0.988 325 E CA 1.013 57.450 56.400 0.061 0.000 0.799 325 E CB -0.097 29.636 29.700 0.054 0.000 0.755 325 E HN 0.329 nan 8.360 nan 0.000 0.447 326 A N 1.680 124.562 122.820 0.103 0.000 1.841 326 A HA -0.231 4.089 4.320 0.000 0.000 0.216 326 A C 2.062 179.747 177.584 0.168 0.000 1.199 326 A CA 1.686 53.794 52.037 0.120 0.000 0.621 326 A CB -1.128 17.954 19.000 0.137 0.000 0.835 326 A HN 0.336 nan 8.150 nan 0.000 0.445 327 F N 0.459 120.421 119.950 0.020 0.000 2.063 327 F HA -0.280 4.247 4.527 0.000 0.000 0.298 327 F C 2.339 178.143 175.800 0.007 0.000 1.109 327 F CA 2.205 60.211 58.000 0.010 0.000 1.212 327 F CB -0.527 38.453 39.000 -0.034 0.000 0.973 327 F HN 0.147 nan 8.300 nan 0.000 0.480 328 M N 0.405 119.967 119.600 -0.063 0.000 2.065 328 M HA -0.256 4.224 4.480 0.000 0.000 0.259 328 M C 2.353 178.551 176.300 -0.170 0.000 1.069 328 M CA 2.225 57.372 55.300 -0.255 0.000 1.110 328 M CB -1.371 31.165 32.600 -0.108 0.000 1.328 328 M HN 0.266 nan 8.290 nan 0.000 0.405 329 K N 0.107 120.473 120.400 -0.056 0.000 2.063 329 K HA -0.170 4.150 4.320 0.000 0.000 0.208 329 K C 1.924 178.498 176.600 -0.045 0.000 1.048 329 K CA 1.336 57.604 56.287 -0.031 0.000 0.928 329 K CB -0.010 32.494 32.500 0.007 0.000 0.713 329 K HN 0.210 nan 8.250 nan 0.000 0.442 330 R N -0.030 120.454 120.500 -0.027 0.000 2.235 330 R HA -0.001 4.339 4.340 0.000 0.000 0.213 330 R C 2.165 178.376 176.300 -0.149 0.000 1.059 330 R CA 0.917 56.988 56.100 -0.048 0.000 0.997 330 R CB -0.274 30.043 30.300 0.030 0.000 0.884 330 R HN 0.309 nan 8.270 nan 0.000 0.462 331 A N 0.966 123.643 122.820 -0.239 0.000 1.968 331 A HA -0.032 4.288 4.320 0.000 0.000 0.217 331 A C 2.195 179.656 177.584 -0.206 0.000 1.169 331 A CA 0.793 52.655 52.037 -0.291 0.000 0.638 331 A CB -0.218 18.489 19.000 -0.488 0.000 0.812 331 A HN 0.123 nan 8.150 nan 0.000 0.446 332 M N -0.756 118.753 119.600 -0.152 0.000 2.156 332 M HA -0.070 4.410 4.480 0.000 0.000 0.264 332 M C 2.524 178.800 176.300 -0.040 0.000 1.067 332 M CA 1.286 56.542 55.300 -0.074 0.000 1.131 332 M CB -0.316 32.253 32.600 -0.053 0.000 1.368 332 M HN 0.470 nan 8.290 nan 0.000 0.416 333 A N 0.585 123.377 122.820 -0.047 0.000 1.972 333 A HA -0.141 4.179 4.320 0.000 0.000 0.219 333 A C 1.765 179.247 177.584 -0.169 0.000 1.169 333 A CA 1.541 53.573 52.037 -0.008 0.000 0.635 333 A CB -0.663 18.318 19.000 -0.032 0.000 0.810 333 A HN 0.496 nan 8.150 nan 0.000 0.446 334 N N -0.859 117.650 118.700 -0.319 0.000 2.416 334 N HA -0.089 4.651 4.740 0.000 0.000 0.177 334 N C 1.626 176.979 175.510 -0.262 0.000 1.036 334 N CA 1.138 53.884 53.050 -0.507 0.000 0.901 334 N CB -0.505 37.307 38.487 -1.126 0.000 0.976 334 N HN 0.575 nan 8.380 nan 0.000 0.444 335 C N 1.227 120.463 119.300 -0.108 0.000 2.446 335 C HA 0.063 4.523 4.460 0.000 0.000 0.279 335 C C 2.492 177.539 174.990 0.094 0.000 1.366 335 C CA 0.558 59.647 59.018 0.118 0.000 1.763 335 C CB -0.716 27.077 27.740 0.089 0.000 1.929 335 C HN 0.391 nan 8.230 nan 0.000 0.509 336 Q N 0.317 120.162 119.800 0.075 0.000 2.083 336 Q HA -0.021 4.319 4.340 0.000 0.000 0.198 336 Q C 2.526 178.610 176.000 0.139 0.000 0.969 336 Q CA 1.644 57.517 55.803 0.117 0.000 0.838 336 Q CB -0.255 28.592 28.738 0.183 0.000 0.900 336 Q HN 0.762 nan 8.270 nan 0.000 0.436 337 A N 0.998 123.885 122.820 0.112 0.000 1.933 337 A HA -0.079 4.241 4.320 0.000 0.000 0.218 337 A C 2.197 179.853 177.584 0.119 0.000 1.175 337 A CA 1.424 53.526 52.037 0.107 0.000 0.628 337 A CB -0.659 18.342 19.000 0.001 0.000 0.814 337 A HN 0.381 nan 8.150 nan 0.000 0.444 338 A N -0.748 122.155 122.820 0.138 0.000 2.225 338 A HA -0.038 4.282 4.320 0.000 0.000 0.215 338 A C 1.677 179.335 177.584 0.123 0.000 1.164 338 A CA 1.506 53.642 52.037 0.165 0.000 0.710 338 A CB -0.285 18.844 19.000 0.215 0.000 0.780 338 A HN 0.543 nan 8.150 nan 0.000 0.473 339 K N -1.574 118.890 120.400 0.108 0.000 2.438 339 K HA 0.327 4.647 4.320 0.000 0.000 0.205 339 K C 0.736 177.387 176.600 0.084 0.000 1.033 339 K CA 0.331 56.669 56.287 0.085 0.000 1.089 339 K CB 0.504 33.046 32.500 0.069 0.000 0.857 339 K HN 0.471 nan 8.250 nan 0.000 0.522 340 G N 2.520 111.380 108.800 0.101 0.000 2.273 340 G HA2 -0.308 3.652 3.960 0.000 0.000 0.280 340 G HA3 -0.308 3.652 3.960 0.000 0.000 0.280 340 G C 0.279 175.232 174.900 0.088 0.000 1.047 340 G CA 0.461 45.619 45.100 0.096 0.000 0.869 340 G HN 0.485 nan 8.290 nan 0.000 0.502 341 Q N -1.835 118.025 119.800 0.101 0.000 2.164 341 Q HA 0.243 4.583 4.340 0.000 0.000 0.226 341 Q C 0.544 176.592 176.000 0.080 0.000 0.813 341 Q CA -0.522 55.324 55.803 0.072 0.000 0.978 341 Q CB 1.069 29.839 28.738 0.053 0.000 1.149 341 Q HN 0.621 nan 8.270 nan 0.000 0.489 342 Y N 1.468 121.782 120.300 0.022 0.000 2.346 342 Y HA 0.319 4.869 4.550 0.000 0.000 0.330 342 Y C -0.640 175.275 175.900 0.026 0.000 1.178 342 Y CA -0.318 57.792 58.100 0.017 0.000 1.331 342 Y CB 0.765 39.236 38.460 0.020 0.000 1.253 342 Y HN -0.255 nan 8.280 nan 0.000 0.529 343 V N 6.409 125.854 119.914 -0.782 0.000 2.709 343 V HA 0.094 4.214 4.120 0.000 0.000 0.308 343 V C 0.865 176.606 176.094 -0.589 0.000 1.062 343 V CA -0.780 61.253 62.300 -0.445 0.000 0.901 343 V CB 1.360 33.060 31.823 -0.205 0.000 1.003 343 V HN 1.005 nan 8.190 nan 0.000 0.425 344 H N 3.887 122.807 119.070 -0.250 0.000 2.254 344 H HA -0.167 4.389 4.556 0.000 0.000 0.294 344 H C 1.514 176.795 175.328 -0.078 0.000 1.071 344 H CA 2.977 58.989 56.048 -0.060 0.000 1.228 344 H CB 0.349 30.150 29.762 0.066 0.000 1.358 344 H HN 1.079 nan 8.280 nan 0.000 0.495 345 T N -3.191 111.382 114.554 0.033 0.000 4.576 345 T HA -0.129 4.221 4.350 0.000 0.000 0.316 345 T C 0.599 175.360 174.700 0.102 0.000 0.916 345 T CA 1.261 63.363 62.100 0.003 0.000 2.105 345 T CB -2.832 65.978 68.868 -0.095 0.000 1.902 345 T HN 1.113 nan 8.240 nan 0.000 0.973 346 G N 0.239 109.334 108.800 0.491 0.000 3.074 346 G HA2 0.225 4.185 3.960 0.000 0.000 0.339 346 G HA3 0.225 4.185 3.960 0.000 0.000 0.339 346 G C 0.541 175.565 174.900 0.207 0.000 0.185 346 G CA 0.607 45.956 45.100 0.415 0.000 1.253 346 G HN 2.300 nan 8.290 nan 0.000 0.552 347 S N -0.289 115.541 115.700 0.218 0.000 5.659 347 S HA 0.084 4.554 4.470 0.000 0.000 0.135 347 S C 1.866 176.527 174.600 0.102 0.000 1.128 347 S CA 1.187 59.439 58.200 0.088 0.000 1.392 347 S CB -0.480 62.727 63.200 0.012 0.000 1.926 347 S HN 1.513 nan 8.310 nan 0.000 0.537 348 S N 1.570 117.351 115.700 0.135 0.000 2.441 348 S HA 0.084 4.554 4.470 0.000 0.000 0.249 348 S C 1.203 175.852 174.600 0.081 0.000 1.097 348 S CA 2.417 60.693 58.200 0.128 0.000 1.080 348 S CB -1.097 62.300 63.200 0.328 0.000 0.914 348 S HN 2.145 nan 8.310 nan 0.000 0.464 349 G N -1.286 107.554 108.800 0.066 0.000 2.499 349 G HA2 0.211 4.171 3.960 0.000 0.000 0.474 349 G HA3 0.211 4.171 3.960 0.000 0.000 0.474 349 G C 0.344 175.274 174.900 0.050 0.000 1.044 349 G CA 0.092 45.222 45.100 0.051 0.000 1.316 349 G HN 0.717 nan 8.290 nan 0.000 0.617 350 A N 0.644 123.488 122.820 0.041 0.000 2.032 350 A HA 0.193 4.513 4.320 0.000 0.000 0.221 350 A C 2.827 180.429 177.584 0.031 0.000 1.165 350 A CA 2.775 54.832 52.037 0.034 0.000 0.645 350 A CB -0.419 18.596 19.000 0.024 0.000 0.807 350 A HN 2.264 nan 8.150 nan 0.000 0.453 351 A N -0.852 121.989 122.820 0.035 0.000 1.978 351 A HA -0.065 4.255 4.320 0.000 0.000 0.220 351 A C 2.203 179.808 177.584 0.035 0.000 1.170 351 A CA 2.006 54.063 52.037 0.035 0.000 0.636 351 A CB -0.523 18.503 19.000 0.044 0.000 0.810 351 A HN 0.464 nan 8.150 nan 0.000 0.448 352 S N -1.951 113.774 115.700 0.041 0.000 2.556 352 S HA 0.100 4.570 4.470 0.000 0.000 0.216 352 S C 1.260 175.886 174.600 0.042 0.000 0.970 352 S CA 0.703 58.928 58.200 0.041 0.000 0.912 352 S CB 0.245 63.475 63.200 0.051 0.000 0.790 352 S HN 0.553 nan 8.310 nan 0.000 0.504 353 T N 1.743 116.320 114.554 0.039 0.000 3.040 353 T HA 0.177 4.527 4.350 0.000 0.000 0.266 353 T C 0.281 174.993 174.700 0.019 0.000 1.005 353 T CA -0.224 61.898 62.100 0.036 0.000 0.906 353 T CB 0.218 69.115 68.868 0.048 0.000 1.082 353 T HN 0.556 nan 8.240 nan 0.000 0.531 354 Q N 1.205 121.015 119.800 0.015 0.000 2.248 354 Q HA 0.617 4.957 4.340 0.000 0.000 0.263 354 Q C -0.168 175.835 176.000 0.006 0.000 1.007 354 Q CA -0.712 55.096 55.803 0.007 0.000 0.877 354 Q CB 1.507 30.248 28.738 0.006 0.000 1.315 354 Q HN 0.241 nan 8.270 nan 0.000 0.454 355 S N 1.521 117.222 115.700 0.001 0.000 2.606 355 S HA 0.248 4.718 4.470 0.000 0.000 0.257 355 S C 0.668 175.281 174.600 0.021 0.000 1.327 355 S CA -0.467 57.740 58.200 0.012 0.000 0.984 355 S CB 0.235 63.432 63.200 -0.005 0.000 0.941 355 S HN 0.673 nan 8.310 nan 0.000 0.576 356 L N -0.168 121.087 121.223 0.053 0.000 3.510 356 L HA 0.571 4.912 4.340 0.000 0.000 0.324 356 L C -0.500 176.475 176.870 0.175 0.000 1.307 356 L CA -0.193 54.692 54.840 0.074 0.000 1.011 356 L CB -0.064 42.025 42.059 0.050 0.000 1.422 356 L HN 0.666 nan 8.230 nan 0.000 0.617 357 F N 0.000 119.964 119.950 0.024 0.000 2.286 357 F HA 0.000 4.527 4.527 0.000 0.000 0.279 357 F CA 0.000 58.012 58.000 0.020 0.000 1.383 357 F CB 0.000 39.046 39.000 0.077 0.000 1.145 357 F HN 0.000 nan 8.300 nan 0.000 0.574