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 1t02_1_B DATA FIRST_RESID 4 DATA SEQUENCE DSRLPAFRNL SPAARLDHIG QLLGLSHDDV SLLANAGALP MDIANGMIEN DATA SEQUENCE VIGTFELPYA VASNFQINGR DVLVPLVVEE PSIVAAASYM AKLARANGGF DATA SEQUENCE TTSSSAPLMH AQVQIVGIQD PLNARLSLLR RKDEIIELAN RKDQLLNSLG DATA SEQUENCE GGCRDIEVHT FADTPRGPML VAHLIVDVRD AMGANTVNTM AEAVAPLMEA DATA SEQUENCE ITGGQVRLRI LSNLADLRLA RAQVRITPQQ LETAEFSGEA VIEGILDAYA DATA SEQUENCE FAAVDPYRAA THNKGIMNGI DPLIVATGND WRAVEAGAHA YACRSGHYGS DATA SEQUENCE LTTWEKDNNG HLVGTLEMPM PVGLVGGATK THPLAQLSLR ILGVKTAQAL DATA SEQUENCE AEIAVAVGLA QNLGAMRALA TEGI 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 D HA 0.000 nan 4.640 nan 0.000 0.175 4 D C 0.000 176.278 176.300 -0.037 0.000 2.045 4 D CA 0.000 53.993 54.000 -0.011 0.000 0.868 4 D CB 0.000 40.797 40.800 -0.004 0.000 0.688 5 S N 2.462 118.143 115.700 -0.031 0.000 2.562 5 S HA 0.122 4.592 4.470 0.000 0.000 0.221 5 S C 0.888 175.436 174.600 -0.087 0.000 0.975 5 S CA -0.233 57.934 58.200 -0.056 0.000 0.918 5 S CB -0.036 63.166 63.200 0.003 0.000 0.772 5 S HN 0.385 nan 8.310 nan 0.000 0.531 6 R N 1.578 122.040 120.500 -0.064 0.000 2.351 6 R HA 0.329 4.669 4.340 0.000 0.000 0.318 6 R C -0.842 175.396 176.300 -0.103 0.000 1.055 6 R CA 0.150 56.214 56.100 -0.060 0.000 0.968 6 R CB 0.179 30.465 30.300 -0.024 0.000 0.974 6 R HN 0.375 nan 8.270 nan 0.000 0.439 7 L N 6.074 127.213 121.223 -0.140 0.000 2.356 7 L HA 0.366 4.706 4.340 0.000 0.000 0.264 7 L C -2.202 174.676 176.870 0.013 0.000 1.029 7 L CA -2.295 52.436 54.840 -0.182 0.000 0.897 7 L CB 1.283 42.986 42.059 -0.593 0.000 1.256 7 L HN 0.294 nan 8.230 nan 0.000 0.444 8 P HA 0.177 nan 4.420 nan 0.000 0.271 8 P C 0.574 177.960 177.300 0.144 0.000 1.216 8 P CA -0.082 63.071 63.100 0.089 0.000 0.771 8 P CB 1.239 32.982 31.700 0.071 0.000 0.864 9 A N 1.727 124.621 122.820 0.124 0.000 2.826 9 A HA -0.277 4.043 4.320 0.000 0.000 0.274 9 A C 1.051 178.746 177.584 0.185 0.000 1.443 9 A CA 0.936 53.046 52.037 0.122 0.000 0.833 9 A CB -2.804 16.253 19.000 0.094 0.000 1.023 9 A HN 0.506 nan 8.150 nan 0.000 0.600 10 F N 1.047 121.021 119.950 0.039 0.000 2.206 10 F HA -0.059 4.468 4.527 0.000 0.000 0.298 10 F C 2.241 178.061 175.800 0.034 0.000 1.090 10 F CA 1.709 59.734 58.000 0.042 0.000 1.323 10 F CB -0.161 38.846 39.000 0.012 0.000 1.028 10 F HN 0.560 nan 8.300 nan 0.000 0.492 11 R N -0.278 120.280 120.500 0.097 0.000 2.346 11 R HA 0.013 4.353 4.340 0.000 0.000 0.199 11 R C 0.601 176.876 176.300 -0.042 0.000 1.015 11 R CA 0.980 57.076 56.100 -0.006 0.000 1.058 11 R CB -0.653 29.669 30.300 0.038 0.000 0.921 11 R HN 0.262 nan 8.270 nan 0.000 0.475 12 N N 0.023 118.700 118.700 -0.037 0.000 2.317 12 N HA 0.085 4.825 4.740 0.000 0.000 0.199 12 N C -0.163 175.314 175.510 -0.054 0.000 1.145 12 N CA -0.085 52.946 53.050 -0.032 0.000 0.882 12 N CB 0.314 38.800 38.487 -0.002 0.000 1.113 12 N HN 0.030 nan 8.380 nan 0.000 0.486 13 L N 2.034 123.206 121.223 -0.085 0.000 2.483 13 L HA 0.066 4.406 4.340 0.000 0.000 0.275 13 L C 1.165 177.956 176.870 -0.131 0.000 1.220 13 L CA -0.006 54.777 54.840 -0.095 0.000 0.833 13 L CB 0.210 42.197 42.059 -0.120 0.000 1.102 13 L HN 0.112 nan 8.230 nan 0.000 0.490 14 S N 2.045 117.693 115.700 -0.087 0.000 2.614 14 S HA 0.327 4.797 4.470 0.000 0.000 0.265 14 S C -1.880 172.657 174.600 -0.104 0.000 1.303 14 S CA -0.995 57.158 58.200 -0.079 0.000 1.000 14 S CB 0.523 63.696 63.200 -0.045 0.000 0.935 14 S HN 0.500 nan 8.310 nan 0.000 0.551 15 P HA -0.103 nan 4.420 nan 0.000 0.216 15 P C 1.573 178.847 177.300 -0.043 0.000 1.153 15 P CA 2.016 65.070 63.100 -0.077 0.000 0.858 15 P CB -0.234 31.440 31.700 -0.044 0.000 0.789 16 A N -0.391 122.413 122.820 -0.026 0.000 1.972 16 A HA -0.078 4.242 4.320 0.000 0.000 0.219 16 A C 2.260 179.851 177.584 0.011 0.000 1.169 16 A CA 1.943 53.977 52.037 -0.004 0.000 0.635 16 A CB -1.478 17.519 19.000 -0.005 0.000 0.810 16 A HN 0.206 nan 8.150 nan 0.000 0.446 17 A N -0.382 122.437 122.820 -0.002 0.000 1.970 17 A HA -0.036 4.284 4.320 0.000 0.000 0.216 17 A C 2.213 179.850 177.584 0.088 0.000 1.170 17 A CA 1.133 53.185 52.037 0.026 0.000 0.645 17 A CB -0.340 18.663 19.000 0.004 0.000 0.816 17 A HN 0.527 nan 8.150 nan 0.000 0.447 18 R N -1.073 119.426 120.500 -0.002 0.000 2.075 18 R HA -0.070 4.270 4.340 0.000 0.000 0.232 18 R C 2.088 178.537 176.300 0.248 0.000 1.126 18 R CA 1.360 57.468 56.100 0.015 0.000 0.963 18 R CB -0.522 29.511 30.300 -0.445 0.000 0.858 18 R HN 0.469 nan 8.270 nan 0.000 0.435 19 L N 1.453 122.754 121.223 0.130 0.000 2.017 19 L HA -0.166 4.174 4.340 0.000 0.000 0.208 19 L C 1.520 178.476 176.870 0.143 0.000 1.073 19 L CA 1.986 56.903 54.840 0.127 0.000 0.745 19 L CB -0.662 41.433 42.059 0.059 0.000 0.894 19 L HN 0.040 nan 8.230 nan 0.000 0.432 20 D N -1.687 118.788 120.400 0.124 0.000 2.106 20 D HA -0.281 4.359 4.640 0.000 0.000 0.191 20 D C 2.206 178.611 176.300 0.174 0.000 0.997 20 D CA 1.491 55.558 54.000 0.112 0.000 0.834 20 D CB -0.049 40.794 40.800 0.073 0.000 0.956 20 D HN 0.478 nan 8.370 nan 0.000 0.448 21 H N 0.215 119.360 119.070 0.125 0.000 2.267 21 H HA -0.107 4.449 4.556 0.000 0.000 0.297 21 H C 2.117 177.516 175.328 0.117 0.000 1.080 21 H CA 1.186 57.322 56.048 0.146 0.000 1.278 21 H CB -0.528 29.395 29.762 0.267 0.000 1.365 21 H HN 0.164 nan 8.280 nan 0.000 0.489 22 I N 0.435 121.168 120.570 0.272 0.000 2.423 22 I HA -0.173 3.997 4.170 0.000 0.000 0.254 22 I C 2.702 178.888 176.117 0.115 0.000 1.151 22 I CA 1.218 62.594 61.300 0.126 0.000 1.421 22 I CB -1.754 36.328 38.000 0.136 0.000 1.079 22 I HN 0.315 nan 8.210 nan 0.000 0.431 23 G N -0.032 108.846 108.800 0.130 0.000 2.414 23 G HA2 -0.269 3.691 3.960 0.000 0.000 0.215 23 G HA3 -0.269 3.691 3.960 0.000 0.000 0.215 23 G C 1.624 176.577 174.900 0.088 0.000 1.188 23 G CA 0.440 45.595 45.100 0.092 0.000 0.783 23 G HN 0.303 nan 8.290 nan 0.000 0.537 24 Q N -0.343 119.523 119.800 0.110 0.000 2.079 24 Q HA 0.133 4.473 4.340 0.000 0.000 0.200 24 Q C 2.517 178.575 176.000 0.096 0.000 0.974 24 Q CA 0.694 56.552 55.803 0.093 0.000 0.840 24 Q CB -0.377 28.413 28.738 0.086 0.000 0.898 24 Q HN 0.467 nan 8.270 nan 0.000 0.430 25 L N -0.328 120.973 121.223 0.131 0.000 1.970 25 L HA -0.217 4.123 4.340 0.000 0.000 0.212 25 L C 1.713 178.613 176.870 0.050 0.000 1.071 25 L CA 1.444 56.338 54.840 0.090 0.000 0.751 25 L CB -0.175 41.917 42.059 0.055 0.000 0.889 25 L HN 0.307 nan 8.230 nan 0.000 0.432 26 L N -0.549 120.700 121.223 0.044 0.000 2.554 26 L HA 0.091 4.431 4.340 0.000 0.000 0.226 26 L C 1.172 178.062 176.870 0.034 0.000 1.137 26 L CA 0.496 55.355 54.840 0.032 0.000 0.863 26 L CB -0.505 41.571 42.059 0.029 0.000 0.985 26 L HN 0.565 nan 8.230 nan 0.000 0.451 27 G N 1.231 110.056 108.800 0.042 0.000 2.298 27 G HA2 -0.267 3.693 3.960 0.000 0.000 0.287 27 G HA3 -0.267 3.693 3.960 0.000 0.000 0.287 27 G C 0.047 174.968 174.900 0.036 0.000 1.075 27 G CA -0.159 44.965 45.100 0.039 0.000 0.960 27 G HN 0.225 nan 8.290 nan 0.000 0.502 28 L N 0.592 121.839 121.223 0.039 0.000 2.436 28 L HA 0.507 4.847 4.340 0.000 0.000 0.265 28 L C 1.506 178.398 176.870 0.036 0.000 1.168 28 L CA -0.186 54.672 54.840 0.030 0.000 0.815 28 L CB 0.944 43.019 42.059 0.027 0.000 1.109 28 L HN 0.486 nan 8.230 nan 0.000 0.462 29 S N -0.554 115.160 115.700 0.024 0.000 2.624 29 S HA 0.058 4.528 4.470 0.000 0.000 0.263 29 S C 1.084 175.703 174.600 0.032 0.000 1.287 29 S CA -0.450 57.776 58.200 0.043 0.000 0.990 29 S CB 0.689 63.901 63.200 0.020 0.000 0.950 29 S HN 0.825 nan 8.310 nan 0.000 0.561 30 H N 0.209 119.284 119.070 0.007 0.000 2.423 30 H HA -0.058 4.498 4.556 0.000 0.000 0.297 30 H C 0.727 176.055 175.328 0.001 0.000 1.075 30 H CA 1.570 57.621 56.048 0.005 0.000 1.342 30 H CB -0.752 29.012 29.762 0.004 0.000 1.395 30 H HN 0.657 nan 8.280 nan 0.000 0.530 31 D N 1.124 120.986 120.400 -0.898 0.000 2.221 31 D HA -0.115 4.525 4.640 0.000 0.000 0.204 31 D C 1.270 177.406 176.300 -0.274 0.000 0.982 31 D CA 1.070 54.683 54.000 -0.644 0.000 0.857 31 D CB 0.058 40.623 40.800 -0.392 0.000 0.934 31 D HN 0.511 nan 8.370 nan 0.000 0.475 32 D N 0.030 120.324 120.400 -0.176 0.000 2.149 32 D HA -0.050 4.590 4.640 0.000 0.000 0.206 32 D C 2.411 178.662 176.300 -0.082 0.000 0.967 32 D CA 0.248 54.190 54.000 -0.096 0.000 0.848 32 D CB -0.315 40.454 40.800 -0.052 0.000 0.998 32 D HN 0.020 nan 8.370 nan 0.000 0.474 33 V N 1.347 121.226 119.914 -0.058 0.000 2.380 33 V HA -0.228 3.892 4.120 0.000 0.000 0.251 33 V C 2.424 178.493 176.094 -0.041 0.000 1.063 33 V CA 1.656 63.939 62.300 -0.028 0.000 1.055 33 V CB -0.550 31.284 31.823 0.018 0.000 0.657 33 V HN 0.125 nan 8.190 nan 0.000 0.455 34 S N -0.149 115.515 115.700 -0.060 0.000 2.399 34 S HA -0.093 4.377 4.470 0.000 0.000 0.231 34 S C 1.851 176.416 174.600 -0.058 0.000 1.022 34 S CA 1.272 59.444 58.200 -0.047 0.000 0.983 34 S CB -0.338 62.823 63.200 -0.065 0.000 0.803 34 S HN 0.509 nan 8.310 nan 0.000 0.480 35 L N 0.523 121.699 121.223 -0.078 0.000 2.131 35 L HA -0.084 4.256 4.340 0.000 0.000 0.210 35 L C 1.978 178.792 176.870 -0.092 0.000 1.092 35 L CA 1.060 55.855 54.840 -0.075 0.000 0.759 35 L CB -0.373 41.641 42.059 -0.076 0.000 0.903 35 L HN 0.318 nan 8.230 nan 0.000 0.435 36 L N -1.348 119.808 121.223 -0.111 0.000 2.316 36 L HA 0.107 4.447 4.340 0.000 0.000 0.207 36 L C 2.549 179.376 176.870 -0.072 0.000 1.070 36 L CA 0.488 55.247 54.840 -0.135 0.000 0.820 36 L CB -0.365 41.584 42.059 -0.184 0.000 0.992 36 L HN 0.092 nan 8.230 nan 0.000 0.466 37 A N -0.450 122.343 122.820 -0.045 0.000 2.209 37 A HA 0.019 4.339 4.320 0.000 0.000 0.212 37 A C 0.496 178.068 177.584 -0.019 0.000 1.158 37 A CA 0.606 52.629 52.037 -0.023 0.000 0.742 37 A CB -0.325 18.671 19.000 -0.006 0.000 0.790 37 A HN 0.389 nan 8.150 nan 0.000 0.472 38 N N -0.349 118.335 118.700 -0.026 0.000 2.371 38 N HA 0.462 5.202 4.740 0.000 0.000 0.291 38 N C -0.614 174.883 175.510 -0.022 0.000 1.053 38 N CA -0.058 52.981 53.050 -0.019 0.000 0.870 38 N CB 1.956 40.435 38.487 -0.014 0.000 1.503 38 N HN 0.198 nan 8.380 nan 0.000 0.485 39 A N 0.409 123.218 122.820 -0.018 0.000 2.507 39 A HA 0.488 4.808 4.320 0.000 0.000 0.235 39 A C 1.278 178.853 177.584 -0.015 0.000 1.070 39 A CA 1.020 53.047 52.037 -0.016 0.000 0.768 39 A CB -0.272 18.718 19.000 -0.017 0.000 1.011 39 A HN 1.044 nan 8.150 nan 0.000 0.502 40 G N -0.566 108.227 108.800 -0.012 0.000 2.131 40 G HA2 0.131 4.091 3.960 0.000 0.000 0.201 40 G HA3 0.131 4.091 3.960 0.000 0.000 0.201 40 G C 0.942 175.827 174.900 -0.026 0.000 1.000 40 G CA 0.875 45.965 45.100 -0.016 0.000 0.680 40 G HN 1.941 nan 8.290 nan 0.000 0.514 41 A N -0.892 121.915 122.820 -0.022 0.000 1.978 41 A HA 0.305 4.625 4.320 0.000 0.000 0.220 41 A C 1.428 178.965 177.584 -0.079 0.000 1.170 41 A CA 1.752 53.769 52.037 -0.033 0.000 0.636 41 A CB -0.005 18.994 19.000 -0.001 0.000 0.810 41 A HN 1.374 nan 8.150 nan 0.000 0.448 42 L N 2.194 123.350 121.223 -0.112 0.000 2.270 42 L HA 0.365 4.705 4.340 0.000 0.000 0.286 42 L C -2.227 174.579 176.870 -0.106 0.000 1.059 42 L CA -2.387 52.330 54.840 -0.205 0.000 0.839 42 L CB 0.857 42.730 42.059 -0.309 0.000 1.221 42 L HN 0.069 nan 8.230 nan 0.000 0.431 43 P HA 0.027 nan 4.420 nan 0.000 0.271 43 P C 0.763 178.038 177.300 -0.042 0.000 1.216 43 P CA -0.440 62.629 63.100 -0.051 0.000 0.776 43 P CB 0.839 32.513 31.700 -0.044 0.000 0.881 44 M N 1.831 121.417 119.600 -0.024 0.000 2.202 44 M HA -0.152 4.328 4.480 0.000 0.000 0.262 44 M C 1.675 177.967 176.300 -0.013 0.000 1.063 44 M CA 1.738 57.030 55.300 -0.013 0.000 1.097 44 M CB -1.330 31.267 32.600 -0.005 0.000 1.382 44 M HN 0.536 nan 8.290 nan 0.000 0.413 45 D N -0.386 120.005 120.400 -0.016 0.000 2.219 45 D HA -0.162 4.478 4.640 0.000 0.000 0.205 45 D C 1.749 178.039 176.300 -0.016 0.000 0.970 45 D CA 0.971 54.964 54.000 -0.013 0.000 0.851 45 D CB -0.101 40.692 40.800 -0.012 0.000 0.943 45 D HN 0.264 nan 8.370 nan 0.000 0.488 46 I N 1.653 122.207 120.570 -0.027 0.000 2.400 46 I HA -0.038 4.132 4.170 0.000 0.000 0.248 46 I C 2.844 178.946 176.117 -0.024 0.000 1.109 46 I CA 0.708 61.990 61.300 -0.030 0.000 1.425 46 I CB -1.228 36.739 38.000 -0.055 0.000 1.094 46 I HN 0.014 nan 8.210 nan 0.000 0.425 47 A N 0.848 123.652 122.820 -0.027 0.000 1.972 47 A HA -0.239 4.081 4.320 0.000 0.000 0.219 47 A C 2.000 179.589 177.584 0.008 0.000 1.169 47 A CA 1.968 54.000 52.037 -0.007 0.000 0.635 47 A CB -0.877 18.121 19.000 -0.003 0.000 0.810 47 A HN 0.443 nan 8.150 nan 0.000 0.446 48 N N -0.321 118.381 118.700 0.003 0.000 2.521 48 N HA 0.039 4.779 4.740 0.000 0.000 0.188 48 N C 1.325 176.839 175.510 0.005 0.000 1.146 48 N CA 1.072 54.126 53.050 0.007 0.000 0.893 48 N CB -0.164 38.325 38.487 0.004 0.000 0.975 48 N HN 0.325 nan 8.380 nan 0.000 0.451 49 G N -0.886 107.916 108.800 0.004 0.000 2.762 49 G HA2 0.055 4.015 3.960 0.000 0.000 0.209 49 G HA3 0.055 4.015 3.960 0.000 0.000 0.209 49 G C 1.350 176.255 174.900 0.008 0.000 1.134 49 G CA -0.051 45.051 45.100 0.004 0.000 0.781 49 G HN 0.228 nan 8.290 nan 0.000 0.528 50 M N 0.162 119.770 119.600 0.014 0.000 2.134 50 M HA 0.217 4.697 4.480 0.000 0.000 0.262 50 M C 0.613 176.922 176.300 0.015 0.000 1.076 50 M CA 1.002 56.314 55.300 0.020 0.000 1.143 50 M CB -0.079 32.544 32.600 0.039 0.000 1.346 50 M HN -0.022 nan 8.290 nan 0.000 0.421 51 I N -0.424 120.156 120.570 0.018 0.000 3.205 51 I HA 0.206 4.376 4.170 0.000 0.000 0.310 51 I C 0.977 177.100 176.117 0.009 0.000 1.089 51 I CA -0.205 61.103 61.300 0.013 0.000 1.023 51 I CB 1.037 39.051 38.000 0.022 0.000 1.269 51 I HN 0.014 nan 8.210 nan 0.000 0.512 52 E N 1.129 121.332 120.200 0.005 0.000 2.065 52 E HA 0.040 4.390 4.350 0.000 0.000 0.191 52 E C 0.105 176.709 176.600 0.007 0.000 0.960 52 E CA 0.958 57.360 56.400 0.004 0.000 0.824 52 E CB 0.072 29.771 29.700 -0.001 0.000 0.793 52 E HN 0.400 nan 8.360 nan 0.000 0.459 53 N N 0.754 119.459 118.700 0.009 0.000 3.025 53 N HA 0.152 4.892 4.740 0.000 0.000 0.315 53 N C -1.179 174.342 175.510 0.017 0.000 1.511 53 N CA -0.097 52.959 53.050 0.011 0.000 1.097 53 N CB 0.756 39.249 38.487 0.009 0.000 1.395 53 N HN -0.101 nan 8.380 nan 0.000 0.511 54 V N 1.536 121.462 119.914 0.019 0.000 2.763 54 V HA 0.071 4.191 4.120 0.000 0.000 0.306 54 V C 1.693 177.803 176.094 0.026 0.000 1.059 54 V CA 0.281 62.597 62.300 0.027 0.000 1.138 54 V CB 0.649 32.487 31.823 0.025 0.000 0.940 54 V HN 0.464 nan 8.190 nan 0.000 0.489 55 I N 0.235 120.826 120.570 0.034 0.000 4.541 55 I HA 0.724 4.894 4.170 0.000 0.000 0.337 55 I C 0.504 176.643 176.117 0.036 0.000 1.338 55 I CA 0.351 61.670 61.300 0.031 0.000 1.244 55 I CB 0.751 38.771 38.000 0.032 0.000 1.417 55 I HN 0.755 nan 8.210 nan 0.000 0.501 56 G N 1.607 110.434 108.800 0.045 0.000 2.367 56 G HA2 0.379 4.339 3.960 0.000 0.000 0.272 56 G HA3 0.379 4.339 3.960 0.000 0.000 0.272 56 G C -1.031 173.910 174.900 0.069 0.000 1.271 56 G CA 0.151 45.279 45.100 0.048 0.000 0.893 56 G HN 0.327 nan 8.290 nan 0.000 0.485 57 T N -2.281 112.320 114.554 0.078 0.000 2.906 57 T HA 0.722 5.072 4.350 0.000 0.000 0.295 57 T C -1.500 173.294 174.700 0.157 0.000 1.061 57 T CA -0.588 61.581 62.100 0.115 0.000 1.000 57 T CB 2.412 71.329 68.868 0.081 0.000 1.103 57 T HN 1.104 nan 8.240 nan 0.000 0.486 58 F N 0.853 120.830 119.950 0.045 0.000 2.458 58 F HA 0.604 5.131 4.527 0.000 0.000 0.336 58 F C -0.049 175.777 175.800 0.044 0.000 1.114 58 F CA -0.655 57.369 58.000 0.040 0.000 0.987 58 F CB 1.586 40.611 39.000 0.042 0.000 1.130 58 F HN 0.719 nan 8.300 nan 0.000 0.458 59 E N 5.609 125.662 120.200 -0.245 0.000 2.202 59 E HA 0.623 4.973 4.350 0.000 0.000 0.272 59 E C -1.262 175.307 176.600 -0.052 0.000 0.951 59 E CA -0.777 55.578 56.400 -0.076 0.000 0.813 59 E CB 2.455 32.090 29.700 -0.108 0.000 1.151 59 E HN 0.541 nan 8.360 nan 0.000 0.398 60 L N 2.569 123.832 121.223 0.067 0.000 2.409 60 L HA 0.480 4.820 4.340 0.000 0.000 0.262 60 L C -2.350 174.557 176.870 0.062 0.000 0.992 60 L CA -2.248 52.636 54.840 0.074 0.000 0.817 60 L CB 2.080 44.200 42.059 0.102 0.000 1.350 60 L HN 0.360 nan 8.230 nan 0.000 0.411 61 P HA 0.005 nan 4.420 nan 0.000 0.266 61 P C -1.571 175.787 177.300 0.097 0.000 1.195 61 P CA 0.251 63.387 63.100 0.060 0.000 0.768 61 P CB 0.127 31.845 31.700 0.030 0.000 0.838 62 Y N 2.575 122.872 120.300 -0.005 0.000 2.587 62 Y HA 0.566 5.116 4.550 0.000 0.000 0.328 62 Y C -0.141 175.765 175.900 0.010 0.000 0.980 62 Y CA -0.705 57.393 58.100 -0.004 0.000 1.272 62 Y CB 0.333 38.793 38.460 -0.001 0.000 1.094 62 Y HN 0.496 nan 8.280 nan 0.000 0.503 63 A N 3.979 126.789 122.820 -0.016 0.000 2.298 63 A HA 0.868 5.188 4.320 0.000 0.000 0.302 63 A C -1.332 176.251 177.584 -0.003 0.000 1.177 63 A CA -0.698 51.368 52.037 0.048 0.000 0.912 63 A CB 1.208 20.221 19.000 0.022 0.000 1.331 63 A HN 0.495 nan 8.150 nan 0.000 0.504 64 V N 0.120 120.094 119.914 0.101 0.000 2.610 64 V HA 0.550 4.670 4.120 0.000 0.000 0.298 64 V C 0.298 176.457 176.094 0.108 0.000 1.067 64 V CA -0.316 62.037 62.300 0.087 0.000 0.894 64 V CB 1.041 32.965 31.823 0.169 0.000 1.015 64 V HN 1.304 nan 8.190 nan 0.000 0.432 65 A N 4.039 126.895 122.820 0.060 0.000 2.351 65 A HA 0.832 5.152 4.320 0.000 0.000 0.257 65 A C 0.544 178.214 177.584 0.143 0.000 1.087 65 A CA 0.250 52.372 52.037 0.141 0.000 0.798 65 A CB 0.696 19.817 19.000 0.201 0.000 1.033 65 A HN 1.213 nan 8.150 nan 0.000 0.488 66 S N 0.624 116.415 115.700 0.151 0.000 2.689 66 S HA 0.627 5.097 4.470 0.000 0.000 0.306 66 S C 0.357 175.005 174.600 0.080 0.000 1.104 66 S CA -0.253 57.980 58.200 0.055 0.000 0.973 66 S CB 1.301 64.467 63.200 -0.056 0.000 1.121 66 S HN 0.889 nan 8.310 nan 0.000 0.523 67 N N -1.383 117.329 118.700 0.020 0.000 2.951 67 N HA -0.170 4.570 4.740 0.000 0.000 0.213 67 N C -0.655 174.848 175.510 -0.011 0.000 0.877 67 N CA 1.212 54.249 53.050 -0.020 0.000 1.042 67 N CB -1.717 36.730 38.487 -0.066 0.000 1.005 67 N HN 0.647 nan 8.380 nan 0.000 0.604 68 F N 1.952 121.938 119.950 0.060 0.000 2.607 68 F HA 0.068 4.595 4.527 0.000 0.000 0.374 68 F C 1.258 177.117 175.800 0.098 0.000 1.104 68 F CA 0.929 58.992 58.000 0.105 0.000 1.296 68 F CB 0.379 39.377 39.000 -0.003 0.000 1.085 68 F HN 0.008 nan 8.300 nan 0.000 0.584 69 Q N 4.270 124.270 119.800 0.333 0.000 2.292 69 Q HA 0.455 4.795 4.340 0.000 0.000 0.270 69 Q C -1.719 174.458 176.000 0.295 0.000 1.024 69 Q CA -0.654 55.284 55.803 0.225 0.000 0.768 69 Q CB 1.139 29.948 28.738 0.118 0.000 1.250 69 Q HN 0.445 nan 8.270 nan 0.000 0.447 70 I N 4.487 125.170 120.570 0.189 0.000 2.382 70 I HA 0.277 4.447 4.170 0.000 0.000 0.285 70 I C -0.250 175.925 176.117 0.096 0.000 1.007 70 I CA -0.491 60.904 61.300 0.158 0.000 1.142 70 I CB 1.068 39.119 38.000 0.086 0.000 1.289 70 I HN 0.840 nan 8.210 nan 0.000 0.453 71 N N 5.287 124.043 118.700 0.093 0.000 2.725 71 N HA -0.216 4.524 4.740 0.000 0.000 0.249 71 N C 1.153 176.687 175.510 0.040 0.000 1.103 71 N CA 1.386 54.468 53.050 0.054 0.000 0.707 71 N CB -0.848 37.662 38.487 0.038 0.000 1.043 71 N HN 1.128 nan 8.380 nan 0.000 0.553 72 G N -1.797 107.031 108.800 0.046 0.000 2.358 72 G HA2 -0.328 3.632 3.960 0.000 0.000 0.224 72 G HA3 -0.328 3.632 3.960 0.000 0.000 0.224 72 G C 0.046 174.967 174.900 0.034 0.000 1.073 72 G CA 0.235 45.353 45.100 0.031 0.000 0.635 72 G HN 0.369 nan 8.290 nan 0.000 0.509 73 R N 1.970 122.493 120.500 0.038 0.000 2.490 73 R HA 0.496 4.836 4.340 0.000 0.000 0.280 73 R C -0.549 175.780 176.300 0.049 0.000 1.077 73 R CA -0.419 55.701 56.100 0.034 0.000 1.065 73 R CB 0.362 30.677 30.300 0.025 0.000 1.003 73 R HN 0.340 nan 8.270 nan 0.000 0.470 74 D N 0.377 120.801 120.400 0.040 0.000 2.312 74 D HA 0.410 5.050 4.640 0.000 0.000 0.248 74 D C -0.421 175.905 176.300 0.043 0.000 1.086 74 D CA -0.299 53.731 54.000 0.050 0.000 0.948 74 D CB 1.484 42.302 40.800 0.030 0.000 1.162 74 D HN 0.090 nan 8.370 nan 0.000 0.446 75 V N 1.281 121.230 119.914 0.058 0.000 3.077 75 V HA 0.347 4.467 4.120 0.000 0.000 0.299 75 V C -1.632 174.478 176.094 0.027 0.000 1.276 75 V CA -0.733 61.583 62.300 0.027 0.000 0.993 75 V CB 1.879 33.706 31.823 0.008 0.000 1.076 75 V HN 0.390 nan 8.190 nan 0.000 0.434 76 L N 5.650 126.867 121.223 -0.010 0.000 2.275 76 L HA 0.640 4.980 4.340 0.000 0.000 0.288 76 L C -0.622 176.213 176.870 -0.059 0.000 1.046 76 L CA -0.805 54.021 54.840 -0.023 0.000 0.805 76 L CB 1.737 43.777 42.059 -0.032 0.000 1.193 76 L HN 0.444 nan 8.230 nan 0.000 0.426 77 V N 4.824 124.682 119.914 -0.094 0.000 2.347 77 V HA 0.341 4.461 4.120 0.000 0.000 0.280 77 V C -2.068 173.930 176.094 -0.161 0.000 1.021 77 V CA -1.617 60.571 62.300 -0.187 0.000 0.847 77 V CB 1.299 32.889 31.823 -0.389 0.000 0.990 77 V HN 0.592 nan 8.190 nan 0.000 0.444 78 P HA 0.479 nan 4.420 nan 0.000 0.287 78 P C -1.196 175.877 177.300 -0.379 0.000 1.281 78 P CA -0.269 62.640 63.100 -0.319 0.000 0.781 78 P CB 1.439 32.947 31.700 -0.320 0.000 0.903 79 L N 3.387 124.373 121.223 -0.395 0.000 2.410 79 L HA 0.494 4.834 4.340 0.000 0.000 0.270 79 L C -0.333 176.355 176.870 -0.304 0.000 0.983 79 L CA -1.150 53.513 54.840 -0.296 0.000 0.822 79 L CB 2.642 44.592 42.059 -0.182 0.000 1.285 79 L HN 0.053 nan 8.230 nan 0.000 0.409 80 V N 4.042 123.806 119.914 -0.250 0.000 2.326 80 V HA 0.640 4.760 4.120 0.000 0.000 0.281 80 V C -0.289 175.723 176.094 -0.137 0.000 1.015 80 V CA -0.432 61.764 62.300 -0.172 0.000 0.823 80 V CB 1.885 33.622 31.823 -0.143 0.000 1.009 80 V HN 0.520 nan 8.190 nan 0.000 0.436 81 V N 4.254 124.111 119.914 -0.095 0.000 3.226 81 V HA 0.594 4.714 4.120 0.000 0.000 0.304 81 V C 0.058 176.125 176.094 -0.044 0.000 1.336 81 V CA -0.314 61.933 62.300 -0.089 0.000 1.066 81 V CB 2.742 34.511 31.823 -0.090 0.000 1.087 81 V HN 0.838 nan 8.190 nan 0.000 0.451 82 E N 1.418 121.597 120.200 -0.036 0.000 2.511 82 E HA 0.166 4.516 4.350 0.000 0.000 0.209 82 E C 0.272 176.868 176.600 -0.006 0.000 0.986 82 E CA 0.026 56.422 56.400 -0.006 0.000 0.974 82 E CB 0.485 30.194 29.700 0.014 0.000 1.030 82 E HN 0.728 nan 8.360 nan 0.000 0.490 83 E N 2.960 123.152 120.200 -0.015 0.000 2.227 83 E HA 0.264 4.614 4.350 0.000 0.000 0.282 83 E C -2.066 174.534 176.600 -0.001 0.000 1.015 83 E CA -2.363 54.033 56.400 -0.006 0.000 0.823 83 E CB 1.123 30.818 29.700 -0.009 0.000 1.081 83 E HN -0.007 nan 8.360 nan 0.000 0.396 84 P HA 0.068 nan 4.420 nan 0.000 0.274 84 P C -0.317 176.993 177.300 0.016 0.000 1.246 84 P CA -0.153 62.953 63.100 0.010 0.000 0.795 84 P CB 1.094 32.800 31.700 0.010 0.000 1.006 85 S N -1.291 114.422 115.700 0.022 0.000 2.361 85 S HA -0.189 4.281 4.470 0.000 0.000 0.247 85 S C 1.357 175.982 174.600 0.042 0.000 1.218 85 S CA 1.099 59.318 58.200 0.032 0.000 1.502 85 S CB -2.015 61.203 63.200 0.030 0.000 1.893 85 S HN 0.558 nan 8.310 nan 0.000 0.610 86 I N 1.108 121.697 120.570 0.031 0.000 2.113 86 I HA -0.180 3.990 4.170 0.000 0.000 0.238 86 I C 2.248 178.399 176.117 0.055 0.000 1.070 86 I CA 1.890 63.210 61.300 0.034 0.000 1.332 86 I CB -0.455 37.551 38.000 0.009 0.000 1.044 86 I HN 0.280 nan 8.210 nan 0.000 0.402 87 V N 1.098 121.042 119.914 0.050 0.000 2.343 87 V HA -0.278 3.842 4.120 0.000 0.000 0.247 87 V C 2.711 178.869 176.094 0.106 0.000 1.051 87 V CA 1.930 64.276 62.300 0.075 0.000 1.036 87 V CB -1.090 30.770 31.823 0.061 0.000 0.654 87 V HN 0.499 nan 8.190 nan 0.000 0.451 88 A N 0.037 122.908 122.820 0.086 0.000 1.902 88 A HA -0.122 4.198 4.320 0.000 0.000 0.217 88 A C 2.404 180.067 177.584 0.133 0.000 1.181 88 A CA 2.219 54.311 52.037 0.092 0.000 0.623 88 A CB -0.727 18.307 19.000 0.056 0.000 0.818 88 A HN 0.569 nan 8.150 nan 0.000 0.443 89 A N -0.350 122.545 122.820 0.126 0.000 1.897 89 A HA 0.274 4.594 4.320 0.000 0.000 0.215 89 A C 2.512 180.187 177.584 0.151 0.000 1.181 89 A CA 1.805 53.931 52.037 0.148 0.000 0.620 89 A CB -1.025 18.037 19.000 0.102 0.000 0.821 89 A HN 1.014 nan 8.150 nan 0.000 0.443 90 A N -0.182 122.734 122.820 0.160 0.000 1.883 90 A HA -0.114 4.206 4.320 0.000 0.000 0.217 90 A C 2.460 180.165 177.584 0.201 0.000 1.186 90 A CA 2.261 54.441 52.037 0.238 0.000 0.624 90 A CB -0.978 18.194 19.000 0.287 0.000 0.822 90 A HN 0.460 nan 8.150 nan 0.000 0.444 91 S N -1.520 114.300 115.700 0.200 0.000 2.356 91 S HA -0.163 4.307 4.470 0.000 0.000 0.223 91 S C 1.920 176.576 174.600 0.094 0.000 1.032 91 S CA 1.465 59.742 58.200 0.128 0.000 1.005 91 S CB -0.590 62.704 63.200 0.156 0.000 0.867 91 S HN 0.656 nan 8.310 nan 0.000 0.449 92 Y N 1.753 122.047 120.300 -0.009 0.000 2.145 92 Y HA -0.086 4.464 4.550 0.000 0.000 0.286 92 Y C 2.238 178.106 175.900 -0.054 0.000 1.145 92 Y CA 1.224 59.309 58.100 -0.025 0.000 1.148 92 Y CB -0.764 37.693 38.460 -0.005 0.000 0.981 92 Y HN 0.124 nan 8.280 nan 0.000 0.507 93 M N 0.203 119.731 119.600 -0.121 0.000 2.159 93 M HA -0.112 4.368 4.480 0.000 0.000 0.263 93 M C 2.342 178.525 176.300 -0.196 0.000 1.063 93 M CA 1.793 56.963 55.300 -0.217 0.000 1.110 93 M CB -1.040 31.524 32.600 -0.059 0.000 1.374 93 M HN 0.335 nan 8.290 nan 0.000 0.411 94 A N -0.949 121.724 122.820 -0.245 0.000 1.969 94 A HA -0.204 4.116 4.320 0.000 0.000 0.218 94 A C 2.203 179.634 177.584 -0.256 0.000 1.169 94 A CA 1.855 53.655 52.037 -0.395 0.000 0.635 94 A CB -0.675 17.641 19.000 -1.139 0.000 0.810 94 A HN 0.526 nan 8.150 nan 0.000 0.445 95 K N -0.110 120.192 120.400 -0.164 0.000 2.057 95 K HA -0.074 4.246 4.320 0.000 0.000 0.207 95 K C 1.813 178.338 176.600 -0.125 0.000 1.049 95 K CA 1.389 57.627 56.287 -0.082 0.000 0.931 95 K CB -0.300 32.235 32.500 0.058 0.000 0.714 95 K HN 0.484 nan 8.250 nan 0.000 0.440 96 L N 0.384 121.487 121.223 -0.201 0.000 2.027 96 L HA -0.111 4.229 4.340 0.000 0.000 0.206 96 L C 2.639 179.371 176.870 -0.230 0.000 1.074 96 L CA 1.156 55.865 54.840 -0.219 0.000 0.745 96 L CB -0.635 41.243 42.059 -0.302 0.000 0.898 96 L HN 0.284 nan 8.230 nan 0.000 0.433 97 A N -0.101 122.534 122.820 -0.308 0.000 2.024 97 A HA -0.211 4.109 4.320 0.000 0.000 0.220 97 A C 2.365 179.759 177.584 -0.317 0.000 1.164 97 A CA 1.297 53.083 52.037 -0.418 0.000 0.643 97 A CB -0.506 17.984 19.000 -0.850 0.000 0.806 97 A HN 0.316 nan 8.150 nan 0.000 0.451 98 R N -0.634 119.731 120.500 -0.224 0.000 2.080 98 R HA -0.176 4.164 4.340 0.000 0.000 0.236 98 R C 2.521 178.753 176.300 -0.113 0.000 1.137 98 R CA 1.416 57.433 56.100 -0.138 0.000 0.943 98 R CB -0.534 29.711 30.300 -0.091 0.000 0.846 98 R HN 0.522 nan 8.270 nan 0.000 0.431 99 A N 1.606 124.360 122.820 -0.111 0.000 1.948 99 A HA -0.177 4.143 4.320 0.000 0.000 0.220 99 A C 1.299 178.824 177.584 -0.098 0.000 1.177 99 A CA 1.752 53.735 52.037 -0.090 0.000 0.636 99 A CB -0.338 18.609 19.000 -0.089 0.000 0.815 99 A HN 0.347 nan 8.150 nan 0.000 0.449 100 N N -1.111 117.510 118.700 -0.132 0.000 2.276 100 N HA 0.288 5.028 4.740 0.000 0.000 0.212 100 N C 0.906 176.350 175.510 -0.111 0.000 1.127 100 N CA 0.940 53.913 53.050 -0.127 0.000 0.834 100 N CB 0.669 39.056 38.487 -0.166 0.000 1.014 100 N HN 0.674 nan 8.380 nan 0.000 0.491 101 G N -0.688 108.050 108.800 -0.102 0.000 2.184 101 G HA2 -0.040 3.920 3.960 0.000 0.000 0.206 101 G HA3 -0.040 3.920 3.960 0.000 0.000 0.206 101 G C 0.581 175.428 174.900 -0.088 0.000 0.995 101 G CA 0.152 45.206 45.100 -0.076 0.000 0.651 101 G HN 0.730 nan 8.290 nan 0.000 0.511 102 G N -0.683 108.019 108.800 -0.164 0.000 2.562 102 G HA2 0.097 4.057 3.960 0.000 0.000 0.250 102 G HA3 0.097 4.057 3.960 0.000 0.000 0.250 102 G C -0.075 174.644 174.900 -0.302 0.000 1.269 102 G CA 0.044 45.019 45.100 -0.209 0.000 0.919 102 G HN 1.232 nan 8.290 nan 0.000 0.574 103 F N 1.028 120.983 119.950 0.008 0.000 2.399 103 F HA 0.610 5.137 4.527 0.000 0.000 0.334 103 F C 1.004 176.810 175.800 0.010 0.000 1.097 103 F CA -0.062 57.950 58.000 0.020 0.000 1.076 103 F CB 2.231 41.272 39.000 0.067 0.000 1.162 103 F HN 0.388 nan 8.300 nan 0.000 0.495 104 T N 1.318 115.967 114.554 0.157 0.000 2.772 104 T HA 0.516 4.866 4.350 0.000 0.000 0.288 104 T C -0.080 174.666 174.700 0.077 0.000 0.994 104 T CA -0.801 61.350 62.100 0.084 0.000 0.951 104 T CB 0.977 69.864 68.868 0.032 0.000 0.933 104 T HN 0.707 nan 8.240 nan 0.000 0.447 105 T N -0.213 114.375 114.554 0.058 0.000 2.926 105 T HA 0.905 5.255 4.350 0.000 0.000 0.289 105 T C -0.278 174.426 174.700 0.008 0.000 1.054 105 T CA -0.858 61.259 62.100 0.028 0.000 1.015 105 T CB 1.860 70.738 68.868 0.018 0.000 1.167 105 T HN 0.690 nan 8.240 nan 0.000 0.526 106 S N -0.384 115.312 115.700 -0.007 0.000 2.611 106 S HA 0.848 5.318 4.470 0.000 0.000 0.268 106 S C -1.037 173.549 174.600 -0.024 0.000 1.156 106 S CA -0.406 57.786 58.200 -0.013 0.000 0.817 106 S CB 1.239 64.433 63.200 -0.011 0.000 1.122 106 S HN 1.953 nan 8.310 nan 0.000 0.466 107 S N 0.021 115.707 115.700 -0.024 0.000 2.611 107 S HA 0.817 5.287 4.470 0.000 0.000 0.268 107 S C -0.620 173.963 174.600 -0.029 0.000 1.156 107 S CA -0.374 57.806 58.200 -0.033 0.000 0.817 107 S CB 0.827 64.004 63.200 -0.038 0.000 1.122 107 S HN 1.894 nan 8.310 nan 0.000 0.466 108 S N 0.802 116.481 115.700 -0.034 0.000 2.722 108 S HA 0.863 5.333 4.470 0.000 0.000 0.292 108 S C 0.510 175.091 174.600 -0.032 0.000 1.135 108 S CA -0.493 57.689 58.200 -0.030 0.000 1.003 108 S CB 0.813 63.995 63.200 -0.030 0.000 1.067 108 S HN 1.781 nan 8.310 nan 0.000 0.546 109 A N 1.935 124.738 122.820 -0.029 0.000 2.520 109 A HA 0.365 4.685 4.320 0.000 0.000 0.235 109 A C -1.897 175.665 177.584 -0.037 0.000 1.065 109 A CA -1.162 50.858 52.037 -0.029 0.000 0.764 109 A CB -0.769 18.215 19.000 -0.026 0.000 1.002 109 A HN 0.735 nan 8.150 nan 0.000 0.502 110 P HA 0.115 nan 4.420 nan 0.000 0.238 110 P C -0.829 176.442 177.300 -0.048 0.000 1.729 110 P CA 0.476 63.552 63.100 -0.041 0.000 1.055 110 P CB -0.469 31.211 31.700 -0.033 0.000 1.980 111 L N 2.632 123.817 121.223 -0.064 0.000 2.305 111 L HA 0.434 4.774 4.340 0.000 0.000 0.281 111 L C 0.838 177.634 176.870 -0.124 0.000 1.085 111 L CA -0.281 54.505 54.840 -0.090 0.000 0.813 111 L CB 0.707 42.703 42.059 -0.104 0.000 1.157 111 L HN 0.095 nan 8.230 nan 0.000 0.436 112 M N 2.291 121.818 119.600 -0.121 0.000 2.530 112 M HA 0.438 4.918 4.480 0.000 0.000 0.307 112 M C -0.461 175.766 176.300 -0.121 0.000 1.161 112 M CA -0.592 54.645 55.300 -0.104 0.000 0.903 112 M CB 2.095 34.674 32.600 -0.034 0.000 1.711 112 M HN 0.458 nan 8.290 nan 0.000 0.451 113 H N 0.572 119.652 119.070 0.017 0.000 2.482 113 H HA 0.702 5.258 4.556 0.000 0.000 0.344 113 H C -0.593 174.696 175.328 -0.065 0.000 1.151 113 H CA -0.477 55.573 56.048 0.003 0.000 1.300 113 H CB 1.495 31.259 29.762 0.004 0.000 1.494 113 H HN 0.721 nan 8.280 nan 0.000 0.542 114 A N 3.043 125.888 122.820 0.041 0.000 2.357 114 A HA 0.290 4.610 4.320 0.000 0.000 0.295 114 A C -0.458 177.056 177.584 -0.117 0.000 1.121 114 A CA -0.758 51.262 52.037 -0.028 0.000 0.742 114 A CB 1.163 20.162 19.000 -0.002 0.000 1.181 114 A HN 0.708 nan 8.150 nan 0.000 0.454 115 Q N 0.917 120.618 119.800 -0.164 0.000 2.241 115 Q HA 0.580 4.920 4.340 0.000 0.000 0.254 115 Q C -0.984 174.985 176.000 -0.053 0.000 0.917 115 Q CA -0.672 55.019 55.803 -0.187 0.000 0.919 115 Q CB 2.497 31.111 28.738 -0.206 0.000 1.237 115 Q HN 0.486 nan 8.270 nan 0.000 0.434 116 V N 2.787 122.704 119.914 0.005 0.000 2.357 116 V HA 0.164 4.284 4.120 0.000 0.000 0.281 116 V C -0.345 175.781 176.094 0.054 0.000 1.015 116 V CA -0.741 61.575 62.300 0.026 0.000 0.827 116 V CB 1.250 33.093 31.823 0.034 0.000 1.018 116 V HN 0.716 nan 8.190 nan 0.000 0.432 117 Q N 4.723 124.547 119.800 0.040 0.000 2.314 117 Q HA 0.575 4.915 4.340 0.000 0.000 0.258 117 Q C -1.157 174.872 176.000 0.048 0.000 0.954 117 Q CA -0.114 55.722 55.803 0.055 0.000 0.890 117 Q CB 1.067 29.822 28.738 0.028 0.000 1.210 117 Q HN 0.749 nan 8.270 nan 0.000 0.410 118 I N 5.253 125.861 120.570 0.063 0.000 2.478 118 I HA 0.320 4.490 4.170 0.000 0.000 0.287 118 I C -0.132 176.015 176.117 0.050 0.000 1.042 118 I CA -0.944 60.385 61.300 0.049 0.000 1.067 118 I CB 1.584 39.614 38.000 0.049 0.000 1.233 118 I HN 0.479 nan 8.210 nan 0.000 0.431 119 V N 1.752 121.687 119.914 0.036 0.000 3.234 119 V HA 0.941 5.061 4.120 0.000 0.000 0.317 119 V C 0.886 176.995 176.094 0.026 0.000 1.147 119 V CA -0.018 62.301 62.300 0.033 0.000 1.037 119 V CB 1.253 33.090 31.823 0.024 0.000 1.148 119 V HN 1.036 nan 8.190 nan 0.000 0.455 120 G N 0.500 109.314 108.800 0.023 0.000 2.160 120 G HA2 -0.193 3.767 3.960 0.000 0.000 0.251 120 G HA3 -0.193 3.767 3.960 0.000 0.000 0.251 120 G C -0.241 174.670 174.900 0.018 0.000 1.008 120 G CA 0.494 45.605 45.100 0.018 0.000 0.724 120 G HN 0.975 nan 8.290 nan 0.000 0.514 121 I N 0.076 120.660 120.570 0.023 0.000 2.354 121 I HA 0.246 4.416 4.170 0.000 0.000 0.292 121 I C 1.292 177.420 176.117 0.019 0.000 0.989 121 I CA -0.884 60.429 61.300 0.020 0.000 1.188 121 I CB 1.585 39.599 38.000 0.023 0.000 1.342 121 I HN -0.051 nan 8.210 nan 0.000 0.457 122 Q N 3.342 123.150 119.800 0.014 0.000 2.311 122 Q HA -0.060 4.280 4.340 0.000 0.000 0.203 122 Q C -0.157 175.849 176.000 0.012 0.000 0.954 122 Q CA 0.986 56.797 55.803 0.012 0.000 0.885 122 Q CB 0.195 28.939 28.738 0.009 0.000 0.963 122 Q HN 0.717 nan 8.270 nan 0.000 0.471 123 D N -1.647 118.759 120.400 0.011 0.000 2.607 123 D HA 0.180 4.820 4.640 0.000 0.000 0.318 123 D C -2.406 173.899 176.300 0.008 0.000 1.212 123 D CA -1.712 52.292 54.000 0.008 0.000 0.861 123 D CB 0.996 41.799 40.800 0.005 0.000 1.064 123 D HN -0.118 nan 8.370 nan 0.000 0.500 124 P HA -0.110 nan 4.420 nan 0.000 0.215 124 P C 1.756 179.057 177.300 0.001 0.000 1.153 124 P CA 0.797 63.906 63.100 0.014 0.000 0.853 124 P CB 0.423 32.137 31.700 0.023 0.000 0.788 125 L N -1.132 120.089 121.223 -0.004 0.000 2.056 125 L HA -0.165 4.175 4.340 0.000 0.000 0.207 125 L C 2.418 179.280 176.870 -0.014 0.000 1.078 125 L CA 1.649 56.481 54.840 -0.014 0.000 0.749 125 L CB -1.041 41.009 42.059 -0.015 0.000 0.901 125 L HN 0.012 nan 8.230 nan 0.000 0.433 126 N N 0.441 119.136 118.700 -0.008 0.000 2.106 126 N HA -0.158 4.582 4.740 0.000 0.000 0.188 126 N C 1.845 177.351 175.510 -0.007 0.000 1.029 126 N CA 1.522 54.568 53.050 -0.007 0.000 0.848 126 N CB -0.115 38.369 38.487 -0.004 0.000 1.007 126 N HN 0.237 nan 8.380 nan 0.000 0.423 127 A N 0.898 123.716 122.820 -0.003 0.000 1.948 127 A HA -0.226 4.094 4.320 0.000 0.000 0.220 127 A C 2.240 179.821 177.584 -0.004 0.000 1.177 127 A CA 1.791 53.828 52.037 0.000 0.000 0.636 127 A CB -0.851 18.153 19.000 0.007 0.000 0.815 127 A HN 0.497 nan 8.150 nan 0.000 0.449 128 R N -0.259 120.234 120.500 -0.011 0.000 2.081 128 R HA -0.069 4.271 4.340 0.000 0.000 0.235 128 R C 1.819 178.104 176.300 -0.025 0.000 1.131 128 R CA 1.649 57.736 56.100 -0.022 0.000 0.960 128 R CB -0.371 29.907 30.300 -0.037 0.000 0.856 128 R HN 0.513 nan 8.270 nan 0.000 0.436 129 L N 0.235 121.445 121.223 -0.022 0.000 2.217 129 L HA -0.059 4.281 4.340 0.000 0.000 0.211 129 L C 2.327 179.188 176.870 -0.015 0.000 1.107 129 L CA 0.843 55.670 54.840 -0.021 0.000 0.783 129 L CB -0.295 41.753 42.059 -0.019 0.000 0.919 129 L HN 0.265 nan 8.230 nan 0.000 0.442 130 S N 0.150 115.843 115.700 -0.010 0.000 2.402 130 S HA -0.068 4.402 4.470 0.000 0.000 0.229 130 S C 1.986 176.583 174.600 -0.006 0.000 1.021 130 S CA 0.967 59.163 58.200 -0.006 0.000 0.974 130 S CB -0.034 63.164 63.200 -0.003 0.000 0.800 130 S HN 0.286 nan 8.310 nan 0.000 0.484 131 L N 0.790 122.009 121.223 -0.007 0.000 2.072 131 L HA -0.009 4.331 4.340 0.000 0.000 0.205 131 L C 2.062 178.926 176.870 -0.009 0.000 1.079 131 L CA 0.931 55.768 54.840 -0.005 0.000 0.752 131 L CB -0.437 41.621 42.059 -0.002 0.000 0.906 131 L HN 0.282 nan 8.230 nan 0.000 0.436 132 L N -0.135 121.078 121.223 -0.017 0.000 2.191 132 L HA -0.175 4.165 4.340 0.000 0.000 0.212 132 L C 2.782 179.643 176.870 -0.015 0.000 1.103 132 L CA 1.127 55.955 54.840 -0.021 0.000 0.769 132 L CB -0.516 41.524 42.059 -0.032 0.000 0.908 132 L HN 0.371 nan 8.230 nan 0.000 0.438 133 R N 0.556 121.049 120.500 -0.012 0.000 2.119 133 R HA -0.055 4.285 4.340 0.000 0.000 0.222 133 R C 1.576 177.873 176.300 -0.006 0.000 1.088 133 R CA 0.786 56.880 56.100 -0.009 0.000 0.984 133 R CB -0.207 30.088 30.300 -0.008 0.000 0.884 133 R HN 0.199 nan 8.270 nan 0.000 0.447 134 R N 0.920 121.417 120.500 -0.005 0.000 2.568 134 R HA 0.147 4.487 4.340 0.000 0.000 0.288 134 R C 1.146 177.445 176.300 -0.001 0.000 1.077 134 R CA -0.147 55.951 56.100 -0.002 0.000 1.102 134 R CB 0.347 30.647 30.300 -0.001 0.000 1.278 134 R HN 0.242 nan 8.270 nan 0.000 0.560 135 K N 1.196 121.594 120.400 -0.003 0.000 2.026 135 K HA -0.171 4.149 4.320 0.000 0.000 0.208 135 K C 0.796 177.397 176.600 0.001 0.000 1.048 135 K CA 1.702 57.987 56.287 -0.002 0.000 0.929 135 K CB 0.201 32.698 32.500 -0.006 0.000 0.713 135 K HN 0.087 nan 8.250 nan 0.000 0.439 136 D N 0.569 120.969 120.400 -0.001 0.000 2.218 136 D HA -0.155 4.485 4.640 0.000 0.000 0.204 136 D C 1.698 177.998 176.300 0.001 0.000 0.976 136 D CA 0.898 54.898 54.000 0.000 0.000 0.853 136 D CB 0.049 40.848 40.800 -0.001 0.000 0.939 136 D HN 0.428 nan 8.370 nan 0.000 0.481 137 E N 0.384 120.585 120.200 0.001 0.000 2.031 137 E HA -0.130 4.220 4.350 0.000 0.000 0.193 137 E C 2.313 178.915 176.600 0.003 0.000 0.994 137 E CA 0.608 57.009 56.400 0.002 0.000 0.800 137 E CB 0.012 29.713 29.700 0.002 0.000 0.752 137 E HN 0.205 nan 8.360 nan 0.000 0.447 138 I N 0.927 121.500 120.570 0.005 0.000 2.208 138 I HA -0.306 3.864 4.170 0.000 0.000 0.245 138 I C 2.359 178.481 176.117 0.008 0.000 1.097 138 I CA 1.005 62.309 61.300 0.008 0.000 1.363 138 I CB -0.281 37.726 38.000 0.011 0.000 1.051 138 I HN 0.215 nan 8.210 nan 0.000 0.413 139 I N 0.576 121.150 120.570 0.007 0.000 2.163 139 I HA -0.295 3.875 4.170 0.000 0.000 0.243 139 I C 2.450 178.569 176.117 0.004 0.000 1.085 139 I CA 1.636 62.940 61.300 0.007 0.000 1.347 139 I CB -0.490 37.514 38.000 0.006 0.000 1.044 139 I HN 0.287 nan 8.210 nan 0.000 0.408 140 E N 0.423 120.625 120.200 0.003 0.000 2.150 140 E HA -0.236 4.114 4.350 0.000 0.000 0.193 140 E C 2.081 178.683 176.600 0.002 0.000 0.985 140 E CA 0.947 57.348 56.400 0.002 0.000 0.814 140 E CB -0.105 29.596 29.700 0.001 0.000 0.752 140 E HN 0.286 nan 8.360 nan 0.000 0.466 141 L N 0.674 121.899 121.223 0.003 0.000 2.217 141 L HA -0.029 4.311 4.340 0.000 0.000 0.211 141 L C 2.059 178.931 176.870 0.003 0.000 1.107 141 L CA 1.544 56.386 54.840 0.003 0.000 0.783 141 L CB -0.417 41.645 42.059 0.004 0.000 0.919 141 L HN -0.008 nan 8.230 nan 0.000 0.442 142 A N -0.475 122.348 122.820 0.004 0.000 1.872 142 A HA -0.142 4.178 4.320 0.000 0.000 0.214 142 A C 2.018 179.603 177.584 0.002 0.000 1.187 142 A CA 1.523 53.562 52.037 0.004 0.000 0.614 142 A CB -0.619 18.385 19.000 0.007 0.000 0.826 142 A HN 0.557 nan 8.150 nan 0.000 0.442 143 N N -0.537 118.164 118.700 0.002 0.000 2.396 143 N HA -0.118 4.622 4.740 0.000 0.000 0.180 143 N C 1.730 177.239 175.510 -0.000 0.000 1.028 143 N CA 1.117 54.167 53.050 -0.000 0.000 0.893 143 N CB -0.339 38.148 38.487 -0.000 0.000 0.967 143 N HN 0.417 nan 8.380 nan 0.000 0.440 144 R N 1.971 122.471 120.500 0.000 0.000 2.120 144 R HA -0.077 4.263 4.340 0.000 0.000 0.234 144 R C 1.989 178.288 176.300 -0.000 0.000 1.123 144 R CA 1.367 57.467 56.100 -0.000 0.000 0.975 144 R CB -0.159 30.141 30.300 0.000 0.000 0.866 144 R HN 0.186 nan 8.270 nan 0.000 0.446 145 K N -0.086 120.314 120.400 -0.000 0.000 1.975 145 K HA -0.077 4.243 4.320 0.000 0.000 0.210 145 K C 0.198 176.797 176.600 -0.001 0.000 1.041 145 K CA 1.657 57.944 56.287 -0.001 0.000 0.942 145 K CB -0.211 32.289 32.500 -0.000 0.000 0.729 145 K HN -0.005 nan 8.250 nan 0.000 0.439 146 D N 1.199 121.598 120.400 -0.002 0.000 2.558 146 D HA 0.017 4.657 4.640 0.000 0.000 0.221 146 D C 0.450 176.749 176.300 -0.003 0.000 1.143 146 D CA 0.073 54.072 54.000 -0.003 0.000 1.010 146 D CB 0.611 41.409 40.800 -0.003 0.000 1.068 146 D HN 0.274 nan 8.370 nan 0.000 0.511 147 Q N 1.155 120.953 119.800 -0.002 0.000 2.046 147 Q HA -0.154 4.186 4.340 0.000 0.000 0.200 147 Q C 1.889 177.888 176.000 -0.003 0.000 0.975 147 Q CA 0.702 56.504 55.803 -0.002 0.000 0.836 147 Q CB 0.014 28.751 28.738 -0.002 0.000 0.896 147 Q HN 0.431 nan 8.270 nan 0.000 0.428 148 L N 1.176 122.398 121.223 -0.003 0.000 1.997 148 L HA -0.233 4.107 4.340 0.000 0.000 0.216 148 L C 2.304 179.172 176.870 -0.004 0.000 1.074 148 L CA 1.615 56.454 54.840 -0.003 0.000 0.763 148 L CB -1.081 40.977 42.059 -0.003 0.000 0.890 148 L HN 0.221 nan 8.230 nan 0.000 0.434 149 L N 0.089 121.309 121.223 -0.004 0.000 2.021 149 L HA -0.314 4.026 4.340 0.000 0.000 0.215 149 L C 2.211 179.078 176.870 -0.005 0.000 1.074 149 L CA 2.258 57.095 54.840 -0.005 0.000 0.760 149 L CB -1.056 41.000 42.059 -0.006 0.000 0.889 149 L HN 0.442 nan 8.230 nan 0.000 0.433 150 N N -1.182 117.516 118.700 -0.005 0.000 2.149 150 N HA -0.152 4.588 4.740 0.000 0.000 0.188 150 N C 1.854 177.361 175.510 -0.004 0.000 1.019 150 N CA 1.458 54.506 53.050 -0.004 0.000 0.857 150 N CB -0.187 38.298 38.487 -0.003 0.000 0.997 150 N HN 0.358 nan 8.380 nan 0.000 0.426 151 S N -0.166 115.532 115.700 -0.004 0.000 2.406 151 S HA 0.047 4.517 4.470 0.000 0.000 0.228 151 S C 1.444 176.042 174.600 -0.004 0.000 1.020 151 S CA 0.459 58.657 58.200 -0.003 0.000 0.965 151 S CB -0.012 63.187 63.200 -0.003 0.000 0.798 151 S HN 0.217 nan 8.310 nan 0.000 0.488 152 L N 0.592 121.812 121.223 -0.004 0.000 2.465 152 L HA 0.139 4.479 4.340 0.000 0.000 0.224 152 L C 1.686 178.553 176.870 -0.006 0.000 1.145 152 L CA 1.292 56.129 54.840 -0.005 0.000 0.834 152 L CB -1.759 40.297 42.059 -0.006 0.000 0.944 152 L HN 0.524 nan 8.230 nan 0.000 0.451 153 G N -1.005 107.792 108.800 -0.006 0.000 2.173 153 G HA2 -0.101 3.859 3.960 0.000 0.000 0.174 153 G HA3 -0.101 3.859 3.960 0.000 0.000 0.174 153 G C 0.495 175.390 174.900 -0.009 0.000 1.025 153 G CA 0.043 45.139 45.100 -0.007 0.000 0.706 153 G HN 0.596 nan 8.290 nan 0.000 0.499 154 G N -1.258 107.536 108.800 -0.009 0.000 3.234 154 G HA2 1.062 5.022 3.960 0.000 0.000 0.159 154 G HA3 1.062 5.022 3.960 0.000 0.000 0.159 154 G C 0.723 175.617 174.900 -0.009 0.000 1.175 154 G CA 0.650 45.744 45.100 -0.011 0.000 0.900 154 G HN 2.125 nan 8.290 nan 0.000 0.621 155 G N -2.509 106.285 108.800 -0.010 0.000 2.603 155 G HA2 0.146 4.106 3.960 0.000 0.000 0.686 155 G HA3 0.146 4.106 3.960 0.000 0.000 0.686 155 G C 0.001 174.896 174.900 -0.008 0.000 1.286 155 G CA -0.247 44.848 45.100 -0.007 0.000 0.871 155 G HN 1.491 nan 8.290 nan 0.000 0.568 156 C N 0.723 120.021 119.300 -0.004 0.000 2.653 156 C HA 0.614 5.074 4.460 0.000 0.000 0.421 156 C C 1.990 176.979 174.990 -0.001 0.000 1.334 156 C CA 0.424 59.442 59.018 -0.000 0.000 1.885 156 C CB -0.188 27.555 27.740 0.005 0.000 2.645 156 C HN 0.726 nan 8.230 nan 0.000 0.601 157 R N 1.490 121.990 120.500 -0.001 0.000 2.412 157 R HA 0.272 4.612 4.340 0.000 0.000 0.212 157 R C -0.479 175.823 176.300 0.003 0.000 0.878 157 R CA -0.022 56.077 56.100 -0.002 0.000 1.022 157 R CB 0.330 30.625 30.300 -0.008 0.000 1.265 157 R HN 0.773 nan 8.270 nan 0.000 0.620 158 D N -0.785 119.621 120.400 0.010 0.000 2.671 158 D HA 0.415 5.055 4.640 0.000 0.000 0.273 158 D C -1.822 174.496 176.300 0.031 0.000 1.264 158 D CA -0.579 53.430 54.000 0.014 0.000 0.788 158 D CB 1.713 42.520 40.800 0.012 0.000 1.324 158 D HN -0.207 nan 8.370 nan 0.000 0.424 159 I N 1.031 121.617 120.570 0.027 0.000 2.619 159 I HA 0.340 4.510 4.170 0.000 0.000 0.292 159 I C -1.118 175.006 176.117 0.010 0.000 1.100 159 I CA -0.414 60.911 61.300 0.041 0.000 1.043 159 I CB 1.976 39.994 38.000 0.030 0.000 1.239 159 I HN 0.361 nan 8.210 nan 0.000 0.420 160 E N 6.045 126.253 120.200 0.013 0.000 2.272 160 E HA 0.727 5.077 4.350 0.000 0.000 0.269 160 E C -1.740 174.722 176.600 -0.230 0.000 0.877 160 E CA -0.870 55.447 56.400 -0.139 0.000 0.755 160 E CB 2.385 31.977 29.700 -0.180 0.000 1.192 160 E HN 0.193 nan 8.360 nan 0.000 0.422 161 V N 2.760 122.487 119.914 -0.312 0.000 2.459 161 V HA 0.350 4.470 4.120 0.000 0.000 0.295 161 V C -0.914 174.915 176.094 -0.441 0.000 1.029 161 V CA -0.687 61.466 62.300 -0.245 0.000 0.874 161 V CB 1.105 32.865 31.823 -0.104 0.000 0.985 161 V HN 0.694 nan 8.190 nan 0.000 0.438 162 H N 1.203 120.225 119.070 -0.079 0.000 2.538 162 H HA 0.685 5.241 4.556 0.000 0.000 0.353 162 H C 0.054 175.233 175.328 -0.247 0.000 1.109 162 H CA -0.529 55.395 56.048 -0.207 0.000 1.192 162 H CB 1.896 31.502 29.762 -0.261 0.000 1.555 162 H HN 0.756 nan 8.280 nan 0.000 0.518 163 T N -0.099 114.302 114.554 -0.255 0.000 2.885 163 T HA 0.614 4.964 4.350 0.000 0.000 0.285 163 T C -0.801 173.600 174.700 -0.499 0.000 1.019 163 T CA -0.878 61.086 62.100 -0.227 0.000 1.010 163 T CB 0.951 69.764 68.868 -0.091 0.000 1.022 163 T HN 0.309 nan 8.240 nan 0.000 0.466 164 F N 1.186 121.159 119.950 0.039 0.000 2.500 164 F HA 0.632 5.159 4.527 0.000 0.000 0.349 164 F C 0.861 176.672 175.800 0.018 0.000 1.127 164 F CA -1.190 56.825 58.000 0.025 0.000 0.998 164 F CB 1.601 40.614 39.000 0.021 0.000 1.237 164 F HN 0.862 nan 8.300 nan 0.000 0.439 165 A N 1.078 123.972 122.820 0.124 0.000 2.308 165 A HA 0.094 4.414 4.320 0.000 0.000 0.217 165 A C 0.540 178.173 177.584 0.081 0.000 1.216 165 A CA 0.263 52.350 52.037 0.083 0.000 0.864 165 A CB -0.004 19.020 19.000 0.039 0.000 0.902 165 A HN 0.615 nan 8.150 nan 0.000 0.499 166 D N 0.825 121.289 120.400 0.106 0.000 2.517 166 D HA 0.256 4.896 4.640 0.000 0.000 0.301 166 D C -0.975 175.369 176.300 0.073 0.000 1.202 166 D CA 0.296 54.341 54.000 0.076 0.000 0.910 166 D CB 0.509 41.348 40.800 0.065 0.000 1.021 166 D HN 0.071 nan 8.370 nan 0.000 0.499 167 T N 1.055 115.643 114.554 0.058 0.000 2.885 167 T HA 0.321 4.671 4.350 0.000 0.000 0.285 167 T C -1.562 173.145 174.700 0.012 0.000 1.019 167 T CA -1.362 60.754 62.100 0.026 0.000 1.010 167 T CB 2.290 71.170 68.868 0.021 0.000 1.022 167 T HN 0.009 nan 8.240 nan 0.000 0.466 168 P HA -0.032 nan 4.420 nan 0.000 0.218 168 P C 0.707 178.007 177.300 -0.001 0.000 1.146 168 P CA 0.971 64.069 63.100 -0.004 0.000 0.813 168 P CB 0.250 31.942 31.700 -0.013 0.000 0.778 169 R N -0.625 119.874 120.500 -0.002 0.000 2.791 169 R HA 0.448 4.788 4.340 0.000 0.000 0.357 169 R C 0.671 176.977 176.300 0.011 0.000 1.173 169 R CA 0.266 56.366 56.100 0.001 0.000 1.060 169 R CB 0.170 30.467 30.300 -0.005 0.000 1.406 169 R HN 0.142 nan 8.270 nan 0.000 0.580 170 G N 2.529 111.339 108.800 0.017 0.000 2.757 170 G HA2 -0.204 3.756 3.960 0.000 0.000 0.638 170 G HA3 -0.204 3.756 3.960 0.000 0.000 0.638 170 G C -2.842 172.084 174.900 0.042 0.000 1.344 170 G CA -1.113 44.002 45.100 0.026 0.000 0.855 170 G HN 0.080 nan 8.290 nan 0.000 0.537 171 P HA 0.506 nan 4.420 nan 0.000 0.274 171 P C -0.057 177.295 177.300 0.085 0.000 1.231 171 P CA 0.055 63.200 63.100 0.075 0.000 0.790 171 P CB 0.934 32.669 31.700 0.058 0.000 0.951 172 M N 1.104 120.785 119.600 0.135 0.000 2.520 172 M HA 0.588 5.068 4.480 0.000 0.000 0.283 172 M C -1.576 174.840 176.300 0.193 0.000 1.237 172 M CA -1.231 54.154 55.300 0.142 0.000 0.885 172 M CB 2.494 35.166 32.600 0.121 0.000 1.727 172 M HN 0.101 nan 8.290 nan 0.000 0.468 173 L N 2.208 123.521 121.223 0.150 0.000 2.329 173 L HA 0.823 5.163 4.340 0.000 0.000 0.279 173 L C -1.580 175.399 176.870 0.181 0.000 1.014 173 L CA -0.810 54.114 54.840 0.140 0.000 0.814 173 L CB 1.937 44.042 42.059 0.077 0.000 1.257 173 L HN 0.695 nan 8.230 nan 0.000 0.424 174 V N 5.109 125.164 119.914 0.236 0.000 2.357 174 V HA 0.548 4.668 4.120 0.000 0.000 0.281 174 V C 0.260 176.536 176.094 0.303 0.000 1.015 174 V CA -0.538 61.934 62.300 0.287 0.000 0.827 174 V CB 1.205 33.294 31.823 0.443 0.000 1.018 174 V HN 0.863 nan 8.190 nan 0.000 0.432 175 A N 3.534 126.482 122.820 0.212 0.000 2.354 175 A HA 0.707 5.027 4.320 0.000 0.000 0.269 175 A C -0.539 177.222 177.584 0.296 0.000 1.109 175 A CA -0.125 52.030 52.037 0.195 0.000 0.800 175 A CB 0.122 19.183 19.000 0.102 0.000 1.045 175 A HN 0.865 nan 8.150 nan 0.000 0.489 176 H N 1.177 120.309 119.070 0.102 0.000 2.511 176 H HA 0.472 5.028 4.556 0.000 0.000 0.328 176 H C -0.603 174.794 175.328 0.115 0.000 1.044 176 H CA -0.381 55.758 56.048 0.151 0.000 1.212 176 H CB 1.140 31.051 29.762 0.248 0.000 1.428 176 H HN 0.520 nan 8.280 nan 0.000 0.483 177 L N 5.112 126.428 121.223 0.154 0.000 2.265 177 L HA 0.328 4.668 4.340 0.000 0.000 0.288 177 L C 0.105 177.035 176.870 0.100 0.000 1.058 177 L CA -0.267 54.632 54.840 0.099 0.000 0.809 177 L CB 0.837 42.925 42.059 0.048 0.000 1.179 177 L HN 0.570 nan 8.230 nan 0.000 0.429 178 I N 4.611 125.226 120.570 0.074 0.000 2.257 178 I HA 0.152 4.322 4.170 0.000 0.000 0.290 178 I C -0.076 176.030 176.117 -0.018 0.000 1.137 178 I CA -0.348 60.956 61.300 0.007 0.000 1.255 178 I CB 0.863 38.868 38.000 0.008 0.000 1.485 178 I HN 0.300 nan 8.210 nan 0.000 0.534 179 V N 4.263 124.163 119.914 -0.024 0.000 2.607 179 V HA 0.096 4.216 4.120 0.000 0.000 0.289 179 V C 0.480 176.553 176.094 -0.035 0.000 1.053 179 V CA -0.433 61.855 62.300 -0.021 0.000 0.996 179 V CB 1.686 33.502 31.823 -0.012 0.000 0.995 179 V HN 0.538 nan 8.190 nan 0.000 0.476 180 D N 4.011 124.395 120.400 -0.026 0.000 2.479 180 D HA 0.245 4.885 4.640 0.000 0.000 0.218 180 D C 0.207 176.493 176.300 -0.023 0.000 1.131 180 D CA -0.217 53.766 54.000 -0.028 0.000 0.916 180 D CB 1.185 41.971 40.800 -0.023 0.000 1.022 180 D HN 0.435 nan 8.370 nan 0.000 0.515 181 V N 2.532 122.431 119.914 -0.026 0.000 3.816 181 V HA 0.500 4.620 4.120 0.000 0.000 0.281 181 V C 0.170 176.252 176.094 -0.019 0.000 1.027 181 V CA -0.443 61.845 62.300 -0.021 0.000 1.032 181 V CB 0.561 32.371 31.823 -0.021 0.000 1.226 181 V HN 0.461 nan 8.190 nan 0.000 0.448 182 R N -0.200 120.290 120.500 -0.017 0.000 2.549 182 R HA 0.346 4.686 4.340 0.000 0.000 0.291 182 R C -0.411 175.881 176.300 -0.014 0.000 1.164 182 R CA 0.143 56.233 56.100 -0.015 0.000 0.973 182 R CB 0.321 30.613 30.300 -0.013 0.000 1.210 182 R HN 0.940 nan 8.270 nan 0.000 0.422 183 D N 0.590 120.980 120.400 -0.016 0.000 3.041 183 D HA -0.251 4.389 4.640 0.000 0.000 0.214 183 D C -0.566 175.726 176.300 -0.013 0.000 1.153 183 D CA 2.026 56.018 54.000 -0.015 0.000 0.972 183 D CB -0.550 40.244 40.800 -0.011 0.000 1.126 183 D HN 0.535 nan 8.370 nan 0.000 0.400 184 A N -0.324 122.488 122.820 -0.014 0.000 2.337 184 A HA 0.633 4.953 4.320 0.000 0.000 0.331 184 A C 1.171 178.746 177.584 -0.015 0.000 1.137 184 A CA -0.179 51.851 52.037 -0.012 0.000 0.807 184 A CB 1.528 20.521 19.000 -0.011 0.000 1.250 184 A HN 0.049 nan 8.150 nan 0.000 0.468 185 M N 1.148 120.739 119.600 -0.014 0.000 2.213 185 M HA 0.014 4.494 4.480 0.000 0.000 0.263 185 M C 1.362 177.651 176.300 -0.017 0.000 1.062 185 M CA 2.454 57.743 55.300 -0.017 0.000 1.105 185 M CB -0.174 32.416 32.600 -0.017 0.000 1.385 185 M HN 1.616 nan 8.290 nan 0.000 0.417 186 G N -1.411 107.380 108.800 -0.015 0.000 2.176 186 G HA2 -0.262 3.698 3.960 0.000 0.000 0.232 186 G HA3 -0.262 3.698 3.960 0.000 0.000 0.232 186 G C 0.880 175.772 174.900 -0.013 0.000 0.986 186 G CA 0.790 45.881 45.100 -0.014 0.000 0.643 186 G HN 0.662 nan 8.290 nan 0.000 0.522 187 A N 0.649 123.460 122.820 -0.015 0.000 1.865 187 A HA -0.061 4.259 4.320 0.000 0.000 0.217 187 A C 2.014 179.589 177.584 -0.015 0.000 1.191 187 A CA 2.395 54.422 52.037 -0.017 0.000 0.623 187 A CB -0.621 18.366 19.000 -0.023 0.000 0.826 187 A HN 0.640 nan 8.150 nan 0.000 0.444 188 N N -1.396 117.296 118.700 -0.014 0.000 2.250 188 N HA -0.057 4.683 4.740 0.000 0.000 0.181 188 N C 1.680 177.184 175.510 -0.010 0.000 1.017 188 N CA 1.367 54.409 53.050 -0.012 0.000 0.866 188 N CB -0.178 38.302 38.487 -0.012 0.000 0.985 188 N HN 0.428 nan 8.380 nan 0.000 0.429 189 T N 0.314 114.862 114.554 -0.010 0.000 2.720 189 T HA -0.107 4.243 4.350 0.000 0.000 0.268 189 T C 2.032 176.728 174.700 -0.008 0.000 1.037 189 T CA 0.876 62.971 62.100 -0.008 0.000 1.144 189 T CB -0.282 68.581 68.868 -0.009 0.000 0.864 189 T HN -0.007 nan 8.240 nan 0.000 0.444 190 V N 2.015 121.924 119.914 -0.008 0.000 2.323 190 V HA -0.110 4.010 4.120 0.000 0.000 0.244 190 V C 2.380 178.470 176.094 -0.007 0.000 1.041 190 V CA 1.418 63.715 62.300 -0.006 0.000 1.025 190 V CB -0.544 31.276 31.823 -0.005 0.000 0.656 190 V HN 0.402 nan 8.190 nan 0.000 0.451 191 N N -0.127 118.567 118.700 -0.010 0.000 2.223 191 N HA -0.136 4.604 4.740 0.000 0.000 0.185 191 N C 1.849 177.354 175.510 -0.008 0.000 1.016 191 N CA 1.767 54.810 53.050 -0.011 0.000 0.863 191 N CB -0.465 38.013 38.487 -0.014 0.000 0.983 191 N HN 0.416 nan 8.380 nan 0.000 0.429 192 T N 1.056 115.606 114.554 -0.007 0.000 2.770 192 T HA 0.028 4.378 4.350 0.000 0.000 0.263 192 T C 1.990 176.688 174.700 -0.003 0.000 1.039 192 T CA 0.858 62.955 62.100 -0.005 0.000 1.142 192 T CB -0.053 68.812 68.868 -0.005 0.000 0.868 192 T HN 0.199 nan 8.240 nan 0.000 0.435 193 M N 0.966 120.565 119.600 -0.002 0.000 2.159 193 M HA -0.050 4.430 4.480 0.000 0.000 0.263 193 M C 2.790 179.092 176.300 0.003 0.000 1.063 193 M CA 1.481 56.781 55.300 0.001 0.000 1.110 193 M CB -0.536 32.065 32.600 0.002 0.000 1.374 193 M HN 0.274 nan 8.290 nan 0.000 0.411 194 A N 0.399 123.220 122.820 0.001 0.000 1.972 194 A HA -0.150 4.170 4.320 0.000 0.000 0.219 194 A C 2.026 179.611 177.584 0.002 0.000 1.169 194 A CA 1.463 53.501 52.037 0.002 0.000 0.635 194 A CB -0.476 18.521 19.000 -0.005 0.000 0.810 194 A HN 0.472 nan 8.150 nan 0.000 0.446 195 E N -0.137 120.063 120.200 -0.001 0.000 2.107 195 E HA -0.062 4.288 4.350 0.000 0.000 0.191 195 E C 2.304 178.905 176.600 0.001 0.000 0.982 195 E CA 1.090 57.489 56.400 -0.000 0.000 0.809 195 E CB -0.456 29.242 29.700 -0.003 0.000 0.756 195 E HN 0.592 nan 8.360 nan 0.000 0.459 196 A N 1.207 124.028 122.820 0.002 0.000 1.929 196 A HA -0.064 4.256 4.320 0.000 0.000 0.216 196 A C 2.503 180.090 177.584 0.004 0.000 1.176 196 A CA 0.874 52.913 52.037 0.002 0.000 0.628 196 A CB -0.419 18.582 19.000 0.002 0.000 0.816 196 A HN 0.104 nan 8.150 nan 0.000 0.444 197 V N -0.227 119.691 119.914 0.006 0.000 2.871 197 V HA -0.130 3.990 4.120 0.000 0.000 0.256 197 V C 2.929 179.030 176.094 0.010 0.000 1.082 197 V CA 1.248 63.554 62.300 0.009 0.000 1.105 197 V CB -0.881 30.949 31.823 0.012 0.000 0.713 197 V HN 0.605 nan 8.190 nan 0.000 0.473 198 A N 0.987 123.813 122.820 0.009 0.000 1.884 198 A HA -0.207 4.113 4.320 0.000 0.000 0.219 198 A C 0.537 178.126 177.584 0.009 0.000 1.197 198 A CA 2.423 54.466 52.037 0.010 0.000 0.637 198 A CB -2.034 16.970 19.000 0.008 0.000 0.827 198 A HN 0.527 nan 8.150 nan 0.000 0.450 199 P HA -0.164 nan 4.420 nan 0.000 0.216 199 P C 1.629 178.934 177.300 0.007 0.000 1.153 199 P CA 1.108 64.212 63.100 0.006 0.000 0.858 199 P CB -0.078 31.625 31.700 0.004 0.000 0.789 200 L N -1.503 119.725 121.223 0.007 0.000 2.027 200 L HA -0.071 4.269 4.340 0.000 0.000 0.206 200 L C 2.305 179.181 176.870 0.009 0.000 1.074 200 L CA 1.879 56.723 54.840 0.007 0.000 0.745 200 L CB -1.183 40.881 42.059 0.007 0.000 0.898 200 L HN -0.108 nan 8.230 nan 0.000 0.433 201 M N -1.017 118.590 119.600 0.012 0.000 2.159 201 M HA -0.238 4.242 4.480 0.000 0.000 0.263 201 M C 2.172 178.481 176.300 0.014 0.000 1.063 201 M CA 1.876 57.185 55.300 0.015 0.000 1.110 201 M CB -0.459 32.153 32.600 0.020 0.000 1.374 201 M HN 0.367 nan 8.290 nan 0.000 0.411 202 E N 0.313 120.521 120.200 0.013 0.000 2.208 202 E HA -0.121 4.229 4.350 0.000 0.000 0.193 202 E C 1.867 178.473 176.600 0.010 0.000 0.988 202 E CA 1.023 57.430 56.400 0.012 0.000 0.828 202 E CB 0.146 29.853 29.700 0.010 0.000 0.763 202 E HN 0.476 nan 8.360 nan 0.000 0.478 203 A N 0.501 123.326 122.820 0.008 0.000 1.935 203 A HA -0.014 4.306 4.320 0.000 0.000 0.214 203 A C 2.020 179.607 177.584 0.006 0.000 1.178 203 A CA 0.501 52.542 52.037 0.006 0.000 0.640 203 A CB -0.244 18.760 19.000 0.005 0.000 0.825 203 A HN 0.236 nan 8.150 nan 0.000 0.447 204 I N 0.206 120.780 120.570 0.007 0.000 2.193 204 I HA -0.194 3.976 4.170 0.000 0.000 0.240 204 I C 2.855 178.976 176.117 0.007 0.000 1.084 204 I CA 1.892 63.195 61.300 0.006 0.000 1.365 204 I CB -0.416 37.588 38.000 0.006 0.000 1.064 204 I HN 0.520 nan 8.210 nan 0.000 0.410 205 T N -1.980 112.580 114.554 0.009 0.000 2.978 205 T HA 0.130 4.480 4.350 0.000 0.000 0.262 205 T C 1.602 176.308 174.700 0.011 0.000 1.063 205 T CA 0.704 62.811 62.100 0.011 0.000 1.140 205 T CB 0.027 68.905 68.868 0.016 0.000 0.886 205 T HN 0.537 nan 8.240 nan 0.000 0.470 206 G N 0.595 109.402 108.800 0.010 0.000 2.142 206 G HA2 0.148 4.108 3.960 0.000 0.000 0.225 206 G HA3 0.148 4.108 3.960 0.000 0.000 0.225 206 G C 0.239 175.146 174.900 0.011 0.000 1.015 206 G CA -0.127 44.979 45.100 0.009 0.000 0.716 206 G HN 1.088 nan 8.290 nan 0.000 0.508 207 G N -1.453 107.356 108.800 0.014 0.000 2.816 207 G HA2 0.666 4.626 3.960 0.000 0.000 0.288 207 G HA3 0.666 4.626 3.960 0.000 0.000 0.288 207 G C -0.579 174.330 174.900 0.015 0.000 1.334 207 G CA -0.688 44.421 45.100 0.016 0.000 0.978 207 G HN 0.335 nan 8.290 nan 0.000 0.493 208 Q N -0.531 119.278 119.800 0.015 0.000 2.267 208 Q HA 0.473 4.813 4.340 0.000 0.000 0.255 208 Q C -0.157 175.852 176.000 0.015 0.000 0.923 208 Q CA -0.201 55.609 55.803 0.013 0.000 0.925 208 Q CB 1.960 30.704 28.738 0.010 0.000 1.195 208 Q HN 0.271 nan 8.270 nan 0.000 0.417 209 V N 4.646 124.568 119.914 0.013 0.000 2.461 209 V HA 0.270 4.390 4.120 0.000 0.000 0.275 209 V C 0.611 176.711 176.094 0.010 0.000 1.047 209 V CA -0.392 61.917 62.300 0.015 0.000 0.955 209 V CB 1.024 32.855 31.823 0.013 0.000 0.988 209 V HN 0.734 nan 8.190 nan 0.000 0.471 210 R N 3.068 123.574 120.500 0.010 0.000 1.728 210 R HA 0.492 4.832 4.340 0.000 0.000 0.126 210 R C 0.190 176.489 176.300 -0.001 0.000 2.075 210 R CA -0.261 55.841 56.100 0.003 0.000 1.805 210 R CB -0.254 30.046 30.300 0.001 0.000 1.352 210 R HN 0.484 nan 8.270 nan 0.000 0.493 211 L N 2.945 124.165 121.223 -0.005 0.000 2.453 211 L HA 0.207 4.547 4.340 0.000 0.000 0.272 211 L C -0.165 176.700 176.870 -0.009 0.000 1.182 211 L CA 0.169 55.003 54.840 -0.011 0.000 0.858 211 L CB 0.085 42.132 42.059 -0.020 0.000 1.120 211 L HN 0.095 nan 8.230 nan 0.000 0.474 212 R N 3.370 123.863 120.500 -0.012 0.000 2.487 212 R HA 0.597 4.937 4.340 0.000 0.000 0.288 212 R C -1.204 175.084 176.300 -0.020 0.000 1.394 212 R CA -0.156 55.936 56.100 -0.013 0.000 1.155 212 R CB 1.187 31.483 30.300 -0.007 0.000 1.156 212 R HN 0.493 nan 8.270 nan 0.000 0.553 213 I N 1.000 121.553 120.570 -0.029 0.000 3.093 213 I HA 0.438 4.608 4.170 0.000 0.000 0.308 213 I C -1.226 174.867 176.117 -0.040 0.000 1.303 213 I CA -1.347 59.934 61.300 -0.031 0.000 0.975 213 I CB 1.848 39.829 38.000 -0.032 0.000 1.286 213 I HN 0.472 nan 8.210 nan 0.000 0.459 214 L N 2.003 123.208 121.223 -0.030 0.000 2.466 214 L HA 0.665 5.005 4.340 0.000 0.000 0.257 214 L C -0.245 176.609 176.870 -0.026 0.000 1.189 214 L CA -0.143 54.685 54.840 -0.021 0.000 0.813 214 L CB 1.170 43.226 42.059 -0.005 0.000 1.118 214 L HN 0.643 nan 8.230 nan 0.000 0.471 215 S N 0.606 116.304 115.700 -0.005 0.000 2.451 215 S HA 0.319 4.789 4.470 0.000 0.000 0.301 215 S C 0.491 175.112 174.600 0.036 0.000 1.116 215 S CA -0.815 57.380 58.200 -0.009 0.000 1.093 215 S CB 0.959 64.124 63.200 -0.058 0.000 1.017 215 S HN 0.829 nan 8.310 nan 0.000 0.482 216 N N 2.640 121.352 118.700 0.020 0.000 2.515 216 N HA 0.004 4.744 4.740 0.000 0.000 0.185 216 N C 0.214 175.756 175.510 0.054 0.000 1.109 216 N CA 0.247 53.314 53.050 0.029 0.000 0.903 216 N CB -0.166 38.328 38.487 0.011 0.000 0.969 216 N HN 0.535 nan 8.380 nan 0.000 0.450 217 L N 1.767 123.031 121.223 0.068 0.000 2.391 217 L HA 0.255 4.595 4.340 0.000 0.000 0.249 217 L C 0.173 177.139 176.870 0.160 0.000 1.308 217 L CA -0.558 54.341 54.840 0.099 0.000 1.209 217 L CB -0.649 41.459 42.059 0.082 0.000 1.401 217 L HN -0.114 nan 8.230 nan 0.000 0.416 218 A N 2.288 125.183 122.820 0.125 0.000 3.026 218 A HA 0.161 4.481 4.320 0.000 0.000 0.272 218 A C 1.012 178.642 177.584 0.077 0.000 1.782 218 A CA 0.041 52.157 52.037 0.130 0.000 1.451 218 A CB -0.859 18.162 19.000 0.035 0.000 1.081 218 A HN 0.736 nan 8.150 nan 0.000 0.611 219 D N 0.446 120.962 120.400 0.193 0.000 2.363 219 D HA -0.072 4.568 4.640 0.000 0.000 0.226 219 D C 0.895 177.260 176.300 0.108 0.000 1.020 219 D CA 0.440 54.535 54.000 0.158 0.000 0.892 219 D CB -0.119 40.869 40.800 0.313 0.000 0.900 219 D HN 0.536 nan 8.370 nan 0.000 0.531 220 L N -1.033 120.227 121.223 0.062 0.000 2.616 220 L HA 0.250 4.590 4.340 0.000 0.000 0.229 220 L C 1.259 178.098 176.870 -0.052 0.000 1.110 220 L CA -0.240 54.590 54.840 -0.017 0.000 0.884 220 L CB 0.327 42.314 42.059 -0.121 0.000 1.115 220 L HN -0.134 nan 8.230 nan 0.000 0.481 221 R N 1.463 121.926 120.500 -0.060 0.000 2.505 221 R HA 0.447 4.787 4.340 0.000 0.000 0.284 221 R C -1.250 174.993 176.300 -0.095 0.000 1.324 221 R CA -0.275 55.784 56.100 -0.070 0.000 1.432 221 R CB 0.249 30.512 30.300 -0.062 0.000 1.107 221 R HN 0.115 nan 8.270 nan 0.000 0.587 222 L N 2.205 123.368 121.223 -0.099 0.000 2.325 222 L HA 0.724 5.064 4.340 0.000 0.000 0.278 222 L C -0.075 176.736 176.870 -0.099 0.000 1.023 222 L CA -0.959 53.800 54.840 -0.135 0.000 0.811 222 L CB 1.959 43.935 42.059 -0.139 0.000 1.249 222 L HN 0.449 nan 8.230 nan 0.000 0.431 223 A N 3.264 126.018 122.820 -0.109 0.000 2.337 223 A HA 0.890 5.210 4.320 0.000 0.000 0.329 223 A C -0.641 176.898 177.584 -0.076 0.000 1.146 223 A CA -0.648 51.340 52.037 -0.082 0.000 0.800 223 A CB 1.132 20.082 19.000 -0.083 0.000 1.220 223 A HN 0.813 nan 8.150 nan 0.000 0.472 224 R N 0.173 120.641 120.500 -0.054 0.000 2.807 224 R HA 0.822 5.162 4.340 0.000 0.000 0.276 224 R C -0.815 175.469 176.300 -0.026 0.000 0.979 224 R CA -0.568 55.506 56.100 -0.043 0.000 0.928 224 R CB 2.510 32.790 30.300 -0.034 0.000 1.191 224 R HN 0.967 nan 8.270 nan 0.000 0.471 225 A N 1.551 124.359 122.820 -0.020 0.000 2.572 225 A HA 0.565 4.885 4.320 0.000 0.000 0.295 225 A C -1.508 176.087 177.584 0.018 0.000 1.072 225 A CA -0.701 51.352 52.037 0.027 0.000 0.691 225 A CB 2.167 21.191 19.000 0.040 0.000 1.291 225 A HN 0.636 nan 8.150 nan 0.000 0.404 226 Q N -0.406 119.434 119.800 0.067 0.000 2.416 226 Q HA 0.710 5.050 4.340 0.000 0.000 0.281 226 Q C -1.078 174.930 176.000 0.014 0.000 1.067 226 Q CA -0.982 54.819 55.803 -0.004 0.000 0.809 226 Q CB 2.995 31.715 28.738 -0.030 0.000 1.418 226 Q HN 1.134 nan 8.270 nan 0.000 0.411 227 V N -1.857 118.017 119.914 -0.066 0.000 3.188 227 V HA 0.748 4.868 4.120 0.000 0.000 0.305 227 V C -1.228 174.820 176.094 -0.076 0.000 1.232 227 V CA -1.073 61.155 62.300 -0.120 0.000 1.043 227 V CB 2.429 34.196 31.823 -0.093 0.000 1.068 227 V HN 0.765 nan 8.190 nan 0.000 0.439 228 R N 1.407 121.847 120.500 -0.099 0.000 2.533 228 R HA 0.738 5.078 4.340 0.000 0.000 0.288 228 R C -2.032 174.201 176.300 -0.112 0.000 1.039 228 R CA -0.630 55.431 56.100 -0.065 0.000 0.909 228 R CB 1.814 32.069 30.300 -0.075 0.000 1.195 228 R HN 0.783 nan 8.270 nan 0.000 0.438 229 I N 3.060 123.586 120.570 -0.073 0.000 2.447 229 I HA 0.231 4.401 4.170 0.000 0.000 0.287 229 I C 0.213 176.237 176.117 -0.156 0.000 1.023 229 I CA -0.550 60.679 61.300 -0.119 0.000 1.083 229 I CB 1.982 39.940 38.000 -0.071 0.000 1.245 229 I HN 0.545 nan 8.210 nan 0.000 0.434 230 T N 8.409 122.824 114.554 -0.233 0.000 2.897 230 T HA 0.193 4.543 4.350 0.000 0.000 0.294 230 T C -1.220 173.441 174.700 -0.066 0.000 1.004 230 T CA -0.963 60.999 62.100 -0.230 0.000 1.106 230 T CB 1.282 69.982 68.868 -0.279 0.000 0.949 230 T HN 0.439 nan 8.240 nan 0.000 0.520 231 P HA -0.162 nan 4.420 nan 0.000 0.217 231 P C 1.285 178.593 177.300 0.014 0.000 1.148 231 P CA 1.131 64.249 63.100 0.030 0.000 0.828 231 P CB 0.274 32.014 31.700 0.067 0.000 0.783 232 Q N -0.242 119.564 119.800 0.010 0.000 2.364 232 Q HA -0.127 4.213 4.340 0.000 0.000 0.209 232 Q C 2.181 178.176 176.000 -0.009 0.000 0.977 232 Q CA 1.168 56.975 55.803 0.006 0.000 0.885 232 Q CB -0.290 28.451 28.738 0.006 0.000 0.941 232 Q HN 0.555 nan 8.270 nan 0.000 0.464 233 Q N -0.458 119.321 119.800 -0.035 0.000 2.302 233 Q HA 0.071 4.411 4.340 0.000 0.000 0.202 233 Q C 1.657 177.631 176.000 -0.043 0.000 0.936 233 Q CA 0.430 56.203 55.803 -0.050 0.000 0.886 233 Q CB 0.398 29.078 28.738 -0.096 0.000 0.986 233 Q HN 0.325 nan 8.270 nan 0.000 0.487 234 L N 0.458 121.660 121.223 -0.035 0.000 2.607 234 L HA 0.138 4.478 4.340 0.000 0.000 0.228 234 L C 0.597 177.479 176.870 0.019 0.000 1.123 234 L CA -0.130 54.693 54.840 -0.028 0.000 0.890 234 L CB 0.235 42.263 42.059 -0.052 0.000 1.103 234 L HN 0.101 nan 8.230 nan 0.000 0.468 235 E N 1.988 122.208 120.200 0.033 0.000 2.271 235 E HA -0.023 4.327 4.350 0.000 0.000 0.255 235 E C 0.777 177.423 176.600 0.076 0.000 1.177 235 E CA -0.094 56.342 56.400 0.060 0.000 0.946 235 E CB 0.424 30.152 29.700 0.047 0.000 1.009 235 E HN 0.260 nan 8.360 nan 0.000 0.451 236 T N 1.205 115.826 114.554 0.111 0.000 3.560 236 T HA 0.375 4.725 4.350 0.000 0.000 0.350 236 T C 1.233 175.986 174.700 0.088 0.000 1.264 236 T CA 0.023 62.193 62.100 0.116 0.000 0.924 236 T CB 0.340 69.311 68.868 0.171 0.000 1.997 236 T HN 0.351 nan 8.240 nan 0.000 0.553 237 A N 0.684 123.549 122.820 0.075 0.000 1.862 237 A HA 0.188 4.508 4.320 0.000 0.000 0.211 237 A C 2.061 179.631 177.584 -0.023 0.000 1.220 237 A CA 0.757 52.808 52.037 0.024 0.000 0.616 237 A CB -0.781 18.226 19.000 0.013 0.000 0.878 237 A HN 0.790 nan 8.150 nan 0.000 0.453 238 E N -1.201 118.948 120.200 -0.085 0.000 2.474 238 E HA 0.243 4.593 4.350 0.000 0.000 0.194 238 E C -0.701 175.658 176.600 -0.402 0.000 1.041 238 E CA 0.052 56.293 56.400 -0.266 0.000 0.874 238 E CB 0.020 29.475 29.700 -0.408 0.000 0.914 238 E HN 0.542 nan 8.360 nan 0.000 0.498 239 F N 1.436 121.391 119.950 0.008 0.000 2.444 239 F HA 0.292 4.819 4.527 0.000 0.000 0.342 239 F C 0.689 176.493 175.800 0.008 0.000 1.121 239 F CA -1.259 56.745 58.000 0.008 0.000 0.997 239 F CB 1.384 40.388 39.000 0.007 0.000 1.130 239 F HN -0.176 nan 8.300 nan 0.000 0.454 240 S N 1.493 117.306 115.700 0.188 0.000 2.600 240 S HA 0.267 4.737 4.470 0.000 0.000 0.265 240 S C 1.318 175.985 174.600 0.110 0.000 1.325 240 S CA -0.312 57.956 58.200 0.113 0.000 1.002 240 S CB 1.273 64.520 63.200 0.079 0.000 0.921 240 S HN 0.852 nan 8.310 nan 0.000 0.554 241 G N 1.034 109.877 108.800 0.072 0.000 2.418 241 G HA2 -0.199 3.761 3.960 0.000 0.000 0.217 241 G HA3 -0.199 3.761 3.960 0.000 0.000 0.217 241 G C 1.370 176.298 174.900 0.047 0.000 1.158 241 G CA 0.797 45.928 45.100 0.052 0.000 0.771 241 G HN 0.862 nan 8.290 nan 0.000 0.545 242 E N 1.299 121.532 120.200 0.054 0.000 2.106 242 E HA 0.001 4.351 4.350 0.000 0.000 0.192 242 E C 2.672 179.301 176.600 0.048 0.000 0.984 242 E CA 1.004 57.434 56.400 0.050 0.000 0.806 242 E CB -0.807 28.922 29.700 0.048 0.000 0.750 242 E HN 0.371 nan 8.360 nan 0.000 0.458 243 A N 1.615 124.478 122.820 0.072 0.000 2.019 243 A HA -0.043 4.277 4.320 0.000 0.000 0.219 243 A C 2.518 180.115 177.584 0.021 0.000 1.164 243 A CA 1.132 53.221 52.037 0.085 0.000 0.644 243 A CB -0.498 18.612 19.000 0.183 0.000 0.805 243 A HN 0.147 nan 8.150 nan 0.000 0.449 244 V N 0.359 120.272 119.914 -0.003 0.000 2.488 244 V HA -0.154 3.966 4.120 0.000 0.000 0.246 244 V C 2.374 178.422 176.094 -0.077 0.000 1.046 244 V CA 1.230 63.474 62.300 -0.094 0.000 1.053 244 V CB -0.495 31.280 31.823 -0.080 0.000 0.679 244 V HN 0.501 nan 8.190 nan 0.000 0.458 245 I N 0.225 120.776 120.570 -0.030 0.000 2.179 245 I HA -0.167 4.003 4.170 0.000 0.000 0.242 245 I C 2.625 178.740 176.117 -0.002 0.000 1.088 245 I CA 1.487 62.777 61.300 -0.016 0.000 1.357 245 I CB -1.165 36.849 38.000 0.023 0.000 1.051 245 I HN 0.369 nan 8.210 nan 0.000 0.409 246 E N 1.025 121.230 120.200 0.009 0.000 2.160 246 E HA -0.168 4.182 4.350 0.000 0.000 0.195 246 E C 2.282 178.883 176.600 0.002 0.000 0.991 246 E CA 1.345 57.757 56.400 0.020 0.000 0.810 246 E CB -0.620 29.095 29.700 0.025 0.000 0.742 246 E HN 0.568 nan 8.360 nan 0.000 0.466 247 G N 1.313 110.089 108.800 -0.041 0.000 2.418 247 G HA2 -0.205 3.755 3.960 0.000 0.000 0.217 247 G HA3 -0.205 3.755 3.960 0.000 0.000 0.217 247 G C 1.774 176.647 174.900 -0.044 0.000 1.158 247 G CA 0.569 45.628 45.100 -0.068 0.000 0.771 247 G HN 0.204 nan 8.290 nan 0.000 0.545 248 I N 0.451 120.981 120.570 -0.067 0.000 2.252 248 I HA -0.112 4.058 4.170 0.000 0.000 0.245 248 I C 2.689 178.826 176.117 0.033 0.000 1.102 248 I CA 0.643 61.891 61.300 -0.086 0.000 1.385 248 I CB -0.194 37.678 38.000 -0.213 0.000 1.064 248 I HN 0.131 nan 8.210 nan 0.000 0.414 249 L N 0.158 121.432 121.223 0.084 0.000 2.083 249 L HA -0.242 4.098 4.340 0.000 0.000 0.209 249 L C 2.104 179.080 176.870 0.178 0.000 1.083 249 L CA 1.224 56.182 54.840 0.197 0.000 0.752 249 L CB -0.770 41.388 42.059 0.164 0.000 0.899 249 L HN 0.262 nan 8.230 nan 0.000 0.433 250 D N 0.261 120.720 120.400 0.099 0.000 2.144 250 D HA -0.139 4.501 4.640 0.000 0.000 0.199 250 D C 2.220 178.596 176.300 0.126 0.000 0.984 250 D CA 1.474 55.519 54.000 0.075 0.000 0.834 250 D CB 0.063 40.879 40.800 0.026 0.000 0.955 250 D HN 0.304 nan 8.370 nan 0.000 0.465 251 A N -0.063 122.844 122.820 0.145 0.000 1.930 251 A HA -0.190 4.130 4.320 0.000 0.000 0.217 251 A C 2.157 179.871 177.584 0.216 0.000 1.175 251 A CA 1.077 53.241 52.037 0.213 0.000 0.627 251 A CB -0.870 18.222 19.000 0.153 0.000 0.815 251 A HN 0.327 nan 8.150 nan 0.000 0.443 252 Y N 0.857 121.228 120.300 0.119 0.000 2.114 252 Y HA -0.059 4.491 4.550 0.000 0.000 0.284 252 Y C 2.602 178.547 175.900 0.075 0.000 1.143 252 Y CA 1.146 59.317 58.100 0.118 0.000 1.135 252 Y CB -0.887 37.729 38.460 0.261 0.000 0.980 252 Y HN 0.283 nan 8.280 nan 0.000 0.499 253 A N 0.554 123.243 122.820 -0.218 0.000 1.917 253 A HA -0.241 4.079 4.320 0.000 0.000 0.219 253 A C 2.231 179.761 177.584 -0.090 0.000 1.182 253 A CA 1.760 53.639 52.037 -0.264 0.000 0.633 253 A CB -1.626 17.345 19.000 -0.049 0.000 0.819 253 A HN 0.613 nan 8.150 nan 0.000 0.448 254 F N 1.119 120.984 119.950 -0.142 0.000 2.095 254 F HA -0.130 4.397 4.527 0.000 0.000 0.298 254 F C 2.519 178.264 175.800 -0.092 0.000 1.104 254 F CA 1.018 58.972 58.000 -0.075 0.000 1.232 254 F CB -1.000 37.987 39.000 -0.022 0.000 0.987 254 F HN 0.266 nan 8.300 nan 0.000 0.475 255 A N 0.069 122.768 122.820 -0.203 0.000 1.968 255 A HA 0.133 4.453 4.320 0.000 0.000 0.217 255 A C 2.350 179.777 177.584 -0.261 0.000 1.169 255 A CA 1.342 53.163 52.037 -0.359 0.000 0.638 255 A CB -1.367 17.263 19.000 -0.618 0.000 0.812 255 A HN 0.418 nan 8.150 nan 0.000 0.446 256 A N -1.156 121.469 122.820 -0.325 0.000 2.172 256 A HA 0.207 4.527 4.320 0.000 0.000 0.216 256 A C 1.936 179.514 177.584 -0.010 0.000 1.154 256 A CA 1.597 53.489 52.037 -0.241 0.000 0.701 256 A CB -0.305 18.397 19.000 -0.496 0.000 0.789 256 A HN 0.794 nan 8.150 nan 0.000 0.465 257 V N -1.239 118.702 119.914 0.044 0.000 3.484 257 V HA 0.174 4.294 4.120 0.000 0.000 0.252 257 V C -0.597 175.644 176.094 0.244 0.000 1.282 257 V CA 0.719 63.115 62.300 0.159 0.000 1.104 257 V CB 0.525 32.401 31.823 0.087 0.000 0.868 257 V HN 0.438 nan 8.190 nan 0.000 0.457 258 D N -0.433 120.070 120.400 0.170 0.000 2.425 258 D HA 0.406 5.046 4.640 0.000 0.000 0.240 258 D C -2.021 174.312 176.300 0.056 0.000 1.080 258 D CA -2.190 51.917 54.000 0.179 0.000 0.836 258 D CB 2.301 43.256 40.800 0.258 0.000 1.125 258 D HN 0.055 nan 8.370 nan 0.000 0.525 259 P HA -0.084 nan 4.420 nan 0.000 0.220 259 P C 0.763 177.993 177.300 -0.117 0.000 1.148 259 P CA 0.917 63.984 63.100 -0.054 0.000 0.803 259 P CB 0.091 31.684 31.700 -0.177 0.000 0.782 260 Y N -0.457 119.828 120.300 -0.025 0.000 2.224 260 Y HA -0.175 4.375 4.550 0.000 0.000 0.289 260 Y C 2.732 178.580 175.900 -0.088 0.000 1.146 260 Y CA 1.270 59.344 58.100 -0.043 0.000 1.182 260 Y CB -0.367 38.089 38.460 -0.006 0.000 0.983 260 Y HN -0.155 nan 8.280 nan 0.000 0.524 261 R N 0.485 120.941 120.500 -0.073 0.000 2.080 261 R HA 0.045 4.385 4.340 0.000 0.000 0.222 261 R C 2.248 178.497 176.300 -0.085 0.000 1.107 261 R CA 1.187 57.127 56.100 -0.266 0.000 0.980 261 R CB -0.689 29.037 30.300 -0.958 0.000 0.879 261 R HN 0.137 nan 8.270 nan 0.000 0.439 262 A N 1.015 123.811 122.820 -0.040 0.000 1.917 262 A HA -0.155 4.165 4.320 0.000 0.000 0.219 262 A C 2.441 180.226 177.584 0.335 0.000 1.182 262 A CA 2.003 54.106 52.037 0.110 0.000 0.633 262 A CB -1.229 17.833 19.000 0.104 0.000 0.819 262 A HN 0.549 nan 8.150 nan 0.000 0.448 263 A N -1.072 121.926 122.820 0.297 0.000 1.908 263 A HA -0.113 4.207 4.320 0.000 0.000 0.218 263 A C 2.318 180.019 177.584 0.195 0.000 1.181 263 A CA 2.418 54.590 52.037 0.225 0.000 0.627 263 A CB -1.270 17.690 19.000 -0.065 0.000 0.818 263 A HN 0.478 nan 8.150 nan 0.000 0.445 264 T N -1.433 113.200 114.554 0.133 0.000 2.812 264 T HA -0.119 4.231 4.350 0.000 0.000 0.264 264 T C 1.883 176.670 174.700 0.146 0.000 1.042 264 T CA 1.195 63.362 62.100 0.112 0.000 1.140 264 T CB -0.491 68.421 68.868 0.073 0.000 0.870 264 T HN 0.663 nan 8.240 nan 0.000 0.445 265 H N 1.764 120.873 119.070 0.065 0.000 2.319 265 H HA -0.048 4.508 4.556 0.000 0.000 0.299 265 H C 1.911 177.304 175.328 0.109 0.000 1.092 265 H CA 1.786 57.880 56.048 0.078 0.000 1.302 265 H CB -0.214 29.588 29.762 0.067 0.000 1.373 265 H HN 0.430 nan 8.280 nan 0.000 0.497 266 N N 0.145 118.991 118.700 0.244 0.000 2.331 266 N HA -0.113 4.627 4.740 0.000 0.000 0.180 266 N C 2.106 177.700 175.510 0.140 0.000 1.019 266 N CA 0.157 53.309 53.050 0.170 0.000 0.881 266 N CB 0.150 38.778 38.487 0.236 0.000 0.972 266 N HN 0.195 nan 8.380 nan 0.000 0.435 267 K N 1.614 122.126 120.400 0.187 0.000 2.057 267 K HA -0.081 4.239 4.320 0.000 0.000 0.207 267 K C 1.949 178.589 176.600 0.067 0.000 1.049 267 K CA 1.283 57.660 56.287 0.149 0.000 0.931 267 K CB -0.508 32.065 32.500 0.122 0.000 0.714 267 K HN 0.191 nan 8.250 nan 0.000 0.440 268 G N 1.646 110.465 108.800 0.032 0.000 2.442 268 G HA2 -0.209 3.751 3.960 0.000 0.000 0.219 268 G HA3 -0.209 3.751 3.960 0.000 0.000 0.219 268 G C 1.741 176.633 174.900 -0.014 0.000 1.141 268 G CA 0.831 45.928 45.100 -0.005 0.000 0.763 268 G HN 0.313 nan 8.290 nan 0.000 0.554 269 I N 0.646 121.200 120.570 -0.026 0.000 2.179 269 I HA -0.155 4.015 4.170 0.000 0.000 0.242 269 I C 2.643 178.751 176.117 -0.015 0.000 1.088 269 I CA 0.883 62.170 61.300 -0.021 0.000 1.357 269 I CB -0.187 37.798 38.000 -0.026 0.000 1.051 269 I HN 0.105 nan 8.210 nan 0.000 0.409 270 M N 0.077 119.675 119.600 -0.004 0.000 2.460 270 M HA -0.129 4.351 4.480 0.000 0.000 0.263 270 M C 1.732 178.029 176.300 -0.006 0.000 1.071 270 M CA 1.154 56.455 55.300 0.002 0.000 1.096 270 M CB -1.719 30.910 32.600 0.049 0.000 1.408 270 M HN 0.231 nan 8.290 nan 0.000 0.463 271 N N 0.832 119.530 118.700 -0.003 0.000 2.205 271 N HA -0.087 4.653 4.740 0.000 0.000 0.186 271 N C 1.767 177.258 175.510 -0.031 0.000 1.015 271 N CA 1.626 54.667 53.050 -0.014 0.000 0.862 271 N CB -0.274 38.212 38.487 -0.002 0.000 0.986 271 N HN 0.510 nan 8.380 nan 0.000 0.429 272 G N -0.834 107.947 108.800 -0.031 0.000 2.762 272 G HA2 0.112 4.072 3.960 0.000 0.000 0.209 272 G HA3 0.112 4.072 3.960 0.000 0.000 0.209 272 G C 1.609 176.456 174.900 -0.089 0.000 1.134 272 G CA -0.174 44.895 45.100 -0.051 0.000 0.781 272 G HN 0.192 nan 8.290 nan 0.000 0.528 273 I N 0.909 121.435 120.570 -0.073 0.000 2.235 273 I HA -0.034 4.136 4.170 0.000 0.000 0.241 273 I C 2.151 178.226 176.117 -0.070 0.000 1.085 273 I CA 0.833 62.084 61.300 -0.082 0.000 1.378 273 I CB -0.094 37.869 38.000 -0.062 0.000 1.076 273 I HN -0.032 nan 8.210 nan 0.000 0.415 274 D N 1.212 121.582 120.400 -0.050 0.000 2.116 274 D HA -0.153 4.487 4.640 0.000 0.000 0.193 274 D C -0.531 175.707 176.300 -0.103 0.000 0.998 274 D CA 1.629 55.599 54.000 -0.049 0.000 0.836 274 D CB -1.698 39.058 40.800 -0.074 0.000 0.951 274 D HN 0.212 nan 8.370 nan 0.000 0.449 275 P HA -0.137 nan 4.420 nan 0.000 0.216 275 P C 1.635 178.837 177.300 -0.163 0.000 1.153 275 P CA 0.753 63.758 63.100 -0.158 0.000 0.858 275 P CB 0.019 31.633 31.700 -0.143 0.000 0.789 276 L N -1.115 120.017 121.223 -0.153 0.000 2.093 276 L HA -0.111 4.229 4.340 0.000 0.000 0.208 276 L C 1.986 178.789 176.870 -0.112 0.000 1.085 276 L CA 1.854 56.597 54.840 -0.161 0.000 0.755 276 L CB -1.145 40.809 42.059 -0.174 0.000 0.904 276 L HN -0.133 nan 8.230 nan 0.000 0.435 277 I N -1.053 119.475 120.570 -0.069 0.000 2.252 277 I HA -0.199 3.971 4.170 0.000 0.000 0.245 277 I C 2.525 178.652 176.117 0.017 0.000 1.102 277 I CA 1.095 62.390 61.300 -0.009 0.000 1.385 277 I CB -1.248 36.780 38.000 0.046 0.000 1.064 277 I HN 0.100 nan 8.210 nan 0.000 0.414 278 V N 1.328 121.236 119.914 -0.011 0.000 2.427 278 V HA -0.173 3.947 4.120 0.000 0.000 0.248 278 V C 2.805 178.868 176.094 -0.053 0.000 1.051 278 V CA 1.522 63.819 62.300 -0.004 0.000 1.048 278 V CB -1.022 30.728 31.823 -0.121 0.000 0.666 278 V HN 0.430 nan 8.190 nan 0.000 0.456 279 A N 0.765 123.519 122.820 -0.109 0.000 1.972 279 A HA -0.197 4.123 4.320 0.000 0.000 0.219 279 A C 2.286 179.828 177.584 -0.070 0.000 1.169 279 A CA 2.264 54.218 52.037 -0.138 0.000 0.635 279 A CB -0.755 18.085 19.000 -0.267 0.000 0.810 279 A HN 0.628 nan 8.150 nan 0.000 0.446 280 T N -4.179 110.343 114.554 -0.054 0.000 3.107 280 T HA 0.413 4.763 4.350 0.000 0.000 0.249 280 T C 1.226 175.922 174.700 -0.007 0.000 1.096 280 T CA 0.908 62.993 62.100 -0.025 0.000 1.012 280 T CB -0.032 68.819 68.868 -0.028 0.000 0.977 280 T HN 1.668 nan 8.240 nan 0.000 0.527 281 G N 1.608 110.404 108.800 -0.006 0.000 2.176 281 G HA2 -0.236 3.724 3.960 0.000 0.000 0.252 281 G HA3 -0.236 3.724 3.960 0.000 0.000 0.252 281 G C -0.167 174.765 174.900 0.053 0.000 1.024 281 G CA -0.304 44.812 45.100 0.027 0.000 0.755 281 G HN 0.578 nan 8.290 nan 0.000 0.507 282 N N 0.412 119.147 118.700 0.058 0.000 2.492 282 N HA 0.300 5.040 4.740 0.000 0.000 0.289 282 N C -0.532 175.033 175.510 0.092 0.000 1.133 282 N CA -0.534 52.548 53.050 0.054 0.000 0.961 282 N CB 1.047 39.553 38.487 0.032 0.000 1.186 282 N HN 0.203 nan 8.380 nan 0.000 0.493 283 D N 1.548 121.963 120.400 0.026 0.000 2.368 283 D HA -0.081 4.559 4.640 0.000 0.000 0.268 283 D C 0.958 177.266 176.300 0.014 0.000 1.298 283 D CA -0.124 53.846 54.000 -0.049 0.000 0.938 283 D CB 0.287 41.028 40.800 -0.098 0.000 1.101 283 D HN 0.570 nan 8.370 nan 0.000 0.509 284 W N 5.026 126.317 121.300 -0.016 0.000 2.678 284 W HA 0.089 4.749 4.660 0.000 0.000 0.256 284 W C 1.513 178.030 176.519 -0.002 0.000 1.280 284 W CA -0.111 57.225 57.345 -0.014 0.000 1.345 284 W CB -0.184 29.265 29.460 -0.017 0.000 1.118 284 W HN 0.269 nan 8.180 nan 0.000 0.629 285 R N 1.003 121.268 120.500 -0.390 0.000 2.090 285 R HA 0.053 4.393 4.340 0.000 0.000 0.228 285 R C 2.644 178.899 176.300 -0.074 0.000 1.110 285 R CA 1.766 57.719 56.100 -0.243 0.000 0.973 285 R CB -0.889 29.187 30.300 -0.374 0.000 0.869 285 R HN 0.258 nan 8.270 nan 0.000 0.440 286 A N 0.432 123.202 122.820 -0.083 0.000 1.933 286 A HA -0.110 4.210 4.320 0.000 0.000 0.218 286 A C 2.221 179.810 177.584 0.007 0.000 1.175 286 A CA 1.436 53.452 52.037 -0.034 0.000 0.628 286 A CB -0.436 18.539 19.000 -0.042 0.000 0.814 286 A HN 0.125 nan 8.150 nan 0.000 0.444 287 V N -0.084 119.847 119.914 0.028 0.000 2.453 287 V HA -0.154 3.966 4.120 0.000 0.000 0.247 287 V C 2.476 178.604 176.094 0.057 0.000 1.048 287 V CA 1.775 64.095 62.300 0.034 0.000 1.049 287 V CB -0.641 31.206 31.823 0.040 0.000 0.672 287 V HN 0.503 nan 8.190 nan 0.000 0.457 288 E N 0.661 120.928 120.200 0.112 0.000 2.051 288 E HA -0.190 4.160 4.350 0.000 0.000 0.192 288 E C 2.414 179.140 176.600 0.209 0.000 0.991 288 E CA 1.546 58.057 56.400 0.185 0.000 0.799 288 E CB -0.406 29.443 29.700 0.249 0.000 0.748 288 E HN 0.544 nan 8.360 nan 0.000 0.449 289 A N 1.107 124.008 122.820 0.135 0.000 1.883 289 A HA -0.120 4.200 4.320 0.000 0.000 0.217 289 A C 2.479 180.133 177.584 0.116 0.000 1.186 289 A CA 2.070 54.177 52.037 0.118 0.000 0.624 289 A CB -1.078 17.954 19.000 0.053 0.000 0.822 289 A HN 0.350 nan 8.150 nan 0.000 0.444 290 G N -0.931 107.915 108.800 0.076 0.000 2.422 290 G HA2 0.093 4.053 3.960 0.000 0.000 0.218 290 G HA3 0.093 4.053 3.960 0.000 0.000 0.218 290 G C 1.671 176.611 174.900 0.068 0.000 1.140 290 G CA 1.315 46.454 45.100 0.064 0.000 0.775 290 G HN 0.764 nan 8.290 nan 0.000 0.545 291 A N 0.611 123.450 122.820 0.031 0.000 1.855 291 A HA 0.010 4.330 4.320 0.000 0.000 0.215 291 A C 2.094 179.676 177.584 -0.004 0.000 1.191 291 A CA 1.762 53.778 52.037 -0.035 0.000 0.613 291 A CB -0.666 18.250 19.000 -0.140 0.000 0.829 291 A HN 0.467 nan 8.150 nan 0.000 0.442 292 H N -0.735 118.421 119.070 0.144 0.000 2.428 292 H HA 0.173 4.729 4.556 0.000 0.000 0.296 292 H C 2.341 177.789 175.328 0.201 0.000 1.062 292 H CA 1.112 57.286 56.048 0.211 0.000 1.350 292 H CB 0.015 29.907 29.762 0.218 0.000 1.403 292 H HN 0.524 nan 8.280 nan 0.000 0.533 293 A N 0.066 123.039 122.820 0.256 0.000 2.015 293 A HA -0.197 4.123 4.320 0.000 0.000 0.219 293 A C 1.916 179.603 177.584 0.172 0.000 1.163 293 A CA 1.168 53.316 52.037 0.186 0.000 0.646 293 A CB -0.661 18.423 19.000 0.139 0.000 0.806 293 A HN 0.556 nan 8.150 nan 0.000 0.448 294 Y N 0.246 120.570 120.300 0.040 0.000 2.395 294 Y HA 0.152 4.702 4.550 0.000 0.000 0.293 294 Y C 2.489 178.372 175.900 -0.027 0.000 1.123 294 Y CA 0.525 58.629 58.100 0.007 0.000 1.227 294 Y CB -0.292 38.165 38.460 -0.005 0.000 1.012 294 Y HN 0.300 nan 8.280 nan 0.000 0.552 295 A N -0.447 122.379 122.820 0.009 0.000 1.978 295 A HA -0.223 4.097 4.320 0.000 0.000 0.220 295 A C 1.698 179.132 177.584 -0.250 0.000 1.170 295 A CA 1.502 53.415 52.037 -0.207 0.000 0.636 295 A CB -1.483 17.262 19.000 -0.426 0.000 0.810 295 A HN 0.667 nan 8.150 nan 0.000 0.448 296 C N -0.725 118.522 119.300 -0.088 0.000 2.422 296 C HA 0.575 5.035 4.460 0.000 0.000 0.301 296 C C 1.712 176.678 174.990 -0.040 0.000 1.444 296 C CA -0.314 58.683 59.018 -0.035 0.000 1.771 296 C CB -1.524 26.282 27.740 0.109 0.000 2.834 296 C HN 0.664 nan 8.230 nan 0.000 0.545 297 R N 1.237 121.659 120.500 -0.129 0.000 2.148 297 R HA -0.038 4.302 4.340 0.000 0.000 0.223 297 R C 1.252 177.503 176.300 -0.083 0.000 1.088 297 R CA 1.775 57.798 56.100 -0.129 0.000 0.985 297 R CB -0.601 29.531 30.300 -0.280 0.000 0.880 297 R HN 0.599 nan 8.270 nan 0.000 0.451 298 S N -0.343 115.313 115.700 -0.073 0.000 2.602 298 S HA 0.325 4.795 4.470 0.000 0.000 0.246 298 S C 1.080 175.692 174.600 0.021 0.000 1.009 298 S CA -0.204 57.980 58.200 -0.028 0.000 1.052 298 S CB 0.527 63.709 63.200 -0.030 0.000 0.778 298 S HN 0.621 nan 8.310 nan 0.000 0.455 299 G N 1.060 109.878 108.800 0.029 0.000 2.175 299 G HA2 -0.288 3.672 3.960 0.000 0.000 0.265 299 G HA3 -0.288 3.672 3.960 0.000 0.000 0.265 299 G C -0.067 174.913 174.900 0.134 0.000 0.979 299 G CA 0.635 45.771 45.100 0.060 0.000 0.663 299 G HN 0.865 nan 8.290 nan 0.000 0.533 300 H N -1.734 117.337 119.070 0.002 0.000 2.856 300 H HA 0.382 4.938 4.556 0.000 0.000 0.355 300 H C -1.134 174.215 175.328 0.034 0.000 1.079 300 H CA -0.897 55.164 56.048 0.022 0.000 1.240 300 H CB 1.362 31.125 29.762 0.001 0.000 1.701 300 H HN 0.110 nan 8.280 nan 0.000 0.527 301 Y N 4.687 124.733 120.300 -0.423 0.000 2.587 301 Y HA 0.324 4.874 4.550 0.000 0.000 0.344 301 Y C 0.083 175.705 175.900 -0.463 0.000 1.061 301 Y CA 1.082 58.980 58.100 -0.337 0.000 1.370 301 Y CB 0.110 38.423 38.460 -0.244 0.000 1.163 301 Y HN 0.719 nan 8.280 nan 0.000 0.527 302 G N 2.678 111.112 108.800 -0.610 0.000 3.251 302 G HA2 0.325 4.285 3.960 0.000 0.000 0.248 302 G HA3 0.325 4.285 3.960 0.000 0.000 0.248 302 G C -1.175 173.514 174.900 -0.351 0.000 1.320 302 G CA -0.998 43.872 45.100 -0.383 0.000 0.982 302 G HN 0.512 nan 8.290 nan 0.000 0.575 303 S N -1.072 114.544 115.700 -0.140 0.000 2.549 303 S HA 0.204 4.674 4.470 0.000 0.000 0.279 303 S C 1.450 176.080 174.600 0.050 0.000 1.321 303 S CA -0.564 57.643 58.200 0.012 0.000 1.054 303 S CB 0.507 63.790 63.200 0.139 0.000 0.899 303 S HN 0.377 nan 8.310 nan 0.000 0.497 304 L N 3.298 124.579 121.223 0.097 0.000 2.162 304 L HA 0.077 4.417 4.340 0.000 0.000 0.205 304 L C 1.529 178.446 176.870 0.079 0.000 1.086 304 L CA 0.656 55.540 54.840 0.072 0.000 0.778 304 L CB -0.397 41.688 42.059 0.043 0.000 0.928 304 L HN 0.730 nan 8.230 nan 0.000 0.446 305 T N -2.793 111.841 114.554 0.132 0.000 2.897 305 T HA 0.479 4.829 4.350 0.000 0.000 0.278 305 T C 0.042 174.663 174.700 -0.132 0.000 0.981 305 T CA -0.385 61.707 62.100 -0.014 0.000 0.973 305 T CB 1.699 70.596 68.868 0.049 0.000 1.092 305 T HN 0.150 nan 8.240 nan 0.000 0.543 306 T N -1.656 112.573 114.554 -0.541 0.000 2.952 306 T HA 0.579 4.929 4.350 0.000 0.000 0.305 306 T C -1.957 172.031 174.700 -1.187 0.000 1.064 306 T CA -0.904 60.700 62.100 -0.826 0.000 1.008 306 T CB 0.850 69.466 68.868 -0.421 0.000 1.078 306 T HN 0.790 nan 8.240 nan 0.000 0.459 307 W N 1.512 122.209 121.300 -1.005 0.000 2.683 307 W HA 0.664 5.324 4.660 0.000 0.000 0.329 307 W C 0.062 176.420 176.519 -0.269 0.000 1.037 307 W CA -0.488 56.588 57.345 -0.448 0.000 1.232 307 W CB 1.817 31.126 29.460 -0.252 0.000 1.390 307 W HN 0.810 nan 8.180 nan 0.000 0.465 308 E N 1.253 121.502 120.200 0.082 0.000 2.445 308 E HA 0.477 4.827 4.350 0.000 0.000 0.273 308 E C -1.425 175.249 176.600 0.123 0.000 0.961 308 E CA -1.532 54.926 56.400 0.096 0.000 0.807 308 E CB 2.676 32.392 29.700 0.027 0.000 1.362 308 E HN 0.169 nan 8.360 nan 0.000 0.453 309 K N 1.999 122.458 120.400 0.098 0.000 2.450 309 K HA 0.148 4.468 4.320 0.000 0.000 0.257 309 K C -1.121 175.512 176.600 0.055 0.000 0.953 309 K CA -0.589 55.751 56.287 0.088 0.000 0.844 309 K CB 0.786 33.334 32.500 0.081 0.000 1.103 309 K HN 0.495 nan 8.250 nan 0.000 0.429 310 D N 2.577 123.006 120.400 0.048 0.000 2.447 310 D HA -0.029 4.611 4.640 0.000 0.000 0.265 310 D C 0.971 177.258 176.300 -0.021 0.000 1.250 310 D CA -0.221 53.787 54.000 0.014 0.000 1.046 310 D CB 0.394 41.204 40.800 0.016 0.000 1.095 310 D HN 0.634 nan 8.370 nan 0.000 0.555 311 N N 0.564 119.244 118.700 -0.034 0.000 2.137 311 N HA -0.243 4.497 4.740 0.000 0.000 0.190 311 N C 0.594 176.045 175.510 -0.098 0.000 1.017 311 N CA 1.044 54.064 53.050 -0.050 0.000 0.859 311 N CB -0.746 37.717 38.487 -0.041 0.000 1.002 311 N HN 0.385 nan 8.380 nan 0.000 0.428 312 N N 0.490 119.083 118.700 -0.178 0.000 2.515 312 N HA 0.048 4.788 4.740 0.000 0.000 0.191 312 N C 0.843 176.123 175.510 -0.384 0.000 1.182 312 N CA 0.851 53.687 53.050 -0.357 0.000 0.879 312 N CB -0.018 38.084 38.487 -0.641 0.000 0.984 312 N HN 0.589 nan 8.380 nan 0.000 0.453 313 G N 0.704 109.407 108.800 -0.163 0.000 2.179 313 G HA2 -0.276 3.684 3.960 0.000 0.000 0.257 313 G HA3 -0.276 3.684 3.960 0.000 0.000 0.257 313 G C -0.279 174.658 174.900 0.063 0.000 1.010 313 G CA 0.190 45.263 45.100 -0.044 0.000 0.736 313 G HN 0.574 nan 8.290 nan 0.000 0.513 314 H N -1.433 117.648 119.070 0.019 0.000 2.472 314 H HA 0.503 5.059 4.556 0.000 0.000 0.335 314 H C 0.122 175.474 175.328 0.040 0.000 1.136 314 H CA -1.181 54.879 56.048 0.020 0.000 1.264 314 H CB 1.770 31.537 29.762 0.008 0.000 1.486 314 H HN 0.162 nan 8.280 nan 0.000 0.517 315 L N 4.312 125.640 121.223 0.176 0.000 2.313 315 L HA 0.169 4.509 4.340 0.000 0.000 0.282 315 L C -0.644 176.344 176.870 0.197 0.000 1.092 315 L CA -0.292 54.656 54.840 0.180 0.000 0.831 315 L CB 0.282 42.428 42.059 0.146 0.000 1.159 315 L HN 0.430 nan 8.230 nan 0.000 0.442 316 V N 2.694 122.714 119.914 0.177 0.000 2.495 316 V HA 1.017 5.137 4.120 0.000 0.000 0.298 316 V C 0.154 176.179 176.094 -0.115 0.000 1.031 316 V CA -0.146 62.185 62.300 0.052 0.000 0.871 316 V CB 0.968 32.791 31.823 -0.000 0.000 0.988 316 V HN 0.906 nan 8.190 nan 0.000 0.432 317 G N 2.349 110.906 108.800 -0.405 0.000 2.591 317 G HA2 0.781 4.741 3.960 0.000 0.000 0.306 317 G HA3 0.781 4.741 3.960 0.000 0.000 0.306 317 G C -0.485 173.961 174.900 -0.757 0.000 1.334 317 G CA -0.090 44.265 45.100 -1.242 0.000 0.981 317 G HN 1.286 nan 8.290 nan 0.000 0.491 318 T N -1.559 112.563 114.554 -0.720 0.000 2.916 318 T HA 0.764 5.114 4.350 0.000 0.000 0.292 318 T C -1.341 173.176 174.700 -0.306 0.000 1.064 318 T CA -0.895 60.980 62.100 -0.375 0.000 1.011 318 T CB 2.035 70.754 68.868 -0.249 0.000 1.152 318 T HN 1.092 nan 8.240 nan 0.000 0.510 319 L N 0.739 121.867 121.223 -0.158 0.000 2.580 319 L HA 0.665 5.005 4.340 0.000 0.000 0.266 319 L C -1.180 175.654 176.870 -0.060 0.000 0.955 319 L CA -0.374 54.411 54.840 -0.092 0.000 0.886 319 L CB 1.800 43.822 42.059 -0.062 0.000 1.263 319 L HN 1.025 nan 8.230 nan 0.000 0.406 320 E N 6.422 126.605 120.200 -0.029 0.000 2.241 320 E HA 0.769 5.119 4.350 0.000 0.000 0.263 320 E C -1.387 175.175 176.600 -0.064 0.000 0.882 320 E CA -0.550 55.831 56.400 -0.031 0.000 0.769 320 E CB 1.291 31.004 29.700 0.021 0.000 1.185 320 E HN 0.754 nan 8.360 nan 0.000 0.415 321 M N 1.404 120.886 119.600 -0.196 0.000 2.732 321 M HA 0.578 5.058 4.480 0.000 0.000 0.272 321 M C -2.951 173.131 176.300 -0.363 0.000 1.203 321 M CA -2.216 52.870 55.300 -0.357 0.000 0.841 321 M CB 2.046 34.545 32.600 -0.168 0.000 1.685 321 M HN 0.041 nan 8.290 nan 0.000 0.492 322 P HA 0.280 nan 4.420 nan 0.000 0.271 322 P C -0.954 176.257 177.300 -0.147 0.000 1.216 322 P CA -0.007 62.939 63.100 -0.256 0.000 0.776 322 P CB 0.422 31.997 31.700 -0.208 0.000 0.881 323 M N 4.199 123.734 119.600 -0.109 0.000 2.353 323 M HA 0.221 4.701 4.480 0.000 0.000 0.218 323 M C -2.542 173.724 176.300 -0.056 0.000 1.044 323 M CA -2.252 53.001 55.300 -0.077 0.000 0.615 323 M CB 1.407 33.959 32.600 -0.080 0.000 1.531 323 M HN 0.064 nan 8.290 nan 0.000 0.378 324 P HA 0.192 nan 4.420 nan 0.000 0.256 324 P C -0.210 177.075 177.300 -0.025 0.000 1.688 324 P CA 0.125 63.207 63.100 -0.030 0.000 1.162 324 P CB 0.934 32.623 31.700 -0.019 0.000 1.870 325 V N 2.503 122.399 119.914 -0.029 0.000 3.113 325 V HA 0.921 5.041 4.120 0.000 0.000 0.316 325 V C 0.212 176.292 176.094 -0.022 0.000 1.125 325 V CA -0.511 61.774 62.300 -0.024 0.000 1.026 325 V CB 2.347 34.151 31.823 -0.031 0.000 1.080 325 V HN 0.592 nan 8.190 nan 0.000 0.444 326 G N 1.564 110.354 108.800 -0.016 0.000 2.684 326 G HA2 0.550 4.510 3.960 0.000 0.000 0.290 326 G HA3 0.550 4.510 3.960 0.000 0.000 0.290 326 G C -0.757 174.137 174.900 -0.010 0.000 1.425 326 G CA -0.434 44.657 45.100 -0.014 0.000 0.822 326 G HN 0.681 nan 8.290 nan 0.000 0.482 327 L N 0.085 121.303 121.223 -0.008 0.000 2.878 327 L HA 0.187 4.527 4.340 0.000 0.000 0.253 327 L C 1.800 178.671 176.870 0.002 0.000 1.135 327 L CA 0.279 55.117 54.840 -0.004 0.000 0.943 327 L CB 1.079 43.135 42.059 -0.006 0.000 1.307 327 L HN 0.451 nan 8.230 nan 0.000 0.545 328 V N -3.278 116.636 119.914 -0.000 0.000 3.319 328 V HA 0.474 4.594 4.120 0.000 0.000 0.317 328 V C 1.122 177.219 176.094 0.004 0.000 1.411 328 V CA 0.004 62.306 62.300 0.002 0.000 1.112 328 V CB -0.517 31.306 31.823 -0.001 0.000 1.031 328 V HN 0.125 nan 8.190 nan 0.000 0.448 329 G N 0.854 109.656 108.800 0.004 0.000 2.504 329 G HA2 0.328 4.288 3.960 0.000 0.000 0.291 329 G HA3 0.328 4.288 3.960 0.000 0.000 0.291 329 G C 0.985 175.891 174.900 0.010 0.000 1.345 329 G CA 0.257 45.359 45.100 0.004 0.000 1.090 329 G HN 0.631 nan 8.290 nan 0.000 0.591 330 G N -0.600 108.206 108.800 0.010 0.000 2.499 330 G HA2 0.182 4.142 3.960 0.000 0.000 0.213 330 G HA3 0.182 4.142 3.960 0.000 0.000 0.213 330 G C 1.965 176.883 174.900 0.030 0.000 1.230 330 G CA 1.635 46.743 45.100 0.014 0.000 0.813 330 G HN 0.983 nan 8.290 nan 0.000 0.542 331 A N 0.561 123.405 122.820 0.040 0.000 2.016 331 A HA 0.063 4.383 4.320 0.000 0.000 0.217 331 A C 2.536 180.170 177.584 0.084 0.000 1.162 331 A CA 2.354 54.434 52.037 0.072 0.000 0.662 331 A CB -0.992 18.059 19.000 0.084 0.000 0.812 331 A HN 0.570 nan 8.150 nan 0.000 0.450 332 T N -2.244 112.343 114.554 0.055 0.000 2.977 332 T HA -0.108 4.242 4.350 0.000 0.000 0.271 332 T C 1.659 176.392 174.700 0.055 0.000 1.105 332 T CA 1.770 63.899 62.100 0.049 0.000 1.116 332 T CB -0.156 68.728 68.868 0.027 0.000 0.878 332 T HN 0.526 nan 8.240 nan 0.000 0.509 333 K N 0.697 121.128 120.400 0.051 0.000 2.244 333 K HA 0.045 4.365 4.320 0.000 0.000 0.200 333 K C 2.414 179.045 176.600 0.052 0.000 1.052 333 K CA 1.108 57.421 56.287 0.043 0.000 0.980 333 K CB 0.067 32.583 32.500 0.028 0.000 0.838 333 K HN 0.490 nan 8.250 nan 0.000 0.481 334 T N -1.791 112.800 114.554 0.062 0.000 3.081 334 T HA -0.005 4.345 4.350 0.000 0.000 0.255 334 T C 0.590 175.331 174.700 0.069 0.000 1.113 334 T CA 0.023 62.154 62.100 0.051 0.000 1.082 334 T CB -0.119 68.769 68.868 0.032 0.000 0.939 334 T HN 0.059 nan 8.240 nan 0.000 0.506 335 H N 2.601 121.687 119.070 0.026 0.000 2.705 335 H HA 0.317 4.873 4.556 0.000 0.000 0.291 335 H C -2.016 173.326 175.328 0.024 0.000 1.085 335 H CA -2.447 53.620 56.048 0.031 0.000 1.357 335 H CB 1.790 31.581 29.762 0.048 0.000 1.419 335 H HN -0.005 nan 8.280 nan 0.000 0.462 336 P HA -0.201 nan 4.420 nan 0.000 0.216 336 P C 1.737 179.151 177.300 0.190 0.000 1.154 336 P CA 1.222 64.394 63.100 0.120 0.000 0.865 336 P CB 0.337 32.050 31.700 0.021 0.000 0.789 337 L N -1.919 119.535 121.223 0.386 0.000 2.217 337 L HA -0.080 4.260 4.340 0.000 0.000 0.211 337 L C 2.370 179.297 176.870 0.095 0.000 1.107 337 L CA 1.148 56.085 54.840 0.161 0.000 0.783 337 L CB -0.905 41.225 42.059 0.118 0.000 0.919 337 L HN -0.027 nan 8.230 nan 0.000 0.442 338 A N -0.386 122.471 122.820 0.062 0.000 1.898 338 A HA -0.249 4.071 4.320 0.000 0.000 0.216 338 A C 2.189 179.808 177.584 0.058 0.000 1.181 338 A CA 1.440 53.492 52.037 0.024 0.000 0.620 338 A CB -0.396 18.610 19.000 0.010 0.000 0.819 338 A HN 0.326 nan 8.150 nan 0.000 0.442 339 Q N -0.722 119.122 119.800 0.074 0.000 2.124 339 Q HA -0.133 4.207 4.340 0.000 0.000 0.202 339 Q C 1.829 177.856 176.000 0.044 0.000 0.977 339 Q CA 1.582 57.416 55.803 0.051 0.000 0.850 339 Q CB -0.434 28.333 28.738 0.049 0.000 0.901 339 Q HN 0.538 nan 8.270 nan 0.000 0.429 340 L N -0.487 120.767 121.223 0.052 0.000 2.056 340 L HA -0.068 4.272 4.340 0.000 0.000 0.207 340 L C 2.017 178.933 176.870 0.076 0.000 1.078 340 L CA 1.887 56.754 54.840 0.045 0.000 0.749 340 L CB -0.898 41.171 42.059 0.017 0.000 0.901 340 L HN 0.103 nan 8.230 nan 0.000 0.433 341 S N -0.263 115.507 115.700 0.117 0.000 2.370 341 S HA -0.179 4.291 4.470 0.000 0.000 0.226 341 S C 1.936 176.566 174.600 0.049 0.000 1.033 341 S CA 1.781 60.057 58.200 0.127 0.000 1.011 341 S CB -0.511 62.752 63.200 0.104 0.000 0.852 341 S HN 0.473 nan 8.310 nan 0.000 0.457 342 L N 0.663 121.905 121.223 0.031 0.000 2.131 342 L HA -0.054 4.286 4.340 0.000 0.000 0.210 342 L C 2.676 179.553 176.870 0.012 0.000 1.092 342 L CA 1.037 55.883 54.840 0.011 0.000 0.759 342 L CB -0.358 41.707 42.059 0.009 0.000 0.903 342 L HN 0.230 nan 8.230 nan 0.000 0.435 343 R N 0.506 121.020 120.500 0.023 0.000 2.090 343 R HA -0.080 4.260 4.340 0.000 0.000 0.228 343 R C 2.262 178.574 176.300 0.020 0.000 1.110 343 R CA 1.087 57.199 56.100 0.019 0.000 0.973 343 R CB -0.035 30.278 30.300 0.020 0.000 0.869 343 R HN 0.298 nan 8.270 nan 0.000 0.440 344 I N 0.501 121.090 120.570 0.032 0.000 2.353 344 I HA -0.250 3.920 4.170 0.000 0.000 0.248 344 I C 1.933 178.054 176.117 0.008 0.000 1.119 344 I CA 0.962 62.280 61.300 0.031 0.000 1.417 344 I CB -0.083 37.955 38.000 0.064 0.000 1.078 344 I HN 0.225 nan 8.210 nan 0.000 0.421 345 L N 0.389 121.611 121.223 -0.003 0.000 2.093 345 L HA -0.044 4.296 4.340 0.000 0.000 0.208 345 L C 1.835 178.695 176.870 -0.017 0.000 1.085 345 L CA 1.189 56.015 54.840 -0.025 0.000 0.755 345 L CB -0.697 41.338 42.059 -0.040 0.000 0.904 345 L HN 0.509 nan 8.230 nan 0.000 0.435 346 G N 0.015 108.811 108.800 -0.007 0.000 2.162 346 G HA2 -0.268 3.692 3.960 0.000 0.000 0.260 346 G HA3 -0.268 3.692 3.960 0.000 0.000 0.260 346 G C 0.427 175.322 174.900 -0.008 0.000 0.976 346 G CA 0.265 45.362 45.100 -0.004 0.000 0.655 346 G HN 0.306 nan 8.290 nan 0.000 0.533 347 V N -2.344 117.561 119.914 -0.014 0.000 2.715 347 V HA 0.672 4.792 4.120 0.000 0.000 0.299 347 V C 1.191 177.278 176.094 -0.012 0.000 1.054 347 V CA 0.212 62.501 62.300 -0.017 0.000 1.077 347 V CB 1.549 33.356 31.823 -0.028 0.000 0.972 347 V HN 0.049 nan 8.190 nan 0.000 0.484 348 K N 1.911 122.305 120.400 -0.011 0.000 2.367 348 K HA 0.210 4.530 4.320 0.000 0.000 0.195 348 K C 0.690 177.284 176.600 -0.010 0.000 1.060 348 K CA 0.908 57.190 56.287 -0.008 0.000 1.022 348 K CB 0.785 33.282 32.500 -0.006 0.000 0.894 348 K HN 1.018 nan 8.250 nan 0.000 0.540 349 T N -3.431 111.115 114.554 -0.014 0.000 2.906 349 T HA 0.583 4.933 4.350 0.000 0.000 0.295 349 T C 1.081 175.768 174.700 -0.021 0.000 1.075 349 T CA -0.383 61.707 62.100 -0.016 0.000 1.005 349 T CB 2.113 70.971 68.868 -0.017 0.000 1.136 349 T HN -0.086 nan 8.240 nan 0.000 0.498 350 A N 0.784 123.591 122.820 -0.022 0.000 1.908 350 A HA -0.104 4.216 4.320 0.000 0.000 0.218 350 A C 2.238 179.803 177.584 -0.033 0.000 1.181 350 A CA 1.241 53.263 52.037 -0.026 0.000 0.627 350 A CB -0.840 18.146 19.000 -0.024 0.000 0.818 350 A HN 0.758 nan 8.150 nan 0.000 0.445 351 Q N -0.514 119.268 119.800 -0.031 0.000 2.224 351 Q HA -0.031 4.309 4.340 0.000 0.000 0.203 351 Q C 2.316 178.294 176.000 -0.037 0.000 0.970 351 Q CA 1.391 57.173 55.803 -0.036 0.000 0.865 351 Q CB -0.790 27.929 28.738 -0.032 0.000 0.922 351 Q HN 0.678 nan 8.270 nan 0.000 0.445 352 A N 0.770 123.571 122.820 -0.032 0.000 1.930 352 A HA -0.138 4.182 4.320 0.000 0.000 0.217 352 A C 2.099 179.655 177.584 -0.046 0.000 1.175 352 A CA 1.197 53.214 52.037 -0.033 0.000 0.627 352 A CB -0.514 18.471 19.000 -0.025 0.000 0.815 352 A HN 0.332 nan 8.150 nan 0.000 0.443 353 L N -0.427 120.767 121.223 -0.049 0.000 2.109 353 L HA 0.055 4.395 4.340 0.000 0.000 0.207 353 L C 2.573 179.397 176.870 -0.076 0.000 1.086 353 L CA 1.968 56.770 54.840 -0.063 0.000 0.760 353 L CB -0.691 41.336 42.059 -0.052 0.000 0.910 353 L HN 0.309 nan 8.230 nan 0.000 0.437 354 A N -0.700 122.080 122.820 -0.065 0.000 1.933 354 A HA -0.202 4.118 4.320 0.000 0.000 0.218 354 A C 2.150 179.685 177.584 -0.082 0.000 1.175 354 A CA 1.709 53.703 52.037 -0.072 0.000 0.628 354 A CB -0.589 18.374 19.000 -0.063 0.000 0.814 354 A HN 0.602 nan 8.150 nan 0.000 0.444 355 E N -0.418 119.740 120.200 -0.071 0.000 2.204 355 E HA -0.114 4.236 4.350 0.000 0.000 0.195 355 E C 1.744 178.285 176.600 -0.098 0.000 0.990 355 E CA 1.013 57.372 56.400 -0.068 0.000 0.821 355 E CB -0.224 29.450 29.700 -0.044 0.000 0.750 355 E HN 0.721 nan 8.360 nan 0.000 0.477 356 I N 0.729 121.227 120.570 -0.121 0.000 2.406 356 I HA -0.149 4.021 4.170 0.000 0.000 0.249 356 I C 2.507 178.478 176.117 -0.243 0.000 1.122 356 I CA 0.515 61.703 61.300 -0.187 0.000 1.431 356 I CB -0.212 37.679 38.000 -0.181 0.000 1.087 356 I HN 0.051 nan 8.210 nan 0.000 0.424 357 A N 1.017 123.727 122.820 -0.183 0.000 1.902 357 A HA -0.165 4.155 4.320 0.000 0.000 0.217 357 A C 2.337 179.823 177.584 -0.163 0.000 1.181 357 A CA 2.051 53.983 52.037 -0.174 0.000 0.623 357 A CB -0.966 17.960 19.000 -0.123 0.000 0.818 357 A HN 0.360 nan 8.150 nan 0.000 0.443 358 V N -3.003 116.829 119.914 -0.137 0.000 3.041 358 V HA 0.164 4.284 4.120 0.000 0.000 0.260 358 V C 2.317 178.337 176.094 -0.123 0.000 1.105 358 V CA 1.399 63.633 62.300 -0.109 0.000 1.125 358 V CB -1.111 30.661 31.823 -0.085 0.000 0.730 358 V HN 0.471 nan 8.190 nan 0.000 0.479 359 A N 0.706 123.400 122.820 -0.209 0.000 1.898 359 A HA 0.037 4.357 4.320 0.000 0.000 0.214 359 A C 2.299 179.664 177.584 -0.364 0.000 1.183 359 A CA 1.687 53.503 52.037 -0.368 0.000 0.622 359 A CB -0.626 18.044 19.000 -0.550 0.000 0.824 359 A HN 0.389 nan 8.150 nan 0.000 0.444 360 V N 0.189 119.890 119.914 -0.356 0.000 2.287 360 V HA -0.199 3.921 4.120 0.000 0.000 0.248 360 V C 2.825 178.886 176.094 -0.055 0.000 1.053 360 V CA 2.061 64.195 62.300 -0.276 0.000 1.027 360 V CB -1.540 30.044 31.823 -0.397 0.000 0.646 360 V HN 0.579 nan 8.190 nan 0.000 0.447 361 G N -0.277 108.479 108.800 -0.074 0.000 2.422 361 G HA2 -0.237 3.723 3.960 0.000 0.000 0.218 361 G HA3 -0.237 3.723 3.960 0.000 0.000 0.218 361 G C 1.574 176.504 174.900 0.051 0.000 1.146 361 G CA 1.079 46.169 45.100 -0.017 0.000 0.769 361 G HN 0.426 nan 8.290 nan 0.000 0.547 362 L N 1.351 122.616 121.223 0.070 0.000 2.056 362 L HA 0.205 4.545 4.340 0.000 0.000 0.207 362 L C 3.014 180.070 176.870 0.309 0.000 1.078 362 L CA 2.042 56.988 54.840 0.177 0.000 0.749 362 L CB -0.766 41.393 42.059 0.166 0.000 0.901 362 L HN 0.225 nan 8.230 nan 0.000 0.433 363 A N -1.098 121.909 122.820 0.312 0.000 1.902 363 A HA -0.259 4.061 4.320 0.000 0.000 0.217 363 A C 2.269 179.981 177.584 0.214 0.000 1.181 363 A CA 1.662 53.912 52.037 0.356 0.000 0.623 363 A CB -0.668 18.586 19.000 0.422 0.000 0.818 363 A HN 0.554 nan 8.150 nan 0.000 0.443 364 Q N 0.405 120.304 119.800 0.165 0.000 2.084 364 Q HA -0.198 4.142 4.340 0.000 0.000 0.202 364 Q C 1.868 177.906 176.000 0.062 0.000 0.978 364 Q CA 2.234 58.096 55.803 0.098 0.000 0.844 364 Q CB -0.504 28.270 28.738 0.060 0.000 0.898 364 Q HN 0.732 nan 8.270 nan 0.000 0.426 365 N N -0.860 117.888 118.700 0.081 0.000 2.166 365 N HA -0.156 4.584 4.740 0.000 0.000 0.186 365 N C 1.425 176.941 175.510 0.010 0.000 1.019 365 N CA 1.152 54.221 53.050 0.032 0.000 0.856 365 N CB -0.287 38.260 38.487 0.100 0.000 0.993 365 N HN 0.341 nan 8.380 nan 0.000 0.426 366 L N 0.033 121.300 121.223 0.074 0.000 2.093 366 L HA 0.214 4.554 4.340 0.000 0.000 0.208 366 L C 2.052 178.836 176.870 -0.142 0.000 1.085 366 L CA 1.925 56.671 54.840 -0.156 0.000 0.755 366 L CB -1.227 40.806 42.059 -0.044 0.000 0.904 366 L HN 0.236 nan 8.230 nan 0.000 0.435 367 G N -0.852 107.924 108.800 -0.041 0.000 2.421 367 G HA2 -0.242 3.718 3.960 0.000 0.000 0.216 367 G HA3 -0.242 3.718 3.960 0.000 0.000 0.216 367 G C 1.589 176.472 174.900 -0.029 0.000 1.171 367 G CA 0.832 45.916 45.100 -0.027 0.000 0.775 367 G HN 0.626 nan 8.290 nan 0.000 0.543 368 A N 0.506 123.310 122.820 -0.027 0.000 1.898 368 A HA 0.080 4.400 4.320 0.000 0.000 0.216 368 A C 2.465 180.024 177.584 -0.041 0.000 1.181 368 A CA 1.742 53.766 52.037 -0.022 0.000 0.620 368 A CB -0.345 18.643 19.000 -0.021 0.000 0.819 368 A HN 0.374 nan 8.150 nan 0.000 0.442 369 M N -1.418 118.130 119.600 -0.086 0.000 2.159 369 M HA -0.124 4.356 4.480 0.000 0.000 0.263 369 M C 2.397 178.623 176.300 -0.123 0.000 1.063 369 M CA 1.603 56.841 55.300 -0.103 0.000 1.110 369 M CB -0.265 32.218 32.600 -0.196 0.000 1.374 369 M HN 0.464 nan 8.290 nan 0.000 0.411 370 R N 0.495 120.909 120.500 -0.145 0.000 2.073 370 R HA -0.134 4.206 4.340 0.000 0.000 0.234 370 R C 2.186 178.439 176.300 -0.077 0.000 1.134 370 R CA 1.673 57.696 56.100 -0.129 0.000 0.952 370 R CB -0.278 29.947 30.300 -0.125 0.000 0.850 370 R HN 0.357 nan 8.270 nan 0.000 0.433 371 A N 1.109 123.906 122.820 -0.038 0.000 1.865 371 A HA -0.184 4.136 4.320 0.000 0.000 0.217 371 A C 2.042 179.613 177.584 -0.021 0.000 1.191 371 A CA 1.208 53.240 52.037 -0.009 0.000 0.623 371 A CB -0.624 18.384 19.000 0.013 0.000 0.826 371 A HN 0.277 nan 8.150 nan 0.000 0.444 372 L N -0.481 120.730 121.223 -0.021 0.000 2.017 372 L HA -0.113 4.227 4.340 0.000 0.000 0.208 372 L C 2.863 179.707 176.870 -0.043 0.000 1.073 372 L CA 2.026 56.861 54.840 -0.009 0.000 0.745 372 L CB -0.967 41.103 42.059 0.018 0.000 0.894 372 L HN 0.405 nan 8.230 nan 0.000 0.432 373 A N -2.469 120.300 122.820 -0.085 0.000 2.209 373 A HA -0.047 4.273 4.320 0.000 0.000 0.212 373 A C 1.665 179.083 177.584 -0.276 0.000 1.158 373 A CA 1.164 53.110 52.037 -0.152 0.000 0.742 373 A CB -0.634 18.273 19.000 -0.155 0.000 0.790 373 A HN 0.374 nan 8.150 nan 0.000 0.472 374 T N 1.372 115.800 114.554 -0.210 0.000 3.284 374 T HA 0.294 4.644 4.350 0.000 0.000 0.249 374 T C 0.416 175.055 174.700 -0.100 0.000 0.944 374 T CA 0.476 62.427 62.100 -0.249 0.000 0.919 374 T CB -0.762 68.052 68.868 -0.090 0.000 1.089 374 T HN 0.872 nan 8.240 nan 0.000 0.576 375 E N -0.211 119.924 120.200 -0.108 0.000 2.450 375 E HA -0.194 4.156 4.350 0.000 0.000 0.244 375 E C 0.502 177.138 176.600 0.060 0.000 1.226 375 E CA 0.621 57.040 56.400 0.031 0.000 0.720 375 E CB -2.047 27.756 29.700 0.172 0.000 1.254 375 E HN 0.498 nan 8.360 nan 0.000 0.399 376 G N 1.530 110.349 108.800 0.032 0.000 2.369 376 G HA2 0.270 4.230 3.960 0.000 0.000 0.287 376 G HA3 0.270 4.230 3.960 0.000 0.000 0.287 376 G C 0.664 175.587 174.900 0.040 0.000 1.009 376 G CA -0.024 45.100 45.100 0.040 0.000 1.393 376 G HN 0.396 nan 8.290 nan 0.000 0.432 377 I N 0.000 120.597 120.570 0.046 0.000 2.984 377 I HA 0.000 4.170 4.170 0.000 0.000 0.288 377 I CA 0.000 61.324 61.300 0.039 0.000 1.566 377 I CB 0.000 38.024 38.000 0.040 0.000 1.214 377 I HN 0.000 nan 8.210 nan 0.000 0.494