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_A 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 T 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 0.000 176.280 176.300 -0.034 0.000 2.045 4 D CA 0.000 53.995 54.000 -0.009 0.000 0.868 4 D CB 0.000 40.798 40.800 -0.003 0.000 0.688 5 S N 2.430 118.113 115.700 -0.028 0.000 2.548 5 S HA 0.162 4.632 4.470 0.000 0.000 0.215 5 S C 0.811 175.364 174.600 -0.077 0.000 0.976 5 S CA -0.280 57.891 58.200 -0.049 0.000 0.908 5 S CB 0.029 63.235 63.200 0.011 0.000 0.781 5 S HN 0.374 nan 8.310 nan 0.000 0.519 6 R N 1.485 121.951 120.500 -0.056 0.000 2.370 6 R HA 0.365 4.705 4.340 0.000 0.000 0.309 6 R C -0.817 175.427 176.300 -0.094 0.000 1.059 6 R CA 0.176 56.246 56.100 -0.051 0.000 0.981 6 R CB 0.221 30.511 30.300 -0.017 0.000 0.972 6 R HN 0.357 nan 8.270 nan 0.000 0.437 7 L N 5.645 126.799 121.223 -0.115 0.000 2.408 7 L HA 0.346 4.686 4.340 0.000 0.000 0.257 7 L C -2.268 174.628 176.870 0.043 0.000 1.053 7 L CA -2.273 52.478 54.840 -0.148 0.000 0.922 7 L CB 1.380 43.119 42.059 -0.534 0.000 1.261 7 L HN 0.306 nan 8.230 nan 0.000 0.458 8 P HA 0.119 nan 4.420 nan 0.000 0.268 8 P C 0.656 178.047 177.300 0.150 0.000 1.204 8 P CA 0.121 63.280 63.100 0.098 0.000 0.768 8 P CB 1.119 32.865 31.700 0.078 0.000 0.842 9 A N 2.045 124.943 122.820 0.130 0.000 2.860 9 A HA -0.277 4.043 4.320 0.000 0.000 0.267 9 A C 1.068 178.764 177.584 0.186 0.000 1.421 9 A CA 0.908 53.020 52.037 0.125 0.000 0.831 9 A CB -2.825 16.234 19.000 0.097 0.000 1.041 9 A HN 0.506 nan 8.150 nan 0.000 0.623 10 F N 1.191 121.168 119.950 0.044 0.000 2.206 10 F HA -0.083 4.444 4.527 0.000 0.000 0.298 10 F C 2.319 178.141 175.800 0.037 0.000 1.090 10 F CA 1.794 59.821 58.000 0.045 0.000 1.323 10 F CB -0.146 38.864 39.000 0.016 0.000 1.028 10 F HN 0.560 nan 8.300 nan 0.000 0.492 11 R N -0.236 120.318 120.500 0.090 0.000 2.357 11 R HA -0.029 4.311 4.340 0.000 0.000 0.202 11 R C 0.681 176.951 176.300 -0.049 0.000 1.047 11 R CA 1.174 57.268 56.100 -0.009 0.000 1.034 11 R CB -0.720 29.604 30.300 0.041 0.000 0.875 11 R HN 0.312 nan 8.270 nan 0.000 0.473 12 N N 0.280 118.957 118.700 -0.038 0.000 2.294 12 N HA 0.076 4.816 4.740 0.000 0.000 0.186 12 N C 0.029 175.506 175.510 -0.055 0.000 1.107 12 N CA -0.086 52.943 53.050 -0.034 0.000 0.884 12 N CB 0.261 38.746 38.487 -0.003 0.000 1.030 12 N HN 0.030 nan 8.380 nan 0.000 0.482 13 L N 1.903 123.073 121.223 -0.089 0.000 2.482 13 L HA 0.044 4.384 4.340 0.000 0.000 0.273 13 L C 1.176 177.968 176.870 -0.129 0.000 1.228 13 L CA 0.041 54.823 54.840 -0.097 0.000 0.827 13 L CB 0.294 42.276 42.059 -0.128 0.000 1.099 13 L HN 0.111 nan 8.230 nan 0.000 0.494 14 S N 1.921 117.570 115.700 -0.085 0.000 2.614 14 S HA 0.349 4.819 4.470 0.000 0.000 0.265 14 S C -1.894 172.647 174.600 -0.099 0.000 1.303 14 S CA -0.986 57.168 58.200 -0.077 0.000 1.000 14 S CB 0.658 63.832 63.200 -0.043 0.000 0.935 14 S HN 0.502 nan 8.310 nan 0.000 0.551 15 P HA -0.099 nan 4.420 nan 0.000 0.216 15 P C 1.593 178.873 177.300 -0.034 0.000 1.153 15 P CA 2.042 65.101 63.100 -0.068 0.000 0.858 15 P CB -0.240 31.437 31.700 -0.038 0.000 0.789 16 A N -0.255 122.553 122.820 -0.020 0.000 1.933 16 A HA -0.112 4.208 4.320 0.000 0.000 0.218 16 A C 2.278 179.872 177.584 0.018 0.000 1.175 16 A CA 2.085 54.123 52.037 0.001 0.000 0.628 16 A CB -1.532 17.467 19.000 -0.001 0.000 0.814 16 A HN 0.210 nan 8.150 nan 0.000 0.444 17 A N -0.650 122.173 122.820 0.005 0.000 2.016 17 A HA -0.014 4.306 4.320 0.000 0.000 0.217 17 A C 2.203 179.843 177.584 0.094 0.000 1.162 17 A CA 1.097 53.154 52.037 0.033 0.000 0.662 17 A CB -0.328 18.679 19.000 0.011 0.000 0.812 17 A HN 0.528 nan 8.150 nan 0.000 0.450 18 R N -1.118 119.385 120.500 0.005 0.000 2.075 18 R HA -0.056 4.284 4.340 0.000 0.000 0.232 18 R C 2.067 178.525 176.300 0.263 0.000 1.126 18 R CA 1.338 57.450 56.100 0.021 0.000 0.963 18 R CB -0.482 29.571 30.300 -0.413 0.000 0.858 18 R HN 0.462 nan 8.270 nan 0.000 0.435 19 L N 1.401 122.710 121.223 0.143 0.000 2.017 19 L HA -0.161 4.179 4.340 0.000 0.000 0.208 19 L C 1.517 178.477 176.870 0.149 0.000 1.073 19 L CA 1.967 56.890 54.840 0.139 0.000 0.745 19 L CB -0.645 41.456 42.059 0.070 0.000 0.894 19 L HN 0.056 nan 8.230 nan 0.000 0.432 20 D N -1.888 118.591 120.400 0.131 0.000 2.092 20 D HA -0.277 4.363 4.640 0.000 0.000 0.193 20 D C 2.199 178.607 176.300 0.181 0.000 0.994 20 D CA 1.373 55.444 54.000 0.118 0.000 0.828 20 D CB -0.020 40.826 40.800 0.077 0.000 0.963 20 D HN 0.470 nan 8.370 nan 0.000 0.450 21 H N 0.372 119.517 119.070 0.126 0.000 2.251 21 H HA -0.116 4.440 4.556 0.000 0.000 0.294 21 H C 2.131 177.531 175.328 0.120 0.000 1.078 21 H CA 1.241 57.377 56.048 0.146 0.000 1.246 21 H CB -0.563 29.355 29.762 0.259 0.000 1.358 21 H HN 0.168 nan 8.280 nan 0.000 0.488 22 I N 0.497 121.231 120.570 0.273 0.000 2.315 22 I HA -0.195 3.975 4.170 0.000 0.000 0.251 22 I C 2.726 178.913 176.117 0.118 0.000 1.125 22 I CA 1.282 62.657 61.300 0.124 0.000 1.392 22 I CB -1.776 36.309 38.000 0.141 0.000 1.065 22 I HN 0.339 nan 8.210 nan 0.000 0.424 23 G N -0.078 108.803 108.800 0.135 0.000 2.433 23 G HA2 -0.282 3.678 3.960 0.000 0.000 0.216 23 G HA3 -0.282 3.678 3.960 0.000 0.000 0.216 23 G C 1.624 176.580 174.900 0.093 0.000 1.186 23 G CA 0.516 45.675 45.100 0.098 0.000 0.779 23 G HN 0.311 nan 8.290 nan 0.000 0.543 24 Q N -0.343 119.527 119.800 0.116 0.000 2.084 24 Q HA 0.121 4.461 4.340 0.000 0.000 0.202 24 Q C 2.534 178.593 176.000 0.099 0.000 0.978 24 Q CA 0.724 56.585 55.803 0.098 0.000 0.844 24 Q CB -0.372 28.422 28.738 0.094 0.000 0.898 24 Q HN 0.476 nan 8.270 nan 0.000 0.426 25 L N -0.395 120.907 121.223 0.132 0.000 1.955 25 L HA -0.226 4.114 4.340 0.000 0.000 0.213 25 L C 1.775 178.674 176.870 0.048 0.000 1.072 25 L CA 1.440 56.333 54.840 0.088 0.000 0.755 25 L CB -0.193 41.894 42.059 0.047 0.000 0.888 25 L HN 0.305 nan 8.230 nan 0.000 0.432 26 L N -0.705 120.543 121.223 0.042 0.000 2.478 26 L HA 0.087 4.427 4.340 0.000 0.000 0.223 26 L C 1.178 178.069 176.870 0.035 0.000 1.140 26 L CA 0.540 55.398 54.840 0.031 0.000 0.842 26 L CB -0.435 41.641 42.059 0.028 0.000 0.953 26 L HN 0.565 nan 8.230 nan 0.000 0.452 27 G N 1.055 109.881 108.800 0.044 0.000 2.256 27 G HA2 -0.254 3.706 3.960 0.000 0.000 0.272 27 G HA3 -0.254 3.706 3.960 0.000 0.000 0.272 27 G C 0.048 174.972 174.900 0.039 0.000 1.076 27 G CA -0.263 44.861 45.100 0.041 0.000 0.882 27 G HN 0.203 nan 8.290 nan 0.000 0.497 28 L N 0.759 122.007 121.223 0.043 0.000 2.436 28 L HA 0.479 4.819 4.340 0.000 0.000 0.265 28 L C 1.529 178.426 176.870 0.044 0.000 1.168 28 L CA -0.093 54.769 54.840 0.036 0.000 0.815 28 L CB 0.878 42.957 42.059 0.034 0.000 1.109 28 L HN 0.503 nan 8.230 nan 0.000 0.462 29 S N -0.260 115.460 115.700 0.034 0.000 2.624 29 S HA 0.048 4.518 4.470 0.000 0.000 0.263 29 S C 1.115 175.747 174.600 0.053 0.000 1.287 29 S CA -0.460 57.774 58.200 0.058 0.000 0.990 29 S CB 0.728 63.949 63.200 0.035 0.000 0.950 29 S HN 0.822 nan 8.310 nan 0.000 0.561 30 H N 0.304 119.380 119.070 0.009 0.000 2.423 30 H HA -0.065 4.491 4.556 0.000 0.000 0.297 30 H C 0.736 176.065 175.328 0.002 0.000 1.075 30 H CA 1.582 57.634 56.048 0.006 0.000 1.342 30 H CB -0.763 29.002 29.762 0.005 0.000 1.395 30 H HN 0.666 nan 8.280 nan 0.000 0.530 31 D N 1.196 121.117 120.400 -0.799 0.000 2.221 31 D HA -0.121 4.519 4.640 0.000 0.000 0.204 31 D C 1.312 177.463 176.300 -0.249 0.000 0.982 31 D CA 1.129 54.778 54.000 -0.585 0.000 0.857 31 D CB 0.043 40.624 40.800 -0.365 0.000 0.934 31 D HN 0.525 nan 8.370 nan 0.000 0.475 32 D N 0.072 120.380 120.400 -0.153 0.000 2.149 32 D HA -0.050 4.590 4.640 0.000 0.000 0.206 32 D C 2.390 178.649 176.300 -0.067 0.000 0.967 32 D CA 0.238 54.190 54.000 -0.082 0.000 0.848 32 D CB -0.267 40.509 40.800 -0.041 0.000 0.998 32 D HN 0.040 nan 8.370 nan 0.000 0.474 33 V N 1.300 121.189 119.914 -0.042 0.000 2.392 33 V HA -0.208 3.912 4.120 0.000 0.000 0.249 33 V C 2.434 178.510 176.094 -0.030 0.000 1.059 33 V CA 1.579 63.870 62.300 -0.016 0.000 1.051 33 V CB -0.474 31.366 31.823 0.029 0.000 0.658 33 V HN 0.126 nan 8.190 nan 0.000 0.455 34 S N -0.126 115.546 115.700 -0.046 0.000 2.399 34 S HA -0.084 4.386 4.470 0.000 0.000 0.231 34 S C 1.841 176.409 174.600 -0.053 0.000 1.022 34 S CA 1.219 59.396 58.200 -0.038 0.000 0.983 34 S CB -0.322 62.846 63.200 -0.052 0.000 0.803 34 S HN 0.501 nan 8.310 nan 0.000 0.480 35 L N 0.503 121.682 121.223 -0.073 0.000 2.191 35 L HA -0.077 4.263 4.340 0.000 0.000 0.212 35 L C 1.936 178.751 176.870 -0.091 0.000 1.103 35 L CA 1.010 55.806 54.840 -0.074 0.000 0.769 35 L CB -0.369 41.646 42.059 -0.074 0.000 0.908 35 L HN 0.319 nan 8.230 nan 0.000 0.438 36 L N -1.322 119.837 121.223 -0.106 0.000 2.316 36 L HA 0.116 4.456 4.340 0.000 0.000 0.207 36 L C 2.547 179.375 176.870 -0.070 0.000 1.070 36 L CA 0.500 55.260 54.840 -0.133 0.000 0.820 36 L CB -0.380 41.572 42.059 -0.177 0.000 0.992 36 L HN 0.079 nan 8.230 nan 0.000 0.466 37 A N -0.450 122.345 122.820 -0.042 0.000 2.209 37 A HA 0.010 4.330 4.320 0.000 0.000 0.212 37 A C 0.502 178.075 177.584 -0.019 0.000 1.158 37 A CA 0.660 52.685 52.037 -0.020 0.000 0.742 37 A CB -0.379 18.619 19.000 -0.003 0.000 0.790 37 A HN 0.388 nan 8.150 nan 0.000 0.472 38 N N -0.634 118.050 118.700 -0.026 0.000 2.310 38 N HA 0.478 5.218 4.740 0.000 0.000 0.292 38 N C -0.636 174.859 175.510 -0.025 0.000 1.049 38 N CA -0.046 52.991 53.050 -0.021 0.000 0.849 38 N CB 2.010 40.487 38.487 -0.016 0.000 1.532 38 N HN 0.185 nan 8.380 nan 0.000 0.479 39 A N 0.249 123.056 122.820 -0.021 0.000 2.406 39 A HA 0.539 4.859 4.320 0.000 0.000 0.243 39 A C 1.228 178.801 177.584 -0.019 0.000 1.082 39 A CA 0.861 52.886 52.037 -0.020 0.000 0.786 39 A CB -0.245 18.742 19.000 -0.021 0.000 1.029 39 A HN 1.024 nan 8.150 nan 0.000 0.495 40 G N -0.823 107.967 108.800 -0.016 0.000 2.130 40 G HA2 0.116 4.076 3.960 0.000 0.000 0.216 40 G HA3 0.116 4.076 3.960 0.000 0.000 0.216 40 G C 0.953 175.835 174.900 -0.031 0.000 0.999 40 G CA 0.895 45.983 45.100 -0.020 0.000 0.686 40 G HN 1.932 nan 8.290 nan 0.000 0.515 41 A N -0.924 121.880 122.820 -0.027 0.000 1.940 41 A HA 0.277 4.597 4.320 0.000 0.000 0.219 41 A C 1.455 178.985 177.584 -0.089 0.000 1.176 41 A CA 1.767 53.780 52.037 -0.040 0.000 0.631 41 A CB -0.011 18.986 19.000 -0.006 0.000 0.814 41 A HN 1.415 nan 8.150 nan 0.000 0.446 42 L N 2.179 123.328 121.223 -0.123 0.000 2.259 42 L HA 0.364 4.704 4.340 0.000 0.000 0.288 42 L C -2.239 174.564 176.870 -0.112 0.000 1.051 42 L CA -2.381 52.329 54.840 -0.216 0.000 0.824 42 L CB 0.846 42.711 42.059 -0.324 0.000 1.206 42 L HN 0.067 nan 8.230 nan 0.000 0.429 43 P HA 0.027 nan 4.420 nan 0.000 0.271 43 P C 0.807 178.080 177.300 -0.044 0.000 1.216 43 P CA -0.419 62.648 63.100 -0.055 0.000 0.771 43 P CB 0.862 32.534 31.700 -0.048 0.000 0.864 44 M N 1.996 121.580 119.600 -0.026 0.000 2.195 44 M HA -0.172 4.308 4.480 0.000 0.000 0.260 44 M C 1.709 178.000 176.300 -0.014 0.000 1.066 44 M CA 1.864 57.155 55.300 -0.015 0.000 1.089 44 M CB -1.319 31.278 32.600 -0.006 0.000 1.377 44 M HN 0.545 nan 8.290 nan 0.000 0.411 45 D N -0.324 120.066 120.400 -0.017 0.000 2.218 45 D HA -0.175 4.465 4.640 0.000 0.000 0.204 45 D C 1.732 178.022 176.300 -0.017 0.000 0.976 45 D CA 1.044 55.036 54.000 -0.014 0.000 0.853 45 D CB -0.114 40.678 40.800 -0.013 0.000 0.939 45 D HN 0.272 nan 8.370 nan 0.000 0.481 46 I N 1.698 122.252 120.570 -0.028 0.000 2.400 46 I HA -0.040 4.130 4.170 0.000 0.000 0.248 46 I C 2.872 178.975 176.117 -0.024 0.000 1.109 46 I CA 0.711 61.992 61.300 -0.031 0.000 1.425 46 I CB -1.309 36.657 38.000 -0.056 0.000 1.094 46 I HN 0.018 nan 8.210 nan 0.000 0.425 47 A N 0.789 123.592 122.820 -0.027 0.000 2.019 47 A HA -0.229 4.091 4.320 0.000 0.000 0.219 47 A C 1.972 179.561 177.584 0.007 0.000 1.164 47 A CA 1.887 53.920 52.037 -0.007 0.000 0.644 47 A CB -0.864 18.134 19.000 -0.003 0.000 0.805 47 A HN 0.447 nan 8.150 nan 0.000 0.449 48 N N -0.472 118.230 118.700 0.002 0.000 2.461 48 N HA 0.071 4.811 4.740 0.000 0.000 0.188 48 N C 1.258 176.770 175.510 0.004 0.000 1.134 48 N CA 1.011 54.065 53.050 0.006 0.000 0.878 48 N CB -0.090 38.399 38.487 0.003 0.000 0.972 48 N HN 0.307 nan 8.380 nan 0.000 0.456 49 G N -0.960 107.842 108.800 0.003 0.000 2.850 49 G HA2 0.081 4.041 3.960 0.000 0.000 0.211 49 G HA3 0.081 4.041 3.960 0.000 0.000 0.211 49 G C 1.328 176.232 174.900 0.006 0.000 1.124 49 G CA -0.068 45.034 45.100 0.003 0.000 0.769 49 G HN 0.202 nan 8.290 nan 0.000 0.535 50 M N 0.289 119.896 119.600 0.012 0.000 2.115 50 M HA 0.200 4.680 4.480 0.000 0.000 0.261 50 M C 0.710 177.018 176.300 0.013 0.000 1.079 50 M CA 1.081 56.392 55.300 0.018 0.000 1.143 50 M CB -0.108 32.514 32.600 0.036 0.000 1.332 50 M HN -0.023 nan 8.290 nan 0.000 0.421 51 I N -0.406 120.173 120.570 0.016 0.000 3.204 51 I HA 0.176 4.346 4.170 0.000 0.000 0.313 51 I C 1.023 177.144 176.117 0.007 0.000 1.082 51 I CA -0.094 61.213 61.300 0.011 0.000 1.033 51 I CB 0.919 38.931 38.000 0.021 0.000 1.304 51 I HN 0.048 nan 8.210 nan 0.000 0.536 52 E N 1.148 121.350 120.200 0.004 0.000 2.057 52 E HA 0.042 4.392 4.350 0.000 0.000 0.191 52 E C 0.076 176.680 176.600 0.006 0.000 0.959 52 E CA 0.955 57.356 56.400 0.003 0.000 0.828 52 E CB 0.066 29.765 29.700 -0.002 0.000 0.800 52 E HN 0.397 nan 8.360 nan 0.000 0.460 53 N N 0.884 119.589 118.700 0.008 0.000 3.170 53 N HA 0.156 4.896 4.740 0.000 0.000 0.305 53 N C -1.147 174.374 175.510 0.017 0.000 1.499 53 N CA -0.087 52.969 53.050 0.011 0.000 1.110 53 N CB 0.800 39.292 38.487 0.009 0.000 1.390 53 N HN -0.099 nan 8.380 nan 0.000 0.508 54 V N 1.511 121.436 119.914 0.019 0.000 2.843 54 V HA 0.138 4.258 4.120 0.000 0.000 0.305 54 V C 1.629 177.739 176.094 0.026 0.000 1.065 54 V CA 0.083 62.399 62.300 0.026 0.000 1.116 54 V CB 0.816 32.654 31.823 0.025 0.000 0.968 54 V HN 0.483 nan 8.190 nan 0.000 0.487 55 I N 0.211 120.801 120.570 0.034 0.000 4.263 55 I HA 0.738 4.908 4.170 0.000 0.000 0.335 55 I C 0.376 176.515 176.117 0.037 0.000 1.389 55 I CA 0.246 61.565 61.300 0.031 0.000 1.156 55 I CB 0.647 38.666 38.000 0.032 0.000 1.510 55 I HN 0.785 nan 8.210 nan 0.000 0.566 56 G N 1.602 110.428 108.800 0.044 0.000 2.356 56 G HA2 0.327 4.287 3.960 0.000 0.000 0.266 56 G HA3 0.327 4.287 3.960 0.000 0.000 0.266 56 G C -0.904 174.037 174.900 0.068 0.000 1.312 56 G CA 0.044 45.172 45.100 0.046 0.000 0.922 56 G HN 0.377 nan 8.290 nan 0.000 0.480 57 T N -2.256 112.343 114.554 0.076 0.000 2.906 57 T HA 0.736 5.086 4.350 0.000 0.000 0.295 57 T C -1.365 173.429 174.700 0.157 0.000 1.075 57 T CA -0.606 61.562 62.100 0.113 0.000 1.005 57 T CB 2.440 71.354 68.868 0.078 0.000 1.136 57 T HN 1.220 nan 8.240 nan 0.000 0.498 58 F N 0.747 120.725 119.950 0.045 0.000 2.482 58 F HA 0.606 5.133 4.527 0.000 0.000 0.331 58 F C -0.136 175.691 175.800 0.045 0.000 1.115 58 F CA -0.669 57.355 58.000 0.040 0.000 0.955 58 F CB 1.625 40.651 39.000 0.042 0.000 1.136 58 F HN 0.720 nan 8.300 nan 0.000 0.452 59 E N 5.619 125.667 120.200 -0.254 0.000 2.207 59 E HA 0.611 4.961 4.350 0.000 0.000 0.270 59 E C -1.276 175.297 176.600 -0.045 0.000 0.927 59 E CA -0.787 55.570 56.400 -0.070 0.000 0.799 59 E CB 2.552 32.191 29.700 -0.102 0.000 1.172 59 E HN 0.540 nan 8.360 nan 0.000 0.404 60 L N 2.547 123.816 121.223 0.076 0.000 2.371 60 L HA 0.501 4.841 4.340 0.000 0.000 0.262 60 L C -2.331 174.580 176.870 0.068 0.000 1.006 60 L CA -2.244 52.646 54.840 0.083 0.000 0.818 60 L CB 2.061 44.187 42.059 0.112 0.000 1.354 60 L HN 0.359 nan 8.230 nan 0.000 0.415 61 P HA 0.023 nan 4.420 nan 0.000 0.268 61 P C -1.615 175.753 177.300 0.113 0.000 1.205 61 P CA 0.219 63.359 63.100 0.068 0.000 0.771 61 P CB 0.156 31.878 31.700 0.036 0.000 0.858 62 Y N 2.381 122.680 120.300 -0.002 0.000 2.464 62 Y HA 0.577 5.127 4.550 0.000 0.000 0.326 62 Y C -0.259 175.648 175.900 0.013 0.000 0.969 62 Y CA -0.663 57.436 58.100 -0.001 0.000 1.270 62 Y CB 0.401 38.862 38.460 0.002 0.000 1.103 62 Y HN 0.504 nan 8.280 nan 0.000 0.491 63 A N 4.048 126.849 122.820 -0.030 0.000 2.326 63 A HA 0.886 5.206 4.320 0.000 0.000 0.303 63 A C -1.427 176.132 177.584 -0.041 0.000 1.164 63 A CA -0.742 51.316 52.037 0.034 0.000 0.929 63 A CB 1.323 20.336 19.000 0.022 0.000 1.363 63 A HN 0.493 nan 8.150 nan 0.000 0.498 64 V N 0.218 120.178 119.914 0.077 0.000 2.567 64 V HA 0.555 4.675 4.120 0.000 0.000 0.298 64 V C 0.293 176.438 176.094 0.085 0.000 1.047 64 V CA -0.333 62.001 62.300 0.056 0.000 0.880 64 V CB 1.044 32.949 31.823 0.137 0.000 1.009 64 V HN 1.298 nan 8.190 nan 0.000 0.429 65 A N 4.130 126.969 122.820 0.033 0.000 2.351 65 A HA 0.816 5.136 4.320 0.000 0.000 0.257 65 A C 0.547 178.209 177.584 0.131 0.000 1.087 65 A CA 0.222 52.329 52.037 0.117 0.000 0.798 65 A CB 0.625 19.713 19.000 0.147 0.000 1.033 65 A HN 1.180 nan 8.150 nan 0.000 0.488 66 S N 0.864 116.659 115.700 0.159 0.000 2.689 66 S HA 0.650 5.120 4.470 0.000 0.000 0.306 66 S C 0.329 175.002 174.600 0.122 0.000 1.104 66 S CA -0.313 57.931 58.200 0.074 0.000 0.973 66 S CB 1.325 64.499 63.200 -0.043 0.000 1.121 66 S HN 0.877 nan 8.310 nan 0.000 0.523 67 N N -1.444 117.287 118.700 0.052 0.000 2.967 67 N HA -0.165 4.575 4.740 0.000 0.000 0.218 67 N C -0.704 174.823 175.510 0.027 0.000 0.870 67 N CA 1.125 54.181 53.050 0.010 0.000 1.030 67 N CB -1.699 36.764 38.487 -0.040 0.000 1.027 67 N HN 0.639 nan 8.380 nan 0.000 0.603 68 F N 1.932 121.917 119.950 0.059 0.000 2.607 68 F HA 0.090 4.617 4.527 0.000 0.000 0.374 68 F C 1.253 177.111 175.800 0.096 0.000 1.104 68 F CA 0.864 58.928 58.000 0.107 0.000 1.296 68 F CB 0.423 39.428 39.000 0.009 0.000 1.085 68 F HN 0.000 nan 8.300 nan 0.000 0.584 69 Q N 4.453 124.450 119.800 0.328 0.000 2.292 69 Q HA 0.455 4.795 4.340 0.000 0.000 0.270 69 Q C -1.759 174.408 176.000 0.279 0.000 1.024 69 Q CA -0.633 55.300 55.803 0.217 0.000 0.768 69 Q CB 1.123 29.927 28.738 0.110 0.000 1.250 69 Q HN 0.463 nan 8.270 nan 0.000 0.447 70 I N 4.472 125.152 120.570 0.182 0.000 2.382 70 I HA 0.278 4.448 4.170 0.000 0.000 0.285 70 I C -0.313 175.860 176.117 0.093 0.000 1.007 70 I CA -0.524 60.868 61.300 0.153 0.000 1.142 70 I CB 1.118 39.171 38.000 0.088 0.000 1.289 70 I HN 0.844 nan 8.210 nan 0.000 0.453 71 N N 5.286 124.040 118.700 0.089 0.000 2.735 71 N HA -0.212 4.528 4.740 0.000 0.000 0.248 71 N C 1.162 176.695 175.510 0.039 0.000 1.083 71 N CA 1.368 54.450 53.050 0.052 0.000 0.703 71 N CB -0.886 37.623 38.487 0.037 0.000 1.005 71 N HN 1.128 nan 8.380 nan 0.000 0.550 72 G N -1.906 106.920 108.800 0.042 0.000 2.336 72 G HA2 -0.344 3.616 3.960 0.000 0.000 0.233 72 G HA3 -0.344 3.616 3.960 0.000 0.000 0.233 72 G C 0.077 174.996 174.900 0.032 0.000 1.053 72 G CA 0.354 45.472 45.100 0.029 0.000 0.625 72 G HN 0.388 nan 8.290 nan 0.000 0.511 73 R N 1.754 122.276 120.500 0.037 0.000 2.410 73 R HA 0.530 4.870 4.340 0.000 0.000 0.288 73 R C -0.642 175.686 176.300 0.047 0.000 1.051 73 R CA -0.589 55.531 56.100 0.033 0.000 1.021 73 R CB 0.502 30.817 30.300 0.025 0.000 1.032 73 R HN 0.293 nan 8.270 nan 0.000 0.481 74 D N 0.427 120.850 120.400 0.039 0.000 2.283 74 D HA 0.381 5.021 4.640 0.000 0.000 0.248 74 D C -0.507 175.818 176.300 0.042 0.000 1.072 74 D CA -0.220 53.810 54.000 0.050 0.000 0.929 74 D CB 1.477 42.295 40.800 0.030 0.000 1.182 74 D HN 0.082 nan 8.370 nan 0.000 0.433 75 V N 1.935 121.883 119.914 0.057 0.000 2.969 75 V HA 0.358 4.478 4.120 0.000 0.000 0.304 75 V C -1.584 174.520 176.094 0.017 0.000 1.192 75 V CA -0.734 61.580 62.300 0.022 0.000 0.962 75 V CB 1.782 33.606 31.823 0.002 0.000 1.045 75 V HN 0.406 nan 8.190 nan 0.000 0.428 76 L N 6.070 127.279 121.223 -0.022 0.000 2.275 76 L HA 0.614 4.954 4.340 0.000 0.000 0.288 76 L C -0.584 176.237 176.870 -0.082 0.000 1.046 76 L CA -0.745 54.070 54.840 -0.041 0.000 0.805 76 L CB 1.732 43.763 42.059 -0.047 0.000 1.193 76 L HN 0.457 nan 8.230 nan 0.000 0.426 77 V N 4.993 124.830 119.914 -0.129 0.000 2.347 77 V HA 0.331 4.451 4.120 0.000 0.000 0.280 77 V C -2.044 173.934 176.094 -0.195 0.000 1.021 77 V CA -1.658 60.510 62.300 -0.220 0.000 0.847 77 V CB 1.226 32.790 31.823 -0.432 0.000 0.990 77 V HN 0.591 nan 8.190 nan 0.000 0.444 78 P HA 0.458 nan 4.420 nan 0.000 0.286 78 P C -1.158 175.908 177.300 -0.389 0.000 1.269 78 P CA -0.246 62.638 63.100 -0.360 0.000 0.787 78 P CB 1.438 32.904 31.700 -0.391 0.000 0.920 79 L N 3.170 124.149 121.223 -0.407 0.000 2.410 79 L HA 0.465 4.805 4.340 0.000 0.000 0.270 79 L C -0.375 176.324 176.870 -0.286 0.000 0.983 79 L CA -1.127 53.539 54.840 -0.290 0.000 0.822 79 L CB 2.617 44.566 42.059 -0.182 0.000 1.285 79 L HN 0.051 nan 8.230 nan 0.000 0.409 80 V N 4.135 123.914 119.914 -0.225 0.000 2.313 80 V HA 0.642 4.762 4.120 0.000 0.000 0.278 80 V C -0.252 175.770 176.094 -0.121 0.000 1.017 80 V CA -0.410 61.803 62.300 -0.145 0.000 0.823 80 V CB 1.868 33.629 31.823 -0.104 0.000 1.010 80 V HN 0.522 nan 8.190 nan 0.000 0.443 81 V N 4.225 124.089 119.914 -0.084 0.000 3.226 81 V HA 0.598 4.718 4.120 0.000 0.000 0.304 81 V C -0.034 176.036 176.094 -0.039 0.000 1.336 81 V CA -0.301 61.950 62.300 -0.082 0.000 1.066 81 V CB 2.735 34.507 31.823 -0.085 0.000 1.087 81 V HN 0.834 nan 8.190 nan 0.000 0.451 82 E N 1.207 121.387 120.200 -0.033 0.000 2.539 82 E HA 0.179 4.529 4.350 0.000 0.000 0.215 82 E C 0.233 176.830 176.600 -0.005 0.000 0.965 82 E CA 0.012 56.409 56.400 -0.004 0.000 1.019 82 E CB 0.513 30.222 29.700 0.014 0.000 1.059 82 E HN 0.719 nan 8.360 nan 0.000 0.496 83 E N 2.987 123.178 120.200 -0.015 0.000 2.174 83 E HA 0.276 4.626 4.350 0.000 0.000 0.282 83 E C -2.085 174.514 176.600 -0.001 0.000 0.992 83 E CA -2.429 53.967 56.400 -0.007 0.000 0.803 83 E CB 1.214 30.908 29.700 -0.011 0.000 1.090 83 E HN -0.018 nan 8.360 nan 0.000 0.396 84 P HA 0.039 nan 4.420 nan 0.000 0.273 84 P C -0.242 177.067 177.300 0.015 0.000 1.250 84 P CA -0.114 62.992 63.100 0.009 0.000 0.793 84 P CB 0.861 32.566 31.700 0.009 0.000 1.011 85 S N -1.667 114.045 115.700 0.021 0.000 2.450 85 S HA -0.213 4.257 4.470 0.000 0.000 0.248 85 S C 1.419 176.044 174.600 0.041 0.000 1.240 85 S CA 1.236 59.454 58.200 0.031 0.000 1.532 85 S CB -2.067 61.150 63.200 0.028 0.000 1.941 85 S HN 0.553 nan 8.310 nan 0.000 0.623 86 I N 1.001 121.589 120.570 0.030 0.000 2.127 86 I HA -0.206 3.964 4.170 0.000 0.000 0.241 86 I C 2.238 178.387 176.117 0.054 0.000 1.075 86 I CA 1.960 63.280 61.300 0.032 0.000 1.334 86 I CB -0.458 37.547 38.000 0.008 0.000 1.040 86 I HN 0.291 nan 8.210 nan 0.000 0.405 87 V N 0.977 120.920 119.914 0.048 0.000 2.427 87 V HA -0.256 3.864 4.120 0.000 0.000 0.248 87 V C 2.677 178.834 176.094 0.106 0.000 1.051 87 V CA 1.879 64.222 62.300 0.072 0.000 1.048 87 V CB -0.997 30.860 31.823 0.057 0.000 0.666 87 V HN 0.493 nan 8.190 nan 0.000 0.456 88 A N 0.016 122.889 122.820 0.089 0.000 1.902 88 A HA -0.078 4.242 4.320 0.000 0.000 0.217 88 A C 2.410 180.078 177.584 0.140 0.000 1.181 88 A CA 2.042 54.138 52.037 0.098 0.000 0.623 88 A CB -0.696 18.340 19.000 0.061 0.000 0.818 88 A HN 0.549 nan 8.150 nan 0.000 0.443 89 A N -0.163 122.735 122.820 0.130 0.000 1.873 89 A HA 0.230 4.550 4.320 0.000 0.000 0.215 89 A C 2.525 180.202 177.584 0.155 0.000 1.186 89 A CA 1.931 54.060 52.037 0.152 0.000 0.616 89 A CB -1.084 17.978 19.000 0.103 0.000 0.823 89 A HN 1.033 nan 8.150 nan 0.000 0.442 90 A N -0.207 122.712 122.820 0.165 0.000 1.883 90 A HA -0.122 4.198 4.320 0.000 0.000 0.217 90 A C 2.457 180.175 177.584 0.223 0.000 1.186 90 A CA 2.303 54.487 52.037 0.246 0.000 0.624 90 A CB -0.963 18.213 19.000 0.293 0.000 0.822 90 A HN 0.477 nan 8.150 nan 0.000 0.444 91 S N -1.566 114.266 115.700 0.220 0.000 2.356 91 S HA -0.151 4.319 4.470 0.000 0.000 0.223 91 S C 1.913 176.578 174.600 0.109 0.000 1.032 91 S CA 1.399 59.694 58.200 0.158 0.000 1.005 91 S CB -0.578 62.726 63.200 0.173 0.000 0.867 91 S HN 0.660 nan 8.310 nan 0.000 0.449 92 Y N 1.726 122.028 120.300 0.003 0.000 2.145 92 Y HA -0.043 4.507 4.550 0.000 0.000 0.286 92 Y C 2.183 178.053 175.900 -0.050 0.000 1.145 92 Y CA 1.130 59.219 58.100 -0.018 0.000 1.148 92 Y CB -0.648 37.812 38.460 -0.001 0.000 0.981 92 Y HN 0.123 nan 8.280 nan 0.000 0.507 93 M N 0.049 119.557 119.600 -0.154 0.000 2.296 93 M HA -0.053 4.427 4.480 0.000 0.000 0.265 93 M C 2.286 178.453 176.300 -0.221 0.000 1.064 93 M CA 1.566 56.724 55.300 -0.238 0.000 1.109 93 M CB -0.956 31.601 32.600 -0.071 0.000 1.396 93 M HN 0.330 nan 8.290 nan 0.000 0.430 94 A N -0.904 121.753 122.820 -0.272 0.000 1.929 94 A HA -0.175 4.145 4.320 0.000 0.000 0.216 94 A C 2.201 179.620 177.584 -0.274 0.000 1.176 94 A CA 1.709 53.493 52.037 -0.421 0.000 0.628 94 A CB -0.601 17.763 19.000 -1.061 0.000 0.816 94 A HN 0.498 nan 8.150 nan 0.000 0.444 95 K N -0.048 120.246 120.400 -0.177 0.000 2.026 95 K HA -0.097 4.223 4.320 0.000 0.000 0.208 95 K C 1.838 178.352 176.600 -0.143 0.000 1.048 95 K CA 1.483 57.714 56.287 -0.094 0.000 0.929 95 K CB -0.320 32.206 32.500 0.044 0.000 0.713 95 K HN 0.478 nan 8.250 nan 0.000 0.439 96 L N 0.409 121.497 121.223 -0.226 0.000 2.017 96 L HA -0.129 4.211 4.340 0.000 0.000 0.208 96 L C 2.649 179.369 176.870 -0.251 0.000 1.073 96 L CA 1.216 55.913 54.840 -0.238 0.000 0.745 96 L CB -0.687 41.183 42.059 -0.315 0.000 0.894 96 L HN 0.294 nan 8.230 nan 0.000 0.432 97 A N -0.116 122.500 122.820 -0.340 0.000 2.076 97 A HA -0.218 4.102 4.320 0.000 0.000 0.220 97 A C 2.364 179.741 177.584 -0.345 0.000 1.160 97 A CA 1.365 53.126 52.037 -0.459 0.000 0.653 97 A CB -0.534 17.905 19.000 -0.933 0.000 0.801 97 A HN 0.330 nan 8.150 nan 0.000 0.455 98 R N -0.695 119.659 120.500 -0.244 0.000 2.073 98 R HA -0.135 4.205 4.340 0.000 0.000 0.234 98 R C 2.513 178.739 176.300 -0.123 0.000 1.134 98 R CA 1.286 57.296 56.100 -0.151 0.000 0.952 98 R CB -0.472 29.768 30.300 -0.100 0.000 0.850 98 R HN 0.523 nan 8.270 nan 0.000 0.433 99 A N 1.592 124.339 122.820 -0.122 0.000 1.986 99 A HA -0.160 4.160 4.320 0.000 0.000 0.220 99 A C 1.230 178.751 177.584 -0.106 0.000 1.171 99 A CA 1.607 53.586 52.037 -0.098 0.000 0.640 99 A CB -0.275 18.668 19.000 -0.095 0.000 0.811 99 A HN 0.332 nan 8.150 nan 0.000 0.451 100 N N -1.048 117.567 118.700 -0.141 0.000 2.279 100 N HA 0.286 5.026 4.740 0.000 0.000 0.226 100 N C 0.897 176.335 175.510 -0.119 0.000 1.126 100 N CA 0.900 53.869 53.050 -0.136 0.000 0.846 100 N CB 0.688 39.068 38.487 -0.177 0.000 1.050 100 N HN 0.654 nan 8.380 nan 0.000 0.502 101 G N -0.499 108.236 108.800 -0.108 0.000 2.184 101 G HA2 -0.080 3.880 3.960 0.000 0.000 0.206 101 G HA3 -0.080 3.880 3.960 0.000 0.000 0.206 101 G C 0.589 175.433 174.900 -0.093 0.000 0.995 101 G CA 0.153 45.204 45.100 -0.081 0.000 0.651 101 G HN 0.758 nan 8.290 nan 0.000 0.511 102 G N -0.730 107.964 108.800 -0.176 0.000 2.553 102 G HA2 0.111 4.071 3.960 0.000 0.000 0.242 102 G HA3 0.111 4.071 3.960 0.000 0.000 0.242 102 G C -0.087 174.629 174.900 -0.308 0.000 1.277 102 G CA 0.039 45.003 45.100 -0.227 0.000 0.910 102 G HN 1.246 nan 8.290 nan 0.000 0.576 103 F N 1.092 121.039 119.950 -0.005 0.000 2.399 103 F HA 0.619 5.146 4.527 0.000 0.000 0.334 103 F C 0.955 176.758 175.800 0.005 0.000 1.097 103 F CA -0.095 57.911 58.000 0.009 0.000 1.076 103 F CB 2.281 41.315 39.000 0.056 0.000 1.162 103 F HN 0.394 nan 8.300 nan 0.000 0.495 104 T N 1.155 115.805 114.554 0.161 0.000 2.770 104 T HA 0.524 4.874 4.350 0.000 0.000 0.283 104 T C -0.052 174.692 174.700 0.074 0.000 0.988 104 T CA -0.806 61.345 62.100 0.084 0.000 0.957 104 T CB 1.016 69.904 68.868 0.033 0.000 0.930 104 T HN 0.721 nan 8.240 nan 0.000 0.443 105 T N -0.271 114.315 114.554 0.055 0.000 2.926 105 T HA 0.908 5.258 4.350 0.000 0.000 0.289 105 T C -0.262 174.442 174.700 0.007 0.000 1.054 105 T CA -0.801 61.315 62.100 0.027 0.000 1.015 105 T CB 1.912 70.791 68.868 0.017 0.000 1.167 105 T HN 0.727 nan 8.240 nan 0.000 0.526 106 S N -0.416 115.280 115.700 -0.006 0.000 2.636 106 S HA 0.839 5.309 4.470 0.000 0.000 0.268 106 S C -1.081 173.506 174.600 -0.023 0.000 1.159 106 S CA -0.308 57.885 58.200 -0.012 0.000 0.815 106 S CB 1.143 64.337 63.200 -0.010 0.000 1.130 106 S HN 2.044 nan 8.310 nan 0.000 0.471 107 S N -0.012 115.674 115.700 -0.023 0.000 2.615 107 S HA 0.796 5.266 4.470 0.000 0.000 0.268 107 S C -0.590 173.993 174.600 -0.027 0.000 1.146 107 S CA -0.316 57.865 58.200 -0.031 0.000 0.818 107 S CB 0.766 63.944 63.200 -0.036 0.000 1.111 107 S HN 1.953 nan 8.310 nan 0.000 0.465 108 S N 0.899 116.580 115.700 -0.032 0.000 2.713 108 S HA 0.866 5.336 4.470 0.000 0.000 0.283 108 S C 0.567 175.149 174.600 -0.029 0.000 1.161 108 S CA -0.472 57.712 58.200 -0.027 0.000 0.999 108 S CB 0.754 63.938 63.200 -0.027 0.000 1.039 108 S HN 1.811 nan 8.310 nan 0.000 0.548 109 A N 1.780 124.584 122.820 -0.026 0.000 2.507 109 A HA 0.381 4.701 4.320 0.000 0.000 0.235 109 A C -2.002 175.561 177.584 -0.035 0.000 1.070 109 A CA -1.165 50.856 52.037 -0.027 0.000 0.768 109 A CB -0.800 18.186 19.000 -0.025 0.000 1.011 109 A HN 0.737 nan 8.150 nan 0.000 0.502 110 P HA 0.171 nan 4.420 nan 0.000 0.241 110 P C -0.953 176.319 177.300 -0.046 0.000 1.760 110 P CA 0.478 63.556 63.100 -0.038 0.000 1.081 110 P CB -0.380 31.302 31.700 -0.031 0.000 1.975 111 L N 3.466 124.653 121.223 -0.060 0.000 2.289 111 L HA 0.491 4.831 4.340 0.000 0.000 0.285 111 L C 0.736 177.534 176.870 -0.120 0.000 1.049 111 L CA -0.437 54.350 54.840 -0.088 0.000 0.804 111 L CB 1.028 43.025 42.059 -0.103 0.000 1.195 111 L HN 0.119 nan 8.230 nan 0.000 0.428 112 M N 2.219 121.746 119.600 -0.120 0.000 2.535 112 M HA 0.442 4.922 4.480 0.000 0.000 0.314 112 M C -0.447 175.773 176.300 -0.133 0.000 1.153 112 M CA -0.595 54.643 55.300 -0.103 0.000 0.924 112 M CB 2.084 34.664 32.600 -0.033 0.000 1.710 112 M HN 0.455 nan 8.290 nan 0.000 0.451 113 H N 0.609 119.691 119.070 0.020 0.000 2.482 113 H HA 0.693 5.249 4.556 0.000 0.000 0.344 113 H C -0.588 174.702 175.328 -0.063 0.000 1.151 113 H CA -0.434 55.619 56.048 0.007 0.000 1.300 113 H CB 1.454 31.229 29.762 0.021 0.000 1.494 113 H HN 0.717 nan 8.280 nan 0.000 0.542 114 A N 3.171 126.010 122.820 0.033 0.000 2.385 114 A HA 0.284 4.604 4.320 0.000 0.000 0.290 114 A C -0.480 177.026 177.584 -0.130 0.000 1.094 114 A CA -0.772 51.244 52.037 -0.036 0.000 0.729 114 A CB 1.165 20.161 19.000 -0.006 0.000 1.194 114 A HN 0.705 nan 8.150 nan 0.000 0.442 115 Q N 0.882 120.579 119.800 -0.171 0.000 2.230 115 Q HA 0.585 4.925 4.340 0.000 0.000 0.253 115 Q C -0.940 175.026 176.000 -0.057 0.000 0.919 115 Q CA -0.710 54.977 55.803 -0.193 0.000 0.908 115 Q CB 2.535 31.151 28.738 -0.204 0.000 1.245 115 Q HN 0.470 nan 8.270 nan 0.000 0.437 116 V N 2.666 122.580 119.914 0.000 0.000 2.380 116 V HA 0.135 4.255 4.120 0.000 0.000 0.272 116 V C -0.330 175.796 176.094 0.052 0.000 1.011 116 V CA -0.690 61.625 62.300 0.024 0.000 0.826 116 V CB 1.153 32.995 31.823 0.032 0.000 1.040 116 V HN 0.717 nan 8.190 nan 0.000 0.441 117 Q N 4.523 124.346 119.800 0.039 0.000 2.313 117 Q HA 0.504 4.844 4.340 0.000 0.000 0.266 117 Q C -1.087 174.942 176.000 0.048 0.000 0.989 117 Q CA 0.093 55.928 55.803 0.054 0.000 0.890 117 Q CB 0.898 29.651 28.738 0.025 0.000 1.200 117 Q HN 0.729 nan 8.270 nan 0.000 0.396 118 I N 5.033 125.642 120.570 0.065 0.000 2.466 118 I HA 0.394 4.564 4.170 0.000 0.000 0.289 118 I C -0.184 175.963 176.117 0.051 0.000 1.026 118 I CA -1.012 60.318 61.300 0.050 0.000 1.078 118 I CB 1.687 39.716 38.000 0.050 0.000 1.249 118 I HN 0.478 nan 8.210 nan 0.000 0.429 119 V N 1.345 121.281 119.914 0.035 0.000 3.158 119 V HA 0.967 5.087 4.120 0.000 0.000 0.315 119 V C 0.669 176.778 176.094 0.026 0.000 1.148 119 V CA -0.105 62.215 62.300 0.033 0.000 1.042 119 V CB 1.335 33.172 31.823 0.023 0.000 1.101 119 V HN 1.063 nan 8.190 nan 0.000 0.448 120 G N 0.746 109.560 108.800 0.024 0.000 2.137 120 G HA2 -0.170 3.790 3.960 0.000 0.000 0.237 120 G HA3 -0.170 3.790 3.960 0.000 0.000 0.237 120 G C -0.340 174.571 174.900 0.019 0.000 1.002 120 G CA 0.375 45.486 45.100 0.018 0.000 0.702 120 G HN 1.046 nan 8.290 nan 0.000 0.515 121 I N -0.098 120.486 120.570 0.023 0.000 2.404 121 I HA 0.292 4.462 4.170 0.000 0.000 0.293 121 I C 1.225 177.354 176.117 0.020 0.000 0.992 121 I CA -0.966 60.347 61.300 0.021 0.000 1.149 121 I CB 1.654 39.668 38.000 0.024 0.000 1.315 121 I HN -0.074 nan 8.210 nan 0.000 0.446 122 Q N 3.118 122.927 119.800 0.015 0.000 2.331 122 Q HA -0.049 4.291 4.340 0.000 0.000 0.203 122 Q C -0.162 175.845 176.000 0.012 0.000 0.944 122 Q CA 0.948 56.759 55.803 0.013 0.000 0.892 122 Q CB 0.234 28.978 28.738 0.010 0.000 0.983 122 Q HN 0.729 nan 8.270 nan 0.000 0.482 123 D N -1.633 118.774 120.400 0.012 0.000 2.607 123 D HA 0.171 4.811 4.640 0.000 0.000 0.318 123 D C -2.408 173.898 176.300 0.009 0.000 1.212 123 D CA -1.693 52.313 54.000 0.009 0.000 0.861 123 D CB 0.956 41.759 40.800 0.005 0.000 1.064 123 D HN -0.113 nan 8.370 nan 0.000 0.500 124 P HA -0.100 nan 4.420 nan 0.000 0.215 124 P C 1.770 179.072 177.300 0.003 0.000 1.153 124 P CA 0.787 63.896 63.100 0.016 0.000 0.853 124 P CB 0.410 32.127 31.700 0.027 0.000 0.788 125 L N -1.039 120.182 121.223 -0.003 0.000 2.056 125 L HA -0.162 4.178 4.340 0.000 0.000 0.207 125 L C 2.413 179.274 176.870 -0.014 0.000 1.078 125 L CA 1.660 56.492 54.840 -0.014 0.000 0.749 125 L CB -1.034 41.016 42.059 -0.015 0.000 0.901 125 L HN 0.022 nan 8.230 nan 0.000 0.433 126 N N 0.478 119.173 118.700 -0.008 0.000 2.171 126 N HA -0.144 4.596 4.740 0.000 0.000 0.184 126 N C 1.829 177.335 175.510 -0.007 0.000 1.021 126 N CA 1.484 54.530 53.050 -0.007 0.000 0.854 126 N CB -0.078 38.407 38.487 -0.004 0.000 0.994 126 N HN 0.232 nan 8.380 nan 0.000 0.426 127 A N 0.941 123.760 122.820 -0.002 0.000 1.940 127 A HA -0.197 4.123 4.320 0.000 0.000 0.219 127 A C 2.258 179.840 177.584 -0.003 0.000 1.176 127 A CA 1.652 53.689 52.037 0.001 0.000 0.631 127 A CB -0.827 18.177 19.000 0.008 0.000 0.814 127 A HN 0.477 nan 8.150 nan 0.000 0.446 128 R N -0.222 120.272 120.500 -0.010 0.000 2.083 128 R HA -0.091 4.249 4.340 0.000 0.000 0.237 128 R C 1.867 178.152 176.300 -0.025 0.000 1.137 128 R CA 1.721 57.808 56.100 -0.022 0.000 0.951 128 R CB -0.402 29.875 30.300 -0.038 0.000 0.851 128 R HN 0.515 nan 8.270 nan 0.000 0.434 129 L N 0.342 121.551 121.223 -0.023 0.000 2.201 129 L HA -0.094 4.246 4.340 0.000 0.000 0.212 129 L C 2.383 179.244 176.870 -0.015 0.000 1.105 129 L CA 0.935 55.761 54.840 -0.022 0.000 0.775 129 L CB -0.317 41.730 42.059 -0.020 0.000 0.913 129 L HN 0.273 nan 8.230 nan 0.000 0.440 130 S N 0.152 115.846 115.700 -0.010 0.000 2.383 130 S HA -0.088 4.382 4.470 0.000 0.000 0.227 130 S C 1.983 176.579 174.600 -0.005 0.000 1.026 130 S CA 1.027 59.224 58.200 -0.006 0.000 0.981 130 S CB -0.075 63.124 63.200 -0.002 0.000 0.818 130 S HN 0.299 nan 8.310 nan 0.000 0.472 131 L N 0.840 122.059 121.223 -0.006 0.000 2.072 131 L HA -0.008 4.332 4.340 0.000 0.000 0.205 131 L C 2.051 178.916 176.870 -0.008 0.000 1.079 131 L CA 0.884 55.722 54.840 -0.003 0.000 0.752 131 L CB -0.431 41.628 42.059 -0.000 0.000 0.906 131 L HN 0.285 nan 8.230 nan 0.000 0.436 132 L N -0.152 121.061 121.223 -0.016 0.000 2.201 132 L HA -0.168 4.172 4.340 0.000 0.000 0.212 132 L C 2.787 179.648 176.870 -0.014 0.000 1.105 132 L CA 1.074 55.902 54.840 -0.020 0.000 0.775 132 L CB -0.501 41.540 42.059 -0.031 0.000 0.913 132 L HN 0.371 nan 8.230 nan 0.000 0.440 133 R N 0.633 121.126 120.500 -0.011 0.000 2.093 133 R HA -0.059 4.281 4.340 0.000 0.000 0.224 133 R C 1.585 177.882 176.300 -0.006 0.000 1.101 133 R CA 0.813 56.908 56.100 -0.009 0.000 0.979 133 R CB -0.208 30.087 30.300 -0.008 0.000 0.877 133 R HN 0.187 nan 8.270 nan 0.000 0.441 134 R N 0.959 121.456 120.500 -0.004 0.000 2.568 134 R HA 0.137 4.477 4.340 0.000 0.000 0.288 134 R C 1.174 177.474 176.300 -0.001 0.000 1.077 134 R CA -0.133 55.965 56.100 -0.002 0.000 1.102 134 R CB 0.337 30.637 30.300 -0.000 0.000 1.278 134 R HN 0.264 nan 8.270 nan 0.000 0.560 135 K N 1.202 121.601 120.400 -0.002 0.000 2.026 135 K HA -0.170 4.150 4.320 0.000 0.000 0.208 135 K C 0.824 177.425 176.600 0.001 0.000 1.048 135 K CA 1.696 57.983 56.287 -0.000 0.000 0.929 135 K CB 0.186 32.683 32.500 -0.004 0.000 0.713 135 K HN 0.083 nan 8.250 nan 0.000 0.439 136 D N 0.726 121.126 120.400 -0.000 0.000 2.149 136 D HA -0.184 4.456 4.640 0.000 0.000 0.198 136 D C 1.769 178.069 176.300 0.001 0.000 0.990 136 D CA 1.025 55.025 54.000 0.000 0.000 0.839 136 D CB -0.027 40.773 40.800 -0.001 0.000 0.948 136 D HN 0.439 nan 8.370 nan 0.000 0.460 137 E N 0.399 120.600 120.200 0.001 0.000 2.038 137 E HA -0.157 4.193 4.350 0.000 0.000 0.195 137 E C 2.362 178.964 176.600 0.004 0.000 1.000 137 E CA 0.726 57.127 56.400 0.002 0.000 0.803 137 E CB -0.042 29.659 29.700 0.002 0.000 0.750 137 E HN 0.225 nan 8.360 nan 0.000 0.448 138 I N 0.902 121.475 120.570 0.005 0.000 2.208 138 I HA -0.307 3.863 4.170 0.000 0.000 0.245 138 I C 2.401 178.523 176.117 0.008 0.000 1.097 138 I CA 1.020 62.325 61.300 0.008 0.000 1.363 138 I CB -0.291 37.716 38.000 0.011 0.000 1.051 138 I HN 0.223 nan 8.210 nan 0.000 0.413 139 I N 0.561 121.136 120.570 0.007 0.000 2.226 139 I HA -0.280 3.890 4.170 0.000 0.000 0.245 139 I C 2.459 178.578 176.117 0.004 0.000 1.100 139 I CA 1.571 62.875 61.300 0.007 0.000 1.374 139 I CB -0.486 37.517 38.000 0.006 0.000 1.057 139 I HN 0.281 nan 8.210 nan 0.000 0.413 140 E N 0.520 120.721 120.200 0.003 0.000 2.110 140 E HA -0.249 4.101 4.350 0.000 0.000 0.193 140 E C 2.116 178.717 176.600 0.002 0.000 0.988 140 E CA 1.024 57.426 56.400 0.002 0.000 0.804 140 E CB -0.151 29.550 29.700 0.001 0.000 0.745 140 E HN 0.284 nan 8.360 nan 0.000 0.458 141 L N 0.916 122.141 121.223 0.003 0.000 2.131 141 L HA -0.097 4.243 4.340 0.000 0.000 0.210 141 L C 2.132 179.004 176.870 0.003 0.000 1.092 141 L CA 1.805 56.646 54.840 0.003 0.000 0.759 141 L CB -0.540 41.522 42.059 0.004 0.000 0.903 141 L HN 0.010 nan 8.230 nan 0.000 0.435 142 A N -0.548 122.274 122.820 0.004 0.000 1.898 142 A HA -0.161 4.159 4.320 0.000 0.000 0.216 142 A C 2.013 179.598 177.584 0.001 0.000 1.181 142 A CA 1.641 53.680 52.037 0.003 0.000 0.620 142 A CB -0.641 18.363 19.000 0.006 0.000 0.819 142 A HN 0.579 nan 8.150 nan 0.000 0.442 143 N N -0.744 117.956 118.700 0.001 0.000 2.457 143 N HA -0.085 4.655 4.740 0.000 0.000 0.180 143 N C 1.678 177.187 175.510 -0.001 0.000 1.050 143 N CA 0.947 53.996 53.050 -0.001 0.000 0.906 143 N CB -0.271 38.215 38.487 -0.001 0.000 0.968 143 N HN 0.437 nan 8.380 nan 0.000 0.445 144 R N 1.744 122.243 120.500 -0.000 0.000 2.189 144 R HA -0.015 4.325 4.340 0.000 0.000 0.223 144 R C 1.949 178.249 176.300 -0.001 0.000 1.092 144 R CA 1.189 57.289 56.100 -0.000 0.000 0.989 144 R CB -0.041 30.259 30.300 0.000 0.000 0.876 144 R HN 0.115 nan 8.270 nan 0.000 0.457 145 K N -0.187 120.213 120.400 -0.001 0.000 2.005 145 K HA -0.050 4.270 4.320 0.000 0.000 0.206 145 K C 0.097 176.696 176.600 -0.002 0.000 1.044 145 K CA 1.506 57.792 56.287 -0.001 0.000 0.942 145 K CB -0.019 32.480 32.500 -0.001 0.000 0.727 145 K HN -0.011 nan 8.250 nan 0.000 0.439 146 D N 1.093 121.492 120.400 -0.002 0.000 2.564 146 D HA 0.047 4.687 4.640 0.000 0.000 0.226 146 D C 0.297 176.595 176.300 -0.003 0.000 1.149 146 D CA 0.019 54.017 54.000 -0.003 0.000 0.994 146 D CB 0.758 41.556 40.800 -0.004 0.000 1.029 146 D HN 0.259 nan 8.370 nan 0.000 0.517 147 Q N 1.323 121.121 119.800 -0.003 0.000 2.079 147 Q HA -0.131 4.209 4.340 0.000 0.000 0.200 147 Q C 1.858 177.856 176.000 -0.003 0.000 0.974 147 Q CA 0.646 56.448 55.803 -0.002 0.000 0.840 147 Q CB 0.143 28.879 28.738 -0.002 0.000 0.898 147 Q HN 0.432 nan 8.270 nan 0.000 0.430 148 L N 1.209 122.431 121.223 -0.003 0.000 1.990 148 L HA -0.225 4.115 4.340 0.000 0.000 0.213 148 L C 2.283 179.150 176.870 -0.004 0.000 1.072 148 L CA 1.598 56.436 54.840 -0.003 0.000 0.755 148 L CB -1.030 41.028 42.059 -0.003 0.000 0.889 148 L HN 0.214 nan 8.230 nan 0.000 0.432 149 L N -0.001 121.219 121.223 -0.004 0.000 2.043 149 L HA -0.290 4.050 4.340 0.000 0.000 0.212 149 L C 2.149 179.016 176.870 -0.006 0.000 1.075 149 L CA 2.181 57.018 54.840 -0.006 0.000 0.752 149 L CB -0.951 41.105 42.059 -0.006 0.000 0.891 149 L HN 0.434 nan 8.230 nan 0.000 0.432 150 N N -1.266 117.431 118.700 -0.005 0.000 2.223 150 N HA -0.138 4.602 4.740 0.000 0.000 0.185 150 N C 1.784 177.291 175.510 -0.004 0.000 1.016 150 N CA 1.384 54.431 53.050 -0.005 0.000 0.863 150 N CB -0.103 38.382 38.487 -0.004 0.000 0.983 150 N HN 0.336 nan 8.380 nan 0.000 0.429 151 S N -0.171 115.527 115.700 -0.004 0.000 2.428 151 S HA 0.071 4.541 4.470 0.000 0.000 0.230 151 S C 1.422 176.019 174.600 -0.004 0.000 1.014 151 S CA 0.420 58.618 58.200 -0.003 0.000 0.957 151 S CB 0.045 63.243 63.200 -0.003 0.000 0.784 151 S HN 0.221 nan 8.310 nan 0.000 0.499 152 L N 0.517 121.737 121.223 -0.005 0.000 2.395 152 L HA 0.164 4.504 4.340 0.000 0.000 0.218 152 L C 1.717 178.583 176.870 -0.006 0.000 1.130 152 L CA 1.309 56.146 54.840 -0.005 0.000 0.826 152 L CB -1.624 40.432 42.059 -0.006 0.000 0.941 152 L HN 0.522 nan 8.230 nan 0.000 0.451 153 G N -1.105 107.691 108.800 -0.006 0.000 2.141 153 G HA2 -0.114 3.846 3.960 0.000 0.000 0.164 153 G HA3 -0.114 3.846 3.960 0.000 0.000 0.164 153 G C 0.512 175.407 174.900 -0.009 0.000 1.009 153 G CA 0.012 45.108 45.100 -0.007 0.000 0.677 153 G HN 0.576 nan 8.290 nan 0.000 0.508 154 G N -1.152 107.643 108.800 -0.009 0.000 3.175 154 G HA2 1.048 5.008 3.960 0.000 0.000 0.153 154 G HA3 1.048 5.008 3.960 0.000 0.000 0.153 154 G C 0.685 175.579 174.900 -0.010 0.000 1.216 154 G CA 0.576 45.669 45.100 -0.011 0.000 0.943 154 G HN 2.079 nan 8.290 nan 0.000 0.611 155 G N -2.612 106.182 108.800 -0.011 0.000 2.555 155 G HA2 0.185 4.145 3.960 0.000 0.000 0.686 155 G HA3 0.185 4.145 3.960 0.000 0.000 0.686 155 G C -0.006 174.888 174.900 -0.009 0.000 1.275 155 G CA -0.255 44.840 45.100 -0.008 0.000 0.871 155 G HN 1.511 nan 8.290 nan 0.000 0.603 156 C N 0.743 120.040 119.300 -0.005 0.000 2.657 156 C HA 0.570 5.030 4.460 0.000 0.000 0.420 156 C C 1.997 176.986 174.990 -0.003 0.000 1.323 156 C CA 0.558 59.575 59.018 -0.002 0.000 1.894 156 C CB -0.244 27.498 27.740 0.003 0.000 2.681 156 C HN 0.743 nan 8.230 nan 0.000 0.613 157 R N 1.463 121.961 120.500 -0.003 0.000 2.412 157 R HA 0.268 4.608 4.340 0.000 0.000 0.212 157 R C -0.439 175.862 176.300 0.002 0.000 0.878 157 R CA -0.012 56.086 56.100 -0.003 0.000 1.022 157 R CB 0.312 30.606 30.300 -0.009 0.000 1.265 157 R HN 0.803 nan 8.270 nan 0.000 0.620 158 D N -0.818 119.587 120.400 0.009 0.000 2.692 158 D HA 0.411 5.051 4.640 0.000 0.000 0.290 158 D C -1.821 174.498 176.300 0.031 0.000 1.281 158 D CA -0.588 53.420 54.000 0.015 0.000 0.804 158 D CB 1.668 42.476 40.800 0.013 0.000 1.331 158 D HN -0.203 nan 8.370 nan 0.000 0.432 159 I N 0.997 121.585 120.570 0.031 0.000 2.569 159 I HA 0.328 4.498 4.170 0.000 0.000 0.290 159 I C -1.201 174.929 176.117 0.022 0.000 1.088 159 I CA -0.398 60.930 61.300 0.047 0.000 1.047 159 I CB 1.962 39.982 38.000 0.033 0.000 1.237 159 I HN 0.374 nan 8.210 nan 0.000 0.421 160 E N 6.252 126.474 120.200 0.037 0.000 2.256 160 E HA 0.709 5.059 4.350 0.000 0.000 0.268 160 E C -1.734 174.747 176.600 -0.198 0.000 0.877 160 E CA -0.860 55.477 56.400 -0.105 0.000 0.757 160 E CB 2.284 31.915 29.700 -0.116 0.000 1.183 160 E HN 0.194 nan 8.360 nan 0.000 0.418 161 V N 2.991 122.724 119.914 -0.302 0.000 2.435 161 V HA 0.342 4.462 4.120 0.000 0.000 0.290 161 V C -0.861 174.943 176.094 -0.483 0.000 1.030 161 V CA -0.667 61.487 62.300 -0.243 0.000 0.881 161 V CB 0.981 32.742 31.823 -0.104 0.000 0.983 161 V HN 0.693 nan 8.190 nan 0.000 0.445 162 H N 1.202 120.236 119.070 -0.059 0.000 2.538 162 H HA 0.679 5.235 4.556 0.000 0.000 0.353 162 H C 0.112 175.297 175.328 -0.237 0.000 1.109 162 H CA -0.509 55.422 56.048 -0.196 0.000 1.192 162 H CB 1.876 31.491 29.762 -0.245 0.000 1.555 162 H HN 0.760 nan 8.280 nan 0.000 0.518 163 T N -0.189 114.205 114.554 -0.266 0.000 2.885 163 T HA 0.626 4.976 4.350 0.000 0.000 0.285 163 T C -0.806 173.593 174.700 -0.502 0.000 1.019 163 T CA -0.866 61.099 62.100 -0.226 0.000 1.010 163 T CB 0.902 69.714 68.868 -0.093 0.000 1.022 163 T HN 0.331 nan 8.240 nan 0.000 0.466 164 F N 1.189 121.165 119.950 0.042 0.000 2.610 164 F HA 0.624 5.151 4.527 0.000 0.000 0.355 164 F C 0.873 176.686 175.800 0.021 0.000 1.140 164 F CA -1.193 56.824 58.000 0.029 0.000 1.037 164 F CB 1.434 40.450 39.000 0.026 0.000 1.287 164 F HN 0.862 nan 8.300 nan 0.000 0.457 165 A N 0.797 123.694 122.820 0.128 0.000 2.275 165 A HA 0.066 4.386 4.320 0.000 0.000 0.212 165 A C 0.644 178.278 177.584 0.082 0.000 1.201 165 A CA 0.352 52.441 52.037 0.087 0.000 0.843 165 A CB -0.028 18.998 19.000 0.043 0.000 0.873 165 A HN 0.582 nan 8.150 nan 0.000 0.492 166 D N 0.846 121.309 120.400 0.106 0.000 2.551 166 D HA 0.254 4.894 4.640 0.000 0.000 0.294 166 D C -0.947 175.396 176.300 0.072 0.000 1.201 166 D CA 0.300 54.346 54.000 0.076 0.000 0.941 166 D CB 0.399 41.239 40.800 0.066 0.000 0.995 166 D HN 0.066 nan 8.370 nan 0.000 0.502 167 T N 1.151 115.740 114.554 0.058 0.000 2.885 167 T HA 0.326 4.676 4.350 0.000 0.000 0.285 167 T C -1.530 173.177 174.700 0.013 0.000 1.019 167 T CA -1.333 60.782 62.100 0.027 0.000 1.010 167 T CB 2.267 71.147 68.868 0.021 0.000 1.022 167 T HN 0.013 nan 8.240 nan 0.000 0.466 168 P HA -0.019 nan 4.420 nan 0.000 0.218 168 P C 0.616 177.915 177.300 -0.001 0.000 1.146 168 P CA 0.936 64.034 63.100 -0.003 0.000 0.813 168 P CB 0.263 31.956 31.700 -0.012 0.000 0.778 169 R N -0.379 120.120 120.500 -0.002 0.000 2.935 169 R HA 0.451 4.791 4.340 0.000 0.000 0.354 169 R C 0.568 176.875 176.300 0.010 0.000 1.206 169 R CA 0.180 56.281 56.100 0.001 0.000 1.082 169 R CB 0.146 30.443 30.300 -0.006 0.000 1.431 169 R HN 0.129 nan 8.270 nan 0.000 0.582 170 G N 2.611 111.421 108.800 0.017 0.000 2.795 170 G HA2 -0.212 3.748 3.960 0.000 0.000 0.664 170 G HA3 -0.212 3.748 3.960 0.000 0.000 0.664 170 G C -2.764 172.161 174.900 0.041 0.000 1.381 170 G CA -1.100 44.015 45.100 0.026 0.000 0.853 170 G HN 0.130 nan 8.290 nan 0.000 0.545 171 P HA 0.503 nan 4.420 nan 0.000 0.274 171 P C -0.011 177.340 177.300 0.084 0.000 1.231 171 P CA 0.041 63.187 63.100 0.076 0.000 0.790 171 P CB 0.940 32.675 31.700 0.059 0.000 0.951 172 M N 1.165 120.845 119.600 0.133 0.000 2.520 172 M HA 0.592 5.072 4.480 0.000 0.000 0.283 172 M C -1.603 174.818 176.300 0.201 0.000 1.237 172 M CA -1.219 54.165 55.300 0.139 0.000 0.885 172 M CB 2.511 35.179 32.600 0.113 0.000 1.727 172 M HN 0.111 nan 8.290 nan 0.000 0.468 173 L N 2.221 123.538 121.223 0.158 0.000 2.346 173 L HA 0.850 5.190 4.340 0.000 0.000 0.276 173 L C -1.611 175.375 176.870 0.193 0.000 1.006 173 L CA -0.842 54.091 54.840 0.155 0.000 0.817 173 L CB 1.998 44.108 42.059 0.085 0.000 1.272 173 L HN 0.703 nan 8.230 nan 0.000 0.421 174 V N 4.869 124.937 119.914 0.256 0.000 2.380 174 V HA 0.586 4.706 4.120 0.000 0.000 0.286 174 V C 0.226 176.513 176.094 0.322 0.000 1.015 174 V CA -0.530 61.951 62.300 0.302 0.000 0.834 174 V CB 1.230 33.323 31.823 0.450 0.000 1.009 174 V HN 0.869 nan 8.190 nan 0.000 0.428 175 A N 3.531 126.487 122.820 0.226 0.000 2.316 175 A HA 0.755 5.075 4.320 0.000 0.000 0.284 175 A C -0.621 177.151 177.584 0.314 0.000 1.115 175 A CA -0.180 51.983 52.037 0.210 0.000 0.812 175 A CB 0.258 19.324 19.000 0.110 0.000 1.064 175 A HN 0.880 nan 8.150 nan 0.000 0.489 176 H N 0.772 119.918 119.070 0.126 0.000 2.539 176 H HA 0.491 5.047 4.556 0.000 0.000 0.332 176 H C -0.701 174.701 175.328 0.123 0.000 1.031 176 H CA -0.343 55.808 56.048 0.171 0.000 1.206 176 H CB 1.202 31.134 29.762 0.284 0.000 1.446 176 H HN 0.517 nan 8.280 nan 0.000 0.496 177 L N 4.992 126.306 121.223 0.151 0.000 2.276 177 L HA 0.350 4.690 4.340 0.000 0.000 0.286 177 L C 0.085 177.007 176.870 0.086 0.000 1.061 177 L CA -0.298 54.598 54.840 0.093 0.000 0.807 177 L CB 0.943 43.028 42.059 0.043 0.000 1.177 177 L HN 0.568 nan 8.230 nan 0.000 0.429 178 I N 4.498 125.102 120.570 0.057 0.000 2.317 178 I HA 0.159 4.329 4.170 0.000 0.000 0.286 178 I C -0.101 175.998 176.117 -0.029 0.000 1.119 178 I CA -0.370 60.923 61.300 -0.012 0.000 1.228 178 I CB 0.868 38.863 38.000 -0.008 0.000 1.476 178 I HN 0.303 nan 8.210 nan 0.000 0.514 179 V N 3.968 123.862 119.914 -0.034 0.000 2.649 179 V HA 0.081 4.201 4.120 0.000 0.000 0.292 179 V C 0.531 176.602 176.094 -0.039 0.000 1.055 179 V CA -0.406 61.877 62.300 -0.027 0.000 1.023 179 V CB 1.628 33.441 31.823 -0.017 0.000 0.992 179 V HN 0.543 nan 8.190 nan 0.000 0.480 180 D N 3.992 124.375 120.400 -0.029 0.000 2.524 180 D HA 0.230 4.870 4.640 0.000 0.000 0.222 180 D C 0.193 176.478 176.300 -0.024 0.000 1.142 180 D CA -0.261 53.722 54.000 -0.030 0.000 0.973 180 D CB 1.047 41.833 40.800 -0.023 0.000 1.025 180 D HN 0.438 nan 8.370 nan 0.000 0.519 181 V N 2.153 122.051 119.914 -0.026 0.000 3.611 181 V HA 0.454 4.574 4.120 0.000 0.000 0.296 181 V C 0.200 176.283 176.094 -0.019 0.000 1.091 181 V CA -0.434 61.854 62.300 -0.021 0.000 1.103 181 V CB 0.561 32.371 31.823 -0.021 0.000 1.157 181 V HN 0.425 nan 8.190 nan 0.000 0.471 182 R N -0.043 120.447 120.500 -0.016 0.000 2.512 182 R HA 0.363 4.703 4.340 0.000 0.000 0.291 182 R C -0.385 175.907 176.300 -0.014 0.000 1.097 182 R CA 0.019 56.110 56.100 -0.015 0.000 0.940 182 R CB 0.563 30.855 30.300 -0.012 0.000 1.198 182 R HN 0.944 nan 8.270 nan 0.000 0.429 183 D N 0.790 121.182 120.400 -0.015 0.000 3.044 183 D HA -0.251 4.389 4.640 0.000 0.000 0.223 183 D C -0.729 175.564 176.300 -0.012 0.000 1.191 183 D CA 1.980 55.972 54.000 -0.013 0.000 0.881 183 D CB -0.518 40.275 40.800 -0.010 0.000 1.115 183 D HN 0.533 nan 8.370 nan 0.000 0.408 184 A N -0.500 122.312 122.820 -0.013 0.000 2.380 184 A HA 0.623 4.943 4.320 0.000 0.000 0.315 184 A C 1.090 178.665 177.584 -0.014 0.000 1.101 184 A CA -0.313 51.717 52.037 -0.012 0.000 0.771 184 A CB 1.675 20.669 19.000 -0.011 0.000 1.287 184 A HN 0.021 nan 8.150 nan 0.000 0.436 185 M N 1.096 120.688 119.600 -0.013 0.000 2.159 185 M HA 0.001 4.481 4.480 0.000 0.000 0.263 185 M C 1.397 177.687 176.300 -0.015 0.000 1.063 185 M CA 2.550 57.841 55.300 -0.015 0.000 1.110 185 M CB -0.241 32.349 32.600 -0.016 0.000 1.374 185 M HN 1.710 nan 8.290 nan 0.000 0.411 186 G N -1.401 107.391 108.800 -0.015 0.000 2.157 186 G HA2 -0.261 3.699 3.960 0.000 0.000 0.239 186 G HA3 -0.261 3.699 3.960 0.000 0.000 0.239 186 G C 0.907 175.799 174.900 -0.013 0.000 0.982 186 G CA 0.886 45.977 45.100 -0.014 0.000 0.650 186 G HN 0.670 nan 8.290 nan 0.000 0.527 187 A N 0.582 123.393 122.820 -0.015 0.000 1.865 187 A HA -0.067 4.253 4.320 0.000 0.000 0.217 187 A C 2.020 179.594 177.584 -0.016 0.000 1.191 187 A CA 2.396 54.422 52.037 -0.017 0.000 0.623 187 A CB -0.570 18.416 19.000 -0.024 0.000 0.826 187 A HN 0.644 nan 8.150 nan 0.000 0.444 188 N N -1.427 117.264 118.700 -0.015 0.000 2.290 188 N HA -0.041 4.699 4.740 0.000 0.000 0.179 188 N C 1.627 177.130 175.510 -0.011 0.000 1.016 188 N CA 1.311 54.353 53.050 -0.013 0.000 0.871 188 N CB -0.143 38.337 38.487 -0.012 0.000 0.987 188 N HN 0.421 nan 8.380 nan 0.000 0.431 189 T N 0.130 114.678 114.554 -0.010 0.000 2.746 189 T HA -0.086 4.264 4.350 0.000 0.000 0.267 189 T C 2.014 176.709 174.700 -0.009 0.000 1.039 189 T CA 0.821 62.916 62.100 -0.009 0.000 1.142 189 T CB -0.228 68.634 68.868 -0.010 0.000 0.866 189 T HN -0.010 nan 8.240 nan 0.000 0.444 190 V N 1.980 121.888 119.914 -0.009 0.000 2.346 190 V HA -0.097 4.023 4.120 0.000 0.000 0.244 190 V C 2.403 178.492 176.094 -0.008 0.000 1.037 190 V CA 1.339 63.635 62.300 -0.008 0.000 1.029 190 V CB -0.535 31.284 31.823 -0.007 0.000 0.663 190 V HN 0.385 nan 8.190 nan 0.000 0.454 191 N N 0.001 118.694 118.700 -0.011 0.000 2.205 191 N HA -0.153 4.587 4.740 0.000 0.000 0.186 191 N C 1.861 177.365 175.510 -0.010 0.000 1.015 191 N CA 1.905 54.948 53.050 -0.012 0.000 0.862 191 N CB -0.538 37.940 38.487 -0.015 0.000 0.986 191 N HN 0.419 nan 8.380 nan 0.000 0.429 192 T N 1.231 115.780 114.554 -0.008 0.000 2.701 192 T HA -0.018 4.332 4.350 0.000 0.000 0.263 192 T C 2.030 176.728 174.700 -0.004 0.000 1.040 192 T CA 1.016 63.112 62.100 -0.006 0.000 1.147 192 T CB -0.100 68.765 68.868 -0.006 0.000 0.865 192 T HN 0.199 nan 8.240 nan 0.000 0.426 193 M N 0.963 120.561 119.600 -0.003 0.000 2.080 193 M HA -0.103 4.377 4.480 0.000 0.000 0.260 193 M C 2.826 179.127 176.300 0.001 0.000 1.068 193 M CA 1.723 57.022 55.300 -0.000 0.000 1.109 193 M CB -0.618 31.982 32.600 0.000 0.000 1.342 193 M HN 0.297 nan 8.290 nan 0.000 0.405 194 A N 0.399 123.219 122.820 -0.000 0.000 1.948 194 A HA -0.181 4.139 4.320 0.000 0.000 0.220 194 A C 2.011 179.596 177.584 0.001 0.000 1.177 194 A CA 1.683 53.721 52.037 0.001 0.000 0.636 194 A CB -0.593 18.403 19.000 -0.006 0.000 0.815 194 A HN 0.496 nan 8.150 nan 0.000 0.449 195 E N -0.217 119.982 120.200 -0.002 0.000 2.106 195 E HA -0.089 4.261 4.350 0.000 0.000 0.192 195 E C 2.299 178.900 176.600 0.001 0.000 0.984 195 E CA 1.144 57.543 56.400 -0.001 0.000 0.806 195 E CB -0.485 29.213 29.700 -0.003 0.000 0.750 195 E HN 0.616 nan 8.360 nan 0.000 0.458 196 A N 1.083 123.904 122.820 0.001 0.000 1.929 196 A HA -0.056 4.264 4.320 0.000 0.000 0.216 196 A C 2.513 180.100 177.584 0.004 0.000 1.176 196 A CA 0.845 52.883 52.037 0.002 0.000 0.628 196 A CB -0.392 18.609 19.000 0.001 0.000 0.816 196 A HN 0.110 nan 8.150 nan 0.000 0.444 197 V N -0.229 119.688 119.914 0.006 0.000 2.719 197 V HA -0.129 3.991 4.120 0.000 0.000 0.252 197 V C 2.942 179.042 176.094 0.010 0.000 1.065 197 V CA 1.258 63.563 62.300 0.009 0.000 1.086 197 V CB -0.870 30.960 31.823 0.012 0.000 0.700 197 V HN 0.606 nan 8.190 nan 0.000 0.467 198 A N 0.959 123.785 122.820 0.009 0.000 1.881 198 A HA -0.231 4.089 4.320 0.000 0.000 0.219 198 A C 0.526 178.115 177.584 0.009 0.000 1.215 198 A CA 2.554 54.597 52.037 0.010 0.000 0.648 198 A CB -2.105 16.899 19.000 0.007 0.000 0.832 198 A HN 0.525 nan 8.150 nan 0.000 0.455 199 P HA -0.178 nan 4.420 nan 0.000 0.216 199 P C 1.689 178.993 177.300 0.007 0.000 1.157 199 P CA 1.279 64.383 63.100 0.006 0.000 0.880 199 P CB -0.122 31.581 31.700 0.004 0.000 0.791 200 L N -1.528 119.700 121.223 0.007 0.000 2.046 200 L HA -0.104 4.236 4.340 0.000 0.000 0.208 200 L C 2.310 179.186 176.870 0.009 0.000 1.077 200 L CA 1.898 56.742 54.840 0.007 0.000 0.747 200 L CB -1.191 40.872 42.059 0.007 0.000 0.896 200 L HN -0.105 nan 8.230 nan 0.000 0.432 201 M N -0.983 118.624 119.600 0.012 0.000 2.159 201 M HA -0.241 4.239 4.480 0.000 0.000 0.263 201 M C 2.201 178.509 176.300 0.014 0.000 1.063 201 M CA 1.951 57.260 55.300 0.015 0.000 1.110 201 M CB -0.488 32.124 32.600 0.021 0.000 1.374 201 M HN 0.352 nan 8.290 nan 0.000 0.411 202 E N 0.320 120.528 120.200 0.013 0.000 2.204 202 E HA -0.146 4.204 4.350 0.000 0.000 0.194 202 E C 1.859 178.465 176.600 0.010 0.000 0.989 202 E CA 1.102 57.509 56.400 0.012 0.000 0.824 202 E CB 0.134 29.840 29.700 0.010 0.000 0.756 202 E HN 0.488 nan 8.360 nan 0.000 0.477 203 A N 0.516 123.341 122.820 0.008 0.000 1.903 203 A HA -0.030 4.290 4.320 0.000 0.000 0.213 203 A C 2.048 179.636 177.584 0.006 0.000 1.185 203 A CA 0.575 52.616 52.037 0.007 0.000 0.628 203 A CB -0.305 18.698 19.000 0.005 0.000 0.830 203 A HN 0.234 nan 8.150 nan 0.000 0.446 204 I N 0.362 120.936 120.570 0.007 0.000 2.163 204 I HA -0.226 3.944 4.170 0.000 0.000 0.240 204 I C 2.900 179.021 176.117 0.007 0.000 1.081 204 I CA 1.964 63.268 61.300 0.006 0.000 1.353 204 I CB -0.467 37.537 38.000 0.006 0.000 1.054 204 I HN 0.545 nan 8.210 nan 0.000 0.407 205 T N -1.979 112.580 114.554 0.010 0.000 2.851 205 T HA 0.120 4.470 4.350 0.000 0.000 0.262 205 T C 1.622 176.329 174.700 0.011 0.000 1.043 205 T CA 0.797 62.903 62.100 0.011 0.000 1.140 205 T CB -0.061 68.817 68.868 0.016 0.000 0.872 205 T HN 0.545 nan 8.240 nan 0.000 0.446 206 G N 0.599 109.405 108.800 0.011 0.000 2.130 206 G HA2 0.167 4.127 3.960 0.000 0.000 0.216 206 G HA3 0.167 4.127 3.960 0.000 0.000 0.216 206 G C 0.237 175.144 174.900 0.012 0.000 0.999 206 G CA -0.127 44.978 45.100 0.010 0.000 0.686 206 G HN 1.086 nan 8.290 nan 0.000 0.515 207 G N -1.359 107.450 108.800 0.014 0.000 2.816 207 G HA2 0.660 4.620 3.960 0.000 0.000 0.288 207 G HA3 0.660 4.620 3.960 0.000 0.000 0.288 207 G C -0.557 174.352 174.900 0.015 0.000 1.334 207 G CA -0.687 44.423 45.100 0.016 0.000 0.978 207 G HN 0.326 nan 8.290 nan 0.000 0.493 208 Q N -0.533 119.276 119.800 0.015 0.000 2.286 208 Q HA 0.458 4.798 4.340 0.000 0.000 0.257 208 Q C -0.134 175.875 176.000 0.015 0.000 0.941 208 Q CA -0.156 55.654 55.803 0.013 0.000 0.912 208 Q CB 1.919 30.663 28.738 0.010 0.000 1.192 208 Q HN 0.257 nan 8.270 nan 0.000 0.410 209 V N 4.768 124.690 119.914 0.013 0.000 2.461 209 V HA 0.249 4.369 4.120 0.000 0.000 0.275 209 V C 0.632 176.731 176.094 0.009 0.000 1.047 209 V CA -0.346 61.963 62.300 0.014 0.000 0.955 209 V CB 1.007 32.837 31.823 0.013 0.000 0.988 209 V HN 0.732 nan 8.190 nan 0.000 0.471 210 R N 3.202 123.708 120.500 0.009 0.000 1.730 210 R HA 0.484 4.824 4.340 0.000 0.000 0.132 210 R C 0.191 176.490 176.300 -0.002 0.000 2.109 210 R CA -0.148 55.953 56.100 0.002 0.000 1.772 210 R CB -0.231 30.069 30.300 -0.000 0.000 1.311 210 R HN 0.482 nan 8.270 nan 0.000 0.482 211 L N 2.769 123.989 121.223 -0.007 0.000 2.426 211 L HA 0.271 4.611 4.340 0.000 0.000 0.271 211 L C -0.154 176.710 176.870 -0.011 0.000 1.169 211 L CA 0.007 54.840 54.840 -0.013 0.000 0.836 211 L CB 0.202 42.248 42.059 -0.022 0.000 1.112 211 L HN 0.079 nan 8.230 nan 0.000 0.465 212 R N 3.178 123.669 120.500 -0.014 0.000 2.513 212 R HA 0.583 4.923 4.340 0.000 0.000 0.283 212 R C -1.243 175.045 176.300 -0.021 0.000 1.535 212 R CA -0.144 55.947 56.100 -0.014 0.000 1.315 212 R CB 1.110 31.405 30.300 -0.008 0.000 1.163 212 R HN 0.487 nan 8.270 nan 0.000 0.573 213 I N 1.043 121.595 120.570 -0.031 0.000 3.102 213 I HA 0.445 4.615 4.170 0.000 0.000 0.310 213 I C -1.212 174.880 176.117 -0.041 0.000 1.246 213 I CA -1.377 59.903 61.300 -0.032 0.000 0.979 213 I CB 1.845 39.825 38.000 -0.033 0.000 1.267 213 I HN 0.464 nan 8.210 nan 0.000 0.451 214 L N 2.236 123.441 121.223 -0.030 0.000 2.466 214 L HA 0.664 5.004 4.340 0.000 0.000 0.257 214 L C -0.200 176.655 176.870 -0.025 0.000 1.189 214 L CA -0.115 54.713 54.840 -0.020 0.000 0.813 214 L CB 1.127 43.183 42.059 -0.005 0.000 1.118 214 L HN 0.637 nan 8.230 nan 0.000 0.471 215 S N 0.592 116.291 115.700 -0.003 0.000 2.451 215 S HA 0.328 4.798 4.470 0.000 0.000 0.301 215 S C 0.511 175.131 174.600 0.034 0.000 1.116 215 S CA -0.812 57.383 58.200 -0.009 0.000 1.093 215 S CB 0.915 64.082 63.200 -0.056 0.000 1.017 215 S HN 0.828 nan 8.310 nan 0.000 0.482 216 N N 2.643 121.354 118.700 0.018 0.000 2.515 216 N HA 0.009 4.749 4.740 0.000 0.000 0.185 216 N C 0.155 175.696 175.510 0.051 0.000 1.109 216 N CA 0.237 53.303 53.050 0.028 0.000 0.903 216 N CB -0.154 38.340 38.487 0.011 0.000 0.969 216 N HN 0.528 nan 8.380 nan 0.000 0.450 217 L N 1.592 122.851 121.223 0.060 0.000 2.423 217 L HA 0.301 4.641 4.340 0.000 0.000 0.249 217 L C 0.135 177.090 176.870 0.142 0.000 1.276 217 L CA -0.642 54.249 54.840 0.086 0.000 1.199 217 L CB -0.507 41.593 42.059 0.068 0.000 1.407 217 L HN -0.122 nan 8.230 nan 0.000 0.410 218 A N 2.313 125.208 122.820 0.125 0.000 3.030 218 A HA 0.170 4.490 4.320 0.000 0.000 0.273 218 A C 0.928 178.563 177.584 0.086 0.000 1.841 218 A CA 0.047 52.171 52.037 0.145 0.000 1.479 218 A CB -0.861 18.169 19.000 0.049 0.000 1.048 218 A HN 0.735 nan 8.150 nan 0.000 0.612 219 D N 0.629 121.145 120.400 0.193 0.000 2.336 219 D HA -0.042 4.598 4.640 0.000 0.000 0.229 219 D C 0.812 177.182 176.300 0.115 0.000 1.061 219 D CA 0.342 54.431 54.000 0.149 0.000 0.875 219 D CB -0.087 40.883 40.800 0.283 0.000 0.904 219 D HN 0.529 nan 8.370 nan 0.000 0.525 220 L N -1.057 120.212 121.223 0.078 0.000 2.664 220 L HA 0.257 4.597 4.340 0.000 0.000 0.233 220 L C 1.216 178.062 176.870 -0.039 0.000 1.113 220 L CA -0.256 54.584 54.840 0.001 0.000 0.896 220 L CB 0.451 42.456 42.059 -0.090 0.000 1.163 220 L HN -0.137 nan 8.230 nan 0.000 0.497 221 R N 1.521 121.992 120.500 -0.048 0.000 2.505 221 R HA 0.446 4.786 4.340 0.000 0.000 0.284 221 R C -1.231 175.014 176.300 -0.091 0.000 1.324 221 R CA -0.261 55.802 56.100 -0.062 0.000 1.432 221 R CB 0.232 30.499 30.300 -0.054 0.000 1.107 221 R HN 0.116 nan 8.270 nan 0.000 0.587 222 L N 2.251 123.417 121.223 -0.095 0.000 2.325 222 L HA 0.695 5.035 4.340 0.000 0.000 0.278 222 L C -0.040 176.772 176.870 -0.096 0.000 1.023 222 L CA -0.943 53.818 54.840 -0.132 0.000 0.811 222 L CB 1.942 43.920 42.059 -0.136 0.000 1.249 222 L HN 0.438 nan 8.230 nan 0.000 0.431 223 A N 3.533 126.290 122.820 -0.105 0.000 2.337 223 A HA 0.878 5.198 4.320 0.000 0.000 0.329 223 A C -0.590 176.951 177.584 -0.072 0.000 1.146 223 A CA -0.635 51.355 52.037 -0.078 0.000 0.800 223 A CB 1.033 19.985 19.000 -0.079 0.000 1.220 223 A HN 0.814 nan 8.150 nan 0.000 0.472 224 R N 0.239 120.708 120.500 -0.051 0.000 2.744 224 R HA 0.793 5.133 4.340 0.000 0.000 0.279 224 R C -0.838 175.446 176.300 -0.026 0.000 0.977 224 R CA -0.550 55.525 56.100 -0.041 0.000 0.906 224 R CB 2.513 32.794 30.300 -0.033 0.000 1.197 224 R HN 0.935 nan 8.270 nan 0.000 0.463 225 A N 1.767 124.574 122.820 -0.021 0.000 2.549 225 A HA 0.576 4.896 4.320 0.000 0.000 0.297 225 A C -1.446 176.147 177.584 0.016 0.000 1.061 225 A CA -0.697 51.353 52.037 0.021 0.000 0.690 225 A CB 2.155 21.171 19.000 0.027 0.000 1.287 225 A HN 0.647 nan 8.150 nan 0.000 0.402 226 Q N -0.409 119.431 119.800 0.066 0.000 2.421 226 Q HA 0.710 5.050 4.340 0.000 0.000 0.280 226 Q C -1.100 174.918 176.000 0.029 0.000 1.085 226 Q CA -0.977 54.827 55.803 0.001 0.000 0.807 226 Q CB 3.017 31.739 28.738 -0.027 0.000 1.405 226 Q HN 1.126 nan 8.270 nan 0.000 0.419 227 V N -1.836 118.045 119.914 -0.056 0.000 3.188 227 V HA 0.746 4.866 4.120 0.000 0.000 0.305 227 V C -1.271 174.776 176.094 -0.078 0.000 1.232 227 V CA -1.067 61.164 62.300 -0.114 0.000 1.043 227 V CB 2.391 34.156 31.823 -0.098 0.000 1.068 227 V HN 0.770 nan 8.190 nan 0.000 0.439 228 R N 1.576 122.011 120.500 -0.108 0.000 2.574 228 R HA 0.775 5.115 4.340 0.000 0.000 0.288 228 R C -1.992 174.235 176.300 -0.122 0.000 1.004 228 R CA -0.664 55.391 56.100 -0.075 0.000 0.895 228 R CB 1.834 32.080 30.300 -0.091 0.000 1.191 228 R HN 0.794 nan 8.270 nan 0.000 0.444 229 I N 2.967 123.490 120.570 -0.079 0.000 2.499 229 I HA 0.232 4.402 4.170 0.000 0.000 0.288 229 I C 0.132 176.162 176.117 -0.145 0.000 1.048 229 I CA -0.565 60.663 61.300 -0.119 0.000 1.062 229 I CB 2.009 39.969 38.000 -0.068 0.000 1.238 229 I HN 0.566 nan 8.210 nan 0.000 0.426 230 T N 8.141 122.564 114.554 -0.219 0.000 2.910 230 T HA 0.213 4.563 4.350 0.000 0.000 0.293 230 T C -1.239 173.434 174.700 -0.044 0.000 1.015 230 T CA -0.981 61.000 62.100 -0.198 0.000 1.094 230 T CB 1.351 70.071 68.868 -0.247 0.000 0.968 230 T HN 0.441 nan 8.240 nan 0.000 0.521 231 P HA -0.149 nan 4.420 nan 0.000 0.216 231 P C 1.318 178.630 177.300 0.021 0.000 1.150 231 P CA 1.112 64.236 63.100 0.039 0.000 0.837 231 P CB 0.265 32.008 31.700 0.071 0.000 0.786 232 Q N -0.090 119.721 119.800 0.019 0.000 2.291 232 Q HA -0.150 4.190 4.340 0.000 0.000 0.206 232 Q C 2.196 178.194 176.000 -0.003 0.000 0.976 232 Q CA 1.255 57.065 55.803 0.012 0.000 0.875 232 Q CB -0.383 28.362 28.738 0.011 0.000 0.927 232 Q HN 0.559 nan 8.270 nan 0.000 0.450 233 Q N -0.409 119.374 119.800 -0.028 0.000 2.269 233 Q HA 0.053 4.394 4.340 0.000 0.000 0.201 233 Q C 1.771 177.751 176.000 -0.033 0.000 0.946 233 Q CA 0.467 56.244 55.803 -0.043 0.000 0.877 233 Q CB 0.325 29.009 28.738 -0.090 0.000 0.963 233 Q HN 0.334 nan 8.270 nan 0.000 0.472 234 L N 0.390 121.598 121.223 -0.026 0.000 2.585 234 L HA 0.120 4.460 4.340 0.000 0.000 0.226 234 L C 0.676 177.563 176.870 0.028 0.000 1.113 234 L CA -0.115 54.714 54.840 -0.018 0.000 0.876 234 L CB 0.241 42.276 42.059 -0.041 0.000 1.072 234 L HN 0.111 nan 8.230 nan 0.000 0.468 235 E N 1.738 121.961 120.200 0.039 0.000 2.463 235 E HA -0.029 4.321 4.350 0.000 0.000 0.248 235 E C 0.713 177.359 176.600 0.077 0.000 1.106 235 E CA -0.070 56.367 56.400 0.063 0.000 0.946 235 E CB 0.467 30.197 29.700 0.049 0.000 0.971 235 E HN 0.246 nan 8.360 nan 0.000 0.478 236 T N 1.310 115.930 114.554 0.109 0.000 4.022 236 T HA 0.404 4.754 4.350 0.000 0.000 0.347 236 T C 1.213 175.964 174.700 0.085 0.000 1.227 236 T CA 0.019 62.187 62.100 0.112 0.000 0.898 236 T CB 0.213 69.180 68.868 0.166 0.000 2.033 236 T HN 0.366 nan 8.240 nan 0.000 0.525 237 A N 0.903 123.769 122.820 0.076 0.000 1.864 237 A HA 0.189 4.509 4.320 0.000 0.000 0.213 237 A C 2.097 179.669 177.584 -0.020 0.000 1.266 237 A CA 0.754 52.806 52.037 0.026 0.000 0.612 237 A CB -0.917 18.092 19.000 0.015 0.000 0.940 237 A HN 0.783 nan 8.150 nan 0.000 0.463 238 E N -1.015 119.135 120.200 -0.082 0.000 2.442 238 E HA 0.188 4.538 4.350 0.000 0.000 0.195 238 E C -0.697 175.655 176.600 -0.414 0.000 1.030 238 E CA 0.151 56.387 56.400 -0.274 0.000 0.869 238 E CB -0.046 29.400 29.700 -0.424 0.000 0.857 238 E HN 0.533 nan 8.360 nan 0.000 0.505 239 F N 1.484 121.439 119.950 0.009 0.000 2.426 239 F HA 0.266 4.793 4.527 0.000 0.000 0.348 239 F C 0.655 176.461 175.800 0.008 0.000 1.124 239 F CA -1.257 56.748 58.000 0.008 0.000 1.008 239 F CB 1.308 40.313 39.000 0.008 0.000 1.139 239 F HN -0.175 nan 8.300 nan 0.000 0.452 240 S N 1.574 117.383 115.700 0.183 0.000 2.589 240 S HA 0.234 4.704 4.470 0.000 0.000 0.265 240 S C 1.329 175.997 174.600 0.113 0.000 1.342 240 S CA -0.319 57.948 58.200 0.112 0.000 1.005 240 S CB 1.242 64.490 63.200 0.080 0.000 0.909 240 S HN 0.845 nan 8.310 nan 0.000 0.555 241 G N 1.219 110.064 108.800 0.074 0.000 2.446 241 G HA2 -0.213 3.747 3.960 0.000 0.000 0.217 241 G HA3 -0.213 3.747 3.960 0.000 0.000 0.217 241 G C 1.362 176.292 174.900 0.051 0.000 1.168 241 G CA 0.800 45.934 45.100 0.056 0.000 0.771 241 G HN 0.875 nan 8.290 nan 0.000 0.551 242 E N 1.315 121.548 120.200 0.055 0.000 2.204 242 E HA -0.028 4.322 4.350 0.000 0.000 0.195 242 E C 2.582 179.213 176.600 0.051 0.000 0.990 242 E CA 1.032 57.462 56.400 0.051 0.000 0.821 242 E CB -0.697 29.032 29.700 0.048 0.000 0.750 242 E HN 0.403 nan 8.360 nan 0.000 0.477 243 A N 1.486 124.351 122.820 0.075 0.000 2.066 243 A HA -0.003 4.317 4.320 0.000 0.000 0.218 243 A C 2.483 180.084 177.584 0.029 0.000 1.157 243 A CA 0.917 53.008 52.037 0.091 0.000 0.670 243 A CB -0.358 18.757 19.000 0.191 0.000 0.804 243 A HN 0.148 nan 8.150 nan 0.000 0.453 244 V N 0.360 120.277 119.914 0.005 0.000 2.535 244 V HA -0.140 3.980 4.120 0.000 0.000 0.246 244 V C 2.365 178.418 176.094 -0.068 0.000 1.045 244 V CA 1.127 63.379 62.300 -0.080 0.000 1.058 244 V CB -0.519 31.264 31.823 -0.067 0.000 0.689 244 V HN 0.483 nan 8.190 nan 0.000 0.461 245 I N 0.276 120.831 120.570 -0.025 0.000 2.142 245 I HA -0.169 4.001 4.170 0.000 0.000 0.240 245 I C 2.658 178.776 176.117 0.002 0.000 1.078 245 I CA 1.536 62.829 61.300 -0.012 0.000 1.343 245 I CB -1.242 36.774 38.000 0.026 0.000 1.046 245 I HN 0.357 nan 8.210 nan 0.000 0.405 246 E N 1.030 121.240 120.200 0.016 0.000 2.130 246 E HA -0.181 4.169 4.350 0.000 0.000 0.196 246 E C 2.282 178.888 176.600 0.011 0.000 0.998 246 E CA 1.425 57.841 56.400 0.026 0.000 0.806 246 E CB -0.661 29.057 29.700 0.030 0.000 0.738 246 E HN 0.582 nan 8.360 nan 0.000 0.459 247 G N 1.070 109.853 108.800 -0.028 0.000 2.408 247 G HA2 -0.189 3.771 3.960 0.000 0.000 0.217 247 G HA3 -0.189 3.771 3.960 0.000 0.000 0.217 247 G C 1.752 176.631 174.900 -0.035 0.000 1.150 247 G CA 0.454 45.522 45.100 -0.053 0.000 0.776 247 G HN 0.207 nan 8.290 nan 0.000 0.542 248 I N 0.308 120.845 120.570 -0.055 0.000 2.353 248 I HA -0.049 4.121 4.170 0.000 0.000 0.248 248 I C 2.577 178.715 176.117 0.035 0.000 1.119 248 I CA 0.512 61.766 61.300 -0.077 0.000 1.417 248 I CB -0.108 37.769 38.000 -0.204 0.000 1.078 248 I HN 0.125 nan 8.210 nan 0.000 0.421 249 L N 0.125 121.399 121.223 0.085 0.000 2.141 249 L HA -0.204 4.136 4.340 0.000 0.000 0.209 249 L C 2.029 179.009 176.870 0.183 0.000 1.094 249 L CA 1.061 56.017 54.840 0.193 0.000 0.763 249 L CB -0.680 41.477 42.059 0.163 0.000 0.908 249 L HN 0.245 nan 8.230 nan 0.000 0.437 250 D N 0.406 120.871 120.400 0.109 0.000 2.117 250 D HA -0.132 4.508 4.640 0.000 0.000 0.198 250 D C 2.246 178.633 176.300 0.146 0.000 0.982 250 D CA 1.467 55.522 54.000 0.091 0.000 0.828 250 D CB 0.068 40.893 40.800 0.043 0.000 0.967 250 D HN 0.281 nan 8.370 nan 0.000 0.464 251 A N 0.117 123.031 122.820 0.158 0.000 1.898 251 A HA -0.208 4.112 4.320 0.000 0.000 0.216 251 A C 2.178 179.901 177.584 0.232 0.000 1.181 251 A CA 1.206 53.374 52.037 0.219 0.000 0.620 251 A CB -0.936 18.154 19.000 0.150 0.000 0.819 251 A HN 0.335 nan 8.150 nan 0.000 0.442 252 Y N 0.814 121.194 120.300 0.135 0.000 2.145 252 Y HA -0.064 4.486 4.550 0.000 0.000 0.286 252 Y C 2.609 178.561 175.900 0.087 0.000 1.145 252 Y CA 1.160 59.342 58.100 0.137 0.000 1.148 252 Y CB -0.872 37.746 38.460 0.264 0.000 0.981 252 Y HN 0.288 nan 8.280 nan 0.000 0.507 253 A N 0.557 123.265 122.820 -0.187 0.000 1.917 253 A HA -0.245 4.075 4.320 0.000 0.000 0.219 253 A C 2.229 179.769 177.584 -0.073 0.000 1.182 253 A CA 1.774 53.666 52.037 -0.241 0.000 0.633 253 A CB -1.637 17.344 19.000 -0.032 0.000 0.819 253 A HN 0.618 nan 8.150 nan 0.000 0.448 254 F N 1.132 121.007 119.950 -0.125 0.000 2.126 254 F HA -0.112 4.415 4.527 0.000 0.000 0.299 254 F C 2.475 178.229 175.800 -0.076 0.000 1.096 254 F CA 0.965 58.928 58.000 -0.062 0.000 1.255 254 F CB -0.951 38.044 39.000 -0.010 0.000 0.997 254 F HN 0.264 nan 8.300 nan 0.000 0.479 255 A N 0.072 122.772 122.820 -0.200 0.000 1.968 255 A HA 0.160 4.480 4.320 0.000 0.000 0.217 255 A C 2.362 179.790 177.584 -0.259 0.000 1.169 255 A CA 1.253 53.082 52.037 -0.347 0.000 0.638 255 A CB -1.341 17.319 19.000 -0.568 0.000 0.812 255 A HN 0.404 nan 8.150 nan 0.000 0.446 256 A N -1.129 121.495 122.820 -0.326 0.000 2.172 256 A HA 0.190 4.510 4.320 0.000 0.000 0.216 256 A C 1.957 179.537 177.584 -0.007 0.000 1.154 256 A CA 1.627 53.514 52.037 -0.250 0.000 0.701 256 A CB -0.312 18.385 19.000 -0.504 0.000 0.789 256 A HN 0.762 nan 8.150 nan 0.000 0.465 257 V N -1.166 118.779 119.914 0.052 0.000 3.484 257 V HA 0.168 4.288 4.120 0.000 0.000 0.252 257 V C -0.573 175.676 176.094 0.259 0.000 1.282 257 V CA 0.766 63.165 62.300 0.164 0.000 1.104 257 V CB 0.516 32.392 31.823 0.089 0.000 0.868 257 V HN 0.452 nan 8.190 nan 0.000 0.457 258 D N -0.502 120.017 120.400 0.198 0.000 2.425 258 D HA 0.399 5.039 4.640 0.000 0.000 0.240 258 D C -1.958 174.395 176.300 0.090 0.000 1.080 258 D CA -2.177 51.952 54.000 0.215 0.000 0.836 258 D CB 2.262 43.260 40.800 0.329 0.000 1.125 258 D HN 0.044 nan 8.370 nan 0.000 0.525 259 P HA -0.125 nan 4.420 nan 0.000 0.219 259 P C 0.740 177.980 177.300 -0.098 0.000 1.146 259 P CA 1.039 64.116 63.100 -0.039 0.000 0.808 259 P CB 0.059 31.660 31.700 -0.164 0.000 0.779 260 Y N -0.730 119.565 120.300 -0.008 0.000 2.274 260 Y HA -0.161 4.389 4.550 0.000 0.000 0.290 260 Y C 2.705 178.561 175.900 -0.073 0.000 1.145 260 Y CA 1.216 59.300 58.100 -0.027 0.000 1.203 260 Y CB -0.373 38.095 38.460 0.013 0.000 0.984 260 Y HN -0.150 nan 8.280 nan 0.000 0.533 261 R N 0.360 120.830 120.500 -0.050 0.000 2.112 261 R HA 0.090 4.430 4.340 0.000 0.000 0.216 261 R C 2.219 178.464 176.300 -0.093 0.000 1.080 261 R CA 1.093 57.035 56.100 -0.264 0.000 0.996 261 R CB -0.585 29.139 30.300 -0.960 0.000 0.902 261 R HN 0.131 nan 8.270 nan 0.000 0.449 262 A N 1.032 123.830 122.820 -0.035 0.000 1.883 262 A HA -0.120 4.200 4.320 0.000 0.000 0.217 262 A C 2.431 180.211 177.584 0.326 0.000 1.186 262 A CA 1.920 54.016 52.037 0.098 0.000 0.624 262 A CB -1.239 17.819 19.000 0.098 0.000 0.822 262 A HN 0.519 nan 8.150 nan 0.000 0.444 263 A N -1.006 122.003 122.820 0.314 0.000 1.917 263 A HA -0.143 4.177 4.320 0.000 0.000 0.219 263 A C 2.317 180.026 177.584 0.208 0.000 1.182 263 A CA 2.502 54.682 52.037 0.239 0.000 0.633 263 A CB -1.361 17.596 19.000 -0.071 0.000 0.819 263 A HN 0.474 nan 8.150 nan 0.000 0.448 264 T N -1.424 113.212 114.554 0.136 0.000 2.821 264 T HA -0.132 4.218 4.350 0.000 0.000 0.267 264 T C 1.885 176.671 174.700 0.143 0.000 1.046 264 T CA 1.253 63.420 62.100 0.112 0.000 1.139 264 T CB -0.468 68.441 68.868 0.069 0.000 0.871 264 T HN 0.668 nan 8.240 nan 0.000 0.454 265 H N 1.708 120.814 119.070 0.061 0.000 2.321 265 H HA -0.015 4.541 4.556 0.000 0.000 0.300 265 H C 1.864 177.250 175.328 0.096 0.000 1.087 265 H CA 1.636 57.726 56.048 0.069 0.000 1.319 265 H CB -0.175 29.623 29.762 0.060 0.000 1.379 265 H HN 0.443 nan 8.280 nan 0.000 0.501 266 N N 0.178 119.033 118.700 0.259 0.000 2.331 266 N HA -0.108 4.632 4.740 0.000 0.000 0.180 266 N C 2.083 177.670 175.510 0.129 0.000 1.019 266 N CA 0.093 53.241 53.050 0.163 0.000 0.881 266 N CB 0.198 38.787 38.487 0.170 0.000 0.972 266 N HN 0.180 nan 8.380 nan 0.000 0.435 267 K N 1.696 122.203 120.400 0.179 0.000 2.057 267 K HA -0.073 4.247 4.320 0.000 0.000 0.206 267 K C 1.989 178.630 176.600 0.068 0.000 1.050 267 K CA 1.270 57.646 56.287 0.147 0.000 0.935 267 K CB -0.551 32.022 32.500 0.120 0.000 0.715 267 K HN 0.181 nan 8.250 nan 0.000 0.439 268 G N 1.737 110.556 108.800 0.033 0.000 2.442 268 G HA2 -0.221 3.739 3.960 0.000 0.000 0.219 268 G HA3 -0.221 3.739 3.960 0.000 0.000 0.219 268 G C 1.737 176.630 174.900 -0.013 0.000 1.141 268 G CA 0.912 46.008 45.100 -0.007 0.000 0.763 268 G HN 0.322 nan 8.290 nan 0.000 0.554 269 I N 0.590 121.149 120.570 -0.018 0.000 2.163 269 I HA -0.132 4.038 4.170 0.000 0.000 0.240 269 I C 2.573 178.687 176.117 -0.005 0.000 1.081 269 I CA 0.854 62.147 61.300 -0.011 0.000 1.353 269 I CB -0.197 37.796 38.000 -0.012 0.000 1.054 269 I HN 0.102 nan 8.210 nan 0.000 0.407 270 M N 0.175 119.779 119.600 0.008 0.000 2.549 270 M HA -0.108 4.372 4.480 0.000 0.000 0.260 270 M C 1.613 177.915 176.300 0.003 0.000 1.076 270 M CA 1.063 56.373 55.300 0.016 0.000 1.090 270 M CB -1.720 30.924 32.600 0.072 0.000 1.418 270 M HN 0.224 nan 8.290 nan 0.000 0.486 271 N N 0.863 119.564 118.700 0.002 0.000 2.289 271 N HA -0.064 4.676 4.740 0.000 0.000 0.184 271 N C 1.774 177.267 175.510 -0.028 0.000 1.016 271 N CA 1.479 54.522 53.050 -0.012 0.000 0.872 271 N CB -0.183 38.304 38.487 -0.001 0.000 0.973 271 N HN 0.502 nan 8.380 nan 0.000 0.433 272 G N -0.741 108.043 108.800 -0.026 0.000 2.709 272 G HA2 0.098 4.058 3.960 0.000 0.000 0.208 272 G HA3 0.098 4.058 3.960 0.000 0.000 0.208 272 G C 1.585 176.437 174.900 -0.081 0.000 1.129 272 G CA -0.152 44.920 45.100 -0.045 0.000 0.793 272 G HN 0.197 nan 8.290 nan 0.000 0.524 273 I N 1.004 121.535 120.570 -0.065 0.000 2.333 273 I HA -0.032 4.138 4.170 0.000 0.000 0.246 273 I C 2.087 178.169 176.117 -0.059 0.000 1.106 273 I CA 0.831 62.088 61.300 -0.071 0.000 1.411 273 I CB -0.066 37.904 38.000 -0.050 0.000 1.082 273 I HN -0.026 nan 8.210 nan 0.000 0.420 274 D N 1.180 121.555 120.400 -0.042 0.000 2.104 274 D HA -0.130 4.510 4.640 0.000 0.000 0.194 274 D C -0.507 175.735 176.300 -0.096 0.000 0.994 274 D CA 1.514 55.488 54.000 -0.043 0.000 0.830 274 D CB -1.647 39.110 40.800 -0.072 0.000 0.959 274 D HN 0.205 nan 8.370 nan 0.000 0.452 275 P HA -0.136 nan 4.420 nan 0.000 0.216 275 P C 1.634 178.844 177.300 -0.150 0.000 1.153 275 P CA 0.754 63.766 63.100 -0.147 0.000 0.858 275 P CB 0.036 31.655 31.700 -0.135 0.000 0.789 276 L N -1.139 119.999 121.223 -0.143 0.000 2.056 276 L HA -0.118 4.222 4.340 0.000 0.000 0.207 276 L C 1.997 178.807 176.870 -0.099 0.000 1.078 276 L CA 1.847 56.596 54.840 -0.151 0.000 0.749 276 L CB -1.125 40.834 42.059 -0.167 0.000 0.901 276 L HN -0.145 nan 8.230 nan 0.000 0.433 277 I N -0.863 119.673 120.570 -0.057 0.000 2.226 277 I HA -0.222 3.948 4.170 0.000 0.000 0.245 277 I C 2.540 178.674 176.117 0.029 0.000 1.100 277 I CA 1.231 62.532 61.300 0.003 0.000 1.374 277 I CB -1.368 36.668 38.000 0.060 0.000 1.057 277 I HN 0.108 nan 8.210 nan 0.000 0.413 278 V N 1.344 121.263 119.914 0.008 0.000 2.515 278 V HA -0.193 3.927 4.120 0.000 0.000 0.250 278 V C 2.818 178.894 176.094 -0.031 0.000 1.058 278 V CA 1.503 63.815 62.300 0.019 0.000 1.064 278 V CB -1.124 30.644 31.823 -0.092 0.000 0.675 278 V HN 0.437 nan 8.190 nan 0.000 0.461 279 A N 0.905 123.676 122.820 -0.082 0.000 1.902 279 A HA -0.207 4.113 4.320 0.000 0.000 0.217 279 A C 2.301 179.856 177.584 -0.048 0.000 1.181 279 A CA 2.317 54.294 52.037 -0.100 0.000 0.623 279 A CB -0.857 18.014 19.000 -0.215 0.000 0.818 279 A HN 0.624 nan 8.150 nan 0.000 0.443 280 T N -3.843 110.687 114.554 -0.040 0.000 3.219 280 T HA 0.408 4.758 4.350 0.000 0.000 0.249 280 T C 1.210 175.908 174.700 -0.003 0.000 1.099 280 T CA 0.915 63.005 62.100 -0.018 0.000 0.988 280 T CB -0.228 68.627 68.868 -0.023 0.000 0.999 280 T HN 1.707 nan 8.240 nan 0.000 0.550 281 G N 1.483 110.281 108.800 -0.004 0.000 2.176 281 G HA2 -0.247 3.713 3.960 0.000 0.000 0.252 281 G HA3 -0.247 3.713 3.960 0.000 0.000 0.252 281 G C -0.091 174.840 174.900 0.051 0.000 1.024 281 G CA -0.224 44.892 45.100 0.025 0.000 0.755 281 G HN 0.592 nan 8.290 nan 0.000 0.507 282 N N 0.320 119.055 118.700 0.058 0.000 2.489 282 N HA 0.314 5.054 4.740 0.000 0.000 0.284 282 N C -0.540 175.022 175.510 0.087 0.000 1.158 282 N CA -0.536 52.546 53.050 0.053 0.000 0.965 282 N CB 0.952 39.459 38.487 0.034 0.000 1.195 282 N HN 0.185 nan 8.380 nan 0.000 0.506 283 D N 1.266 121.680 120.400 0.022 0.000 2.363 283 D HA -0.053 4.587 4.640 0.000 0.000 0.263 283 D C 0.925 177.234 176.300 0.015 0.000 1.258 283 D CA -0.193 53.774 54.000 -0.055 0.000 0.907 283 D CB 0.303 41.042 40.800 -0.102 0.000 1.107 283 D HN 0.557 nan 8.370 nan 0.000 0.495 284 W N 5.088 126.380 121.300 -0.013 0.000 2.584 284 W HA 0.090 4.750 4.660 0.000 0.000 0.264 284 W C 1.565 178.085 176.519 0.002 0.000 1.264 284 W CA -0.036 57.303 57.345 -0.010 0.000 1.306 284 W CB -0.224 29.229 29.460 -0.013 0.000 1.110 284 W HN 0.268 nan 8.180 nan 0.000 0.606 285 R N 1.069 121.334 120.500 -0.391 0.000 2.075 285 R HA 0.010 4.350 4.340 0.000 0.000 0.232 285 R C 2.649 178.909 176.300 -0.066 0.000 1.126 285 R CA 1.913 57.874 56.100 -0.231 0.000 0.963 285 R CB -0.930 29.140 30.300 -0.384 0.000 0.858 285 R HN 0.274 nan 8.270 nan 0.000 0.435 286 A N 0.418 123.190 122.820 -0.080 0.000 1.933 286 A HA -0.120 4.200 4.320 0.000 0.000 0.218 286 A C 2.260 179.854 177.584 0.017 0.000 1.175 286 A CA 1.491 53.510 52.037 -0.030 0.000 0.628 286 A CB -0.497 18.479 19.000 -0.040 0.000 0.814 286 A HN 0.131 nan 8.150 nan 0.000 0.444 287 V N 0.003 119.942 119.914 0.042 0.000 2.453 287 V HA -0.166 3.954 4.120 0.000 0.000 0.247 287 V C 2.492 178.638 176.094 0.086 0.000 1.048 287 V CA 1.859 64.191 62.300 0.053 0.000 1.049 287 V CB -0.628 31.230 31.823 0.059 0.000 0.672 287 V HN 0.518 nan 8.190 nan 0.000 0.457 288 E N 0.525 120.810 120.200 0.142 0.000 2.047 288 E HA -0.164 4.186 4.350 0.000 0.000 0.191 288 E C 2.405 179.157 176.600 0.253 0.000 0.987 288 E CA 1.470 58.010 56.400 0.234 0.000 0.799 288 E CB -0.357 29.501 29.700 0.262 0.000 0.752 288 E HN 0.550 nan 8.360 nan 0.000 0.449 289 A N 1.120 124.029 122.820 0.147 0.000 1.902 289 A HA -0.102 4.218 4.320 0.000 0.000 0.217 289 A C 2.457 180.117 177.584 0.127 0.000 1.181 289 A CA 1.982 54.091 52.037 0.120 0.000 0.623 289 A CB -1.002 18.030 19.000 0.053 0.000 0.818 289 A HN 0.341 nan 8.150 nan 0.000 0.443 290 G N -0.818 108.037 108.800 0.092 0.000 2.403 290 G HA2 0.098 4.058 3.960 0.000 0.000 0.216 290 G HA3 0.098 4.058 3.960 0.000 0.000 0.216 290 G C 1.717 176.670 174.900 0.088 0.000 1.154 290 G CA 1.310 46.457 45.100 0.077 0.000 0.784 290 G HN 0.748 nan 8.290 nan 0.000 0.538 291 A N 0.833 123.692 122.820 0.065 0.000 1.845 291 A HA -0.063 4.257 4.320 0.000 0.000 0.215 291 A C 2.118 179.718 177.584 0.027 0.000 1.195 291 A CA 1.962 54.000 52.037 0.002 0.000 0.616 291 A CB -0.821 18.130 19.000 -0.082 0.000 0.832 291 A HN 0.465 nan 8.150 nan 0.000 0.443 292 H N -0.626 118.532 119.070 0.146 0.000 2.357 292 H HA 0.125 4.681 4.556 0.000 0.000 0.301 292 H C 2.391 177.839 175.328 0.200 0.000 1.082 292 H CA 1.422 57.596 56.048 0.210 0.000 1.342 292 H CB -0.102 29.791 29.762 0.218 0.000 1.389 292 H HN 0.521 nan 8.280 nan 0.000 0.511 293 A N 0.116 123.095 122.820 0.265 0.000 2.019 293 A HA -0.223 4.097 4.320 0.000 0.000 0.219 293 A C 2.004 179.688 177.584 0.165 0.000 1.164 293 A CA 1.387 53.536 52.037 0.187 0.000 0.644 293 A CB -0.802 18.280 19.000 0.137 0.000 0.805 293 A HN 0.563 nan 8.150 nan 0.000 0.449 294 Y N 0.448 120.769 120.300 0.036 0.000 2.314 294 Y HA 0.051 4.601 4.550 0.000 0.000 0.293 294 Y C 2.553 178.428 175.900 -0.042 0.000 1.129 294 Y CA 0.668 58.767 58.100 -0.001 0.000 1.201 294 Y CB -0.407 38.047 38.460 -0.010 0.000 0.999 294 Y HN 0.311 nan 8.280 nan 0.000 0.541 295 A N -0.421 122.385 122.820 -0.023 0.000 1.978 295 A HA -0.250 4.070 4.320 0.000 0.000 0.220 295 A C 1.741 179.142 177.584 -0.306 0.000 1.170 295 A CA 1.598 53.480 52.037 -0.259 0.000 0.636 295 A CB -1.545 17.155 19.000 -0.499 0.000 0.810 295 A HN 0.696 nan 8.150 nan 0.000 0.448 296 C N -0.772 118.448 119.300 -0.134 0.000 2.429 296 C HA 0.608 5.068 4.460 0.000 0.000 0.310 296 C C 1.681 176.636 174.990 -0.057 0.000 1.446 296 C CA -0.303 58.675 59.018 -0.067 0.000 1.747 296 C CB -1.472 26.322 27.740 0.090 0.000 2.865 296 C HN 0.663 nan 8.230 nan 0.000 0.554 297 R N 1.144 121.556 120.500 -0.147 0.000 2.148 297 R HA -0.034 4.306 4.340 0.000 0.000 0.223 297 R C 1.301 177.548 176.300 -0.088 0.000 1.088 297 R CA 1.775 57.794 56.100 -0.136 0.000 0.985 297 R CB -0.576 29.556 30.300 -0.280 0.000 0.880 297 R HN 0.599 nan 8.270 nan 0.000 0.451 298 S N -0.270 115.382 115.700 -0.081 0.000 2.602 298 S HA 0.304 4.774 4.470 0.000 0.000 0.246 298 S C 1.049 175.660 174.600 0.018 0.000 1.009 298 S CA -0.187 57.993 58.200 -0.033 0.000 1.052 298 S CB 0.441 63.619 63.200 -0.036 0.000 0.778 298 S HN 0.628 nan 8.310 nan 0.000 0.455 299 G N 1.118 109.933 108.800 0.026 0.000 2.168 299 G HA2 -0.274 3.686 3.960 0.000 0.000 0.257 299 G HA3 -0.274 3.686 3.960 0.000 0.000 0.257 299 G C -0.099 174.881 174.900 0.134 0.000 0.997 299 G CA 0.563 45.699 45.100 0.059 0.000 0.708 299 G HN 0.905 nan 8.290 nan 0.000 0.520 300 H N -1.870 117.199 119.070 -0.002 0.000 3.083 300 H HA 0.312 4.868 4.556 0.000 0.000 0.339 300 H C -1.168 174.173 175.328 0.021 0.000 1.020 300 H CA -0.825 55.233 56.048 0.017 0.000 1.360 300 H CB 1.093 30.852 29.762 -0.004 0.000 1.811 300 H HN 0.139 nan 8.280 nan 0.000 0.493 301 Y N 4.823 124.866 120.300 -0.429 0.000 2.650 301 Y HA 0.336 4.886 4.550 0.000 0.000 0.342 301 Y C 0.137 175.752 175.900 -0.475 0.000 1.110 301 Y CA 1.342 59.236 58.100 -0.344 0.000 1.438 301 Y CB 0.128 38.442 38.460 -0.244 0.000 1.181 301 Y HN 0.718 nan 8.280 nan 0.000 0.526 302 G N 2.734 111.133 108.800 -0.668 0.000 3.176 302 G HA2 0.314 4.274 3.960 0.000 0.000 0.272 302 G HA3 0.314 4.274 3.960 0.000 0.000 0.272 302 G C -1.180 173.488 174.900 -0.387 0.000 1.349 302 G CA -1.016 43.832 45.100 -0.420 0.000 0.953 302 G HN 0.510 nan 8.290 nan 0.000 0.559 303 S N -1.038 114.549 115.700 -0.188 0.000 2.549 303 S HA 0.134 4.604 4.470 0.000 0.000 0.286 303 S C 1.477 176.085 174.600 0.013 0.000 1.314 303 S CA -0.464 57.705 58.200 -0.053 0.000 1.062 303 S CB 0.335 63.568 63.200 0.055 0.000 0.865 303 S HN 0.380 nan 8.310 nan 0.000 0.498 304 L N 3.236 124.507 121.223 0.080 0.000 2.209 304 L HA 0.083 4.423 4.340 0.000 0.000 0.207 304 L C 1.449 178.367 176.870 0.079 0.000 1.094 304 L CA 0.613 55.492 54.840 0.066 0.000 0.790 304 L CB -0.299 41.786 42.059 0.044 0.000 0.932 304 L HN 0.726 nan 8.230 nan 0.000 0.447 305 T N -2.699 111.938 114.554 0.139 0.000 2.912 305 T HA 0.481 4.831 4.350 0.000 0.000 0.280 305 T C -0.000 174.635 174.700 -0.109 0.000 0.989 305 T CA -0.492 61.609 62.100 0.002 0.000 0.995 305 T CB 1.787 70.702 68.868 0.079 0.000 1.077 305 T HN 0.132 nan 8.240 nan 0.000 0.531 306 T N -1.271 112.981 114.554 -0.503 0.000 2.886 306 T HA 0.612 4.962 4.350 0.000 0.000 0.292 306 T C -1.770 172.239 174.700 -1.151 0.000 1.012 306 T CA -0.905 60.729 62.100 -0.777 0.000 0.982 306 T CB 0.888 69.510 68.868 -0.411 0.000 1.018 306 T HN 0.792 nan 8.240 nan 0.000 0.451 307 W N 1.361 122.049 121.300 -1.020 0.000 2.683 307 W HA 0.656 5.316 4.660 0.000 0.000 0.329 307 W C 0.075 176.418 176.519 -0.292 0.000 1.037 307 W CA -0.503 56.564 57.345 -0.464 0.000 1.232 307 W CB 1.806 31.112 29.460 -0.257 0.000 1.390 307 W HN 0.796 nan 8.180 nan 0.000 0.465 308 E N 1.262 121.507 120.200 0.076 0.000 2.445 308 E HA 0.459 4.809 4.350 0.000 0.000 0.273 308 E C -1.418 175.253 176.600 0.119 0.000 0.961 308 E CA -1.509 54.944 56.400 0.087 0.000 0.807 308 E CB 2.708 32.419 29.700 0.019 0.000 1.362 308 E HN 0.167 nan 8.360 nan 0.000 0.453 309 K N 2.071 122.528 120.400 0.095 0.000 2.450 309 K HA 0.143 4.463 4.320 0.000 0.000 0.257 309 K C -1.078 175.554 176.600 0.054 0.000 0.953 309 K CA -0.584 55.754 56.287 0.086 0.000 0.844 309 K CB 0.748 33.295 32.500 0.078 0.000 1.103 309 K HN 0.492 nan 8.250 nan 0.000 0.429 310 D N 2.611 123.041 120.400 0.049 0.000 2.447 310 D HA -0.038 4.603 4.640 0.000 0.000 0.265 310 D C 0.980 177.269 176.300 -0.019 0.000 1.250 310 D CA -0.166 53.843 54.000 0.016 0.000 1.046 310 D CB 0.392 41.205 40.800 0.022 0.000 1.095 310 D HN 0.620 nan 8.370 nan 0.000 0.555 311 N N 0.585 119.266 118.700 -0.031 0.000 2.094 311 N HA -0.239 4.501 4.740 0.000 0.000 0.191 311 N C 0.677 176.128 175.510 -0.097 0.000 1.023 311 N CA 1.042 54.063 53.050 -0.048 0.000 0.857 311 N CB -0.784 37.681 38.487 -0.038 0.000 1.013 311 N HN 0.401 nan 8.380 nan 0.000 0.426 312 N N 0.631 119.227 118.700 -0.174 0.000 2.521 312 N HA 0.025 4.765 4.740 0.000 0.000 0.188 312 N C 0.858 176.130 175.510 -0.397 0.000 1.146 312 N CA 0.901 53.739 53.050 -0.354 0.000 0.893 312 N CB -0.055 38.067 38.487 -0.608 0.000 0.975 312 N HN 0.604 nan 8.380 nan 0.000 0.451 313 G N 0.675 109.368 108.800 -0.177 0.000 2.160 313 G HA2 -0.272 3.688 3.960 0.000 0.000 0.251 313 G HA3 -0.272 3.688 3.960 0.000 0.000 0.251 313 G C -0.272 174.646 174.900 0.030 0.000 1.008 313 G CA 0.166 45.226 45.100 -0.066 0.000 0.724 313 G HN 0.570 nan 8.290 nan 0.000 0.514 314 H N -1.477 117.603 119.070 0.018 0.000 2.483 314 H HA 0.533 5.089 4.556 0.000 0.000 0.338 314 H C 0.134 175.485 175.328 0.039 0.000 1.152 314 H CA -1.105 54.954 56.048 0.019 0.000 1.264 314 H CB 1.783 31.549 29.762 0.007 0.000 1.510 314 H HN 0.178 nan 8.280 nan 0.000 0.530 315 L N 3.916 125.248 121.223 0.181 0.000 2.281 315 L HA 0.220 4.560 4.340 0.000 0.000 0.285 315 L C -0.730 176.258 176.870 0.196 0.000 1.074 315 L CA -0.354 54.593 54.840 0.179 0.000 0.817 315 L CB 0.397 42.544 42.059 0.146 0.000 1.168 315 L HN 0.431 nan 8.230 nan 0.000 0.434 316 V N 2.568 122.590 119.914 0.179 0.000 2.495 316 V HA 1.028 5.148 4.120 0.000 0.000 0.298 316 V C 0.142 176.173 176.094 -0.106 0.000 1.031 316 V CA -0.134 62.199 62.300 0.056 0.000 0.871 316 V CB 0.979 32.802 31.823 -0.001 0.000 0.988 316 V HN 0.916 nan 8.190 nan 0.000 0.432 317 G N 2.110 110.663 108.800 -0.413 0.000 2.571 317 G HA2 0.800 4.760 3.960 0.000 0.000 0.304 317 G HA3 0.800 4.760 3.960 0.000 0.000 0.304 317 G C -0.537 173.909 174.900 -0.757 0.000 1.314 317 G CA -0.100 44.245 45.100 -1.260 0.000 0.975 317 G HN 1.310 nan 8.290 nan 0.000 0.485 318 T N -1.699 112.422 114.554 -0.722 0.000 2.901 318 T HA 0.744 5.094 4.350 0.000 0.000 0.293 318 T C -1.455 173.068 174.700 -0.295 0.000 1.084 318 T CA -0.881 60.997 62.100 -0.369 0.000 1.008 318 T CB 2.054 70.774 68.868 -0.246 0.000 1.170 318 T HN 1.065 nan 8.240 nan 0.000 0.509 319 L N 0.962 122.094 121.223 -0.151 0.000 2.528 319 L HA 0.647 4.987 4.340 0.000 0.000 0.267 319 L C -1.086 175.751 176.870 -0.055 0.000 0.961 319 L CA -0.387 54.402 54.840 -0.085 0.000 0.866 319 L CB 1.678 43.703 42.059 -0.057 0.000 1.248 319 L HN 1.020 nan 8.230 nan 0.000 0.404 320 E N 6.478 126.664 120.200 -0.023 0.000 2.216 320 E HA 0.763 5.113 4.350 0.000 0.000 0.260 320 E C -1.337 175.230 176.600 -0.056 0.000 0.880 320 E CA -0.531 55.853 56.400 -0.027 0.000 0.765 320 E CB 1.225 30.939 29.700 0.023 0.000 1.174 320 E HN 0.741 nan 8.360 nan 0.000 0.417 321 M N 1.437 120.920 119.600 -0.194 0.000 2.682 321 M HA 0.589 5.069 4.480 0.000 0.000 0.272 321 M C -2.928 173.151 176.300 -0.368 0.000 1.232 321 M CA -2.297 52.786 55.300 -0.361 0.000 0.849 321 M CB 2.037 34.543 32.600 -0.156 0.000 1.695 321 M HN 0.041 nan 8.290 nan 0.000 0.481 322 P HA 0.300 nan 4.420 nan 0.000 0.271 322 P C -0.988 176.229 177.300 -0.139 0.000 1.216 322 P CA -0.011 62.939 63.100 -0.250 0.000 0.771 322 P CB 0.444 32.024 31.700 -0.200 0.000 0.864 323 M N 4.466 124.005 119.600 -0.102 0.000 2.353 323 M HA 0.223 4.703 4.480 0.000 0.000 0.218 323 M C -2.511 173.760 176.300 -0.049 0.000 1.044 323 M CA -2.268 52.990 55.300 -0.070 0.000 0.615 323 M CB 1.442 33.998 32.600 -0.073 0.000 1.531 323 M HN 0.068 nan 8.290 nan 0.000 0.378 324 P HA 0.188 nan 4.420 nan 0.000 0.244 324 P C -0.112 177.176 177.300 -0.020 0.000 1.769 324 P CA 0.112 63.198 63.100 -0.024 0.000 1.102 324 P CB 0.860 32.552 31.700 -0.013 0.000 1.937 325 V N 2.140 122.040 119.914 -0.024 0.000 3.096 325 V HA 0.909 5.029 4.120 0.000 0.000 0.319 325 V C 0.377 176.460 176.094 -0.018 0.000 1.103 325 V CA -0.426 61.863 62.300 -0.019 0.000 1.016 325 V CB 2.125 33.933 31.823 -0.026 0.000 1.090 325 V HN 0.569 nan 8.190 nan 0.000 0.449 326 G N 1.107 109.899 108.800 -0.014 0.000 2.708 326 G HA2 0.552 4.512 3.960 0.000 0.000 0.289 326 G HA3 0.552 4.512 3.960 0.000 0.000 0.289 326 G C -0.731 174.164 174.900 -0.008 0.000 1.416 326 G CA -0.411 44.682 45.100 -0.012 0.000 0.829 326 G HN 0.660 nan 8.290 nan 0.000 0.480 327 L N -0.065 121.154 121.223 -0.006 0.000 2.902 327 L HA 0.176 4.516 4.340 0.000 0.000 0.254 327 L C 1.831 178.702 176.870 0.002 0.000 1.115 327 L CA 0.335 55.173 54.840 -0.003 0.000 0.947 327 L CB 1.055 43.111 42.059 -0.005 0.000 1.369 327 L HN 0.458 nan 8.230 nan 0.000 0.538 328 V N -3.047 116.867 119.914 0.000 0.000 3.319 328 V HA 0.468 4.588 4.120 0.000 0.000 0.317 328 V C 1.122 177.218 176.094 0.003 0.000 1.411 328 V CA 0.030 62.331 62.300 0.002 0.000 1.112 328 V CB -0.540 31.283 31.823 -0.000 0.000 1.031 328 V HN 0.133 nan 8.190 nan 0.000 0.448 329 G N 0.880 109.682 108.800 0.004 0.000 2.504 329 G HA2 0.330 4.290 3.960 0.000 0.000 0.291 329 G HA3 0.330 4.290 3.960 0.000 0.000 0.291 329 G C 0.977 175.883 174.900 0.009 0.000 1.345 329 G CA 0.256 45.358 45.100 0.004 0.000 1.090 329 G HN 0.624 nan 8.290 nan 0.000 0.591 330 G N -0.669 108.136 108.800 0.009 0.000 2.473 330 G HA2 0.198 4.158 3.960 0.000 0.000 0.212 330 G HA3 0.198 4.158 3.960 0.000 0.000 0.212 330 G C 1.972 176.889 174.900 0.029 0.000 1.211 330 G CA 1.586 46.694 45.100 0.014 0.000 0.813 330 G HN 0.968 nan 8.290 nan 0.000 0.541 331 A N 0.635 123.478 122.820 0.039 0.000 2.014 331 A HA 0.046 4.366 4.320 0.000 0.000 0.218 331 A C 2.542 180.176 177.584 0.084 0.000 1.163 331 A CA 2.412 54.491 52.037 0.071 0.000 0.652 331 A CB -1.031 18.018 19.000 0.082 0.000 0.808 331 A HN 0.574 nan 8.150 nan 0.000 0.449 332 T N -2.298 112.288 114.554 0.055 0.000 2.977 332 T HA -0.103 4.247 4.350 0.000 0.000 0.271 332 T C 1.645 176.377 174.700 0.054 0.000 1.105 332 T CA 1.772 63.901 62.100 0.049 0.000 1.116 332 T CB -0.151 68.733 68.868 0.027 0.000 0.878 332 T HN 0.531 nan 8.240 nan 0.000 0.509 333 K N 0.668 121.098 120.400 0.051 0.000 2.244 333 K HA 0.050 4.370 4.320 0.000 0.000 0.200 333 K C 2.442 179.072 176.600 0.050 0.000 1.052 333 K CA 1.074 57.386 56.287 0.042 0.000 0.980 333 K CB 0.075 32.591 32.500 0.027 0.000 0.838 333 K HN 0.487 nan 8.250 nan 0.000 0.481 334 T N -1.798 112.792 114.554 0.061 0.000 3.054 334 T HA -0.012 4.338 4.350 0.000 0.000 0.259 334 T C 0.692 175.432 174.700 0.067 0.000 1.092 334 T CA 0.108 62.237 62.100 0.049 0.000 1.121 334 T CB -0.159 68.728 68.868 0.032 0.000 0.912 334 T HN 0.063 nan 8.240 nan 0.000 0.489 335 H N 2.802 121.886 119.070 0.023 0.000 2.782 335 H HA 0.303 4.859 4.556 0.000 0.000 0.285 335 H C -2.003 173.337 175.328 0.021 0.000 1.093 335 H CA -2.451 53.614 56.048 0.028 0.000 1.410 335 H CB 1.724 31.513 29.762 0.045 0.000 1.439 335 H HN 0.003 nan 8.280 nan 0.000 0.469 336 P HA -0.182 nan 4.420 nan 0.000 0.217 336 P C 1.596 179.007 177.300 0.185 0.000 1.151 336 P CA 1.226 64.397 63.100 0.118 0.000 0.849 336 P CB 0.334 32.043 31.700 0.014 0.000 0.787 337 L N -2.113 119.340 121.223 0.384 0.000 2.270 337 L HA 0.005 4.345 4.340 0.000 0.000 0.210 337 L C 2.367 179.289 176.870 0.085 0.000 1.104 337 L CA 0.934 55.863 54.840 0.148 0.000 0.804 337 L CB -0.879 41.234 42.059 0.090 0.000 0.937 337 L HN -0.049 nan 8.230 nan 0.000 0.450 338 A N -0.192 122.659 122.820 0.052 0.000 1.898 338 A HA -0.246 4.074 4.320 0.000 0.000 0.216 338 A C 2.203 179.820 177.584 0.056 0.000 1.181 338 A CA 1.470 53.518 52.037 0.017 0.000 0.620 338 A CB -0.391 18.613 19.000 0.007 0.000 0.819 338 A HN 0.323 nan 8.150 nan 0.000 0.442 339 Q N -0.723 119.121 119.800 0.074 0.000 2.124 339 Q HA -0.125 4.215 4.340 0.000 0.000 0.202 339 Q C 1.822 177.849 176.000 0.045 0.000 0.977 339 Q CA 1.595 57.429 55.803 0.053 0.000 0.850 339 Q CB -0.426 28.343 28.738 0.051 0.000 0.901 339 Q HN 0.538 nan 8.270 nan 0.000 0.429 340 L N -0.516 120.739 121.223 0.054 0.000 2.109 340 L HA -0.032 4.308 4.340 0.000 0.000 0.207 340 L C 1.999 178.915 176.870 0.077 0.000 1.086 340 L CA 1.744 56.612 54.840 0.047 0.000 0.760 340 L CB -0.792 41.279 42.059 0.021 0.000 0.910 340 L HN 0.090 nan 8.230 nan 0.000 0.437 341 S N -0.299 115.468 115.700 0.112 0.000 2.370 341 S HA -0.155 4.315 4.470 0.000 0.000 0.226 341 S C 1.911 176.540 174.600 0.047 0.000 1.033 341 S CA 1.696 59.969 58.200 0.121 0.000 1.011 341 S CB -0.460 62.800 63.200 0.099 0.000 0.852 341 S HN 0.473 nan 8.310 nan 0.000 0.457 342 L N 0.633 121.874 121.223 0.030 0.000 2.191 342 L HA -0.038 4.302 4.340 0.000 0.000 0.212 342 L C 2.641 179.518 176.870 0.012 0.000 1.103 342 L CA 0.991 55.837 54.840 0.011 0.000 0.769 342 L CB -0.337 41.728 42.059 0.010 0.000 0.908 342 L HN 0.227 nan 8.230 nan 0.000 0.438 343 R N 0.380 120.894 120.500 0.022 0.000 2.119 343 R HA -0.039 4.301 4.340 0.000 0.000 0.222 343 R C 2.247 178.560 176.300 0.020 0.000 1.088 343 R CA 0.851 56.963 56.100 0.019 0.000 0.984 343 R CB 0.042 30.355 30.300 0.022 0.000 0.884 343 R HN 0.295 nan 8.270 nan 0.000 0.447 344 I N 0.482 121.070 120.570 0.031 0.000 2.286 344 I HA -0.252 3.918 4.170 0.000 0.000 0.245 344 I C 1.955 178.075 176.117 0.004 0.000 1.104 344 I CA 0.979 62.297 61.300 0.029 0.000 1.397 344 I CB -0.093 37.943 38.000 0.060 0.000 1.072 344 I HN 0.205 nan 8.210 nan 0.000 0.417 345 L N 0.460 121.679 121.223 -0.007 0.000 2.046 345 L HA -0.095 4.245 4.340 0.000 0.000 0.208 345 L C 1.789 178.648 176.870 -0.019 0.000 1.077 345 L CA 1.362 56.184 54.840 -0.029 0.000 0.747 345 L CB -0.783 41.250 42.059 -0.043 0.000 0.896 345 L HN 0.525 nan 8.230 nan 0.000 0.432 346 G N -0.164 108.631 108.800 -0.009 0.000 2.143 346 G HA2 -0.249 3.711 3.960 0.000 0.000 0.249 346 G HA3 -0.249 3.711 3.960 0.000 0.000 0.249 346 G C 0.351 175.246 174.900 -0.008 0.000 0.981 346 G CA 0.184 45.281 45.100 -0.005 0.000 0.665 346 G HN 0.297 nan 8.290 nan 0.000 0.528 347 V N -2.452 117.453 119.914 -0.014 0.000 2.715 347 V HA 0.698 4.818 4.120 0.000 0.000 0.299 347 V C 1.198 177.285 176.094 -0.011 0.000 1.054 347 V CA 0.006 62.296 62.300 -0.017 0.000 1.077 347 V CB 1.592 33.400 31.823 -0.026 0.000 0.972 347 V HN 0.032 nan 8.190 nan 0.000 0.484 348 K N 1.655 122.049 120.400 -0.010 0.000 2.370 348 K HA 0.202 4.522 4.320 0.000 0.000 0.194 348 K C 0.763 177.357 176.600 -0.009 0.000 1.070 348 K CA 0.933 57.215 56.287 -0.008 0.000 0.998 348 K CB 0.737 33.234 32.500 -0.005 0.000 0.911 348 K HN 1.003 nan 8.250 nan 0.000 0.533 349 T N -3.001 111.546 114.554 -0.013 0.000 2.924 349 T HA 0.597 4.947 4.350 0.000 0.000 0.291 349 T C 1.131 175.819 174.700 -0.020 0.000 1.045 349 T CA -0.372 61.719 62.100 -0.015 0.000 1.015 349 T CB 2.141 70.999 68.868 -0.015 0.000 1.103 349 T HN -0.067 nan 8.240 nan 0.000 0.496 350 A N 0.776 123.584 122.820 -0.020 0.000 1.902 350 A HA -0.092 4.228 4.320 0.000 0.000 0.217 350 A C 2.263 179.829 177.584 -0.030 0.000 1.181 350 A CA 1.128 53.151 52.037 -0.024 0.000 0.623 350 A CB -0.824 18.163 19.000 -0.022 0.000 0.818 350 A HN 0.751 nan 8.150 nan 0.000 0.443 351 Q N -0.455 119.328 119.800 -0.029 0.000 2.224 351 Q HA -0.040 4.300 4.340 0.000 0.000 0.203 351 Q C 2.319 178.298 176.000 -0.035 0.000 0.970 351 Q CA 1.398 57.181 55.803 -0.033 0.000 0.865 351 Q CB -0.806 27.914 28.738 -0.030 0.000 0.922 351 Q HN 0.674 nan 8.270 nan 0.000 0.445 352 A N 0.785 123.587 122.820 -0.030 0.000 1.933 352 A HA -0.147 4.173 4.320 0.000 0.000 0.218 352 A C 2.110 179.668 177.584 -0.043 0.000 1.175 352 A CA 1.280 53.299 52.037 -0.031 0.000 0.628 352 A CB -0.549 18.436 19.000 -0.024 0.000 0.814 352 A HN 0.341 nan 8.150 nan 0.000 0.444 353 L N -0.430 120.766 121.223 -0.046 0.000 2.093 353 L HA 0.045 4.385 4.340 0.000 0.000 0.208 353 L C 2.567 179.394 176.870 -0.072 0.000 1.085 353 L CA 2.024 56.828 54.840 -0.060 0.000 0.755 353 L CB -0.647 41.382 42.059 -0.050 0.000 0.904 353 L HN 0.303 nan 8.230 nan 0.000 0.435 354 A N -0.761 122.022 122.820 -0.061 0.000 1.933 354 A HA -0.199 4.121 4.320 0.000 0.000 0.218 354 A C 2.158 179.696 177.584 -0.077 0.000 1.175 354 A CA 1.698 53.695 52.037 -0.067 0.000 0.628 354 A CB -0.584 18.381 19.000 -0.058 0.000 0.814 354 A HN 0.611 nan 8.150 nan 0.000 0.444 355 E N -0.463 119.696 120.200 -0.067 0.000 2.204 355 E HA -0.093 4.257 4.350 0.000 0.000 0.194 355 E C 1.701 178.246 176.600 -0.092 0.000 0.989 355 E CA 0.909 57.270 56.400 -0.064 0.000 0.824 355 E CB -0.191 29.484 29.700 -0.041 0.000 0.756 355 E HN 0.720 nan 8.360 nan 0.000 0.477 356 I N 0.643 121.144 120.570 -0.114 0.000 2.406 356 I HA -0.141 4.029 4.170 0.000 0.000 0.249 356 I C 2.478 178.455 176.117 -0.233 0.000 1.122 356 I CA 0.484 61.677 61.300 -0.178 0.000 1.431 356 I CB -0.178 37.716 38.000 -0.176 0.000 1.087 356 I HN 0.052 nan 8.210 nan 0.000 0.424 357 A N 1.013 123.728 122.820 -0.175 0.000 1.902 357 A HA -0.158 4.162 4.320 0.000 0.000 0.217 357 A C 2.355 179.847 177.584 -0.154 0.000 1.181 357 A CA 1.997 53.934 52.037 -0.166 0.000 0.623 357 A CB -0.951 17.980 19.000 -0.116 0.000 0.818 357 A HN 0.348 nan 8.150 nan 0.000 0.443 358 V N -2.780 117.057 119.914 -0.129 0.000 2.809 358 V HA 0.095 4.215 4.120 0.000 0.000 0.256 358 V C 2.395 178.417 176.094 -0.121 0.000 1.080 358 V CA 1.499 63.737 62.300 -0.104 0.000 1.102 358 V CB -1.234 30.540 31.823 -0.081 0.000 0.705 358 V HN 0.469 nan 8.190 nan 0.000 0.475 359 A N 0.574 123.272 122.820 -0.203 0.000 1.930 359 A HA 0.026 4.346 4.320 0.000 0.000 0.215 359 A C 2.310 179.670 177.584 -0.373 0.000 1.176 359 A CA 1.730 53.538 52.037 -0.380 0.000 0.632 359 A CB -0.610 18.072 19.000 -0.530 0.000 0.819 359 A HN 0.399 nan 8.150 nan 0.000 0.445 360 V N 0.035 119.761 119.914 -0.313 0.000 2.307 360 V HA -0.161 3.959 4.120 0.000 0.000 0.245 360 V C 2.829 178.899 176.094 -0.040 0.000 1.045 360 V CA 1.951 64.115 62.300 -0.226 0.000 1.024 360 V CB -1.481 30.120 31.823 -0.370 0.000 0.651 360 V HN 0.575 nan 8.190 nan 0.000 0.449 361 G N -0.069 108.691 108.800 -0.066 0.000 2.418 361 G HA2 -0.251 3.709 3.960 0.000 0.000 0.217 361 G HA3 -0.251 3.709 3.960 0.000 0.000 0.217 361 G C 1.583 176.513 174.900 0.051 0.000 1.158 361 G CA 1.166 46.258 45.100 -0.013 0.000 0.771 361 G HN 0.419 nan 8.290 nan 0.000 0.545 362 L N 1.474 122.735 121.223 0.063 0.000 2.017 362 L HA 0.152 4.492 4.340 0.000 0.000 0.208 362 L C 3.047 180.097 176.870 0.300 0.000 1.073 362 L CA 2.186 57.127 54.840 0.168 0.000 0.745 362 L CB -0.886 41.263 42.059 0.150 0.000 0.894 362 L HN 0.237 nan 8.230 nan 0.000 0.432 363 A N -1.133 121.869 122.820 0.304 0.000 1.902 363 A HA -0.277 4.043 4.320 0.000 0.000 0.217 363 A C 2.267 179.977 177.584 0.211 0.000 1.181 363 A CA 1.774 54.022 52.037 0.352 0.000 0.623 363 A CB -0.696 18.542 19.000 0.398 0.000 0.818 363 A HN 0.576 nan 8.150 nan 0.000 0.443 364 Q N 0.427 120.325 119.800 0.165 0.000 2.050 364 Q HA -0.202 4.138 4.340 0.000 0.000 0.202 364 Q C 1.907 177.943 176.000 0.061 0.000 0.980 364 Q CA 2.303 58.165 55.803 0.098 0.000 0.840 364 Q CB -0.555 28.221 28.738 0.064 0.000 0.898 364 Q HN 0.735 nan 8.270 nan 0.000 0.424 365 N N -0.779 117.967 118.700 0.077 0.000 2.104 365 N HA -0.178 4.562 4.740 0.000 0.000 0.190 365 N C 1.479 176.987 175.510 -0.003 0.000 1.024 365 N CA 1.364 54.428 53.050 0.024 0.000 0.853 365 N CB -0.372 38.175 38.487 0.101 0.000 1.008 365 N HN 0.335 nan 8.380 nan 0.000 0.424 366 L N 0.127 121.393 121.223 0.073 0.000 2.056 366 L HA 0.156 4.496 4.340 0.000 0.000 0.207 366 L C 2.125 178.907 176.870 -0.147 0.000 1.078 366 L CA 2.168 56.909 54.840 -0.164 0.000 0.749 366 L CB -1.319 40.716 42.059 -0.038 0.000 0.901 366 L HN 0.249 nan 8.230 nan 0.000 0.433 367 G N -0.900 107.872 108.800 -0.046 0.000 2.440 367 G HA2 -0.263 3.697 3.960 0.000 0.000 0.218 367 G HA3 -0.263 3.697 3.960 0.000 0.000 0.218 367 G C 1.593 176.473 174.900 -0.033 0.000 1.154 367 G CA 0.947 46.028 45.100 -0.031 0.000 0.767 367 G HN 0.666 nan 8.290 nan 0.000 0.552 368 A N 0.580 123.379 122.820 -0.035 0.000 1.877 368 A HA 0.049 4.369 4.320 0.000 0.000 0.216 368 A C 2.483 180.033 177.584 -0.057 0.000 1.186 368 A CA 1.823 53.840 52.037 -0.033 0.000 0.620 368 A CB -0.367 18.613 19.000 -0.034 0.000 0.822 368 A HN 0.378 nan 8.150 nan 0.000 0.443 369 M N -1.341 118.196 119.600 -0.105 0.000 2.117 369 M HA -0.153 4.327 4.480 0.000 0.000 0.262 369 M C 2.412 178.632 176.300 -0.134 0.000 1.065 369 M CA 1.851 57.076 55.300 -0.125 0.000 1.114 369 M CB -0.336 32.130 32.600 -0.222 0.000 1.361 369 M HN 0.472 nan 8.290 nan 0.000 0.408 370 R N 0.582 120.988 120.500 -0.156 0.000 2.091 370 R HA -0.163 4.177 4.340 0.000 0.000 0.238 370 R C 2.156 178.407 176.300 -0.083 0.000 1.136 370 R CA 1.753 57.773 56.100 -0.133 0.000 0.959 370 R CB -0.288 29.939 30.300 -0.123 0.000 0.856 370 R HN 0.378 nan 8.270 nan 0.000 0.437 371 A N 1.213 124.005 122.820 -0.047 0.000 1.883 371 A HA -0.174 4.146 4.320 0.000 0.000 0.217 371 A C 2.049 179.614 177.584 -0.031 0.000 1.186 371 A CA 1.075 53.101 52.037 -0.019 0.000 0.624 371 A CB -0.638 18.363 19.000 0.002 0.000 0.822 371 A HN 0.311 nan 8.150 nan 0.000 0.444 372 L N -0.370 120.834 121.223 -0.032 0.000 2.017 372 L HA -0.089 4.251 4.340 0.000 0.000 0.208 372 L C 2.719 179.558 176.870 -0.052 0.000 1.073 372 L CA 2.187 57.015 54.840 -0.020 0.000 0.745 372 L CB -1.283 40.781 42.059 0.008 0.000 0.894 372 L HN 0.409 nan 8.230 nan 0.000 0.432 373 A N -2.320 120.445 122.820 -0.092 0.000 2.235 373 A HA 0.077 4.397 4.320 0.000 0.000 0.208 373 A C 1.186 178.598 177.584 -0.285 0.000 1.172 373 A CA 0.681 52.625 52.037 -0.155 0.000 0.786 373 A CB -0.537 18.372 19.000 -0.151 0.000 0.804 373 A HN 0.433 nan 8.150 nan 0.000 0.479 374 T N 0.000 114.420 114.554 -0.223 0.000 3.816 374 T HA 0.000 4.350 4.350 0.000 0.000 0.228 374 T CA 0.000 61.940 62.100 -0.266 0.000 1.349 374 T CB 0.000 68.800 68.868 -0.113 0.000 0.612 374 T HN 0.000 nan 8.240 nan 0.000 0.658