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 2hj0_1_B DATA FIRST_RESID 3 DATA SEQUENCE ENKLGRDIPR KYANQYGVFE XELAHIKSYK ESSRQVKPVK PSDDKLLSSI DATA SEQUENCE HEAIEKTRLK DGXTISFHHH FREGDYVXNX VLDEIAKXGI KDISIAPSSI DATA SEQUENCE ANVHEPLIDH IKNGVVTNIT SSGLRDKVGA AISEGIXENP VIIRSHGGRA DATA SEQUENCE RAIATDDIHI DVAFLGAPSS DAYGNANGTR GKTTCGSLGY AXIDAKYADQ DATA SEQUENCE VVIVTDTLVP YPNTPISIPQ TDVDYIVVVD AIGDPEGIAK GATRYTKNPK DATA SEQUENCE ELLIAEYAAK VITSSPYYKE GFSFQTGTGG ASLAVTRFXR EQXIKDDIKA DATA SEQUENCE NFALGGITNA XVELLEEGLV DKILDVQDFD HPSAVSLDRN AEKHYEIDAN DATA SEQUENCE XYASPLSKGS VINQLDICVL SALEVDTNFN VNVXTGSDGV IRGASGGHCD DATA SEQUENCE TAFAAKXSLV ISPLVRGRIP TFVDKVNTVI TPGTSVDVVV TEVGIAINPN DATA SEQUENCE RPDLIEYFKD LKVPQLTIEE LKEKAYAIVG NPQPIQYGDK IVALIEYRDG DATA SEQUENCE SLIDVVRNVL E 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.623 176.600 0.039 0.000 1.382 3 E CA 0.000 56.416 56.400 0.027 0.000 0.976 3 E CB 0.000 29.709 29.700 0.014 0.000 0.812 4 N N 0.571 119.289 118.700 0.030 0.000 2.469 4 N HA 0.283 5.023 4.740 -0.000 0.000 0.286 4 N C 0.306 175.837 175.510 0.035 0.000 1.275 4 N CA -0.590 52.484 53.050 0.041 0.000 0.790 4 N CB 1.309 39.804 38.487 0.013 0.000 1.446 4 N HN 0.200 nan 8.380 nan 0.000 0.501 5 K N 0.075 120.507 120.400 0.052 0.000 2.071 5 K HA -0.124 4.196 4.320 -0.000 0.000 0.217 5 K C 1.179 177.791 176.600 0.019 0.000 1.054 5 K CA 1.400 57.715 56.287 0.045 0.000 0.937 5 K CB -0.689 31.843 32.500 0.053 0.000 0.719 5 K HN 0.510 nan 8.250 nan 0.000 0.454 6 L N -1.115 120.107 121.223 -0.001 0.000 2.638 6 L HA 0.037 4.377 4.340 -0.000 0.000 0.158 6 L C 1.402 178.270 176.870 -0.004 0.000 1.081 6 L CA 0.536 55.373 54.840 -0.005 0.000 1.434 6 L CB -0.252 41.793 42.059 -0.023 0.000 2.076 6 L HN 0.242 nan 8.230 nan 0.000 0.470 7 G N -0.037 108.756 108.800 -0.012 0.000 4.912 7 G HA2 0.307 4.267 3.960 -0.000 0.000 0.307 7 G HA3 0.307 4.267 3.960 -0.000 0.000 0.307 7 G C -0.528 174.356 174.900 -0.026 0.000 1.381 7 G CA -0.419 44.673 45.100 -0.014 0.000 1.057 7 G HN 0.075 nan 8.290 nan 0.000 0.593 8 R N 0.805 121.289 120.500 -0.027 0.000 2.338 8 R HA 0.274 4.614 4.340 -0.000 0.000 0.317 8 R C -1.061 175.224 176.300 -0.025 0.000 0.968 8 R CA -1.253 54.824 56.100 -0.038 0.000 0.849 8 R CB 1.628 31.900 30.300 -0.046 0.000 1.128 8 R HN 0.180 nan 8.270 nan 0.000 0.448 9 D N 3.081 123.463 120.400 -0.031 0.000 2.801 9 D HA 0.106 4.746 4.640 -0.000 0.000 0.232 9 D C -0.188 176.114 176.300 0.004 0.000 1.128 9 D CA -0.094 53.898 54.000 -0.014 0.000 1.003 9 D CB -0.404 40.382 40.800 -0.023 0.000 1.110 9 D HN 0.428 nan 8.370 nan 0.000 0.477 10 I N 3.470 124.049 120.570 0.015 0.000 2.436 10 I HA 0.139 4.309 4.170 -0.000 0.000 0.289 10 I C -1.515 174.649 176.117 0.078 0.000 1.083 10 I CA -1.706 59.623 61.300 0.048 0.000 1.372 10 I CB 0.601 38.626 38.000 0.042 0.000 1.408 10 I HN 0.177 nan 8.210 nan 0.000 0.516 11 P HA -0.009 nan 4.420 nan 0.000 0.265 11 P C 0.440 177.779 177.300 0.065 0.000 1.193 11 P CA -0.257 62.891 63.100 0.081 0.000 0.765 11 P CB 0.690 32.446 31.700 0.094 0.000 0.823 12 R N 2.526 123.040 120.500 0.024 0.000 2.170 12 R HA -0.187 4.153 4.340 -0.000 0.000 0.242 12 R C 2.075 178.366 176.300 -0.014 0.000 1.145 12 R CA 1.575 57.685 56.100 0.016 0.000 0.984 12 R CB -0.475 29.826 30.300 0.003 0.000 0.869 12 R HN 0.589 nan 8.270 nan 0.000 0.455 13 K N -0.358 119.981 120.400 -0.102 0.000 2.063 13 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 13 K C 1.540 178.008 176.600 -0.220 0.000 1.048 13 K CA 1.707 57.851 56.287 -0.238 0.000 0.928 13 K CB -0.075 32.150 32.500 -0.459 0.000 0.713 13 K HN 0.124 nan 8.250 nan 0.000 0.442 14 Y N -0.550 119.799 120.300 0.081 0.000 2.389 14 Y HA 0.217 4.767 4.550 -0.000 0.000 0.292 14 Y C 2.186 178.178 175.900 0.153 0.000 1.117 14 Y CA 0.437 58.618 58.100 0.134 0.000 1.195 14 Y CB -0.417 38.080 38.460 0.062 0.000 1.076 14 Y HN 0.117 nan 8.280 nan 0.000 0.548 15 A N 0.177 123.136 122.820 0.231 0.000 2.019 15 A HA -0.205 4.114 4.320 -0.000 0.000 0.219 15 A C 2.145 179.825 177.584 0.160 0.000 1.164 15 A CA 1.904 54.045 52.037 0.174 0.000 0.644 15 A CB -0.602 18.467 19.000 0.115 0.000 0.805 15 A HN 0.522 nan 8.150 nan 0.000 0.449 16 N N -1.412 117.364 118.700 0.126 0.000 2.387 16 N HA -0.087 4.653 4.740 -0.000 0.000 0.176 16 N C 1.868 177.434 175.510 0.093 0.000 1.022 16 N CA 0.556 53.658 53.050 0.086 0.000 0.883 16 N CB -0.144 38.366 38.487 0.039 0.000 1.019 16 N HN 0.468 nan 8.380 nan 0.000 0.435 17 Q N -0.246 119.634 119.800 0.133 0.000 2.020 17 Q HA -0.097 4.243 4.340 -0.000 0.000 0.202 17 Q C 0.079 176.090 176.000 0.019 0.000 0.982 17 Q CA 1.372 57.231 55.803 0.094 0.000 0.838 17 Q CB 0.031 28.910 28.738 0.236 0.000 0.899 17 Q HN 0.368 nan 8.270 nan 0.000 0.423 18 Y N -1.209 119.155 120.300 0.106 0.000 2.545 18 Y HA 0.442 4.992 4.550 -0.000 0.000 0.324 18 Y C 0.816 176.782 175.900 0.110 0.000 1.220 18 Y CA -0.745 57.411 58.100 0.093 0.000 1.290 18 Y CB 0.758 39.266 38.460 0.080 0.000 1.355 18 Y HN 0.037 nan 8.280 nan 0.000 0.516 19 G N 0.399 109.382 108.800 0.305 0.000 2.343 19 G HA2 0.275 4.235 3.960 -0.000 0.000 0.254 19 G HA3 0.275 4.235 3.960 -0.000 0.000 0.254 19 G C -0.887 174.216 174.900 0.339 0.000 1.277 19 G CA -0.362 44.935 45.100 0.328 0.000 0.909 19 G HN 0.474 nan 8.290 nan 0.000 0.502 20 V N 5.884 125.993 119.914 0.326 0.000 2.258 20 V HA 0.694 4.814 4.120 -0.000 0.000 0.258 20 V C -0.466 175.853 176.094 0.376 0.000 1.121 20 V CA -0.277 62.177 62.300 0.257 0.000 0.942 20 V CB -1.739 30.182 31.823 0.164 0.000 1.170 20 V HN 0.856 nan 8.190 nan 0.000 0.487 21 F N 3.165 123.118 119.950 0.005 0.000 3.548 21 F HA 0.750 5.277 4.527 -0.000 0.000 0.326 21 F C -1.359 174.392 175.800 -0.082 0.000 1.036 21 F CA -0.633 57.350 58.000 -0.029 0.000 0.820 21 F CB 0.684 39.675 39.000 -0.015 0.000 1.590 21 F HN 0.407 nan 8.300 nan 0.000 0.460 25 L N 2.270 123.571 121.223 0.130 0.000 2.506 25 L HA 0.265 4.605 4.340 -0.000 0.000 0.281 25 L C 0.900 177.923 176.870 0.254 0.000 1.228 25 L CA 1.003 55.942 54.840 0.164 0.000 0.850 25 L CB 0.309 42.455 42.059 0.145 0.000 1.110 25 L HN 0.780 nan 8.230 nan 0.000 0.496 26 A N 4.186 127.198 122.820 0.321 0.000 3.200 26 A HA 0.538 4.858 4.320 -0.000 0.000 0.208 26 A C 0.022 177.682 177.584 0.127 0.000 1.360 26 A CA -0.440 51.751 52.037 0.257 0.000 0.892 26 A CB 0.710 19.875 19.000 0.275 0.000 1.600 26 A HN 0.786 nan 8.150 nan 0.000 0.501 27 H N -0.928 118.204 119.070 0.102 0.000 2.570 27 H HA 0.635 5.191 4.556 -0.000 0.000 0.342 27 H C -0.768 174.614 175.328 0.090 0.000 1.245 27 H CA 0.094 56.194 56.048 0.087 0.000 1.318 27 H CB 1.449 31.246 29.762 0.059 0.000 1.694 27 H HN 0.651 nan 8.280 nan 0.000 0.592 28 I N -0.956 119.734 120.570 0.200 0.000 2.647 28 I HA 0.523 4.693 4.170 -0.000 0.000 0.295 28 I C -1.004 175.206 176.117 0.155 0.000 1.078 28 I CA -0.974 60.418 61.300 0.152 0.000 1.048 28 I CB 2.487 40.557 38.000 0.116 0.000 1.239 28 I HN 0.070 nan 8.210 nan 0.000 0.421 29 K N 2.518 123.006 120.400 0.147 0.000 2.433 29 K HA 0.478 4.798 4.320 -0.000 0.000 0.252 29 K C -0.525 176.169 176.600 0.156 0.000 1.015 29 K CA -0.539 55.825 56.287 0.128 0.000 0.860 29 K CB 2.395 34.954 32.500 0.098 0.000 1.359 29 K HN 0.948 nan 8.250 nan 0.000 0.452 30 S N 0.875 116.631 115.700 0.094 0.000 2.558 30 S HA 0.149 4.619 4.470 -0.000 0.000 0.291 30 S C -0.181 174.485 174.600 0.110 0.000 1.306 30 S CA 0.086 58.310 58.200 0.040 0.000 1.056 30 S CB -0.277 62.915 63.200 -0.013 0.000 0.836 30 S HN 0.461 nan 8.310 nan 0.000 0.504 31 Y N -0.963 119.352 120.300 0.026 0.000 2.615 31 Y HA 0.673 5.222 4.550 -0.000 0.000 0.341 31 Y C -0.847 175.068 175.900 0.025 0.000 1.089 31 Y CA -1.591 56.522 58.100 0.023 0.000 1.049 31 Y CB 1.113 39.585 38.460 0.019 0.000 1.296 31 Y HN 0.471 nan 8.280 nan 0.000 0.470 32 K N 2.873 123.405 120.400 0.220 0.000 2.267 32 K HA 0.120 4.440 4.320 -0.000 0.000 0.282 32 K C -0.383 176.387 176.600 0.283 0.000 1.078 32 K CA -0.224 56.145 56.287 0.137 0.000 0.903 32 K CB 1.160 33.722 32.500 0.103 0.000 1.111 32 K HN 0.976 nan 8.250 nan 0.000 0.475 33 E N 1.899 122.231 120.200 0.219 0.000 2.436 33 E HA -0.069 4.281 4.350 -0.000 0.000 0.262 33 E C -0.388 176.355 176.600 0.239 0.000 1.063 33 E CA 0.178 56.773 56.400 0.326 0.000 0.944 33 E CB 0.683 30.536 29.700 0.254 0.000 0.950 33 E HN 0.424 nan 8.360 nan 0.000 0.444 34 S N 1.860 117.690 115.700 0.216 0.000 2.562 34 S HA 0.124 4.594 4.470 -0.000 0.000 0.281 34 S C -0.534 174.237 174.600 0.286 0.000 1.333 34 S CA -0.047 58.282 58.200 0.214 0.000 1.052 34 S CB 0.429 63.703 63.200 0.123 0.000 0.884 34 S HN 0.505 nan 8.310 nan 0.000 0.506 35 S N 4.406 120.254 115.700 0.247 0.000 2.536 35 S HA 0.723 5.193 4.470 -0.000 0.000 0.298 35 S C -0.547 174.202 174.600 0.249 0.000 1.083 35 S CA -1.171 57.146 58.200 0.196 0.000 0.995 35 S CB 1.331 64.602 63.200 0.119 0.000 1.058 35 S HN 0.960 nan 8.310 nan 0.000 0.488 36 R N 1.052 121.654 120.500 0.170 0.000 2.758 36 R HA 0.498 4.838 4.340 -0.000 0.000 0.265 36 R C -0.868 175.491 176.300 0.098 0.000 1.016 36 R CA -0.942 55.261 56.100 0.172 0.000 1.040 36 R CB 0.628 30.973 30.300 0.076 0.000 1.152 36 R HN 0.554 nan 8.270 nan 0.000 0.503 37 Q N 1.767 121.624 119.800 0.095 0.000 2.441 37 Q HA 0.205 4.545 4.340 -0.000 0.000 0.234 37 Q C -0.649 175.359 176.000 0.012 0.000 1.078 37 Q CA -0.330 55.497 55.803 0.041 0.000 0.907 37 Q CB 1.555 30.314 28.738 0.034 0.000 1.269 37 Q HN 0.389 nan 8.270 nan 0.000 0.502 38 V N 3.338 123.249 119.914 -0.005 0.000 2.583 38 V HA 0.156 4.276 4.120 -0.000 0.000 0.287 38 V C 0.448 176.520 176.094 -0.037 0.000 1.051 38 V CA -0.173 62.108 62.300 -0.031 0.000 1.010 38 V CB 0.954 32.755 31.823 -0.036 0.000 0.988 38 V HN 0.467 nan 8.190 nan 0.000 0.478 39 K N 5.969 126.334 120.400 -0.059 0.000 2.347 39 K HA 0.372 4.692 4.320 -0.000 0.000 0.262 39 K C -2.306 174.249 176.600 -0.076 0.000 1.052 39 K CA -1.425 54.828 56.287 -0.058 0.000 0.946 39 K CB 1.122 33.584 32.500 -0.062 0.000 1.220 39 K HN 0.550 nan 8.250 nan 0.000 0.450 40 P HA -0.035 nan 4.420 nan 0.000 0.265 40 P C -0.407 176.856 177.300 -0.061 0.000 1.187 40 P CA -0.200 62.867 63.100 -0.053 0.000 0.766 40 P CB 0.760 32.442 31.700 -0.031 0.000 0.820 41 V N 4.080 123.953 119.914 -0.069 0.000 2.427 41 V HA 0.191 4.311 4.120 -0.000 0.000 0.286 41 V C 0.875 176.958 176.094 -0.017 0.000 1.034 41 V CA -0.653 61.608 62.300 -0.065 0.000 0.893 41 V CB 1.124 32.874 31.823 -0.121 0.000 0.982 41 V HN 0.492 nan 8.190 nan 0.000 0.452 42 K N 6.735 127.134 120.400 -0.001 0.000 2.295 42 K HA 0.213 4.533 4.320 -0.000 0.000 0.270 42 K C -1.357 175.262 176.600 0.033 0.000 1.011 42 K CA -1.281 55.015 56.287 0.014 0.000 0.953 42 K CB 0.689 33.199 32.500 0.016 0.000 0.956 42 K HN 0.417 nan 8.250 nan 0.000 0.477 43 P HA -0.210 nan 4.420 nan 0.000 0.220 43 P C 0.595 177.915 177.300 0.033 0.000 1.144 43 P CA 1.399 64.521 63.100 0.036 0.000 0.800 43 P CB 0.234 31.942 31.700 0.015 0.000 0.772 44 S N -2.836 112.882 115.700 0.030 0.000 2.539 44 S HA 0.104 4.574 4.470 -0.000 0.000 0.221 44 S C 0.465 175.092 174.600 0.046 0.000 0.987 44 S CA -0.581 57.636 58.200 0.027 0.000 0.929 44 S CB -0.487 62.724 63.200 0.018 0.000 0.832 44 S HN -0.102 nan 8.310 nan 0.000 0.492 45 D N 2.892 123.327 120.400 0.059 0.000 2.382 45 D HA 0.243 4.883 4.640 -0.000 0.000 0.245 45 D C -0.799 175.562 176.300 0.102 0.000 1.120 45 D CA 0.334 54.375 54.000 0.068 0.000 0.890 45 D CB 0.827 41.654 40.800 0.044 0.000 1.201 45 D HN 0.258 nan 8.370 nan 0.000 0.433 46 D N 1.376 121.839 120.400 0.105 0.000 2.280 46 D HA 0.100 4.740 4.640 -0.000 0.000 0.236 46 D C 0.335 176.728 176.300 0.154 0.000 1.082 46 D CA -0.361 53.716 54.000 0.128 0.000 0.834 46 D CB 0.950 41.812 40.800 0.103 0.000 1.100 46 D HN 0.174 nan 8.370 nan 0.000 0.486 47 K N 2.339 122.829 120.400 0.151 0.000 2.379 47 K HA 0.199 4.519 4.320 -0.000 0.000 0.194 47 K C 0.799 177.538 176.600 0.231 0.000 1.031 47 K CA -0.104 56.265 56.287 0.136 0.000 1.037 47 K CB 0.661 33.130 32.500 -0.053 0.000 0.824 47 K HN 0.291 nan 8.250 nan 0.000 0.516 48 L N 2.243 123.577 121.223 0.185 0.000 2.349 48 L HA 0.164 4.504 4.340 -0.000 0.000 0.275 48 L C -0.713 176.237 176.870 0.135 0.000 1.115 48 L CA -0.499 54.435 54.840 0.157 0.000 0.820 48 L CB 0.593 42.727 42.059 0.125 0.000 1.135 48 L HN -0.030 nan 8.230 nan 0.000 0.445 49 L N 2.116 123.405 121.223 0.110 0.000 2.286 49 L HA 0.386 4.726 4.340 -0.000 0.000 0.265 49 L C 0.985 177.885 176.870 0.050 0.000 1.012 49 L CA 0.105 54.977 54.840 0.053 0.000 0.818 49 L CB 1.983 44.041 42.059 -0.003 0.000 1.337 49 L HN 0.678 nan 8.230 nan 0.000 0.438 50 S N -1.439 114.281 115.700 0.033 0.000 2.421 50 S HA 0.148 4.618 4.470 -0.000 0.000 0.224 50 S C 0.568 175.192 174.600 0.039 0.000 1.035 50 S CA 0.552 58.772 58.200 0.034 0.000 0.953 50 S CB -0.083 63.131 63.200 0.023 0.000 0.810 50 S HN 0.723 nan 8.310 nan 0.000 0.497 51 S N -0.796 114.932 115.700 0.046 0.000 2.671 51 S HA 0.626 5.096 4.470 -0.000 0.000 0.277 51 S C 0.266 174.908 174.600 0.069 0.000 1.165 51 S CA -0.744 57.490 58.200 0.057 0.000 0.822 51 S CB 0.417 63.653 63.200 0.060 0.000 1.150 51 S HN -0.015 nan 8.310 nan 0.000 0.479 52 I N 1.046 121.656 120.570 0.067 0.000 2.361 52 I HA -0.029 4.141 4.170 -0.000 0.000 0.251 52 I C 2.370 178.511 176.117 0.040 0.000 1.133 52 I CA 1.709 63.039 61.300 0.050 0.000 1.413 52 I CB -0.877 37.124 38.000 0.002 0.000 1.073 52 I HN 0.948 nan 8.210 nan 0.000 0.424 53 H N 0.499 119.560 119.070 -0.015 0.000 2.265 53 H HA -0.247 4.309 4.556 -0.000 0.000 0.295 53 H C 2.301 177.617 175.328 -0.020 0.000 1.084 53 H CA 2.364 58.401 56.048 -0.019 0.000 1.261 53 H CB -0.022 29.729 29.762 -0.019 0.000 1.360 53 H HN 0.379 nan 8.280 nan 0.000 0.487 54 E N -0.308 119.978 120.200 0.143 0.000 2.209 54 E HA -0.197 4.153 4.350 -0.000 0.000 0.196 54 E C 2.194 178.740 176.600 -0.090 0.000 0.993 54 E CA 0.718 57.140 56.400 0.036 0.000 0.819 54 E CB -0.187 29.521 29.700 0.012 0.000 0.745 54 E HN 0.610 nan 8.360 nan 0.000 0.477 55 A N 1.083 123.871 122.820 -0.054 0.000 1.858 55 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 55 A C 2.123 179.708 177.584 0.001 0.000 1.190 55 A CA 1.334 53.335 52.037 -0.059 0.000 0.617 55 A CB -0.598 18.473 19.000 0.119 0.000 0.827 55 A HN 0.309 nan 8.150 nan 0.000 0.443 56 I N -0.578 120.014 120.570 0.036 0.000 2.286 56 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 56 I C 2.562 178.659 176.117 -0.033 0.000 1.115 56 I CA 1.739 63.067 61.300 0.047 0.000 1.392 56 I CB -0.363 37.590 38.000 -0.078 0.000 1.065 56 I HN 0.548 nan 8.210 nan 0.000 0.418 57 E N 1.794 121.934 120.200 -0.100 0.000 2.001 57 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 57 E C 1.986 178.549 176.600 -0.061 0.000 0.994 57 E CA 1.189 57.543 56.400 -0.076 0.000 0.815 57 E CB 0.041 29.714 29.700 -0.046 0.000 0.770 57 E HN 0.341 nan 8.360 nan 0.000 0.453 58 K N -0.210 120.112 120.400 -0.131 0.000 2.519 58 K HA -0.083 4.237 4.320 -0.000 0.000 0.196 58 K C 1.740 178.312 176.600 -0.047 0.000 1.041 58 K CA 0.950 57.142 56.287 -0.159 0.000 0.954 58 K CB -0.054 32.192 32.500 -0.422 0.000 0.774 58 K HN 0.109 nan 8.250 nan 0.000 0.480 59 T N -0.463 114.081 114.554 -0.017 0.000 3.065 59 T HA 0.037 4.387 4.350 -0.000 0.000 0.252 59 T C 0.182 174.918 174.700 0.060 0.000 1.099 59 T CA 0.064 62.216 62.100 0.087 0.000 1.063 59 T CB 0.031 68.943 68.868 0.075 0.000 0.948 59 T HN 0.164 nan 8.240 nan 0.000 0.506 60 R N -0.406 120.115 120.500 0.035 0.000 3.878 60 R HA -0.112 4.228 4.340 -0.000 0.000 0.330 60 R C -0.447 175.871 176.300 0.030 0.000 1.186 60 R CA 0.198 56.316 56.100 0.029 0.000 0.885 60 R CB -2.631 27.690 30.300 0.035 0.000 1.377 60 R HN 0.377 nan 8.270 nan 0.000 0.523 61 L N 1.015 122.261 121.223 0.038 0.000 2.601 61 L HA 0.079 4.419 4.340 -0.000 0.000 0.277 61 L C 0.394 177.284 176.870 0.033 0.000 1.219 61 L CA 1.354 56.223 54.840 0.049 0.000 0.915 61 L CB 0.272 42.384 42.059 0.089 0.000 1.160 61 L HN 0.132 nan 8.230 nan 0.000 0.494 62 K N 2.941 123.360 120.400 0.032 0.000 2.349 62 K HA 0.438 4.758 4.320 -0.000 0.000 0.243 62 K C -1.008 175.609 176.600 0.028 0.000 1.058 62 K CA -1.215 55.087 56.287 0.025 0.000 0.871 62 K CB 0.802 33.314 32.500 0.021 0.000 1.337 62 K HN 0.425 nan 8.250 nan 0.000 0.469 63 D N 0.451 120.865 120.400 0.024 0.000 2.399 63 D HA 0.322 4.962 4.640 -0.000 0.000 0.241 63 D C 0.632 176.949 176.300 0.027 0.000 1.133 63 D CA 1.280 55.295 54.000 0.026 0.000 0.890 63 D CB 0.611 41.424 40.800 0.022 0.000 1.201 63 D HN 0.700 nan 8.370 nan 0.000 0.432 67 I N 0.017 120.601 120.570 0.022 0.000 2.846 67 I HA 0.976 5.146 4.170 -0.000 0.000 0.307 67 I C -0.209 175.825 176.117 -0.138 0.000 1.053 67 I CA -0.896 60.369 61.300 -0.058 0.000 1.050 67 I CB 2.484 40.530 38.000 0.077 0.000 1.239 67 I HN 0.701 nan 8.210 nan 0.000 0.439 68 S N 2.215 117.700 115.700 -0.359 0.000 2.667 68 S HA 0.868 5.338 4.470 -0.000 0.000 0.292 68 S C -1.048 173.138 174.600 -0.689 0.000 1.126 68 S CA -0.595 57.424 58.200 -0.301 0.000 0.881 68 S CB 1.873 65.009 63.200 -0.107 0.000 1.132 68 S HN 0.644 nan 8.310 nan 0.000 0.492 69 F N -0.300 119.709 119.950 0.098 0.000 2.686 69 F HA 0.538 5.064 4.527 -0.000 0.000 0.311 69 F C 0.094 175.957 175.800 0.106 0.000 1.128 69 F CA -0.870 57.176 58.000 0.076 0.000 0.946 69 F CB 1.537 40.543 39.000 0.009 0.000 1.336 69 F HN 0.936 nan 8.300 nan 0.000 0.457 70 H N -0.564 118.713 119.070 0.345 0.000 2.737 70 H HA 0.441 4.996 4.556 -0.000 0.000 0.358 70 H C -0.859 174.615 175.328 0.243 0.000 1.187 70 H CA -0.697 55.495 56.048 0.240 0.000 1.221 70 H CB 1.888 31.754 29.762 0.174 0.000 1.799 70 H HN 0.853 nan 8.280 nan 0.000 0.568 71 H N 0.269 119.460 119.070 0.202 0.000 2.475 71 H HA 0.144 4.700 4.556 -0.000 0.000 0.276 71 H C -0.146 175.240 175.328 0.097 0.000 1.126 71 H CA -0.440 55.694 56.048 0.143 0.000 1.023 71 H CB -0.924 28.877 29.762 0.064 0.000 1.669 71 H HN 0.758 nan 8.280 nan 0.000 0.573 72 H N -0.157 118.937 119.070 0.040 0.000 2.489 72 H HA 0.001 4.557 4.556 -0.000 0.000 0.293 72 H C 0.661 175.815 175.328 -0.290 0.000 1.066 72 H CA 1.514 57.383 56.048 -0.297 0.000 1.305 72 H CB 0.074 29.520 29.762 -0.528 0.000 1.386 72 H HN 0.329 nan 8.280 nan 0.000 0.551 73 F N -0.141 119.910 119.950 0.169 0.000 2.776 73 F HA 0.097 4.624 4.527 -0.000 0.000 0.300 73 F C 1.248 177.047 175.800 -0.001 0.000 1.116 73 F CA -0.272 57.759 58.000 0.052 0.000 1.375 73 F CB 0.263 39.279 39.000 0.026 0.000 1.109 73 F HN -0.025 nan 8.300 nan 0.000 0.585 74 R N 0.221 120.822 120.500 0.168 0.000 3.750 74 R HA -0.284 4.056 4.340 -0.000 0.000 0.495 74 R C 1.147 177.464 176.300 0.029 0.000 0.241 74 R CA 1.553 57.714 56.100 0.102 0.000 1.551 74 R CB -1.110 29.218 30.300 0.047 0.000 0.956 74 R HN 0.115 nan 8.270 nan 0.000 0.584 75 E N 0.866 121.065 120.200 -0.002 0.000 2.515 75 E HA -0.042 4.308 4.350 -0.000 0.000 0.201 75 E C 1.644 178.214 176.600 -0.050 0.000 1.071 75 E CA 1.290 57.660 56.400 -0.049 0.000 0.880 75 E CB -0.175 29.515 29.700 -0.017 0.000 0.828 75 E HN 0.656 nan 8.360 nan 0.000 0.540 76 G N 0.856 109.631 108.800 -0.040 0.000 3.088 76 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.217 76 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.217 76 G C 0.233 174.960 174.900 -0.289 0.000 1.159 76 G CA -0.365 44.646 45.100 -0.148 0.000 0.760 76 G HN 0.134 nan 8.290 nan 0.000 0.550 77 D N -0.818 119.536 120.400 -0.076 0.000 2.443 77 D HA 0.094 4.734 4.640 -0.000 0.000 0.239 77 D C 0.641 177.012 176.300 0.118 0.000 1.136 77 D CA 0.294 54.296 54.000 0.003 0.000 0.879 77 D CB 0.380 41.301 40.800 0.201 0.000 1.195 77 D HN 0.314 nan 8.370 nan 0.000 0.443 78 Y N 1.647 121.920 120.300 -0.045 0.000 2.512 78 Y HA 0.120 4.670 4.550 -0.000 0.000 0.268 78 Y C 1.010 176.896 175.900 -0.023 0.000 1.102 78 Y CA -0.725 57.346 58.100 -0.048 0.000 1.261 78 Y CB 0.599 39.004 38.460 -0.092 0.000 1.250 78 Y HN 0.185 nan 8.280 nan 0.000 0.506 84 L N 1.736 122.790 121.223 -0.282 0.000 2.021 84 L HA -0.232 4.108 4.340 -0.000 0.000 0.215 84 L C 2.232 178.857 176.870 -0.408 0.000 1.074 84 L CA 2.817 57.434 54.840 -0.372 0.000 0.760 84 L CB -0.788 40.977 42.059 -0.490 0.000 0.889 84 L HN 0.622 nan 8.230 nan 0.000 0.433 85 D N -0.952 119.311 120.400 -0.228 0.000 2.123 85 D HA -0.246 4.394 4.640 -0.000 0.000 0.196 85 D C 1.962 178.240 176.300 -0.037 0.000 0.992 85 D CA 1.268 55.252 54.000 -0.027 0.000 0.833 85 D CB 0.332 41.161 40.800 0.049 0.000 0.954 85 D HN 0.349 nan 8.370 nan 0.000 0.455 86 E N 0.254 120.408 120.200 -0.078 0.000 2.150 86 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 86 E C 2.213 178.763 176.600 -0.083 0.000 0.985 86 E CA 0.460 56.828 56.400 -0.053 0.000 0.814 86 E CB -0.160 29.500 29.700 -0.067 0.000 0.752 86 E HN 0.324 nan 8.360 nan 0.000 0.466 87 I N 0.552 121.043 120.570 -0.132 0.000 2.252 87 I HA -0.192 3.978 4.170 -0.000 0.000 0.245 87 I C 2.292 178.370 176.117 -0.065 0.000 1.102 87 I CA 1.286 62.520 61.300 -0.111 0.000 1.385 87 I CB -1.581 36.346 38.000 -0.122 0.000 1.064 87 I HN 0.160 nan 8.210 nan 0.000 0.414 88 A N 0.705 123.487 122.820 -0.065 0.000 1.858 88 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 88 A C 1.648 179.255 177.584 0.038 0.000 1.190 88 A CA 1.088 53.140 52.037 0.026 0.000 0.617 88 A CB -0.448 18.647 19.000 0.159 0.000 0.827 88 A HN 0.226 nan 8.150 nan 0.000 0.443 92 I N 1.365 121.938 120.570 0.005 0.000 2.428 92 I HA 0.436 4.606 4.170 -0.000 0.000 0.289 92 I C 0.315 176.440 176.117 0.012 0.000 1.019 92 I CA 0.032 61.335 61.300 0.006 0.000 1.351 92 I CB 1.457 39.456 38.000 -0.003 0.000 1.412 92 I HN -0.100 nan 8.210 nan 0.000 0.513 93 K N 2.826 123.237 120.400 0.019 0.000 2.399 93 K HA 0.269 4.588 4.320 -0.000 0.000 0.260 93 K C -0.666 175.950 176.600 0.028 0.000 1.049 93 K CA -0.853 55.449 56.287 0.025 0.000 0.890 93 K CB 1.318 33.835 32.500 0.028 0.000 1.430 93 K HN 0.535 nan 8.250 nan 0.000 0.459 94 D N 0.878 121.297 120.400 0.032 0.000 2.800 94 D HA -0.149 4.490 4.640 -0.000 0.000 0.232 94 D C -0.810 175.512 176.300 0.038 0.000 1.137 94 D CA 0.346 54.366 54.000 0.034 0.000 0.718 94 D CB -0.567 40.251 40.800 0.030 0.000 1.084 94 D HN 0.276 nan 8.370 nan 0.000 0.432 95 I N 0.553 121.148 120.570 0.040 0.000 2.472 95 I HA 0.221 4.391 4.170 -0.000 0.000 0.290 95 I C 0.947 177.098 176.117 0.057 0.000 1.016 95 I CA -0.143 61.187 61.300 0.050 0.000 1.348 95 I CB 1.344 39.376 38.000 0.053 0.000 1.417 95 I HN 0.086 nan 8.210 nan 0.000 0.521 96 S N 6.760 122.498 115.700 0.063 0.000 2.422 96 S HA 0.481 4.951 4.470 -0.000 0.000 0.298 96 S C -0.280 174.369 174.600 0.082 0.000 1.118 96 S CA -0.552 57.686 58.200 0.064 0.000 1.083 96 S CB 0.272 63.505 63.200 0.056 0.000 0.971 96 S HN 0.447 nan 8.310 nan 0.000 0.478 97 I N 4.581 125.205 120.570 0.091 0.000 2.365 97 I HA 0.543 4.713 4.170 -0.000 0.000 0.291 97 I C 0.154 176.336 176.117 0.108 0.000 1.004 97 I CA -0.313 61.068 61.300 0.135 0.000 1.311 97 I CB 1.191 39.264 38.000 0.122 0.000 1.401 97 I HN 0.742 nan 8.210 nan 0.000 0.491 98 A N 9.110 132.006 122.820 0.128 0.000 3.308 98 A HA 0.476 4.796 4.320 -0.000 0.000 0.275 98 A C -2.631 175.026 177.584 0.123 0.000 0.950 98 A CA -1.111 50.979 52.037 0.088 0.000 0.987 98 A CB -0.196 18.831 19.000 0.046 0.000 1.146 98 A HN 0.448 nan 8.150 nan 0.000 0.488 99 P HA 0.112 nan 4.420 nan 0.000 0.275 99 P C 1.051 178.413 177.300 0.103 0.000 1.228 99 P CA 0.193 63.409 63.100 0.193 0.000 0.786 99 P CB 1.527 33.301 31.700 0.124 0.000 0.927 100 S N 1.213 117.002 115.700 0.148 0.000 2.419 100 S HA -0.034 4.436 4.470 -0.000 0.000 0.235 100 S C 0.903 175.427 174.600 -0.127 0.000 1.019 100 S CA 0.823 59.073 58.200 0.084 0.000 0.982 100 S CB -0.416 62.900 63.200 0.193 0.000 0.789 100 S HN 0.653 nan 8.310 nan 0.000 0.490 101 S N -1.111 114.476 115.700 -0.189 0.000 2.611 101 S HA 0.586 5.056 4.470 -0.000 0.000 0.270 101 S C -1.988 172.532 174.600 -0.133 0.000 1.131 101 S CA -0.940 57.034 58.200 -0.376 0.000 0.826 101 S CB 0.858 63.435 63.200 -1.038 0.000 1.095 101 S HN 0.352 nan 8.310 nan 0.000 0.461 102 I N 2.541 123.076 120.570 -0.058 0.000 2.406 102 I HA 0.673 4.843 4.170 -0.000 0.000 0.290 102 I C 0.373 176.598 176.117 0.179 0.000 0.999 102 I CA -0.544 60.833 61.300 0.128 0.000 1.124 102 I CB 1.654 39.681 38.000 0.045 0.000 1.289 102 I HN 0.744 nan 8.210 nan 0.000 0.441 103 A N 4.992 127.997 122.820 0.309 0.000 2.326 103 A HA 0.481 4.801 4.320 -0.000 0.000 0.303 103 A C 0.747 178.320 177.584 -0.018 0.000 1.164 103 A CA -0.567 51.482 52.037 0.020 0.000 0.929 103 A CB 0.525 19.449 19.000 -0.126 0.000 1.363 103 A HN 0.731 nan 8.150 nan 0.000 0.498 104 N N -0.460 118.214 118.700 -0.044 0.000 2.270 104 N HA -0.123 4.617 4.740 -0.000 0.000 0.181 104 N C 1.549 177.031 175.510 -0.048 0.000 1.016 104 N CA 1.277 54.313 53.050 -0.024 0.000 0.870 104 N CB -0.163 38.316 38.487 -0.013 0.000 0.979 104 N HN 0.383 nan 8.380 nan 0.000 0.431 105 V N 1.491 121.328 119.914 -0.128 0.000 3.026 105 V HA -0.178 3.942 4.120 -0.000 0.000 0.265 105 V C 0.754 176.802 176.094 -0.076 0.000 1.121 105 V CA 1.501 63.734 62.300 -0.112 0.000 1.142 105 V CB -0.789 30.952 31.823 -0.136 0.000 0.730 105 V HN 0.355 nan 8.190 nan 0.000 0.503 106 H N -0.415 118.659 119.070 0.007 0.000 2.607 106 H HA 0.083 4.639 4.556 -0.000 0.000 0.288 106 H C 1.925 177.246 175.328 -0.012 0.000 1.058 106 H CA 0.414 56.454 56.048 -0.014 0.000 1.178 106 H CB 0.213 29.957 29.762 -0.031 0.000 1.340 106 H HN 0.565 nan 8.280 nan 0.000 0.591 107 E N 1.335 121.582 120.200 0.078 0.000 2.097 107 E HA -0.155 4.195 4.350 -0.000 0.000 0.196 107 E C -0.715 175.896 176.600 0.019 0.000 1.000 107 E CA 0.811 57.232 56.400 0.035 0.000 0.804 107 E CB -0.394 29.310 29.700 0.008 0.000 0.740 107 E HN 0.429 nan 8.360 nan 0.000 0.454 108 P HA -0.190 nan 4.420 nan 0.000 0.219 108 P C 1.405 178.696 177.300 -0.015 0.000 1.144 108 P CA 0.926 64.012 63.100 -0.024 0.000 0.806 108 P CB -0.094 31.626 31.700 0.033 0.000 0.771 109 L N -1.042 120.235 121.223 0.090 0.000 2.042 109 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 109 L C 2.124 179.024 176.870 0.052 0.000 1.076 109 L CA 1.639 56.559 54.840 0.133 0.000 0.749 109 L CB -0.598 41.495 42.059 0.056 0.000 0.893 109 L HN -0.025 nan 8.230 nan 0.000 0.432 110 I N -0.152 120.418 120.570 0.000 0.000 2.113 110 I HA -0.411 3.759 4.170 -0.000 0.000 0.242 110 I C 2.151 178.239 176.117 -0.048 0.000 1.064 110 I CA 1.794 63.083 61.300 -0.018 0.000 1.320 110 I CB -0.633 37.352 38.000 -0.024 0.000 1.028 110 I HN 0.321 nan 8.210 nan 0.000 0.406 111 D N -0.148 120.177 120.400 -0.126 0.000 2.149 111 D HA -0.183 4.457 4.640 -0.000 0.000 0.198 111 D C 2.105 178.317 176.300 -0.147 0.000 0.990 111 D CA 1.282 55.183 54.000 -0.165 0.000 0.839 111 D CB -0.424 40.225 40.800 -0.251 0.000 0.948 111 D HN 0.450 nan 8.370 nan 0.000 0.460 112 H N 0.150 119.211 119.070 -0.016 0.000 2.456 112 H HA -0.010 4.546 4.556 -0.000 0.000 0.296 112 H C 2.343 177.667 175.328 -0.006 0.000 1.079 112 H CA 0.484 56.524 56.048 -0.014 0.000 1.322 112 H CB 0.109 29.857 29.762 -0.023 0.000 1.388 112 H HN 0.278 nan 8.280 nan 0.000 0.538 113 I N 0.636 121.260 120.570 0.091 0.000 2.235 113 I HA -0.191 3.979 4.170 -0.000 0.000 0.241 113 I C 2.300 178.437 176.117 0.034 0.000 1.085 113 I CA 0.848 62.181 61.300 0.056 0.000 1.378 113 I CB -0.110 37.911 38.000 0.036 0.000 1.076 113 I HN 0.070 nan 8.210 nan 0.000 0.415 114 K N 0.862 121.270 120.400 0.013 0.000 2.103 114 K HA -0.141 4.179 4.320 -0.000 0.000 0.207 114 K C 1.193 177.799 176.600 0.011 0.000 1.048 114 K CA 1.241 57.530 56.287 0.005 0.000 0.930 114 K CB -0.221 32.272 32.500 -0.012 0.000 0.716 114 K HN 0.302 nan 8.250 nan 0.000 0.444 115 N N -0.165 118.545 118.700 0.017 0.000 2.314 115 N HA 0.025 4.765 4.740 -0.000 0.000 0.200 115 N C 0.700 176.233 175.510 0.039 0.000 1.135 115 N CA 0.828 53.893 53.050 0.025 0.000 0.835 115 N CB 1.039 39.541 38.487 0.025 0.000 0.989 115 N HN 0.375 nan 8.380 nan 0.000 0.478 116 G N 0.114 108.938 108.800 0.042 0.000 2.168 116 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.263 116 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.263 116 G C 1.059 175.988 174.900 0.050 0.000 0.977 116 G CA 0.625 45.750 45.100 0.042 0.000 0.659 116 G HN 0.256 nan 8.290 nan 0.000 0.533 117 V N -0.698 119.258 119.914 0.070 0.000 2.358 117 V HA 0.012 4.132 4.120 -0.000 0.000 0.246 117 V C 1.591 177.712 176.094 0.044 0.000 1.047 117 V CA 1.896 64.233 62.300 0.062 0.000 1.035 117 V CB -0.001 31.880 31.823 0.096 0.000 0.658 117 V HN 0.357 nan 8.190 nan 0.000 0.452 118 V N 0.583 120.533 119.914 0.059 0.000 2.448 118 V HA 0.387 4.506 4.120 -0.000 0.000 0.295 118 V C 0.835 176.958 176.094 0.048 0.000 1.025 118 V CA 0.436 62.766 62.300 0.049 0.000 0.859 118 V CB 1.334 33.188 31.823 0.050 0.000 0.988 118 V HN 0.511 nan 8.190 nan 0.000 0.431 119 T N 0.058 114.639 114.554 0.044 0.000 2.975 119 T HA 0.311 4.661 4.350 -0.000 0.000 0.257 119 T C 0.377 175.102 174.700 0.042 0.000 1.003 119 T CA -0.092 62.033 62.100 0.042 0.000 0.932 119 T CB 0.073 68.965 68.868 0.041 0.000 1.087 119 T HN 0.518 nan 8.240 nan 0.000 0.512 120 N N 0.151 118.878 118.700 0.044 0.000 2.324 120 N HA 0.684 5.424 4.740 -0.000 0.000 0.285 120 N C -1.842 173.693 175.510 0.041 0.000 1.076 120 N CA -0.596 52.480 53.050 0.043 0.000 0.864 120 N CB 2.291 40.807 38.487 0.049 0.000 1.632 120 N HN 0.208 nan 8.380 nan 0.000 0.478 121 I N 0.246 120.834 120.570 0.030 0.000 2.647 121 I HA 0.568 4.738 4.170 -0.000 0.000 0.295 121 I C -0.626 175.499 176.117 0.013 0.000 1.078 121 I CA -0.671 60.643 61.300 0.024 0.000 1.048 121 I CB 2.454 40.460 38.000 0.010 0.000 1.239 121 I HN 0.338 nan 8.210 nan 0.000 0.421 122 T N 3.590 118.154 114.554 0.016 0.000 2.971 122 T HA 0.762 5.112 4.350 -0.000 0.000 0.304 122 T C -0.856 173.842 174.700 -0.004 0.000 1.038 122 T CA -0.214 61.887 62.100 0.002 0.000 1.007 122 T CB 1.110 69.987 68.868 0.015 0.000 1.055 122 T HN 0.972 nan 8.240 nan 0.000 0.451 123 S N 2.217 117.898 115.700 -0.031 0.000 2.654 123 S HA 0.416 4.886 4.470 -0.000 0.000 0.267 123 S C 0.912 175.459 174.600 -0.088 0.000 1.151 123 S CA 0.190 58.360 58.200 -0.050 0.000 0.873 123 S CB 0.627 63.793 63.200 -0.057 0.000 1.181 123 S HN 0.684 nan 8.310 nan 0.000 0.489 124 S N -0.197 115.425 115.700 -0.131 0.000 2.362 124 S HA 0.459 4.929 4.470 -0.000 0.000 0.221 124 S C 0.877 175.389 174.600 -0.146 0.000 1.032 124 S CA 1.206 59.297 58.200 -0.181 0.000 0.973 124 S CB -0.909 62.136 63.200 -0.258 0.000 0.849 124 S HN 1.537 nan 8.310 nan 0.000 0.465 125 G N -0.696 108.024 108.800 -0.133 0.000 2.727 125 G HA2 0.591 4.551 3.960 -0.000 0.000 0.289 125 G HA3 0.591 4.551 3.960 -0.000 0.000 0.289 125 G C -0.424 174.440 174.900 -0.059 0.000 1.418 125 G CA -0.558 44.490 45.100 -0.087 0.000 0.818 125 G HN 0.291 nan 8.290 nan 0.000 0.486 126 L N -0.839 120.364 121.223 -0.033 0.000 2.948 126 L HA 0.371 4.711 4.340 -0.000 0.000 0.259 126 L C 0.933 177.807 176.870 0.007 0.000 1.136 126 L CA -0.477 54.357 54.840 -0.010 0.000 0.959 126 L CB 0.107 42.157 42.059 -0.014 0.000 1.370 126 L HN 0.447 nan 8.230 nan 0.000 0.552 127 R N 0.779 121.279 120.500 -0.000 0.000 3.847 127 R HA -0.187 4.153 4.340 -0.000 0.000 0.489 127 R C 0.399 176.702 176.300 0.005 0.000 0.241 127 R CA 1.099 57.204 56.100 0.008 0.000 1.532 127 R CB -1.242 29.069 30.300 0.018 0.000 1.049 127 R HN 0.108 nan 8.270 nan 0.000 0.543 128 D N 1.461 121.865 120.400 0.007 0.000 2.182 128 D HA -0.173 4.467 4.640 -0.000 0.000 0.193 128 D C 1.747 178.048 176.300 0.000 0.000 0.999 128 D CA 2.191 56.193 54.000 0.002 0.000 0.850 128 D CB -0.089 40.713 40.800 0.004 0.000 0.994 128 D HN 0.385 nan 8.370 nan 0.000 0.450 129 K N 0.548 120.950 120.400 0.003 0.000 1.978 129 K HA -0.103 4.217 4.320 -0.000 0.000 0.214 129 K C 2.417 179.020 176.600 0.005 0.000 1.049 129 K CA 0.976 57.264 56.287 0.003 0.000 0.939 129 K CB -0.684 31.819 32.500 0.005 0.000 0.721 129 K HN -0.003 nan 8.250 nan 0.000 0.441 130 V N 1.309 121.233 119.914 0.015 0.000 2.332 130 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 130 V C 2.495 178.591 176.094 0.003 0.000 1.055 130 V CA 2.229 64.538 62.300 0.015 0.000 1.038 130 V CB -1.176 30.664 31.823 0.029 0.000 0.651 130 V HN 0.587 nan 8.190 nan 0.000 0.450 131 G N -0.490 108.310 108.800 0.000 0.000 2.422 131 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.218 131 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.218 131 G C 1.773 176.666 174.900 -0.011 0.000 1.146 131 G CA 1.114 46.209 45.100 -0.008 0.000 0.769 131 G HN 0.616 nan 8.290 nan 0.000 0.547 132 A N 1.362 124.175 122.820 -0.011 0.000 1.865 132 A HA 0.191 4.511 4.320 -0.000 0.000 0.217 132 A C 2.871 180.445 177.584 -0.017 0.000 1.191 132 A CA 2.574 54.601 52.037 -0.017 0.000 0.623 132 A CB -1.062 17.928 19.000 -0.015 0.000 0.826 132 A HN 0.866 nan 8.150 nan 0.000 0.444 133 A N 0.120 122.933 122.820 -0.012 0.000 1.859 133 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 133 A C 2.009 179.588 177.584 -0.009 0.000 1.198 133 A CA 1.851 53.881 52.037 -0.011 0.000 0.629 133 A CB -0.709 18.287 19.000 -0.007 0.000 0.830 133 A HN 0.426 nan 8.150 nan 0.000 0.446 134 I N 0.078 120.643 120.570 -0.007 0.000 2.315 134 I HA -0.190 3.980 4.170 -0.000 0.000 0.251 134 I C 2.535 178.647 176.117 -0.009 0.000 1.125 134 I CA 1.873 63.169 61.300 -0.007 0.000 1.392 134 I CB -1.381 36.613 38.000 -0.010 0.000 1.065 134 I HN 0.318 nan 8.210 nan 0.000 0.424 135 S N 0.194 115.886 115.700 -0.014 0.000 2.481 135 S HA -0.147 4.323 4.470 -0.000 0.000 0.231 135 S C 1.571 176.157 174.600 -0.023 0.000 0.996 135 S CA 0.867 59.057 58.200 -0.018 0.000 0.942 135 S CB -0.176 63.008 63.200 -0.028 0.000 0.768 135 S HN 0.685 nan 8.310 nan 0.000 0.520 136 E N -0.405 119.783 120.200 -0.020 0.000 2.463 136 E HA 0.330 4.680 4.350 -0.000 0.000 0.193 136 E C 0.960 177.555 176.600 -0.009 0.000 1.041 136 E CA 0.525 56.913 56.400 -0.020 0.000 0.879 136 E CB -0.085 29.602 29.700 -0.022 0.000 0.997 136 E HN 0.326 nan 8.360 nan 0.000 0.478 137 G N 1.301 110.100 108.800 -0.002 0.000 2.141 137 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.231 137 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.231 137 G C 0.340 175.244 174.900 0.007 0.000 0.984 137 G CA 0.031 45.135 45.100 0.006 0.000 0.660 137 G HN 0.220 nan 8.290 nan 0.000 0.525 141 N N 1.766 120.495 118.700 0.049 0.000 2.483 141 N HA 0.310 5.050 4.740 -0.000 0.000 0.269 141 N C -2.710 172.821 175.510 0.035 0.000 1.209 141 N CA -1.408 51.678 53.050 0.059 0.000 0.969 141 N CB 1.259 39.782 38.487 0.060 0.000 1.173 141 N HN -0.013 nan 8.380 nan 0.000 0.475 142 P HA 0.109 nan 4.420 nan 0.000 0.280 142 P C -0.831 176.439 177.300 -0.049 0.000 1.244 142 P CA -0.331 62.741 63.100 -0.047 0.000 0.784 142 P CB 0.840 32.447 31.700 -0.155 0.000 0.913 143 V N 4.705 124.586 119.914 -0.054 0.000 2.572 143 V HA 0.047 4.167 4.120 -0.000 0.000 0.291 143 V C 0.641 176.688 176.094 -0.079 0.000 1.039 143 V CA 0.051 62.323 62.300 -0.046 0.000 1.055 143 V CB 0.110 31.908 31.823 -0.042 0.000 0.969 143 V HN 0.388 nan 8.190 nan 0.000 0.482 144 I N 6.319 126.854 120.570 -0.058 0.000 2.301 144 I HA 0.361 4.531 4.170 -0.000 0.000 0.292 144 I C 0.153 176.224 176.117 -0.077 0.000 1.046 144 I CA -0.062 61.189 61.300 -0.081 0.000 1.282 144 I CB 0.854 38.841 38.000 -0.022 0.000 1.409 144 I HN 0.448 nan 8.210 nan 0.000 0.484 145 I N 7.471 127.978 120.570 -0.105 0.000 2.353 145 I HA 0.356 4.526 4.170 -0.000 0.000 0.293 145 I C 0.372 176.431 176.117 -0.097 0.000 0.992 145 I CA -0.430 60.813 61.300 -0.095 0.000 1.268 145 I CB 0.851 38.791 38.000 -0.100 0.000 1.387 145 I HN 0.458 nan 8.210 nan 0.000 0.478 146 R N 3.706 124.153 120.500 -0.088 0.000 2.795 146 R HA 0.471 4.811 4.340 -0.000 0.000 0.275 146 R C -0.522 175.709 176.300 -0.114 0.000 0.981 146 R CA -0.793 55.254 56.100 -0.089 0.000 0.917 146 R CB 2.215 32.480 30.300 -0.057 0.000 1.202 146 R HN 0.729 nan 8.270 nan 0.000 0.469 147 S N 0.151 115.772 115.700 -0.132 0.000 2.624 147 S HA 0.076 4.546 4.470 -0.000 0.000 0.263 147 S C 0.971 175.524 174.600 -0.078 0.000 1.287 147 S CA -0.544 57.558 58.200 -0.163 0.000 0.990 147 S CB 0.567 63.670 63.200 -0.162 0.000 0.950 147 S HN 0.601 nan 8.310 nan 0.000 0.561 148 H N 1.431 120.522 119.070 0.034 0.000 2.390 148 H HA -0.046 4.510 4.556 -0.000 0.000 0.298 148 H C 2.299 177.688 175.328 0.102 0.000 1.106 148 H CA 1.780 57.893 56.048 0.108 0.000 1.297 148 H CB -1.075 28.878 29.762 0.320 0.000 1.375 148 H HN 0.839 nan 8.280 nan 0.000 0.509 149 G N -0.167 108.716 108.800 0.139 0.000 2.403 149 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.216 149 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.216 149 G C 2.084 176.970 174.900 -0.023 0.000 1.154 149 G CA 0.727 45.847 45.100 0.033 0.000 0.784 149 G HN 0.525 nan 8.290 nan 0.000 0.538 150 G N 0.412 109.171 108.800 -0.069 0.000 2.422 150 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 150 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 150 G C 1.781 176.652 174.900 -0.048 0.000 1.146 150 G CA 1.048 46.093 45.100 -0.091 0.000 0.769 150 G HN 0.473 nan 8.290 nan 0.000 0.547 151 R N 0.513 121.011 120.500 -0.005 0.000 2.081 151 R HA 0.053 4.393 4.340 -0.000 0.000 0.235 151 R C 2.841 179.143 176.300 0.003 0.000 1.131 151 R CA 1.484 57.592 56.100 0.013 0.000 0.960 151 R CB -0.394 29.942 30.300 0.059 0.000 0.856 151 R HN 0.273 nan 8.270 nan 0.000 0.436 152 A N 1.402 124.244 122.820 0.036 0.000 1.902 152 A HA -0.171 4.148 4.320 -0.000 0.000 0.217 152 A C 2.233 179.772 177.584 -0.075 0.000 1.181 152 A CA 1.300 53.349 52.037 0.019 0.000 0.623 152 A CB -0.648 18.406 19.000 0.090 0.000 0.818 152 A HN 0.368 nan 8.150 nan 0.000 0.443 153 R N -0.162 120.290 120.500 -0.079 0.000 2.080 153 R HA -0.152 4.188 4.340 -0.000 0.000 0.236 153 R C 2.346 178.533 176.300 -0.188 0.000 1.137 153 R CA 1.703 57.718 56.100 -0.143 0.000 0.943 153 R CB -0.578 29.642 30.300 -0.134 0.000 0.846 153 R HN 0.421 nan 8.270 nan 0.000 0.431 154 A N 1.432 124.172 122.820 -0.132 0.000 1.892 154 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 154 A C 2.288 179.779 177.584 -0.156 0.000 1.188 154 A CA 1.749 53.715 52.037 -0.119 0.000 0.631 154 A CB -0.626 18.339 19.000 -0.059 0.000 0.822 154 A HN 0.410 nan 8.150 nan 0.000 0.447 155 I N -0.461 120.002 120.570 -0.178 0.000 2.286 155 I HA -0.275 3.895 4.170 -0.000 0.000 0.248 155 I C 2.894 178.728 176.117 -0.472 0.000 1.115 155 I CA 1.116 62.261 61.300 -0.258 0.000 1.392 155 I CB -0.348 37.522 38.000 -0.217 0.000 1.065 155 I HN 0.378 nan 8.210 nan 0.000 0.418 156 A N 0.122 122.615 122.820 -0.544 0.000 1.968 156 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 156 A C 2.276 179.688 177.584 -0.287 0.000 1.169 156 A CA 1.810 53.486 52.037 -0.602 0.000 0.638 156 A CB -0.808 17.968 19.000 -0.372 0.000 0.812 156 A HN 0.356 nan 8.150 nan 0.000 0.446 157 T N -0.741 113.616 114.554 -0.328 0.000 3.085 157 T HA 0.032 4.382 4.350 -0.000 0.000 0.263 157 T C 0.672 175.303 174.700 -0.115 0.000 1.127 157 T CA 1.025 62.933 62.100 -0.320 0.000 1.103 157 T CB -0.210 68.444 68.868 -0.358 0.000 0.921 157 T HN 0.558 nan 8.240 nan 0.000 0.510 158 D N 1.247 121.593 120.400 -0.089 0.000 3.077 158 D HA -0.135 4.505 4.640 -0.000 0.000 0.212 158 D C 0.174 176.483 176.300 0.014 0.000 1.125 158 D CA 1.111 55.122 54.000 0.018 0.000 0.970 158 D CB -1.323 39.531 40.800 0.090 0.000 1.110 158 D HN 0.614 nan 8.370 nan 0.000 0.419 159 D N 0.358 120.737 120.400 -0.034 0.000 2.332 159 D HA 0.137 4.777 4.640 -0.000 0.000 0.244 159 D C 1.159 177.457 176.300 -0.002 0.000 1.136 159 D CA -0.004 53.982 54.000 -0.024 0.000 0.884 159 D CB -0.086 40.686 40.800 -0.046 0.000 0.906 159 D HN 0.603 nan 8.370 nan 0.000 0.520 160 I N -1.038 119.542 120.570 0.016 0.000 2.785 160 I HA 0.280 4.450 4.170 -0.000 0.000 0.293 160 I C -2.225 173.938 176.117 0.077 0.000 1.446 160 I CA -0.747 60.574 61.300 0.036 0.000 1.028 160 I CB 2.225 40.229 38.000 0.005 0.000 1.349 160 I HN -0.039 nan 8.210 nan 0.000 0.438 161 H N 7.667 126.731 119.070 -0.009 0.000 2.934 161 H HA 0.484 5.039 4.556 -0.000 0.000 0.340 161 H C -1.410 173.918 175.328 -0.000 0.000 1.008 161 H CA -0.454 55.593 56.048 -0.002 0.000 1.317 161 H CB 2.063 31.826 29.762 0.003 0.000 1.670 161 H HN 0.497 nan 8.280 nan 0.000 0.516 162 I N 4.823 125.292 120.570 -0.168 0.000 2.396 162 I HA -0.021 4.149 4.170 -0.000 0.000 0.289 162 I C 1.083 177.184 176.117 -0.027 0.000 1.056 162 I CA -0.169 61.081 61.300 -0.083 0.000 1.365 162 I CB 0.907 38.836 38.000 -0.118 0.000 1.407 162 I HN 0.591 nan 8.210 nan 0.000 0.509 163 D N 4.855 125.262 120.400 0.011 0.000 2.110 163 D HA 0.029 4.669 4.640 -0.000 0.000 0.202 163 D C 0.273 176.528 176.300 -0.074 0.000 0.975 163 D CA 1.558 55.569 54.000 0.018 0.000 0.839 163 D CB 0.535 41.351 40.800 0.027 0.000 0.996 163 D HN 0.210 nan 8.370 nan 0.000 0.464 164 V N 0.502 120.320 119.914 -0.159 0.000 2.686 164 V HA 0.579 4.699 4.120 -0.000 0.000 0.306 164 V C -0.669 175.120 176.094 -0.509 0.000 1.065 164 V CA -1.022 61.067 62.300 -0.352 0.000 0.894 164 V CB 1.883 33.435 31.823 -0.451 0.000 1.004 164 V HN 0.121 nan 8.190 nan 0.000 0.424 165 A N 4.504 127.014 122.820 -0.517 0.000 2.287 165 A HA 0.868 5.188 4.320 -0.000 0.000 0.317 165 A C -1.045 176.217 177.584 -0.537 0.000 1.220 165 A CA -0.286 51.481 52.037 -0.450 0.000 0.835 165 A CB 0.305 19.175 19.000 -0.217 0.000 1.180 165 A HN 0.632 nan 8.150 nan 0.000 0.500 166 F N 3.218 122.981 119.950 -0.311 0.000 2.313 166 F HA 0.433 4.960 4.527 -0.000 0.000 0.369 166 F C 0.000 175.802 175.800 0.003 0.000 1.109 166 F CA -0.247 57.679 58.000 -0.123 0.000 1.132 166 F CB 0.942 39.888 39.000 -0.090 0.000 1.291 166 F HN 0.342 nan 8.300 nan 0.000 0.496 167 L N 3.016 124.366 121.223 0.211 0.000 2.307 167 L HA 0.666 5.006 4.340 -0.000 0.000 0.284 167 L C 0.625 177.699 176.870 0.338 0.000 1.023 167 L CA -0.983 54.031 54.840 0.289 0.000 0.810 167 L CB 1.623 43.843 42.059 0.267 0.000 1.231 167 L HN 0.640 nan 8.230 nan 0.000 0.423 168 G N 1.827 110.885 108.800 0.430 0.000 2.372 168 G HA2 0.616 4.576 3.960 -0.000 0.000 0.283 168 G HA3 0.616 4.576 3.960 -0.000 0.000 0.283 168 G C -0.705 174.525 174.900 0.551 0.000 1.177 168 G CA -0.224 45.177 45.100 0.502 0.000 0.842 168 G HN 0.742 nan 8.290 nan 0.000 0.503 169 A N 4.380 127.423 122.820 0.372 0.000 2.375 169 A HA 0.768 5.088 4.320 -0.000 0.000 0.295 169 A C -1.580 176.148 177.584 0.240 0.000 1.066 169 A CA -1.422 50.763 52.037 0.246 0.000 0.722 169 A CB 2.243 21.323 19.000 0.132 0.000 1.206 169 A HN 0.433 nan 8.150 nan 0.000 0.435 170 P HA -0.064 nan 4.420 nan 0.000 0.228 170 P C 0.314 177.673 177.300 0.098 0.000 1.151 170 P CA 1.470 64.687 63.100 0.195 0.000 0.770 170 P CB 0.078 31.898 31.700 0.200 0.000 0.786 171 S N -2.674 113.070 115.700 0.073 0.000 2.537 171 S HA 0.623 5.093 4.470 -0.000 0.000 0.271 171 S C -0.935 173.689 174.600 0.039 0.000 1.148 171 S CA -0.690 57.537 58.200 0.044 0.000 0.868 171 S CB 1.974 65.183 63.200 0.016 0.000 1.115 171 S HN 0.048 nan 8.310 nan 0.000 0.461 172 S N 0.795 116.521 115.700 0.043 0.000 2.580 172 S HA 0.526 4.996 4.470 -0.000 0.000 0.281 172 S C -1.891 172.748 174.600 0.066 0.000 1.129 172 S CA -0.544 57.685 58.200 0.049 0.000 0.862 172 S CB 0.953 64.195 63.200 0.070 0.000 1.090 172 S HN 1.044 nan 8.310 nan 0.000 0.451 173 D N 2.148 122.597 120.400 0.081 0.000 2.478 173 D HA 0.613 5.253 4.640 -0.000 0.000 0.269 173 D C 0.900 177.309 176.300 0.182 0.000 1.232 173 D CA -0.219 53.861 54.000 0.133 0.000 1.059 173 D CB 0.332 41.234 40.800 0.171 0.000 1.104 173 D HN 0.627 nan 8.370 nan 0.000 0.566 174 A N -1.263 121.688 122.820 0.218 0.000 2.310 174 A HA 0.077 4.397 4.320 -0.000 0.000 0.230 174 A C 0.145 177.927 177.584 0.330 0.000 1.294 174 A CA 0.072 52.237 52.037 0.213 0.000 0.898 174 A CB -1.012 18.083 19.000 0.159 0.000 0.917 174 A HN 0.539 nan 8.150 nan 0.000 0.491 175 Y N -1.943 118.446 120.300 0.149 0.000 2.540 175 Y HA 0.368 4.918 4.550 -0.000 0.000 0.257 175 Y C 1.540 177.498 175.900 0.097 0.000 1.090 175 Y CA 0.036 58.215 58.100 0.131 0.000 1.242 175 Y CB 1.000 39.596 38.460 0.227 0.000 1.325 175 Y HN 0.449 nan 8.280 nan 0.000 0.544 176 G N -0.012 108.887 108.800 0.165 0.000 2.284 176 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.201 176 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.201 176 G C -0.089 174.839 174.900 0.047 0.000 0.998 176 G CA -0.308 44.828 45.100 0.060 0.000 0.651 176 G HN 0.176 nan 8.290 nan 0.000 0.489 177 N N 2.004 120.742 118.700 0.063 0.000 2.438 177 N HA 0.511 5.251 4.740 -0.000 0.000 0.267 177 N C 0.258 175.759 175.510 -0.015 0.000 1.222 177 N CA 1.206 54.252 53.050 -0.007 0.000 0.930 177 N CB 1.327 39.772 38.487 -0.071 0.000 1.083 177 N HN 0.893 nan 8.380 nan 0.000 0.476 178 A N 2.669 125.472 122.820 -0.029 0.000 2.469 178 A HA 0.720 5.040 4.320 -0.000 0.000 0.299 178 A C -0.378 177.167 177.584 -0.066 0.000 1.098 178 A CA -0.809 51.212 52.037 -0.026 0.000 0.737 178 A CB 1.422 20.423 19.000 0.003 0.000 1.312 178 A HN 0.793 nan 8.150 nan 0.000 0.414 179 N N -1.459 117.199 118.700 -0.069 0.000 2.825 179 N HA 0.563 5.303 4.740 -0.000 0.000 0.253 179 N C 0.002 175.442 175.510 -0.117 0.000 1.426 179 N CA -0.090 52.890 53.050 -0.117 0.000 0.851 179 N CB 1.058 39.471 38.487 -0.124 0.000 1.470 179 N HN 0.659 nan 8.380 nan 0.000 0.517 180 G N -1.892 106.799 108.800 -0.182 0.000 3.575 180 G HA2 0.149 4.109 3.960 -0.000 0.000 0.273 180 G HA3 0.149 4.109 3.960 -0.000 0.000 0.273 180 G C 0.165 174.975 174.900 -0.150 0.000 1.053 180 G CA 0.371 45.359 45.100 -0.187 0.000 0.803 180 G HN 0.810 nan 8.290 nan 0.000 0.528 181 T N -2.813 111.663 114.554 -0.131 0.000 3.132 181 T HA 0.437 4.787 4.350 -0.000 0.000 0.274 181 T C 0.425 175.088 174.700 -0.061 0.000 1.011 181 T CA -0.521 61.512 62.100 -0.112 0.000 0.899 181 T CB 0.762 69.535 68.868 -0.157 0.000 1.089 181 T HN -0.022 nan 8.240 nan 0.000 0.543 182 R N 0.674 121.152 120.500 -0.036 0.000 2.604 182 R HA 0.794 5.134 4.340 -0.000 0.000 0.281 182 R C 0.081 176.389 176.300 0.014 0.000 1.020 182 R CA -0.171 55.921 56.100 -0.013 0.000 0.899 182 R CB 1.594 31.878 30.300 -0.027 0.000 1.205 182 R HN 0.485 nan 8.270 nan 0.000 0.450 183 G N 1.420 110.234 108.800 0.024 0.000 2.347 183 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.477 183 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.477 183 G C -0.048 174.872 174.900 0.033 0.000 1.349 183 G CA -0.210 44.910 45.100 0.033 0.000 1.000 183 G HN 0.537 nan 8.290 nan 0.000 0.605 184 K N -1.776 118.638 120.400 0.023 0.000 2.459 184 K HA 0.229 4.549 4.320 -0.000 0.000 0.193 184 K C 0.441 177.040 176.600 -0.000 0.000 1.030 184 K CA 1.211 57.502 56.287 0.007 0.000 1.026 184 K CB 0.332 32.831 32.500 -0.002 0.000 0.809 184 K HN 0.380 nan 8.250 nan 0.000 0.504 185 T N 2.171 116.738 114.554 0.022 0.000 3.583 185 T HA 0.083 4.433 4.350 -0.000 0.000 0.266 185 T C -0.495 174.318 174.700 0.188 0.000 1.296 185 T CA -0.646 61.466 62.100 0.020 0.000 1.668 185 T CB 0.959 69.750 68.868 -0.128 0.000 0.832 185 T HN 0.353 nan 8.240 nan 0.000 0.649 186 T N -1.143 113.515 114.554 0.173 0.000 2.788 186 T HA 0.374 4.724 4.350 -0.000 0.000 0.287 186 T C 1.340 176.158 174.700 0.197 0.000 1.007 186 T CA -0.312 61.893 62.100 0.175 0.000 1.005 186 T CB 1.013 69.941 68.868 0.099 0.000 1.012 186 T HN 0.683 nan 8.240 nan 0.000 0.530 187 C N -1.531 117.773 119.300 0.006 0.000 4.095 187 C HA 0.765 5.225 4.460 -0.000 0.000 0.327 187 C C 1.530 176.382 174.990 -0.229 0.000 1.811 187 C CA 0.081 59.023 59.018 -0.126 0.000 1.785 187 C CB -0.968 26.508 27.740 -0.440 0.000 3.120 187 C HN 1.656 nan 8.230 nan 0.000 0.621 188 G N 1.955 110.622 108.800 -0.222 0.000 2.552 188 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.267 188 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.267 188 G C 0.134 174.792 174.900 -0.404 0.000 1.174 188 G CA 0.483 45.416 45.100 -0.278 0.000 0.955 188 G HN 1.523 nan 8.290 nan 0.000 0.546 189 S N -0.326 115.104 115.700 -0.450 0.000 2.576 189 S HA 0.479 4.949 4.470 -0.000 0.000 0.272 189 S C 0.937 174.962 174.600 -0.959 0.000 1.352 189 S CA 0.682 58.548 58.200 -0.557 0.000 1.021 189 S CB 0.289 63.222 63.200 -0.445 0.000 0.887 189 S HN 1.015 nan 8.310 nan 0.000 0.542 190 L N 3.409 124.132 121.223 -0.833 0.000 3.393 190 L HA 0.313 4.653 4.340 -0.000 0.000 0.319 190 L C 1.819 178.445 176.870 -0.406 0.000 1.309 190 L CA -0.226 54.071 54.840 -0.904 0.000 0.962 190 L CB -0.104 41.625 42.059 -0.550 0.000 1.391 190 L HN 0.927 nan 8.230 nan 0.000 0.607 191 G N -0.181 108.382 108.800 -0.396 0.000 2.450 191 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.220 191 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.220 191 G C 1.058 175.840 174.900 -0.197 0.000 1.130 191 G CA 1.031 45.947 45.100 -0.307 0.000 0.760 191 G HN 0.310 nan 8.290 nan 0.000 0.557 192 Y N 1.106 121.478 120.300 0.120 0.000 2.314 192 Y HA 0.440 4.990 4.550 -0.000 0.000 0.294 192 Y C 2.335 178.267 175.900 0.052 0.000 1.119 192 Y CA -0.563 57.535 58.100 -0.004 0.000 1.179 192 Y CB -0.839 37.501 38.460 -0.200 0.000 1.025 192 Y HN 0.270 nan 8.280 nan 0.000 0.541 196 D N 2.397 122.869 120.400 0.120 0.000 2.092 196 D HA -0.070 4.570 4.640 -0.000 0.000 0.193 196 D C 2.126 178.438 176.300 0.020 0.000 0.994 196 D CA 2.037 56.084 54.000 0.077 0.000 0.828 196 D CB -0.088 40.751 40.800 0.065 0.000 0.963 196 D HN 0.504 nan 8.370 nan 0.000 0.450 197 A N 0.035 122.853 122.820 -0.005 0.000 2.178 197 A HA -0.162 4.157 4.320 -0.000 0.000 0.218 197 A C 1.944 179.469 177.584 -0.097 0.000 1.157 197 A CA 1.285 53.291 52.037 -0.052 0.000 0.689 197 A CB -0.419 18.553 19.000 -0.047 0.000 0.787 197 A HN 0.148 nan 8.150 nan 0.000 0.465 198 K N -2.254 118.071 120.400 -0.124 0.000 2.242 198 K HA 0.029 4.349 4.320 -0.000 0.000 0.200 198 K C 0.892 177.220 176.600 -0.453 0.000 1.050 198 K CA 0.838 56.941 56.287 -0.306 0.000 0.981 198 K CB -0.007 32.261 32.500 -0.387 0.000 0.795 198 K HN 0.491 nan 8.250 nan 0.000 0.477 199 Y N -0.119 120.142 120.300 -0.066 0.000 2.430 199 Y HA 0.396 4.946 4.550 -0.000 0.000 0.248 199 Y C 0.549 176.336 175.900 -0.188 0.000 1.108 199 Y CA -0.347 57.690 58.100 -0.104 0.000 1.264 199 Y CB 0.565 38.964 38.460 -0.103 0.000 1.172 199 Y HN -0.017 nan 8.280 nan 0.000 0.520 200 A N 0.485 123.281 122.820 -0.040 0.000 2.386 200 A HA 0.094 4.414 4.320 -0.000 0.000 0.248 200 A C 0.782 178.317 177.584 -0.082 0.000 1.082 200 A CA -0.030 51.941 52.037 -0.111 0.000 0.789 200 A CB 0.205 19.140 19.000 -0.110 0.000 1.025 200 A HN 0.258 nan 8.150 nan 0.000 0.490 201 D N 0.038 120.410 120.400 -0.046 0.000 2.091 201 D HA -0.022 4.618 4.640 -0.000 0.000 0.199 201 D C 0.482 176.754 176.300 -0.046 0.000 0.980 201 D CA 1.487 55.495 54.000 0.013 0.000 0.831 201 D CB 0.116 40.967 40.800 0.084 0.000 0.987 201 D HN 0.655 nan 8.370 nan 0.000 0.460 202 Q N 0.085 119.837 119.800 -0.080 0.000 2.353 202 Q HA 0.524 4.864 4.340 -0.000 0.000 0.268 202 Q C -1.305 174.594 176.000 -0.169 0.000 1.045 202 Q CA -0.519 55.217 55.803 -0.111 0.000 0.811 202 Q CB 3.312 32.003 28.738 -0.078 0.000 1.305 202 Q HN -0.143 nan 8.270 nan 0.000 0.447 203 V N 2.906 122.726 119.914 -0.157 0.000 2.487 203 V HA 0.410 4.530 4.120 -0.000 0.000 0.298 203 V C -0.639 175.389 176.094 -0.110 0.000 1.028 203 V CA -0.662 61.543 62.300 -0.158 0.000 0.860 203 V CB 1.965 33.720 31.823 -0.113 0.000 0.991 203 V HN 0.500 nan 8.190 nan 0.000 0.427 204 V N 6.518 126.358 119.914 -0.122 0.000 2.376 204 V HA 0.471 4.591 4.120 -0.000 0.000 0.287 204 V C -0.254 175.900 176.094 0.099 0.000 1.015 204 V CA -0.526 61.794 62.300 0.032 0.000 0.834 204 V CB 1.506 33.365 31.823 0.061 0.000 1.001 204 V HN 0.812 nan 8.190 nan 0.000 0.428 205 I N 4.273 124.912 120.570 0.116 0.000 2.353 205 I HA 0.669 4.838 4.170 -0.000 0.000 0.293 205 I C -0.304 175.918 176.117 0.176 0.000 0.992 205 I CA -0.047 61.340 61.300 0.145 0.000 1.268 205 I CB 1.643 39.708 38.000 0.109 0.000 1.387 205 I HN 0.232 nan 8.210 nan 0.000 0.478 206 V N 5.743 125.780 119.914 0.205 0.000 2.311 206 V HA 0.405 4.525 4.120 -0.000 0.000 0.275 206 V C 0.501 176.696 176.094 0.168 0.000 1.022 206 V CA -0.294 62.117 62.300 0.186 0.000 0.830 206 V CB 0.510 32.452 31.823 0.199 0.000 1.012 206 V HN 0.952 nan 8.190 nan 0.000 0.452 207 T N 1.743 116.378 114.554 0.134 0.000 2.944 207 T HA 0.291 4.641 4.350 -0.000 0.000 0.284 207 T C 0.596 175.348 174.700 0.087 0.000 1.010 207 T CA -0.301 61.870 62.100 0.118 0.000 1.025 207 T CB 1.661 70.591 68.868 0.102 0.000 1.079 207 T HN 0.746 nan 8.240 nan 0.000 0.516 208 D N 0.525 120.968 120.400 0.071 0.000 2.388 208 D HA 0.127 4.766 4.640 -0.000 0.000 0.208 208 D C 0.388 176.712 176.300 0.040 0.000 1.035 208 D CA 0.607 54.631 54.000 0.041 0.000 0.875 208 D CB 0.521 41.325 40.800 0.008 0.000 0.984 208 D HN 0.695 nan 8.370 nan 0.000 0.508 209 T N -1.086 113.497 114.554 0.049 0.000 3.011 209 T HA 0.451 4.801 4.350 -0.000 0.000 0.303 209 T C -0.647 174.081 174.700 0.047 0.000 0.997 209 T CA -0.802 61.322 62.100 0.041 0.000 1.007 209 T CB 1.126 70.014 68.868 0.033 0.000 1.017 209 T HN -0.050 nan 8.240 nan 0.000 0.443 210 L N 4.254 125.505 121.223 0.047 0.000 2.276 210 L HA 0.676 5.016 4.340 -0.000 0.000 0.286 210 L C -0.611 176.286 176.870 0.045 0.000 1.061 210 L CA -0.721 54.151 54.840 0.054 0.000 0.807 210 L CB 1.035 43.129 42.059 0.058 0.000 1.177 210 L HN 0.618 nan 8.230 nan 0.000 0.429 211 V N 6.243 126.184 119.914 0.046 0.000 2.667 211 V HA 0.463 4.583 4.120 -0.000 0.000 0.308 211 V C -1.970 174.153 176.094 0.048 0.000 1.048 211 V CA -1.589 60.731 62.300 0.033 0.000 0.928 211 V CB 1.806 33.637 31.823 0.014 0.000 1.004 211 V HN 0.690 nan 8.190 nan 0.000 0.444 212 P HA 0.051 nan 4.420 nan 0.000 0.269 212 P C -1.052 176.296 177.300 0.081 0.000 1.209 212 P CA -0.125 63.014 63.100 0.066 0.000 0.776 212 P CB 0.472 32.199 31.700 0.046 0.000 0.876 213 Y N 4.738 125.032 120.300 -0.010 0.000 2.411 213 Y HA 0.244 4.794 4.550 -0.000 0.000 0.333 213 Y C -1.537 174.348 175.900 -0.026 0.000 1.186 213 Y CA -1.133 56.956 58.100 -0.019 0.000 1.381 213 Y CB 0.034 38.462 38.460 -0.053 0.000 1.273 213 Y HN 0.321 nan 8.280 nan 0.000 0.546 214 P HA 0.222 nan 4.420 nan 0.000 0.296 214 P C -1.506 175.567 177.300 -0.378 0.000 1.301 214 P CA -0.688 61.870 63.100 -0.903 0.000 0.862 214 P CB 1.434 32.588 31.700 -0.909 0.000 1.046 215 N N 1.573 120.087 118.700 -0.309 0.000 2.529 215 N HA 0.386 5.126 4.740 -0.000 0.000 0.278 215 N C -0.806 174.614 175.510 -0.151 0.000 1.146 215 N CA 0.180 53.136 53.050 -0.156 0.000 0.980 215 N CB 0.442 38.875 38.487 -0.091 0.000 1.124 215 N HN 0.567 nan 8.380 nan 0.000 0.458 216 T N 0.099 114.586 114.554 -0.112 0.000 2.932 216 T HA 0.531 4.881 4.350 -0.000 0.000 0.318 216 T C -2.832 171.813 174.700 -0.091 0.000 1.265 216 T CA -1.320 60.717 62.100 -0.105 0.000 1.036 216 T CB 1.023 69.831 68.868 -0.100 0.000 1.209 216 T HN 0.247 nan 8.240 nan 0.000 0.484 217 P HA 0.468 nan 4.420 nan 0.000 0.272 217 P C -0.741 176.487 177.300 -0.121 0.000 1.254 217 P CA -0.601 62.428 63.100 -0.118 0.000 0.795 217 P CB 0.363 31.975 31.700 -0.146 0.000 1.022 218 I N 0.442 120.937 120.570 -0.124 0.000 2.420 218 I HA 0.138 4.308 4.170 -0.000 0.000 0.282 218 I C 0.660 176.700 176.117 -0.128 0.000 1.019 218 I CA -0.015 61.216 61.300 -0.115 0.000 1.130 218 I CB 1.367 39.309 38.000 -0.097 0.000 1.262 218 I HN 0.199 nan 8.210 nan 0.000 0.454 219 S N 5.449 121.066 115.700 -0.138 0.000 2.456 219 S HA 0.349 4.819 4.470 -0.000 0.000 0.224 219 S C 0.665 175.191 174.600 -0.123 0.000 1.035 219 S CA 0.573 58.678 58.200 -0.158 0.000 0.940 219 S CB 0.273 63.353 63.200 -0.200 0.000 0.799 219 S HN 0.447 nan 8.310 nan 0.000 0.508 220 I N 3.204 123.716 120.570 -0.097 0.000 2.468 220 I HA 0.325 4.495 4.170 -0.000 0.000 0.285 220 I C -2.697 173.384 176.117 -0.060 0.000 1.039 220 I CA -2.451 58.804 61.300 -0.075 0.000 1.074 220 I CB 2.679 40.644 38.000 -0.059 0.000 1.228 220 I HN -0.049 nan 8.210 nan 0.000 0.436 221 P HA 0.088 nan 4.420 nan 0.000 0.274 221 P C 0.025 177.306 177.300 -0.032 0.000 1.237 221 P CA -0.310 62.766 63.100 -0.041 0.000 0.793 221 P CB 0.798 32.473 31.700 -0.043 0.000 0.977 222 Q N 0.790 120.593 119.800 0.005 0.000 2.234 222 Q HA -0.122 4.218 4.340 -0.000 0.000 0.206 222 Q C 1.204 177.150 176.000 -0.089 0.000 0.980 222 Q CA 2.075 57.872 55.803 -0.009 0.000 0.869 222 Q CB -1.463 27.363 28.738 0.146 0.000 0.912 222 Q HN 0.512 nan 8.270 nan 0.000 0.436 223 T N -2.175 112.345 114.554 -0.057 0.000 3.113 223 T HA -0.041 4.309 4.350 -0.000 0.000 0.263 223 T C 0.599 175.239 174.700 -0.100 0.000 1.143 223 T CA 0.938 62.991 62.100 -0.078 0.000 1.090 223 T CB 0.076 68.915 68.868 -0.049 0.000 0.922 223 T HN 0.199 nan 8.240 nan 0.000 0.521 224 D N 0.437 120.777 120.400 -0.099 0.000 2.433 224 D HA 0.262 4.902 4.640 -0.000 0.000 0.211 224 D C -0.019 176.212 176.300 -0.115 0.000 1.114 224 D CA -0.021 53.915 54.000 -0.107 0.000 0.837 224 D CB 0.806 41.548 40.800 -0.098 0.000 0.984 224 D HN 0.302 nan 8.370 nan 0.000 0.505 225 V N 1.324 121.160 119.914 -0.129 0.000 2.547 225 V HA 0.238 4.358 4.120 -0.000 0.000 0.299 225 V C 0.769 176.732 176.094 -0.219 0.000 1.040 225 V CA -0.486 61.732 62.300 -0.136 0.000 0.913 225 V CB 2.660 34.430 31.823 -0.089 0.000 0.992 225 V HN -0.092 nan 8.190 nan 0.000 0.449 226 D N 1.238 121.489 120.400 -0.249 0.000 2.525 226 D HA 0.130 4.770 4.640 -0.000 0.000 0.248 226 D C -0.599 175.301 176.300 -0.667 0.000 1.000 226 D CA 1.207 54.913 54.000 -0.490 0.000 0.923 226 D CB 0.800 41.296 40.800 -0.506 0.000 1.101 226 D HN 0.501 nan 8.370 nan 0.000 0.493 227 Y N -0.272 120.001 120.300 -0.046 0.000 2.553 227 Y HA 0.458 5.008 4.550 -0.000 0.000 0.347 227 Y C -0.674 175.239 175.900 0.022 0.000 1.019 227 Y CA -0.981 57.115 58.100 -0.007 0.000 1.032 227 Y CB 1.683 40.149 38.460 0.011 0.000 1.284 227 Y HN -0.303 nan 8.280 nan 0.000 0.466 228 I N 2.176 122.883 120.570 0.229 0.000 2.498 228 I HA 0.574 4.744 4.170 -0.000 0.000 0.290 228 I C -1.059 175.151 176.117 0.155 0.000 1.032 228 I CA -0.772 60.626 61.300 0.164 0.000 1.073 228 I CB 2.021 40.103 38.000 0.135 0.000 1.251 228 I HN 0.344 nan 8.210 nan 0.000 0.426 229 V N 7.290 127.290 119.914 0.142 0.000 2.588 229 V HA 0.655 4.775 4.120 -0.000 0.000 0.304 229 V C -1.004 175.152 176.094 0.104 0.000 1.042 229 V CA -0.542 61.828 62.300 0.117 0.000 0.877 229 V CB 2.159 34.053 31.823 0.118 0.000 0.996 229 V HN 0.441 nan 8.190 nan 0.000 0.425 230 V N 7.326 127.291 119.914 0.084 0.000 2.439 230 V HA 0.679 4.799 4.120 -0.000 0.000 0.282 230 V C 0.061 176.192 176.094 0.061 0.000 1.039 230 V CA 0.074 62.418 62.300 0.073 0.000 0.913 230 V CB 1.588 33.449 31.823 0.063 0.000 0.983 230 V HN 0.968 nan 8.190 nan 0.000 0.460 231 V N 1.166 121.115 119.914 0.058 0.000 3.141 231 V HA 0.589 4.709 4.120 -0.000 0.000 0.312 231 V C 0.675 176.793 176.094 0.040 0.000 1.157 231 V CA -0.570 61.759 62.300 0.048 0.000 1.041 231 V CB 1.921 33.776 31.823 0.054 0.000 1.071 231 V HN 0.626 nan 8.190 nan 0.000 0.441 232 D N 1.110 121.529 120.400 0.032 0.000 2.144 232 D HA 0.180 4.820 4.640 -0.000 0.000 0.199 232 D C 0.530 176.854 176.300 0.040 0.000 0.984 232 D CA 1.990 56.007 54.000 0.029 0.000 0.834 232 D CB 0.191 41.002 40.800 0.017 0.000 0.955 232 D HN 1.235 nan 8.370 nan 0.000 0.465 233 A N -0.724 122.135 122.820 0.065 0.000 2.513 233 A HA 0.431 4.751 4.320 -0.000 0.000 0.296 233 A C 0.345 178.012 177.584 0.138 0.000 1.052 233 A CA -0.605 51.487 52.037 0.091 0.000 0.714 233 A CB 0.464 19.567 19.000 0.172 0.000 1.279 233 A HN 0.203 nan 8.150 nan 0.000 0.397 234 I N -0.240 120.304 120.570 -0.044 0.000 3.645 234 I HA 0.541 4.711 4.170 -0.000 0.000 0.300 234 I C 0.697 176.510 176.117 -0.507 0.000 1.260 234 I CA 0.388 61.610 61.300 -0.130 0.000 1.365 234 I CB 0.539 38.438 38.000 -0.168 0.000 1.077 234 I HN 0.629 nan 8.210 nan 0.000 0.439 235 G N 0.669 108.987 108.800 -0.803 0.000 2.690 235 G HA2 0.201 4.161 3.960 -0.000 0.000 0.291 235 G HA3 0.201 4.161 3.960 -0.000 0.000 0.291 235 G C -1.913 172.314 174.900 -1.122 0.000 1.403 235 G CA -0.418 43.921 45.100 -1.268 0.000 0.864 235 G HN 0.025 nan 8.290 nan 0.000 0.480 236 D N 0.994 120.752 120.400 -1.070 0.000 2.417 236 D HA 0.152 4.792 4.640 -0.000 0.000 0.250 236 D C -1.061 175.107 176.300 -0.220 0.000 1.166 236 D CA -1.180 52.564 54.000 -0.427 0.000 0.881 236 D CB 1.970 42.651 40.800 -0.198 0.000 1.164 236 D HN -0.092 nan 8.370 nan 0.000 0.467 237 P HA -0.233 nan 4.420 nan 0.000 0.205 237 P C 0.637 177.892 177.300 -0.074 0.000 1.046 237 P CA 1.758 64.813 63.100 -0.076 0.000 0.968 237 P CB 0.115 31.795 31.700 -0.034 0.000 0.753 238 E N -0.711 119.458 120.200 -0.052 0.000 2.515 238 E HA 0.021 4.371 4.350 -0.000 0.000 0.201 238 E C 1.903 178.481 176.600 -0.038 0.000 1.071 238 E CA 1.039 57.410 56.400 -0.049 0.000 0.880 238 E CB -1.702 27.979 29.700 -0.031 0.000 0.828 238 E HN 0.281 nan 8.360 nan 0.000 0.540 239 G N 0.373 109.144 108.800 -0.047 0.000 2.653 239 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.212 239 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.212 239 G C 1.052 175.953 174.900 0.003 0.000 1.138 239 G CA 0.763 45.844 45.100 -0.032 0.000 0.782 239 G HN 0.358 nan 8.290 nan 0.000 0.535 240 I N -2.496 118.075 120.570 0.002 0.000 4.724 240 I HA 0.343 4.513 4.170 -0.000 0.000 0.398 240 I C 1.618 177.736 176.117 0.001 0.000 1.074 240 I CA 0.315 61.645 61.300 0.051 0.000 1.395 240 I CB -0.050 38.022 38.000 0.120 0.000 2.372 240 I HN -0.056 nan 8.210 nan 0.000 0.746 241 A N 0.260 123.019 122.820 -0.102 0.000 2.307 241 A HA 0.307 4.627 4.320 -0.000 0.000 0.218 241 A C 1.427 178.869 177.584 -0.238 0.000 1.228 241 A CA 0.176 52.034 52.037 -0.298 0.000 0.857 241 A CB -0.176 18.689 19.000 -0.225 0.000 0.897 241 A HN 0.195 nan 8.150 nan 0.000 0.495 242 K N 0.218 120.570 120.400 -0.080 0.000 3.065 242 K HA 0.441 4.761 4.320 -0.000 0.000 0.355 242 K C 1.010 177.627 176.600 0.028 0.000 1.026 242 K CA 1.020 57.294 56.287 -0.022 0.000 1.177 242 K CB -0.545 31.962 32.500 0.012 0.000 1.076 242 K HN 0.221 nan 8.250 nan 0.000 0.456 243 G N -1.677 107.156 108.800 0.055 0.000 3.209 243 G HA2 0.638 4.598 3.960 -0.000 0.000 0.236 243 G HA3 0.638 4.598 3.960 -0.000 0.000 0.236 243 G C -1.404 173.541 174.900 0.075 0.000 1.329 243 G CA -0.372 44.775 45.100 0.077 0.000 1.015 243 G HN 0.673 nan 8.290 nan 0.000 0.571 244 A N -0.932 121.917 122.820 0.049 0.000 2.286 244 A HA 0.676 4.996 4.320 -0.000 0.000 0.286 244 A C 0.100 177.688 177.584 0.008 0.000 1.097 244 A CA -0.180 51.873 52.037 0.028 0.000 0.821 244 A CB 0.506 19.505 19.000 -0.002 0.000 1.076 244 A HN 0.526 nan 8.150 nan 0.000 0.490 245 T N 2.052 116.606 114.554 -0.001 0.000 2.753 245 T HA 0.390 4.740 4.350 -0.000 0.000 0.297 245 T C 0.405 175.056 174.700 -0.082 0.000 0.981 245 T CA -0.269 61.825 62.100 -0.010 0.000 0.956 245 T CB 0.318 69.203 68.868 0.027 0.000 0.936 245 T HN 0.674 nan 8.240 nan 0.000 0.463 246 R N 2.180 122.631 120.500 -0.082 0.000 2.801 246 R HA 0.239 4.579 4.340 -0.000 0.000 0.273 246 R C -0.393 175.845 176.300 -0.103 0.000 1.080 246 R CA -0.143 55.865 56.100 -0.153 0.000 1.197 246 R CB -0.038 30.228 30.300 -0.056 0.000 1.109 246 R HN 0.503 nan 8.270 nan 0.000 0.535 247 Y N -0.569 119.749 120.300 0.030 0.000 2.321 247 Y HA 0.045 4.595 4.550 -0.000 0.000 0.353 247 Y C 1.421 177.344 175.900 0.039 0.000 1.276 247 Y CA 0.670 58.791 58.100 0.036 0.000 1.545 247 Y CB -0.106 38.370 38.460 0.028 0.000 1.377 247 Y HN 0.549 nan 8.280 nan 0.000 0.650 248 T N 0.184 114.889 114.554 0.251 0.000 2.816 248 T HA 0.196 4.546 4.350 -0.000 0.000 0.282 248 T C 0.701 175.473 174.700 0.120 0.000 0.993 248 T CA -0.536 61.652 62.100 0.147 0.000 0.994 248 T CB 0.408 69.349 68.868 0.121 0.000 1.025 248 T HN 0.568 nan 8.240 nan 0.000 0.529 249 K N 1.317 121.767 120.400 0.084 0.000 2.464 249 K HA 0.120 4.440 4.320 -0.000 0.000 0.206 249 K C 0.426 177.057 176.600 0.051 0.000 1.186 249 K CA -0.150 56.175 56.287 0.064 0.000 0.990 249 K CB -0.291 32.240 32.500 0.052 0.000 1.003 249 K HN 0.535 nan 8.250 nan 0.000 0.562 250 N N 4.760 123.490 118.700 0.050 0.000 2.417 250 N HA -0.030 4.710 4.740 -0.000 0.000 0.272 250 N C -1.371 174.157 175.510 0.029 0.000 1.304 250 N CA -0.882 52.190 53.050 0.037 0.000 0.906 250 N CB 0.894 39.404 38.487 0.038 0.000 1.135 250 N HN -0.086 nan 8.380 nan 0.000 0.483 251 P HA -0.277 nan 4.420 nan 0.000 0.216 251 P C 0.918 178.207 177.300 -0.018 0.000 1.153 251 P CA 1.478 64.579 63.100 0.003 0.000 0.858 251 P CB 0.235 31.934 31.700 -0.001 0.000 0.789 252 K N 0.448 120.842 120.400 -0.009 0.000 2.032 252 K HA -0.182 4.138 4.320 -0.000 0.000 0.209 252 K C 2.208 178.797 176.600 -0.019 0.000 1.048 252 K CA 1.642 57.921 56.287 -0.014 0.000 0.927 252 K CB -0.263 32.241 32.500 0.008 0.000 0.712 252 K HN 0.056 nan 8.250 nan 0.000 0.441 253 E N 0.614 120.816 120.200 0.003 0.000 2.051 253 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 253 E C 2.121 178.707 176.600 -0.022 0.000 0.991 253 E CA 1.241 57.646 56.400 0.009 0.000 0.799 253 E CB -0.078 29.645 29.700 0.039 0.000 0.748 253 E HN 0.296 nan 8.360 nan 0.000 0.449 254 L N 0.569 121.786 121.223 -0.009 0.000 2.127 254 L HA -0.214 4.126 4.340 -0.000 0.000 0.211 254 L C 2.516 179.245 176.870 -0.236 0.000 1.089 254 L CA 0.511 55.344 54.840 -0.013 0.000 0.757 254 L CB -0.249 41.866 42.059 0.093 0.000 0.899 254 L HN 0.207 nan 8.230 nan 0.000 0.434 255 L N -0.149 120.933 121.223 -0.235 0.000 2.056 255 L HA -0.175 4.165 4.340 -0.000 0.000 0.207 255 L C 2.300 178.903 176.870 -0.447 0.000 1.078 255 L CA 1.602 56.190 54.840 -0.421 0.000 0.749 255 L CB -0.196 41.663 42.059 -0.334 0.000 0.901 255 L HN 0.073 nan 8.230 nan 0.000 0.433 256 I N -0.507 119.943 120.570 -0.199 0.000 2.179 256 I HA -0.311 3.859 4.170 -0.000 0.000 0.242 256 I C 2.615 178.657 176.117 -0.124 0.000 1.088 256 I CA 1.159 62.421 61.300 -0.064 0.000 1.357 256 I CB -0.715 37.292 38.000 0.012 0.000 1.051 256 I HN 0.359 nan 8.210 nan 0.000 0.409 257 A N 0.569 123.274 122.820 -0.192 0.000 1.883 257 A HA -0.303 4.017 4.320 -0.000 0.000 0.217 257 A C 2.295 179.597 177.584 -0.470 0.000 1.186 257 A CA 2.217 54.123 52.037 -0.219 0.000 0.624 257 A CB -0.768 18.163 19.000 -0.115 0.000 0.822 257 A HN 0.512 nan 8.150 nan 0.000 0.444 258 E N -1.581 118.048 120.200 -0.951 0.000 2.085 258 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 258 E C 1.817 178.159 176.600 -0.429 0.000 0.994 258 E CA 1.555 57.285 56.400 -1.117 0.000 0.801 258 E CB -0.316 28.624 29.700 -1.267 0.000 0.743 258 E HN 0.649 nan 8.360 nan 0.000 0.453 259 Y N 0.260 120.357 120.300 -0.337 0.000 2.181 259 Y HA -0.123 4.427 4.550 -0.000 0.000 0.288 259 Y C 2.321 178.098 175.900 -0.206 0.000 1.146 259 Y CA 0.919 58.882 58.100 -0.228 0.000 1.164 259 Y CB -1.062 37.294 38.460 -0.175 0.000 0.982 259 Y HN 0.198 nan 8.280 nan 0.000 0.515 260 A N -0.035 122.772 122.820 -0.022 0.000 1.877 260 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 260 A C 2.532 180.072 177.584 -0.074 0.000 1.186 260 A CA 2.088 54.098 52.037 -0.045 0.000 0.620 260 A CB -1.237 17.748 19.000 -0.024 0.000 0.822 260 A HN 0.377 nan 8.150 nan 0.000 0.443 261 A N -0.367 122.393 122.820 -0.101 0.000 1.933 261 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 261 A C 2.093 179.599 177.584 -0.131 0.000 1.175 261 A CA 1.869 53.848 52.037 -0.097 0.000 0.628 261 A CB -0.421 18.550 19.000 -0.048 0.000 0.814 261 A HN 0.560 nan 8.150 nan 0.000 0.444 262 K N -0.496 119.835 120.400 -0.115 0.000 2.148 262 K HA -0.037 4.283 4.320 -0.000 0.000 0.204 262 K C 1.796 178.316 176.600 -0.134 0.000 1.050 262 K CA 1.236 57.457 56.287 -0.111 0.000 0.942 262 K CB -0.236 32.228 32.500 -0.059 0.000 0.724 262 K HN 0.331 nan 8.250 nan 0.000 0.446 263 V N 1.527 121.336 119.914 -0.174 0.000 2.358 263 V HA -0.233 3.886 4.120 -0.000 0.000 0.246 263 V C 2.106 178.174 176.094 -0.043 0.000 1.047 263 V CA 1.575 63.707 62.300 -0.279 0.000 1.035 263 V CB -0.356 31.274 31.823 -0.321 0.000 0.658 263 V HN 0.250 nan 8.190 nan 0.000 0.452 264 I N 1.089 121.628 120.570 -0.051 0.000 2.163 264 I HA -0.218 3.952 4.170 -0.000 0.000 0.240 264 I C 2.642 178.675 176.117 -0.141 0.000 1.081 264 I CA 2.055 63.338 61.300 -0.028 0.000 1.353 264 I CB -0.780 37.176 38.000 -0.073 0.000 1.054 264 I HN 0.471 nan 8.210 nan 0.000 0.407 265 T N -3.006 111.327 114.554 -0.368 0.000 3.098 265 T HA -0.006 4.344 4.350 -0.000 0.000 0.266 265 T C 1.426 175.920 174.700 -0.342 0.000 1.145 265 T CA 1.020 62.618 62.100 -0.836 0.000 1.092 265 T CB -0.161 68.194 68.868 -0.856 0.000 0.908 265 T HN 0.156 nan 8.240 nan 0.000 0.526 266 S N 0.990 116.694 115.700 0.007 0.000 2.559 266 S HA 0.285 4.755 4.470 -0.000 0.000 0.226 266 S C 0.884 175.767 174.600 0.472 0.000 1.000 266 S CA -0.324 58.017 58.200 0.234 0.000 0.948 266 S CB 0.317 63.684 63.200 0.278 0.000 0.870 266 S HN 0.792 nan 8.310 nan 0.000 0.497 267 S N 2.609 118.539 115.700 0.383 0.000 2.614 267 S HA 0.300 4.770 4.470 -0.000 0.000 0.265 267 S C -2.139 172.376 174.600 -0.142 0.000 1.303 267 S CA -1.008 57.315 58.200 0.205 0.000 1.000 267 S CB 0.554 63.980 63.200 0.376 0.000 0.935 267 S HN 0.066 nan 8.310 nan 0.000 0.551 268 P HA 0.094 nan 4.420 nan 0.000 0.256 268 P C -0.430 176.425 177.300 -0.741 0.000 1.335 268 P CA 0.435 62.936 63.100 -0.998 0.000 0.808 268 P CB -0.444 30.277 31.700 -1.630 0.000 1.305 269 Y N -2.640 117.583 120.300 -0.127 0.000 2.426 269 Y HA 0.195 4.745 4.550 -0.000 0.000 0.249 269 Y C 1.024 176.885 175.900 -0.066 0.000 1.103 269 Y CA -0.752 57.314 58.100 -0.056 0.000 1.256 269 Y CB -0.368 38.083 38.460 -0.014 0.000 1.208 269 Y HN -0.137 nan 8.280 nan 0.000 0.519 270 Y N 4.745 124.970 120.300 -0.126 0.000 2.624 270 Y HA 0.374 4.924 4.550 -0.000 0.000 0.354 270 Y C 0.068 175.861 175.900 -0.178 0.000 1.051 270 Y CA -0.571 57.315 58.100 -0.357 0.000 1.377 270 Y CB -0.519 37.753 38.460 -0.313 0.000 1.168 270 Y HN 0.130 nan 8.280 nan 0.000 0.525 271 K N 2.613 122.702 120.400 -0.519 0.000 2.672 271 K HA 0.301 4.620 4.320 -0.000 0.000 0.295 271 K C -1.295 175.248 176.600 -0.096 0.000 1.042 271 K CA -1.316 54.776 56.287 -0.325 0.000 0.869 271 K CB 0.695 33.125 32.500 -0.116 0.000 1.541 271 K HN 0.296 nan 8.250 nan 0.000 0.396 272 E N 0.450 120.616 120.200 -0.056 0.000 2.502 272 E HA 0.189 4.539 4.350 -0.000 0.000 0.261 272 E C 0.741 177.393 176.600 0.087 0.000 0.974 272 E CA 2.294 58.711 56.400 0.029 0.000 0.936 272 E CB -0.055 29.649 29.700 0.007 0.000 0.926 272 E HN 0.849 nan 8.360 nan 0.000 0.459 273 G N 4.006 112.859 108.800 0.089 0.000 2.198 273 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.257 273 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.257 273 G C -0.011 174.927 174.900 0.065 0.000 1.042 273 G CA 0.314 45.444 45.100 0.051 0.000 0.791 273 G HN 0.602 nan 8.290 nan 0.000 0.502 274 F N 0.987 120.938 119.950 0.002 0.000 2.377 274 F HA 0.832 5.359 4.527 -0.000 0.000 0.328 274 F C 0.450 176.238 175.800 -0.021 0.000 1.094 274 F CA -0.838 57.170 58.000 0.013 0.000 1.093 274 F CB 1.241 40.269 39.000 0.047 0.000 1.214 274 F HN 0.386 nan 8.300 nan 0.000 0.518 275 S N 2.911 118.471 115.700 -0.233 0.000 2.681 275 S HA 0.897 5.367 4.470 -0.000 0.000 0.299 275 S C -0.984 173.549 174.600 -0.111 0.000 1.113 275 S CA -0.563 57.256 58.200 -0.636 0.000 1.013 275 S CB 1.772 64.249 63.200 -1.206 0.000 1.076 275 S HN 1.160 nan 8.310 nan 0.000 0.534 276 F N -1.963 117.757 119.950 -0.384 0.000 2.770 276 F HA 0.675 5.202 4.527 -0.000 0.000 0.313 276 F C -1.413 174.352 175.800 -0.057 0.000 1.154 276 F CA -0.926 57.022 58.000 -0.088 0.000 0.923 276 F CB 1.420 40.484 39.000 0.106 0.000 1.301 276 F HN 0.765 nan 8.300 nan 0.000 0.449 277 Q N 1.923 121.767 119.800 0.074 0.000 2.271 277 Q HA 0.631 4.970 4.340 -0.000 0.000 0.268 277 Q C -1.536 174.576 176.000 0.187 0.000 1.021 277 Q CA -0.567 55.252 55.803 0.027 0.000 0.802 277 Q CB 2.647 31.417 28.738 0.053 0.000 1.282 277 Q HN 1.035 nan 8.270 nan 0.000 0.431 278 T N -0.018 114.649 114.554 0.188 0.000 2.927 278 T HA 0.781 5.130 4.350 -0.000 0.000 0.286 278 T C 0.625 175.374 174.700 0.082 0.000 1.040 278 T CA -0.334 61.873 62.100 0.180 0.000 1.010 278 T CB 1.367 70.382 68.868 0.246 0.000 1.177 278 T HN 0.606 nan 8.240 nan 0.000 0.546 279 G N -0.214 108.625 108.800 0.065 0.000 2.683 279 G HA2 0.402 4.362 3.960 -0.000 0.000 0.260 279 G HA3 0.402 4.362 3.960 -0.000 0.000 0.260 279 G C 0.781 175.640 174.900 -0.069 0.000 1.238 279 G CA 0.035 45.135 45.100 0.000 0.000 0.934 279 G HN 1.131 nan 8.290 nan 0.000 0.534 280 T N -3.444 111.008 114.554 -0.170 0.000 3.129 280 T HA 0.569 4.919 4.350 -0.000 0.000 0.267 280 T C 0.641 175.284 174.700 -0.096 0.000 1.018 280 T CA 0.489 62.419 62.100 -0.283 0.000 0.903 280 T CB 0.146 68.499 68.868 -0.859 0.000 1.067 280 T HN 1.630 nan 8.240 nan 0.000 0.549 281 G N -1.146 107.649 108.800 -0.008 0.000 2.328 281 G HA2 0.561 4.521 3.960 -0.000 0.000 0.295 281 G HA3 0.561 4.521 3.960 -0.000 0.000 0.295 281 G C 0.065 175.009 174.900 0.073 0.000 1.413 281 G CA -0.043 45.085 45.100 0.048 0.000 0.817 281 G HN 1.083 nan 8.290 nan 0.000 0.546 282 G N -0.516 108.336 108.800 0.087 0.000 2.575 282 G HA2 0.205 4.165 3.960 -0.000 0.000 0.267 282 G HA3 0.205 4.165 3.960 -0.000 0.000 0.267 282 G C 1.525 176.486 174.900 0.102 0.000 1.264 282 G CA 1.885 47.037 45.100 0.087 0.000 0.935 282 G HN 2.277 nan 8.290 nan 0.000 0.568 283 A N -0.782 122.086 122.820 0.081 0.000 1.930 283 A HA 0.164 4.484 4.320 -0.000 0.000 0.217 283 A C 2.863 180.495 177.584 0.079 0.000 1.175 283 A CA 3.250 55.330 52.037 0.071 0.000 0.627 283 A CB -0.981 18.046 19.000 0.045 0.000 0.815 283 A HN 2.298 nan 8.150 nan 0.000 0.443 284 S N -0.290 115.456 115.700 0.077 0.000 2.420 284 S HA -0.177 4.293 4.470 -0.000 0.000 0.237 284 S C 1.768 176.431 174.600 0.104 0.000 1.023 284 S CA 1.606 59.853 58.200 0.079 0.000 0.991 284 S CB -0.484 62.756 63.200 0.066 0.000 0.792 284 S HN 0.537 nan 8.310 nan 0.000 0.488 285 L N 1.821 123.120 121.223 0.126 0.000 2.145 285 L HA 0.471 4.811 4.340 -0.000 0.000 0.201 285 L C 2.618 179.651 176.870 0.271 0.000 1.075 285 L CA 1.495 56.446 54.840 0.186 0.000 0.773 285 L CB -1.397 40.767 42.059 0.175 0.000 0.936 285 L HN 0.258 nan 8.230 nan 0.000 0.451 286 A N -0.560 122.403 122.820 0.238 0.000 2.032 286 A HA -0.217 4.103 4.320 -0.000 0.000 0.221 286 A C 2.425 180.036 177.584 0.045 0.000 1.165 286 A CA 1.801 53.883 52.037 0.075 0.000 0.645 286 A CB -1.457 17.609 19.000 0.110 0.000 0.807 286 A HN 0.397 nan 8.150 nan 0.000 0.453 287 V N 0.957 120.942 119.914 0.117 0.000 2.439 287 V HA -0.286 3.834 4.120 -0.000 0.000 0.253 287 V C 2.800 178.962 176.094 0.114 0.000 1.074 287 V CA 3.185 65.556 62.300 0.119 0.000 1.076 287 V CB -1.006 30.857 31.823 0.067 0.000 0.664 287 V HN 0.887 nan 8.190 nan 0.000 0.461 288 T N -1.675 112.937 114.554 0.098 0.000 2.833 288 T HA -0.264 4.086 4.350 -0.000 0.000 0.269 288 T C 1.979 176.669 174.700 -0.016 0.000 1.054 288 T CA 1.593 63.744 62.100 0.085 0.000 1.135 288 T CB -0.576 68.430 68.868 0.229 0.000 0.869 288 T HN 0.637 nan 8.240 nan 0.000 0.466 289 R N 0.187 120.542 120.500 -0.241 0.000 2.070 289 R HA 0.003 4.343 4.340 -0.000 0.000 0.233 289 R C 0.457 176.545 176.300 -0.354 0.000 1.137 289 R CA 0.840 56.666 56.100 -0.457 0.000 0.945 289 R CB -0.536 29.173 30.300 -0.986 0.000 0.845 289 R HN 0.425 nan 8.270 nan 0.000 0.430 293 E N 1.048 121.233 120.200 -0.024 0.000 2.070 293 E HA -0.178 4.172 4.350 -0.000 0.000 0.197 293 E C 0.232 176.839 176.600 0.011 0.000 1.004 293 E CA 1.254 57.641 56.400 -0.022 0.000 0.805 293 E CB 0.129 29.793 29.700 -0.060 0.000 0.744 293 E HN 0.216 nan 8.360 nan 0.000 0.451 297 K N 1.626 122.059 120.400 0.055 0.000 2.034 297 K HA -0.127 4.193 4.320 -0.000 0.000 0.214 297 K C 0.220 176.856 176.600 0.061 0.000 1.051 297 K CA 1.625 57.941 56.287 0.048 0.000 0.931 297 K CB -0.239 32.288 32.500 0.044 0.000 0.715 297 K HN 0.359 nan 8.250 nan 0.000 0.446 298 D N 0.155 120.610 120.400 0.091 0.000 2.433 298 D HA 0.003 4.643 4.640 -0.000 0.000 0.255 298 D C -0.012 176.331 176.300 0.073 0.000 1.226 298 D CA 0.052 54.107 54.000 0.091 0.000 1.015 298 D CB 0.744 41.633 40.800 0.148 0.000 1.091 298 D HN -0.003 nan 8.370 nan 0.000 0.527 299 D N -0.572 119.858 120.400 0.050 0.000 2.501 299 D HA 0.124 4.764 4.640 -0.000 0.000 0.226 299 D C -0.124 176.199 176.300 0.037 0.000 1.198 299 D CA -0.392 53.633 54.000 0.042 0.000 0.830 299 D CB -0.254 40.564 40.800 0.030 0.000 1.014 299 D HN 0.308 nan 8.370 nan 0.000 0.496 300 I N -1.564 119.026 120.570 0.033 0.000 2.696 300 I HA 0.303 4.473 4.170 -0.000 0.000 0.284 300 I C -0.123 176.043 176.117 0.081 0.000 1.129 300 I CA -0.054 61.252 61.300 0.009 0.000 1.410 300 I CB 0.783 38.693 38.000 -0.150 0.000 1.399 300 I HN -0.253 nan 8.210 nan 0.000 0.579 301 K N 4.514 124.963 120.400 0.081 0.000 2.443 301 K HA 0.779 5.099 4.320 -0.000 0.000 0.252 301 K C -1.071 175.549 176.600 0.033 0.000 0.933 301 K CA -0.967 55.365 56.287 0.075 0.000 0.792 301 K CB 1.900 34.426 32.500 0.043 0.000 1.185 301 K HN 0.956 nan 8.250 nan 0.000 0.425 302 A N 2.448 125.222 122.820 -0.078 0.000 2.340 302 A HA 0.159 4.479 4.320 -0.000 0.000 0.268 302 A C 0.732 178.207 177.584 -0.183 0.000 1.100 302 A CA -0.294 51.509 52.037 -0.390 0.000 0.803 302 A CB 0.050 18.682 19.000 -0.612 0.000 1.043 302 A HN 1.054 nan 8.150 nan 0.000 0.488 303 N N 0.604 119.193 118.700 -0.186 0.000 2.171 303 N HA 0.146 4.886 4.740 -0.000 0.000 0.184 303 N C 0.077 175.641 175.510 0.091 0.000 1.021 303 N CA 1.181 54.230 53.050 -0.002 0.000 0.854 303 N CB -0.094 38.458 38.487 0.108 0.000 0.994 303 N HN 0.764 nan 8.380 nan 0.000 0.426 304 F N -2.020 117.830 119.950 -0.168 0.000 2.741 304 F HA 0.791 5.318 4.527 -0.000 0.000 0.311 304 F C -1.931 173.641 175.800 -0.381 0.000 1.149 304 F CA -1.522 56.358 58.000 -0.201 0.000 0.930 304 F CB 1.010 39.925 39.000 -0.141 0.000 1.312 304 F HN -0.006 nan 8.300 nan 0.000 0.450 305 A N 2.103 124.766 122.820 -0.263 0.000 2.380 305 A HA 0.896 5.216 4.320 -0.000 0.000 0.315 305 A C -1.911 175.600 177.584 -0.122 0.000 1.101 305 A CA -0.745 50.930 52.037 -0.603 0.000 0.771 305 A CB 1.712 20.340 19.000 -0.619 0.000 1.287 305 A HN 1.155 nan 8.150 nan 0.000 0.436 306 L N 0.786 121.929 121.223 -0.133 0.000 2.171 306 L HA 0.936 5.276 4.340 -0.000 0.000 0.253 306 L C 0.928 177.813 176.870 0.026 0.000 1.054 306 L CA 1.009 55.887 54.840 0.064 0.000 0.927 306 L CB 1.347 43.552 42.059 0.242 0.000 1.513 306 L HN 2.046 nan 8.230 nan 0.000 0.471 307 G N -0.091 108.739 108.800 0.050 0.000 2.498 307 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.245 307 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.245 307 G C 0.066 174.958 174.900 -0.013 0.000 1.204 307 G CA -0.220 44.881 45.100 0.001 0.000 0.933 307 G HN 1.446 nan 8.290 nan 0.000 0.574 308 G N 0.003 108.865 108.800 0.104 0.000 2.350 308 G HA2 0.591 4.550 3.960 -0.000 0.000 0.306 308 G HA3 0.591 4.550 3.960 -0.000 0.000 0.306 308 G C 0.184 175.181 174.900 0.162 0.000 1.094 308 G CA -0.323 44.974 45.100 0.328 0.000 0.953 308 G HN 0.657 nan 8.290 nan 0.000 0.420 309 I N 2.041 122.721 120.570 0.183 0.000 2.638 309 I HA 0.364 4.534 4.170 -0.000 0.000 0.286 309 I C 1.111 177.312 176.117 0.141 0.000 1.088 309 I CA -0.215 61.145 61.300 0.100 0.000 1.397 309 I CB 0.998 39.046 38.000 0.080 0.000 1.414 309 I HN 0.543 nan 8.210 nan 0.000 0.566 310 T N 0.897 115.493 114.554 0.070 0.000 2.887 310 T HA 0.250 4.600 4.350 -0.000 0.000 0.292 310 T C 0.840 175.558 174.700 0.029 0.000 1.087 310 T CA -0.771 61.369 62.100 0.067 0.000 1.009 310 T CB 1.711 70.595 68.868 0.026 0.000 1.203 310 T HN 0.617 nan 8.240 nan 0.000 0.518 311 N N 0.321 119.027 118.700 0.009 0.000 2.272 311 N HA -0.106 4.634 4.740 -0.000 0.000 0.185 311 N C 1.088 176.583 175.510 -0.024 0.000 1.014 311 N CA 0.895 53.938 53.050 -0.011 0.000 0.870 311 N CB -0.423 38.047 38.487 -0.028 0.000 0.975 311 N HN 0.846 nan 8.380 nan 0.000 0.433 315 E N 1.262 121.473 120.200 0.018 0.000 2.049 315 E HA -0.173 4.177 4.350 -0.000 0.000 0.198 315 E C 2.036 178.663 176.600 0.044 0.000 1.007 315 E CA 2.258 58.677 56.400 0.031 0.000 0.809 315 E CB -0.189 29.535 29.700 0.039 0.000 0.749 315 E HN 0.603 nan 8.360 nan 0.000 0.450 316 L N -0.075 121.187 121.223 0.064 0.000 2.083 316 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 316 L C 2.433 179.335 176.870 0.054 0.000 1.083 316 L CA 0.539 55.426 54.840 0.078 0.000 0.752 316 L CB -0.340 41.799 42.059 0.133 0.000 0.899 316 L HN 0.249 nan 8.230 nan 0.000 0.433 317 L N -0.358 120.881 121.223 0.026 0.000 2.141 317 L HA -0.175 4.164 4.340 -0.000 0.000 0.209 317 L C 2.459 179.341 176.870 0.020 0.000 1.094 317 L CA 1.676 56.522 54.840 0.010 0.000 0.763 317 L CB -0.337 41.705 42.059 -0.029 0.000 0.908 317 L HN 0.222 nan 8.230 nan 0.000 0.437 318 E N -0.502 119.712 120.200 0.022 0.000 2.122 318 E HA -0.156 4.194 4.350 -0.000 0.000 0.190 318 E C 1.696 178.312 176.600 0.027 0.000 0.977 318 E CA 0.984 57.398 56.400 0.024 0.000 0.820 318 E CB -0.102 29.611 29.700 0.022 0.000 0.770 318 E HN 0.649 nan 8.360 nan 0.000 0.462 319 E N 0.280 120.499 120.200 0.032 0.000 2.516 319 E HA -0.005 4.345 4.350 -0.000 0.000 0.199 319 E C 0.822 177.443 176.600 0.035 0.000 1.069 319 E CA 0.294 56.715 56.400 0.034 0.000 0.876 319 E CB -0.005 29.719 29.700 0.040 0.000 0.843 319 E HN 0.369 nan 8.360 nan 0.000 0.530 320 G N 1.069 109.889 108.800 0.034 0.000 2.160 320 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.251 320 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.251 320 G C 0.654 175.579 174.900 0.041 0.000 1.008 320 G CA 0.203 45.323 45.100 0.033 0.000 0.724 320 G HN 0.230 nan 8.290 nan 0.000 0.514 321 L N -0.764 120.490 121.223 0.052 0.000 2.375 321 L HA 0.485 4.825 4.340 -0.000 0.000 0.215 321 L C 1.334 178.244 176.870 0.066 0.000 1.108 321 L CA 1.176 56.056 54.840 0.066 0.000 0.830 321 L CB 0.799 42.908 42.059 0.083 0.000 0.959 321 L HN 0.354 nan 8.230 nan 0.000 0.457 322 V N -1.343 118.606 119.914 0.058 0.000 2.525 322 V HA 0.226 4.346 4.120 -0.000 0.000 0.299 322 V C 0.479 176.587 176.094 0.023 0.000 1.034 322 V CA -0.584 61.740 62.300 0.041 0.000 0.863 322 V CB 1.827 33.691 31.823 0.069 0.000 0.999 322 V HN 0.150 nan 8.190 nan 0.000 0.423 323 D N 5.079 125.491 120.400 0.020 0.000 2.084 323 D HA -0.025 4.615 4.640 -0.000 0.000 0.194 323 D C 0.734 177.052 176.300 0.030 0.000 0.990 323 D CA 1.732 55.748 54.000 0.027 0.000 0.826 323 D CB 0.353 41.172 40.800 0.031 0.000 0.971 323 D HN 0.521 nan 8.370 nan 0.000 0.453 324 K N -0.503 119.928 120.400 0.050 0.000 2.378 324 K HA 0.506 4.826 4.320 -0.000 0.000 0.244 324 K C -0.885 175.743 176.600 0.047 0.000 1.039 324 K CA -0.946 55.368 56.287 0.045 0.000 0.863 324 K CB 2.562 35.081 32.500 0.031 0.000 1.326 324 K HN 0.129 nan 8.250 nan 0.000 0.460 325 I N 1.116 121.697 120.570 0.018 0.000 2.586 325 I HA 0.288 4.458 4.170 -0.000 0.000 0.288 325 I C -1.678 174.460 176.117 0.035 0.000 1.147 325 I CA -0.762 60.519 61.300 -0.032 0.000 1.047 325 I CB 1.024 38.878 38.000 -0.244 0.000 1.244 325 I HN 0.410 nan 8.210 nan 0.000 0.429 326 L N 6.618 127.870 121.223 0.049 0.000 2.275 326 L HA 0.511 4.851 4.340 -0.000 0.000 0.288 326 L C -0.601 176.294 176.870 0.042 0.000 1.046 326 L CA -0.373 54.498 54.840 0.052 0.000 0.805 326 L CB 1.072 43.121 42.059 -0.017 0.000 1.193 326 L HN 0.541 nan 8.230 nan 0.000 0.426 327 D N 2.594 123.023 120.400 0.049 0.000 2.408 327 D HA 0.190 4.830 4.640 -0.000 0.000 0.243 327 D C -0.095 176.107 176.300 -0.163 0.000 1.075 327 D CA -0.228 53.767 54.000 -0.009 0.000 0.832 327 D CB 2.711 43.595 40.800 0.140 0.000 1.162 327 D HN 0.242 nan 8.370 nan 0.000 0.515 328 V N 3.641 123.382 119.914 -0.289 0.000 3.621 328 V HA 0.232 4.352 4.120 -0.000 0.000 0.263 328 V C -0.119 175.690 176.094 -0.475 0.000 1.272 328 V CA 0.765 62.781 62.300 -0.473 0.000 1.080 328 V CB 0.081 31.431 31.823 -0.787 0.000 0.816 328 V HN 0.720 nan 8.190 nan 0.000 0.451 329 Q N 0.144 119.793 119.800 -0.252 0.000 2.443 329 Q HA 0.253 4.593 4.340 -0.000 0.000 0.258 329 Q C -2.072 173.936 176.000 0.013 0.000 0.967 329 Q CA -0.644 55.087 55.803 -0.120 0.000 0.951 329 Q CB 1.809 30.505 28.738 -0.069 0.000 1.459 329 Q HN 0.287 nan 8.270 nan 0.000 0.415 330 D N 3.121 123.485 120.400 -0.061 0.000 2.193 330 D HA 0.280 4.920 4.640 -0.000 0.000 0.249 330 D C -0.250 176.029 176.300 -0.034 0.000 1.034 330 D CA -0.053 53.964 54.000 0.029 0.000 0.902 330 D CB 0.851 41.626 40.800 -0.041 0.000 1.182 330 D HN 0.548 nan 8.370 nan 0.000 0.436 331 F N 0.577 120.548 119.950 0.036 0.000 2.654 331 F HA 0.082 4.609 4.527 -0.000 0.000 0.303 331 F C -0.068 175.764 175.800 0.052 0.000 1.099 331 F CA -0.421 57.612 58.000 0.055 0.000 1.270 331 F CB 0.626 39.664 39.000 0.064 0.000 1.024 331 F HN 0.189 nan 8.300 nan 0.000 0.548 332 D N -3.883 116.609 120.400 0.154 0.000 2.720 332 D HA 0.038 4.678 4.640 -0.000 0.000 0.239 332 D C 0.353 176.715 176.300 0.103 0.000 1.218 332 D CA -0.670 53.406 54.000 0.126 0.000 0.748 332 D CB 0.220 41.092 40.800 0.119 0.000 1.387 332 D HN -0.115 nan 8.370 nan 0.000 0.438 333 H N 0.845 119.933 119.070 0.030 0.000 2.289 333 H HA -0.048 4.508 4.556 -0.000 0.000 0.294 333 H C -0.983 174.354 175.328 0.014 0.000 1.095 333 H CA 3.362 59.419 56.048 0.015 0.000 1.256 333 H CB -0.786 28.984 29.762 0.014 0.000 1.359 333 H HN 0.343 nan 8.280 nan 0.000 0.487 334 P HA -0.129 nan 4.420 nan 0.000 0.216 334 P C 1.615 178.853 177.300 -0.103 0.000 1.150 334 P CA 1.950 64.964 63.100 -0.144 0.000 0.837 334 P CB 0.035 31.722 31.700 -0.021 0.000 0.786 335 S N 0.059 115.744 115.700 -0.026 0.000 2.383 335 S HA -0.037 4.433 4.470 -0.000 0.000 0.227 335 S C 2.243 176.839 174.600 -0.006 0.000 1.026 335 S CA 1.246 59.478 58.200 0.053 0.000 0.981 335 S CB -0.891 62.369 63.200 0.101 0.000 0.818 335 S HN 0.208 nan 8.310 nan 0.000 0.472 336 A N 0.999 123.757 122.820 -0.104 0.000 1.930 336 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 336 A C 2.287 179.735 177.584 -0.228 0.000 1.175 336 A CA 1.309 53.243 52.037 -0.172 0.000 0.627 336 A CB -0.779 18.139 19.000 -0.137 0.000 0.815 336 A HN 0.345 nan 8.150 nan 0.000 0.443 337 V N -0.520 119.219 119.914 -0.291 0.000 2.343 337 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 337 V C 2.775 178.776 176.094 -0.156 0.000 1.051 337 V CA 2.253 64.398 62.300 -0.258 0.000 1.036 337 V CB -0.778 30.847 31.823 -0.330 0.000 0.654 337 V HN 0.645 nan 8.190 nan 0.000 0.451 338 S N -0.093 115.553 115.700 -0.091 0.000 2.400 338 S HA -0.200 4.270 4.470 -0.000 0.000 0.232 338 S C 1.932 176.482 174.600 -0.082 0.000 1.025 338 S CA 1.721 59.936 58.200 0.024 0.000 0.993 338 S CB -0.435 62.888 63.200 0.206 0.000 0.808 338 S HN 0.447 nan 8.310 nan 0.000 0.478 339 L N 1.523 122.484 121.223 -0.438 0.000 2.261 339 L HA -0.072 4.267 4.340 -0.000 0.000 0.216 339 L C 1.656 178.302 176.870 -0.372 0.000 1.114 339 L CA 2.436 56.797 54.840 -0.799 0.000 0.777 339 L CB -0.636 40.992 42.059 -0.719 0.000 0.910 339 L HN 0.395 nan 8.230 nan 0.000 0.440 340 D N -1.598 118.662 120.400 -0.234 0.000 2.369 340 D HA -0.093 4.547 4.640 -0.000 0.000 0.231 340 D C 2.309 178.554 176.300 -0.092 0.000 0.967 340 D CA 0.540 54.447 54.000 -0.156 0.000 0.905 340 D CB -0.046 40.674 40.800 -0.133 0.000 1.044 340 D HN 0.184 nan 8.370 nan 0.000 0.487 341 R N 0.093 120.552 120.500 -0.069 0.000 2.070 341 R HA -0.030 4.309 4.340 -0.000 0.000 0.233 341 R C 0.171 176.468 176.300 -0.006 0.000 1.137 341 R CA 1.474 57.555 56.100 -0.030 0.000 0.945 341 R CB -0.299 29.989 30.300 -0.020 0.000 0.845 341 R HN 0.157 nan 8.270 nan 0.000 0.430 342 N N 0.766 119.478 118.700 0.021 0.000 2.994 342 N HA 0.199 4.939 4.740 -0.000 0.000 0.306 342 N C -0.751 174.796 175.510 0.061 0.000 1.348 342 N CA -0.223 52.858 53.050 0.051 0.000 1.109 342 N CB 1.231 39.769 38.487 0.086 0.000 1.415 342 N HN 0.294 nan 8.380 nan 0.000 0.529 343 A N 1.520 124.353 122.820 0.022 0.000 2.614 343 A HA -0.053 4.267 4.320 -0.000 0.000 0.231 343 A C 1.456 179.095 177.584 0.093 0.000 1.076 343 A CA 0.880 52.934 52.037 0.028 0.000 0.767 343 A CB 0.047 19.047 19.000 0.001 0.000 1.012 343 A HN 0.811 nan 8.150 nan 0.000 0.512 344 E N -0.587 119.722 120.200 0.182 0.000 5.003 344 E HA -0.369 3.981 4.350 -0.000 0.000 0.166 344 E C 0.879 177.582 176.600 0.171 0.000 1.244 344 E CA 1.887 58.423 56.400 0.227 0.000 2.281 344 E CB -1.550 28.209 29.700 0.098 0.000 1.825 344 E HN 0.670 nan 8.360 nan 0.000 0.420 345 K N 0.881 121.355 120.400 0.124 0.000 2.288 345 K HA 0.009 4.329 4.320 -0.000 0.000 0.201 345 K C 0.856 177.546 176.600 0.150 0.000 1.048 345 K CA 1.361 57.706 56.287 0.096 0.000 0.956 345 K CB -0.184 32.356 32.500 0.068 0.000 0.746 345 K HN 0.567 nan 8.250 nan 0.000 0.461 346 H N -0.490 118.619 119.070 0.066 0.000 2.786 346 H HA 0.174 4.730 4.556 -0.000 0.000 0.284 346 H C -1.549 173.821 175.328 0.070 0.000 1.104 346 H CA -0.649 55.424 56.048 0.042 0.000 1.339 346 H CB 0.395 30.153 29.762 -0.006 0.000 1.427 346 H HN -0.135 nan 8.280 nan 0.000 0.497 347 Y N 2.888 123.263 120.300 0.125 0.000 2.387 347 Y HA 0.134 4.684 4.550 -0.000 0.000 0.336 347 Y C 0.037 175.915 175.900 -0.037 0.000 1.067 347 Y CA -0.683 57.415 58.100 -0.003 0.000 1.114 347 Y CB 1.334 39.773 38.460 -0.035 0.000 1.208 347 Y HN 0.639 nan 8.280 nan 0.000 0.458 348 E N 5.783 125.785 120.200 -0.330 0.000 2.283 348 E HA 0.463 4.813 4.350 -0.000 0.000 0.278 348 E C -1.224 175.293 176.600 -0.138 0.000 1.027 348 E CA -0.454 55.788 56.400 -0.265 0.000 0.843 348 E CB 0.596 30.068 29.700 -0.380 0.000 1.062 348 E HN 0.639 nan 8.360 nan 0.000 0.401 349 I N 0.671 121.175 120.570 -0.109 0.000 2.686 349 I HA 0.438 4.608 4.170 -0.000 0.000 0.295 349 I C -0.886 175.175 176.117 -0.093 0.000 1.114 349 I CA -1.327 59.945 61.300 -0.046 0.000 1.038 349 I CB 1.947 39.959 38.000 0.019 0.000 1.238 349 I HN 0.415 nan 8.210 nan 0.000 0.420 350 D N 4.347 124.724 120.400 -0.038 0.000 2.339 350 D HA 0.387 5.027 4.640 -0.000 0.000 0.245 350 D C 1.235 177.564 176.300 0.048 0.000 1.115 350 D CA -0.197 53.789 54.000 -0.024 0.000 0.917 350 D CB 1.724 42.537 40.800 0.022 0.000 1.192 350 D HN 0.746 nan 8.370 nan 0.000 0.428 351 A N 1.966 124.828 122.820 0.070 0.000 2.032 351 A HA -0.233 4.087 4.320 -0.000 0.000 0.221 351 A C 1.308 179.053 177.584 0.268 0.000 1.165 351 A CA 1.416 53.596 52.037 0.239 0.000 0.645 351 A CB -1.106 18.113 19.000 0.365 0.000 0.807 351 A HN 0.750 nan 8.150 nan 0.000 0.453 355 A N 0.797 123.472 122.820 -0.242 0.000 2.585 355 A HA 0.559 4.879 4.320 -0.000 0.000 0.281 355 A C -0.226 177.289 177.584 -0.115 0.000 0.945 355 A CA 0.474 52.306 52.037 -0.342 0.000 1.031 355 A CB -0.375 18.251 19.000 -0.623 0.000 1.221 355 A HN 0.276 nan 8.150 nan 0.000 0.496 356 S N 1.801 117.483 115.700 -0.030 0.000 2.499 356 S HA 0.367 4.837 4.470 -0.000 0.000 0.275 356 S C -0.856 173.728 174.600 -0.025 0.000 1.257 356 S CA -1.015 57.175 58.200 -0.016 0.000 1.050 356 S CB 0.819 64.035 63.200 0.026 0.000 0.937 356 S HN 0.360 nan 8.310 nan 0.000 0.490 357 P HA 0.039 nan 4.420 nan 0.000 0.229 357 P C 0.151 177.448 177.300 -0.006 0.000 1.160 357 P CA 0.681 63.743 63.100 -0.064 0.000 0.777 357 P CB 0.135 31.741 31.700 -0.156 0.000 0.814 358 L N 0.568 121.795 121.223 0.007 0.000 2.709 358 L HA 0.252 4.592 4.340 -0.000 0.000 0.236 358 L C 0.543 177.527 176.870 0.190 0.000 1.266 358 L CA -0.292 54.601 54.840 0.089 0.000 0.987 358 L CB 0.424 42.470 42.059 -0.022 0.000 1.306 358 L HN 0.047 nan 8.230 nan 0.000 0.467 359 S N -1.378 114.410 115.700 0.147 0.000 2.851 359 S HA 0.455 4.925 4.470 -0.000 0.000 0.313 359 S C 0.403 175.065 174.600 0.103 0.000 1.163 359 S CA -0.909 57.378 58.200 0.144 0.000 0.850 359 S CB 1.822 65.084 63.200 0.103 0.000 1.245 359 S HN 0.225 nan 8.310 nan 0.000 0.558 360 K N 0.243 120.688 120.400 0.075 0.000 2.444 360 K HA 0.380 4.700 4.320 -0.000 0.000 0.193 360 K C 0.401 177.027 176.600 0.044 0.000 1.024 360 K CA 0.456 56.772 56.287 0.048 0.000 1.077 360 K CB 0.168 32.686 32.500 0.031 0.000 0.833 360 K HN 0.914 nan 8.250 nan 0.000 0.517 361 G N 1.304 110.135 108.800 0.051 0.000 2.350 361 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.274 361 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.274 361 G C -0.870 174.052 174.900 0.037 0.000 1.621 361 G CA -0.838 44.286 45.100 0.041 0.000 0.935 361 G HN 0.059 nan 8.290 nan 0.000 0.694 362 S N 0.388 116.109 115.700 0.035 0.000 2.621 362 S HA 0.745 5.215 4.470 -0.000 0.000 0.302 362 S C 1.655 176.269 174.600 0.023 0.000 1.093 362 S CA 0.052 58.268 58.200 0.026 0.000 1.017 362 S CB 1.823 65.024 63.200 0.001 0.000 1.077 362 S HN 2.008 nan 8.310 nan 0.000 0.517 363 V N 0.795 120.728 119.914 0.032 0.000 2.343 363 V HA -0.141 3.979 4.120 -0.000 0.000 0.247 363 V C 2.183 178.336 176.094 0.098 0.000 1.051 363 V CA 1.692 64.011 62.300 0.031 0.000 1.036 363 V CB -1.590 30.252 31.823 0.032 0.000 0.654 363 V HN 0.950 nan 8.190 nan 0.000 0.451 364 I N -0.433 120.171 120.570 0.056 0.000 2.800 364 I HA -0.196 3.974 4.170 -0.000 0.000 0.266 364 I C 2.125 178.277 176.117 0.058 0.000 1.249 364 I CA 2.321 63.650 61.300 0.049 0.000 1.458 364 I CB -1.204 36.742 38.000 -0.089 0.000 1.093 364 I HN 0.390 nan 8.210 nan 0.000 0.466 365 N N 0.361 119.095 118.700 0.057 0.000 2.494 365 N HA -0.069 4.671 4.740 -0.000 0.000 0.182 365 N C 1.170 176.723 175.510 0.071 0.000 1.076 365 N CA 0.260 53.344 53.050 0.057 0.000 0.908 365 N CB 0.222 38.742 38.487 0.056 0.000 0.967 365 N HN 0.422 nan 8.380 nan 0.000 0.449 366 Q N 0.241 120.117 119.800 0.126 0.000 2.179 366 Q HA 0.135 4.475 4.340 -0.000 0.000 0.213 366 Q C -0.769 175.374 176.000 0.239 0.000 0.833 366 Q CA -0.214 55.702 55.803 0.188 0.000 0.990 366 Q CB 0.516 29.391 28.738 0.228 0.000 1.132 366 Q HN 0.234 nan 8.270 nan 0.000 0.493 367 L N 2.003 123.317 121.223 0.152 0.000 2.290 367 L HA 0.165 4.505 4.340 -0.000 0.000 0.284 367 L C 0.705 177.562 176.870 -0.023 0.000 1.078 367 L CA 0.461 55.339 54.840 0.063 0.000 0.815 367 L CB 0.805 42.906 42.059 0.070 0.000 1.162 367 L HN -0.091 nan 8.230 nan 0.000 0.435 368 D N 4.317 124.695 120.400 -0.035 0.000 2.183 368 D HA 0.100 4.740 4.640 -0.000 0.000 0.205 368 D C 0.291 176.487 176.300 -0.173 0.000 0.962 368 D CA 1.059 54.997 54.000 -0.103 0.000 0.849 368 D CB 0.689 41.532 40.800 0.071 0.000 0.978 368 D HN 0.285 nan 8.370 nan 0.000 0.488 369 I N 0.642 121.215 120.570 0.005 0.000 2.841 369 I HA 0.222 4.392 4.170 -0.000 0.000 0.298 369 I C -1.627 174.547 176.117 0.095 0.000 1.304 369 I CA -0.722 60.592 61.300 0.024 0.000 1.019 369 I CB 2.117 40.171 38.000 0.090 0.000 1.282 369 I HN 0.086 nan 8.210 nan 0.000 0.432 370 C N 5.570 124.905 119.300 0.059 0.000 2.712 370 C HA 0.859 5.319 4.460 -0.000 0.000 0.308 370 C C -0.818 174.208 174.990 0.060 0.000 1.201 370 C CA -0.619 58.442 59.018 0.072 0.000 1.554 370 C CB 0.816 28.575 27.740 0.032 0.000 2.117 370 C HN 0.432 nan 8.230 nan 0.000 0.480 371 V N 3.876 123.835 119.914 0.075 0.000 2.334 371 V HA 0.524 4.644 4.120 -0.000 0.000 0.281 371 V C -0.035 176.078 176.094 0.031 0.000 1.016 371 V CA -0.063 62.273 62.300 0.061 0.000 0.832 371 V CB 0.838 32.715 31.823 0.089 0.000 0.999 371 V HN 0.861 nan 8.190 nan 0.000 0.439 372 L N 3.683 124.908 121.223 0.002 0.000 2.303 372 L HA 0.792 5.132 4.340 -0.000 0.000 0.266 372 L C 0.488 177.402 176.870 0.073 0.000 1.011 372 L CA -0.399 54.426 54.840 -0.026 0.000 0.818 372 L CB 2.405 44.302 42.059 -0.269 0.000 1.326 372 L HN 0.726 nan 8.230 nan 0.000 0.435 373 S N 0.029 115.811 115.700 0.137 0.000 2.786 373 S HA 0.978 5.448 4.470 -0.000 0.000 0.307 373 S C -0.626 174.085 174.600 0.186 0.000 1.121 373 S CA -0.514 57.767 58.200 0.135 0.000 0.975 373 S CB 2.214 65.471 63.200 0.096 0.000 1.220 373 S HN 0.887 nan 8.310 nan 0.000 0.550 374 A N -0.608 122.255 122.820 0.071 0.000 2.605 374 A HA 0.653 4.973 4.320 -0.000 0.000 0.294 374 A C -0.067 177.477 177.584 -0.066 0.000 1.062 374 A CA -0.816 51.218 52.037 -0.005 0.000 0.682 374 A CB 0.164 19.146 19.000 -0.031 0.000 1.278 374 A HN 0.733 nan 8.150 nan 0.000 0.410 375 L N -0.157 121.011 121.223 -0.092 0.000 2.200 375 L HA 0.267 4.607 4.340 -0.000 0.000 0.200 375 L C 0.811 177.599 176.870 -0.137 0.000 1.072 375 L CA 0.969 55.755 54.840 -0.089 0.000 0.787 375 L CB 0.044 42.061 42.059 -0.069 0.000 0.957 375 L HN 0.799 nan 8.230 nan 0.000 0.459 376 E N -1.211 118.892 120.200 -0.162 0.000 2.433 376 E HA 0.563 4.913 4.350 -0.000 0.000 0.273 376 E C -1.545 174.912 176.600 -0.238 0.000 0.950 376 E CA -0.554 55.723 56.400 -0.206 0.000 0.796 376 E CB 3.477 33.101 29.700 -0.127 0.000 1.330 376 E HN -0.225 nan 8.360 nan 0.000 0.455 377 V N 2.084 121.831 119.914 -0.278 0.000 2.781 377 V HA 0.159 4.279 4.120 -0.000 0.000 0.289 377 V C -1.817 174.192 176.094 -0.141 0.000 1.275 377 V CA -0.595 61.578 62.300 -0.212 0.000 0.936 377 V CB 1.428 33.083 31.823 -0.280 0.000 1.074 377 V HN 0.824 nan 8.190 nan 0.000 0.444 378 D N 3.607 123.958 120.400 -0.082 0.000 2.447 378 D HA 0.287 4.927 4.640 -0.000 0.000 0.265 378 D C 1.310 177.552 176.300 -0.095 0.000 1.250 378 D CA 0.445 54.413 54.000 -0.054 0.000 1.046 378 D CB 0.729 41.508 40.800 -0.034 0.000 1.095 378 D HN 0.691 nan 8.370 nan 0.000 0.555 379 T N -3.504 111.008 114.554 -0.070 0.000 3.163 379 T HA 0.002 4.352 4.350 -0.000 0.000 0.260 379 T C 0.497 175.164 174.700 -0.055 0.000 1.156 379 T CA 0.239 62.277 62.100 -0.103 0.000 1.072 379 T CB -0.619 68.224 68.868 -0.041 0.000 0.937 379 T HN 0.268 nan 8.240 nan 0.000 0.528 380 N N -0.114 118.584 118.700 -0.005 0.000 2.187 380 N HA 0.380 5.119 4.740 -0.000 0.000 0.212 380 N C -0.332 175.344 175.510 0.277 0.000 1.152 380 N CA -0.550 52.581 53.050 0.135 0.000 0.872 380 N CB -0.156 38.383 38.487 0.087 0.000 1.025 380 N HN 0.328 nan 8.380 nan 0.000 0.514 381 F N -1.165 118.822 119.950 0.062 0.000 2.840 381 F HA -0.284 4.243 4.527 -0.000 0.000 0.310 381 F C -0.038 175.798 175.800 0.059 0.000 0.688 381 F CA 0.111 58.155 58.000 0.074 0.000 1.286 381 F CB -1.703 37.342 39.000 0.074 0.000 1.612 381 F HN 0.062 nan 8.300 nan 0.000 0.335 382 N N 0.987 119.763 118.700 0.127 0.000 2.518 382 N HA 0.461 5.201 4.740 -0.000 0.000 0.266 382 N C -0.085 175.447 175.510 0.037 0.000 1.196 382 N CA 0.060 53.157 53.050 0.079 0.000 0.947 382 N CB 1.430 39.934 38.487 0.030 0.000 1.098 382 N HN -0.029 nan 8.380 nan 0.000 0.450 383 V N 1.918 121.852 119.914 0.035 0.000 2.513 383 V HA 0.333 4.452 4.120 -0.000 0.000 0.299 383 V C 0.054 176.083 176.094 -0.108 0.000 1.035 383 V CA -0.939 61.346 62.300 -0.026 0.000 0.889 383 V CB 1.686 33.537 31.823 0.046 0.000 0.988 383 V HN 0.637 nan 8.190 nan 0.000 0.440 384 N N 3.355 121.973 118.700 -0.136 0.000 2.407 384 N HA 0.695 5.435 4.740 -0.000 0.000 0.277 384 N C -0.805 174.605 175.510 -0.167 0.000 0.995 384 N CA -0.415 52.552 53.050 -0.138 0.000 0.903 384 N CB 1.869 40.299 38.487 -0.095 0.000 1.218 384 N HN 0.620 nan 8.380 nan 0.000 0.487 388 G N 0.396 109.195 108.800 -0.002 0.000 2.531 388 G HA2 0.534 4.494 3.960 -0.000 0.000 0.281 388 G HA3 0.534 4.494 3.960 -0.000 0.000 0.281 388 G C 1.254 176.158 174.900 0.007 0.000 1.382 388 G CA -0.064 45.033 45.100 -0.005 0.000 1.045 388 G HN 1.442 nan 8.290 nan 0.000 0.533 389 S N 0.237 115.938 115.700 0.002 0.000 2.365 389 S HA -0.217 4.253 4.470 -0.000 0.000 0.225 389 S C 1.620 176.227 174.600 0.012 0.000 1.039 389 S CA 2.019 60.226 58.200 0.011 0.000 1.033 389 S CB -0.480 62.723 63.200 0.004 0.000 0.887 389 S HN 0.684 nan 8.310 nan 0.000 0.447 390 D N 1.216 121.609 120.400 -0.012 0.000 2.378 390 D HA 0.172 4.812 4.640 -0.000 0.000 0.227 390 D C 1.447 177.697 176.300 -0.083 0.000 1.012 390 D CA 0.716 54.689 54.000 -0.045 0.000 0.905 390 D CB -1.117 39.653 40.800 -0.051 0.000 0.895 390 D HN 0.682 nan 8.370 nan 0.000 0.532 391 G N -0.571 108.221 108.800 -0.014 0.000 2.189 391 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.267 391 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.267 391 G C 0.266 175.153 174.900 -0.022 0.000 0.975 391 G CA 0.387 45.503 45.100 0.026 0.000 0.644 391 G HN 0.434 nan 8.290 nan 0.000 0.537 392 V N 2.235 122.120 119.914 -0.048 0.000 2.488 392 V HA 0.343 4.463 4.120 -0.000 0.000 0.277 392 V C 1.467 177.551 176.094 -0.016 0.000 1.046 392 V CA -0.535 61.740 62.300 -0.042 0.000 0.986 392 V CB 1.289 33.084 31.823 -0.046 0.000 0.989 392 V HN 0.331 nan 8.190 nan 0.000 0.475 393 I N 6.453 127.016 120.570 -0.012 0.000 2.775 393 I HA 0.110 4.280 4.170 -0.000 0.000 0.290 393 I C 1.283 177.391 176.117 -0.015 0.000 1.203 393 I CA 0.699 61.991 61.300 -0.013 0.000 1.433 393 I CB 0.230 38.221 38.000 -0.016 0.000 1.354 393 I HN 0.860 nan 8.210 nan 0.000 0.579 394 R N 3.393 123.884 120.500 -0.015 0.000 2.361 394 R HA 0.189 4.529 4.340 -0.000 0.000 0.233 394 R C 0.166 176.461 176.300 -0.009 0.000 0.668 394 R CA -0.013 56.081 56.100 -0.010 0.000 0.890 394 R CB -0.650 29.645 30.300 -0.007 0.000 1.565 394 R HN 0.639 nan 8.270 nan 0.000 0.480 395 G N 1.223 110.012 108.800 -0.019 0.000 2.849 395 G HA2 0.777 4.737 3.960 -0.000 0.000 0.174 395 G HA3 0.777 4.737 3.960 -0.000 0.000 0.174 395 G C -0.878 174.005 174.900 -0.029 0.000 1.370 395 G CA -0.201 44.887 45.100 -0.021 0.000 1.040 395 G HN 0.400 nan 8.290 nan 0.000 0.582 396 A N -1.942 120.854 122.820 -0.041 0.000 2.583 396 A HA 0.585 4.905 4.320 -0.000 0.000 0.298 396 A C 0.455 177.990 177.584 -0.081 0.000 1.055 396 A CA 0.603 52.603 52.037 -0.062 0.000 0.714 396 A CB 0.965 19.940 19.000 -0.042 0.000 1.277 396 A HN 1.092 nan 8.150 nan 0.000 0.406 397 S N 1.306 116.933 115.700 -0.121 0.000 2.387 397 S HA 0.303 4.773 4.470 -0.000 0.000 0.226 397 S C 1.587 176.100 174.600 -0.146 0.000 1.026 397 S CA 2.407 60.530 58.200 -0.128 0.000 0.972 397 S CB -0.834 62.280 63.200 -0.143 0.000 0.814 397 S HN 2.754 nan 8.310 nan 0.000 0.477 398 G N 0.334 108.945 108.800 -0.315 0.000 2.627 398 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.312 398 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.312 398 G C 0.677 175.340 174.900 -0.395 0.000 1.299 398 G CA 0.194 44.985 45.100 -0.515 0.000 0.989 398 G HN 1.167 nan 8.290 nan 0.000 0.547 399 G N -1.550 107.286 108.800 0.062 0.000 3.393 399 G HA2 0.332 4.292 3.960 -0.000 0.000 0.255 399 G HA3 0.332 4.292 3.960 -0.000 0.000 0.255 399 G C 1.056 176.037 174.900 0.135 0.000 1.097 399 G CA 1.237 46.450 45.100 0.188 0.000 0.780 399 G HN 0.816 nan 8.290 nan 0.000 0.540 400 H N 1.302 120.396 119.070 0.040 0.000 2.296 400 H HA -0.249 4.307 4.556 -0.000 0.000 0.291 400 H C 2.746 178.101 175.328 0.045 0.000 1.074 400 H CA 2.380 58.456 56.048 0.047 0.000 1.176 400 H CB -0.662 29.116 29.762 0.027 0.000 1.357 400 H HN 0.431 nan 8.280 nan 0.000 0.520 401 C N 0.784 120.232 119.300 0.247 0.000 2.422 401 C HA -0.039 4.421 4.460 -0.000 0.000 0.286 401 C C 2.229 177.255 174.990 0.060 0.000 1.412 401 C CA 0.584 59.709 59.018 0.179 0.000 1.786 401 C CB -0.568 27.244 27.740 0.121 0.000 1.835 401 C HN 0.439 nan 8.230 nan 0.000 0.533 402 D N 1.778 122.178 120.400 -0.001 0.000 2.075 402 D HA -0.103 4.537 4.640 -0.000 0.000 0.196 402 D C 2.621 178.937 176.300 0.026 0.000 0.985 402 D CA 2.928 56.902 54.000 -0.044 0.000 0.834 402 D CB -0.690 40.060 40.800 -0.083 0.000 0.987 402 D HN 0.744 nan 8.370 nan 0.000 0.452 403 T N -0.556 114.004 114.554 0.011 0.000 2.857 403 T HA 0.041 4.391 4.350 -0.000 0.000 0.266 403 T C 2.120 176.844 174.700 0.039 0.000 1.048 403 T CA 1.510 63.620 62.100 0.017 0.000 1.139 403 T CB -0.320 68.563 68.868 0.025 0.000 0.874 403 T HN 0.076 nan 8.240 nan 0.000 0.455 404 A N 0.796 123.640 122.820 0.040 0.000 1.958 404 A HA -0.000 4.320 4.320 -0.000 0.000 0.221 404 A C 2.038 179.688 177.584 0.110 0.000 1.178 404 A CA 1.783 53.852 52.037 0.053 0.000 0.642 404 A CB -1.103 17.952 19.000 0.090 0.000 0.816 404 A HN 0.646 nan 8.150 nan 0.000 0.453 405 F N 0.166 120.125 119.950 0.015 0.000 2.179 405 F HA 0.229 4.756 4.527 -0.000 0.000 0.292 405 F C 2.465 178.265 175.800 -0.001 0.000 1.089 405 F CA 0.988 59.004 58.000 0.027 0.000 1.295 405 F CB -0.397 38.635 39.000 0.054 0.000 1.041 405 F HN 0.221 nan 8.300 nan 0.000 0.487 406 A N 1.381 124.274 122.820 0.122 0.000 1.877 406 A HA 0.154 4.474 4.320 -0.000 0.000 0.216 406 A C 1.661 179.176 177.584 -0.114 0.000 1.186 406 A CA 0.766 52.801 52.037 -0.002 0.000 0.620 406 A CB -1.653 17.394 19.000 0.078 0.000 0.822 406 A HN 0.471 nan 8.150 nan 0.000 0.443 407 A N 0.622 123.394 122.820 -0.080 0.000 2.587 407 A HA 0.314 4.634 4.320 -0.000 0.000 0.233 407 A C 0.603 178.069 177.584 -0.196 0.000 1.049 407 A CA -0.029 51.942 52.037 -0.111 0.000 0.754 407 A CB 0.108 19.063 19.000 -0.075 0.000 0.977 407 A HN 0.405 nan 8.150 nan 0.000 0.509 411 L N 3.008 124.254 121.223 0.039 0.000 2.296 411 L HA 0.676 5.016 4.340 -0.000 0.000 0.286 411 L C -0.619 176.291 176.870 0.068 0.000 1.023 411 L CA -0.380 54.496 54.840 0.059 0.000 0.812 411 L CB 1.797 43.885 42.059 0.049 0.000 1.223 411 L HN 0.524 nan 8.230 nan 0.000 0.421 412 V N 5.546 125.527 119.914 0.111 0.000 2.304 412 V HA 0.421 4.541 4.120 -0.000 0.000 0.278 412 V C 0.000 176.179 176.094 0.141 0.000 1.018 412 V CA -0.545 61.833 62.300 0.131 0.000 0.814 412 V CB 1.045 32.976 31.823 0.180 0.000 1.021 412 V HN 0.612 nan 8.190 nan 0.000 0.440 413 I N 2.075 122.713 120.570 0.113 0.000 2.437 413 I HA 0.959 5.128 4.170 -0.000 0.000 0.298 413 I C -0.207 175.979 176.117 0.114 0.000 0.984 413 I CA -0.006 61.364 61.300 0.118 0.000 1.214 413 I CB 1.992 40.042 38.000 0.082 0.000 1.365 413 I HN 0.546 nan 8.210 nan 0.000 0.469 414 S N 5.829 121.617 115.700 0.146 0.000 2.606 414 S HA 0.424 4.894 4.470 -0.000 0.000 0.290 414 S C -2.991 171.718 174.600 0.183 0.000 1.103 414 S CA -0.806 57.464 58.200 0.117 0.000 0.870 414 S CB 1.695 64.916 63.200 0.036 0.000 1.077 414 S HN 0.724 nan 8.310 nan 0.000 0.448 415 P HA 0.059 nan 4.420 nan 0.000 0.267 415 P C 0.965 178.408 177.300 0.238 0.000 1.201 415 P CA -0.313 62.873 63.100 0.144 0.000 0.775 415 P CB 0.426 32.178 31.700 0.087 0.000 0.854 416 L N 3.170 124.527 121.223 0.223 0.000 2.079 416 L HA -0.080 4.260 4.340 -0.000 0.000 0.210 416 L C 0.752 177.773 176.870 0.252 0.000 1.081 416 L CA 1.878 56.885 54.840 0.279 0.000 0.752 416 L CB -0.038 42.079 42.059 0.098 0.000 0.896 416 L HN 0.213 nan 8.230 nan 0.000 0.433 417 V N -0.986 119.011 119.914 0.138 0.000 3.087 417 V HA 0.425 4.545 4.120 -0.000 0.000 0.306 417 V C -0.594 175.533 176.094 0.056 0.000 1.187 417 V CA -0.930 61.424 62.300 0.089 0.000 0.999 417 V CB 2.336 34.198 31.823 0.065 0.000 1.049 417 V HN 0.009 nan 8.190 nan 0.000 0.431 418 R N 1.806 122.327 120.500 0.036 0.000 2.371 418 R HA 0.577 4.917 4.340 -0.000 0.000 0.312 418 R C 0.759 177.070 176.300 0.017 0.000 0.980 418 R CA 0.320 56.434 56.100 0.024 0.000 0.867 418 R CB 1.409 31.719 30.300 0.016 0.000 1.163 418 R HN 1.194 nan 8.270 nan 0.000 0.492 419 G N 2.671 111.480 108.800 0.015 0.000 2.602 419 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.310 419 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.310 419 G C 0.648 175.551 174.900 0.006 0.000 1.183 419 G CA -0.041 45.064 45.100 0.009 0.000 0.979 419 G HN 0.497 nan 8.290 nan 0.000 0.545 420 R N 0.495 120.996 120.500 0.003 0.000 2.432 420 R HA 0.388 4.728 4.340 -0.000 0.000 0.260 420 R C 0.561 176.863 176.300 0.003 0.000 0.935 420 R CA 0.058 56.156 56.100 -0.002 0.000 1.080 420 R CB -0.022 30.275 30.300 -0.006 0.000 1.155 420 R HN 0.541 nan 8.270 nan 0.000 0.531 421 I N 3.472 124.047 120.570 0.008 0.000 2.336 421 I HA 0.246 4.416 4.170 -0.000 0.000 0.292 421 I C -2.138 173.991 176.117 0.021 0.000 0.991 421 I CA -2.256 59.051 61.300 0.012 0.000 1.227 421 I CB 2.043 40.046 38.000 0.005 0.000 1.366 421 I HN -0.274 nan 8.210 nan 0.000 0.466 422 P HA 0.160 nan 4.420 nan 0.000 0.285 422 P C 0.060 177.373 177.300 0.023 0.000 1.259 422 P CA -0.280 62.856 63.100 0.061 0.000 0.794 422 P CB 1.542 33.294 31.700 0.086 0.000 0.940 423 T N 1.782 116.352 114.554 0.025 0.000 3.043 423 T HA 0.121 4.471 4.350 -0.000 0.000 0.263 423 T C 0.245 174.666 174.700 -0.464 0.000 1.094 423 T CA 1.136 63.116 62.100 -0.200 0.000 1.127 423 T CB -0.341 68.381 68.868 -0.243 0.000 0.905 423 T HN 0.316 nan 8.240 nan 0.000 0.490 424 F N 1.950 121.895 119.950 -0.009 0.000 2.467 424 F HA 0.605 5.132 4.527 -0.000 0.000 0.336 424 F C 0.134 175.924 175.800 -0.017 0.000 1.123 424 F CA -1.407 56.576 58.000 -0.029 0.000 0.964 424 F CB 1.354 40.328 39.000 -0.043 0.000 1.136 424 F HN -0.156 nan 8.300 nan 0.000 0.447 425 V N -1.121 118.841 119.914 0.081 0.000 3.156 425 V HA 0.549 4.669 4.120 -0.000 0.000 0.310 425 V C -0.016 176.092 176.094 0.024 0.000 1.234 425 V CA -0.770 61.563 62.300 0.055 0.000 1.065 425 V CB 2.067 33.905 31.823 0.024 0.000 1.088 425 V HN 0.559 nan 8.190 nan 0.000 0.451 426 D N 0.020 120.426 120.400 0.010 0.000 2.277 426 D HA 0.136 4.776 4.640 -0.000 0.000 0.208 426 D C 0.388 176.680 176.300 -0.014 0.000 0.962 426 D CA 1.252 55.247 54.000 -0.008 0.000 0.865 426 D CB 0.535 41.326 40.800 -0.016 0.000 0.939 426 D HN 0.577 nan 8.370 nan 0.000 0.510 427 K N 0.683 121.073 120.400 -0.016 0.000 2.571 427 K HA 0.213 4.533 4.320 -0.000 0.000 0.252 427 K C -0.931 175.650 176.600 -0.032 0.000 0.956 427 K CA -0.504 55.768 56.287 -0.026 0.000 0.822 427 K CB 2.383 34.866 32.500 -0.028 0.000 1.286 427 K HN -0.195 nan 8.250 nan 0.000 0.439 428 V N 1.221 121.111 119.914 -0.041 0.000 2.732 428 V HA 0.221 4.341 4.120 -0.000 0.000 0.297 428 V C 0.914 176.977 176.094 -0.053 0.000 1.060 428 V CA -0.028 62.243 62.300 -0.048 0.000 1.038 428 V CB 1.337 33.125 31.823 -0.058 0.000 1.003 428 V HN 0.915 nan 8.190 nan 0.000 0.481 429 N N 1.704 120.378 118.700 -0.042 0.000 2.084 429 N HA -0.066 4.674 4.740 -0.000 0.000 0.190 429 N C 0.266 175.734 175.510 -0.070 0.000 1.030 429 N CA 1.654 54.673 53.050 -0.052 0.000 0.849 429 N CB -0.034 38.472 38.487 0.031 0.000 1.012 429 N HN 0.860 nan 8.380 nan 0.000 0.423 430 T N 0.443 114.966 114.554 -0.051 0.000 2.861 430 T HA 0.456 4.806 4.350 -0.000 0.000 0.287 430 T C -0.720 173.941 174.700 -0.064 0.000 1.003 430 T CA -0.661 61.404 62.100 -0.059 0.000 0.977 430 T CB 2.916 71.755 68.868 -0.047 0.000 0.996 430 T HN -0.298 nan 8.240 nan 0.000 0.448 431 V N 4.013 123.889 119.914 -0.064 0.000 2.347 431 V HA 0.327 4.447 4.120 -0.000 0.000 0.280 431 V C 0.095 176.160 176.094 -0.049 0.000 1.021 431 V CA -0.383 61.884 62.300 -0.056 0.000 0.847 431 V CB 1.009 32.801 31.823 -0.051 0.000 0.990 431 V HN 0.799 nan 8.190 nan 0.000 0.444 432 I N 3.032 123.571 120.570 -0.052 0.000 3.300 432 I HA 0.149 4.319 4.170 -0.000 0.000 0.279 432 I C 1.005 177.156 176.117 0.056 0.000 1.172 432 I CA 1.105 62.386 61.300 -0.033 0.000 1.431 432 I CB 0.371 38.306 38.000 -0.109 0.000 1.240 432 I HN 0.564 nan 8.210 nan 0.000 0.453 433 T N 4.052 118.639 114.554 0.054 0.000 2.815 433 T HA 0.373 4.723 4.350 -0.000 0.000 0.289 433 T C -2.653 172.130 174.700 0.137 0.000 1.000 433 T CA -1.299 60.908 62.100 0.179 0.000 0.958 433 T CB 1.974 71.022 68.868 0.298 0.000 0.944 433 T HN -0.102 nan 8.240 nan 0.000 0.442 434 P HA 0.124 nan 4.420 nan 0.000 0.268 434 P C 1.145 178.522 177.300 0.130 0.000 1.205 434 P CA -0.084 63.055 63.100 0.065 0.000 0.771 434 P CB 0.813 32.495 31.700 -0.031 0.000 0.858 435 G N 2.602 111.487 108.800 0.142 0.000 2.475 435 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.220 435 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.220 435 G C 1.328 176.309 174.900 0.136 0.000 1.125 435 G CA 1.395 46.627 45.100 0.221 0.000 0.755 435 G HN 0.618 nan 8.290 nan 0.000 0.565 436 T N -1.836 112.777 114.554 0.098 0.000 3.052 436 T HA -0.001 4.349 4.350 -0.000 0.000 0.270 436 T C 2.105 176.854 174.700 0.082 0.000 1.147 436 T CA 1.560 63.701 62.100 0.068 0.000 1.089 436 T CB -0.064 68.851 68.868 0.078 0.000 0.875 436 T HN 0.153 nan 8.240 nan 0.000 0.541 437 S N -0.120 115.656 115.700 0.127 0.000 2.523 437 S HA 0.333 4.803 4.470 -0.000 0.000 0.217 437 S C 0.414 175.071 174.600 0.094 0.000 0.996 437 S CA -0.464 57.819 58.200 0.139 0.000 0.921 437 S CB 0.468 63.818 63.200 0.250 0.000 0.829 437 S HN 0.377 nan 8.310 nan 0.000 0.495 438 V N 3.149 123.124 119.914 0.102 0.000 2.383 438 V HA 0.275 4.395 4.120 -0.000 0.000 0.275 438 V C 0.275 176.362 176.094 -0.012 0.000 1.036 438 V CA -0.340 62.028 62.300 0.113 0.000 0.889 438 V CB 1.428 33.408 31.823 0.262 0.000 0.985 438 V HN 0.238 nan 8.190 nan 0.000 0.459 439 D N 2.914 123.312 120.400 -0.003 0.000 2.414 439 D HA 0.117 4.757 4.640 -0.000 0.000 0.237 439 D C 0.206 176.494 176.300 -0.021 0.000 0.975 439 D CA 1.139 55.110 54.000 -0.048 0.000 0.917 439 D CB 0.967 41.770 40.800 0.004 0.000 1.061 439 D HN 0.377 nan 8.370 nan 0.000 0.480 440 V N 1.595 121.550 119.914 0.068 0.000 2.638 440 V HA 0.331 4.451 4.120 -0.000 0.000 0.306 440 V C -0.210 175.979 176.094 0.159 0.000 1.052 440 V CA -0.830 61.531 62.300 0.101 0.000 0.885 440 V CB 2.821 34.675 31.823 0.053 0.000 0.999 440 V HN -0.217 nan 8.190 nan 0.000 0.424 441 V N 4.824 124.872 119.914 0.223 0.000 2.483 441 V HA 0.593 4.713 4.120 -0.000 0.000 0.295 441 V C -0.361 175.806 176.094 0.122 0.000 1.035 441 V CA -0.505 61.934 62.300 0.233 0.000 0.896 441 V CB 2.041 34.068 31.823 0.340 0.000 0.986 441 V HN 0.635 nan 8.190 nan 0.000 0.447 442 V N 4.349 124.334 119.914 0.119 0.000 2.487 442 V HA 0.723 4.843 4.120 -0.000 0.000 0.298 442 V C 0.220 176.382 176.094 0.114 0.000 1.028 442 V CA -0.258 62.080 62.300 0.063 0.000 0.860 442 V CB 1.911 33.762 31.823 0.047 0.000 0.991 442 V HN 1.064 nan 8.190 nan 0.000 0.427 443 T N 0.142 114.737 114.554 0.069 0.000 2.724 443 T HA 0.432 4.782 4.350 -0.000 0.000 0.274 443 T C 0.662 175.439 174.700 0.129 0.000 0.984 443 T CA -0.186 61.971 62.100 0.095 0.000 1.024 443 T CB 1.911 70.768 68.868 -0.017 0.000 1.320 443 T HN 0.619 nan 8.240 nan 0.000 0.555 444 E N 0.223 120.488 120.200 0.109 0.000 2.478 444 E HA 0.049 4.399 4.350 -0.000 0.000 0.194 444 E C 1.225 177.921 176.600 0.159 0.000 1.045 444 E CA 0.429 56.912 56.400 0.139 0.000 0.868 444 E CB -0.258 29.480 29.700 0.064 0.000 0.885 444 E HN 0.407 nan 8.360 nan 0.000 0.505 445 V N -0.003 119.945 119.914 0.057 0.000 3.644 445 V HA 0.348 4.468 4.120 -0.000 0.000 0.267 445 V C 1.055 177.096 176.094 -0.088 0.000 1.277 445 V CA 0.597 62.895 62.300 -0.004 0.000 1.096 445 V CB 0.250 32.036 31.823 -0.061 0.000 0.828 445 V HN 0.552 nan 8.190 nan 0.000 0.446 446 G N -0.091 108.615 108.800 -0.157 0.000 2.350 446 G HA2 0.243 4.203 3.960 -0.000 0.000 0.282 446 G HA3 0.243 4.203 3.960 -0.000 0.000 0.282 446 G C -1.938 172.792 174.900 -0.284 0.000 1.314 446 G CA -0.678 44.210 45.100 -0.354 0.000 0.915 446 G HN -0.082 nan 8.290 nan 0.000 0.499 447 I N 1.188 121.590 120.570 -0.281 0.000 2.525 447 I HA 0.761 4.931 4.170 -0.000 0.000 0.301 447 I C 0.589 176.648 176.117 -0.097 0.000 0.992 447 I CA -0.624 60.565 61.300 -0.185 0.000 1.162 447 I CB 1.867 39.719 38.000 -0.247 0.000 1.332 447 I HN 1.196 nan 8.210 nan 0.000 0.458 448 A N 7.425 130.243 122.820 -0.003 0.000 2.363 448 A HA 0.699 5.019 4.320 -0.000 0.000 0.296 448 A C -0.632 177.076 177.584 0.206 0.000 1.237 448 A CA -0.431 51.666 52.037 0.100 0.000 0.773 448 A CB 0.090 19.155 19.000 0.109 0.000 1.153 448 A HN 0.570 nan 8.150 nan 0.000 0.473 449 I N 2.573 123.223 120.570 0.133 0.000 2.371 449 I HA 0.106 4.276 4.170 -0.000 0.000 0.290 449 I C 0.501 176.604 176.117 -0.024 0.000 1.028 449 I CA -0.672 60.675 61.300 0.078 0.000 1.345 449 I CB 0.879 38.936 38.000 0.094 0.000 1.407 449 I HN 0.630 nan 8.210 nan 0.000 0.501 450 N N 9.668 128.164 118.700 -0.340 0.000 2.440 450 N HA 0.015 4.755 4.740 -0.000 0.000 0.265 450 N C -1.358 173.979 175.510 -0.289 0.000 1.239 450 N CA -1.302 51.283 53.050 -0.775 0.000 0.909 450 N CB 1.090 38.997 38.487 -0.966 0.000 1.066 450 N HN 0.384 nan 8.380 nan 0.000 0.474 451 P HA -0.132 nan 4.420 nan 0.000 0.226 451 P C 0.576 177.840 177.300 -0.061 0.000 1.146 451 P CA 0.903 63.973 63.100 -0.050 0.000 0.773 451 P CB 0.325 32.031 31.700 0.010 0.000 0.772 452 N N -0.028 118.603 118.700 -0.115 0.000 2.550 452 N HA -0.069 4.671 4.740 -0.000 0.000 0.186 452 N C 0.495 175.966 175.510 -0.065 0.000 1.110 452 N CA 0.411 53.413 53.050 -0.080 0.000 0.912 452 N CB -0.090 38.337 38.487 -0.100 0.000 0.968 452 N HN -0.154 nan 8.380 nan 0.000 0.448 453 R N 0.346 120.803 120.500 -0.071 0.000 3.057 453 R HA 0.236 4.576 4.340 -0.000 0.000 0.291 453 R C -1.933 174.358 176.300 -0.015 0.000 1.394 453 R CA -1.717 54.361 56.100 -0.037 0.000 1.630 453 R CB 0.733 31.016 30.300 -0.029 0.000 1.268 453 R HN 0.280 nan 8.270 nan 0.000 0.621 454 P HA -0.173 nan 4.420 nan 0.000 0.220 454 P C 0.594 177.891 177.300 -0.004 0.000 1.148 454 P CA 1.148 64.246 63.100 -0.003 0.000 0.803 454 P CB 0.341 32.039 31.700 -0.004 0.000 0.782 455 D N -0.354 120.035 120.400 -0.017 0.000 2.219 455 D HA -0.119 4.521 4.640 -0.000 0.000 0.205 455 D C 1.797 178.065 176.300 -0.053 0.000 0.970 455 D CA 0.715 54.694 54.000 -0.035 0.000 0.851 455 D CB -0.796 39.969 40.800 -0.057 0.000 0.943 455 D HN 0.121 nan 8.370 nan 0.000 0.488 456 L N 0.450 121.654 121.223 -0.031 0.000 2.209 456 L HA 0.177 4.516 4.340 -0.000 0.000 0.207 456 L C 2.554 179.469 176.870 0.074 0.000 1.094 456 L CA 0.547 55.366 54.840 -0.034 0.000 0.790 456 L CB -0.425 41.697 42.059 0.104 0.000 0.932 456 L HN -0.011 nan 8.230 nan 0.000 0.447 457 I N -0.113 120.509 120.570 0.087 0.000 2.286 457 I HA -0.311 3.859 4.170 -0.000 0.000 0.248 457 I C 2.437 178.599 176.117 0.075 0.000 1.115 457 I CA 1.516 62.879 61.300 0.105 0.000 1.392 457 I CB -0.167 37.868 38.000 0.059 0.000 1.065 457 I HN 0.429 nan 8.210 nan 0.000 0.418 458 E N 0.385 120.604 120.200 0.031 0.000 2.028 458 E HA -0.280 4.070 4.350 -0.000 0.000 0.190 458 E C 2.290 178.875 176.600 -0.025 0.000 0.984 458 E CA 1.102 57.505 56.400 0.005 0.000 0.800 458 E CB -0.803 28.895 29.700 -0.003 0.000 0.758 458 E HN 0.426 nan 8.360 nan 0.000 0.448 459 Y N 0.182 120.359 120.300 -0.204 0.000 2.256 459 Y HA -0.177 4.373 4.550 -0.000 0.000 0.288 459 Y C 1.261 176.979 175.900 -0.303 0.000 1.155 459 Y CA 1.556 59.455 58.100 -0.334 0.000 1.203 459 Y CB 0.041 38.157 38.460 -0.574 0.000 0.980 459 Y HN 0.042 nan 8.280 nan 0.000 0.530 460 F N 0.179 120.181 119.950 0.085 0.000 2.727 460 F HA 0.121 4.648 4.527 -0.000 0.000 0.302 460 F C 1.904 177.688 175.800 -0.027 0.000 1.097 460 F CA -0.021 57.993 58.000 0.024 0.000 1.330 460 F CB -0.541 38.484 39.000 0.043 0.000 1.084 460 F HN 0.033 nan 8.300 nan 0.000 0.578 461 K N -0.137 120.323 120.400 0.099 0.000 2.077 461 K HA -0.240 4.080 4.320 -0.000 0.000 0.213 461 K C 0.672 177.287 176.600 0.025 0.000 1.051 461 K CA 2.385 58.699 56.287 0.044 0.000 0.929 461 K CB -0.414 32.085 32.500 -0.003 0.000 0.715 461 K HN 0.059 nan 8.250 nan 0.000 0.451 462 D N 0.601 121.004 120.400 0.005 0.000 2.339 462 D HA 0.081 4.720 4.640 -0.000 0.000 0.217 462 D C 0.201 176.506 176.300 0.010 0.000 1.050 462 D CA -0.054 53.942 54.000 -0.007 0.000 0.856 462 D CB 0.050 40.828 40.800 -0.036 0.000 0.922 462 D HN 0.217 nan 8.370 nan 0.000 0.518 463 L N 1.679 122.935 121.223 0.055 0.000 2.584 463 L HA -0.048 4.292 4.340 -0.000 0.000 0.272 463 L C 0.329 177.190 176.870 -0.016 0.000 1.195 463 L CA 0.115 54.983 54.840 0.047 0.000 0.920 463 L CB 0.371 42.479 42.059 0.081 0.000 1.173 463 L HN -0.382 nan 8.230 nan 0.000 0.489 464 K N 5.595 125.984 120.400 -0.020 0.000 2.243 464 K HA 0.269 4.589 4.320 -0.000 0.000 0.232 464 K C -1.070 175.501 176.600 -0.049 0.000 1.237 464 K CA 0.047 56.318 56.287 -0.027 0.000 1.161 464 K CB -0.159 32.336 32.500 -0.008 0.000 1.505 464 K HN 0.367 nan 8.250 nan 0.000 0.271 465 V N 3.354 123.201 119.914 -0.111 0.000 2.924 465 V HA 0.185 4.305 4.120 -0.000 0.000 0.300 465 V C -2.386 173.554 176.094 -0.256 0.000 1.227 465 V CA -1.820 60.338 62.300 -0.237 0.000 0.954 465 V CB 2.578 34.185 31.823 -0.360 0.000 1.055 465 V HN 0.408 nan 8.190 nan 0.000 0.429 466 P HA 0.128 nan 4.420 nan 0.000 0.263 466 P C -1.046 176.122 177.300 -0.220 0.000 1.195 466 P CA 0.157 63.132 63.100 -0.209 0.000 0.762 466 P CB 0.494 32.084 31.700 -0.182 0.000 0.799 467 Q N 2.082 121.798 119.800 -0.140 0.000 2.337 467 Q HA 0.610 4.950 4.340 -0.000 0.000 0.266 467 Q C -0.500 175.454 176.000 -0.077 0.000 1.023 467 Q CA -0.804 54.932 55.803 -0.111 0.000 0.829 467 Q CB 1.689 30.384 28.738 -0.071 0.000 1.306 467 Q HN 0.326 nan 8.270 nan 0.000 0.449 468 L N -0.189 120.993 121.223 -0.070 0.000 2.251 468 L HA 0.593 4.933 4.340 -0.000 0.000 0.244 468 L C 0.082 176.943 176.870 -0.015 0.000 1.095 468 L CA -0.912 53.897 54.840 -0.053 0.000 0.910 468 L CB 1.328 43.335 42.059 -0.087 0.000 1.516 468 L HN 0.659 nan 8.230 nan 0.000 0.429 469 T N -2.488 112.058 114.554 -0.012 0.000 2.934 469 T HA 0.400 4.750 4.350 -0.000 0.000 0.283 469 T C 0.895 175.582 174.700 -0.021 0.000 1.005 469 T CA -0.398 61.720 62.100 0.030 0.000 1.041 469 T CB 1.024 69.909 68.868 0.027 0.000 1.042 469 T HN 0.473 nan 8.240 nan 0.000 0.505 470 I N 1.017 121.582 120.570 -0.009 0.000 2.335 470 I HA -0.069 4.101 4.170 -0.000 0.000 0.251 470 I C 2.037 178.071 176.117 -0.138 0.000 1.129 470 I CA 1.573 62.756 61.300 -0.195 0.000 1.402 470 I CB -0.673 36.984 38.000 -0.571 0.000 1.069 470 I HN 0.790 nan 8.210 nan 0.000 0.424 471 E N 0.463 120.621 120.200 -0.069 0.000 2.106 471 E HA -0.200 4.150 4.350 -0.000 0.000 0.192 471 E C 2.117 178.681 176.600 -0.059 0.000 0.984 471 E CA 1.393 57.762 56.400 -0.051 0.000 0.806 471 E CB -0.250 29.435 29.700 -0.025 0.000 0.750 471 E HN 0.583 nan 8.360 nan 0.000 0.458 472 E N 0.133 120.292 120.200 -0.068 0.000 2.150 472 E HA -0.107 4.242 4.350 -0.000 0.000 0.193 472 E C 1.982 178.514 176.600 -0.113 0.000 0.985 472 E CA 0.545 56.902 56.400 -0.072 0.000 0.814 472 E CB -0.061 29.599 29.700 -0.066 0.000 0.752 472 E HN 0.238 nan 8.360 nan 0.000 0.466 473 L N 1.127 122.232 121.223 -0.196 0.000 2.093 473 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 473 L C 2.667 179.407 176.870 -0.217 0.000 1.085 473 L CA 0.950 55.577 54.840 -0.355 0.000 0.755 473 L CB -0.409 41.208 42.059 -0.737 0.000 0.904 473 L HN 0.062 nan 8.230 nan 0.000 0.435 474 K N 1.011 121.362 120.400 -0.082 0.000 2.002 474 K HA -0.205 4.114 4.320 -0.000 0.000 0.209 474 K C 1.825 178.465 176.600 0.067 0.000 1.048 474 K CA 1.770 58.090 56.287 0.056 0.000 0.930 474 K CB -0.061 32.466 32.500 0.045 0.000 0.714 474 K HN 0.370 nan 8.250 nan 0.000 0.438 475 E N 0.446 120.661 120.200 0.024 0.000 2.077 475 E HA -0.204 4.145 4.350 -0.000 0.000 0.193 475 E C 2.002 178.661 176.600 0.099 0.000 0.989 475 E CA 1.353 57.790 56.400 0.061 0.000 0.800 475 E CB -0.076 29.630 29.700 0.009 0.000 0.746 475 E HN 0.123 nan 8.360 nan 0.000 0.452 476 K N 0.875 121.290 120.400 0.024 0.000 2.209 476 K HA -0.094 4.226 4.320 -0.000 0.000 0.204 476 K C 1.646 178.265 176.600 0.032 0.000 1.048 476 K CA 1.216 57.507 56.287 0.007 0.000 0.940 476 K CB -0.102 32.363 32.500 -0.059 0.000 0.729 476 K HN 0.139 nan 8.250 nan 0.000 0.451 477 A N -0.631 122.228 122.820 0.066 0.000 1.887 477 A HA -0.049 4.271 4.320 -0.000 0.000 0.212 477 A C 2.068 179.717 177.584 0.107 0.000 1.198 477 A CA 0.970 53.067 52.037 0.101 0.000 0.628 477 A CB -0.933 18.171 19.000 0.173 0.000 0.847 477 A HN 0.494 nan 8.150 nan 0.000 0.449 478 Y N 1.055 121.370 120.300 0.026 0.000 2.256 478 Y HA -0.075 4.474 4.550 -0.000 0.000 0.288 478 Y C 2.097 178.004 175.900 0.012 0.000 1.155 478 Y CA 1.136 59.248 58.100 0.019 0.000 1.203 478 Y CB -0.253 38.215 38.460 0.014 0.000 0.980 478 Y HN 0.262 nan 8.280 nan 0.000 0.530 479 A N -0.442 122.389 122.820 0.019 0.000 2.252 479 A HA 0.136 4.456 4.320 -0.000 0.000 0.207 479 A C 1.712 179.236 177.584 -0.099 0.000 1.194 479 A CA 1.014 53.011 52.037 -0.067 0.000 0.809 479 A CB -0.848 18.183 19.000 0.051 0.000 0.814 479 A HN 0.633 nan 8.150 nan 0.000 0.482 480 I N -1.579 118.932 120.570 -0.098 0.000 3.673 480 I HA 0.008 4.178 4.170 -0.000 0.000 0.281 480 I C 1.431 177.496 176.117 -0.087 0.000 1.182 480 I CA 0.726 61.986 61.300 -0.067 0.000 1.391 480 I CB 0.656 38.644 38.000 -0.019 0.000 1.383 480 I HN 0.133 nan 8.210 nan 0.000 0.456 481 V N -1.458 118.397 119.914 -0.099 0.000 3.276 481 V HA 0.632 4.752 4.120 -0.000 0.000 0.319 481 V C 0.777 176.784 176.094 -0.146 0.000 1.427 481 V CA -0.088 62.159 62.300 -0.089 0.000 1.102 481 V CB -0.665 31.138 31.823 -0.033 0.000 1.020 481 V HN 0.442 nan 8.190 nan 0.000 0.456 482 G N 1.573 110.184 108.800 -0.316 0.000 2.915 482 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.337 482 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.337 482 G C -0.232 174.555 174.900 -0.189 0.000 1.477 482 G CA 0.144 44.944 45.100 -0.499 0.000 0.916 482 G HN 0.735 nan 8.290 nan 0.000 0.550 483 N N 1.557 120.283 118.700 0.043 0.000 2.447 483 N HA 0.216 4.956 4.740 -0.000 0.000 0.263 483 N C -1.229 174.350 175.510 0.115 0.000 1.226 483 N CA -0.410 52.813 53.050 0.288 0.000 0.906 483 N CB 0.399 39.104 38.487 0.363 0.000 1.060 483 N HN 0.539 nan 8.380 nan 0.000 0.468 484 P HA 0.021 nan 4.420 nan 0.000 0.271 484 P C -0.624 176.710 177.300 0.056 0.000 1.216 484 P CA -0.264 62.871 63.100 0.059 0.000 0.776 484 P CB 0.631 32.365 31.700 0.056 0.000 0.881 485 Q N 3.969 123.793 119.800 0.041 0.000 2.296 485 Q HA 0.243 4.583 4.340 -0.000 0.000 0.263 485 Q C -2.074 173.953 176.000 0.045 0.000 1.026 485 Q CA -1.542 54.285 55.803 0.039 0.000 0.912 485 Q CB -0.811 27.942 28.738 0.025 0.000 1.198 485 Q HN 0.317 nan 8.270 nan 0.000 0.407 486 P HA -0.055 nan 4.420 nan 0.000 0.268 486 P C -0.944 176.405 177.300 0.080 0.000 1.189 486 P CA 0.246 63.392 63.100 0.076 0.000 0.771 486 P CB 0.393 32.134 31.700 0.069 0.000 0.822 487 I N 0.952 121.604 120.570 0.137 0.000 2.664 487 I HA 0.201 4.371 4.170 -0.000 0.000 0.308 487 I C 0.465 176.632 176.117 0.083 0.000 0.984 487 I CA -0.499 60.837 61.300 0.060 0.000 1.213 487 I CB 0.582 38.560 38.000 -0.036 0.000 1.379 487 I HN 0.137 nan 8.210 nan 0.000 0.501 488 Q N 3.756 123.523 119.800 -0.055 0.000 2.441 488 Q HA 0.314 4.654 4.340 -0.000 0.000 0.234 488 Q C -1.376 174.567 176.000 -0.095 0.000 1.078 488 Q CA -0.188 55.606 55.803 -0.015 0.000 0.907 488 Q CB 0.256 28.975 28.738 -0.032 0.000 1.269 488 Q HN 0.446 nan 8.270 nan 0.000 0.502 489 Y N -0.136 120.164 120.300 -0.001 0.000 2.320 489 Y HA 0.510 5.060 4.550 -0.000 0.000 0.324 489 Y C 1.311 177.212 175.900 0.002 0.000 1.190 489 Y CA -0.225 57.874 58.100 -0.001 0.000 1.215 489 Y CB 1.143 39.602 38.460 -0.002 0.000 1.221 489 Y HN 0.571 nan 8.280 nan 0.000 0.486 490 G N 0.367 109.250 108.800 0.139 0.000 2.531 490 G HA2 0.087 4.047 3.960 -0.000 0.000 0.253 490 G HA3 0.087 4.047 3.960 -0.000 0.000 0.253 490 G C -0.005 174.954 174.900 0.097 0.000 1.439 490 G CA -0.315 44.837 45.100 0.087 0.000 1.056 490 G HN 0.668 nan 8.290 nan 0.000 0.555 491 D N -1.240 119.201 120.400 0.069 0.000 2.441 491 D HA 0.080 4.720 4.640 -0.000 0.000 0.210 491 D C 0.507 176.848 176.300 0.069 0.000 1.102 491 D CA 0.028 54.067 54.000 0.064 0.000 0.840 491 D CB 0.668 41.496 40.800 0.048 0.000 0.990 491 D HN 0.223 nan 8.370 nan 0.000 0.505 492 K N 1.826 122.266 120.400 0.067 0.000 2.234 492 K HA 0.161 4.481 4.320 -0.000 0.000 0.282 492 K C -0.077 176.567 176.600 0.074 0.000 1.039 492 K CA -0.462 55.867 56.287 0.070 0.000 0.928 492 K CB 0.972 33.504 32.500 0.053 0.000 1.039 492 K HN -0.210 nan 8.250 nan 0.000 0.470 493 I N 6.370 126.994 120.570 0.091 0.000 2.329 493 I HA -0.044 4.126 4.170 -0.000 0.000 0.295 493 I C 1.388 177.508 176.117 0.004 0.000 1.109 493 I CA 0.126 61.455 61.300 0.050 0.000 1.297 493 I CB 0.532 38.577 38.000 0.074 0.000 1.433 493 I HN 0.593 nan 8.210 nan 0.000 0.509 494 V N 6.077 125.990 119.914 -0.000 0.000 2.626 494 V HA -0.034 4.086 4.120 -0.000 0.000 0.252 494 V C 1.015 177.080 176.094 -0.049 0.000 1.067 494 V CA 1.572 63.865 62.300 -0.011 0.000 1.081 494 V CB -0.044 31.781 31.823 0.002 0.000 0.686 494 V HN 0.901 nan 8.190 nan 0.000 0.468 495 A N -1.268 121.496 122.820 -0.093 0.000 2.599 495 A HA 0.665 4.985 4.320 -0.000 0.000 0.294 495 A C -1.467 175.987 177.584 -0.217 0.000 1.055 495 A CA -0.594 51.360 52.037 -0.137 0.000 0.683 495 A CB 1.009 19.952 19.000 -0.094 0.000 1.278 495 A HN 0.095 nan 8.150 nan 0.000 0.412 496 L N 1.208 122.265 121.223 -0.278 0.000 2.317 496 L HA 0.585 4.925 4.340 -0.000 0.000 0.281 496 L C -1.046 175.663 176.870 -0.268 0.000 1.024 496 L CA -0.799 53.825 54.840 -0.360 0.000 0.810 496 L CB 1.624 43.346 42.059 -0.561 0.000 1.240 496 L HN 0.572 nan 8.230 nan 0.000 0.427 497 I N 2.471 122.903 120.570 -0.231 0.000 2.307 497 I HA 0.174 4.344 4.170 -0.000 0.000 0.289 497 I C 0.281 176.294 176.117 -0.173 0.000 1.021 497 I CA -0.041 61.160 61.300 -0.166 0.000 1.224 497 I CB 1.268 39.199 38.000 -0.115 0.000 1.376 497 I HN 0.536 nan 8.210 nan 0.000 0.470 498 E N 6.286 126.390 120.200 -0.160 0.000 2.200 498 E HA 0.114 4.463 4.350 -0.000 0.000 0.283 498 E C -1.118 175.456 176.600 -0.043 0.000 1.015 498 E CA -0.632 55.696 56.400 -0.120 0.000 0.819 498 E CB 0.802 30.444 29.700 -0.097 0.000 1.081 498 E HN 0.442 nan 8.360 nan 0.000 0.397 499 Y N 4.418 124.620 120.300 -0.163 0.000 2.426 499 Y HA -0.026 4.524 4.550 -0.000 0.000 0.344 499 Y C 1.717 177.530 175.900 -0.146 0.000 1.256 499 Y CA 0.229 58.228 58.100 -0.168 0.000 1.451 499 Y CB 0.781 39.101 38.460 -0.234 0.000 1.342 499 Y HN 0.636 nan 8.280 nan 0.000 0.600 500 R N 0.705 120.698 120.500 -0.844 0.000 2.174 500 R HA -0.233 4.107 4.340 -0.000 0.000 0.253 500 R C 0.848 176.941 176.300 -0.345 0.000 1.165 500 R CA 2.110 57.856 56.100 -0.589 0.000 0.984 500 R CB -0.837 29.027 30.300 -0.728 0.000 0.873 500 R HN 0.739 nan 8.270 nan 0.000 0.456 501 D N -0.755 119.493 120.400 -0.253 0.000 2.363 501 D HA 0.048 4.688 4.640 -0.000 0.000 0.220 501 D C 1.265 177.558 176.300 -0.012 0.000 0.994 501 D CA 0.875 54.833 54.000 -0.070 0.000 0.890 501 D CB 0.252 41.078 40.800 0.042 0.000 0.906 501 D HN 0.537 nan 8.370 nan 0.000 0.530 502 G N -0.265 108.527 108.800 -0.012 0.000 2.195 502 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.224 502 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.224 502 G C 0.374 175.344 174.900 0.117 0.000 0.990 502 G CA 0.292 45.419 45.100 0.045 0.000 0.639 502 G HN 0.803 nan 8.290 nan 0.000 0.514 503 S N -0.206 115.522 115.700 0.047 0.000 2.713 503 S HA 0.813 5.283 4.470 -0.000 0.000 0.283 503 S C 0.166 174.746 174.600 -0.034 0.000 1.161 503 S CA -0.907 57.311 58.200 0.029 0.000 0.999 503 S CB 1.995 65.057 63.200 -0.230 0.000 1.039 503 S HN 0.575 nan 8.310 nan 0.000 0.548 504 L N 1.597 122.801 121.223 -0.031 0.000 2.276 504 L HA 0.399 4.739 4.340 -0.000 0.000 0.286 504 L C 0.705 177.498 176.870 -0.128 0.000 1.061 504 L CA -0.436 54.338 54.840 -0.110 0.000 0.807 504 L CB 1.266 43.260 42.059 -0.108 0.000 1.177 504 L HN 0.788 nan 8.230 nan 0.000 0.429 505 I N 1.302 121.793 120.570 -0.133 0.000 3.526 505 I HA 0.257 4.427 4.170 -0.000 0.000 0.294 505 I C 0.218 176.272 176.117 -0.106 0.000 1.229 505 I CA 0.996 62.206 61.300 -0.149 0.000 1.408 505 I CB 0.248 38.160 38.000 -0.148 0.000 1.127 505 I HN 0.684 nan 8.210 nan 0.000 0.439 506 D N -1.241 119.097 120.400 -0.103 0.000 2.865 506 D HA 0.508 5.148 4.640 -0.000 0.000 0.343 506 D C -1.431 174.799 176.300 -0.117 0.000 1.372 506 D CA 0.465 54.409 54.000 -0.093 0.000 0.862 506 D CB 1.436 42.185 40.800 -0.084 0.000 1.425 506 D HN -0.045 nan 8.370 nan 0.000 0.501 507 V N -2.144 117.707 119.914 -0.106 0.000 3.206 507 V HA 0.880 5.000 4.120 -0.000 0.000 0.305 507 V C -1.155 174.885 176.094 -0.090 0.000 1.257 507 V CA -0.788 61.437 62.300 -0.125 0.000 1.057 507 V CB 1.710 33.461 31.823 -0.119 0.000 1.075 507 V HN 0.399 nan 8.190 nan 0.000 0.443 508 V N 1.410 121.278 119.914 -0.078 0.000 2.588 508 V HA 0.637 4.756 4.120 -0.000 0.000 0.304 508 V C -0.017 176.090 176.094 0.021 0.000 1.042 508 V CA -0.545 61.744 62.300 -0.019 0.000 0.877 508 V CB 1.828 33.641 31.823 -0.016 0.000 0.996 508 V HN 0.973 nan 8.190 nan 0.000 0.425 509 R N 2.774 123.338 120.500 0.106 0.000 2.691 509 R HA 0.491 4.831 4.340 -0.000 0.000 0.259 509 R C -0.069 176.338 176.300 0.178 0.000 1.048 509 R CA -0.832 55.360 56.100 0.154 0.000 1.086 509 R CB 1.071 31.490 30.300 0.198 0.000 1.166 509 R HN 0.878 nan 8.270 nan 0.000 0.526 510 N N 0.110 118.875 118.700 0.108 0.000 2.467 510 N HA 0.063 4.803 4.740 -0.000 0.000 0.262 510 N C -0.716 174.771 175.510 -0.037 0.000 1.234 510 N CA -0.210 52.860 53.050 0.033 0.000 0.952 510 N CB 0.938 39.437 38.487 0.020 0.000 1.158 510 N HN 0.076 nan 8.380 nan 0.000 0.463 511 V N 1.304 121.145 119.914 -0.121 0.000 2.435 511 V HA 0.319 4.439 4.120 -0.000 0.000 0.290 511 V C 0.408 176.419 176.094 -0.138 0.000 1.030 511 V CA -0.890 61.264 62.300 -0.244 0.000 0.881 511 V CB 1.166 32.811 31.823 -0.295 0.000 0.983 511 V HN 0.491 nan 8.190 nan 0.000 0.445 512 L N 4.752 125.900 121.223 -0.125 0.000 2.326 512 L HA 0.476 4.816 4.340 -0.000 0.000 0.278 512 L C 0.994 177.820 176.870 -0.072 0.000 1.092 512 L CA -0.438 54.360 54.840 -0.070 0.000 0.810 512 L CB 0.620 42.654 42.059 -0.041 0.000 1.153 512 L HN 0.777 nan 8.230 nan 0.000 0.439 513 E N 0.000 120.169 120.200 -0.051 0.000 2.725 513 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 513 E CA 0.000 56.373 56.400 -0.045 0.000 0.976 513 E CB 0.000 29.680 29.700 -0.033 0.000 0.812 513 E HN 0.000 nan 8.360 nan 0.000 0.440