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 2wgy_1_A DATA FIRST_RESID 5 DATA SEQUENCE MSHEFQLATA ETWPNPWPMY RALRDHDPVH HVVPPQRPEY DYYVLSRHAD DATA SEQUENCE VWSAARDHQT FSSAQGLTVN YGELEMIGLH DTPPMVMQDP PVHTEFRKLV DATA SEQUENCE SRGFTPRQVE TVEPTVRKFV VERLEKLRAN GGGDIVTELF KPLPSMVVAH DATA SEQUENCE YLGVPEEDWT QFDGWTQAIV AANAXXXXXX GALDAVGSMM AYFTGLIERR DATA SEQUENCE RTEPADDAIS HLVAAGVGAD GDTAGTLSIL AFTFTMVTAG NDTVTGMLGG DATA SEQUENCE SMPLLHRRPD QRRLLLDDPE GIPDAVEELL RLTSPVQGLA RTTTRDVTIG DATA SEQUENCE DTTIPAGRRV LLLYGSANRD ERQYGPDAAE LDVTRCPRNI LTFSHGAHHC DATA SEQUENCE LGAAAARMQC RVALTELLAR CPDFEVAESR IVWSGGSYVR RPLSVPFRVT 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.214 176.300 -0.143 0.000 1.140 5 M CA 0.000 55.218 55.300 -0.136 0.000 0.988 5 M CB 0.000 32.558 32.600 -0.070 0.000 1.302 6 S N -0.159 115.392 115.700 -0.249 0.000 2.543 6 S HA 0.761 5.231 4.470 0.000 0.000 0.271 6 S C -0.222 174.192 174.600 -0.310 0.000 1.148 6 S CA -0.275 57.815 58.200 -0.184 0.000 0.914 6 S CB 1.042 64.152 63.200 -0.150 0.000 1.096 6 S HN 1.024 nan 8.310 nan 0.000 0.471 7 H N 1.545 120.586 119.070 -0.047 0.000 2.652 7 H HA 0.244 4.800 4.556 0.000 0.000 0.274 7 H C 0.009 175.332 175.328 -0.008 0.000 1.021 7 H CA -0.121 55.915 56.048 -0.020 0.000 1.187 7 H CB 0.625 30.394 29.762 0.011 0.000 1.505 7 H HN 0.529 nan 8.280 nan 0.000 0.530 8 E N 1.136 121.371 120.200 0.058 0.000 2.283 8 E HA 0.077 4.427 4.350 0.000 0.000 0.278 8 E C -0.784 175.827 176.600 0.018 0.000 1.027 8 E CA -0.626 55.803 56.400 0.048 0.000 0.843 8 E CB 0.354 30.070 29.700 0.028 0.000 1.062 8 E HN 0.021 nan 8.360 nan 0.000 0.401 9 F N 4.640 124.559 119.950 -0.052 0.000 2.578 9 F HA 0.127 4.654 4.527 0.000 0.000 0.376 9 F C -0.029 175.767 175.800 -0.007 0.000 1.085 9 F CA 0.645 58.625 58.000 -0.033 0.000 1.260 9 F CB 0.221 39.195 39.000 -0.043 0.000 1.095 9 F HN 0.463 nan 8.300 nan 0.000 0.573 10 Q N 5.826 124.941 119.800 -1.141 0.000 2.426 10 Q HA 0.386 4.726 4.340 0.000 0.000 0.278 10 Q C -1.701 173.661 176.000 -1.064 0.000 1.007 10 Q CA -1.153 54.143 55.803 -0.845 0.000 0.850 10 Q CB 1.591 30.083 28.738 -0.410 0.000 1.427 10 Q HN 0.666 nan 8.270 nan 0.000 0.391 11 L N 1.859 122.699 121.223 -0.637 0.000 2.490 11 L HA 0.340 4.680 4.340 0.000 0.000 0.274 11 L C 0.656 177.178 176.870 -0.580 0.000 1.201 11 L CA -0.009 54.535 54.840 -0.493 0.000 0.869 11 L CB 0.389 42.289 42.059 -0.265 0.000 1.123 11 L HN 0.839 nan 8.230 nan 0.000 0.484 12 A N 2.928 125.283 122.820 -0.776 0.000 2.425 12 A HA 0.522 4.842 4.320 0.000 0.000 0.242 12 A C 0.379 177.430 177.584 -0.888 0.000 1.077 12 A CA 0.135 51.509 52.037 -1.105 0.000 0.781 12 A CB 0.294 17.962 19.000 -2.220 0.000 1.020 12 A HN 0.793 nan 8.150 nan 0.000 0.494 13 T N -2.795 111.289 114.554 -0.784 0.000 2.831 13 T HA 0.634 4.985 4.350 0.000 0.000 0.287 13 T C 1.108 175.619 174.700 -0.314 0.000 1.070 13 T CA -0.018 61.830 62.100 -0.420 0.000 1.010 13 T CB 1.124 69.843 68.868 -0.248 0.000 1.264 13 T HN 1.427 nan 8.240 nan 0.000 0.532 14 A N 0.327 123.155 122.820 0.012 0.000 1.948 14 A HA -0.107 4.213 4.320 0.000 0.000 0.220 14 A C 1.934 179.593 177.584 0.125 0.000 1.177 14 A CA 2.142 54.309 52.037 0.218 0.000 0.636 14 A CB -1.194 17.924 19.000 0.197 0.000 0.815 14 A HN 0.906 nan 8.150 nan 0.000 0.449 15 E N -0.774 119.418 120.200 -0.013 0.000 2.274 15 E HA -0.049 4.301 4.350 0.000 0.000 0.194 15 E C 1.788 178.307 176.600 -0.135 0.000 0.996 15 E CA 1.422 57.797 56.400 -0.040 0.000 0.840 15 E CB -0.180 29.484 29.700 -0.060 0.000 0.772 15 E HN 0.818 nan 8.360 nan 0.000 0.491 16 T N -4.246 110.147 114.554 -0.269 0.000 3.044 16 T HA 0.066 4.416 4.350 0.000 0.000 0.260 16 T C 1.230 175.632 174.700 -0.497 0.000 1.019 16 T CA -0.510 61.357 62.100 -0.389 0.000 0.921 16 T CB -0.452 68.145 68.868 -0.452 0.000 1.053 16 T HN 0.207 nan 8.240 nan 0.000 0.533 17 W N 2.087 123.098 121.300 -0.481 0.000 2.465 17 W HA 0.112 4.772 4.660 0.000 0.000 0.268 17 W C -1.163 174.667 176.519 -1.148 0.000 1.242 17 W CA -0.268 56.611 57.345 -0.777 0.000 1.248 17 W CB -0.762 28.258 29.460 -0.734 0.000 1.118 17 W HN 0.331 nan 8.180 nan 0.000 0.587 18 P HA -0.181 nan 4.420 nan 0.000 0.216 18 P C 0.331 177.311 177.300 -0.535 0.000 1.150 18 P CA 1.796 64.571 63.100 -0.541 0.000 0.837 18 P CB 0.076 31.698 31.700 -0.130 0.000 0.786 19 N N -2.335 115.990 118.700 -0.625 0.000 2.716 19 N HA 0.167 4.907 4.740 0.000 0.000 0.245 19 N C -2.442 172.514 175.510 -0.924 0.000 1.495 19 N CA -1.555 51.028 53.050 -0.778 0.000 0.759 19 N CB 0.154 38.416 38.487 -0.376 0.000 1.261 19 N HN -0.145 nan 8.380 nan 0.000 0.515 20 P HA 0.129 nan 4.420 nan 0.000 0.241 20 P C 0.689 177.400 177.300 -0.982 0.000 1.191 20 P CA 0.306 62.735 63.100 -1.118 0.000 0.771 20 P CB -0.030 30.938 31.700 -1.220 0.000 0.929 21 W N 0.604 121.641 121.300 -0.438 0.000 2.381 21 W HA -0.021 4.639 4.660 0.001 0.000 0.301 21 W C -0.696 175.751 176.519 -0.119 0.000 1.205 21 W CA 0.217 57.399 57.345 -0.272 0.000 1.285 21 W CB -2.530 26.871 29.460 -0.098 0.000 1.133 21 W HN 0.097 nan 8.180 nan 0.000 0.521 22 P HA -0.232 nan 4.420 nan 0.000 0.217 22 P C 1.906 179.269 177.300 0.105 0.000 1.150 22 P CA 1.526 64.672 63.100 0.077 0.000 0.832 22 P CB -0.272 31.369 31.700 -0.099 0.000 0.787 23 M N -1.598 117.970 119.600 -0.054 0.000 2.175 23 M HA -0.164 4.317 4.480 0.000 0.000 0.264 23 M C 1.584 178.038 176.300 0.258 0.000 1.063 23 M CA 1.983 57.311 55.300 0.047 0.000 1.119 23 M CB -1.043 31.500 32.600 -0.093 0.000 1.377 23 M HN -0.067 nan 8.290 nan 0.000 0.415 24 Y N 0.202 120.588 120.300 0.144 0.000 2.181 24 Y HA -0.158 4.392 4.550 0.000 0.000 0.288 24 Y C 2.699 178.685 175.900 0.144 0.000 1.146 24 Y CA 1.116 59.322 58.100 0.177 0.000 1.164 24 Y CB -1.312 37.297 38.460 0.248 0.000 0.982 24 Y HN 0.253 nan 8.280 nan 0.000 0.515 25 R N 0.583 121.274 120.500 0.317 0.000 2.081 25 R HA -0.115 4.225 4.340 0.000 0.000 0.235 25 R C 2.343 178.728 176.300 0.142 0.000 1.131 25 R CA 1.282 57.503 56.100 0.202 0.000 0.960 25 R CB -0.894 29.520 30.300 0.190 0.000 0.856 25 R HN 0.337 nan 8.270 nan 0.000 0.436 26 A N 0.973 123.910 122.820 0.195 0.000 1.908 26 A HA -0.141 4.179 4.320 0.000 0.000 0.218 26 A C 2.474 180.140 177.584 0.138 0.000 1.181 26 A CA 1.308 53.467 52.037 0.203 0.000 0.627 26 A CB -0.609 18.536 19.000 0.243 0.000 0.818 26 A HN 0.292 nan 8.150 nan 0.000 0.445 27 L N -1.183 120.109 121.223 0.114 0.000 1.994 27 L HA -0.218 4.122 4.340 0.000 0.000 0.208 27 L C 2.924 179.820 176.870 0.043 0.000 1.071 27 L CA 1.700 56.569 54.840 0.049 0.000 0.745 27 L CB -0.565 41.519 42.059 0.042 0.000 0.892 27 L HN 0.368 nan 8.230 nan 0.000 0.431 28 R N -0.092 120.440 120.500 0.053 0.000 2.091 28 R HA -0.170 4.170 4.340 0.000 0.000 0.238 28 R C 1.830 178.106 176.300 -0.040 0.000 1.136 28 R CA 1.676 57.790 56.100 0.024 0.000 0.959 28 R CB -0.352 29.977 30.300 0.048 0.000 0.856 28 R HN 0.406 nan 8.270 nan 0.000 0.437 29 D N -1.211 119.109 120.400 -0.132 0.000 2.213 29 D HA -0.042 4.598 4.640 0.000 0.000 0.205 29 D C 1.179 177.223 176.300 -0.427 0.000 0.961 29 D CA 1.282 55.072 54.000 -0.350 0.000 0.853 29 D CB 0.115 40.562 40.800 -0.588 0.000 0.967 29 D HN 0.457 nan 8.370 nan 0.000 0.496 30 H N -1.872 117.225 119.070 0.045 0.000 3.241 30 H HA 0.245 4.801 4.556 0.000 0.000 0.260 30 H C -0.370 174.992 175.328 0.056 0.000 1.084 30 H CA -0.084 55.989 56.048 0.042 0.000 1.203 30 H CB 1.402 31.184 29.762 0.033 0.000 1.524 30 H HN -0.173 nan 8.280 nan 0.000 0.521 31 D N -0.065 120.419 120.400 0.140 0.000 3.118 31 D HA 0.065 4.705 4.640 0.000 0.000 0.259 31 D C -2.092 174.279 176.300 0.119 0.000 1.292 31 D CA -1.407 52.682 54.000 0.148 0.000 0.784 31 D CB 0.892 41.822 40.800 0.217 0.000 1.413 31 D HN -0.002 nan 8.370 nan 0.000 0.583 32 P HA -0.057 nan 4.420 nan 0.000 0.222 32 P C 0.363 177.712 177.300 0.082 0.000 1.147 32 P CA 0.508 63.647 63.100 0.066 0.000 0.790 32 P CB 0.545 32.274 31.700 0.048 0.000 0.780 33 V N 0.998 120.980 119.914 0.114 0.000 2.250 33 V HA 0.204 4.325 4.120 0.000 0.000 0.268 33 V C -0.291 175.932 176.094 0.216 0.000 1.043 33 V CA -0.755 61.631 62.300 0.143 0.000 0.814 33 V CB -0.167 31.719 31.823 0.105 0.000 1.072 33 V HN 0.079 nan 8.190 nan 0.000 0.451 34 H N 2.688 121.805 119.070 0.078 0.000 2.552 34 H HA 0.401 4.957 4.556 0.000 0.000 0.311 34 H C -0.199 175.097 175.328 -0.054 0.000 1.071 34 H CA -0.218 55.834 56.048 0.006 0.000 1.307 34 H CB 0.647 30.352 29.762 -0.096 0.000 1.416 34 H HN 0.709 nan 8.280 nan 0.000 0.464 35 H N 5.307 123.946 119.070 -0.720 0.000 2.604 35 H HA 0.360 4.916 4.556 0.000 0.000 0.306 35 H C -0.895 173.833 175.328 -1.001 0.000 1.075 35 H CA -0.892 54.579 56.048 -0.963 0.000 1.357 35 H CB 0.612 29.951 29.762 -0.706 0.000 1.426 35 H HN 0.360 nan 8.280 nan 0.000 0.470 36 V N 6.918 126.285 119.914 -0.911 0.000 2.370 36 V HA 0.123 4.243 4.120 0.000 0.000 0.279 36 V C -0.194 175.464 176.094 -0.726 0.000 1.029 36 V CA -0.648 61.166 62.300 -0.811 0.000 0.870 36 V CB 1.353 32.550 31.823 -1.044 0.000 0.984 36 V HN 0.521 nan 8.190 nan 0.000 0.451 37 V N 7.335 126.934 119.914 -0.526 0.000 2.305 37 V HA 0.315 4.435 4.120 0.000 0.000 0.275 37 V C -2.397 173.605 176.094 -0.153 0.000 1.020 37 V CA -1.851 60.234 62.300 -0.358 0.000 0.811 37 V CB 1.398 32.974 31.823 -0.411 0.000 1.031 37 V HN 0.740 nan 8.190 nan 0.000 0.439 38 P HA 0.150 nan 4.420 nan 0.000 0.262 38 P C -2.055 175.241 177.300 -0.007 0.000 1.199 38 P CA -0.941 62.172 63.100 0.022 0.000 0.763 38 P CB 0.437 32.204 31.700 0.111 0.000 0.790 39 P HA -0.202 nan 4.420 nan 0.000 0.218 39 P C 0.905 178.193 177.300 -0.019 0.000 1.148 39 P CA 1.535 64.621 63.100 -0.025 0.000 0.822 39 P CB -0.015 31.671 31.700 -0.024 0.000 0.784 40 Q N -1.692 118.098 119.800 -0.016 0.000 2.424 40 Q HA 0.068 4.408 4.340 0.000 0.000 0.204 40 Q C 0.992 176.971 176.000 -0.034 0.000 0.933 40 Q CA 0.751 56.538 55.803 -0.025 0.000 0.929 40 Q CB 0.008 28.729 28.738 -0.029 0.000 1.037 40 Q HN 0.005 nan 8.270 nan 0.000 0.511 41 R N 0.456 120.945 120.500 -0.019 0.000 2.640 41 R HA 0.216 4.556 4.340 0.000 0.000 0.240 41 R C -2.332 174.001 176.300 0.055 0.000 1.519 41 R CA -1.211 54.874 56.100 -0.024 0.000 1.570 41 R CB 0.581 30.814 30.300 -0.112 0.000 1.446 41 R HN -0.053 nan 8.270 nan 0.000 0.738 42 P HA -0.176 nan 4.420 nan 0.000 0.222 42 P C 0.412 177.758 177.300 0.076 0.000 1.147 42 P CA 1.027 64.145 63.100 0.031 0.000 0.790 42 P CB 0.389 32.086 31.700 -0.004 0.000 0.780 43 E N -0.988 119.279 120.200 0.112 0.000 2.418 43 E HA -0.169 4.181 4.350 0.000 0.000 0.197 43 E C 0.421 177.143 176.600 0.203 0.000 1.026 43 E CA 0.834 57.310 56.400 0.128 0.000 0.862 43 E CB -0.826 28.954 29.700 0.133 0.000 0.799 43 E HN 0.305 nan 8.360 nan 0.000 0.518 44 Y N 3.052 123.388 120.300 0.060 0.000 2.746 44 Y HA 0.104 4.654 4.550 0.000 0.000 0.312 44 Y C 0.162 176.305 175.900 0.404 0.000 1.117 44 Y CA -1.647 56.600 58.100 0.245 0.000 1.324 44 Y CB -0.304 38.338 38.460 0.304 0.000 1.173 44 Y HN 0.065 nan 8.280 nan 0.000 0.529 45 D N 0.019 120.611 120.400 0.321 0.000 2.400 45 D HA 0.051 4.691 4.640 0.000 0.000 0.238 45 D C -0.189 176.368 176.300 0.428 0.000 1.157 45 D CA 0.333 54.462 54.000 0.215 0.000 0.889 45 D CB 1.091 41.939 40.800 0.079 0.000 1.199 45 D HN 0.346 nan 8.370 nan 0.000 0.436 46 Y N -2.146 118.243 120.300 0.148 0.000 2.744 46 Y HA 0.609 5.159 4.550 0.000 0.000 0.330 46 Y C -1.742 174.137 175.900 -0.035 0.000 1.263 46 Y CA -1.463 56.746 58.100 0.181 0.000 1.065 46 Y CB 0.932 39.493 38.460 0.167 0.000 1.306 46 Y HN 0.297 nan 8.280 nan 0.000 0.459 47 Y N -0.051 120.400 120.300 0.251 0.000 2.562 47 Y HA 0.743 5.293 4.550 0.000 0.000 0.343 47 Y C -0.876 175.084 175.900 0.100 0.000 1.025 47 Y CA -1.341 56.806 58.100 0.078 0.000 1.082 47 Y CB 2.554 41.044 38.460 0.049 0.000 1.264 47 Y HN 0.500 nan 8.280 nan 0.000 0.478 48 V N 3.708 123.703 119.914 0.135 0.000 2.577 48 V HA 0.395 4.515 4.120 0.000 0.000 0.303 48 V C -0.792 175.316 176.094 0.024 0.000 1.042 48 V CA -0.912 61.395 62.300 0.011 0.000 0.872 48 V CB 1.711 33.371 31.823 -0.271 0.000 0.998 48 V HN 0.533 nan 8.190 nan 0.000 0.423 49 L N 3.922 125.137 121.223 -0.014 0.000 2.296 49 L HA 0.503 4.843 4.340 0.000 0.000 0.286 49 L C 0.950 177.787 176.870 -0.055 0.000 1.023 49 L CA -0.103 54.720 54.840 -0.029 0.000 0.812 49 L CB 2.001 44.017 42.059 -0.072 0.000 1.223 49 L HN 0.851 nan 8.230 nan 0.000 0.421 50 S N 1.201 116.885 115.700 -0.027 0.000 2.549 50 S HA 0.237 4.707 4.470 0.000 0.000 0.225 50 S C 0.737 175.343 174.600 0.010 0.000 1.039 50 S CA -0.546 57.633 58.200 -0.034 0.000 0.942 50 S CB 0.347 63.540 63.200 -0.013 0.000 0.881 50 S HN 0.529 nan 8.310 nan 0.000 0.503 51 R N 1.163 121.679 120.500 0.028 0.000 2.459 51 R HA 0.350 4.690 4.340 0.000 0.000 0.281 51 R C 1.140 177.492 176.300 0.086 0.000 1.050 51 R CA -0.491 55.645 56.100 0.060 0.000 1.055 51 R CB 0.350 30.678 30.300 0.047 0.000 1.045 51 R HN 0.286 nan 8.270 nan 0.000 0.495 52 H N 2.424 121.508 119.070 0.023 0.000 2.319 52 H HA -0.174 4.382 4.556 0.001 0.000 0.299 52 H C 1.465 176.828 175.328 0.058 0.000 1.092 52 H CA 2.472 58.540 56.048 0.033 0.000 1.302 52 H CB 0.323 30.041 29.762 -0.072 0.000 1.373 52 H HN 0.748 nan 8.280 nan 0.000 0.497 53 A N 0.960 123.863 122.820 0.139 0.000 1.902 53 A HA -0.173 4.148 4.320 0.000 0.000 0.217 53 A C 2.193 179.834 177.584 0.096 0.000 1.181 53 A CA 1.842 53.950 52.037 0.118 0.000 0.623 53 A CB -0.320 18.730 19.000 0.083 0.000 0.818 53 A HN 0.486 nan 8.150 nan 0.000 0.443 54 D N -0.408 120.024 120.400 0.052 0.000 2.123 54 D HA -0.060 4.580 4.640 0.000 0.000 0.200 54 D C 2.098 178.379 176.300 -0.032 0.000 0.976 54 D CA 1.335 55.344 54.000 0.015 0.000 0.831 54 D CB -0.423 40.378 40.800 0.001 0.000 0.974 54 D HN 0.227 nan 8.370 nan 0.000 0.469 55 V N 0.936 120.839 119.914 -0.019 0.000 2.358 55 V HA -0.177 3.943 4.120 0.000 0.000 0.246 55 V C 2.193 178.319 176.094 0.053 0.000 1.047 55 V CA 1.140 63.428 62.300 -0.021 0.000 1.035 55 V CB -0.429 31.411 31.823 0.028 0.000 0.658 55 V HN 0.380 nan 8.190 nan 0.000 0.452 56 W N 0.579 121.772 121.300 -0.178 0.000 2.333 56 W HA -0.262 4.399 4.660 0.001 0.000 0.316 56 W C 2.844 179.385 176.519 0.036 0.000 1.215 56 W CA 2.252 59.515 57.345 -0.136 0.000 1.278 56 W CB -0.344 28.932 29.460 -0.307 0.000 1.154 56 W HN 0.365 nan 8.180 nan 0.000 0.486 57 S N 0.566 116.356 115.700 0.149 0.000 2.353 57 S HA -0.196 4.274 4.470 0.000 0.000 0.222 57 S C 2.092 176.677 174.600 -0.025 0.000 1.035 57 S CA 2.293 60.536 58.200 0.072 0.000 1.025 57 S CB -0.757 62.504 63.200 0.102 0.000 0.902 57 S HN 0.285 nan 8.310 nan 0.000 0.440 58 A N 1.430 124.153 122.820 -0.161 0.000 1.902 58 A HA 0.155 4.475 4.320 0.000 0.000 0.217 58 A C 2.483 179.919 177.584 -0.246 0.000 1.181 58 A CA 1.995 53.737 52.037 -0.492 0.000 0.623 58 A CB -1.444 16.895 19.000 -1.101 0.000 0.818 58 A HN 0.798 nan 8.150 nan 0.000 0.443 59 A N -0.113 122.632 122.820 -0.125 0.000 1.908 59 A HA -0.196 4.124 4.320 0.000 0.000 0.218 59 A C 2.191 179.741 177.584 -0.057 0.000 1.181 59 A CA 2.251 54.278 52.037 -0.018 0.000 0.627 59 A CB -0.443 18.598 19.000 0.068 0.000 0.818 59 A HN 0.503 nan 8.150 nan 0.000 0.445 60 R N 0.509 120.924 120.500 -0.142 0.000 2.092 60 R HA -0.093 4.248 4.340 0.000 0.000 0.231 60 R C 0.126 176.379 176.300 -0.079 0.000 1.119 60 R CA 1.446 57.414 56.100 -0.220 0.000 0.970 60 R CB -0.411 29.722 30.300 -0.279 0.000 0.864 60 R HN 0.360 nan 8.270 nan 0.000 0.440 61 D N 0.586 120.983 120.400 -0.006 0.000 2.558 61 D HA -0.017 4.623 4.640 0.000 0.000 0.221 61 D C 0.439 176.770 176.300 0.052 0.000 1.143 61 D CA -0.184 53.813 54.000 -0.005 0.000 1.010 61 D CB -0.071 40.817 40.800 0.148 0.000 1.068 61 D HN 0.503 nan 8.370 nan 0.000 0.511 62 H N 0.602 119.714 119.070 0.070 0.000 2.491 62 H HA -0.064 4.492 4.556 0.000 0.000 0.290 62 H C 1.647 176.999 175.328 0.039 0.000 1.050 62 H CA 1.105 57.194 56.048 0.068 0.000 1.309 62 H CB -0.063 29.714 29.762 0.025 0.000 1.392 62 H HN 0.230 nan 8.280 nan 0.000 0.554 63 Q N 0.856 120.500 119.800 -0.260 0.000 2.084 63 Q HA -0.083 4.258 4.340 0.000 0.000 0.202 63 Q C 1.980 177.914 176.000 -0.110 0.000 0.978 63 Q CA 2.432 58.165 55.803 -0.117 0.000 0.844 63 Q CB -0.250 28.378 28.738 -0.184 0.000 0.898 63 Q HN 0.590 nan 8.270 nan 0.000 0.426 64 T N -0.767 113.682 114.554 -0.174 0.000 2.976 64 T HA 0.099 4.449 4.350 0.000 0.000 0.257 64 T C -0.365 174.023 174.700 -0.521 0.000 1.051 64 T CA 0.501 62.365 62.100 -0.394 0.000 1.141 64 T CB 0.048 68.583 68.868 -0.555 0.000 0.881 64 T HN 0.061 nan 8.240 nan 0.000 0.461 65 F N 2.139 122.073 119.950 -0.028 0.000 2.307 65 F HA 0.518 5.045 4.527 0.001 0.000 0.369 65 F C 0.471 176.275 175.800 0.007 0.000 1.076 65 F CA -1.022 56.970 58.000 -0.013 0.000 1.149 65 F CB 0.864 39.855 39.000 -0.015 0.000 1.410 65 F HN -0.078 nan 8.300 nan 0.000 0.481 66 S N 0.906 116.671 115.700 0.109 0.000 2.584 66 S HA 0.263 4.733 4.470 0.000 0.000 0.273 66 S C 1.024 175.647 174.600 0.039 0.000 1.311 66 S CA -0.463 57.782 58.200 0.075 0.000 1.034 66 S CB 1.067 64.287 63.200 0.033 0.000 0.939 66 S HN 0.511 nan 8.310 nan 0.000 0.513 67 S N 3.189 118.890 115.700 0.001 0.000 2.556 67 S HA 0.208 4.678 4.470 0.000 0.000 0.216 67 S C 1.623 176.181 174.600 -0.070 0.000 0.970 67 S CA 0.230 58.378 58.200 -0.086 0.000 0.912 67 S CB 0.105 63.156 63.200 -0.247 0.000 0.790 67 S HN 0.809 nan 8.310 nan 0.000 0.504 68 A N 0.827 123.629 122.820 -0.030 0.000 2.167 68 A HA 0.049 4.370 4.320 0.000 0.000 0.214 68 A C 1.789 179.350 177.584 -0.039 0.000 1.151 68 A CA 0.684 52.702 52.037 -0.032 0.000 0.735 68 A CB -0.026 18.963 19.000 -0.017 0.000 0.802 68 A HN 0.266 nan 8.150 nan 0.000 0.467 69 Q N -0.707 119.074 119.800 -0.032 0.000 2.282 69 Q HA 0.350 4.690 4.340 0.000 0.000 0.206 69 Q C 0.734 176.702 176.000 -0.052 0.000 0.878 69 Q CA 0.732 56.522 55.803 -0.022 0.000 0.944 69 Q CB 0.419 29.159 28.738 0.002 0.000 1.100 69 Q HN 0.769 nan 8.270 nan 0.000 0.509 70 G N -0.001 108.751 108.800 -0.080 0.000 2.381 70 G HA2 -0.100 3.861 3.960 0.000 0.000 0.672 70 G HA3 -0.100 3.861 3.960 0.000 0.000 0.672 70 G C -0.571 174.237 174.900 -0.154 0.000 1.324 70 G CA -0.754 44.278 45.100 -0.114 0.000 0.975 70 G HN 0.106 nan 8.290 nan 0.000 0.593 71 L N 0.667 121.770 121.223 -0.200 0.000 3.016 71 L HA 0.322 4.662 4.340 0.000 0.000 0.267 71 L C 1.505 178.145 176.870 -0.383 0.000 1.182 71 L CA 0.520 55.213 54.840 -0.245 0.000 0.997 71 L CB 0.492 42.416 42.059 -0.226 0.000 1.354 71 L HN 0.931 nan 8.230 nan 0.000 0.569 72 T N -3.285 111.037 114.554 -0.387 0.000 2.938 72 T HA 0.308 4.658 4.350 0.000 0.000 0.285 72 T C 1.005 175.537 174.700 -0.279 0.000 1.028 72 T CA -0.186 61.645 62.100 -0.449 0.000 1.005 72 T CB 1.953 70.605 68.868 -0.359 0.000 1.157 72 T HN -0.114 nan 8.240 nan 0.000 0.550 73 V N -1.330 118.468 119.914 -0.194 0.000 3.573 73 V HA 0.274 4.394 4.120 0.000 0.000 0.270 73 V C 0.768 176.621 176.094 -0.402 0.000 1.221 73 V CA -0.059 61.980 62.300 -0.436 0.000 1.163 73 V CB -1.349 29.958 31.823 -0.861 0.000 0.847 73 V HN 0.815 nan 8.190 nan 0.000 0.468 74 N N 0.560 119.135 118.700 -0.209 0.000 2.408 74 N HA 0.178 4.918 4.740 0.000 0.000 0.257 74 N C 0.383 175.776 175.510 -0.195 0.000 1.064 74 N CA -0.192 52.833 53.050 -0.042 0.000 0.952 74 N CB 0.878 39.425 38.487 0.099 0.000 1.093 74 N HN 0.412 nan 8.380 nan 0.000 0.490 75 Y N 1.574 121.727 120.300 -0.245 0.000 2.483 75 Y HA 0.014 4.564 4.550 0.000 0.000 0.291 75 Y C 2.179 178.018 175.900 -0.102 0.000 1.143 75 Y CA 1.045 58.964 58.100 -0.301 0.000 1.289 75 Y CB 0.193 38.262 38.460 -0.651 0.000 0.983 75 Y HN 0.653 nan 8.280 nan 0.000 0.556 76 G N -0.800 108.087 108.800 0.145 0.000 3.233 76 G HA2 -0.042 3.918 3.960 0.000 0.000 0.227 76 G HA3 -0.042 3.918 3.960 0.000 0.000 0.227 76 G C 1.260 176.206 174.900 0.076 0.000 1.175 76 G CA 0.039 45.219 45.100 0.134 0.000 0.781 76 G HN 0.409 nan 8.290 nan 0.000 0.542 77 E N 0.315 120.536 120.200 0.035 0.000 2.048 77 E HA -0.193 4.157 4.350 0.000 0.000 0.202 77 E C 2.135 178.743 176.600 0.013 0.000 1.021 77 E CA 1.034 57.436 56.400 0.003 0.000 0.825 77 E CB -0.162 29.505 29.700 -0.055 0.000 0.756 77 E HN 0.447 nan 8.360 nan 0.000 0.454 78 L N 0.586 121.829 121.223 0.033 0.000 2.046 78 L HA -0.164 4.176 4.340 0.000 0.000 0.208 78 L C 2.688 179.601 176.870 0.071 0.000 1.077 78 L CA 0.982 55.857 54.840 0.059 0.000 0.747 78 L CB -0.404 41.724 42.059 0.115 0.000 0.896 78 L HN 0.168 nan 8.230 nan 0.000 0.432 79 E N -0.315 119.921 120.200 0.061 0.000 2.150 79 E HA -0.213 4.137 4.350 0.000 0.000 0.193 79 E C 2.100 178.714 176.600 0.023 0.000 0.985 79 E CA 0.981 57.399 56.400 0.029 0.000 0.814 79 E CB -0.132 29.564 29.700 -0.008 0.000 0.752 79 E HN 0.454 nan 8.360 nan 0.000 0.466 80 M N 0.670 120.287 119.600 0.027 0.000 2.159 80 M HA -0.118 4.362 4.480 0.000 0.000 0.263 80 M C 2.151 178.454 176.300 0.005 0.000 1.063 80 M CA 1.366 56.679 55.300 0.021 0.000 1.110 80 M CB -0.025 32.594 32.600 0.032 0.000 1.374 80 M HN 0.113 nan 8.290 nan 0.000 0.411 81 I N -4.018 116.551 120.570 -0.001 0.000 3.228 81 I HA 0.316 4.487 4.170 0.000 0.000 0.279 81 I C 1.160 177.264 176.117 -0.023 0.000 1.221 81 I CA 0.765 62.052 61.300 -0.023 0.000 1.458 81 I CB -0.305 37.673 38.000 -0.036 0.000 1.105 81 I HN 0.421 nan 8.210 nan 0.000 0.445 82 G N 2.543 111.344 108.800 0.002 0.000 2.165 82 G HA2 -0.199 3.761 3.960 0.000 0.000 0.226 82 G HA3 -0.199 3.761 3.960 0.000 0.000 0.226 82 G C 0.139 175.051 174.900 0.021 0.000 1.035 82 G CA 0.237 45.344 45.100 0.012 0.000 0.744 82 G HN 0.429 nan 8.290 nan 0.000 0.501 83 L N -0.417 120.824 121.223 0.030 0.000 3.168 83 L HA 0.316 4.656 4.340 0.000 0.000 0.277 83 L C 1.717 178.608 176.870 0.035 0.000 1.245 83 L CA 0.027 54.880 54.840 0.021 0.000 1.035 83 L CB 0.039 42.093 42.059 -0.008 0.000 1.399 83 L HN 0.377 nan 8.230 nan 0.000 0.580 84 H N 0.586 119.649 119.070 -0.010 0.000 2.357 84 H HA -0.159 4.397 4.556 0.000 0.000 0.301 84 H C 1.584 176.909 175.328 -0.005 0.000 1.082 84 H CA 2.139 58.183 56.048 -0.007 0.000 1.342 84 H CB 0.461 30.222 29.762 -0.001 0.000 1.389 84 H HN 0.227 nan 8.280 nan 0.000 0.511 85 D N 0.066 120.503 120.400 0.062 0.000 2.103 85 D HA -0.094 4.546 4.640 0.000 0.000 0.190 85 D C 0.912 177.169 176.300 -0.072 0.000 0.997 85 D CA 2.252 56.261 54.000 0.015 0.000 0.833 85 D CB -0.523 40.310 40.800 0.055 0.000 0.961 85 D HN 0.677 nan 8.370 nan 0.000 0.447 86 T N 0.851 115.374 114.554 -0.053 0.000 3.068 86 T HA 0.509 4.859 4.350 0.000 0.000 0.364 86 T C -2.667 171.996 174.700 -0.063 0.000 1.161 86 T CA -1.552 60.510 62.100 -0.064 0.000 1.155 86 T CB 1.007 69.850 68.868 -0.042 0.000 1.060 86 T HN -0.274 nan 8.240 nan 0.000 0.513 87 P HA 0.292 nan 4.420 nan 0.000 0.269 87 P C -2.300 174.968 177.300 -0.054 0.000 1.215 87 P CA -0.871 62.192 63.100 -0.061 0.000 0.780 87 P CB 0.310 31.967 31.700 -0.072 0.000 0.898 88 P HA 0.029 nan 4.420 nan 0.000 0.274 88 P C 0.907 178.210 177.300 0.005 0.000 1.260 88 P CA -0.138 62.951 63.100 -0.018 0.000 0.793 88 P CB 0.384 32.100 31.700 0.027 0.000 1.048 89 M N -0.140 119.486 119.600 0.044 0.000 2.213 89 M HA -0.109 4.372 4.480 0.000 0.000 0.263 89 M C 0.985 177.465 176.300 0.300 0.000 1.062 89 M CA 2.167 57.564 55.300 0.160 0.000 1.105 89 M CB -1.319 31.430 32.600 0.248 0.000 1.385 89 M HN -0.075 nan 8.290 nan 0.000 0.417 90 V N 0.309 120.330 119.914 0.178 0.000 3.141 90 V HA -0.054 4.066 4.120 0.000 0.000 0.265 90 V C 1.789 177.810 176.094 -0.123 0.000 1.126 90 V CA 1.156 63.490 62.300 0.057 0.000 1.141 90 V CB -0.967 30.854 31.823 -0.004 0.000 0.743 90 V HN 0.610 nan 8.190 nan 0.000 0.492 91 M N -0.159 119.426 119.600 -0.026 0.000 2.673 91 M HA 0.312 4.792 4.480 0.000 0.000 0.334 91 M C -0.027 176.267 176.300 -0.010 0.000 1.211 91 M CA 0.268 55.531 55.300 -0.062 0.000 0.962 91 M CB 0.529 33.091 32.600 -0.063 0.000 1.343 91 M HN 0.317 nan 8.290 nan 0.000 0.511 92 Q N 0.418 120.267 119.800 0.080 0.000 2.309 92 Q HA 0.344 4.684 4.340 0.000 0.000 0.264 92 Q C -1.030 175.041 176.000 0.118 0.000 1.008 92 Q CA -0.740 55.124 55.803 0.102 0.000 0.853 92 Q CB 2.196 31.021 28.738 0.145 0.000 1.314 92 Q HN 0.076 nan 8.270 nan 0.000 0.448 93 D N 2.025 122.460 120.400 0.059 0.000 2.277 93 D HA 0.352 4.993 4.640 0.000 0.000 0.250 93 D C -2.380 173.914 176.300 -0.010 0.000 1.032 93 D CA -1.815 52.193 54.000 0.013 0.000 0.947 93 D CB 0.991 41.811 40.800 0.034 0.000 1.159 93 D HN 0.160 nan 8.370 nan 0.000 0.460 94 P HA 0.112 nan 4.420 nan 0.000 0.269 94 P C -1.703 175.582 177.300 -0.025 0.000 1.209 94 P CA -0.789 62.254 63.100 -0.096 0.000 0.776 94 P CB 0.231 31.763 31.700 -0.280 0.000 0.876 95 P HA -0.008 nan 4.420 nan 0.000 0.235 95 P C 1.213 178.517 177.300 0.007 0.000 1.177 95 P CA 0.482 63.579 63.100 -0.005 0.000 0.785 95 P CB 0.089 31.789 31.700 -0.001 0.000 0.885 96 V N 0.932 120.857 119.914 0.018 0.000 2.282 96 V HA -0.287 3.833 4.120 0.000 0.000 0.249 96 V C 2.709 178.829 176.094 0.044 0.000 1.057 96 V CA 2.523 64.836 62.300 0.023 0.000 1.032 96 V CB -1.664 30.168 31.823 0.015 0.000 0.645 96 V HN 0.256 nan 8.190 nan 0.000 0.447 97 H N 0.302 119.346 119.070 -0.043 0.000 2.421 97 H HA -0.134 4.422 4.556 0.000 0.000 0.298 97 H C 2.239 177.545 175.328 -0.036 0.000 1.087 97 H CA 2.144 58.166 56.048 -0.044 0.000 1.330 97 H CB -0.192 29.500 29.762 -0.117 0.000 1.388 97 H HN 0.443 nan 8.280 nan 0.000 0.526 98 T N -0.104 114.393 114.554 -0.095 0.000 2.737 98 T HA -0.168 4.182 4.350 0.000 0.000 0.265 98 T C 1.816 176.430 174.700 -0.143 0.000 1.038 98 T CA 1.514 63.529 62.100 -0.142 0.000 1.144 98 T CB -0.236 68.594 68.868 -0.063 0.000 0.866 98 T HN 0.367 nan 8.240 nan 0.000 0.434 99 E N 0.864 121.020 120.200 -0.073 0.000 2.047 99 E HA -0.074 4.276 4.350 0.000 0.000 0.191 99 E C 1.794 178.353 176.600 -0.068 0.000 0.987 99 E CA 1.031 57.396 56.400 -0.058 0.000 0.799 99 E CB -0.611 29.077 29.700 -0.019 0.000 0.752 99 E HN 0.469 nan 8.360 nan 0.000 0.449 100 F N 0.990 120.831 119.950 -0.182 0.000 2.134 100 F HA -0.129 4.398 4.527 0.000 0.000 0.299 100 F C 2.469 178.110 175.800 -0.265 0.000 1.097 100 F CA 2.027 59.907 58.000 -0.200 0.000 1.264 100 F CB -0.197 38.700 39.000 -0.171 0.000 1.001 100 F HN 0.001 nan 8.300 nan 0.000 0.479 101 R N 0.916 121.285 120.500 -0.217 0.000 2.096 101 R HA -0.190 4.150 4.340 0.000 0.000 0.235 101 R C 2.360 178.495 176.300 -0.275 0.000 1.127 101 R CA 1.886 57.794 56.100 -0.319 0.000 0.968 101 R CB -0.508 29.474 30.300 -0.531 0.000 0.861 101 R HN 0.285 nan 8.270 nan 0.000 0.440 102 K N 0.275 120.536 120.400 -0.233 0.000 2.057 102 K HA -0.135 4.185 4.320 0.000 0.000 0.207 102 K C 1.966 178.435 176.600 -0.219 0.000 1.049 102 K CA 1.704 57.880 56.287 -0.185 0.000 0.931 102 K CB -0.116 32.300 32.500 -0.140 0.000 0.714 102 K HN 0.261 nan 8.250 nan 0.000 0.440 103 L N 0.245 121.296 121.223 -0.287 0.000 2.027 103 L HA -0.151 4.189 4.340 0.000 0.000 0.206 103 L C 2.472 179.124 176.870 -0.364 0.000 1.074 103 L CA 0.816 55.465 54.840 -0.318 0.000 0.745 103 L CB -0.447 41.394 42.059 -0.364 0.000 0.898 103 L HN 0.065 nan 8.230 nan 0.000 0.433 104 V N -0.071 119.531 119.914 -0.520 0.000 2.667 104 V HA -0.194 3.926 4.120 0.000 0.000 0.252 104 V C 2.628 178.698 176.094 -0.040 0.000 1.065 104 V CA 1.750 63.786 62.300 -0.440 0.000 1.083 104 V CB -0.001 31.315 31.823 -0.845 0.000 0.692 104 V HN 0.649 nan 8.190 nan 0.000 0.468 105 S N -0.070 115.589 115.700 -0.070 0.000 2.474 105 S HA -0.190 4.280 4.470 0.000 0.000 0.235 105 S C 1.894 176.513 174.600 0.032 0.000 0.997 105 S CA 0.994 59.242 58.200 0.079 0.000 0.949 105 S CB -0.602 62.573 63.200 -0.042 0.000 0.766 105 S HN 0.665 nan 8.310 nan 0.000 0.517 106 R N 0.906 121.300 120.500 -0.177 0.000 2.193 106 R HA 0.012 4.353 4.340 0.000 0.000 0.229 106 R C 2.112 178.171 176.300 -0.401 0.000 1.110 106 R CA 1.069 56.907 56.100 -0.438 0.000 0.988 106 R CB -0.601 29.172 30.300 -0.878 0.000 0.871 106 R HN 0.582 nan 8.270 nan 0.000 0.458 107 G N -0.718 107.995 108.800 -0.146 0.000 3.284 107 G HA2 0.038 3.998 3.960 0.000 0.000 0.236 107 G HA3 0.038 3.998 3.960 0.000 0.000 0.236 107 G C -0.080 174.653 174.900 -0.279 0.000 1.158 107 G CA -0.272 44.752 45.100 -0.127 0.000 0.774 107 G HN 0.099 nan 8.290 nan 0.000 0.545 108 F N 1.906 121.912 119.950 0.094 0.000 2.531 108 F HA 0.349 4.876 4.527 0.000 0.000 0.333 108 F C 0.608 176.462 175.800 0.091 0.000 1.292 108 F CA -0.829 57.274 58.000 0.173 0.000 1.184 108 F CB 1.045 40.107 39.000 0.104 0.000 1.426 108 F HN 0.022 nan 8.300 nan 0.000 0.559 109 T N -2.993 111.668 114.554 0.179 0.000 2.910 109 T HA 0.458 4.808 4.350 0.000 0.000 0.287 109 T C -2.290 172.478 174.700 0.112 0.000 1.050 109 T CA -2.399 59.769 62.100 0.114 0.000 1.011 109 T CB 2.210 71.108 68.868 0.049 0.000 1.195 109 T HN -0.164 nan 8.240 nan 0.000 0.540 110 P HA -0.044 nan 4.420 nan 0.000 0.218 110 P C 1.644 178.983 177.300 0.065 0.000 1.148 110 P CA 0.802 63.948 63.100 0.077 0.000 0.822 110 P CB 0.020 31.753 31.700 0.055 0.000 0.784 111 R N 0.147 120.676 120.500 0.048 0.000 2.096 111 R HA -0.216 4.124 4.340 0.000 0.000 0.240 111 R C 2.042 178.363 176.300 0.034 0.000 1.139 111 R CA 1.653 57.773 56.100 0.034 0.000 0.952 111 R CB -0.492 29.822 30.300 0.023 0.000 0.854 111 R HN 0.139 nan 8.270 nan 0.000 0.436 112 Q N 0.055 119.866 119.800 0.019 0.000 2.167 112 Q HA -0.103 4.237 4.340 0.000 0.000 0.202 112 Q C 2.254 178.282 176.000 0.047 0.000 0.970 112 Q CA 1.678 57.455 55.803 -0.043 0.000 0.855 112 Q CB -0.313 28.271 28.738 -0.256 0.000 0.911 112 Q HN 0.499 nan 8.270 nan 0.000 0.438 113 V N -1.872 118.122 119.914 0.134 0.000 2.488 113 V HA -0.111 4.009 4.120 0.000 0.000 0.246 113 V C 1.814 177.946 176.094 0.063 0.000 1.046 113 V CA 1.380 63.779 62.300 0.165 0.000 1.053 113 V CB -0.586 31.354 31.823 0.195 0.000 0.679 113 V HN 0.131 nan 8.190 nan 0.000 0.458 114 E N 1.547 121.777 120.200 0.049 0.000 2.106 114 E HA -0.137 4.213 4.350 0.000 0.000 0.192 114 E C 2.395 178.994 176.600 -0.002 0.000 0.984 114 E CA 1.875 58.290 56.400 0.026 0.000 0.806 114 E CB -0.361 29.358 29.700 0.031 0.000 0.750 114 E HN 0.887 nan 8.360 nan 0.000 0.458 115 T N -1.188 113.363 114.554 -0.005 0.000 2.915 115 T HA -0.069 4.282 4.350 0.000 0.000 0.269 115 T C 1.916 176.545 174.700 -0.119 0.000 1.071 115 T CA 0.711 62.801 62.100 -0.016 0.000 1.132 115 T CB -0.057 68.849 68.868 0.064 0.000 0.878 115 T HN 0.034 nan 8.240 nan 0.000 0.479 116 V N 0.905 120.646 119.914 -0.288 0.000 3.506 116 V HA 0.164 4.284 4.120 0.000 0.000 0.263 116 V C 2.395 178.408 176.094 -0.134 0.000 1.203 116 V CA 0.941 63.002 62.300 -0.399 0.000 1.133 116 V CB -0.162 31.135 31.823 -0.878 0.000 0.802 116 V HN 0.589 nan 8.190 nan 0.000 0.459 117 E N 0.865 121.027 120.200 -0.063 0.000 2.085 117 E HA -0.191 4.159 4.350 0.000 0.000 0.194 117 E C -0.440 176.169 176.600 0.016 0.000 0.994 117 E CA 1.710 58.108 56.400 -0.004 0.000 0.801 117 E CB -0.593 29.116 29.700 0.015 0.000 0.743 117 E HN 0.524 nan 8.360 nan 0.000 0.453 118 P HA -0.092 nan 4.420 nan 0.000 0.218 118 P C 1.100 178.430 177.300 0.050 0.000 1.149 118 P CA 1.540 64.657 63.100 0.028 0.000 0.817 118 P CB -0.016 31.695 31.700 0.018 0.000 0.785 119 T N -0.818 113.767 114.554 0.051 0.000 2.746 119 T HA -0.098 4.253 4.350 0.000 0.000 0.267 119 T C 1.845 176.629 174.700 0.141 0.000 1.039 119 T CA 1.185 63.347 62.100 0.103 0.000 1.142 119 T CB -1.026 67.923 68.868 0.136 0.000 0.866 119 T HN -0.118 nan 8.240 nan 0.000 0.444 120 V N 1.426 121.400 119.914 0.100 0.000 2.255 120 V HA -0.209 3.912 4.120 0.000 0.000 0.247 120 V C 2.640 178.828 176.094 0.156 0.000 1.051 120 V CA 1.880 64.257 62.300 0.129 0.000 1.018 120 V CB -0.585 31.285 31.823 0.078 0.000 0.641 120 V HN 0.355 nan 8.190 nan 0.000 0.445 121 R N 0.061 120.623 120.500 0.103 0.000 2.083 121 R HA -0.229 4.111 4.340 0.000 0.000 0.237 121 R C 2.460 178.815 176.300 0.091 0.000 1.137 121 R CA 2.146 58.296 56.100 0.084 0.000 0.951 121 R CB -0.277 30.057 30.300 0.057 0.000 0.851 121 R HN 0.483 nan 8.270 nan 0.000 0.434 122 K N -0.566 119.898 120.400 0.106 0.000 2.063 122 K HA -0.204 4.116 4.320 0.000 0.000 0.208 122 K C 1.919 178.600 176.600 0.136 0.000 1.048 122 K CA 1.718 58.066 56.287 0.102 0.000 0.928 122 K CB -0.264 32.297 32.500 0.103 0.000 0.713 122 K HN 0.134 nan 8.250 nan 0.000 0.442 123 F N 0.904 120.881 119.950 0.044 0.000 2.113 123 F HA -0.161 4.366 4.527 0.000 0.000 0.297 123 F C 1.832 177.650 175.800 0.029 0.000 1.103 123 F CA 1.040 59.067 58.000 0.045 0.000 1.248 123 F CB -0.341 38.699 39.000 0.067 0.000 0.999 123 F HN -0.208 nan 8.300 nan 0.000 0.475 124 V N -0.304 119.641 119.914 0.052 0.000 2.287 124 V HA -0.331 3.789 4.120 0.000 0.000 0.248 124 V C 2.424 178.455 176.094 -0.105 0.000 1.053 124 V CA 1.834 64.107 62.300 -0.045 0.000 1.027 124 V CB -0.897 30.961 31.823 0.058 0.000 0.646 124 V HN 0.269 nan 8.190 nan 0.000 0.447 125 V N -0.185 119.699 119.914 -0.049 0.000 2.295 125 V HA -0.282 3.838 4.120 0.000 0.000 0.246 125 V C 2.554 178.597 176.094 -0.086 0.000 1.049 125 V CA 2.319 64.591 62.300 -0.046 0.000 1.024 125 V CB -0.608 31.210 31.823 -0.009 0.000 0.648 125 V HN 0.671 nan 8.190 nan 0.000 0.447 126 E N 0.185 120.317 120.200 -0.113 0.000 2.070 126 E HA -0.276 4.075 4.350 0.000 0.000 0.197 126 E C 2.445 178.926 176.600 -0.199 0.000 1.004 126 E CA 1.464 57.783 56.400 -0.135 0.000 0.805 126 E CB -0.017 29.607 29.700 -0.128 0.000 0.744 126 E HN 0.371 nan 8.360 nan 0.000 0.451 127 R N 0.259 120.553 120.500 -0.343 0.000 2.090 127 R HA -0.002 4.338 4.340 0.000 0.000 0.228 127 R C 2.578 178.753 176.300 -0.209 0.000 1.110 127 R CA 0.551 56.444 56.100 -0.344 0.000 0.973 127 R CB -0.986 28.985 30.300 -0.548 0.000 0.869 127 R HN 0.322 nan 8.270 nan 0.000 0.440 128 L N 0.890 122.010 121.223 -0.171 0.000 2.093 128 L HA -0.122 4.218 4.340 0.000 0.000 0.208 128 L C 2.301 179.149 176.870 -0.037 0.000 1.085 128 L CA 1.093 55.880 54.840 -0.089 0.000 0.755 128 L CB -0.317 41.704 42.059 -0.064 0.000 0.904 128 L HN 0.085 nan 8.230 nan 0.000 0.435 129 E N 0.288 120.458 120.200 -0.051 0.000 2.077 129 E HA -0.250 4.101 4.350 0.000 0.000 0.193 129 E C 2.050 178.632 176.600 -0.030 0.000 0.989 129 E CA 1.113 57.495 56.400 -0.029 0.000 0.800 129 E CB -0.070 29.612 29.700 -0.030 0.000 0.746 129 E HN 0.365 nan 8.360 nan 0.000 0.452 130 K N 0.568 120.938 120.400 -0.051 0.000 2.026 130 K HA -0.100 4.221 4.320 0.000 0.000 0.208 130 K C 2.357 178.942 176.600 -0.025 0.000 1.048 130 K CA 0.839 57.099 56.287 -0.044 0.000 0.929 130 K CB -0.135 32.326 32.500 -0.065 0.000 0.713 130 K HN 0.019 nan 8.250 nan 0.000 0.439 131 L N 0.621 121.835 121.223 -0.016 0.000 2.012 131 L HA -0.206 4.134 4.340 0.000 0.000 0.210 131 L C 2.857 179.748 176.870 0.035 0.000 1.073 131 L CA 1.452 56.317 54.840 0.041 0.000 0.748 131 L CB -0.482 41.656 42.059 0.131 0.000 0.891 131 L HN 0.257 nan 8.230 nan 0.000 0.431 132 R N 0.260 120.779 120.500 0.033 0.000 2.083 132 R HA -0.216 4.124 4.340 0.000 0.000 0.237 132 R C 2.287 178.581 176.300 -0.010 0.000 1.137 132 R CA 1.697 57.803 56.100 0.011 0.000 0.951 132 R CB -0.328 29.983 30.300 0.019 0.000 0.851 132 R HN 0.374 nan 8.270 nan 0.000 0.434 133 A N 1.150 123.964 122.820 -0.009 0.000 1.940 133 A HA -0.143 4.177 4.320 0.000 0.000 0.219 133 A C 1.539 179.113 177.584 -0.018 0.000 1.176 133 A CA 1.606 53.635 52.037 -0.013 0.000 0.631 133 A CB -0.366 18.626 19.000 -0.014 0.000 0.814 133 A HN 0.414 nan 8.150 nan 0.000 0.446 134 N N -0.832 117.857 118.700 -0.018 0.000 2.322 134 N HA 0.157 4.897 4.740 0.000 0.000 0.194 134 N C 1.089 176.578 175.510 -0.034 0.000 1.126 134 N CA 0.946 53.983 53.050 -0.022 0.000 0.845 134 N CB 0.287 38.764 38.487 -0.017 0.000 0.976 134 N HN 0.627 nan 8.380 nan 0.000 0.475 135 G N -0.015 108.758 108.800 -0.045 0.000 2.153 135 G HA2 -0.135 3.825 3.960 0.000 0.000 0.252 135 G HA3 -0.135 3.825 3.960 0.000 0.000 0.252 135 G C 0.533 175.359 174.900 -0.124 0.000 0.994 135 G CA 0.735 45.789 45.100 -0.075 0.000 0.698 135 G HN 0.811 nan 8.290 nan 0.000 0.521 136 G N -2.553 106.185 108.800 -0.103 0.000 2.316 136 G HA2 0.624 4.584 3.960 0.000 0.000 0.349 136 G HA3 0.624 4.584 3.960 0.000 0.000 0.349 136 G C 0.590 175.506 174.900 0.027 0.000 1.274 136 G CA 0.889 45.919 45.100 -0.117 0.000 1.018 136 G HN 2.595 nan 8.290 nan 0.000 0.486 137 G N -1.239 107.619 108.800 0.095 0.000 2.332 137 G HA2 0.471 4.431 3.960 0.000 0.000 0.265 137 G HA3 0.471 4.431 3.960 0.000 0.000 0.265 137 G C -1.524 173.417 174.900 0.069 0.000 1.329 137 G CA 0.643 45.779 45.100 0.060 0.000 0.949 137 G HN 1.438 nan 8.290 nan 0.000 0.476 138 D N 0.755 121.151 120.400 -0.008 0.000 2.517 138 D HA 0.252 4.892 4.640 0.000 0.000 0.220 138 D C 1.614 177.820 176.300 -0.155 0.000 1.158 138 D CA -0.355 53.609 54.000 -0.059 0.000 0.992 138 D CB 0.233 41.003 40.800 -0.051 0.000 1.058 138 D HN 0.433 nan 8.370 nan 0.000 0.516 139 I N 2.572 122.984 120.570 -0.264 0.000 2.454 139 I HA -0.239 3.932 4.170 0.000 0.000 0.254 139 I C 1.591 177.312 176.117 -0.660 0.000 1.156 139 I CA 0.713 61.646 61.300 -0.610 0.000 1.433 139 I CB 0.467 37.821 38.000 -1.077 0.000 1.082 139 I HN 0.155 nan 8.210 nan 0.000 0.432 140 V N 0.422 120.120 119.914 -0.360 0.000 2.270 140 V HA -0.270 3.851 4.120 0.000 0.000 0.245 140 V C 2.418 178.457 176.094 -0.091 0.000 1.043 140 V CA 2.498 64.706 62.300 -0.154 0.000 1.014 140 V CB -0.972 30.824 31.823 -0.046 0.000 0.645 140 V HN 0.440 nan 8.190 nan 0.000 0.447 141 T N -0.329 114.173 114.554 -0.086 0.000 2.788 141 T HA -0.184 4.167 4.350 0.000 0.000 0.268 141 T C 1.705 176.386 174.700 -0.031 0.000 1.044 141 T CA 1.639 63.715 62.100 -0.040 0.000 1.139 141 T CB -0.187 68.660 68.868 -0.035 0.000 0.867 141 T HN 0.591 nan 8.240 nan 0.000 0.454 142 E N -0.611 119.536 120.200 -0.088 0.000 2.340 142 E HA 0.178 4.528 4.350 0.000 0.000 0.194 142 E C 1.534 178.084 176.600 -0.084 0.000 0.996 142 E CA 0.314 56.667 56.400 -0.079 0.000 0.869 142 E CB 0.274 29.901 29.700 -0.122 0.000 0.835 142 E HN 0.221 nan 8.360 nan 0.000 0.493 143 L N -1.667 119.475 121.223 -0.135 0.000 2.678 143 L HA 0.165 4.505 4.340 0.000 0.000 0.187 143 L C 1.073 178.055 176.870 0.186 0.000 1.073 143 L CA 0.606 55.416 54.840 -0.051 0.000 0.883 143 L CB -0.128 41.746 42.059 -0.308 0.000 1.501 143 L HN -0.098 nan 8.230 nan 0.000 0.488 144 F N 0.950 120.887 119.950 -0.021 0.000 2.407 144 F HA 0.066 4.593 4.527 0.000 0.000 0.299 144 F C 2.294 178.094 175.800 0.000 0.000 1.097 144 F CA 0.762 58.748 58.000 -0.023 0.000 1.422 144 F CB -0.800 38.153 39.000 -0.078 0.000 1.067 144 F HN 0.134 nan 8.300 nan 0.000 0.539 145 K N 0.153 120.660 120.400 0.179 0.000 2.029 145 K HA -0.024 4.296 4.320 0.000 0.000 0.205 145 K C -0.360 176.291 176.600 0.086 0.000 1.042 145 K CA 0.954 57.301 56.287 0.101 0.000 0.949 145 K CB -1.260 31.275 32.500 0.058 0.000 0.740 145 K HN 0.123 nan 8.250 nan 0.000 0.442 146 P HA -0.151 nan 4.420 nan 0.000 0.219 146 P C 1.557 178.834 177.300 -0.039 0.000 1.150 146 P CA 0.887 64.018 63.100 0.052 0.000 0.814 146 P CB 0.036 31.825 31.700 0.148 0.000 0.787 147 L N 2.106 123.401 121.223 0.119 0.000 1.971 147 L HA -0.069 4.271 4.340 0.000 0.000 0.215 147 L C -0.800 176.047 176.870 -0.038 0.000 1.072 147 L CA 2.921 57.794 54.840 0.054 0.000 0.758 147 L CB -2.487 39.739 42.059 0.277 0.000 0.889 147 L HN -0.001 nan 8.230 nan 0.000 0.433 148 P HA -0.141 nan 4.420 nan 0.000 0.220 148 P C 1.886 179.162 177.300 -0.040 0.000 1.148 148 P CA 1.594 64.691 63.100 -0.006 0.000 0.803 148 P CB -0.109 31.602 31.700 0.017 0.000 0.782 149 S N -0.582 115.081 115.700 -0.063 0.000 2.368 149 S HA -0.138 4.332 4.470 0.000 0.000 0.225 149 S C 1.983 176.481 174.600 -0.170 0.000 1.030 149 S CA 1.312 59.474 58.200 -0.063 0.000 0.999 149 S CB -0.816 62.338 63.200 -0.077 0.000 0.844 149 S HN -0.006 nan 8.310 nan 0.000 0.459 150 M N 0.412 119.795 119.600 -0.362 0.000 2.117 150 M HA -0.064 4.416 4.480 0.000 0.000 0.262 150 M C 2.097 177.969 176.300 -0.712 0.000 1.065 150 M CA 1.257 56.071 55.300 -0.811 0.000 1.114 150 M CB -0.467 31.703 32.600 -0.716 0.000 1.361 150 M HN 0.191 nan 8.290 nan 0.000 0.408 151 V N -0.467 119.276 119.914 -0.286 0.000 2.307 151 V HA -0.196 3.924 4.120 0.000 0.000 0.245 151 V C 2.354 178.526 176.094 0.130 0.000 1.045 151 V CA 1.511 63.790 62.300 -0.035 0.000 1.024 151 V CB -0.607 31.254 31.823 0.063 0.000 0.651 151 V HN 0.274 nan 8.190 nan 0.000 0.449 152 V N 0.470 120.424 119.914 0.068 0.000 2.332 152 V HA -0.304 3.816 4.120 0.000 0.000 0.248 152 V C 2.743 178.882 176.094 0.075 0.000 1.055 152 V CA 2.123 64.505 62.300 0.138 0.000 1.038 152 V CB -1.222 30.698 31.823 0.161 0.000 0.651 152 V HN 0.567 nan 8.190 nan 0.000 0.450 153 A N -0.667 122.074 122.820 -0.132 0.000 1.883 153 A HA -0.327 3.993 4.320 0.000 0.000 0.217 153 A C 2.259 179.727 177.584 -0.195 0.000 1.186 153 A CA 2.179 53.935 52.037 -0.469 0.000 0.624 153 A CB -1.003 17.417 19.000 -0.968 0.000 0.822 153 A HN 0.743 nan 8.150 nan 0.000 0.444 154 H N -2.066 116.849 119.070 -0.258 0.000 2.319 154 H HA -0.213 4.343 4.556 0.000 0.000 0.299 154 H C 1.841 177.101 175.328 -0.113 0.000 1.092 154 H CA 2.322 58.338 56.048 -0.054 0.000 1.302 154 H CB -0.236 29.471 29.762 -0.091 0.000 1.373 154 H HN 0.589 nan 8.280 nan 0.000 0.497 155 Y N 0.449 120.657 120.300 -0.154 0.000 2.497 155 Y HA -0.047 4.503 4.550 0.000 0.000 0.292 155 Y C 2.453 178.252 175.900 -0.169 0.000 1.137 155 Y CA 0.582 58.533 58.100 -0.250 0.000 1.285 155 Y CB 0.166 38.535 38.460 -0.152 0.000 0.991 155 Y HN 0.168 nan 8.280 nan 0.000 0.556 156 L N -1.326 119.916 121.223 0.032 0.000 2.607 156 L HA 0.234 4.574 4.340 0.000 0.000 0.228 156 L C 1.522 178.447 176.870 0.093 0.000 1.123 156 L CA 0.493 55.376 54.840 0.073 0.000 0.890 156 L CB -0.303 41.801 42.059 0.075 0.000 1.103 156 L HN 0.323 nan 8.230 nan 0.000 0.468 157 G N 0.832 109.626 108.800 -0.009 0.000 2.198 157 G HA2 -0.257 3.704 3.960 0.000 0.000 0.260 157 G HA3 -0.257 3.704 3.960 0.000 0.000 0.260 157 G C 0.230 175.197 174.900 0.112 0.000 1.025 157 G CA 0.159 45.266 45.100 0.012 0.000 0.769 157 G HN 0.136 nan 8.290 nan 0.000 0.507 158 V N 1.499 121.500 119.914 0.145 0.000 2.479 158 V HA 0.273 4.393 4.120 0.000 0.000 0.281 158 V C -1.126 175.136 176.094 0.280 0.000 1.031 158 V CA -1.081 61.331 62.300 0.186 0.000 1.038 158 V CB 0.943 32.721 31.823 -0.075 0.000 0.981 158 V HN 0.182 nan 8.190 nan 0.000 0.478 159 P HA 0.052 nan 4.420 nan 0.000 0.266 159 P C 0.896 178.029 177.300 -0.278 0.000 1.195 159 P CA 0.015 63.104 63.100 -0.019 0.000 0.768 159 P CB 0.677 32.365 31.700 -0.019 0.000 0.838 160 E N 2.477 122.275 120.200 -0.670 0.000 2.171 160 E HA -0.277 4.073 4.350 0.000 0.000 0.197 160 E C 1.483 177.598 176.600 -0.807 0.000 0.997 160 E CA 1.328 56.852 56.400 -1.460 0.000 0.810 160 E CB 0.041 29.044 29.700 -1.161 0.000 0.738 160 E HN 0.585 nan 8.360 nan 0.000 0.467 161 E N -0.249 119.712 120.200 -0.398 0.000 2.338 161 E HA -0.196 4.154 4.350 0.000 0.000 0.197 161 E C 0.599 177.122 176.600 -0.128 0.000 1.007 161 E CA 1.119 57.392 56.400 -0.211 0.000 0.849 161 E CB 0.065 29.687 29.700 -0.130 0.000 0.774 161 E HN 0.233 nan 8.360 nan 0.000 0.506 162 D N -0.601 119.739 120.400 -0.101 0.000 2.363 162 D HA 0.014 4.654 4.640 0.000 0.000 0.214 162 D C 0.718 177.041 176.300 0.038 0.000 1.093 162 D CA -0.128 53.842 54.000 -0.049 0.000 0.837 162 D CB -0.166 40.618 40.800 -0.026 0.000 0.948 162 D HN 0.275 nan 8.370 nan 0.000 0.507 163 W N 1.529 122.745 121.300 -0.140 0.000 2.374 163 W HA -0.066 4.594 4.660 0.000 0.000 0.288 163 W C 2.072 178.517 176.519 -0.123 0.000 1.218 163 W CA 0.717 58.002 57.345 -0.100 0.000 1.245 163 W CB -1.237 28.172 29.460 -0.086 0.000 1.126 163 W HN -0.046 nan 8.180 nan 0.000 0.545 164 T N -0.385 114.207 114.554 0.062 0.000 2.777 164 T HA -0.239 4.111 4.350 0.000 0.000 0.266 164 T C 1.759 176.334 174.700 -0.207 0.000 1.040 164 T CA 1.702 63.772 62.100 -0.049 0.000 1.141 164 T CB -0.285 68.560 68.868 -0.039 0.000 0.868 164 T HN 0.176 nan 8.240 nan 0.000 0.444 165 Q N -0.409 119.200 119.800 -0.318 0.000 2.124 165 Q HA -0.089 4.251 4.340 0.000 0.000 0.202 165 Q C 1.993 177.267 176.000 -1.210 0.000 0.977 165 Q CA 1.261 56.665 55.803 -0.666 0.000 0.850 165 Q CB -0.231 28.136 28.738 -0.618 0.000 0.901 165 Q HN 0.525 nan 8.270 nan 0.000 0.429 166 F N 1.579 120.926 119.950 -1.005 0.000 2.186 166 F HA -0.203 4.324 4.527 0.000 0.000 0.299 166 F C 1.939 177.499 175.800 -0.401 0.000 1.090 166 F CA 1.751 59.276 58.000 -0.792 0.000 1.307 166 F CB -0.242 38.522 39.000 -0.394 0.000 1.019 166 F HN 0.195 nan 8.300 nan 0.000 0.489 167 D N -0.096 120.135 120.400 -0.282 0.000 2.123 167 D HA -0.174 4.466 4.640 0.000 0.000 0.196 167 D C 2.355 178.509 176.300 -0.243 0.000 0.992 167 D CA 1.511 55.377 54.000 -0.222 0.000 0.833 167 D CB -0.550 40.181 40.800 -0.115 0.000 0.954 167 D HN 0.420 nan 8.370 nan 0.000 0.455 168 G N 0.264 108.876 108.800 -0.315 0.000 2.421 168 G HA2 -0.256 3.704 3.960 0.000 0.000 0.216 168 G HA3 -0.256 3.704 3.960 0.000 0.000 0.216 168 G C 1.470 176.328 174.900 -0.070 0.000 1.171 168 G CA 0.706 45.685 45.100 -0.202 0.000 0.775 168 G HN 0.303 nan 8.290 nan 0.000 0.543 169 W N 1.204 122.419 121.300 -0.142 0.000 2.358 169 W HA -0.001 4.659 4.660 0.000 0.000 0.303 169 W C 2.720 179.133 176.519 -0.177 0.000 1.208 169 W CA 1.328 58.590 57.345 -0.140 0.000 1.274 169 W CB -1.654 27.711 29.460 -0.159 0.000 1.138 169 W HN 0.135 nan 8.180 nan 0.000 0.515 170 T N 0.984 115.460 114.554 -0.130 0.000 2.665 170 T HA -0.226 4.124 4.350 0.000 0.000 0.268 170 T C 1.840 176.509 174.700 -0.052 0.000 1.035 170 T CA 1.937 63.936 62.100 -0.169 0.000 1.151 170 T CB -0.281 68.394 68.868 -0.321 0.000 0.862 170 T HN 0.021 nan 8.240 nan 0.000 0.438 171 Q N 0.605 120.377 119.800 -0.045 0.000 2.119 171 Q HA 0.093 4.434 4.340 0.000 0.000 0.201 171 Q C 2.672 178.682 176.000 0.018 0.000 0.972 171 Q CA 1.460 57.256 55.803 -0.012 0.000 0.847 171 Q CB -0.822 27.907 28.738 -0.015 0.000 0.903 171 Q HN 0.590 nan 8.270 nan 0.000 0.433 172 A N 0.680 123.524 122.820 0.039 0.000 1.902 172 A HA -0.135 4.185 4.320 0.000 0.000 0.217 172 A C 2.198 179.810 177.584 0.046 0.000 1.181 172 A CA 1.118 53.187 52.037 0.052 0.000 0.623 172 A CB -0.631 18.419 19.000 0.082 0.000 0.818 172 A HN 0.310 nan 8.150 nan 0.000 0.443 173 I N -0.577 120.027 120.570 0.056 0.000 2.202 173 I HA -0.199 3.971 4.170 0.000 0.000 0.242 173 I C 2.355 178.491 176.117 0.032 0.000 1.091 173 I CA 1.040 62.369 61.300 0.047 0.000 1.368 173 I CB -0.316 37.742 38.000 0.095 0.000 1.058 173 I HN 0.146 nan 8.210 nan 0.000 0.410 174 V N 1.072 121.004 119.914 0.030 0.000 2.295 174 V HA -0.319 3.801 4.120 0.000 0.000 0.246 174 V C 2.719 178.834 176.094 0.035 0.000 1.049 174 V CA 2.084 64.402 62.300 0.030 0.000 1.024 174 V CB -1.031 30.805 31.823 0.022 0.000 0.648 174 V HN 0.506 nan 8.190 nan 0.000 0.447 175 A N -0.117 122.722 122.820 0.032 0.000 1.902 175 A HA -0.114 4.206 4.320 0.000 0.000 0.217 175 A C 2.397 180.003 177.584 0.036 0.000 1.181 175 A CA 2.125 54.183 52.037 0.036 0.000 0.623 175 A CB -0.748 18.271 19.000 0.032 0.000 0.818 175 A HN 0.580 nan 8.150 nan 0.000 0.443 176 A N -0.065 122.772 122.820 0.028 0.000 1.930 176 A HA -0.161 4.159 4.320 0.000 0.000 0.217 176 A C 1.902 179.498 177.584 0.020 0.000 1.175 176 A CA 1.872 53.921 52.037 0.019 0.000 0.627 176 A CB -0.667 18.336 19.000 0.005 0.000 0.815 176 A HN 0.637 nan 8.150 nan 0.000 0.443 177 N N -0.317 118.396 118.700 0.021 0.000 2.457 177 N HA 0.145 4.885 4.740 0.000 0.000 0.180 177 N C 0.769 176.314 175.510 0.058 0.000 1.050 177 N CA 0.784 53.848 53.050 0.025 0.000 0.906 177 N CB -0.275 38.223 38.487 0.017 0.000 0.968 177 N HN 0.470 nan 8.380 nan 0.000 0.445 186 A N 0.408 123.222 122.820 -0.010 0.000 3.365 186 A HA 0.533 4.853 4.320 0.000 0.000 0.258 186 A C 1.003 178.591 177.584 0.008 0.000 0.964 186 A CA -0.005 52.037 52.037 0.008 0.000 0.988 186 A CB 0.147 19.156 19.000 0.015 0.000 1.193 186 A HN 1.303 nan 8.150 nan 0.000 0.508 187 L N 0.101 121.327 121.223 0.005 0.000 2.046 187 L HA -0.129 4.211 4.340 0.000 0.000 0.208 187 L C 1.990 178.864 176.870 0.007 0.000 1.077 187 L CA 2.754 57.596 54.840 0.004 0.000 0.747 187 L CB -0.200 41.861 42.059 0.004 0.000 0.896 187 L HN 0.686 nan 8.230 nan 0.000 0.432 188 D N -0.666 119.743 120.400 0.016 0.000 2.104 188 D HA -0.213 4.427 4.640 0.000 0.000 0.194 188 D C 1.945 178.230 176.300 -0.026 0.000 0.994 188 D CA 1.431 55.439 54.000 0.013 0.000 0.830 188 D CB 0.289 41.117 40.800 0.047 0.000 0.959 188 D HN 0.462 nan 8.370 nan 0.000 0.452 189 A N 0.506 123.335 122.820 0.015 0.000 1.873 189 A HA -0.095 4.225 4.320 0.000 0.000 0.215 189 A C 2.674 180.223 177.584 -0.058 0.000 1.186 189 A CA 1.444 53.479 52.037 -0.004 0.000 0.616 189 A CB -0.837 18.243 19.000 0.133 0.000 0.823 189 A HN 0.219 nan 8.150 nan 0.000 0.442 190 V N -0.029 119.925 119.914 0.067 0.000 2.295 190 V HA -0.178 3.942 4.120 0.000 0.000 0.246 190 V C 2.841 179.024 176.094 0.148 0.000 1.049 190 V CA 2.028 64.476 62.300 0.247 0.000 1.024 190 V CB -1.448 30.432 31.823 0.095 0.000 0.648 190 V HN 0.618 nan 8.190 nan 0.000 0.447 191 G N -0.572 108.239 108.800 0.018 0.000 2.446 191 G HA2 -0.262 3.698 3.960 0.000 0.000 0.217 191 G HA3 -0.262 3.698 3.960 0.000 0.000 0.217 191 G C 1.854 176.660 174.900 -0.156 0.000 1.168 191 G CA 1.283 46.364 45.100 -0.033 0.000 0.771 191 G HN 0.517 nan 8.290 nan 0.000 0.551 192 S N -0.043 115.455 115.700 -0.337 0.000 2.368 192 S HA -0.082 4.388 4.470 0.000 0.000 0.225 192 S C 2.256 176.303 174.600 -0.922 0.000 1.030 192 S CA 1.423 59.236 58.200 -0.645 0.000 0.999 192 S CB -0.268 62.330 63.200 -1.003 0.000 0.844 192 S HN 0.388 nan 8.310 nan 0.000 0.459 193 M N 0.052 119.118 119.600 -0.889 0.000 2.099 193 M HA -0.040 4.440 4.480 0.000 0.000 0.262 193 M C 2.149 178.395 176.300 -0.090 0.000 1.067 193 M CA 1.401 56.377 55.300 -0.540 0.000 1.124 193 M CB -0.142 32.379 32.600 -0.132 0.000 1.353 193 M HN 0.271 nan 8.290 nan 0.000 0.410 194 M N -0.053 119.503 119.600 -0.073 0.000 2.159 194 M HA -0.082 4.398 4.480 0.000 0.000 0.263 194 M C 2.061 178.386 176.300 0.042 0.000 1.063 194 M CA 1.848 57.160 55.300 0.019 0.000 1.110 194 M CB -0.471 32.178 32.600 0.082 0.000 1.374 194 M HN 0.363 nan 8.290 nan 0.000 0.411 195 A N -1.275 121.530 122.820 -0.025 0.000 1.877 195 A HA -0.228 4.092 4.320 0.000 0.000 0.216 195 A C 2.105 179.688 177.584 -0.001 0.000 1.186 195 A CA 1.711 53.738 52.037 -0.016 0.000 0.620 195 A CB -1.284 17.692 19.000 -0.040 0.000 0.822 195 A HN 0.620 nan 8.150 nan 0.000 0.443 196 Y N -0.655 119.544 120.300 -0.170 0.000 2.145 196 Y HA -0.222 4.328 4.550 0.000 0.000 0.286 196 Y C 1.898 177.704 175.900 -0.158 0.000 1.145 196 Y CA 2.067 60.070 58.100 -0.161 0.000 1.148 196 Y CB -0.410 37.929 38.460 -0.202 0.000 0.981 196 Y HN 0.262 nan 8.280 nan 0.000 0.507 197 F N 0.239 120.251 119.950 0.103 0.000 2.293 197 F HA -0.149 4.379 4.527 0.000 0.000 0.300 197 F C 2.689 178.458 175.800 -0.050 0.000 1.086 197 F CA 1.647 59.660 58.000 0.021 0.000 1.375 197 F CB -1.176 37.874 39.000 0.083 0.000 1.045 197 F HN 0.183 nan 8.300 nan 0.000 0.516 198 T N -2.660 111.960 114.554 0.109 0.000 2.788 198 T HA -0.117 4.234 4.350 0.000 0.000 0.268 198 T C 2.419 177.112 174.700 -0.011 0.000 1.044 198 T CA 1.292 63.422 62.100 0.050 0.000 1.139 198 T CB -1.241 67.648 68.868 0.035 0.000 0.867 198 T HN 0.290 nan 8.240 nan 0.000 0.454 199 G N 1.334 110.083 108.800 -0.084 0.000 2.402 199 G HA2 -0.045 3.915 3.960 0.000 0.000 0.216 199 G HA3 -0.045 3.915 3.960 0.000 0.000 0.216 199 G C 1.463 176.265 174.900 -0.163 0.000 1.162 199 G CA 0.849 45.867 45.100 -0.135 0.000 0.777 199 G HN 0.469 nan 8.290 nan 0.000 0.539 200 L N 0.703 121.779 121.223 -0.245 0.000 2.056 200 L HA 0.136 4.476 4.340 0.000 0.000 0.207 200 L C 2.663 179.521 176.870 -0.020 0.000 1.078 200 L CA 1.224 55.961 54.840 -0.172 0.000 0.749 200 L CB -0.382 41.554 42.059 -0.204 0.000 0.901 200 L HN 0.253 nan 8.230 nan 0.000 0.433 201 I N -0.418 120.177 120.570 0.043 0.000 2.163 201 I HA -0.307 3.863 4.170 0.000 0.000 0.243 201 I C 2.499 178.621 176.117 0.009 0.000 1.085 201 I CA 1.563 62.892 61.300 0.048 0.000 1.347 201 I CB -0.297 37.745 38.000 0.071 0.000 1.044 201 I HN 0.345 nan 8.210 nan 0.000 0.408 202 E N 1.230 121.426 120.200 -0.006 0.000 2.085 202 E HA -0.274 4.076 4.350 0.000 0.000 0.194 202 E C 2.274 178.858 176.600 -0.026 0.000 0.994 202 E CA 1.503 57.894 56.400 -0.016 0.000 0.801 202 E CB -0.181 29.506 29.700 -0.022 0.000 0.743 202 E HN 0.211 nan 8.360 nan 0.000 0.453 203 R N -0.332 120.144 120.500 -0.040 0.000 2.081 203 R HA -0.088 4.253 4.340 0.000 0.000 0.235 203 R C 1.897 178.176 176.300 -0.036 0.000 1.131 203 R CA 1.267 57.341 56.100 -0.043 0.000 0.960 203 R CB -0.019 30.244 30.300 -0.061 0.000 0.856 203 R HN 0.036 nan 8.270 nan 0.000 0.436 204 R N 0.558 121.041 120.500 -0.029 0.000 2.285 204 R HA -0.052 4.288 4.340 0.000 0.000 0.213 204 R C 1.998 178.276 176.300 -0.037 0.000 1.068 204 R CA 0.771 56.851 56.100 -0.033 0.000 1.004 204 R CB -0.457 29.828 30.300 -0.024 0.000 0.873 204 R HN 0.350 nan 8.270 nan 0.000 0.467 205 R N -0.218 120.266 120.500 -0.027 0.000 2.096 205 R HA -0.088 4.253 4.340 0.000 0.000 0.235 205 R C 1.711 177.993 176.300 -0.030 0.000 1.127 205 R CA 2.019 58.104 56.100 -0.026 0.000 0.968 205 R CB -0.090 30.200 30.300 -0.018 0.000 0.861 205 R HN 0.359 nan 8.270 nan 0.000 0.440 206 T N -3.446 111.089 114.554 -0.031 0.000 2.971 206 T HA 0.145 4.495 4.350 0.000 0.000 0.252 206 T C 0.546 175.225 174.700 -0.036 0.000 1.022 206 T CA -0.183 61.898 62.100 -0.031 0.000 0.980 206 T CB 0.500 69.352 68.868 -0.026 0.000 1.044 206 T HN 0.103 nan 8.240 nan 0.000 0.501 207 E N 2.862 123.037 120.200 -0.041 0.000 3.786 207 E HA 0.283 4.633 4.350 0.000 0.000 0.215 207 E C -2.840 173.726 176.600 -0.058 0.000 1.188 207 E CA -1.986 54.386 56.400 -0.046 0.000 1.248 207 E CB 1.064 30.739 29.700 -0.041 0.000 1.260 207 E HN 0.401 nan 8.360 nan 0.000 0.426 208 P HA 0.138 nan 4.420 nan 0.000 0.276 208 P C -0.475 176.754 177.300 -0.117 0.000 1.230 208 P CA 0.069 63.108 63.100 -0.102 0.000 0.776 208 P CB 1.639 33.265 31.700 -0.123 0.000 0.888 209 A N 2.819 125.558 122.820 -0.134 0.000 3.444 209 A HA 0.450 4.770 4.320 0.000 0.000 0.189 209 A C 0.625 178.084 177.584 -0.209 0.000 1.542 209 A CA -0.149 51.807 52.037 -0.135 0.000 0.867 209 A CB -0.094 18.846 19.000 -0.099 0.000 1.712 209 A HN 0.403 nan 8.150 nan 0.000 0.556 210 D N 0.322 120.622 120.400 -0.166 0.000 2.369 210 D HA 0.083 4.724 4.640 0.000 0.000 0.211 210 D C -0.262 175.990 176.300 -0.080 0.000 1.077 210 D CA 0.063 53.979 54.000 -0.141 0.000 0.842 210 D CB 0.004 40.773 40.800 -0.052 0.000 0.947 210 D HN 0.632 nan 8.370 nan 0.000 0.509 211 D N -0.082 120.234 120.400 -0.140 0.000 2.398 211 D HA 0.169 4.809 4.640 0.000 0.000 0.247 211 D C 1.184 177.485 176.300 0.002 0.000 1.227 211 D CA -0.489 53.431 54.000 -0.133 0.000 0.980 211 D CB 1.483 42.181 40.800 -0.171 0.000 1.106 211 D HN -0.115 nan 8.370 nan 0.000 0.493 212 A N 0.432 123.242 122.820 -0.017 0.000 1.933 212 A HA -0.132 4.188 4.320 0.000 0.000 0.218 212 A C 2.249 179.852 177.584 0.032 0.000 1.175 212 A CA 0.988 53.052 52.037 0.044 0.000 0.628 212 A CB -0.541 18.550 19.000 0.153 0.000 0.814 212 A HN 0.586 nan 8.150 nan 0.000 0.444 213 I N 0.064 120.673 120.570 0.065 0.000 2.202 213 I HA -0.138 4.032 4.170 0.000 0.000 0.242 213 I C 2.574 178.689 176.117 -0.003 0.000 1.091 213 I CA 1.568 62.899 61.300 0.052 0.000 1.368 213 I CB -1.667 36.392 38.000 0.099 0.000 1.058 213 I HN 0.208 nan 8.210 nan 0.000 0.410 214 S N -0.092 115.582 115.700 -0.043 0.000 2.374 214 S HA -0.215 4.255 4.470 0.000 0.000 0.227 214 S C 1.948 176.451 174.600 -0.162 0.000 1.037 214 S CA 1.221 59.349 58.200 -0.120 0.000 1.024 214 S CB -0.467 62.617 63.200 -0.193 0.000 0.861 214 S HN 0.456 nan 8.310 nan 0.000 0.456 215 H N 0.815 119.833 119.070 -0.086 0.000 2.387 215 H HA 0.059 4.615 4.556 0.000 0.000 0.299 215 H C 2.181 177.433 175.328 -0.126 0.000 1.090 215 H CA 1.082 57.068 56.048 -0.105 0.000 1.332 215 H CB -0.419 29.271 29.762 -0.120 0.000 1.386 215 H HN 0.309 nan 8.280 nan 0.000 0.516 216 L N -0.184 121.015 121.223 -0.039 0.000 2.017 216 L HA -0.160 4.181 4.340 0.000 0.000 0.208 216 L C 2.728 179.569 176.870 -0.048 0.000 1.073 216 L CA 0.734 55.511 54.840 -0.105 0.000 0.745 216 L CB -0.400 41.569 42.059 -0.151 0.000 0.894 216 L HN 0.039 nan 8.230 nan 0.000 0.432 217 V N 0.064 119.959 119.914 -0.032 0.000 2.287 217 V HA -0.318 3.803 4.120 0.000 0.000 0.248 217 V C 2.737 178.812 176.094 -0.030 0.000 1.053 217 V CA 1.887 64.174 62.300 -0.022 0.000 1.027 217 V CB -0.992 30.820 31.823 -0.020 0.000 0.646 217 V HN 0.502 nan 8.190 nan 0.000 0.447 218 A N -0.049 122.743 122.820 -0.047 0.000 1.972 218 A HA -0.068 4.253 4.320 0.000 0.000 0.219 218 A C 2.225 179.795 177.584 -0.023 0.000 1.169 218 A CA 1.834 53.844 52.037 -0.044 0.000 0.635 218 A CB -0.619 18.337 19.000 -0.074 0.000 0.810 218 A HN 0.621 nan 8.150 nan 0.000 0.446 219 A N -1.804 121.005 122.820 -0.018 0.000 2.235 219 A HA 0.401 4.721 4.320 0.000 0.000 0.208 219 A C 1.762 179.334 177.584 -0.019 0.000 1.172 219 A CA 1.197 53.222 52.037 -0.020 0.000 0.786 219 A CB -0.996 17.982 19.000 -0.037 0.000 0.804 219 A HN 1.892 nan 8.150 nan 0.000 0.479 220 G N -1.604 107.187 108.800 -0.015 0.000 2.141 220 G HA2 -0.203 3.757 3.960 0.000 0.000 0.242 220 G HA3 -0.203 3.757 3.960 0.000 0.000 0.242 220 G C 0.160 175.062 174.900 0.002 0.000 0.982 220 G CA 0.056 45.152 45.100 -0.007 0.000 0.662 220 G HN 0.783 nan 8.290 nan 0.000 0.527 221 V N 0.667 120.583 119.914 0.004 0.000 2.450 221 V HA 0.466 4.586 4.120 0.000 0.000 0.281 221 V C 1.824 177.938 176.094 0.033 0.000 1.019 221 V CA 1.543 63.860 62.300 0.028 0.000 1.062 221 V CB 0.452 32.300 31.823 0.042 0.000 0.979 221 V HN 1.938 nan 8.190 nan 0.000 0.477 222 G N 3.896 112.717 108.800 0.035 0.000 2.195 222 G HA2 -0.131 3.829 3.960 0.000 0.000 0.246 222 G HA3 -0.131 3.829 3.960 0.000 0.000 0.246 222 G C 0.484 175.395 174.900 0.019 0.000 0.984 222 G CA 0.162 45.281 45.100 0.031 0.000 0.633 222 G HN 1.447 nan 8.290 nan 0.000 0.525 223 A N 0.081 122.909 122.820 0.013 0.000 2.466 223 A HA 0.497 4.817 4.320 0.000 0.000 0.238 223 A C 1.088 178.677 177.584 0.008 0.000 1.074 223 A CA 1.528 53.569 52.037 0.007 0.000 0.774 223 A CB -0.092 18.909 19.000 0.003 0.000 1.015 223 A HN 1.655 nan 8.150 nan 0.000 0.498 224 D N -0.469 119.934 120.400 0.005 0.000 2.689 224 D HA -0.086 4.554 4.640 0.000 0.000 0.237 224 D C 0.957 177.261 176.300 0.007 0.000 1.148 224 D CA 2.597 56.600 54.000 0.005 0.000 0.656 224 D CB -1.336 39.466 40.800 0.004 0.000 1.050 224 D HN 2.112 nan 8.370 nan 0.000 0.426 225 G N 0.677 109.482 108.800 0.009 0.000 2.153 225 G HA2 -0.339 3.621 3.960 0.000 0.000 0.252 225 G HA3 -0.339 3.621 3.960 0.000 0.000 0.252 225 G C 0.071 174.978 174.900 0.013 0.000 0.994 225 G CA 0.251 45.357 45.100 0.011 0.000 0.698 225 G HN 0.658 nan 8.290 nan 0.000 0.521 226 D N 0.682 121.091 120.400 0.015 0.000 2.498 226 D HA 0.425 5.065 4.640 0.000 0.000 0.229 226 D C 1.850 178.164 176.300 0.023 0.000 1.188 226 D CA 0.618 54.629 54.000 0.018 0.000 1.028 226 D CB -0.119 40.692 40.800 0.019 0.000 1.087 226 D HN 0.163 nan 8.370 nan 0.000 0.510 227 T N 1.523 116.090 114.554 0.021 0.000 2.699 227 T HA -0.214 4.136 4.350 0.000 0.000 0.268 227 T C 1.899 176.616 174.700 0.028 0.000 1.036 227 T CA 1.583 63.699 62.100 0.025 0.000 1.147 227 T CB -0.133 68.748 68.868 0.022 0.000 0.862 227 T HN 0.505 nan 8.240 nan 0.000 0.446 228 A N 1.474 124.308 122.820 0.024 0.000 1.908 228 A HA 0.089 4.409 4.320 0.000 0.000 0.218 228 A C 2.662 180.263 177.584 0.027 0.000 1.181 228 A CA 1.937 53.986 52.037 0.021 0.000 0.627 228 A CB -1.457 17.551 19.000 0.013 0.000 0.818 228 A HN 0.521 nan 8.150 nan 0.000 0.445 229 G N -1.061 107.760 108.800 0.036 0.000 2.459 229 G HA2 -0.205 3.755 3.960 0.000 0.000 0.217 229 G HA3 -0.205 3.755 3.960 0.000 0.000 0.217 229 G C 1.598 176.540 174.900 0.070 0.000 1.183 229 G CA 1.701 46.835 45.100 0.057 0.000 0.776 229 G HN 0.423 nan 8.290 nan 0.000 0.552 230 T N 1.022 115.610 114.554 0.056 0.000 2.720 230 T HA -0.135 4.215 4.350 0.000 0.000 0.268 230 T C 2.259 177.001 174.700 0.069 0.000 1.037 230 T CA 1.211 63.348 62.100 0.061 0.000 1.144 230 T CB -0.252 68.645 68.868 0.048 0.000 0.864 230 T HN 0.104 nan 8.240 nan 0.000 0.444 231 L N 1.830 123.087 121.223 0.056 0.000 2.079 231 L HA -0.104 4.236 4.340 0.000 0.000 0.210 231 L C 2.636 179.540 176.870 0.058 0.000 1.081 231 L CA 1.987 56.862 54.840 0.057 0.000 0.752 231 L CB -0.833 41.252 42.059 0.044 0.000 0.896 231 L HN 0.368 nan 8.230 nan 0.000 0.433 232 S N -1.081 114.644 115.700 0.043 0.000 2.399 232 S HA -0.166 4.304 4.470 0.000 0.000 0.231 232 S C 2.028 176.708 174.600 0.133 0.000 1.022 232 S CA 1.404 59.602 58.200 -0.003 0.000 0.983 232 S CB -0.868 62.280 63.200 -0.086 0.000 0.803 232 S HN 0.508 nan 8.310 nan 0.000 0.480 233 I N 1.391 122.077 120.570 0.194 0.000 2.202 233 I HA -0.120 4.050 4.170 0.000 0.000 0.242 233 I C 2.470 178.687 176.117 0.166 0.000 1.091 233 I CA 1.084 62.527 61.300 0.238 0.000 1.368 233 I CB -0.525 37.566 38.000 0.151 0.000 1.058 233 I HN 0.261 nan 8.210 nan 0.000 0.410 234 L N 0.851 122.126 121.223 0.086 0.000 2.042 234 L HA -0.226 4.114 4.340 0.000 0.000 0.210 234 L C 2.908 179.787 176.870 0.016 0.000 1.076 234 L CA 1.497 56.340 54.840 0.005 0.000 0.749 234 L CB -0.804 41.281 42.059 0.044 0.000 0.893 234 L HN 0.254 nan 8.230 nan 0.000 0.432 235 A N -0.258 122.633 122.820 0.119 0.000 1.933 235 A HA -0.275 4.046 4.320 0.000 0.000 0.218 235 A C 2.184 179.879 177.584 0.184 0.000 1.175 235 A CA 1.598 53.741 52.037 0.176 0.000 0.628 235 A CB -0.861 18.199 19.000 0.100 0.000 0.814 235 A HN 0.424 nan 8.150 nan 0.000 0.444 236 F N 2.066 122.049 119.950 0.054 0.000 2.171 236 F HA -0.190 4.337 4.527 0.000 0.000 0.300 236 F C 2.679 178.501 175.800 0.037 0.000 1.090 236 F CA 2.298 60.366 58.000 0.114 0.000 1.293 236 F CB -0.663 38.512 39.000 0.291 0.000 1.013 236 F HN 0.359 nan 8.300 nan 0.000 0.486 237 T N -1.771 112.660 114.554 -0.204 0.000 2.746 237 T HA -0.233 4.117 4.350 0.000 0.000 0.267 237 T C 1.953 176.503 174.700 -0.249 0.000 1.039 237 T CA 1.488 63.316 62.100 -0.453 0.000 1.142 237 T CB -1.189 67.135 68.868 -0.907 0.000 0.866 237 T HN 0.191 nan 8.240 nan 0.000 0.444 238 F N 2.336 122.239 119.950 -0.078 0.000 2.146 238 F HA 0.048 4.575 4.527 0.000 0.000 0.298 238 F C 2.981 178.741 175.800 -0.065 0.000 1.096 238 F CA 1.020 59.002 58.000 -0.031 0.000 1.275 238 F CB -1.396 37.602 39.000 -0.002 0.000 1.008 238 F HN 0.174 nan 8.300 nan 0.000 0.480 239 T N 0.249 114.856 114.554 0.088 0.000 2.665 239 T HA -0.245 4.105 4.350 0.000 0.000 0.268 239 T C 2.180 176.829 174.700 -0.086 0.000 1.035 239 T CA 1.512 63.612 62.100 -0.001 0.000 1.151 239 T CB -0.226 68.649 68.868 0.012 0.000 0.862 239 T HN 0.063 nan 8.240 nan 0.000 0.438 240 M N 0.647 120.095 119.600 -0.254 0.000 2.086 240 M HA -0.043 4.437 4.480 0.000 0.000 0.261 240 M C 2.545 178.827 176.300 -0.030 0.000 1.067 240 M CA 1.137 56.310 55.300 -0.213 0.000 1.116 240 M CB -1.245 31.133 32.600 -0.370 0.000 1.348 240 M HN 0.147 nan 8.290 nan 0.000 0.407 241 V N 0.645 120.582 119.914 0.038 0.000 2.332 241 V HA -0.255 3.866 4.120 0.000 0.000 0.248 241 V C 2.558 178.689 176.094 0.060 0.000 1.055 241 V CA 2.339 64.692 62.300 0.087 0.000 1.038 241 V CB -1.397 30.504 31.823 0.130 0.000 0.651 241 V HN 0.622 nan 8.190 nan 0.000 0.450 242 T N -1.952 112.640 114.554 0.063 0.000 3.023 242 T HA 0.094 4.444 4.350 0.000 0.000 0.266 242 T C 1.744 176.463 174.700 0.031 0.000 1.093 242 T CA 1.086 63.214 62.100 0.045 0.000 1.129 242 T CB -0.062 68.829 68.868 0.040 0.000 0.899 242 T HN 0.435 nan 8.240 nan 0.000 0.491 243 A N 1.322 124.154 122.820 0.019 0.000 1.984 243 A HA 0.542 4.863 4.320 0.000 0.000 0.214 243 A C 2.403 179.999 177.584 0.019 0.000 1.173 243 A CA 0.800 52.846 52.037 0.015 0.000 0.673 243 A CB -0.800 18.198 19.000 -0.004 0.000 0.830 243 A HN 0.576 nan 8.150 nan 0.000 0.453 244 G N -1.406 107.404 108.800 0.016 0.000 3.126 244 G HA2 0.108 4.068 3.960 0.000 0.000 0.224 244 G HA3 0.108 4.068 3.960 0.000 0.000 0.224 244 G C 0.926 175.840 174.900 0.023 0.000 1.142 244 G CA 0.202 45.311 45.100 0.016 0.000 0.759 244 G HN 0.373 nan 8.290 nan 0.000 0.550 245 N N 1.236 119.951 118.700 0.026 0.000 2.652 245 N HA -0.036 4.705 4.740 0.000 0.000 0.226 245 N C 1.745 177.268 175.510 0.022 0.000 1.023 245 N CA 1.133 54.197 53.050 0.022 0.000 1.126 245 N CB -0.081 38.417 38.487 0.018 0.000 1.476 245 N HN 0.250 nan 8.380 nan 0.000 0.537 246 D N 1.249 121.664 120.400 0.026 0.000 2.178 246 D HA -0.137 4.503 4.640 0.000 0.000 0.201 246 D C 1.709 178.018 176.300 0.014 0.000 0.980 246 D CA 1.809 55.823 54.000 0.024 0.000 0.842 246 D CB -0.994 39.827 40.800 0.035 0.000 0.948 246 D HN 0.353 nan 8.370 nan 0.000 0.472 247 T N -0.865 113.700 114.554 0.020 0.000 2.674 247 T HA -0.154 4.196 4.350 0.000 0.000 0.265 247 T C 2.267 176.966 174.700 -0.001 0.000 1.039 247 T CA 1.679 63.788 62.100 0.014 0.000 1.150 247 T CB -1.037 67.853 68.868 0.037 0.000 0.864 247 T HN 0.078 nan 8.240 nan 0.000 0.427 248 V N 2.057 121.975 119.914 0.006 0.000 2.343 248 V HA -0.167 3.954 4.120 0.000 0.000 0.247 248 V C 3.070 179.126 176.094 -0.065 0.000 1.051 248 V CA 2.268 64.558 62.300 -0.016 0.000 1.036 248 V CB -1.342 30.483 31.823 0.003 0.000 0.654 248 V HN 0.613 nan 8.190 nan 0.000 0.451 249 T N 0.326 114.861 114.554 -0.032 0.000 2.788 249 T HA -0.125 4.225 4.350 0.000 0.000 0.268 249 T C 1.906 176.562 174.700 -0.073 0.000 1.044 249 T CA 1.496 63.577 62.100 -0.032 0.000 1.139 249 T CB -0.593 68.292 68.868 0.029 0.000 0.867 249 T HN 0.625 nan 8.240 nan 0.000 0.454 250 G N 1.254 110.027 108.800 -0.046 0.000 2.418 250 G HA2 -0.203 3.757 3.960 0.000 0.000 0.217 250 G HA3 -0.203 3.757 3.960 0.000 0.000 0.217 250 G C 1.544 176.413 174.900 -0.052 0.000 1.158 250 G CA 0.874 45.958 45.100 -0.027 0.000 0.771 250 G HN 0.457 nan 8.290 nan 0.000 0.545 251 M N -0.070 119.478 119.600 -0.087 0.000 2.080 251 M HA 0.005 4.485 4.480 0.000 0.000 0.260 251 M C 2.480 178.656 176.300 -0.207 0.000 1.068 251 M CA 1.450 56.685 55.300 -0.109 0.000 1.109 251 M CB -0.221 32.325 32.600 -0.090 0.000 1.342 251 M HN 0.222 nan 8.290 nan 0.000 0.405 252 L N -0.437 120.558 121.223 -0.380 0.000 2.005 252 L HA -0.077 4.263 4.340 0.000 0.000 0.207 252 L C 2.738 179.123 176.870 -0.808 0.000 1.072 252 L CA 1.407 55.752 54.840 -0.827 0.000 0.744 252 L CB -1.367 39.849 42.059 -1.406 0.000 0.895 252 L HN 0.491 nan 8.230 nan 0.000 0.433 253 G N -0.472 108.042 108.800 -0.477 0.000 2.402 253 G HA2 -0.162 3.798 3.960 0.000 0.000 0.216 253 G HA3 -0.162 3.798 3.960 0.000 0.000 0.216 253 G C 1.592 176.473 174.900 -0.032 0.000 1.162 253 G CA 0.659 45.716 45.100 -0.072 0.000 0.777 253 G HN 0.484 nan 8.290 nan 0.000 0.539 254 G N 0.464 109.266 108.800 0.004 0.000 2.448 254 G HA2 -0.105 3.855 3.960 0.000 0.000 0.219 254 G HA3 -0.105 3.855 3.960 0.000 0.000 0.219 254 G C 2.009 176.988 174.900 0.131 0.000 1.127 254 G CA 1.318 46.522 45.100 0.172 0.000 0.766 254 G HN 0.415 nan 8.290 nan 0.000 0.552 255 S N 0.308 116.025 115.700 0.027 0.000 2.453 255 S HA 0.010 4.480 4.470 0.000 0.000 0.231 255 S C 2.431 177.094 174.600 0.106 0.000 1.005 255 S CA 0.596 58.819 58.200 0.038 0.000 0.949 255 S CB -0.126 63.053 63.200 -0.034 0.000 0.774 255 S HN 0.198 nan 8.310 nan 0.000 0.510 256 M N 1.532 121.202 119.600 0.118 0.000 2.065 256 M HA -0.047 4.433 4.480 0.000 0.000 0.259 256 M C -0.804 175.690 176.300 0.324 0.000 1.069 256 M CA 1.532 56.962 55.300 0.216 0.000 1.110 256 M CB -2.718 29.999 32.600 0.195 0.000 1.328 256 M HN 0.145 nan 8.290 nan 0.000 0.405 257 P HA -0.080 nan 4.420 nan 0.000 0.219 257 P C 1.918 179.374 177.300 0.261 0.000 1.150 257 P CA 1.192 64.464 63.100 0.286 0.000 0.814 257 P CB -0.239 31.616 31.700 0.258 0.000 0.787 258 L N -1.079 120.271 121.223 0.211 0.000 2.046 258 L HA -0.138 4.202 4.340 0.000 0.000 0.208 258 L C 2.819 179.776 176.870 0.145 0.000 1.077 258 L CA 1.327 56.256 54.840 0.149 0.000 0.747 258 L CB -1.135 40.984 42.059 0.101 0.000 0.896 258 L HN -0.091 nan 8.230 nan 0.000 0.432 259 L N -0.999 120.344 121.223 0.201 0.000 2.056 259 L HA -0.221 4.119 4.340 0.000 0.000 0.207 259 L C 2.711 179.715 176.870 0.224 0.000 1.078 259 L CA 1.109 56.086 54.840 0.229 0.000 0.749 259 L CB -0.659 41.596 42.059 0.326 0.000 0.901 259 L HN 0.287 nan 8.230 nan 0.000 0.433 260 H N 1.178 120.374 119.070 0.210 0.000 2.353 260 H HA -0.179 4.377 4.556 0.001 0.000 0.300 260 H C 2.258 177.564 175.328 -0.035 0.000 1.090 260 H CA 1.756 57.804 56.048 -0.001 0.000 1.327 260 H CB 0.085 29.880 29.762 0.056 0.000 1.383 260 H HN 0.224 nan 8.280 nan 0.000 0.508 261 R N -0.437 120.029 120.500 -0.056 0.000 2.313 261 R HA 0.091 4.431 4.340 0.000 0.000 0.199 261 R C -0.143 176.099 176.300 -0.097 0.000 0.958 261 R CA 0.243 56.281 56.100 -0.103 0.000 1.047 261 R CB 0.345 30.672 30.300 0.044 0.000 0.955 261 R HN 0.044 nan 8.270 nan 0.000 0.481 262 R N 1.090 121.542 120.500 -0.079 0.000 2.651 262 R HA 0.247 4.587 4.340 0.000 0.000 0.282 262 R C -2.290 173.974 176.300 -0.060 0.000 1.565 262 R CA -2.209 53.860 56.100 -0.051 0.000 1.661 262 R CB 1.367 31.661 30.300 -0.009 0.000 1.189 262 R HN 0.069 nan 8.270 nan 0.000 0.621 263 P HA -0.188 nan 4.420 nan 0.000 0.218 263 P C 0.984 178.262 177.300 -0.037 0.000 1.148 263 P CA 1.247 64.296 63.100 -0.086 0.000 0.822 263 P CB 0.267 31.901 31.700 -0.110 0.000 0.784 264 D N -0.573 119.808 120.400 -0.031 0.000 2.144 264 D HA -0.210 4.431 4.640 0.000 0.000 0.199 264 D C 1.575 177.874 176.300 -0.003 0.000 0.984 264 D CA 1.257 55.247 54.000 -0.015 0.000 0.834 264 D CB -0.727 40.064 40.800 -0.015 0.000 0.955 264 D HN 0.158 nan 8.370 nan 0.000 0.465 265 Q N 0.497 120.297 119.800 0.000 0.000 2.123 265 Q HA 0.022 4.362 4.340 0.000 0.000 0.199 265 Q C 2.467 178.484 176.000 0.029 0.000 0.966 265 Q CA 0.645 56.456 55.803 0.013 0.000 0.845 265 Q CB -0.251 28.495 28.738 0.014 0.000 0.907 265 Q HN 0.477 nan 8.270 nan 0.000 0.439 266 R N 0.439 120.962 120.500 0.038 0.000 2.096 266 R HA -0.112 4.228 4.340 0.000 0.000 0.235 266 R C 2.309 178.638 176.300 0.048 0.000 1.127 266 R CA 1.169 57.308 56.100 0.065 0.000 0.968 266 R CB -0.214 30.139 30.300 0.088 0.000 0.861 266 R HN 0.018 nan 8.270 nan 0.000 0.440 267 R N 1.461 121.977 120.500 0.026 0.000 2.091 267 R HA -0.085 4.255 4.340 0.000 0.000 0.238 267 R C 2.069 178.383 176.300 0.022 0.000 1.136 267 R CA 1.397 57.510 56.100 0.021 0.000 0.959 267 R CB -0.733 29.572 30.300 0.008 0.000 0.856 267 R HN 0.199 nan 8.270 nan 0.000 0.437 268 L N -0.191 121.044 121.223 0.020 0.000 2.079 268 L HA -0.190 4.151 4.340 0.000 0.000 0.210 268 L C 2.128 179.012 176.870 0.024 0.000 1.081 268 L CA 1.325 56.175 54.840 0.018 0.000 0.752 268 L CB -0.311 41.757 42.059 0.015 0.000 0.896 268 L HN 0.249 nan 8.230 nan 0.000 0.433 269 L N -1.332 119.910 121.223 0.032 0.000 2.270 269 L HA -0.111 4.229 4.340 0.000 0.000 0.210 269 L C 2.335 179.229 176.870 0.040 0.000 1.104 269 L CA 0.392 55.255 54.840 0.037 0.000 0.804 269 L CB -0.249 41.837 42.059 0.045 0.000 0.937 269 L HN 0.240 nan 8.230 nan 0.000 0.450 270 L N -0.177 121.072 121.223 0.044 0.000 2.093 270 L HA -0.189 4.151 4.340 0.000 0.000 0.208 270 L C 2.005 178.894 176.870 0.032 0.000 1.085 270 L CA 1.101 55.967 54.840 0.043 0.000 0.755 270 L CB -0.378 41.708 42.059 0.045 0.000 0.904 270 L HN 0.259 nan 8.230 nan 0.000 0.435 271 D N -1.074 119.342 120.400 0.027 0.000 2.213 271 D HA -0.073 4.567 4.640 0.000 0.000 0.205 271 D C 0.437 176.749 176.300 0.020 0.000 0.961 271 D CA 1.000 55.013 54.000 0.021 0.000 0.853 271 D CB 0.104 40.914 40.800 0.017 0.000 0.967 271 D HN 0.118 nan 8.370 nan 0.000 0.496 272 D N -0.943 119.470 120.400 0.022 0.000 2.378 272 D HA 0.183 4.823 4.640 0.000 0.000 0.265 272 D C -2.151 174.163 176.300 0.024 0.000 1.229 272 D CA -2.011 52.001 54.000 0.021 0.000 0.914 272 D CB 1.596 42.406 40.800 0.018 0.000 1.140 272 D HN -0.205 nan 8.370 nan 0.000 0.516 273 P HA -0.065 nan 4.420 nan 0.000 0.225 273 P C 0.701 178.017 177.300 0.026 0.000 1.148 273 P CA 0.729 63.846 63.100 0.028 0.000 0.779 273 P CB 0.490 32.207 31.700 0.028 0.000 0.780 274 E N -0.911 119.303 120.200 0.023 0.000 2.478 274 E HA -0.003 4.348 4.350 0.000 0.000 0.198 274 E C 2.005 178.619 176.600 0.022 0.000 1.046 274 E CA 0.796 57.209 56.400 0.023 0.000 0.870 274 E CB -1.193 28.519 29.700 0.020 0.000 0.818 274 E HN 0.221 nan 8.360 nan 0.000 0.527 275 G N -0.098 108.716 108.800 0.022 0.000 2.920 275 G HA2 -0.067 3.893 3.960 0.000 0.000 0.208 275 G HA3 -0.067 3.893 3.960 0.000 0.000 0.208 275 G C 1.330 176.244 174.900 0.023 0.000 1.159 275 G CA -0.133 44.980 45.100 0.021 0.000 0.784 275 G HN 0.208 nan 8.290 nan 0.000 0.535 276 I N 1.078 121.663 120.570 0.026 0.000 2.226 276 I HA -0.086 4.084 4.170 0.000 0.000 0.245 276 I C -0.143 175.991 176.117 0.028 0.000 1.100 276 I CA 0.807 62.124 61.300 0.028 0.000 1.374 276 I CB -0.598 37.420 38.000 0.031 0.000 1.057 276 I HN 0.091 nan 8.210 nan 0.000 0.413 277 P HA -0.161 nan 4.420 nan 0.000 0.215 277 P C 1.007 178.327 177.300 0.034 0.000 1.153 277 P CA 1.483 64.605 63.100 0.035 0.000 0.853 277 P CB -0.037 31.685 31.700 0.036 0.000 0.788 278 D N -0.780 119.636 120.400 0.027 0.000 2.144 278 D HA -0.121 4.519 4.640 0.000 0.000 0.199 278 D C 1.991 178.298 176.300 0.012 0.000 0.984 278 D CA 1.521 55.533 54.000 0.020 0.000 0.834 278 D CB -0.771 40.038 40.800 0.015 0.000 0.955 278 D HN 0.061 nan 8.370 nan 0.000 0.465 279 A N 0.719 123.547 122.820 0.013 0.000 1.933 279 A HA -0.147 4.174 4.320 0.000 0.000 0.218 279 A C 2.546 180.132 177.584 0.003 0.000 1.175 279 A CA 1.163 53.205 52.037 0.007 0.000 0.628 279 A CB -0.748 18.262 19.000 0.016 0.000 0.814 279 A HN 0.147 nan 8.150 nan 0.000 0.444 280 V N 0.447 120.370 119.914 0.015 0.000 2.332 280 V HA -0.244 3.876 4.120 0.000 0.000 0.248 280 V C 2.572 178.675 176.094 0.016 0.000 1.055 280 V CA 2.187 64.498 62.300 0.019 0.000 1.038 280 V CB -0.724 31.123 31.823 0.039 0.000 0.651 280 V HN 0.539 nan 8.190 nan 0.000 0.450 281 E N -0.031 120.183 120.200 0.022 0.000 2.077 281 E HA -0.260 4.090 4.350 0.000 0.000 0.193 281 E C 2.185 178.758 176.600 -0.046 0.000 0.989 281 E CA 1.575 57.983 56.400 0.013 0.000 0.800 281 E CB -0.245 29.472 29.700 0.028 0.000 0.746 281 E HN 0.713 nan 8.360 nan 0.000 0.452 282 E N 0.990 121.157 120.200 -0.055 0.000 2.077 282 E HA -0.104 4.246 4.350 0.000 0.000 0.193 282 E C 2.205 178.745 176.600 -0.100 0.000 0.989 282 E CA 0.733 57.076 56.400 -0.096 0.000 0.800 282 E CB -0.281 29.375 29.700 -0.075 0.000 0.746 282 E HN 0.181 nan 8.360 nan 0.000 0.452 283 L N -0.043 121.142 121.223 -0.063 0.000 2.046 283 L HA -0.159 4.181 4.340 0.000 0.000 0.208 283 L C 2.520 179.340 176.870 -0.083 0.000 1.077 283 L CA 0.888 55.692 54.840 -0.060 0.000 0.747 283 L CB -0.414 41.623 42.059 -0.035 0.000 0.896 283 L HN 0.222 nan 8.230 nan 0.000 0.432 284 L N -0.571 120.599 121.223 -0.088 0.000 2.083 284 L HA -0.228 4.113 4.340 0.000 0.000 0.209 284 L C 2.858 179.625 176.870 -0.172 0.000 1.083 284 L CA 1.186 55.941 54.840 -0.142 0.000 0.752 284 L CB -0.466 41.502 42.059 -0.152 0.000 0.899 284 L HN 0.247 nan 8.230 nan 0.000 0.433 285 R N 0.429 120.828 120.500 -0.168 0.000 2.073 285 R HA -0.174 4.166 4.340 0.000 0.000 0.234 285 R C 2.261 178.442 176.300 -0.200 0.000 1.134 285 R CA 1.564 57.540 56.100 -0.206 0.000 0.952 285 R CB -0.186 29.931 30.300 -0.305 0.000 0.850 285 R HN 0.309 nan 8.270 nan 0.000 0.433 286 L N -0.148 120.955 121.223 -0.199 0.000 2.179 286 L HA -0.055 4.285 4.340 0.000 0.000 0.208 286 L C 2.535 179.298 176.870 -0.179 0.000 1.096 286 L CA 1.440 56.134 54.840 -0.243 0.000 0.779 286 L CB -0.241 41.686 42.059 -0.219 0.000 0.922 286 L HN 0.432 nan 8.230 nan 0.000 0.443 287 T N -4.937 109.569 114.554 -0.080 0.000 2.937 287 T HA -0.022 4.328 4.350 0.000 0.000 0.260 287 T C 1.100 175.816 174.700 0.026 0.000 1.051 287 T CA 0.465 62.572 62.100 0.011 0.000 1.141 287 T CB -0.211 68.663 68.868 0.008 0.000 0.879 287 T HN 0.145 nan 8.240 nan 0.000 0.459 288 S N 3.003 118.680 115.700 -0.038 0.000 3.280 288 S HA -0.080 4.391 4.470 0.000 0.000 0.349 288 S C -1.521 173.088 174.600 0.014 0.000 0.936 288 S CA 0.418 58.605 58.200 -0.021 0.000 1.301 288 S CB -1.108 62.133 63.200 0.067 0.000 0.907 288 S HN 0.498 nan 8.310 nan 0.000 0.516 289 P HA -0.081 nan 4.420 nan 0.000 0.216 289 P C 0.484 177.782 177.300 -0.004 0.000 1.153 289 P CA 0.805 63.883 63.100 -0.037 0.000 0.858 289 P CB 0.102 31.777 31.700 -0.041 0.000 0.789 290 V N 2.073 122.018 119.914 0.051 0.000 2.352 290 V HA 0.006 4.126 4.120 0.000 0.000 0.253 290 V C 1.584 177.830 176.094 0.253 0.000 1.083 290 V CA 0.473 62.870 62.300 0.162 0.000 0.993 290 V CB 0.278 32.221 31.823 0.199 0.000 1.111 290 V HN 0.115 nan 8.190 nan 0.000 0.490 291 Q N 3.102 123.049 119.800 0.245 0.000 2.245 291 Q HA 0.154 4.494 4.340 0.000 0.000 0.201 291 Q C 0.981 177.136 176.000 0.258 0.000 0.955 291 Q CA 0.924 56.917 55.803 0.315 0.000 0.870 291 Q CB 0.821 29.827 28.738 0.448 0.000 0.945 291 Q HN 0.877 nan 8.270 nan 0.000 0.461 292 G N -0.410 108.531 108.800 0.235 0.000 2.703 292 G HA2 0.579 4.539 3.960 0.000 0.000 0.294 292 G HA3 0.579 4.539 3.960 0.000 0.000 0.294 292 G C -1.716 173.255 174.900 0.119 0.000 1.451 292 G CA -0.606 44.508 45.100 0.023 0.000 0.869 292 G HN 0.027 nan 8.290 nan 0.000 0.516 293 L N 0.159 121.287 121.223 -0.157 0.000 2.424 293 L HA 0.816 5.156 4.340 0.000 0.000 0.258 293 L C 0.365 177.147 176.870 -0.147 0.000 0.995 293 L CA -1.141 53.651 54.840 -0.082 0.000 0.821 293 L CB 2.322 44.365 42.059 -0.027 0.000 1.383 293 L HN 0.830 nan 8.230 nan 0.000 0.410 294 A N 1.682 124.421 122.820 -0.135 0.000 2.256 294 A HA 0.936 5.256 4.320 0.000 0.000 0.318 294 A C -0.712 176.819 177.584 -0.088 0.000 1.103 294 A CA -0.547 51.425 52.037 -0.108 0.000 0.860 294 A CB 1.159 20.084 19.000 -0.126 0.000 1.182 294 A HN 0.638 nan 8.150 nan 0.000 0.501 295 R N -0.679 119.807 120.500 -0.023 0.000 2.888 295 R HA 0.680 5.020 4.340 0.000 0.000 0.264 295 R C -1.329 175.013 176.300 0.071 0.000 1.045 295 R CA -0.518 55.607 56.100 0.042 0.000 0.962 295 R CB 1.496 31.887 30.300 0.151 0.000 1.210 295 R HN 0.706 nan 8.270 nan 0.000 0.479 296 T N 1.255 115.853 114.554 0.073 0.000 2.792 296 T HA 0.277 4.627 4.350 0.000 0.000 0.280 296 T C -0.197 174.527 174.700 0.041 0.000 0.990 296 T CA -0.645 61.494 62.100 0.065 0.000 0.960 296 T CB 1.440 70.329 68.868 0.036 0.000 0.939 296 T HN 0.613 nan 8.240 nan 0.000 0.439 297 T N 0.118 114.678 114.554 0.010 0.000 2.916 297 T HA 0.208 4.558 4.350 0.000 0.000 0.303 297 T C 1.470 176.099 174.700 -0.118 0.000 1.025 297 T CA -0.342 61.668 62.100 -0.151 0.000 1.142 297 T CB 0.718 69.477 68.868 -0.182 0.000 0.947 297 T HN 0.693 nan 8.240 nan 0.000 0.544 298 T N -0.735 113.717 114.554 -0.171 0.000 3.022 298 T HA 0.211 4.561 4.350 0.000 0.000 0.250 298 T C 0.610 175.239 174.700 -0.117 0.000 1.060 298 T CA -0.525 61.509 62.100 -0.111 0.000 1.013 298 T CB -0.138 68.671 68.868 -0.098 0.000 0.982 298 T HN 0.963 nan 8.240 nan 0.000 0.508 299 R N -0.203 120.197 120.500 -0.167 0.000 2.764 299 R HA 0.584 4.924 4.340 0.000 0.000 0.270 299 R C -2.072 174.127 176.300 -0.167 0.000 1.014 299 R CA -0.996 55.017 56.100 -0.144 0.000 0.904 299 R CB 0.419 30.633 30.300 -0.143 0.000 1.236 299 R HN -0.183 nan 8.270 nan 0.000 0.466 300 D N 0.988 121.310 120.400 -0.130 0.000 2.455 300 D HA 0.220 4.860 4.640 0.000 0.000 0.241 300 D C -0.727 175.481 176.300 -0.153 0.000 1.138 300 D CA 0.165 54.084 54.000 -0.134 0.000 0.877 300 D CB 1.592 42.333 40.800 -0.098 0.000 1.187 300 D HN 0.313 nan 8.370 nan 0.000 0.451 301 V N 2.136 121.949 119.914 -0.168 0.000 2.686 301 V HA 0.381 4.502 4.120 0.000 0.000 0.306 301 V C -0.765 175.273 176.094 -0.093 0.000 1.065 301 V CA -0.408 61.809 62.300 -0.139 0.000 0.894 301 V CB 2.294 33.993 31.823 -0.206 0.000 1.004 301 V HN 0.540 nan 8.190 nan 0.000 0.424 302 T N 8.246 122.768 114.554 -0.053 0.000 2.767 302 T HA 0.642 4.992 4.350 0.000 0.000 0.284 302 T C -0.341 174.360 174.700 0.000 0.000 0.973 302 T CA 0.026 62.105 62.100 -0.036 0.000 0.996 302 T CB 0.717 69.567 68.868 -0.030 0.000 0.927 302 T HN 0.539 nan 8.240 nan 0.000 0.456 303 I N 3.188 123.761 120.570 0.005 0.000 2.448 303 I HA 0.490 4.660 4.170 0.000 0.000 0.281 303 I C 1.102 177.233 176.117 0.023 0.000 1.027 303 I CA -0.403 60.914 61.300 0.029 0.000 1.111 303 I CB 1.000 39.028 38.000 0.047 0.000 1.236 303 I HN 0.899 nan 8.210 nan 0.000 0.452 304 G N 4.261 113.075 108.800 0.023 0.000 2.591 304 G HA2 -0.422 3.538 3.960 0.000 0.000 0.298 304 G HA3 -0.422 3.538 3.960 0.000 0.000 0.298 304 G C 0.562 175.473 174.900 0.019 0.000 1.195 304 G CA 0.659 45.773 45.100 0.023 0.000 0.989 304 G HN 0.673 nan 8.290 nan 0.000 0.551 305 D N 0.076 120.491 120.400 0.025 0.000 2.325 305 D HA 0.509 5.149 4.640 0.000 0.000 0.225 305 D C 0.931 177.243 176.300 0.021 0.000 1.096 305 D CA 1.632 55.645 54.000 0.023 0.000 0.844 305 D CB -0.057 40.761 40.800 0.030 0.000 0.925 305 D HN 0.736 nan 8.370 nan 0.000 0.513 306 T N -0.088 114.475 114.554 0.014 0.000 2.848 306 T HA 0.517 4.867 4.350 0.000 0.000 0.285 306 T C -0.397 174.271 174.700 -0.053 0.000 0.995 306 T CA -0.390 61.711 62.100 0.001 0.000 0.970 306 T CB 1.844 70.733 68.868 0.035 0.000 0.976 306 T HN 0.078 nan 8.240 nan 0.000 0.441 307 T N 3.795 118.298 114.554 -0.085 0.000 2.756 307 T HA 0.476 4.826 4.350 0.000 0.000 0.290 307 T C 0.374 174.906 174.700 -0.279 0.000 0.985 307 T CA -0.482 61.536 62.100 -0.137 0.000 0.955 307 T CB 0.120 68.934 68.868 -0.091 0.000 0.930 307 T HN 0.431 nan 8.240 nan 0.000 0.451 308 I N 6.106 126.444 120.570 -0.386 0.000 2.352 308 I HA 0.258 4.428 4.170 0.000 0.000 0.290 308 I C -2.086 173.825 176.117 -0.344 0.000 1.036 308 I CA -2.426 58.484 61.300 -0.649 0.000 1.336 308 I CB 0.891 38.522 38.000 -0.615 0.000 1.407 308 I HN 0.286 nan 8.210 nan 0.000 0.497 309 P HA 0.105 nan 4.420 nan 0.000 0.272 309 P C -0.416 176.823 177.300 -0.102 0.000 1.223 309 P CA -0.378 62.647 63.100 -0.125 0.000 0.784 309 P CB 0.603 32.273 31.700 -0.050 0.000 0.923 310 A N 2.178 124.946 122.820 -0.087 0.000 2.561 310 A HA 0.385 4.706 4.320 0.000 0.000 0.234 310 A C 1.451 179.021 177.584 -0.024 0.000 1.055 310 A CA 0.876 52.870 52.037 -0.071 0.000 0.756 310 A CB -1.508 17.453 19.000 -0.065 0.000 0.986 310 A HN 0.910 nan 8.150 nan 0.000 0.505 311 G N 1.175 109.975 108.800 -0.001 0.000 2.141 311 G HA2 -0.177 3.783 3.960 0.000 0.000 0.242 311 G HA3 -0.177 3.783 3.960 0.000 0.000 0.242 311 G C 0.212 175.187 174.900 0.126 0.000 0.982 311 G CA 0.340 45.466 45.100 0.044 0.000 0.662 311 G HN 0.821 nan 8.290 nan 0.000 0.527 312 R N -0.290 120.305 120.500 0.160 0.000 2.778 312 R HA 0.569 4.909 4.340 0.000 0.000 0.277 312 R C 0.312 176.790 176.300 0.296 0.000 0.977 312 R CA -0.986 55.305 56.100 0.319 0.000 0.950 312 R CB 0.877 31.378 30.300 0.335 0.000 1.165 312 R HN 0.143 nan 8.270 nan 0.000 0.474 313 R N 0.703 121.398 120.500 0.325 0.000 2.539 313 R HA 0.333 4.673 4.340 0.000 0.000 0.275 313 R C -0.420 176.035 176.300 0.259 0.000 1.077 313 R CA -0.437 55.737 56.100 0.123 0.000 1.097 313 R CB 0.730 30.912 30.300 -0.196 0.000 1.018 313 R HN 0.242 nan 8.270 nan 0.000 0.483 314 V N 4.404 124.431 119.914 0.188 0.000 2.443 314 V HA 0.182 4.302 4.120 0.000 0.000 0.293 314 V C -0.443 175.704 176.094 0.089 0.000 1.021 314 V CA -0.949 61.478 62.300 0.212 0.000 0.848 314 V CB 1.710 33.676 31.823 0.238 0.000 0.998 314 V HN 0.479 nan 8.190 nan 0.000 0.424 315 L N 6.657 127.944 121.223 0.107 0.000 2.315 315 L HA 0.446 4.786 4.340 0.000 0.000 0.283 315 L C -0.282 176.542 176.870 -0.076 0.000 1.089 315 L CA 0.352 55.206 54.840 0.024 0.000 0.833 315 L CB 0.527 42.651 42.059 0.108 0.000 1.170 315 L HN 0.536 nan 8.230 nan 0.000 0.442 316 L N 7.100 128.197 121.223 -0.210 0.000 2.268 316 L HA 0.249 4.590 4.340 0.000 0.000 0.289 316 L C -0.117 176.484 176.870 -0.449 0.000 1.064 316 L CA -0.277 54.357 54.840 -0.343 0.000 0.824 316 L CB 0.388 42.165 42.059 -0.470 0.000 1.202 316 L HN 0.548 nan 8.230 nan 0.000 0.433 317 L N 4.654 125.727 121.223 -0.250 0.000 2.395 317 L HA 0.055 4.395 4.340 0.000 0.000 0.268 317 L C 0.786 177.590 176.870 -0.110 0.000 1.223 317 L CA -0.314 54.398 54.840 -0.213 0.000 1.093 317 L CB -0.184 41.718 42.059 -0.262 0.000 1.349 317 L HN 0.586 nan 8.230 nan 0.000 0.427 318 Y N 1.724 122.030 120.300 0.010 0.000 2.151 318 Y HA -0.222 4.328 4.550 0.000 0.000 0.284 318 Y C 2.354 178.282 175.900 0.047 0.000 1.166 318 Y CA 1.251 59.372 58.100 0.036 0.000 1.163 318 Y CB -0.940 37.549 38.460 0.048 0.000 0.974 318 Y HN 0.555 nan 8.280 nan 0.000 0.511 319 G N -1.654 107.276 108.800 0.218 0.000 2.432 319 G HA2 -0.262 3.698 3.960 0.000 0.000 0.219 319 G HA3 -0.262 3.698 3.960 0.000 0.000 0.219 319 G C 2.014 177.035 174.900 0.202 0.000 1.135 319 G CA 1.276 46.537 45.100 0.269 0.000 0.767 319 G HN 0.445 nan 8.290 nan 0.000 0.550 320 S N 0.461 116.089 115.700 -0.119 0.000 2.377 320 S HA 0.200 4.670 4.470 0.000 0.000 0.223 320 S C 2.749 177.410 174.600 0.101 0.000 1.030 320 S CA 1.331 59.490 58.200 -0.069 0.000 0.970 320 S CB -0.420 62.556 63.200 -0.372 0.000 0.830 320 S HN 0.505 nan 8.310 nan 0.000 0.473 321 A N 2.272 125.160 122.820 0.113 0.000 1.908 321 A HA -0.126 4.195 4.320 0.000 0.000 0.218 321 A C 1.960 179.768 177.584 0.372 0.000 1.181 321 A CA 1.836 54.007 52.037 0.223 0.000 0.627 321 A CB -0.939 18.175 19.000 0.190 0.000 0.818 321 A HN 0.605 nan 8.150 nan 0.000 0.445 322 N N -0.513 118.360 118.700 0.288 0.000 2.453 322 N HA -0.062 4.678 4.740 0.000 0.000 0.183 322 N C 1.219 176.790 175.510 0.103 0.000 1.041 322 N CA 0.809 53.989 53.050 0.215 0.000 0.900 322 N CB -0.188 38.331 38.487 0.053 0.000 0.961 322 N HN 0.531 nan 8.380 nan 0.000 0.443 323 R N -0.090 120.502 120.500 0.153 0.000 2.509 323 R HA 0.112 4.453 4.340 0.000 0.000 0.300 323 R C -0.508 175.895 176.300 0.172 0.000 0.985 323 R CA -0.318 55.840 56.100 0.097 0.000 1.092 323 R CB 0.465 30.793 30.300 0.047 0.000 1.237 323 R HN -0.009 nan 8.270 nan 0.000 0.546 324 D N 1.073 121.615 120.400 0.236 0.000 2.339 324 D HA -0.010 4.630 4.640 0.000 0.000 0.256 324 D C 0.494 176.842 176.300 0.080 0.000 1.214 324 D CA 0.165 54.248 54.000 0.138 0.000 0.877 324 D CB 1.210 42.083 40.800 0.122 0.000 1.111 324 D HN -0.029 nan 8.370 nan 0.000 0.478 325 E N 2.516 122.747 120.200 0.051 0.000 2.209 325 E HA -0.157 4.193 4.350 0.000 0.000 0.196 325 E C 1.745 178.317 176.600 -0.046 0.000 0.993 325 E CA 0.988 57.398 56.400 0.017 0.000 0.819 325 E CB 0.092 29.802 29.700 0.016 0.000 0.745 325 E HN 0.465 nan 8.360 nan 0.000 0.477 326 R N -0.258 120.202 120.500 -0.066 0.000 2.152 326 R HA -0.136 4.204 4.340 0.000 0.000 0.232 326 R C 2.083 178.250 176.300 -0.223 0.000 1.117 326 R CA 1.316 57.351 56.100 -0.108 0.000 0.981 326 R CB -0.034 30.223 30.300 -0.073 0.000 0.870 326 R HN 0.088 nan 8.270 nan 0.000 0.451 327 Q N -0.913 118.664 119.800 -0.373 0.000 2.390 327 Q HA 0.018 4.358 4.340 0.000 0.000 0.216 327 Q C 0.473 175.987 176.000 -0.810 0.000 0.916 327 Q CA 1.160 56.502 55.803 -0.768 0.000 0.911 327 Q CB 0.452 28.371 28.738 -1.364 0.000 1.035 327 Q HN 0.423 nan 8.270 nan 0.000 0.541 328 Y N -0.651 119.548 120.300 -0.167 0.000 2.557 328 Y HA 0.537 5.087 4.550 0.000 0.000 0.247 328 Y C 0.729 176.575 175.900 -0.089 0.000 1.164 328 Y CA -0.193 57.829 58.100 -0.131 0.000 1.218 328 Y CB 1.181 39.568 38.460 -0.121 0.000 1.210 328 Y HN 0.183 nan 8.280 nan 0.000 0.529 329 G N 1.211 110.011 108.800 0.000 0.000 2.795 329 G HA2 -0.220 3.741 3.960 0.000 0.000 0.664 329 G HA3 -0.220 3.741 3.960 0.000 0.000 0.664 329 G C -2.298 172.610 174.900 0.014 0.000 1.381 329 G CA -0.730 44.368 45.100 -0.003 0.000 0.853 329 G HN 0.043 nan 8.290 nan 0.000 0.545 330 P HA 0.101 nan 4.420 nan 0.000 0.225 330 P C 0.658 177.965 177.300 0.012 0.000 1.148 330 P CA 1.352 64.458 63.100 0.009 0.000 0.779 330 P CB 0.165 31.868 31.700 0.005 0.000 0.780 331 D N -1.197 119.209 120.400 0.010 0.000 2.491 331 D HA 0.210 4.850 4.640 0.000 0.000 0.228 331 D C 1.533 177.829 176.300 -0.007 0.000 1.183 331 D CA -0.047 53.954 54.000 0.001 0.000 0.827 331 D CB -0.063 40.735 40.800 -0.004 0.000 0.989 331 D HN 0.003 nan 8.370 nan 0.000 0.494 332 A N 0.773 123.600 122.820 0.013 0.000 2.032 332 A HA -0.153 4.167 4.320 0.000 0.000 0.221 332 A C 2.169 179.712 177.584 -0.068 0.000 1.165 332 A CA 1.776 53.818 52.037 0.008 0.000 0.645 332 A CB -0.136 18.915 19.000 0.085 0.000 0.807 332 A HN 0.281 nan 8.150 nan 0.000 0.453 333 A N -0.730 122.054 122.820 -0.061 0.000 2.167 333 A HA 0.145 4.465 4.320 0.000 0.000 0.214 333 A C 0.762 178.272 177.584 -0.125 0.000 1.151 333 A CA 0.269 52.236 52.037 -0.117 0.000 0.735 333 A CB -0.071 18.895 19.000 -0.056 0.000 0.802 333 A HN 0.640 nan 8.150 nan 0.000 0.467 334 E N -0.834 119.316 120.200 -0.084 0.000 2.222 334 E HA 0.440 4.790 4.350 0.000 0.000 0.272 334 E C -1.145 175.409 176.600 -0.077 0.000 0.982 334 E CA -1.048 55.313 56.400 -0.064 0.000 0.842 334 E CB 1.626 31.306 29.700 -0.034 0.000 1.144 334 E HN 0.210 nan 8.360 nan 0.000 0.397 335 L N 2.615 123.803 121.223 -0.057 0.000 2.418 335 L HA 0.137 4.478 4.340 0.000 0.000 0.274 335 L C -0.776 176.071 176.870 -0.038 0.000 1.135 335 L CA 0.551 55.360 54.840 -0.051 0.000 0.870 335 L CB 0.194 42.239 42.059 -0.024 0.000 1.154 335 L HN 0.391 nan 8.230 nan 0.000 0.462 336 D N 3.338 123.710 120.400 -0.047 0.000 2.421 336 D HA 0.143 4.783 4.640 0.000 0.000 0.254 336 D C 0.762 177.044 176.300 -0.030 0.000 1.238 336 D CA -0.286 53.695 54.000 -0.032 0.000 0.919 336 D CB 1.357 42.139 40.800 -0.030 0.000 1.152 336 D HN 0.333 nan 8.370 nan 0.000 0.552 337 V N 1.913 121.817 119.914 -0.016 0.000 3.078 337 V HA -0.015 4.105 4.120 0.000 0.000 0.265 337 V C 1.446 177.536 176.094 -0.007 0.000 1.122 337 V CA 1.875 64.169 62.300 -0.010 0.000 1.141 337 V CB -1.114 30.711 31.823 0.004 0.000 0.735 337 V HN 0.641 nan 8.190 nan 0.000 0.498 338 T N -3.070 111.480 114.554 -0.007 0.000 3.105 338 T HA 0.160 4.511 4.350 0.000 0.000 0.253 338 T C 1.713 176.410 174.700 -0.006 0.000 1.047 338 T CA 0.417 62.515 62.100 -0.003 0.000 0.944 338 T CB -0.214 68.654 68.868 -0.000 0.000 1.016 338 T HN 0.508 nan 8.240 nan 0.000 0.544 339 R N 0.639 121.130 120.500 -0.015 0.000 2.105 339 R HA -0.044 4.296 4.340 0.000 0.000 0.239 339 R C 0.375 176.672 176.300 -0.005 0.000 1.135 339 R CA 1.212 57.303 56.100 -0.015 0.000 0.967 339 R CB -0.954 29.324 30.300 -0.037 0.000 0.861 339 R HN 0.514 nan 8.270 nan 0.000 0.442 340 C N 1.077 120.373 119.300 -0.007 0.000 3.896 340 C HA -0.067 4.393 4.460 0.000 0.000 0.300 340 C C -2.161 172.836 174.990 0.013 0.000 1.322 340 C CA -0.671 58.349 59.018 0.004 0.000 2.130 340 C CB -2.103 25.644 27.740 0.010 0.000 1.363 340 C HN 0.477 nan 8.230 nan 0.000 0.642 341 P HA 0.277 nan 4.420 nan 0.000 0.268 341 P C 0.158 177.504 177.300 0.076 0.000 1.204 341 P CA 0.801 63.921 63.100 0.033 0.000 0.768 341 P CB 0.610 32.211 31.700 -0.165 0.000 0.842 342 R N 2.285 122.858 120.500 0.121 0.000 2.787 342 R HA 0.291 4.631 4.340 0.000 0.000 0.271 342 R C 0.388 176.699 176.300 0.019 0.000 0.993 342 R CA -0.929 55.200 56.100 0.049 0.000 0.993 342 R CB 0.157 30.448 30.300 -0.015 0.000 1.155 342 R HN 0.436 nan 8.270 nan 0.000 0.486 343 N N 0.383 119.064 118.700 -0.032 0.000 2.740 343 N HA -0.183 4.558 4.740 0.000 0.000 0.248 343 N C 0.069 175.654 175.510 0.124 0.000 1.062 343 N CA 0.874 53.789 53.050 -0.224 0.000 0.704 343 N CB -1.614 36.319 38.487 -0.924 0.000 0.968 343 N HN 0.660 nan 8.380 nan 0.000 0.547 344 I N -3.603 117.111 120.570 0.240 0.000 2.892 344 I HA 0.013 4.184 4.170 0.000 0.000 0.287 344 I C 1.065 177.364 176.117 0.303 0.000 1.205 344 I CA -0.188 61.261 61.300 0.249 0.000 1.409 344 I CB 0.430 38.477 38.000 0.078 0.000 1.367 344 I HN -0.131 nan 8.210 nan 0.000 0.597 345 L N 4.125 125.473 121.223 0.209 0.000 2.667 345 L HA 0.103 4.443 4.340 0.000 0.000 0.232 345 L C 1.968 178.718 176.870 -0.201 0.000 1.138 345 L CA 0.590 55.485 54.840 0.092 0.000 0.921 345 L CB -1.002 41.168 42.059 0.185 0.000 1.180 345 L HN 0.870 nan 8.230 nan 0.000 0.487 346 T N 0.023 114.448 114.554 -0.216 0.000 2.803 346 T HA -0.147 4.203 4.350 0.000 0.000 0.269 346 T C 1.102 175.426 174.700 -0.627 0.000 1.052 346 T CA 1.501 63.321 62.100 -0.467 0.000 1.136 346 T CB -0.211 68.263 68.868 -0.657 0.000 0.864 346 T HN 0.124 nan 8.240 nan 0.000 0.467 347 F N 1.124 120.969 119.950 -0.175 0.000 2.684 347 F HA 0.549 5.076 4.527 0.000 0.000 0.298 347 F C 1.211 176.804 175.800 -0.345 0.000 1.120 347 F CA -0.695 57.130 58.000 -0.292 0.000 1.332 347 F CB -0.825 37.939 39.000 -0.393 0.000 0.986 347 F HN 0.011 nan 8.300 nan 0.000 0.524 348 S N 0.438 115.918 115.700 -0.368 0.000 3.307 348 S HA -0.315 4.156 4.470 0.000 0.000 0.634 348 S C -0.777 173.865 174.600 0.069 0.000 2.711 348 S CA 0.968 58.947 58.200 -0.368 0.000 2.940 348 S CB -0.585 62.469 63.200 -0.243 0.000 0.331 348 S HN 0.739 nan 8.310 nan 0.000 1.766 349 H N -0.151 118.861 119.070 -0.096 0.000 3.123 349 H HA 0.570 5.127 4.556 0.001 0.000 0.346 349 H C -0.026 175.194 175.328 -0.179 0.000 1.138 349 H CA 1.574 57.485 56.048 -0.229 0.000 1.273 349 H CB 0.852 30.137 29.762 -0.796 0.000 1.926 349 H HN 1.914 nan 8.280 nan 0.000 0.524 350 G N 1.706 110.101 108.800 -0.676 0.000 2.482 350 G HA2 0.087 4.047 3.960 0.000 0.000 0.214 350 G HA3 0.087 4.047 3.960 0.000 0.000 0.214 350 G C 1.089 175.887 174.900 -0.170 0.000 1.271 350 G CA 0.510 45.332 45.100 -0.464 0.000 0.944 350 G HN 1.375 nan 8.290 nan 0.000 0.568 351 A N -1.428 121.310 122.820 -0.136 0.000 1.917 351 A HA -0.084 4.236 4.320 0.000 0.000 0.219 351 A C 1.724 179.176 177.584 -0.221 0.000 1.182 351 A CA 2.504 54.414 52.037 -0.211 0.000 0.633 351 A CB -0.650 18.084 19.000 -0.443 0.000 0.819 351 A HN 0.866 nan 8.150 nan 0.000 0.448 352 H N -1.704 117.323 119.070 -0.071 0.000 2.517 352 H HA 0.051 4.608 4.556 0.000 0.000 0.282 352 H C 0.221 175.560 175.328 0.018 0.000 1.023 352 H CA -0.159 55.872 56.048 -0.029 0.000 1.169 352 H CB -0.433 29.276 29.762 -0.090 0.000 1.454 352 H HN 0.652 nan 8.280 nan 0.000 0.556 353 H N 1.352 120.432 119.070 0.018 0.000 3.173 353 H HA -0.121 4.436 4.556 0.000 0.000 0.311 353 H C 0.097 175.419 175.328 -0.011 0.000 0.972 353 H CA 0.279 56.331 56.048 0.008 0.000 1.384 353 H CB 0.517 30.269 29.762 -0.016 0.000 1.349 353 H HN 0.301 nan 8.280 nan 0.000 0.582 354 C N 7.021 126.020 119.300 -0.502 0.000 2.419 354 C HA -0.064 4.397 4.460 0.000 0.000 0.398 354 C C 2.184 176.949 174.990 -0.376 0.000 1.498 354 C CA -0.307 58.505 59.018 -0.344 0.000 1.494 354 C CB -1.746 25.842 27.740 -0.253 0.000 2.485 354 C HN 0.901 nan 8.230 nan 0.000 0.608 355 L N 4.964 125.982 121.223 -0.342 0.000 2.201 355 L HA 0.044 4.384 4.340 0.000 0.000 0.212 355 L C 2.427 178.993 176.870 -0.507 0.000 1.105 355 L CA 1.621 56.123 54.840 -0.562 0.000 0.775 355 L CB -0.352 41.080 42.059 -1.045 0.000 0.913 355 L HN 0.981 nan 8.230 nan 0.000 0.440 356 G N -1.520 107.057 108.800 -0.372 0.000 3.233 356 G HA2 0.166 4.126 3.960 0.000 0.000 0.227 356 G HA3 0.166 4.126 3.960 0.000 0.000 0.227 356 G C 1.537 176.236 174.900 -0.335 0.000 1.175 356 G CA 0.504 45.449 45.100 -0.259 0.000 0.781 356 G HN 0.368 nan 8.290 nan 0.000 0.542 357 A N 1.241 123.720 122.820 -0.569 0.000 1.883 357 A HA 0.135 4.455 4.320 0.000 0.000 0.217 357 A C 2.763 180.053 177.584 -0.491 0.000 1.186 357 A CA 2.241 53.633 52.037 -1.075 0.000 0.624 357 A CB -0.648 17.605 19.000 -1.246 0.000 0.822 357 A HN 0.702 nan 8.150 nan 0.000 0.444 358 A N -0.361 122.330 122.820 -0.215 0.000 1.898 358 A HA 0.201 4.522 4.320 0.000 0.000 0.216 358 A C 2.503 180.093 177.584 0.010 0.000 1.181 358 A CA 2.001 54.011 52.037 -0.045 0.000 0.620 358 A CB -0.989 18.036 19.000 0.043 0.000 0.819 358 A HN 1.086 nan 8.150 nan 0.000 0.442 359 A N -0.111 122.715 122.820 0.010 0.000 1.933 359 A HA 0.155 4.475 4.320 0.000 0.000 0.218 359 A C 2.482 180.087 177.584 0.035 0.000 1.175 359 A CA 2.088 54.160 52.037 0.059 0.000 0.628 359 A CB -0.932 18.046 19.000 -0.036 0.000 0.814 359 A HN 1.000 nan 8.150 nan 0.000 0.444 360 A N -0.228 122.590 122.820 -0.004 0.000 1.873 360 A HA -0.122 4.198 4.320 0.000 0.000 0.215 360 A C 2.225 179.866 177.584 0.096 0.000 1.186 360 A CA 1.461 53.540 52.037 0.070 0.000 0.616 360 A CB -0.454 18.655 19.000 0.182 0.000 0.823 360 A HN 0.531 nan 8.150 nan 0.000 0.442 361 R N -1.190 119.365 120.500 0.092 0.000 2.091 361 R HA -0.136 4.204 4.340 0.000 0.000 0.238 361 R C 2.353 178.693 176.300 0.067 0.000 1.136 361 R CA 1.650 57.809 56.100 0.099 0.000 0.959 361 R CB -0.398 29.956 30.300 0.089 0.000 0.856 361 R HN 0.591 nan 8.270 nan 0.000 0.437 362 M N 1.139 120.775 119.600 0.061 0.000 2.117 362 M HA -0.215 4.265 4.480 0.000 0.000 0.262 362 M C 1.732 178.064 176.300 0.054 0.000 1.065 362 M CA 1.882 57.218 55.300 0.060 0.000 1.114 362 M CB -0.307 32.336 32.600 0.071 0.000 1.361 362 M HN 0.178 nan 8.290 nan 0.000 0.408 363 Q N -0.954 118.878 119.800 0.053 0.000 2.084 363 Q HA -0.222 4.118 4.340 0.000 0.000 0.202 363 Q C 2.391 178.404 176.000 0.021 0.000 0.978 363 Q CA 1.903 57.733 55.803 0.044 0.000 0.844 363 Q CB -0.421 28.341 28.738 0.040 0.000 0.898 363 Q HN 0.665 nan 8.270 nan 0.000 0.426 364 C N 0.662 119.970 119.300 0.013 0.000 2.429 364 C HA -0.140 4.321 4.460 0.000 0.000 0.277 364 C C 2.813 177.806 174.990 0.005 0.000 1.262 364 C CA 0.930 59.941 59.018 -0.013 0.000 1.733 364 C CB -0.768 26.972 27.740 -0.000 0.000 2.010 364 C HN 0.481 nan 8.230 nan 0.000 0.483 365 R N -0.007 120.509 120.500 0.026 0.000 2.073 365 R HA -0.111 4.229 4.340 0.000 0.000 0.234 365 R C 2.010 178.328 176.300 0.031 0.000 1.134 365 R CA 2.395 58.514 56.100 0.031 0.000 0.952 365 R CB -0.404 29.919 30.300 0.039 0.000 0.850 365 R HN 0.424 nan 8.270 nan 0.000 0.433 366 V N 1.171 121.107 119.914 0.037 0.000 2.307 366 V HA -0.201 3.919 4.120 0.000 0.000 0.245 366 V C 2.539 178.657 176.094 0.040 0.000 1.045 366 V CA 1.894 64.220 62.300 0.042 0.000 1.024 366 V CB -0.791 31.064 31.823 0.053 0.000 0.651 366 V HN 0.585 nan 8.190 nan 0.000 0.449 367 A N -0.111 122.732 122.820 0.039 0.000 1.877 367 A HA -0.205 4.116 4.320 0.000 0.000 0.216 367 A C 2.170 179.768 177.584 0.023 0.000 1.186 367 A CA 2.144 54.208 52.037 0.044 0.000 0.620 367 A CB -0.610 18.411 19.000 0.036 0.000 0.822 367 A HN 0.441 nan 8.150 nan 0.000 0.443 368 L N -0.200 121.029 121.223 0.009 0.000 2.046 368 L HA -0.096 4.244 4.340 0.000 0.000 0.208 368 L C 2.443 179.330 176.870 0.028 0.000 1.077 368 L CA 2.800 57.648 54.840 0.013 0.000 0.747 368 L CB -1.195 40.872 42.059 0.015 0.000 0.896 368 L HN 0.378 nan 8.230 nan 0.000 0.432 369 T N -0.355 114.217 114.554 0.030 0.000 2.684 369 T HA -0.144 4.206 4.350 0.000 0.000 0.267 369 T C 1.682 176.403 174.700 0.034 0.000 1.036 369 T CA 1.655 63.776 62.100 0.034 0.000 1.148 369 T CB -0.167 68.721 68.868 0.033 0.000 0.863 369 T HN 0.358 nan 8.240 nan 0.000 0.436 370 E N 0.656 120.874 120.200 0.029 0.000 2.158 370 E HA 0.073 4.424 4.350 0.000 0.000 0.191 370 E C 2.174 178.787 176.600 0.022 0.000 0.982 370 E CA 0.244 56.659 56.400 0.025 0.000 0.823 370 E CB -0.520 29.191 29.700 0.019 0.000 0.766 370 E HN 0.316 nan 8.360 nan 0.000 0.468 371 L N 0.862 122.091 121.223 0.009 0.000 1.989 371 L HA -0.159 4.181 4.340 0.000 0.000 0.211 371 L C 2.213 179.112 176.870 0.047 0.000 1.071 371 L CA 1.516 56.348 54.840 -0.013 0.000 0.749 371 L CB -0.500 41.505 42.059 -0.089 0.000 0.890 371 L HN 0.057 nan 8.230 nan 0.000 0.431 372 L N -0.852 120.412 121.223 0.068 0.000 2.093 372 L HA -0.141 4.199 4.340 0.000 0.000 0.208 372 L C 2.606 179.529 176.870 0.087 0.000 1.085 372 L CA 1.068 55.972 54.840 0.106 0.000 0.755 372 L CB -0.866 41.250 42.059 0.094 0.000 0.904 372 L HN 0.377 nan 8.230 nan 0.000 0.435 373 A N -0.133 122.724 122.820 0.062 0.000 1.968 373 A HA -0.095 4.225 4.320 0.000 0.000 0.217 373 A C 2.351 179.967 177.584 0.052 0.000 1.169 373 A CA 1.188 53.256 52.037 0.051 0.000 0.638 373 A CB -0.182 18.842 19.000 0.039 0.000 0.812 373 A HN 0.343 nan 8.150 nan 0.000 0.446 374 R N -2.689 117.843 120.500 0.054 0.000 2.287 374 R HA 0.181 4.521 4.340 0.000 0.000 0.197 374 R C -0.173 176.169 176.300 0.071 0.000 0.900 374 R CA 0.614 56.744 56.100 0.049 0.000 1.052 374 R CB 0.451 30.770 30.300 0.032 0.000 1.117 374 R HN 0.397 nan 8.270 nan 0.000 0.568 375 C N 1.707 121.069 119.300 0.104 0.000 3.114 375 C HA 0.284 4.744 4.460 0.000 0.000 0.215 375 C C -1.654 173.489 174.990 0.256 0.000 1.759 375 C CA -1.078 58.034 59.018 0.158 0.000 1.455 375 C CB 0.950 28.816 27.740 0.210 0.000 2.528 375 C HN 0.259 nan 8.230 nan 0.000 0.511 376 P HA -0.063 nan 4.420 nan 0.000 0.220 376 P C -0.086 177.391 177.300 0.295 0.000 1.148 376 P CA 1.599 64.857 63.100 0.264 0.000 0.803 376 P CB 0.197 31.984 31.700 0.146 0.000 0.782 377 D N 0.863 121.382 120.400 0.199 0.000 2.499 377 D HA 0.250 4.890 4.640 0.000 0.000 0.225 377 D C 0.001 176.373 176.300 0.119 0.000 1.124 377 D CA -0.217 53.842 54.000 0.099 0.000 0.938 377 D CB -0.188 40.636 40.800 0.039 0.000 1.014 377 D HN 0.185 nan 8.370 nan 0.000 0.517 378 F N -0.850 119.121 119.950 0.036 0.000 2.611 378 F HA 0.710 5.238 4.527 0.001 0.000 0.324 378 F C -0.396 175.407 175.800 0.005 0.000 1.061 378 F CA -1.010 56.956 58.000 -0.057 0.000 0.954 378 F CB 1.686 40.695 39.000 0.015 0.000 1.301 378 F HN -0.295 nan 8.300 nan 0.000 0.482 379 E N 1.431 121.589 120.200 -0.071 0.000 2.272 379 E HA 0.607 4.957 4.350 0.000 0.000 0.269 379 E C -1.507 174.958 176.600 -0.225 0.000 0.877 379 E CA -0.776 55.431 56.400 -0.322 0.000 0.755 379 E CB 2.769 32.353 29.700 -0.193 0.000 1.192 379 E HN 0.584 nan 8.360 nan 0.000 0.422 380 V N 1.106 120.696 119.914 -0.540 0.000 2.577 380 V HA 0.537 4.658 4.120 0.000 0.000 0.303 380 V C -0.546 175.451 176.094 -0.162 0.000 1.042 380 V CA -0.898 61.316 62.300 -0.142 0.000 0.872 380 V CB 1.869 33.745 31.823 0.088 0.000 0.998 380 V HN 0.758 nan 8.190 nan 0.000 0.423 381 A N 2.896 125.691 122.820 -0.043 0.000 2.478 381 A HA 0.430 4.750 4.320 0.000 0.000 0.327 381 A C 0.999 178.610 177.584 0.044 0.000 1.431 381 A CA -0.225 51.812 52.037 -0.000 0.000 1.014 381 A CB 0.193 19.192 19.000 -0.000 0.000 1.143 381 A HN 0.996 nan 8.150 nan 0.000 0.532 382 E N 2.262 122.514 120.200 0.086 0.000 2.085 382 E HA -0.211 4.139 4.350 0.000 0.000 0.194 382 E C 2.023 178.705 176.600 0.137 0.000 0.994 382 E CA 1.754 58.235 56.400 0.135 0.000 0.801 382 E CB 0.057 29.864 29.700 0.180 0.000 0.743 382 E HN 0.866 nan 8.360 nan 0.000 0.453 383 S N 0.085 115.850 115.700 0.108 0.000 2.440 383 S HA -0.136 4.334 4.470 0.000 0.000 0.238 383 S C 1.735 176.385 174.600 0.084 0.000 1.010 383 S CA 0.838 59.098 58.200 0.099 0.000 0.972 383 S CB -0.211 63.031 63.200 0.070 0.000 0.774 383 S HN 0.241 nan 8.310 nan 0.000 0.501 384 R N 0.061 120.595 120.500 0.056 0.000 2.362 384 R HA 0.427 4.767 4.340 0.000 0.000 0.227 384 R C -0.130 176.166 176.300 -0.008 0.000 0.905 384 R CA -0.223 55.894 56.100 0.028 0.000 1.067 384 R CB 0.007 30.316 30.300 0.014 0.000 1.078 384 R HN 0.443 nan 8.270 nan 0.000 0.516 385 I N 1.786 122.340 120.570 -0.027 0.000 2.710 385 I HA -0.060 4.111 4.170 0.000 0.000 0.286 385 I C 0.148 176.135 176.117 -0.217 0.000 1.181 385 I CA 0.277 61.462 61.300 -0.191 0.000 1.430 385 I CB 0.825 38.629 38.000 -0.327 0.000 1.367 385 I HN -0.235 nan 8.210 nan 0.000 0.577 386 V N 6.299 126.048 119.914 -0.275 0.000 2.398 386 V HA 0.249 4.370 4.120 0.000 0.000 0.286 386 V C -0.564 175.370 176.094 -0.267 0.000 1.026 386 V CA -0.563 61.649 62.300 -0.146 0.000 0.868 386 V CB 1.086 32.879 31.823 -0.050 0.000 0.982 386 V HN 0.558 nan 8.190 nan 0.000 0.443 387 W N 2.274 123.614 121.300 0.066 0.000 2.449 387 W HA 0.567 5.227 4.660 0.000 0.000 0.331 387 W C 0.918 177.497 176.519 0.100 0.000 1.119 387 W CA -0.217 57.174 57.345 0.077 0.000 1.240 387 W CB 1.307 30.857 29.460 0.149 0.000 1.251 387 W HN 0.539 nan 8.180 nan 0.000 0.576 388 S N 1.432 117.309 115.700 0.295 0.000 2.579 388 S HA 0.461 4.932 4.470 0.000 0.000 0.275 388 S C 0.649 175.447 174.600 0.331 0.000 1.345 388 S CA -0.176 58.158 58.200 0.223 0.000 1.031 388 S CB 0.115 63.403 63.200 0.146 0.000 0.892 388 S HN 0.650 nan 8.310 nan 0.000 0.529 389 G N 1.200 110.143 108.800 0.238 0.000 2.684 389 G HA2 0.516 4.477 3.960 0.000 0.000 0.255 389 G HA3 0.516 4.477 3.960 0.000 0.000 0.255 389 G C 0.437 175.499 174.900 0.270 0.000 1.219 389 G CA -0.022 45.215 45.100 0.227 0.000 0.901 389 G HN 1.669 nan 8.290 nan 0.000 0.548 390 G N -1.801 107.134 108.800 0.225 0.000 2.906 390 G HA2 0.140 4.101 3.960 0.000 0.000 0.686 390 G HA3 0.140 4.101 3.960 0.000 0.000 0.686 390 G C 0.376 175.449 174.900 0.289 0.000 1.170 390 G CA 0.183 45.424 45.100 0.236 0.000 0.775 390 G HN 1.103 nan 8.290 nan 0.000 0.630 391 S N 0.599 116.319 115.700 0.033 0.000 2.548 391 S HA 0.189 4.659 4.470 0.000 0.000 0.215 391 S C 1.316 175.776 174.600 -0.234 0.000 0.976 391 S CA 1.214 59.241 58.200 -0.289 0.000 0.908 391 S CB -0.011 62.803 63.200 -0.644 0.000 0.781 391 S HN 0.575 nan 8.310 nan 0.000 0.519 392 Y N 0.206 120.731 120.300 0.375 0.000 2.559 392 Y HA 0.361 4.912 4.550 0.000 0.000 0.279 392 Y C 0.687 176.739 175.900 0.253 0.000 1.117 392 Y CA -0.187 58.084 58.100 0.285 0.000 1.263 392 Y CB 0.290 38.835 38.460 0.142 0.000 1.230 392 Y HN -0.052 nan 8.280 nan 0.000 0.528 393 V N 1.939 122.030 119.914 0.294 0.000 2.459 393 V HA 0.389 4.510 4.120 0.000 0.000 0.295 393 V C -0.356 175.526 176.094 -0.353 0.000 1.029 393 V CA -1.082 61.235 62.300 0.029 0.000 0.874 393 V CB 1.748 33.612 31.823 0.067 0.000 0.985 393 V HN 0.088 nan 8.190 nan 0.000 0.438 394 R N 5.110 125.201 120.500 -0.682 0.000 2.246 394 R HA 0.686 5.027 4.340 0.000 0.000 0.332 394 R C -0.505 175.607 176.300 -0.314 0.000 0.974 394 R CA -0.628 54.771 56.100 -1.169 0.000 0.837 394 R CB 0.632 30.116 30.300 -1.359 0.000 1.145 394 R HN 0.918 nan 8.270 nan 0.000 0.467 395 R N 3.181 123.639 120.500 -0.070 0.000 2.566 395 R HA 0.506 4.846 4.340 0.000 0.000 0.271 395 R C -3.102 173.253 176.300 0.091 0.000 1.071 395 R CA -2.035 54.117 56.100 0.087 0.000 0.915 395 R CB 1.584 31.885 30.300 0.002 0.000 1.228 395 R HN 0.321 nan 8.270 nan 0.000 0.449 396 P HA 0.174 nan 4.420 nan 0.000 0.279 396 P C 0.100 177.296 177.300 -0.174 0.000 1.239 396 P CA -0.606 62.233 63.100 -0.436 0.000 0.789 396 P CB 0.836 32.140 31.700 -0.660 0.000 0.933 397 L N 0.403 121.541 121.223 -0.141 0.000 2.270 397 L HA 0.086 4.427 4.340 0.000 0.000 0.210 397 L C 1.026 177.844 176.870 -0.087 0.000 1.104 397 L CA 1.167 55.966 54.840 -0.067 0.000 0.804 397 L CB -0.038 42.007 42.059 -0.024 0.000 0.937 397 L HN 0.390 nan 8.230 nan 0.000 0.450 398 S N -0.752 114.859 115.700 -0.147 0.000 2.543 398 S HA 0.562 5.032 4.470 0.000 0.000 0.271 398 S C -1.139 173.360 174.600 -0.169 0.000 1.148 398 S CA -0.519 57.606 58.200 -0.125 0.000 0.914 398 S CB 1.904 65.053 63.200 -0.086 0.000 1.096 398 S HN -0.193 nan 8.310 nan 0.000 0.471 399 V N 6.011 125.855 119.914 -0.117 0.000 2.409 399 V HA 0.472 4.592 4.120 0.000 0.000 0.290 399 V C -2.450 173.639 176.094 -0.008 0.000 1.017 399 V CA -1.881 60.369 62.300 -0.084 0.000 0.841 399 V CB 1.673 33.464 31.823 -0.054 0.000 1.003 399 V HN 0.753 nan 8.190 nan 0.000 0.426 400 P HA 0.194 nan 4.420 nan 0.000 0.267 400 P C -1.032 176.352 177.300 0.140 0.000 1.209 400 P CA 0.212 63.340 63.100 0.046 0.000 0.763 400 P CB 0.081 31.789 31.700 0.014 0.000 0.816 401 F N 4.155 124.075 119.950 -0.050 0.000 2.562 401 F HA 0.594 5.121 4.527 0.000 0.000 0.319 401 F C -0.576 175.213 175.800 -0.018 0.000 1.154 401 F CA -1.040 56.942 58.000 -0.030 0.000 0.931 401 F CB 1.637 40.587 39.000 -0.082 0.000 1.198 401 F HN 0.050 nan 8.300 nan 0.000 0.444 402 R N 3.899 124.101 120.500 -0.497 0.000 2.670 402 R HA 0.866 5.206 4.340 0.000 0.000 0.289 402 R C -2.003 173.951 176.300 -0.575 0.000 0.965 402 R CA -0.717 55.121 56.100 -0.438 0.000 0.899 402 R CB 2.081 32.257 30.300 -0.206 0.000 1.173 402 R HN 0.456 nan 8.270 nan 0.000 0.456 403 V N 2.952 122.613 119.914 -0.423 0.000 2.588 403 V HA 0.550 4.670 4.120 0.000 0.000 0.304 403 V C 0.069 176.086 176.094 -0.128 0.000 1.042 403 V CA -0.652 61.485 62.300 -0.271 0.000 0.877 403 V CB 1.769 33.448 31.823 -0.240 0.000 0.996 403 V HN 1.011 nan 8.190 nan 0.000 0.425 404 T N 0.000 114.514 114.554 -0.067 0.000 3.816 404 T HA 0.000 4.350 4.350 0.000 0.000 0.228 404 T CA 0.000 62.076 62.100 -0.040 0.000 1.349 404 T CB 0.000 68.849 68.868 -0.032 0.000 0.612 404 T HN 0.000 nan 8.240 nan 0.000 0.658