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 1ajs_1_B DATA FIRST_RESID 1 DATA SEQUENCE APPSVFAEVP QAQPVLVFKL IADFREDPDP RKVNLGVGAY RTDDCQPWVL DATA SEQUENCE PVVRKVEQRI ANNSSLNHEY LPILGLAEFR TCASRLALGD DSPALQEKRV DATA SEQUENCE GGVQSLGGTG ALRIGAEFLA RWYNGTNNKD TPVYVSSPTW ENHNGVFTTA DATA SEQUENCE GFKDIRSYRY WDTEKRGLDL QGFLSDLENA PEFSIFVLHA CAHNPTGTDP DATA SEQUENCE TPEQWKQIAS VMKRRFLFPF FDSAYQGFAS GNLEKDAWAI RYFVSEGFEL DATA SEQUENCE FCAQSFSXNF GLYNERVGNL TVVAKEPDSI LRVLSQMQKI VRVTWSNPPA DATA SEQUENCE QGARIVARTL SDPELFHEWT GNVKTMADRI LSMRSELRAR LEALKTPGTW DATA SEQUENCE NHITDQIGMF SFTGLNPKQV EYLINQKHIY LLPSGRINMC GLTTKNLDYV DATA SEQUENCE ATSIHEAVTK IQ 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.577 177.584 -0.012 0.000 1.274 1 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 1 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 2 P HA 0.486 nan 4.420 nan 0.000 0.269 2 P C -2.420 174.864 177.300 -0.027 0.000 1.209 2 P CA -0.462 62.624 63.100 -0.023 0.000 0.776 2 P CB -0.310 31.373 31.700 -0.029 0.000 0.876 3 P HA 0.060 nan 4.420 nan 0.000 0.272 3 P C 0.026 177.296 177.300 -0.051 0.000 1.230 3 P CA -0.332 62.752 63.100 -0.027 0.000 0.788 3 P CB 0.484 32.172 31.700 -0.020 0.000 0.949 4 S N 0.154 115.829 115.700 -0.041 0.000 2.563 4 S HA 0.005 4.475 4.470 -0.001 0.000 0.284 4 S C 1.483 175.986 174.600 -0.162 0.000 1.331 4 S CA -0.304 57.847 58.200 -0.082 0.000 1.047 4 S CB -0.051 63.159 63.200 0.016 0.000 0.859 4 S HN 0.335 nan 8.310 nan 0.000 0.514 5 V N 2.944 122.634 119.914 -0.373 0.000 3.078 5 V HA 0.089 4.208 4.120 -0.001 0.000 0.265 5 V C 0.943 176.799 176.094 -0.398 0.000 1.122 5 V CA 1.214 63.247 62.300 -0.445 0.000 1.141 5 V CB -1.201 30.267 31.823 -0.591 0.000 0.735 5 V HN 0.797 nan 8.190 nan 0.000 0.498 6 F N 0.658 120.606 119.950 -0.003 0.000 2.641 6 F HA 0.705 5.232 4.527 -0.001 0.000 0.302 6 F C 2.217 178.015 175.800 -0.004 0.000 1.098 6 F CA -0.315 57.682 58.000 -0.004 0.000 1.318 6 F CB -0.629 38.368 39.000 -0.004 0.000 1.035 6 F HN 0.154 nan 8.300 nan 0.000 0.551 7 A N 0.250 123.133 122.820 0.105 0.000 1.978 7 A HA -0.173 4.147 4.320 -0.001 0.000 0.220 7 A C 1.900 179.519 177.584 0.058 0.000 1.170 7 A CA 1.653 53.731 52.037 0.068 0.000 0.636 7 A CB -0.469 18.546 19.000 0.025 0.000 0.810 7 A HN 0.443 nan 8.150 nan 0.000 0.448 8 E N -0.522 119.712 120.200 0.057 0.000 2.476 8 E HA 0.188 4.537 4.350 -0.001 0.000 0.196 8 E C -0.730 175.901 176.600 0.052 0.000 1.029 8 E CA -0.399 56.027 56.400 0.043 0.000 0.896 8 E CB 0.565 30.282 29.700 0.029 0.000 1.012 8 E HN 0.315 nan 8.360 nan 0.000 0.475 9 V N 4.402 124.363 119.914 0.077 0.000 2.470 9 V HA 0.105 4.225 4.120 -0.001 0.000 0.276 9 V C -1.492 174.623 176.094 0.034 0.000 1.040 9 V CA -1.213 61.124 62.300 0.063 0.000 1.008 9 V CB 0.036 31.908 31.823 0.082 0.000 0.990 9 V HN 0.147 nan 8.190 nan 0.000 0.477 10 P HA 0.274 nan 4.420 nan 0.000 0.279 10 P C -0.844 176.455 177.300 -0.002 0.000 1.252 10 P CA -0.740 62.366 63.100 0.010 0.000 0.811 10 P CB 0.832 32.538 31.700 0.009 0.000 1.035 11 Q N 1.179 120.975 119.800 -0.006 0.000 2.297 11 Q HA 0.425 4.765 4.340 -0.001 0.000 0.267 11 Q C -0.443 175.548 176.000 -0.015 0.000 1.006 11 Q CA -0.151 55.643 55.803 -0.016 0.000 0.896 11 Q CB 0.132 28.861 28.738 -0.015 0.000 1.186 11 Q HN 0.573 nan 8.270 nan 0.000 0.392 12 A N 4.447 127.253 122.820 -0.023 0.000 2.386 12 A HA 0.168 4.487 4.320 -0.001 0.000 0.248 12 A C -0.222 177.353 177.584 -0.014 0.000 1.082 12 A CA -0.297 51.730 52.037 -0.018 0.000 0.789 12 A CB 0.284 19.270 19.000 -0.024 0.000 1.025 12 A HN 0.856 nan 8.150 nan 0.000 0.490 13 Q N 1.215 121.012 119.800 -0.004 0.000 2.314 13 Q HA 0.298 4.638 4.340 -0.001 0.000 0.258 13 Q C -1.855 174.150 176.000 0.009 0.000 0.954 13 Q CA -1.447 54.358 55.803 0.003 0.000 0.890 13 Q CB 0.485 29.228 28.738 0.008 0.000 1.210 13 Q HN 0.604 nan 8.270 nan 0.000 0.410 14 P HA 0.078 nan 4.420 nan 0.000 0.274 14 P C -0.962 176.393 177.300 0.092 0.000 1.231 14 P CA -0.276 62.845 63.100 0.035 0.000 0.790 14 P CB 0.643 32.356 31.700 0.023 0.000 0.951 15 V N 3.521 123.553 119.914 0.196 0.000 2.498 15 V HA -0.027 4.093 4.120 -0.001 0.000 0.279 15 V C 1.905 178.123 176.094 0.206 0.000 1.048 15 V CA -0.361 62.078 62.300 0.231 0.000 0.967 15 V CB 0.820 32.876 31.823 0.388 0.000 0.988 15 V HN 0.571 nan 8.190 nan 0.000 0.473 16 L N 6.818 128.095 121.223 0.090 0.000 1.990 16 L HA -0.142 4.198 4.340 -0.001 0.000 0.213 16 L C 2.325 179.222 176.870 0.045 0.000 1.072 16 L CA 2.864 57.741 54.840 0.061 0.000 0.755 16 L CB -0.532 41.543 42.059 0.027 0.000 0.889 16 L HN 0.657 nan 8.230 nan 0.000 0.432 17 V N -2.752 117.137 119.914 -0.042 0.000 2.380 17 V HA -0.308 3.812 4.120 -0.001 0.000 0.251 17 V C 2.376 178.418 176.094 -0.087 0.000 1.063 17 V CA 2.054 64.287 62.300 -0.112 0.000 1.055 17 V CB -1.631 30.053 31.823 -0.231 0.000 0.657 17 V HN 0.373 nan 8.190 nan 0.000 0.455 18 F N 0.801 120.761 119.950 0.016 0.000 2.095 18 F HA -0.050 4.477 4.527 -0.000 0.000 0.298 18 F C 2.667 178.480 175.800 0.021 0.000 1.104 18 F CA 2.217 60.226 58.000 0.015 0.000 1.232 18 F CB -0.689 38.316 39.000 0.008 0.000 0.987 18 F HN 0.074 nan 8.300 nan 0.000 0.475 19 K N 0.737 121.267 120.400 0.218 0.000 2.002 19 K HA -0.196 4.124 4.320 -0.001 0.000 0.209 19 K C 2.256 178.925 176.600 0.113 0.000 1.048 19 K CA 1.396 57.766 56.287 0.138 0.000 0.930 19 K CB -0.954 31.614 32.500 0.113 0.000 0.714 19 K HN 0.269 nan 8.250 nan 0.000 0.438 20 L N 1.457 122.746 121.223 0.110 0.000 2.013 20 L HA -0.195 4.145 4.340 -0.001 0.000 0.212 20 L C 2.261 179.174 176.870 0.071 0.000 1.073 20 L CA 1.563 56.480 54.840 0.129 0.000 0.753 20 L CB -0.287 41.847 42.059 0.125 0.000 0.890 20 L HN 0.177 nan 8.230 nan 0.000 0.432 21 I N -0.574 120.027 120.570 0.053 0.000 2.315 21 I HA -0.269 3.901 4.170 -0.001 0.000 0.248 21 I C 2.579 178.743 176.117 0.079 0.000 1.117 21 I CA 1.071 62.398 61.300 0.046 0.000 1.404 21 I CB -0.567 37.453 38.000 0.032 0.000 1.071 21 I HN 0.399 nan 8.210 nan 0.000 0.419 22 A N 0.578 123.443 122.820 0.074 0.000 1.845 22 A HA -0.258 4.062 4.320 -0.001 0.000 0.215 22 A C 2.017 179.603 177.584 0.003 0.000 1.195 22 A CA 2.142 54.211 52.037 0.054 0.000 0.616 22 A CB -0.750 18.290 19.000 0.067 0.000 0.832 22 A HN 0.316 nan 8.150 nan 0.000 0.443 23 D N -0.967 119.438 120.400 0.007 0.000 2.126 23 D HA -0.201 4.439 4.640 -0.001 0.000 0.190 23 D C 1.616 177.781 176.300 -0.225 0.000 1.001 23 D CA 1.702 55.695 54.000 -0.011 0.000 0.841 23 D CB -0.567 40.310 40.800 0.129 0.000 0.949 23 D HN 0.456 nan 8.370 nan 0.000 0.446 24 F N 1.798 121.376 119.950 -0.620 0.000 2.065 24 F HA -0.203 4.324 4.527 -0.000 0.000 0.298 24 F C 2.386 177.980 175.800 -0.343 0.000 1.112 24 F CA 1.659 59.126 58.000 -0.889 0.000 1.212 24 F CB -0.154 38.397 39.000 -0.749 0.000 0.975 24 F HN -0.175 nan 8.300 nan 0.000 0.476 25 R N -0.162 120.169 120.500 -0.283 0.000 2.091 25 R HA -0.188 4.152 4.340 -0.001 0.000 0.238 25 R C 1.987 178.145 176.300 -0.237 0.000 1.136 25 R CA 1.741 57.705 56.100 -0.227 0.000 0.959 25 R CB -0.529 29.758 30.300 -0.022 0.000 0.856 25 R HN 0.253 nan 8.270 nan 0.000 0.437 26 E N 0.720 120.819 120.200 -0.169 0.000 2.418 26 E HA -0.061 4.288 4.350 -0.001 0.000 0.197 26 E C -0.166 176.368 176.600 -0.110 0.000 1.026 26 E CA 0.354 56.691 56.400 -0.105 0.000 0.862 26 E CB -0.111 29.562 29.700 -0.045 0.000 0.799 26 E HN 0.121 nan 8.360 nan 0.000 0.518 27 D N -0.257 120.040 120.400 -0.172 0.000 2.343 27 D HA 0.006 4.645 4.640 -0.001 0.000 0.255 27 D C -1.815 174.389 176.300 -0.159 0.000 1.187 27 D CA -1.861 52.081 54.000 -0.098 0.000 0.875 27 D CB 1.414 42.219 40.800 0.009 0.000 1.136 27 D HN -0.067 nan 8.370 nan 0.000 0.469 28 P HA 0.003 nan 4.420 nan 0.000 0.224 28 P C 0.201 177.403 177.300 -0.163 0.000 1.157 28 P CA 0.033 63.060 63.100 -0.122 0.000 0.799 28 P CB 0.211 31.861 31.700 -0.084 0.000 0.809 29 D N 1.246 121.505 120.400 -0.234 0.000 2.531 29 D HA -0.039 4.601 4.640 -0.001 0.000 0.239 29 D C -1.133 175.027 176.300 -0.234 0.000 1.144 29 D CA -0.957 52.842 54.000 -0.336 0.000 0.869 29 D CB 0.994 41.316 40.800 -0.798 0.000 1.160 29 D HN 0.090 nan 8.370 nan 0.000 0.484 30 P HA -0.060 nan 4.420 nan 0.000 0.226 30 P C 0.815 178.017 177.300 -0.162 0.000 1.153 30 P CA 0.718 63.728 63.100 -0.150 0.000 0.777 30 P CB 0.297 31.920 31.700 -0.128 0.000 0.794 31 R N -0.497 119.868 120.500 -0.225 0.000 2.276 31 R HA 0.125 4.465 4.340 -0.001 0.000 0.196 31 R C 0.982 177.224 176.300 -0.096 0.000 0.961 31 R CA -0.189 55.717 56.100 -0.323 0.000 1.024 31 R CB -0.194 29.733 30.300 -0.622 0.000 0.940 31 R HN 0.148 nan 8.270 nan 0.000 0.480 32 K N 1.508 121.946 120.400 0.065 0.000 2.548 32 K HA -0.064 4.256 4.320 -0.001 0.000 0.277 32 K C -0.769 176.094 176.600 0.438 0.000 1.001 32 K CA 0.554 57.034 56.287 0.321 0.000 1.102 32 K CB 0.501 33.073 32.500 0.119 0.000 0.848 32 K HN -0.126 nan 8.250 nan 0.000 0.487 33 V N 3.613 123.875 119.914 0.580 0.000 2.638 33 V HA 0.133 4.252 4.120 -0.001 0.000 0.306 33 V C -0.550 175.719 176.094 0.291 0.000 1.052 33 V CA -1.064 61.473 62.300 0.395 0.000 0.885 33 V CB 1.823 33.814 31.823 0.279 0.000 0.999 33 V HN 0.714 nan 8.190 nan 0.000 0.424 34 N N 4.077 122.673 118.700 -0.173 0.000 2.527 34 N HA 0.395 5.135 4.740 -0.001 0.000 0.236 34 N C 0.159 175.544 175.510 -0.209 0.000 0.999 34 N CA -0.312 52.400 53.050 -0.563 0.000 0.935 34 N CB 0.921 38.526 38.487 -1.471 0.000 1.132 34 N HN 0.697 nan 8.380 nan 0.000 0.511 35 L N 1.665 122.861 121.223 -0.046 0.000 2.628 35 L HA 0.318 4.658 4.340 -0.001 0.000 0.229 35 L C 1.647 178.531 176.870 0.024 0.000 1.137 35 L CA -0.002 54.837 54.840 -0.003 0.000 0.909 35 L CB 0.363 42.444 42.059 0.037 0.000 1.137 35 L HN 0.546 nan 8.230 nan 0.000 0.470 36 G N -0.443 108.349 108.800 -0.014 0.000 3.088 36 G HA2 0.038 3.998 3.960 -0.001 0.000 0.217 36 G HA3 0.038 3.998 3.960 -0.001 0.000 0.217 36 G C 0.557 175.461 174.900 0.007 0.000 1.159 36 G CA -0.054 45.056 45.100 0.017 0.000 0.760 36 G HN 0.063 nan 8.290 nan 0.000 0.550 37 V N 0.968 120.859 119.914 -0.038 0.000 2.901 37 V HA 0.448 4.567 4.120 -0.001 0.000 0.307 37 V C 1.371 177.519 176.094 0.091 0.000 1.084 37 V CA 1.103 63.382 62.300 -0.035 0.000 1.184 37 V CB 1.472 33.237 31.823 -0.097 0.000 0.941 37 V HN 0.139 nan 8.190 nan 0.000 0.493 38 G N 4.309 113.155 108.800 0.078 0.000 3.690 38 G HA2 0.670 4.630 3.960 -0.001 0.000 0.283 38 G HA3 0.670 4.630 3.960 -0.001 0.000 0.283 38 G C -0.023 174.961 174.900 0.139 0.000 1.057 38 G CA 0.564 45.802 45.100 0.230 0.000 0.821 38 G HN 1.262 nan 8.290 nan 0.000 0.526 39 A N -0.581 122.248 122.820 0.016 0.000 2.583 39 A HA 0.659 4.979 4.320 -0.001 0.000 0.289 39 A C -1.385 176.278 177.584 0.132 0.000 1.151 39 A CA -0.889 51.151 52.037 0.004 0.000 0.695 39 A CB 0.916 19.653 19.000 -0.437 0.000 1.290 39 A HN 0.239 nan 8.150 nan 0.000 0.419 40 Y N 1.278 121.727 120.300 0.248 0.000 2.597 40 Y HA 0.476 5.025 4.550 -0.001 0.000 0.336 40 Y C 0.308 176.315 175.900 0.179 0.000 1.216 40 Y CA 0.837 59.116 58.100 0.298 0.000 1.463 40 Y CB 0.459 39.233 38.460 0.523 0.000 1.303 40 Y HN 0.579 nan 8.280 nan 0.000 0.576 41 R N 2.930 122.976 120.500 -0.756 0.000 2.698 41 R HA 0.266 4.606 4.340 -0.001 0.000 0.275 41 R C -0.344 175.482 176.300 -0.789 0.000 1.001 41 R CA -0.520 55.283 56.100 -0.496 0.000 0.896 41 R CB 1.411 31.553 30.300 -0.264 0.000 1.218 41 R HN 0.868 nan 8.270 nan 0.000 0.462 42 T N -2.674 111.644 114.554 -0.393 0.000 2.732 42 T HA 0.051 4.401 4.350 -0.001 0.000 0.287 42 T C 0.965 175.527 174.700 -0.229 0.000 0.993 42 T CA -0.266 61.648 62.100 -0.310 0.000 0.966 42 T CB 0.633 69.395 68.868 -0.176 0.000 1.047 42 T HN 0.500 nan 8.240 nan 0.000 0.527 43 D N -0.742 119.552 120.400 -0.177 0.000 2.350 43 D HA -0.057 4.583 4.640 -0.001 0.000 0.216 43 D C 0.985 177.235 176.300 -0.083 0.000 0.968 43 D CA 0.773 54.700 54.000 -0.122 0.000 0.894 43 D CB -0.168 40.569 40.800 -0.104 0.000 0.909 43 D HN 0.531 nan 8.370 nan 0.000 0.520 44 D N -0.869 119.486 120.400 -0.076 0.000 2.368 44 D HA 0.060 4.699 4.640 -0.001 0.000 0.218 44 D C 0.351 176.632 176.300 -0.031 0.000 1.112 44 D CA 0.024 54.000 54.000 -0.039 0.000 0.834 44 D CB 0.302 41.089 40.800 -0.021 0.000 0.953 44 D HN 0.197 nan 8.370 nan 0.000 0.505 45 C N 1.601 120.866 119.300 -0.058 0.000 4.397 45 C HA -0.156 4.303 4.460 -0.001 0.000 0.291 45 C C 0.455 175.431 174.990 -0.024 0.000 1.408 45 C CA 0.423 59.412 59.018 -0.049 0.000 1.971 45 C CB -2.194 25.541 27.740 -0.008 0.000 1.258 45 C HN 0.362 nan 8.230 nan 0.000 0.795 46 Q N -0.328 119.464 119.800 -0.015 0.000 2.297 46 Q HA 0.516 4.856 4.340 -0.001 0.000 0.268 46 Q C -2.235 173.816 176.000 0.084 0.000 1.045 46 Q CA -1.896 53.932 55.803 0.043 0.000 0.861 46 Q CB 0.975 29.759 28.738 0.076 0.000 1.344 46 Q HN 0.169 nan 8.270 nan 0.000 0.452 47 P HA 0.028 nan 4.420 nan 0.000 0.269 47 P C -1.041 176.484 177.300 0.374 0.000 1.215 47 P CA -0.021 63.207 63.100 0.213 0.000 0.780 47 P CB 0.435 32.229 31.700 0.157 0.000 0.898 48 W N 3.394 124.847 121.300 0.255 0.000 2.554 48 W HA 0.415 5.074 4.660 -0.001 0.000 0.324 48 W C -1.679 174.972 176.519 0.219 0.000 1.018 48 W CA -0.599 56.897 57.345 0.252 0.000 1.243 48 W CB 1.033 30.715 29.460 0.370 0.000 1.345 48 W HN -0.014 nan 8.180 nan 0.000 0.441 49 V N 7.748 127.611 119.914 -0.085 0.000 2.406 49 V HA 0.160 4.279 4.120 -0.001 0.000 0.272 49 V C 0.354 176.029 176.094 -0.698 0.000 1.043 49 V CA -0.784 61.384 62.300 -0.221 0.000 0.915 49 V CB 0.519 32.294 31.823 -0.080 0.000 0.988 49 V HN 0.276 nan 8.190 nan 0.000 0.466 50 L N 8.830 129.650 121.223 -0.672 0.000 2.525 50 L HA 0.129 4.469 4.340 -0.001 0.000 0.278 50 L C -1.169 175.401 176.870 -0.501 0.000 1.218 50 L CA -0.600 53.704 54.840 -0.893 0.000 0.878 50 L CB 0.029 41.812 42.059 -0.461 0.000 1.127 50 L HN 0.419 nan 8.230 nan 0.000 0.492 51 P HA -0.186 nan 4.420 nan 0.000 0.216 51 P C 1.788 179.032 177.300 -0.092 0.000 1.153 51 P CA 0.845 63.842 63.100 -0.172 0.000 0.858 51 P CB 0.238 31.898 31.700 -0.067 0.000 0.789 52 V N -0.583 119.287 119.914 -0.074 0.000 2.427 52 V HA -0.181 3.938 4.120 -0.001 0.000 0.248 52 V C 2.146 178.247 176.094 0.012 0.000 1.051 52 V CA 1.685 63.986 62.300 0.003 0.000 1.048 52 V CB -0.817 31.039 31.823 0.055 0.000 0.666 52 V HN -0.091 nan 8.190 nan 0.000 0.456 53 V N 0.083 119.990 119.914 -0.011 0.000 2.295 53 V HA -0.248 3.872 4.120 -0.001 0.000 0.246 53 V C 2.611 178.699 176.094 -0.011 0.000 1.049 53 V CA 2.518 64.828 62.300 0.016 0.000 1.024 53 V CB -0.797 31.040 31.823 0.023 0.000 0.648 53 V HN 0.487 nan 8.190 nan 0.000 0.447 54 R N -0.136 120.339 120.500 -0.041 0.000 2.091 54 R HA -0.216 4.123 4.340 -0.001 0.000 0.238 54 R C 2.471 178.765 176.300 -0.010 0.000 1.136 54 R CA 1.888 57.972 56.100 -0.027 0.000 0.959 54 R CB -0.349 29.930 30.300 -0.036 0.000 0.856 54 R HN 0.464 nan 8.270 nan 0.000 0.437 55 K N 0.545 120.941 120.400 -0.006 0.000 2.026 55 K HA -0.134 4.186 4.320 -0.001 0.000 0.208 55 K C 1.898 178.503 176.600 0.008 0.000 1.048 55 K CA 1.568 57.859 56.287 0.007 0.000 0.929 55 K CB 0.031 32.540 32.500 0.015 0.000 0.713 55 K HN 0.017 nan 8.250 nan 0.000 0.439 56 V N 1.706 121.626 119.914 0.011 0.000 2.427 56 V HA -0.200 3.919 4.120 -0.001 0.000 0.248 56 V C 1.986 178.075 176.094 -0.008 0.000 1.051 56 V CA 1.855 64.158 62.300 0.005 0.000 1.048 56 V CB -0.456 31.373 31.823 0.011 0.000 0.666 56 V HN 0.389 nan 8.190 nan 0.000 0.456 57 E N -0.375 119.820 120.200 -0.009 0.000 2.118 57 E HA -0.305 4.044 4.350 -0.001 0.000 0.195 57 E C 2.292 178.886 176.600 -0.009 0.000 0.992 57 E CA 1.368 57.760 56.400 -0.013 0.000 0.804 57 E CB -0.111 29.583 29.700 -0.010 0.000 0.741 57 E HN 0.466 nan 8.360 nan 0.000 0.458 58 Q N 0.605 120.402 119.800 -0.005 0.000 2.123 58 Q HA -0.054 4.286 4.340 -0.001 0.000 0.199 58 Q C 1.876 177.873 176.000 -0.004 0.000 0.966 58 Q CA 1.316 57.117 55.803 -0.002 0.000 0.845 58 Q CB 0.089 28.828 28.738 0.002 0.000 0.907 58 Q HN 0.121 nan 8.270 nan 0.000 0.439 59 R N -0.539 119.958 120.500 -0.005 0.000 2.081 59 R HA -0.056 4.284 4.340 -0.001 0.000 0.235 59 R C 2.237 178.527 176.300 -0.016 0.000 1.131 59 R CA 1.394 57.490 56.100 -0.007 0.000 0.960 59 R CB -0.333 29.965 30.300 -0.003 0.000 0.856 59 R HN 0.301 nan 8.270 nan 0.000 0.436 60 I N 0.487 121.045 120.570 -0.021 0.000 2.202 60 I HA -0.241 3.929 4.170 -0.001 0.000 0.242 60 I C 2.573 178.673 176.117 -0.029 0.000 1.091 60 I CA 1.155 62.435 61.300 -0.033 0.000 1.368 60 I CB -0.380 37.596 38.000 -0.040 0.000 1.058 60 I HN 0.185 nan 8.210 nan 0.000 0.410 61 A N 0.728 123.537 122.820 -0.018 0.000 1.978 61 A HA -0.196 4.124 4.320 -0.001 0.000 0.220 61 A C 1.779 179.356 177.584 -0.013 0.000 1.170 61 A CA 1.788 53.818 52.037 -0.011 0.000 0.636 61 A CB -0.564 18.434 19.000 -0.004 0.000 0.810 61 A HN 0.479 nan 8.150 nan 0.000 0.448 62 N N -0.128 118.564 118.700 -0.013 0.000 2.268 62 N HA 0.004 4.743 4.740 -0.001 0.000 0.204 62 N C -0.202 175.298 175.510 -0.018 0.000 1.124 62 N CA 0.029 53.072 53.050 -0.012 0.000 0.838 62 N CB -0.193 38.291 38.487 -0.007 0.000 0.994 62 N HN 0.668 nan 8.380 nan 0.000 0.489 63 N N 0.865 119.549 118.700 -0.026 0.000 2.501 63 N HA 0.049 4.789 4.740 -0.001 0.000 0.245 63 N C 0.910 176.395 175.510 -0.041 0.000 0.974 63 N CA -0.198 52.832 53.050 -0.032 0.000 0.941 63 N CB 0.647 39.112 38.487 -0.037 0.000 1.122 63 N HN -0.054 nan 8.380 nan 0.000 0.507 64 S N 1.373 117.052 115.700 -0.034 0.000 2.561 64 S HA -0.124 4.346 4.470 -0.001 0.000 0.225 64 S C 1.784 176.358 174.600 -0.042 0.000 0.977 64 S CA 0.752 58.931 58.200 -0.035 0.000 0.926 64 S CB -0.116 63.070 63.200 -0.023 0.000 0.769 64 S HN 0.584 nan 8.310 nan 0.000 0.533 65 S N 1.149 116.822 115.700 -0.044 0.000 2.496 65 S HA 0.236 4.705 4.470 -0.001 0.000 0.224 65 S C 0.585 175.146 174.600 -0.065 0.000 0.996 65 S CA -0.462 57.711 58.200 -0.046 0.000 0.927 65 S CB -0.694 62.483 63.200 -0.038 0.000 0.774 65 S HN 0.533 nan 8.310 nan 0.000 0.524 66 L N 3.129 124.300 121.223 -0.087 0.000 2.371 66 L HA 0.423 4.763 4.340 -0.001 0.000 0.272 66 L C 0.230 176.992 176.870 -0.181 0.000 1.124 66 L CA -0.671 54.090 54.840 -0.133 0.000 0.816 66 L CB 0.397 42.365 42.059 -0.150 0.000 1.129 66 L HN 0.445 nan 8.230 nan 0.000 0.448 67 N N -0.678 117.897 118.700 -0.208 0.000 3.091 67 N HA 0.326 5.066 4.740 -0.001 0.000 0.329 67 N C -0.267 175.025 175.510 -0.364 0.000 1.430 67 N CA -0.793 52.124 53.050 -0.222 0.000 0.755 67 N CB 0.679 39.106 38.487 -0.099 0.000 1.626 67 N HN 0.375 nan 8.380 nan 0.000 0.614 68 H N -1.154 117.880 119.070 -0.060 0.000 2.475 68 H HA 0.308 4.864 4.556 -0.000 0.000 0.276 68 H C -0.509 174.754 175.328 -0.109 0.000 1.126 68 H CA -0.284 55.717 56.048 -0.078 0.000 1.023 68 H CB 0.255 29.965 29.762 -0.086 0.000 1.669 68 H HN 0.485 nan 8.280 nan 0.000 0.573 69 E N 0.691 120.884 120.200 -0.012 0.000 2.404 69 E HA -0.017 4.333 4.350 -0.001 0.000 0.261 69 E C -0.091 176.518 176.600 0.015 0.000 1.074 69 E CA -0.235 56.142 56.400 -0.038 0.000 0.917 69 E CB 0.761 30.459 29.700 -0.003 0.000 0.965 69 E HN 0.163 nan 8.360 nan 0.000 0.433 70 Y N 0.794 121.113 120.300 0.032 0.000 2.904 70 Y HA -0.139 4.410 4.550 -0.001 0.000 0.336 70 Y C 1.107 177.020 175.900 0.023 0.000 1.263 70 Y CA 0.573 58.691 58.100 0.031 0.000 1.547 70 Y CB -0.029 38.450 38.460 0.030 0.000 1.272 70 Y HN 0.258 nan 8.280 nan 0.000 0.596 71 L N 5.597 126.948 121.223 0.213 0.000 2.468 71 L HA 0.313 4.653 4.340 -0.001 0.000 0.254 71 L C -1.850 175.080 176.870 0.101 0.000 1.171 71 L CA -2.062 52.846 54.840 0.114 0.000 0.809 71 L CB 0.246 42.351 42.059 0.076 0.000 1.155 71 L HN 0.448 nan 8.230 nan 0.000 0.473 72 P HA 0.087 nan 4.420 nan 0.000 0.270 72 P C 0.883 178.214 177.300 0.051 0.000 1.223 72 P CA -0.128 62.998 63.100 0.044 0.000 0.785 72 P CB 0.598 32.320 31.700 0.036 0.000 0.923 73 I N 0.470 121.057 120.570 0.028 0.000 2.194 73 I HA -0.261 3.908 4.170 -0.001 0.000 0.246 73 I C 1.867 178.036 176.117 0.087 0.000 1.093 73 I CA 1.696 63.021 61.300 0.041 0.000 1.355 73 I CB -0.472 37.526 38.000 -0.004 0.000 1.046 73 I HN 0.347 nan 8.210 nan 0.000 0.413 74 L N 0.104 121.368 121.223 0.069 0.000 2.552 74 L HA 0.164 4.503 4.340 -0.001 0.000 0.227 74 L C 1.056 177.995 176.870 0.115 0.000 1.146 74 L CA 0.338 55.230 54.840 0.087 0.000 0.858 74 L CB -0.714 41.373 42.059 0.047 0.000 0.969 74 L HN 0.532 nan 8.230 nan 0.000 0.451 75 G N 0.207 109.069 108.800 0.102 0.000 2.498 75 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.651 75 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.651 75 G C -1.088 173.858 174.900 0.077 0.000 1.284 75 G CA -0.756 44.400 45.100 0.093 0.000 0.950 75 G HN -0.078 nan 8.290 nan 0.000 0.511 76 L N 1.386 122.649 121.223 0.067 0.000 2.562 76 L HA 0.571 4.910 4.340 -0.001 0.000 0.271 76 L C 2.015 178.938 176.870 0.087 0.000 1.167 76 L CA 1.542 56.416 54.840 0.058 0.000 0.917 76 L CB 0.461 42.532 42.059 0.021 0.000 1.187 76 L HN 1.770 nan 8.230 nan 0.000 0.482 77 A N 4.539 127.385 122.820 0.044 0.000 1.892 77 A HA -0.174 4.145 4.320 -0.001 0.000 0.218 77 A C 1.840 179.428 177.584 0.005 0.000 1.188 77 A CA 1.754 53.805 52.037 0.023 0.000 0.631 77 A CB -0.515 18.488 19.000 0.005 0.000 0.822 77 A HN 0.861 nan 8.150 nan 0.000 0.447 78 E N -0.478 119.725 120.200 0.004 0.000 2.110 78 E HA -0.217 4.132 4.350 -0.001 0.000 0.193 78 E C 1.807 178.383 176.600 -0.040 0.000 0.988 78 E CA 1.403 57.789 56.400 -0.023 0.000 0.804 78 E CB -0.918 28.770 29.700 -0.022 0.000 0.745 78 E HN 0.707 nan 8.360 nan 0.000 0.458 79 F N 2.461 122.333 119.950 -0.131 0.000 2.113 79 F HA -0.084 4.443 4.527 -0.000 0.000 0.297 79 F C 2.411 178.123 175.800 -0.147 0.000 1.103 79 F CA 1.496 59.383 58.000 -0.189 0.000 1.248 79 F CB -0.094 38.772 39.000 -0.224 0.000 0.999 79 F HN -0.179 nan 8.300 nan 0.000 0.475 80 R N -0.202 120.184 120.500 -0.190 0.000 2.091 80 R HA -0.135 4.205 4.340 -0.001 0.000 0.238 80 R C 2.179 178.319 176.300 -0.267 0.000 1.136 80 R CA 2.109 58.060 56.100 -0.248 0.000 0.959 80 R CB -1.062 29.222 30.300 -0.027 0.000 0.856 80 R HN 0.285 nan 8.270 nan 0.000 0.437 81 T N -0.053 114.389 114.554 -0.186 0.000 2.701 81 T HA -0.145 4.204 4.350 -0.001 0.000 0.263 81 T C 2.024 176.616 174.700 -0.181 0.000 1.040 81 T CA 1.317 63.330 62.100 -0.146 0.000 1.147 81 T CB -0.304 68.506 68.868 -0.098 0.000 0.865 81 T HN 0.353 nan 8.240 nan 0.000 0.426 82 C N 1.640 120.803 119.300 -0.228 0.000 2.429 82 C HA 0.058 4.518 4.460 -0.001 0.000 0.277 82 C C 3.202 178.052 174.990 -0.234 0.000 1.262 82 C CA 0.426 59.314 59.018 -0.216 0.000 1.733 82 C CB -1.406 26.197 27.740 -0.228 0.000 2.010 82 C HN 0.656 nan 8.230 nan 0.000 0.483 83 A N 0.137 122.694 122.820 -0.438 0.000 1.877 83 A HA -0.164 4.156 4.320 -0.001 0.000 0.216 83 A C 2.289 179.819 177.584 -0.090 0.000 1.186 83 A CA 2.330 54.193 52.037 -0.289 0.000 0.620 83 A CB -0.851 17.753 19.000 -0.660 0.000 0.822 83 A HN 0.538 nan 8.150 nan 0.000 0.443 84 S N -1.024 114.591 115.700 -0.142 0.000 2.368 84 S HA -0.142 4.328 4.470 -0.001 0.000 0.225 84 S C 2.136 176.706 174.600 -0.050 0.000 1.030 84 S CA 1.171 59.324 58.200 -0.077 0.000 0.999 84 S CB -0.339 62.811 63.200 -0.083 0.000 0.844 84 S HN 0.594 nan 8.310 nan 0.000 0.459 85 R N 0.654 121.117 120.500 -0.061 0.000 2.096 85 R HA -0.067 4.272 4.340 -0.001 0.000 0.235 85 R C 2.299 178.599 176.300 0.001 0.000 1.127 85 R CA 1.129 57.204 56.100 -0.041 0.000 0.968 85 R CB -0.520 29.742 30.300 -0.063 0.000 0.861 85 R HN 0.359 nan 8.270 nan 0.000 0.440 86 L N 0.725 121.972 121.223 0.040 0.000 2.046 86 L HA -0.100 4.239 4.340 -0.001 0.000 0.208 86 L C 2.283 179.216 176.870 0.105 0.000 1.077 86 L CA 2.169 57.091 54.840 0.136 0.000 0.747 86 L CB -0.519 41.693 42.059 0.255 0.000 0.896 86 L HN 0.199 nan 8.230 nan 0.000 0.432 87 A N -0.834 122.017 122.820 0.053 0.000 1.872 87 A HA -0.068 4.251 4.320 -0.001 0.000 0.214 87 A C 2.161 179.726 177.584 -0.032 0.000 1.187 87 A CA 1.765 53.803 52.037 0.001 0.000 0.614 87 A CB -0.693 18.286 19.000 -0.035 0.000 0.826 87 A HN 0.468 nan 8.150 nan 0.000 0.442 88 L N -1.401 119.802 121.223 -0.032 0.000 2.375 88 L HA 0.291 4.631 4.340 -0.001 0.000 0.215 88 L C 1.151 178.001 176.870 -0.033 0.000 1.108 88 L CA 0.431 55.240 54.840 -0.051 0.000 0.830 88 L CB -0.701 41.329 42.059 -0.049 0.000 0.959 88 L HN 0.612 nan 8.230 nan 0.000 0.457 89 G N 0.551 109.345 108.800 -0.009 0.000 2.785 89 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.686 89 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.686 89 G C -0.340 174.553 174.900 -0.012 0.000 1.155 89 G CA -0.272 44.830 45.100 0.003 0.000 0.760 89 G HN 0.206 nan 8.290 nan 0.000 0.624 90 D N 0.326 120.719 120.400 -0.012 0.000 2.149 90 D HA -0.056 4.584 4.640 -0.001 0.000 0.198 90 D C 2.027 178.315 176.300 -0.020 0.000 0.990 90 D CA 1.951 55.936 54.000 -0.025 0.000 0.839 90 D CB 0.092 40.874 40.800 -0.030 0.000 0.948 90 D HN 0.692 nan 8.370 nan 0.000 0.460 91 D N -0.188 120.205 120.400 -0.012 0.000 2.328 91 D HA -0.006 4.633 4.640 -0.001 0.000 0.226 91 D C 0.174 176.465 176.300 -0.016 0.000 1.066 91 D CA -0.049 53.945 54.000 -0.011 0.000 0.861 91 D CB -0.449 40.350 40.800 -0.002 0.000 0.912 91 D HN -0.091 nan 8.370 nan 0.000 0.521 92 S N 1.823 117.510 115.700 -0.022 0.000 2.563 92 S HA 0.027 4.496 4.470 -0.001 0.000 0.294 92 S C -1.105 173.480 174.600 -0.025 0.000 1.279 92 S CA -0.932 57.250 58.200 -0.029 0.000 1.069 92 S CB 0.969 64.148 63.200 -0.034 0.000 0.828 92 S HN -0.002 nan 8.310 nan 0.000 0.497 93 P HA -0.095 nan 4.420 nan 0.000 0.216 93 P C 1.221 178.510 177.300 -0.018 0.000 1.150 93 P CA 1.569 64.656 63.100 -0.022 0.000 0.837 93 P CB -0.164 31.521 31.700 -0.025 0.000 0.786 94 A N -0.136 122.673 122.820 -0.019 0.000 1.930 94 A HA -0.113 4.206 4.320 -0.001 0.000 0.217 94 A C 2.411 179.987 177.584 -0.013 0.000 1.175 94 A CA 1.218 53.248 52.037 -0.011 0.000 0.627 94 A CB -1.520 17.477 19.000 -0.006 0.000 0.815 94 A HN 0.124 nan 8.150 nan 0.000 0.443 95 L N -0.900 120.311 121.223 -0.020 0.000 2.056 95 L HA -0.215 4.124 4.340 -0.001 0.000 0.207 95 L C 2.871 179.729 176.870 -0.020 0.000 1.078 95 L CA 1.369 56.195 54.840 -0.022 0.000 0.749 95 L CB -0.571 41.471 42.059 -0.028 0.000 0.901 95 L HN 0.480 nan 8.230 nan 0.000 0.433 96 Q N -0.010 119.779 119.800 -0.018 0.000 2.170 96 Q HA -0.209 4.131 4.340 -0.001 0.000 0.203 96 Q C 1.386 177.378 176.000 -0.013 0.000 0.976 96 Q CA 1.281 57.074 55.803 -0.016 0.000 0.858 96 Q CB -0.009 28.720 28.738 -0.015 0.000 0.907 96 Q HN 0.569 nan 8.270 nan 0.000 0.433 97 E N 0.311 120.504 120.200 -0.012 0.000 2.465 97 E HA 0.020 4.369 4.350 -0.001 0.000 0.191 97 E C -0.456 176.139 176.600 -0.008 0.000 1.053 97 E CA -0.156 56.239 56.400 -0.009 0.000 0.869 97 E CB 0.276 29.971 29.700 -0.007 0.000 0.977 97 E HN 0.061 nan 8.360 nan 0.000 0.483 98 K N 0.676 121.069 120.400 -0.010 0.000 3.096 98 K HA -0.231 4.089 4.320 -0.001 0.000 0.266 98 K C -0.269 176.328 176.600 -0.006 0.000 1.043 98 K CA 0.627 56.907 56.287 -0.011 0.000 0.758 98 K CB -1.200 31.294 32.500 -0.011 0.000 1.260 98 K HN 0.266 nan 8.250 nan 0.000 0.481 99 R N -0.971 119.528 120.500 -0.002 0.000 2.767 99 R HA 0.311 4.651 4.340 -0.001 0.000 0.377 99 R C -0.464 175.843 176.300 0.011 0.000 1.151 99 R CA -0.685 55.419 56.100 0.008 0.000 1.046 99 R CB 0.607 30.917 30.300 0.017 0.000 1.404 99 R HN -0.038 nan 8.270 nan 0.000 0.580 100 V N 0.144 120.057 119.914 -0.002 0.000 2.735 100 V HA 0.763 4.882 4.120 -0.001 0.000 0.310 100 V C 0.142 176.224 176.094 -0.021 0.000 1.061 100 V CA -0.819 61.477 62.300 -0.007 0.000 0.913 100 V CB 2.022 33.835 31.823 -0.017 0.000 1.005 100 V HN 0.473 nan 8.190 nan 0.000 0.428 101 G N 1.458 110.240 108.800 -0.031 0.000 2.574 101 G HA2 0.768 4.727 3.960 -0.001 0.000 0.299 101 G HA3 0.768 4.727 3.960 -0.001 0.000 0.299 101 G C -0.678 174.184 174.900 -0.063 0.000 1.298 101 G CA -0.487 44.584 45.100 -0.048 0.000 0.952 101 G HN 1.106 nan 8.290 nan 0.000 0.477 102 G N -0.996 107.770 108.800 -0.056 0.000 2.662 102 G HA2 0.569 4.529 3.960 -0.001 0.000 0.302 102 G HA3 0.569 4.529 3.960 -0.001 0.000 0.302 102 G C -1.483 173.409 174.900 -0.013 0.000 1.389 102 G CA -0.424 44.647 45.100 -0.049 0.000 0.998 102 G HN 0.843 nan 8.290 nan 0.000 0.502 103 V N 2.172 122.092 119.914 0.011 0.000 2.378 103 V HA 0.356 4.475 4.120 -0.001 0.000 0.288 103 V C 0.359 176.557 176.094 0.172 0.000 1.016 103 V CA -0.772 61.572 62.300 0.073 0.000 0.840 103 V CB 1.377 33.221 31.823 0.035 0.000 0.994 103 V HN 0.875 nan 8.190 nan 0.000 0.431 104 Q N 3.298 123.233 119.800 0.226 0.000 2.330 104 Q HA 0.394 4.734 4.340 -0.001 0.000 0.279 104 Q C 0.110 176.249 176.000 0.231 0.000 1.024 104 Q CA 0.173 56.146 55.803 0.283 0.000 0.900 104 Q CB 0.852 29.701 28.738 0.185 0.000 1.221 104 Q HN 0.997 nan 8.270 nan 0.000 0.396 105 S N 3.242 119.032 115.700 0.150 0.000 2.685 105 S HA 0.423 4.893 4.470 -0.001 0.000 0.282 105 S C -0.727 173.723 174.600 -0.251 0.000 1.159 105 S CA -1.041 57.204 58.200 0.075 0.000 0.833 105 S CB 0.821 64.195 63.200 0.290 0.000 1.151 105 S HN 0.584 nan 8.310 nan 0.000 0.485 106 L N 2.803 123.682 121.223 -0.573 0.000 2.395 106 L HA 0.431 4.770 4.340 -0.001 0.000 0.268 106 L C 1.449 178.215 176.870 -0.173 0.000 1.223 106 L CA 1.735 56.277 54.840 -0.497 0.000 1.093 106 L CB -1.044 40.556 42.059 -0.766 0.000 1.349 106 L HN 1.296 nan 8.230 nan 0.000 0.427 107 G N 2.617 111.356 108.800 -0.102 0.000 2.752 107 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.234 107 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.234 107 G C 0.899 175.810 174.900 0.018 0.000 1.367 107 G CA -0.208 44.879 45.100 -0.022 0.000 0.879 107 G HN 0.673 nan 8.290 nan 0.000 0.563 108 G N -1.656 107.134 108.800 -0.016 0.000 2.422 108 G HA2 0.057 4.017 3.960 -0.001 0.000 0.218 108 G HA3 0.057 4.017 3.960 -0.001 0.000 0.218 108 G C 1.874 176.814 174.900 0.065 0.000 1.146 108 G CA 2.354 47.441 45.100 -0.023 0.000 0.769 108 G HN 1.195 nan 8.290 nan 0.000 0.547 109 T N 1.075 115.699 114.554 0.117 0.000 2.652 109 T HA -0.084 4.266 4.350 -0.001 0.000 0.267 109 T C 2.516 177.345 174.700 0.215 0.000 1.039 109 T CA 1.564 63.811 62.100 0.245 0.000 1.153 109 T CB -0.685 68.352 68.868 0.281 0.000 0.863 109 T HN 0.349 nan 8.240 nan 0.000 0.428 110 G N 1.065 109.973 108.800 0.180 0.000 2.440 110 G HA2 -0.073 3.887 3.960 -0.001 0.000 0.218 110 G HA3 -0.073 3.887 3.960 -0.001 0.000 0.218 110 G C 1.834 176.948 174.900 0.357 0.000 1.154 110 G CA 0.987 46.267 45.100 0.298 0.000 0.767 110 G HN 0.594 nan 8.290 nan 0.000 0.552 111 A N 0.578 123.549 122.820 0.253 0.000 1.877 111 A HA 0.072 4.392 4.320 -0.001 0.000 0.216 111 A C 2.452 180.218 177.584 0.303 0.000 1.186 111 A CA 1.362 53.551 52.037 0.253 0.000 0.620 111 A CB -0.443 18.679 19.000 0.203 0.000 0.822 111 A HN 0.356 nan 8.150 nan 0.000 0.443 112 L N -1.239 120.140 121.223 0.260 0.000 2.046 112 L HA -0.193 4.147 4.340 -0.001 0.000 0.208 112 L C 2.774 179.726 176.870 0.137 0.000 1.077 112 L CA 1.732 56.688 54.840 0.193 0.000 0.747 112 L CB -0.400 41.717 42.059 0.095 0.000 0.896 112 L HN 0.376 nan 8.230 nan 0.000 0.432 113 R N 0.546 121.131 120.500 0.142 0.000 2.073 113 R HA -0.148 4.191 4.340 -0.001 0.000 0.234 113 R C 2.083 178.464 176.300 0.134 0.000 1.134 113 R CA 1.661 57.818 56.100 0.095 0.000 0.952 113 R CB -0.467 29.922 30.300 0.148 0.000 0.850 113 R HN 0.123 nan 8.270 nan 0.000 0.433 114 I N 0.225 120.905 120.570 0.184 0.000 2.226 114 I HA -0.094 4.076 4.170 -0.001 0.000 0.245 114 I C 2.237 178.490 176.117 0.226 0.000 1.100 114 I CA 1.799 63.183 61.300 0.140 0.000 1.374 114 I CB -1.763 36.305 38.000 0.114 0.000 1.057 114 I HN 0.416 nan 8.210 nan 0.000 0.413 115 G N 0.598 109.576 108.800 0.298 0.000 2.421 115 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.216 115 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.216 115 G C 1.863 177.190 174.900 0.712 0.000 1.171 115 G CA 1.111 46.491 45.100 0.467 0.000 0.775 115 G HN 0.491 nan 8.290 nan 0.000 0.543 116 A N 0.597 123.739 122.820 0.537 0.000 1.902 116 A HA -0.034 4.286 4.320 -0.001 0.000 0.217 116 A C 2.248 180.079 177.584 0.410 0.000 1.181 116 A CA 1.982 54.257 52.037 0.397 0.000 0.623 116 A CB -0.341 18.492 19.000 -0.280 0.000 0.818 116 A HN 0.299 nan 8.150 nan 0.000 0.443 117 E N -0.941 119.411 120.200 0.253 0.000 2.077 117 E HA -0.188 4.162 4.350 -0.001 0.000 0.193 117 E C 1.763 178.494 176.600 0.218 0.000 0.989 117 E CA 1.225 57.720 56.400 0.159 0.000 0.800 117 E CB -0.501 29.258 29.700 0.099 0.000 0.746 117 E HN 0.718 nan 8.360 nan 0.000 0.452 118 F N 1.495 121.588 119.950 0.238 0.000 2.075 118 F HA -0.169 4.357 4.527 -0.001 0.000 0.297 118 F C 2.215 178.219 175.800 0.341 0.000 1.113 118 F CA 1.221 59.422 58.000 0.334 0.000 1.218 118 F CB -0.296 38.934 39.000 0.384 0.000 0.984 118 F HN -0.092 nan 8.300 nan 0.000 0.472 119 L N 0.247 121.804 121.223 0.556 0.000 2.042 119 L HA -0.222 4.118 4.340 -0.001 0.000 0.210 119 L C 2.743 179.799 176.870 0.309 0.000 1.076 119 L CA 1.235 56.328 54.840 0.421 0.000 0.749 119 L CB -1.290 41.018 42.059 0.415 0.000 0.893 119 L HN 0.268 nan 8.230 nan 0.000 0.432 120 A N -0.302 122.622 122.820 0.173 0.000 2.121 120 A HA -0.136 4.184 4.320 -0.001 0.000 0.218 120 A C 2.345 179.737 177.584 -0.320 0.000 1.154 120 A CA 1.304 53.170 52.037 -0.286 0.000 0.679 120 A CB -0.328 18.360 19.000 -0.520 0.000 0.795 120 A HN 0.393 nan 8.150 nan 0.000 0.458 121 R N -3.178 117.085 120.500 -0.395 0.000 2.191 121 R HA 0.081 4.421 4.340 -0.001 0.000 0.196 121 R C 0.942 176.675 176.300 -0.944 0.000 0.991 121 R CA 0.752 56.381 56.100 -0.786 0.000 1.075 121 R CB 0.047 29.672 30.300 -1.126 0.000 1.040 121 R HN 0.688 nan 8.270 nan 0.000 0.526 122 W N -1.072 120.003 121.300 -0.375 0.000 2.870 122 W HA 0.257 4.917 4.660 -0.001 0.000 0.358 122 W C -0.230 176.181 176.519 -0.179 0.000 1.043 122 W CA -0.760 56.361 57.345 -0.372 0.000 1.692 122 W CB 0.540 29.552 29.460 -0.747 0.000 1.100 122 W HN -0.088 nan 8.180 nan 0.000 0.557 123 Y N 2.316 122.585 120.300 -0.051 0.000 2.342 123 Y HA 0.270 4.819 4.550 -0.001 0.000 0.334 123 Y C 1.022 176.899 175.900 -0.038 0.000 1.067 123 Y CA -0.787 57.302 58.100 -0.019 0.000 1.128 123 Y CB 0.526 38.969 38.460 -0.028 0.000 1.200 123 Y HN 0.155 nan 8.280 nan 0.000 0.464 124 N N 3.739 121.946 118.700 -0.822 0.000 2.740 124 N HA -0.182 4.558 4.740 -0.001 0.000 0.248 124 N C -0.103 175.214 175.510 -0.322 0.000 1.062 124 N CA 0.680 53.298 53.050 -0.720 0.000 0.704 124 N CB -1.178 36.913 38.487 -0.660 0.000 0.968 124 N HN 1.437 nan 8.380 nan 0.000 0.547 125 G N -1.610 107.048 108.800 -0.237 0.000 2.422 125 G HA2 -0.110 3.850 3.960 -0.001 0.000 0.607 125 G HA3 -0.110 3.850 3.960 -0.001 0.000 0.607 125 G C -0.801 174.040 174.900 -0.099 0.000 1.270 125 G CA -0.200 44.818 45.100 -0.136 0.000 0.992 125 G HN 0.252 nan 8.290 nan 0.000 0.499 126 T N 1.813 116.303 114.554 -0.107 0.000 2.758 126 T HA 0.551 4.901 4.350 -0.001 0.000 0.285 126 T C 0.446 175.004 174.700 -0.236 0.000 0.981 126 T CA 0.221 62.211 62.100 -0.183 0.000 0.965 126 T CB 0.866 69.655 68.868 -0.132 0.000 0.927 126 T HN 1.064 nan 8.240 nan 0.000 0.448 127 N N 2.404 120.893 118.700 -0.352 0.000 2.725 127 N HA -0.169 4.571 4.740 -0.001 0.000 0.251 127 N C -0.611 174.777 175.510 -0.202 0.000 1.031 127 N CA 0.399 53.264 53.050 -0.308 0.000 0.720 127 N CB -0.947 37.369 38.487 -0.284 0.000 0.930 127 N HN 0.592 nan 8.380 nan 0.000 0.543 128 N N 0.653 119.261 118.700 -0.154 0.000 2.462 128 N HA 0.222 4.962 4.740 -0.001 0.000 0.242 128 N C 0.547 176.024 175.510 -0.055 0.000 1.010 128 N CA -0.250 52.759 53.050 -0.068 0.000 0.939 128 N CB 0.712 39.187 38.487 -0.020 0.000 1.127 128 N HN 0.096 nan 8.380 nan 0.000 0.509 129 K N 1.251 121.592 120.400 -0.098 0.000 2.374 129 K HA 0.212 4.531 4.320 -0.001 0.000 0.196 129 K C 0.094 176.747 176.600 0.089 0.000 1.023 129 K CA 0.169 56.359 56.287 -0.162 0.000 1.103 129 K CB 0.650 33.023 32.500 -0.212 0.000 0.848 129 K HN 0.473 nan 8.250 nan 0.000 0.528 130 D N 0.065 120.539 120.400 0.123 0.000 2.354 130 D HA -0.066 4.573 4.640 -0.001 0.000 0.209 130 D C 0.391 176.828 176.300 0.228 0.000 1.015 130 D CA 0.492 54.585 54.000 0.155 0.000 0.867 130 D CB 0.254 41.108 40.800 0.091 0.000 0.933 130 D HN 0.098 nan 8.370 nan 0.000 0.520 131 T N 2.096 116.844 114.554 0.324 0.000 2.867 131 T HA 0.147 4.497 4.350 -0.001 0.000 0.297 131 T C -2.639 172.223 174.700 0.270 0.000 0.989 131 T CA -1.374 60.926 62.100 0.333 0.000 1.159 131 T CB 1.113 70.224 68.868 0.405 0.000 0.928 131 T HN -0.224 nan 8.240 nan 0.000 0.538 132 P HA 0.244 nan 4.420 nan 0.000 0.268 132 P C -1.047 176.253 177.300 -0.001 0.000 1.205 132 P CA -0.373 62.772 63.100 0.075 0.000 0.771 132 P CB 0.585 32.363 31.700 0.130 0.000 0.858 133 V N 4.645 124.431 119.914 -0.214 0.000 2.448 133 V HA 0.320 4.440 4.120 -0.001 0.000 0.295 133 V C -0.699 175.139 176.094 -0.428 0.000 1.025 133 V CA -0.440 61.636 62.300 -0.373 0.000 0.859 133 V CB 0.796 32.252 31.823 -0.612 0.000 0.988 133 V HN 0.389 nan 8.190 nan 0.000 0.431 134 Y N 3.692 123.658 120.300 -0.557 0.000 2.341 134 Y HA 0.694 5.243 4.550 -0.001 0.000 0.337 134 Y C 0.233 175.930 175.900 -0.339 0.000 1.014 134 Y CA -0.757 57.033 58.100 -0.517 0.000 1.111 134 Y CB 2.132 39.951 38.460 -1.069 0.000 1.194 134 Y HN 0.544 nan 8.280 nan 0.000 0.462 135 V N -0.266 119.551 119.914 -0.161 0.000 2.960 135 V HA 0.790 4.909 4.120 -0.001 0.000 0.315 135 V C -0.079 175.613 176.094 -0.670 0.000 1.087 135 V CA -1.215 60.944 62.300 -0.235 0.000 0.982 135 V CB 1.501 33.224 31.823 -0.167 0.000 1.039 135 V HN 0.767 nan 8.190 nan 0.000 0.437 136 S N 1.533 116.748 115.700 -0.808 0.000 2.593 136 S HA 0.457 4.927 4.470 -0.001 0.000 0.269 136 S C 0.244 174.538 174.600 -0.509 0.000 1.334 136 S CA -0.001 57.473 58.200 -1.210 0.000 1.015 136 S CB 1.205 63.870 63.200 -0.892 0.000 0.912 136 S HN 1.440 nan 8.310 nan 0.000 0.541 137 S N 3.098 118.574 115.700 -0.374 0.000 2.532 137 S HA 0.534 5.004 4.470 -0.001 0.000 0.318 137 S C -2.348 172.262 174.600 0.016 0.000 1.083 137 S CA -1.610 56.524 58.200 -0.109 0.000 1.131 137 S CB 0.264 63.441 63.200 -0.040 0.000 0.973 137 S HN 0.704 nan 8.310 nan 0.000 0.468 138 P HA 0.510 nan 4.420 nan 0.000 0.284 138 P C -0.403 176.853 177.300 -0.072 0.000 1.292 138 P CA -0.400 62.668 63.100 -0.053 0.000 0.800 138 P CB 1.401 33.068 31.700 -0.056 0.000 1.188 139 T N -1.875 112.646 114.554 -0.055 0.000 2.787 139 T HA 0.356 4.706 4.350 -0.001 0.000 0.297 139 T C -1.819 172.883 174.700 0.003 0.000 1.221 139 T CA -0.537 61.564 62.100 0.002 0.000 1.006 139 T CB 0.285 69.268 68.868 0.192 0.000 1.328 139 T HN 0.373 nan 8.240 nan 0.000 0.509 140 W N 3.058 124.234 121.300 -0.207 0.000 2.505 140 W HA 0.226 4.885 4.660 -0.001 0.000 0.332 140 W C 1.031 177.386 176.519 -0.273 0.000 1.434 140 W CA -0.196 56.963 57.345 -0.310 0.000 1.320 140 W CB 0.007 29.192 29.460 -0.457 0.000 1.363 140 W HN 0.887 nan 8.180 nan 0.000 0.565 141 E N 2.821 122.721 120.200 -0.500 0.000 2.197 141 E HA -0.392 3.958 4.350 -0.001 0.000 0.205 141 E C 1.545 177.803 176.600 -0.570 0.000 1.029 141 E CA 2.163 58.284 56.400 -0.466 0.000 0.828 141 E CB -0.383 29.052 29.700 -0.440 0.000 0.737 141 E HN 0.490 nan 8.360 nan 0.000 0.464 142 N N -0.654 117.361 118.700 -1.142 0.000 2.467 142 N HA -0.031 4.709 4.740 -0.001 0.000 0.184 142 N C 0.975 176.253 175.510 -0.386 0.000 1.106 142 N CA 0.473 52.972 53.050 -0.918 0.000 0.892 142 N CB 0.012 37.557 38.487 -1.570 0.000 0.969 142 N HN 0.429 nan 8.380 nan 0.000 0.454 143 H N -0.543 118.427 119.070 -0.167 0.000 2.321 143 H HA -0.055 4.501 4.556 -0.000 0.000 0.300 143 H C 1.321 176.758 175.328 0.181 0.000 1.087 143 H CA 1.557 57.700 56.048 0.158 0.000 1.319 143 H CB 0.165 30.018 29.762 0.151 0.000 1.379 143 H HN 0.312 nan 8.280 nan 0.000 0.501 144 N N -0.109 118.693 118.700 0.171 0.000 2.069 144 N HA -0.146 4.593 4.740 -0.001 0.000 0.191 144 N C 2.152 177.741 175.510 0.132 0.000 1.031 144 N CA 1.174 54.295 53.050 0.118 0.000 0.852 144 N CB -0.625 37.877 38.487 0.026 0.000 1.018 144 N HN 0.356 nan 8.380 nan 0.000 0.423 145 G N 0.568 109.395 108.800 0.045 0.000 2.446 145 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.217 145 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.217 145 G C 1.589 176.521 174.900 0.055 0.000 1.168 145 G CA 0.945 46.058 45.100 0.022 0.000 0.771 145 G HN 0.192 nan 8.290 nan 0.000 0.551 146 V N 0.205 120.156 119.914 0.061 0.000 2.295 146 V HA -0.116 4.003 4.120 -0.001 0.000 0.246 146 V C 2.527 178.580 176.094 -0.067 0.000 1.049 146 V CA 1.681 63.972 62.300 -0.016 0.000 1.024 146 V CB -0.597 31.196 31.823 -0.050 0.000 0.648 146 V HN 0.339 nan 8.190 nan 0.000 0.447 147 F N 0.359 120.385 119.950 0.126 0.000 2.186 147 F HA -0.143 4.383 4.527 -0.001 0.000 0.299 147 F C 2.593 178.548 175.800 0.258 0.000 1.090 147 F CA 1.857 59.981 58.000 0.207 0.000 1.307 147 F CB -0.997 38.043 39.000 0.066 0.000 1.019 147 F HN 0.062 nan 8.300 nan 0.000 0.489 148 T N -1.163 113.565 114.554 0.290 0.000 2.777 148 T HA -0.157 4.193 4.350 -0.001 0.000 0.266 148 T C 1.993 176.767 174.700 0.123 0.000 1.040 148 T CA 1.958 64.174 62.100 0.192 0.000 1.141 148 T CB -0.520 68.417 68.868 0.116 0.000 0.868 148 T HN 0.223 nan 8.240 nan 0.000 0.444 149 T N 1.974 116.581 114.554 0.088 0.000 2.833 149 T HA 0.020 4.369 4.350 -0.001 0.000 0.269 149 T C 2.248 176.964 174.700 0.027 0.000 1.054 149 T CA 1.011 63.136 62.100 0.042 0.000 1.135 149 T CB -0.400 68.484 68.868 0.028 0.000 0.869 149 T HN 0.410 nan 8.240 nan 0.000 0.466 150 A N 0.314 123.165 122.820 0.052 0.000 2.172 150 A HA 0.424 4.744 4.320 -0.001 0.000 0.216 150 A C 2.052 179.578 177.584 -0.096 0.000 1.154 150 A CA 1.303 53.349 52.037 0.014 0.000 0.701 150 A CB -0.689 18.366 19.000 0.091 0.000 0.789 150 A HN 0.727 nan 8.150 nan 0.000 0.465 151 G N -2.597 106.168 108.800 -0.057 0.000 2.211 151 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.201 151 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.201 151 G C 0.004 174.805 174.900 -0.164 0.000 0.997 151 G CA -0.214 44.794 45.100 -0.152 0.000 0.652 151 G HN 0.280 nan 8.290 nan 0.000 0.500 152 F N 1.887 121.889 119.950 0.087 0.000 2.578 152 F HA 0.390 4.916 4.527 -0.001 0.000 0.381 152 F C 1.735 177.573 175.800 0.064 0.000 1.069 152 F CA 0.594 58.655 58.000 0.102 0.000 1.231 152 F CB 0.938 40.044 39.000 0.176 0.000 1.086 152 F HN -0.036 nan 8.300 nan 0.000 0.564 153 K N 0.687 121.215 120.400 0.213 0.000 2.356 153 K HA -0.011 4.309 4.320 -0.001 0.000 0.195 153 K C -0.058 176.603 176.600 0.102 0.000 1.037 153 K CA 0.484 56.841 56.287 0.118 0.000 1.014 153 K CB 0.253 32.795 32.500 0.071 0.000 0.815 153 K HN 0.423 nan 8.250 nan 0.000 0.507 154 D N 1.335 121.810 120.400 0.124 0.000 2.404 154 D HA 0.159 4.799 4.640 -0.001 0.000 0.267 154 D C -0.990 175.284 176.300 -0.043 0.000 1.194 154 D CA -0.352 53.669 54.000 0.036 0.000 0.910 154 D CB 0.362 41.191 40.800 0.048 0.000 1.090 154 D HN -0.066 nan 8.370 nan 0.000 0.511 155 I N 3.223 123.754 120.570 -0.066 0.000 2.331 155 I HA 0.406 4.576 4.170 -0.001 0.000 0.292 155 I C 0.799 176.775 176.117 -0.236 0.000 0.998 155 I CA -0.503 60.705 61.300 -0.153 0.000 1.267 155 I CB 1.131 39.087 38.000 -0.074 0.000 1.386 155 I HN 0.078 nan 8.210 nan 0.000 0.476 156 R N 3.308 123.553 120.500 -0.425 0.000 2.919 156 R HA 0.688 5.028 4.340 -0.001 0.000 0.260 156 R C -0.656 175.428 176.300 -0.360 0.000 1.067 156 R CA -0.821 54.987 56.100 -0.488 0.000 1.003 156 R CB 2.159 31.856 30.300 -1.005 0.000 1.192 156 R HN 0.508 nan 8.270 nan 0.000 0.488 157 S N 0.293 115.883 115.700 -0.183 0.000 2.532 157 S HA 0.489 4.958 4.470 -0.001 0.000 0.301 157 S C -1.456 173.239 174.600 0.159 0.000 1.083 157 S CA -0.717 57.435 58.200 -0.081 0.000 1.025 157 S CB 0.940 64.093 63.200 -0.078 0.000 1.056 157 S HN 0.458 nan 8.310 nan 0.000 0.494 158 Y N 0.000 120.392 120.300 0.153 0.000 2.409 158 Y HA 0.690 5.239 4.550 -0.000 0.000 0.339 158 Y C 0.101 176.047 175.900 0.077 0.000 1.033 158 Y CA -1.374 56.850 58.100 0.207 0.000 1.094 158 Y CB 0.487 39.127 38.460 0.299 0.000 1.210 158 Y HN 0.412 nan 8.280 nan 0.000 0.456 159 R N 1.876 122.535 120.500 0.266 0.000 2.640 159 R HA 0.051 4.391 4.340 -0.001 0.000 0.270 159 R C -0.868 175.527 176.300 0.158 0.000 1.024 159 R CA 0.683 56.881 56.100 0.162 0.000 1.085 159 R CB 0.229 30.623 30.300 0.155 0.000 0.963 159 R HN 0.982 nan 8.270 nan 0.000 0.426 160 Y N 1.229 121.491 120.300 -0.062 0.000 3.331 160 Y HA 0.063 4.613 4.550 -0.001 0.000 0.172 160 Y C -0.861 175.014 175.900 -0.043 0.000 0.942 160 Y CA -0.192 57.831 58.100 -0.128 0.000 1.797 160 Y CB 0.406 38.692 38.460 -0.291 0.000 1.426 160 Y HN 0.630 nan 8.280 nan 0.000 0.316 161 W N 4.584 125.848 121.300 -0.059 0.000 2.322 161 W HA 0.338 4.997 4.660 -0.000 0.000 0.307 161 W C -1.075 175.405 176.519 -0.065 0.000 1.220 161 W CA -0.053 57.230 57.345 -0.103 0.000 1.210 161 W CB 1.049 30.483 29.460 -0.044 0.000 1.223 161 W HN 0.174 nan 8.180 nan 0.000 0.511 162 D N 4.610 124.500 120.400 -0.851 0.000 2.412 162 D HA 0.097 4.737 4.640 -0.001 0.000 0.224 162 D C 1.244 176.897 176.300 -1.078 0.000 1.093 162 D CA -0.038 53.533 54.000 -0.714 0.000 0.850 162 D CB 1.504 42.002 40.800 -0.505 0.000 1.046 162 D HN 0.395 nan 8.370 nan 0.000 0.507 163 T N 2.426 116.592 114.554 -0.645 0.000 2.684 163 T HA -0.170 4.179 4.350 -0.001 0.000 0.267 163 T C 1.547 176.082 174.700 -0.275 0.000 1.036 163 T CA 0.853 62.774 62.100 -0.299 0.000 1.148 163 T CB 0.151 69.019 68.868 0.000 0.000 0.863 163 T HN 0.461 nan 8.240 nan 0.000 0.436 164 E N 0.706 120.750 120.200 -0.260 0.000 2.028 164 E HA -0.115 4.235 4.350 -0.001 0.000 0.191 164 E C 2.106 178.539 176.600 -0.277 0.000 0.988 164 E CA 0.860 57.130 56.400 -0.217 0.000 0.799 164 E CB 0.073 29.676 29.700 -0.163 0.000 0.755 164 E HN 0.252 nan 8.360 nan 0.000 0.447 165 K N 0.340 120.535 120.400 -0.342 0.000 2.432 165 K HA 0.021 4.341 4.320 -0.001 0.000 0.196 165 K C 0.375 176.709 176.600 -0.443 0.000 1.038 165 K CA 0.128 56.211 56.287 -0.340 0.000 0.986 165 K CB -0.065 32.251 32.500 -0.306 0.000 0.782 165 K HN 0.115 nan 8.250 nan 0.000 0.485 166 R N -0.101 120.005 120.500 -0.656 0.000 3.336 166 R HA -0.174 4.166 4.340 -0.001 0.000 0.260 166 R C 0.403 176.287 176.300 -0.694 0.000 1.032 166 R CA 0.485 56.109 56.100 -0.793 0.000 0.693 166 R CB -1.834 28.094 30.300 -0.621 0.000 1.134 166 R HN 0.482 nan 8.270 nan 0.000 0.433 167 G N -0.858 107.389 108.800 -0.922 0.000 2.561 167 G HA2 0.482 4.442 3.960 -0.001 0.000 0.310 167 G HA3 0.482 4.442 3.960 -0.001 0.000 0.310 167 G C -1.564 173.061 174.900 -0.457 0.000 1.292 167 G CA -1.032 43.822 45.100 -0.409 0.000 0.811 167 G HN 0.078 nan 8.290 nan 0.000 0.482 168 L N 0.903 121.940 121.223 -0.310 0.000 2.410 168 L HA 0.476 4.815 4.340 -0.001 0.000 0.273 168 L C -0.079 176.607 176.870 -0.306 0.000 1.152 168 L CA -0.417 54.186 54.840 -0.395 0.000 0.855 168 L CB 1.119 42.952 42.059 -0.377 0.000 1.129 168 L HN 0.468 nan 8.230 nan 0.000 0.463 169 D N 4.022 124.254 120.400 -0.280 0.000 2.558 169 D HA 0.007 4.646 4.640 -0.001 0.000 0.221 169 D C 1.035 177.305 176.300 -0.050 0.000 1.143 169 D CA -0.094 53.816 54.000 -0.151 0.000 1.010 169 D CB 0.077 40.811 40.800 -0.110 0.000 1.068 169 D HN 0.607 nan 8.370 nan 0.000 0.511 170 L N 2.437 123.618 121.223 -0.069 0.000 2.046 170 L HA -0.176 4.164 4.340 -0.001 0.000 0.208 170 L C 1.924 178.799 176.870 0.009 0.000 1.077 170 L CA 1.688 56.516 54.840 -0.020 0.000 0.747 170 L CB -0.218 41.790 42.059 -0.085 0.000 0.896 170 L HN 0.258 nan 8.230 nan 0.000 0.432 171 Q N -0.117 119.673 119.800 -0.015 0.000 2.096 171 Q HA -0.121 4.219 4.340 -0.001 0.000 0.204 171 Q C 2.175 178.200 176.000 0.042 0.000 0.982 171 Q CA 1.654 57.454 55.803 -0.005 0.000 0.850 171 Q CB -1.065 27.660 28.738 -0.021 0.000 0.901 171 Q HN 0.659 nan 8.270 nan 0.000 0.422 172 G N 0.337 109.177 108.800 0.068 0.000 2.404 172 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.215 172 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.215 172 G C 1.283 176.324 174.900 0.234 0.000 1.174 172 G CA 0.532 45.703 45.100 0.118 0.000 0.780 172 G HN 0.301 nan 8.290 nan 0.000 0.537 173 F N 1.806 121.790 119.950 0.058 0.000 2.065 173 F HA -0.044 4.483 4.527 -0.000 0.000 0.298 173 F C 2.541 178.348 175.800 0.012 0.000 1.112 173 F CA 1.120 59.180 58.000 0.100 0.000 1.212 173 F CB -0.914 38.128 39.000 0.070 0.000 0.975 173 F HN 0.069 nan 8.300 nan 0.000 0.476 174 L N -0.397 120.855 121.223 0.049 0.000 2.079 174 L HA -0.255 4.084 4.340 -0.001 0.000 0.210 174 L C 2.448 179.306 176.870 -0.019 0.000 1.081 174 L CA 1.515 56.294 54.840 -0.102 0.000 0.752 174 L CB -0.994 40.985 42.059 -0.133 0.000 0.896 174 L HN 0.059 nan 8.230 nan 0.000 0.433 175 S N -0.423 115.307 115.700 0.049 0.000 2.382 175 S HA -0.172 4.298 4.470 -0.001 0.000 0.228 175 S C 1.523 176.181 174.600 0.097 0.000 1.027 175 S CA 1.312 59.547 58.200 0.057 0.000 0.991 175 S CB -0.316 62.925 63.200 0.067 0.000 0.823 175 S HN 0.443 nan 8.310 nan 0.000 0.469 176 D N 1.611 122.118 120.400 0.180 0.000 2.144 176 D HA -0.009 4.630 4.640 -0.001 0.000 0.199 176 D C 1.888 178.280 176.300 0.154 0.000 0.984 176 D CA 0.695 54.849 54.000 0.256 0.000 0.834 176 D CB -0.359 40.696 40.800 0.424 0.000 0.955 176 D HN 0.306 nan 8.370 nan 0.000 0.465 177 L N 0.845 122.090 121.223 0.036 0.000 2.027 177 L HA -0.131 4.209 4.340 -0.001 0.000 0.206 177 L C 2.397 179.183 176.870 -0.140 0.000 1.074 177 L CA 0.959 55.671 54.840 -0.214 0.000 0.745 177 L CB -0.246 41.578 42.059 -0.393 0.000 0.898 177 L HN -0.100 nan 8.230 nan 0.000 0.433 178 E N 0.118 120.270 120.200 -0.081 0.000 2.153 178 E HA -0.165 4.185 4.350 -0.001 0.000 0.194 178 E C 1.554 178.145 176.600 -0.016 0.000 0.988 178 E CA 0.912 57.275 56.400 -0.061 0.000 0.811 178 E CB -0.221 29.454 29.700 -0.042 0.000 0.746 178 E HN 0.503 nan 8.360 nan 0.000 0.466 179 N N 0.123 118.844 118.700 0.034 0.000 2.280 179 N HA 0.068 4.808 4.740 -0.001 0.000 0.192 179 N C 0.054 175.640 175.510 0.126 0.000 1.109 179 N CA 0.070 53.168 53.050 0.080 0.000 0.855 179 N CB 0.565 39.117 38.487 0.109 0.000 0.974 179 N HN -0.046 nan 8.380 nan 0.000 0.482 180 A N 2.442 125.321 122.820 0.098 0.000 2.440 180 A HA 0.347 4.667 4.320 -0.001 0.000 0.251 180 A C -2.185 175.496 177.584 0.160 0.000 1.089 180 A CA -0.907 51.226 52.037 0.160 0.000 0.779 180 A CB -0.037 18.985 19.000 0.038 0.000 1.022 180 A HN -0.045 nan 8.150 nan 0.000 0.492 181 P HA 0.169 nan 4.420 nan 0.000 0.267 181 P C -0.371 177.045 177.300 0.192 0.000 1.200 181 P CA 0.063 63.282 63.100 0.198 0.000 0.772 181 P CB 0.362 32.203 31.700 0.235 0.000 0.855 182 E N 1.627 121.905 120.200 0.129 0.000 2.437 182 E HA 0.048 4.397 4.350 -0.001 0.000 0.263 182 E C -0.028 176.695 176.600 0.206 0.000 1.030 182 E CA 0.595 57.008 56.400 0.021 0.000 0.934 182 E CB -0.376 29.294 29.700 -0.050 0.000 0.943 182 E HN 0.359 nan 8.360 nan 0.000 0.444 183 F N -1.019 119.147 119.950 0.360 0.000 2.656 183 F HA -0.310 4.217 4.527 -0.001 0.000 0.381 183 F C 0.725 176.817 175.800 0.487 0.000 0.603 183 F CA 0.734 58.983 58.000 0.415 0.000 1.335 183 F CB -1.935 37.204 39.000 0.233 0.000 1.836 183 F HN 0.256 nan 8.300 nan 0.000 0.290 184 S N 0.942 116.956 115.700 0.523 0.000 2.566 184 S HA 0.403 4.873 4.470 -0.001 0.000 0.280 184 S C 0.437 175.347 174.600 0.517 0.000 1.343 184 S CA -0.125 58.373 58.200 0.497 0.000 1.036 184 S CB 0.594 64.102 63.200 0.515 0.000 0.866 184 S HN 0.215 nan 8.310 nan 0.000 0.526 185 I N 2.531 123.306 120.570 0.342 0.000 2.353 185 I HA 0.341 4.510 4.170 -0.001 0.000 0.293 185 I C -0.837 175.376 176.117 0.161 0.000 0.992 185 I CA -0.165 61.298 61.300 0.272 0.000 1.268 185 I CB 0.711 38.720 38.000 0.016 0.000 1.387 185 I HN 0.396 nan 8.210 nan 0.000 0.478 186 F N 5.489 125.505 119.950 0.111 0.000 2.426 186 F HA 0.405 4.931 4.527 -0.000 0.000 0.348 186 F C -0.028 175.762 175.800 -0.016 0.000 1.124 186 F CA -0.720 57.314 58.000 0.056 0.000 1.008 186 F CB 1.691 40.672 39.000 -0.032 0.000 1.139 186 F HN 0.005 nan 8.300 nan 0.000 0.452 187 V N 6.131 126.048 119.914 0.004 0.000 2.385 187 V HA 0.307 4.427 4.120 -0.001 0.000 0.269 187 V C -0.060 176.050 176.094 0.028 0.000 1.043 187 V CA -0.452 61.750 62.300 -0.163 0.000 0.906 187 V CB 0.651 32.138 31.823 -0.560 0.000 0.995 187 V HN 0.490 nan 8.190 nan 0.000 0.467 188 L N 5.080 126.279 121.223 -0.039 0.000 2.346 188 L HA 0.557 4.897 4.340 -0.001 0.000 0.276 188 L C 0.060 177.058 176.870 0.214 0.000 1.006 188 L CA -0.672 54.248 54.840 0.133 0.000 0.817 188 L CB 1.488 43.411 42.059 -0.226 0.000 1.272 188 L HN 0.570 nan 8.230 nan 0.000 0.421 189 H N 2.226 121.521 119.070 0.376 0.000 2.742 189 H HA 0.142 4.698 4.556 -0.001 0.000 0.302 189 H C 0.647 176.325 175.328 0.584 0.000 1.069 189 H CA -0.079 56.212 56.048 0.405 0.000 1.446 189 H CB 1.827 31.796 29.762 0.346 0.000 1.462 189 H HN 0.890 nan 8.280 nan 0.000 0.499 190 A N 3.908 127.079 122.820 0.585 0.000 1.902 190 A HA -0.087 4.233 4.320 -0.001 0.000 0.217 190 A C 1.184 179.052 177.584 0.472 0.000 1.181 190 A CA 1.497 53.806 52.037 0.454 0.000 0.623 190 A CB -0.268 18.827 19.000 0.158 0.000 0.818 190 A HN 0.855 nan 8.150 nan 0.000 0.443 191 C N -6.589 112.999 119.300 0.481 0.000 3.292 191 C HA 0.678 5.138 4.460 -0.001 0.000 0.338 191 C C 0.461 175.704 174.990 0.422 0.000 1.323 191 C CA -0.658 58.631 59.018 0.452 0.000 1.232 191 C CB 0.789 28.737 27.740 0.346 0.000 1.517 191 C HN 2.276 nan 8.230 nan 0.000 0.470 192 A N 1.213 124.228 122.820 0.324 0.000 2.519 192 A HA -0.101 4.219 4.320 -0.001 0.000 0.297 192 A C 0.312 178.032 177.584 0.225 0.000 1.472 192 A CA 1.277 53.424 52.037 0.184 0.000 0.739 192 A CB -2.328 16.663 19.000 -0.015 0.000 1.096 192 A HN 2.270 nan 8.150 nan 0.000 0.414 193 H N 0.770 119.945 119.070 0.176 0.000 3.140 193 H HA 0.104 4.660 4.556 -0.001 0.000 0.316 193 H C 0.249 175.559 175.328 -0.030 0.000 0.986 193 H CA 1.658 57.704 56.048 -0.004 0.000 1.397 193 H CB 0.410 30.122 29.762 -0.083 0.000 1.377 193 H HN 0.697 nan 8.280 nan 0.000 0.585 194 N N 7.079 125.497 118.700 -0.470 0.000 2.446 194 N HA 0.169 4.908 4.740 -0.001 0.000 0.265 194 N C -2.363 172.853 175.510 -0.490 0.000 0.975 194 N CA -2.252 50.671 53.050 -0.212 0.000 0.928 194 N CB 1.726 40.282 38.487 0.114 0.000 1.160 194 N HN 0.397 nan 8.380 nan 0.000 0.495 195 P HA 0.137 nan 4.420 nan 0.000 0.282 195 P C 0.668 177.841 177.300 -0.212 0.000 1.327 195 P CA 0.186 63.115 63.100 -0.283 0.000 0.949 195 P CB 0.425 31.998 31.700 -0.210 0.000 1.445 196 T N -4.390 109.992 114.554 -0.287 0.000 3.014 196 T HA 0.198 4.548 4.350 -0.001 0.000 0.263 196 T C 1.724 176.436 174.700 0.020 0.000 1.078 196 T CA 1.323 63.179 62.100 -0.407 0.000 1.135 196 T CB -1.104 67.380 68.868 -0.639 0.000 0.895 196 T HN 0.150 nan 8.240 nan 0.000 0.480 197 G N 0.880 109.777 108.800 0.162 0.000 2.184 197 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.264 197 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.264 197 G C 0.241 175.269 174.900 0.214 0.000 0.975 197 G CA 0.441 45.654 45.100 0.188 0.000 0.642 197 G HN 0.753 nan 8.290 nan 0.000 0.536 198 T N 1.920 116.615 114.554 0.236 0.000 2.743 198 T HA 0.533 4.883 4.350 -0.001 0.000 0.293 198 T C -0.500 174.338 174.700 0.230 0.000 0.945 198 T CA -0.119 62.115 62.100 0.223 0.000 1.030 198 T CB 1.477 70.496 68.868 0.252 0.000 0.912 198 T HN 0.230 nan 8.240 nan 0.000 0.483 199 D N 3.422 123.939 120.400 0.195 0.000 2.350 199 D HA 0.485 5.125 4.640 -0.001 0.000 0.238 199 D C -2.315 174.020 176.300 0.059 0.000 0.989 199 D CA -1.861 52.279 54.000 0.234 0.000 0.921 199 D CB 1.380 42.368 40.800 0.313 0.000 1.297 199 D HN 0.182 nan 8.370 nan 0.000 0.490 200 P HA 0.171 nan 4.420 nan 0.000 0.274 200 P C -0.124 177.108 177.300 -0.112 0.000 1.231 200 P CA -0.346 62.575 63.100 -0.299 0.000 0.790 200 P CB 0.414 31.570 31.700 -0.907 0.000 0.951 201 T N -0.747 113.760 114.554 -0.077 0.000 2.816 201 T HA 0.246 4.595 4.350 -0.001 0.000 0.282 201 T C -1.892 172.827 174.700 0.032 0.000 0.993 201 T CA -1.671 60.421 62.100 -0.013 0.000 0.994 201 T CB 0.060 68.890 68.868 -0.063 0.000 1.025 201 T HN 0.129 nan 8.240 nan 0.000 0.529 202 P HA -0.105 nan 4.420 nan 0.000 0.216 202 P C 1.564 178.784 177.300 -0.133 0.000 1.153 202 P CA 0.938 63.796 63.100 -0.403 0.000 0.858 202 P CB 0.060 31.083 31.700 -1.129 0.000 0.789 203 E N -0.198 119.930 120.200 -0.121 0.000 2.077 203 E HA -0.200 4.150 4.350 -0.001 0.000 0.193 203 E C 2.079 178.668 176.600 -0.019 0.000 0.989 203 E CA 1.280 57.644 56.400 -0.060 0.000 0.800 203 E CB -0.746 28.916 29.700 -0.064 0.000 0.746 203 E HN 0.461 nan 8.360 nan 0.000 0.452 204 Q N -0.855 118.923 119.800 -0.038 0.000 2.079 204 Q HA -0.120 4.219 4.340 -0.001 0.000 0.200 204 Q C 2.105 178.097 176.000 -0.012 0.000 0.974 204 Q CA 1.096 56.852 55.803 -0.079 0.000 0.840 204 Q CB -0.297 28.343 28.738 -0.162 0.000 0.898 204 Q HN 0.362 nan 8.270 nan 0.000 0.430 205 W N 1.450 122.792 121.300 0.070 0.000 2.342 205 W HA -0.180 4.480 4.660 -0.001 0.000 0.297 205 W C 2.051 178.639 176.519 0.115 0.000 1.213 205 W CA 0.789 58.254 57.345 0.200 0.000 1.251 205 W CB 0.146 29.865 29.460 0.431 0.000 1.136 205 W HN 0.074 nan 8.180 nan 0.000 0.526 206 K N -0.013 120.527 120.400 0.233 0.000 2.148 206 K HA -0.188 4.132 4.320 -0.001 0.000 0.204 206 K C 1.860 178.525 176.600 0.110 0.000 1.050 206 K CA 1.374 57.735 56.287 0.123 0.000 0.942 206 K CB -0.357 32.163 32.500 0.034 0.000 0.724 206 K HN 0.316 nan 8.250 nan 0.000 0.446 207 Q N 0.582 120.405 119.800 0.038 0.000 2.123 207 Q HA -0.067 4.273 4.340 -0.001 0.000 0.199 207 Q C 2.137 178.088 176.000 -0.082 0.000 0.966 207 Q CA 1.052 56.835 55.803 -0.034 0.000 0.845 207 Q CB -0.103 28.586 28.738 -0.081 0.000 0.907 207 Q HN 0.296 nan 8.270 nan 0.000 0.439 208 I N 0.899 121.412 120.570 -0.096 0.000 2.142 208 I HA -0.304 3.865 4.170 -0.001 0.000 0.240 208 I C 2.467 178.556 176.117 -0.047 0.000 1.078 208 I CA 1.108 62.293 61.300 -0.192 0.000 1.343 208 I CB -0.439 37.443 38.000 -0.196 0.000 1.046 208 I HN 0.170 nan 8.210 nan 0.000 0.405 209 A N 0.500 123.360 122.820 0.066 0.000 1.908 209 A HA -0.281 4.038 4.320 -0.001 0.000 0.218 209 A C 2.508 180.123 177.584 0.052 0.000 1.181 209 A CA 2.454 54.415 52.037 -0.126 0.000 0.627 209 A CB -0.984 17.842 19.000 -0.291 0.000 0.818 209 A HN 0.542 nan 8.150 nan 0.000 0.445 210 S N -0.325 115.394 115.700 0.032 0.000 2.368 210 S HA -0.133 4.337 4.470 -0.001 0.000 0.225 210 S C 1.791 176.365 174.600 -0.043 0.000 1.030 210 S CA 1.686 59.888 58.200 0.003 0.000 0.999 210 S CB -0.888 62.312 63.200 -0.001 0.000 0.844 210 S HN 0.332 nan 8.310 nan 0.000 0.459 211 V N 2.109 121.972 119.914 -0.086 0.000 2.427 211 V HA -0.110 4.010 4.120 -0.001 0.000 0.248 211 V C 2.692 178.708 176.094 -0.130 0.000 1.051 211 V CA 2.076 64.293 62.300 -0.138 0.000 1.048 211 V CB -0.881 30.823 31.823 -0.197 0.000 0.666 211 V HN 0.491 nan 8.190 nan 0.000 0.456 212 M N -0.146 119.415 119.600 -0.065 0.000 2.117 212 M HA -0.222 4.258 4.480 -0.001 0.000 0.262 212 M C 2.354 178.756 176.300 0.169 0.000 1.065 212 M CA 2.005 57.333 55.300 0.046 0.000 1.114 212 M CB -0.484 32.200 32.600 0.139 0.000 1.361 212 M HN 0.211 nan 8.290 nan 0.000 0.408 213 K N 0.382 120.888 120.400 0.177 0.000 2.026 213 K HA -0.135 4.185 4.320 -0.001 0.000 0.208 213 K C 2.070 178.575 176.600 -0.159 0.000 1.048 213 K CA 1.454 57.660 56.287 -0.135 0.000 0.929 213 K CB -0.004 32.342 32.500 -0.257 0.000 0.713 213 K HN 0.162 nan 8.250 nan 0.000 0.439 214 R N -0.069 120.310 120.500 -0.201 0.000 2.081 214 R HA -0.036 4.304 4.340 -0.001 0.000 0.235 214 R C 1.860 177.768 176.300 -0.652 0.000 1.131 214 R CA 1.490 57.391 56.100 -0.333 0.000 0.960 214 R CB -0.022 30.137 30.300 -0.235 0.000 0.856 214 R HN 0.181 nan 8.270 nan 0.000 0.436 215 R N -0.195 120.002 120.500 -0.505 0.000 2.359 215 R HA 0.069 4.409 4.340 -0.001 0.000 0.231 215 R C -0.471 175.507 176.300 -0.536 0.000 0.913 215 R CA -0.135 55.627 56.100 -0.563 0.000 1.075 215 R CB 0.309 30.438 30.300 -0.285 0.000 1.087 215 R HN 0.063 nan 8.270 nan 0.000 0.515 216 F N 0.253 120.082 119.950 -0.202 0.000 3.039 216 F HA -0.228 4.298 4.527 -0.001 0.000 0.287 216 F C -0.227 175.528 175.800 -0.074 0.000 0.956 216 F CA -0.185 57.666 58.000 -0.249 0.000 0.971 216 F CB -2.411 36.142 39.000 -0.745 0.000 0.943 216 F HN 0.006 nan 8.300 nan 0.000 0.766 217 L N 0.215 121.554 121.223 0.193 0.000 2.326 217 L HA 0.391 4.731 4.340 -0.001 0.000 0.278 217 L C 0.375 177.493 176.870 0.415 0.000 1.092 217 L CA -0.556 54.450 54.840 0.276 0.000 0.810 217 L CB 0.845 42.927 42.059 0.038 0.000 1.153 217 L HN 0.145 nan 8.230 nan 0.000 0.439 218 F N 5.741 125.888 119.950 0.329 0.000 2.411 218 F HA 0.425 4.952 4.527 -0.001 0.000 0.355 218 F C -2.106 173.782 175.800 0.147 0.000 1.117 218 F CA -2.416 55.726 58.000 0.236 0.000 1.139 218 F CB 1.039 40.089 39.000 0.084 0.000 1.120 218 F HN 0.206 nan 8.300 nan 0.000 0.493 219 P HA 0.122 nan 4.420 nan 0.000 0.292 219 P C -1.076 175.907 177.300 -0.528 0.000 1.326 219 P CA -0.080 62.713 63.100 -0.511 0.000 0.787 219 P CB 0.442 31.766 31.700 -0.627 0.000 0.903 220 F N 5.275 125.038 119.950 -0.312 0.000 2.307 220 F HA 0.439 4.966 4.527 -0.001 0.000 0.369 220 F C -0.889 174.840 175.800 -0.119 0.000 1.076 220 F CA -2.136 55.855 58.000 -0.015 0.000 1.149 220 F CB -0.261 38.875 39.000 0.226 0.000 1.410 220 F HN 0.104 nan 8.300 nan 0.000 0.481 221 F N 3.312 123.446 119.950 0.306 0.000 2.443 221 F HA 0.197 4.723 4.527 -0.001 0.000 0.353 221 F C 0.691 176.603 175.800 0.187 0.000 1.101 221 F CA 0.061 58.138 58.000 0.127 0.000 1.226 221 F CB 0.526 39.504 39.000 -0.037 0.000 1.140 221 F HN 0.298 nan 8.300 nan 0.000 0.557 222 D N 1.989 122.538 120.400 0.248 0.000 2.414 222 D HA 0.133 4.773 4.640 -0.001 0.000 0.232 222 D C -1.027 175.337 176.300 0.108 0.000 1.070 222 D CA -0.139 53.922 54.000 0.101 0.000 0.839 222 D CB 1.415 42.185 40.800 -0.049 0.000 1.079 222 D HN 0.342 nan 8.370 nan 0.000 0.521 223 S N 2.833 118.562 115.700 0.050 0.000 2.516 223 S HA 0.577 5.046 4.470 -0.001 0.000 0.268 223 S C 0.366 174.871 174.600 -0.158 0.000 1.251 223 S CA -0.358 57.842 58.200 0.000 0.000 1.153 223 S CB 0.404 63.599 63.200 -0.009 0.000 1.009 223 S HN 0.484 nan 8.310 nan 0.000 0.479 224 A N 3.697 126.365 122.820 -0.253 0.000 2.303 224 A HA 0.392 4.711 4.320 -0.001 0.000 0.217 224 A C 0.104 177.191 177.584 -0.828 0.000 1.205 224 A CA 0.159 51.826 52.037 -0.615 0.000 0.875 224 A CB 0.009 18.489 19.000 -0.868 0.000 0.910 224 A HN 0.777 nan 8.150 nan 0.000 0.501 225 Y N -0.127 120.155 120.300 -0.030 0.000 2.721 225 Y HA 0.293 4.842 4.550 -0.001 0.000 0.251 225 Y C 0.561 176.538 175.900 0.129 0.000 1.136 225 Y CA -0.904 57.225 58.100 0.048 0.000 1.142 225 Y CB -0.057 38.498 38.460 0.157 0.000 1.212 225 Y HN 0.344 nan 8.280 nan 0.000 0.565 226 Q N 0.740 120.628 119.800 0.147 0.000 2.263 226 Q HA 0.301 4.640 4.340 -0.001 0.000 0.289 226 Q C 1.290 177.406 176.000 0.195 0.000 1.061 226 Q CA 1.632 57.531 55.803 0.161 0.000 0.927 226 Q CB 0.448 29.247 28.738 0.102 0.000 1.154 226 Q HN 0.797 nan 8.270 nan 0.000 0.378 227 G N 4.125 113.014 108.800 0.148 0.000 2.900 227 G HA2 -0.410 3.550 3.960 -0.001 0.000 0.223 227 G HA3 -0.410 3.550 3.960 -0.001 0.000 0.223 227 G C 0.404 175.332 174.900 0.048 0.000 1.293 227 G CA 0.385 45.506 45.100 0.034 0.000 0.792 227 G HN 0.732 nan 8.290 nan 0.000 0.527 228 F N 2.828 122.779 119.950 0.003 0.000 2.161 228 F HA 0.194 4.721 4.527 -0.001 0.000 0.300 228 F C 2.795 178.618 175.800 0.038 0.000 1.089 228 F CA 2.561 60.576 58.000 0.026 0.000 1.282 228 F CB -0.405 38.684 39.000 0.149 0.000 1.010 228 F HN 0.506 nan 8.300 nan 0.000 0.485 229 A N -0.307 122.675 122.820 0.270 0.000 1.835 229 A HA -0.223 4.097 4.320 -0.001 0.000 0.215 229 A C 2.282 179.873 177.584 0.013 0.000 1.199 229 A CA 2.628 54.756 52.037 0.152 0.000 0.615 229 A CB -1.345 17.782 19.000 0.213 0.000 0.838 229 A HN 0.487 nan 8.150 nan 0.000 0.444 230 S N -3.406 112.304 115.700 0.018 0.000 2.526 230 S HA 0.433 4.903 4.470 -0.001 0.000 0.220 230 S C 1.372 175.936 174.600 -0.059 0.000 1.017 230 S CA 1.097 59.288 58.200 -0.014 0.000 0.930 230 S CB 0.473 63.688 63.200 0.026 0.000 0.856 230 S HN 2.089 nan 8.310 nan 0.000 0.497 231 G N 1.575 110.321 108.800 -0.089 0.000 2.199 231 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.254 231 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.254 231 G C -0.126 174.703 174.900 -0.118 0.000 0.982 231 G CA 0.128 45.143 45.100 -0.142 0.000 0.632 231 G HN 0.670 nan 8.290 nan 0.000 0.529 232 N N 0.475 119.143 118.700 -0.053 0.000 2.479 232 N HA 0.509 5.249 4.740 -0.001 0.000 0.261 232 N C 1.510 177.037 175.510 0.028 0.000 0.979 232 N CA -0.533 52.508 53.050 -0.015 0.000 0.930 232 N CB 1.251 39.745 38.487 0.012 0.000 1.172 232 N HN 0.103 nan 8.380 nan 0.000 0.499 233 L N 2.091 123.333 121.223 0.032 0.000 2.083 233 L HA -0.127 4.212 4.340 -0.001 0.000 0.209 233 L C 1.892 178.835 176.870 0.122 0.000 1.083 233 L CA 1.059 55.957 54.840 0.096 0.000 0.752 233 L CB 0.027 42.180 42.059 0.156 0.000 0.899 233 L HN 0.515 nan 8.230 nan 0.000 0.433 234 E N 0.129 120.399 120.200 0.118 0.000 2.046 234 E HA -0.226 4.124 4.350 -0.001 0.000 0.190 234 E C 2.023 178.715 176.600 0.154 0.000 0.982 234 E CA 0.933 57.409 56.400 0.128 0.000 0.800 234 E CB -0.215 29.560 29.700 0.124 0.000 0.756 234 E HN 0.406 nan 8.360 nan 0.000 0.449 235 K N 1.036 121.521 120.400 0.141 0.000 2.063 235 K HA -0.176 4.144 4.320 -0.001 0.000 0.208 235 K C 1.358 178.069 176.600 0.185 0.000 1.048 235 K CA 1.707 58.090 56.287 0.160 0.000 0.928 235 K CB 0.051 32.608 32.500 0.096 0.000 0.713 235 K HN -0.107 nan 8.250 nan 0.000 0.442 236 D N -0.166 120.323 120.400 0.148 0.000 2.310 236 D HA -0.075 4.564 4.640 -0.001 0.000 0.212 236 D C 1.053 177.432 176.300 0.132 0.000 0.965 236 D CA 1.036 55.130 54.000 0.156 0.000 0.879 236 D CB 0.203 41.092 40.800 0.149 0.000 0.921 236 D HN 0.372 nan 8.370 nan 0.000 0.510 237 A N -0.905 121.978 122.820 0.106 0.000 2.387 237 A HA 0.120 4.439 4.320 -0.001 0.000 0.234 237 A C 1.612 179.175 177.584 -0.034 0.000 1.253 237 A CA -0.479 51.561 52.037 0.005 0.000 0.894 237 A CB -0.720 18.277 19.000 -0.004 0.000 0.963 237 A HN 0.237 nan 8.150 nan 0.000 0.508 238 W N 1.097 122.355 121.300 -0.071 0.000 2.302 238 W HA -0.346 4.313 4.660 -0.001 0.000 0.320 238 W C 2.199 178.636 176.519 -0.137 0.000 1.241 238 W CA 3.080 60.389 57.345 -0.061 0.000 1.264 238 W CB -0.121 29.332 29.460 -0.012 0.000 1.154 238 W HN 0.372 nan 8.180 nan 0.000 0.483 239 A N 0.038 122.775 122.820 -0.139 0.000 1.902 239 A HA -0.192 4.127 4.320 -0.001 0.000 0.217 239 A C 1.971 179.157 177.584 -0.664 0.000 1.181 239 A CA 2.051 53.755 52.037 -0.555 0.000 0.623 239 A CB -1.054 17.194 19.000 -1.253 0.000 0.818 239 A HN 0.414 nan 8.150 nan 0.000 0.443 240 I N -0.830 119.224 120.570 -0.859 0.000 2.163 240 I HA -0.296 3.874 4.170 -0.001 0.000 0.243 240 I C 2.773 178.610 176.117 -0.467 0.000 1.085 240 I CA 1.606 62.322 61.300 -0.973 0.000 1.347 240 I CB -0.357 37.174 38.000 -0.781 0.000 1.044 240 I HN 0.275 nan 8.210 nan 0.000 0.408 241 R N -0.463 119.803 120.500 -0.390 0.000 2.096 241 R HA -0.219 4.120 4.340 -0.001 0.000 0.235 241 R C 2.384 178.498 176.300 -0.310 0.000 1.127 241 R CA 1.659 57.582 56.100 -0.294 0.000 0.968 241 R CB -0.584 29.560 30.300 -0.260 0.000 0.861 241 R HN 0.353 nan 8.270 nan 0.000 0.440 242 Y N 0.633 120.565 120.300 -0.612 0.000 2.145 242 Y HA -0.237 4.313 4.550 -0.001 0.000 0.286 242 Y C 1.811 177.587 175.900 -0.207 0.000 1.145 242 Y CA 1.418 59.160 58.100 -0.597 0.000 1.148 242 Y CB -0.398 37.393 38.460 -1.116 0.000 0.981 242 Y HN -0.126 nan 8.280 nan 0.000 0.507 243 F N -0.682 119.047 119.950 -0.368 0.000 2.126 243 F HA -0.239 4.288 4.527 -0.000 0.000 0.299 243 F C 2.468 178.226 175.800 -0.070 0.000 1.096 243 F CA 1.700 59.559 58.000 -0.235 0.000 1.255 243 F CB -1.112 37.720 39.000 -0.279 0.000 0.997 243 F HN -0.099 nan 8.300 nan 0.000 0.479 244 V N -1.227 118.710 119.914 0.039 0.000 2.287 244 V HA -0.318 3.801 4.120 -0.001 0.000 0.248 244 V C 2.458 178.523 176.094 -0.049 0.000 1.053 244 V CA 2.159 64.466 62.300 0.012 0.000 1.027 244 V CB -1.028 30.770 31.823 -0.041 0.000 0.646 244 V HN 0.285 nan 8.190 nan 0.000 0.447 245 S N -0.771 114.841 115.700 -0.146 0.000 2.383 245 S HA -0.189 4.280 4.470 -0.001 0.000 0.229 245 S C 1.827 176.305 174.600 -0.202 0.000 1.030 245 S CA 1.225 59.319 58.200 -0.176 0.000 1.002 245 S CB -0.302 62.764 63.200 -0.223 0.000 0.829 245 S HN 0.574 nan 8.310 nan 0.000 0.467 246 E N -0.075 119.957 120.200 -0.280 0.000 2.511 246 E HA 0.122 4.472 4.350 -0.001 0.000 0.196 246 E C 1.336 177.829 176.600 -0.178 0.000 1.066 246 E CA 0.509 56.750 56.400 -0.265 0.000 0.871 246 E CB -0.217 29.273 29.700 -0.350 0.000 0.863 246 E HN 0.570 nan 8.360 nan 0.000 0.520 247 G N 0.951 109.698 108.800 -0.087 0.000 2.141 247 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.242 247 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.242 247 G C 0.063 174.926 174.900 -0.062 0.000 0.982 247 G CA -0.130 44.919 45.100 -0.085 0.000 0.662 247 G HN 0.187 nan 8.290 nan 0.000 0.527 248 F N 1.315 121.250 119.950 -0.025 0.000 2.450 248 F HA 0.474 5.001 4.527 -0.001 0.000 0.339 248 F C 1.212 177.046 175.800 0.057 0.000 1.146 248 F CA 0.001 58.029 58.000 0.046 0.000 1.267 248 F CB 0.613 39.696 39.000 0.138 0.000 1.178 248 F HN 0.112 nan 8.300 nan 0.000 0.585 249 E N 2.606 122.975 120.200 0.282 0.000 2.231 249 E HA 0.613 4.963 4.350 -0.001 0.000 0.277 249 E C -1.192 175.473 176.600 0.109 0.000 0.999 249 E CA -0.732 55.805 56.400 0.227 0.000 0.827 249 E CB 1.728 31.602 29.700 0.290 0.000 1.101 249 E HN 0.407 nan 8.360 nan 0.000 0.393 250 L N -1.482 119.771 121.223 0.050 0.000 2.838 250 L HA 0.600 4.940 4.340 -0.001 0.000 0.266 250 L C -1.461 175.502 176.870 0.154 0.000 1.040 250 L CA -0.992 53.698 54.840 -0.251 0.000 0.906 250 L CB 0.805 42.819 42.059 -0.075 0.000 1.501 250 L HN 0.242 nan 8.230 nan 0.000 0.407 251 F N 0.381 120.214 119.950 -0.194 0.000 2.522 251 F HA 0.768 5.295 4.527 -0.001 0.000 0.324 251 F C -0.116 175.682 175.800 -0.004 0.000 1.077 251 F CA -1.753 56.139 58.000 -0.182 0.000 0.944 251 F CB 1.998 40.605 39.000 -0.656 0.000 1.175 251 F HN 0.835 nan 8.300 nan 0.000 0.468 252 C N 3.231 122.665 119.300 0.223 0.000 2.478 252 C HA 0.815 5.275 4.460 -0.001 0.000 0.334 252 C C -0.379 174.745 174.990 0.225 0.000 1.106 252 C CA -0.523 58.648 59.018 0.255 0.000 1.363 252 C CB -0.654 27.149 27.740 0.105 0.000 1.941 252 C HN 0.920 nan 8.230 nan 0.000 0.436 253 A N 6.136 129.169 122.820 0.356 0.000 2.350 253 A HA 0.558 4.878 4.320 -0.001 0.000 0.293 253 A C -0.075 177.564 177.584 0.092 0.000 1.231 253 A CA 0.018 52.210 52.037 0.259 0.000 0.883 253 A CB 0.224 19.419 19.000 0.326 0.000 1.133 253 A HN 0.913 nan 8.150 nan 0.000 0.533 254 Q N 1.350 121.171 119.800 0.035 0.000 2.256 254 Q HA 0.544 4.883 4.340 -0.001 0.000 0.257 254 Q C -0.297 175.608 176.000 -0.159 0.000 0.936 254 Q CA -0.382 55.353 55.803 -0.114 0.000 0.903 254 Q CB 1.902 30.559 28.738 -0.135 0.000 1.263 254 Q HN 0.648 nan 8.270 nan 0.000 0.440 255 S N 1.415 116.907 115.700 -0.347 0.000 2.503 255 S HA 0.531 5.001 4.470 -0.001 0.000 0.301 255 S C -0.781 173.498 174.600 -0.536 0.000 1.087 255 S CA -0.574 57.446 58.200 -0.299 0.000 1.042 255 S CB 0.483 63.495 63.200 -0.313 0.000 1.043 255 S HN 0.577 nan 8.310 nan 0.000 0.489 256 F N 2.405 122.321 119.950 -0.057 0.000 2.654 256 F HA 0.273 4.800 4.527 -0.001 0.000 0.303 256 F C 1.582 177.323 175.800 -0.098 0.000 1.099 256 F CA -0.336 57.659 58.000 -0.009 0.000 1.270 256 F CB 0.165 39.126 39.000 -0.065 0.000 1.024 256 F HN 0.606 nan 8.300 nan 0.000 0.548 260 F N 1.300 121.390 119.950 0.234 0.000 2.706 260 F HA 0.549 5.076 4.527 -0.001 0.000 0.308 260 F C 1.641 177.453 175.800 0.021 0.000 1.095 260 F CA 0.599 58.715 58.000 0.192 0.000 1.244 260 F CB 0.826 39.859 39.000 0.056 0.000 1.063 260 F HN 0.271 nan 8.300 nan 0.000 0.582 261 G N 1.381 110.198 108.800 0.028 0.000 2.225 261 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.267 261 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.267 261 G C 0.496 175.334 174.900 -0.103 0.000 1.024 261 G CA 0.237 45.269 45.100 -0.114 0.000 0.784 261 G HN 0.374 nan 8.290 nan 0.000 0.507 262 L N 0.111 121.253 121.223 -0.136 0.000 3.001 262 L HA 0.291 4.631 4.340 -0.001 0.000 0.234 262 L C 2.060 178.898 176.870 -0.052 0.000 1.321 262 L CA -0.816 54.002 54.840 -0.038 0.000 1.138 262 L CB -0.445 41.600 42.059 -0.023 0.000 1.503 262 L HN 0.322 nan 8.230 nan 0.000 0.487 263 Y N 0.580 120.916 120.300 0.061 0.000 2.030 263 Y HA -0.407 4.143 4.550 -0.000 0.000 0.272 263 Y C 2.347 178.262 175.900 0.024 0.000 1.185 263 Y CA 2.360 60.485 58.100 0.043 0.000 1.120 263 Y CB -0.665 37.831 38.460 0.061 0.000 0.955 263 Y HN 0.577 nan 8.280 nan 0.000 0.495 264 N N -0.567 118.256 118.700 0.206 0.000 2.461 264 N HA -0.085 4.655 4.740 -0.001 0.000 0.188 264 N C 0.767 176.296 175.510 0.032 0.000 1.134 264 N CA 0.444 53.556 53.050 0.105 0.000 0.878 264 N CB 0.034 38.580 38.487 0.098 0.000 0.972 264 N HN 0.315 nan 8.380 nan 0.000 0.456 265 E N 0.826 121.026 120.200 0.001 0.000 2.481 265 E HA 0.054 4.404 4.350 -0.001 0.000 0.198 265 E C -0.166 176.369 176.600 -0.108 0.000 1.027 265 E CA -0.131 56.231 56.400 -0.063 0.000 0.900 265 E CB 0.286 29.934 29.700 -0.085 0.000 0.993 265 E HN 0.249 nan 8.360 nan 0.000 0.482 266 R N 0.059 120.512 120.500 -0.079 0.000 3.127 266 R HA -0.129 4.211 4.340 -0.001 0.000 0.247 266 R C -0.584 175.619 176.300 -0.162 0.000 0.896 266 R CA 0.242 56.279 56.100 -0.104 0.000 0.624 266 R CB -3.120 27.100 30.300 -0.133 0.000 1.154 266 R HN -0.084 nan 8.270 nan 0.000 0.474 267 V N 0.193 120.033 119.914 -0.123 0.000 2.347 267 V HA 0.825 4.945 4.120 -0.001 0.000 0.280 267 V C 1.197 177.357 176.094 0.110 0.000 1.021 267 V CA 0.048 62.256 62.300 -0.153 0.000 0.847 267 V CB 1.990 33.660 31.823 -0.256 0.000 0.990 267 V HN 0.625 nan 8.190 nan 0.000 0.444 268 G N 3.320 112.200 108.800 0.132 0.000 2.708 268 G HA2 0.580 4.540 3.960 -0.001 0.000 0.289 268 G HA3 0.580 4.540 3.960 -0.001 0.000 0.289 268 G C -1.675 173.485 174.900 0.434 0.000 1.416 268 G CA -0.666 44.611 45.100 0.296 0.000 0.829 268 G HN 0.590 nan 8.290 nan 0.000 0.480 269 N N -0.468 118.454 118.700 0.370 0.000 2.324 269 N HA 0.332 5.071 4.740 -0.001 0.000 0.285 269 N C -1.941 173.663 175.510 0.157 0.000 1.076 269 N CA -0.588 52.640 53.050 0.296 0.000 0.864 269 N CB 2.684 41.311 38.487 0.234 0.000 1.632 269 N HN 0.393 nan 8.380 nan 0.000 0.478 270 L N 2.926 124.209 121.223 0.100 0.000 2.262 270 L HA 0.461 4.800 4.340 -0.001 0.000 0.288 270 L C -0.416 176.414 176.870 -0.066 0.000 1.035 270 L CA 0.133 54.978 54.840 0.008 0.000 0.820 270 L CB 0.986 43.008 42.059 -0.062 0.000 1.204 270 L HN 0.432 nan 8.230 nan 0.000 0.424 271 T N 4.568 119.094 114.554 -0.048 0.000 2.806 271 T HA 0.570 4.919 4.350 -0.001 0.000 0.290 271 T C -0.496 174.161 174.700 -0.070 0.000 0.966 271 T CA -0.290 61.778 62.100 -0.053 0.000 1.060 271 T CB 1.159 70.016 68.868 -0.019 0.000 0.927 271 T HN 0.352 nan 8.240 nan 0.000 0.485 272 V N 4.180 124.055 119.914 -0.064 0.000 2.495 272 V HA 0.517 4.636 4.120 -0.001 0.000 0.298 272 V C -0.335 175.806 176.094 0.078 0.000 1.031 272 V CA -0.768 61.548 62.300 0.028 0.000 0.871 272 V CB 1.936 33.715 31.823 -0.073 0.000 0.988 272 V HN 0.660 nan 8.190 nan 0.000 0.432 273 V N 3.982 123.986 119.914 0.150 0.000 2.444 273 V HA 0.862 4.982 4.120 -0.001 0.000 0.294 273 V C 0.275 176.456 176.094 0.145 0.000 1.022 273 V CA -0.292 62.073 62.300 0.109 0.000 0.850 273 V CB 1.460 33.333 31.823 0.085 0.000 0.992 273 V HN 1.036 nan 8.190 nan 0.000 0.426 274 A N 3.892 126.776 122.820 0.108 0.000 2.346 274 A HA 0.703 5.023 4.320 -0.001 0.000 0.313 274 A C 0.820 178.452 177.584 0.081 0.000 1.140 274 A CA -0.635 51.472 52.037 0.115 0.000 0.826 274 A CB 1.497 20.555 19.000 0.098 0.000 1.332 274 A HN 0.766 nan 8.150 nan 0.000 0.457 275 K N -0.221 120.226 120.400 0.079 0.000 2.097 275 K HA -0.041 4.279 4.320 -0.001 0.000 0.205 275 K C -0.122 176.497 176.600 0.031 0.000 1.050 275 K CA 1.418 57.734 56.287 0.048 0.000 0.938 275 K CB 0.069 32.597 32.500 0.046 0.000 0.718 275 K HN 0.755 nan 8.250 nan 0.000 0.442 276 E N -0.800 119.420 120.200 0.033 0.000 2.288 276 E HA 0.153 4.503 4.350 -0.001 0.000 0.268 276 E C -2.367 174.244 176.600 0.018 0.000 0.885 276 E CA -2.394 54.018 56.400 0.020 0.000 0.767 276 E CB 1.399 31.108 29.700 0.015 0.000 1.220 276 E HN -0.137 nan 8.360 nan 0.000 0.427 277 P HA -0.190 nan 4.420 nan 0.000 0.217 277 P C 1.051 178.353 177.300 0.002 0.000 1.150 277 P CA 1.405 64.508 63.100 0.005 0.000 0.832 277 P CB 0.149 31.848 31.700 -0.001 0.000 0.787 278 D N -0.788 119.613 120.400 0.002 0.000 2.178 278 D HA -0.115 4.524 4.640 -0.001 0.000 0.201 278 D C 1.512 177.811 176.300 -0.002 0.000 0.980 278 D CA 1.083 55.081 54.000 -0.003 0.000 0.842 278 D CB -0.723 40.074 40.800 -0.005 0.000 0.948 278 D HN 0.067 nan 8.370 nan 0.000 0.472 279 S N 0.300 116.006 115.700 0.009 0.000 2.383 279 S HA -0.086 4.384 4.470 -0.001 0.000 0.229 279 S C 2.058 176.665 174.600 0.011 0.000 1.030 279 S CA 0.413 58.624 58.200 0.019 0.000 1.002 279 S CB -0.120 63.108 63.200 0.045 0.000 0.829 279 S HN 0.297 nan 8.310 nan 0.000 0.467 280 I N 2.033 122.606 120.570 0.006 0.000 2.208 280 I HA -0.179 3.991 4.170 -0.001 0.000 0.245 280 I C 2.109 178.212 176.117 -0.022 0.000 1.097 280 I CA 1.368 62.663 61.300 -0.009 0.000 1.363 280 I CB -1.609 36.386 38.000 -0.008 0.000 1.051 280 I HN 0.331 nan 8.210 nan 0.000 0.413 281 L N -0.290 120.921 121.223 -0.020 0.000 2.131 281 L HA -0.140 4.200 4.340 -0.001 0.000 0.210 281 L C 2.671 179.522 176.870 -0.032 0.000 1.092 281 L CA 1.233 56.059 54.840 -0.025 0.000 0.759 281 L CB -0.906 41.141 42.059 -0.021 0.000 0.903 281 L HN 0.117 nan 8.230 nan 0.000 0.435 282 R N 0.241 120.721 120.500 -0.033 0.000 2.073 282 R HA -0.054 4.286 4.340 -0.001 0.000 0.229 282 R C 2.403 178.678 176.300 -0.042 0.000 1.120 282 R CA 1.117 57.185 56.100 -0.053 0.000 0.967 282 R CB -0.552 29.711 30.300 -0.062 0.000 0.862 282 R HN 0.152 nan 8.270 nan 0.000 0.436 283 V N 1.767 121.670 119.914 -0.018 0.000 2.295 283 V HA -0.237 3.882 4.120 -0.001 0.000 0.246 283 V C 2.342 178.397 176.094 -0.065 0.000 1.049 283 V CA 1.702 63.980 62.300 -0.036 0.000 1.024 283 V CB -0.424 31.322 31.823 -0.128 0.000 0.648 283 V HN 0.295 nan 8.190 nan 0.000 0.447 284 L N 0.757 121.940 121.223 -0.067 0.000 2.083 284 L HA -0.163 4.176 4.340 -0.001 0.000 0.209 284 L C 2.762 179.621 176.870 -0.018 0.000 1.083 284 L CA 1.815 56.624 54.840 -0.053 0.000 0.752 284 L CB -0.793 41.239 42.059 -0.045 0.000 0.899 284 L HN 0.594 nan 8.230 nan 0.000 0.433 285 S N -0.813 114.876 115.700 -0.019 0.000 2.382 285 S HA -0.220 4.250 4.470 -0.001 0.000 0.228 285 S C 1.920 176.528 174.600 0.013 0.000 1.027 285 S CA 0.876 59.068 58.200 -0.014 0.000 0.991 285 S CB -0.218 62.961 63.200 -0.035 0.000 0.823 285 S HN 0.412 nan 8.310 nan 0.000 0.469 286 Q N 0.574 120.399 119.800 0.040 0.000 2.137 286 Q HA 0.199 4.538 4.340 -0.001 0.000 0.198 286 Q C 2.248 178.375 176.000 0.212 0.000 0.960 286 Q CA 1.051 56.937 55.803 0.138 0.000 0.847 286 Q CB -0.480 28.340 28.738 0.137 0.000 0.915 286 Q HN 0.624 nan 8.270 nan 0.000 0.448 287 M N 0.475 120.170 119.600 0.160 0.000 2.213 287 M HA -0.195 4.284 4.480 -0.001 0.000 0.263 287 M C 2.123 178.443 176.300 0.033 0.000 1.062 287 M CA 1.355 56.715 55.300 0.099 0.000 1.105 287 M CB -0.056 32.542 32.600 -0.005 0.000 1.385 287 M HN 0.194 nan 8.290 nan 0.000 0.417 288 Q N -0.066 119.746 119.800 0.019 0.000 2.096 288 Q HA -0.194 4.146 4.340 -0.001 0.000 0.204 288 Q C 1.971 177.958 176.000 -0.021 0.000 0.982 288 Q CA 1.102 56.900 55.803 -0.008 0.000 0.850 288 Q CB -0.029 28.706 28.738 -0.005 0.000 0.901 288 Q HN 0.358 nan 8.270 nan 0.000 0.422 289 K N 0.512 120.921 120.400 0.015 0.000 2.097 289 K HA -0.090 4.230 4.320 -0.001 0.000 0.205 289 K C 1.987 178.579 176.600 -0.013 0.000 1.050 289 K CA 0.978 57.274 56.287 0.015 0.000 0.938 289 K CB -0.287 32.253 32.500 0.066 0.000 0.718 289 K HN 0.284 nan 8.250 nan 0.000 0.442 290 I N 0.537 121.108 120.570 0.001 0.000 2.202 290 I HA -0.227 3.942 4.170 -0.001 0.000 0.242 290 I C 2.298 178.289 176.117 -0.210 0.000 1.091 290 I CA 0.727 61.995 61.300 -0.054 0.000 1.368 290 I CB -0.331 37.681 38.000 0.020 0.000 1.058 290 I HN -0.187 nan 8.210 nan 0.000 0.410 291 V N 0.968 120.721 119.914 -0.267 0.000 2.332 291 V HA -0.309 3.811 4.120 -0.001 0.000 0.248 291 V C 2.664 178.516 176.094 -0.405 0.000 1.055 291 V CA 2.029 64.017 62.300 -0.519 0.000 1.038 291 V CB -0.749 30.866 31.823 -0.345 0.000 0.651 291 V HN 0.396 nan 8.190 nan 0.000 0.450 292 R N 1.293 121.669 120.500 -0.206 0.000 2.103 292 R HA -0.165 4.174 4.340 -0.001 0.000 0.242 292 R C 1.889 178.114 176.300 -0.126 0.000 1.142 292 R CA 2.431 58.450 56.100 -0.136 0.000 0.960 292 R CB -0.960 29.291 30.300 -0.083 0.000 0.858 292 R HN 0.546 nan 8.270 nan 0.000 0.439 293 V N -2.862 116.974 119.914 -0.130 0.000 3.649 293 V HA 0.215 4.334 4.120 -0.001 0.000 0.275 293 V C 0.809 176.837 176.094 -0.110 0.000 1.281 293 V CA 1.131 63.375 62.300 -0.093 0.000 1.143 293 V CB 0.310 32.093 31.823 -0.067 0.000 0.892 293 V HN 0.245 nan 8.190 nan 0.000 0.441 294 T N 0.108 114.539 114.554 -0.205 0.000 3.205 294 T HA 0.156 4.506 4.350 -0.001 0.000 0.238 294 T C 0.992 175.672 174.700 -0.033 0.000 0.974 294 T CA 1.136 63.116 62.100 -0.200 0.000 1.246 294 T CB -0.033 68.556 68.868 -0.464 0.000 1.007 294 T HN 0.856 nan 8.240 nan 0.000 0.414 295 W N 0.299 121.610 121.300 0.018 0.000 2.534 295 W HA 0.731 5.391 4.660 -0.001 0.000 0.339 295 W C 1.029 177.553 176.519 0.009 0.000 0.961 295 W CA -0.120 57.236 57.345 0.017 0.000 1.545 295 W CB -0.133 29.340 29.460 0.021 0.000 1.104 295 W HN 0.319 nan 8.180 nan 0.000 0.538 296 S N 1.124 116.838 115.700 0.023 0.000 1.552 296 S HA -0.338 4.132 4.470 -0.001 0.000 0.237 296 S C 0.148 174.792 174.600 0.074 0.000 0.756 296 S CA 2.279 60.484 58.200 0.010 0.000 1.349 296 S CB -1.850 61.359 63.200 0.014 0.000 1.675 296 S HN 0.893 nan 8.310 nan 0.000 0.517 297 N N 1.003 119.864 118.700 0.268 0.000 2.710 297 N HA 0.708 5.448 4.740 -0.001 0.000 0.257 297 N C -3.296 172.422 175.510 0.348 0.000 1.327 297 N CA -1.149 52.064 53.050 0.272 0.000 0.861 297 N CB 1.673 40.228 38.487 0.113 0.000 1.532 297 N HN 0.317 nan 8.380 nan 0.000 0.499 298 P HA 0.475 nan 4.420 nan 0.000 0.281 298 P C -2.700 174.563 177.300 -0.062 0.000 1.264 298 P CA -1.302 61.772 63.100 -0.043 0.000 0.824 298 P CB 0.488 32.151 31.700 -0.062 0.000 1.092 299 P HA 0.170 nan 4.420 nan 0.000 0.274 299 P C 0.056 177.275 177.300 -0.136 0.000 1.237 299 P CA -0.194 62.838 63.100 -0.115 0.000 0.793 299 P CB 0.614 32.227 31.700 -0.145 0.000 0.977 300 A N 0.986 123.753 122.820 -0.088 0.000 1.973 300 A HA -0.073 4.246 4.320 -0.001 0.000 0.210 300 A C 2.241 179.738 177.584 -0.145 0.000 1.200 300 A CA 0.967 52.939 52.037 -0.109 0.000 0.707 300 A CB -0.960 18.016 19.000 -0.040 0.000 0.862 300 A HN 0.529 nan 8.150 nan 0.000 0.461 301 Q N 0.497 120.234 119.800 -0.105 0.000 2.029 301 Q HA -0.141 4.198 4.340 -0.001 0.000 0.209 301 Q C 1.922 177.818 176.000 -0.174 0.000 0.999 301 Q CA 2.783 58.523 55.803 -0.106 0.000 0.857 301 Q CB -1.042 27.659 28.738 -0.062 0.000 0.926 301 Q HN 0.484 nan 8.270 nan 0.000 0.415 302 G N -0.363 108.306 108.800 -0.218 0.000 2.421 302 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.216 302 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.216 302 G C 1.492 176.130 174.900 -0.437 0.000 1.171 302 G CA 1.133 46.059 45.100 -0.290 0.000 0.775 302 G HN 0.573 nan 8.290 nan 0.000 0.543 303 A N 0.558 123.053 122.820 -0.541 0.000 1.972 303 A HA -0.002 4.317 4.320 -0.001 0.000 0.219 303 A C 2.437 179.782 177.584 -0.398 0.000 1.169 303 A CA 1.597 53.172 52.037 -0.770 0.000 0.635 303 A CB -0.346 18.113 19.000 -0.902 0.000 0.810 303 A HN 0.375 nan 8.150 nan 0.000 0.446 304 R N -0.691 119.645 120.500 -0.275 0.000 2.075 304 R HA -0.001 4.338 4.340 -0.001 0.000 0.232 304 R C 1.963 178.158 176.300 -0.175 0.000 1.126 304 R CA 1.463 57.458 56.100 -0.174 0.000 0.963 304 R CB -0.439 29.782 30.300 -0.132 0.000 0.858 304 R HN 0.569 nan 8.270 nan 0.000 0.435 305 I N 0.141 120.583 120.570 -0.213 0.000 2.179 305 I HA -0.277 3.893 4.170 -0.001 0.000 0.242 305 I C 2.247 178.190 176.117 -0.289 0.000 1.088 305 I CA 1.235 62.418 61.300 -0.195 0.000 1.357 305 I CB -0.248 37.648 38.000 -0.173 0.000 1.051 305 I HN -0.030 nan 8.210 nan 0.000 0.409 306 V N 0.911 120.509 119.914 -0.526 0.000 2.307 306 V HA -0.279 3.841 4.120 -0.001 0.000 0.245 306 V C 2.696 178.561 176.094 -0.380 0.000 1.045 306 V CA 1.987 63.800 62.300 -0.811 0.000 1.024 306 V CB -1.038 30.122 31.823 -1.105 0.000 0.651 306 V HN 0.496 nan 8.190 nan 0.000 0.449 307 A N -0.194 122.510 122.820 -0.194 0.000 1.902 307 A HA -0.258 4.061 4.320 -0.001 0.000 0.217 307 A C 2.346 179.879 177.584 -0.085 0.000 1.181 307 A CA 2.083 54.058 52.037 -0.102 0.000 0.623 307 A CB -0.521 18.461 19.000 -0.029 0.000 0.818 307 A HN 0.470 nan 8.150 nan 0.000 0.443 308 R N -0.974 119.477 120.500 -0.081 0.000 2.081 308 R HA -0.073 4.266 4.340 -0.001 0.000 0.235 308 R C 2.306 178.610 176.300 0.007 0.000 1.131 308 R CA 1.988 58.066 56.100 -0.036 0.000 0.960 308 R CB -0.552 29.727 30.300 -0.036 0.000 0.856 308 R HN 0.563 nan 8.270 nan 0.000 0.436 309 T N 0.820 115.379 114.554 0.009 0.000 2.737 309 T HA -0.057 4.292 4.350 -0.001 0.000 0.265 309 T C 1.623 176.428 174.700 0.175 0.000 1.038 309 T CA 1.027 63.189 62.100 0.104 0.000 1.144 309 T CB -0.077 68.887 68.868 0.160 0.000 0.866 309 T HN 0.140 nan 8.240 nan 0.000 0.434 310 L N 1.643 122.927 121.223 0.102 0.000 2.376 310 L HA 0.026 4.366 4.340 -0.001 0.000 0.219 310 L C 2.467 179.345 176.870 0.012 0.000 1.133 310 L CA 0.977 55.899 54.840 0.138 0.000 0.816 310 L CB -0.507 41.559 42.059 0.012 0.000 0.933 310 L HN 0.360 nan 8.230 nan 0.000 0.449 311 S N -3.050 112.653 115.700 0.005 0.000 2.540 311 S HA 0.029 4.498 4.470 -0.001 0.000 0.218 311 S C 0.478 175.082 174.600 0.007 0.000 0.977 311 S CA -0.502 57.681 58.200 -0.027 0.000 0.918 311 S CB 0.053 63.229 63.200 -0.039 0.000 0.806 311 S HN 0.274 nan 8.310 nan 0.000 0.496 312 D N 2.225 122.663 120.400 0.064 0.000 2.381 312 D HA 0.322 4.961 4.640 -0.001 0.000 0.235 312 D C -1.880 174.511 176.300 0.153 0.000 1.068 312 D CA -2.169 51.881 54.000 0.082 0.000 0.832 312 D CB 2.390 43.238 40.800 0.080 0.000 1.101 312 D HN -0.042 nan 8.370 nan 0.000 0.515 313 P HA -0.175 nan 4.420 nan 0.000 0.215 313 P C 1.128 178.579 177.300 0.252 0.000 1.153 313 P CA 1.076 64.286 63.100 0.183 0.000 0.853 313 P CB 0.540 32.299 31.700 0.098 0.000 0.788 314 E N -0.784 119.522 120.200 0.176 0.000 2.072 314 E HA -0.147 4.203 4.350 -0.001 0.000 0.191 314 E C 1.977 178.708 176.600 0.218 0.000 0.985 314 E CA 0.674 57.181 56.400 0.178 0.000 0.801 314 E CB -0.366 29.400 29.700 0.110 0.000 0.750 314 E HN -0.046 nan 8.360 nan 0.000 0.452 315 L N 0.275 121.618 121.223 0.199 0.000 2.093 315 L HA -0.076 4.264 4.340 -0.001 0.000 0.208 315 L C 2.114 179.142 176.870 0.264 0.000 1.085 315 L CA 1.395 56.350 54.840 0.191 0.000 0.755 315 L CB -1.045 41.106 42.059 0.153 0.000 0.904 315 L HN 0.268 nan 8.230 nan 0.000 0.435 316 F N -0.183 119.883 119.950 0.193 0.000 2.102 316 F HA -0.279 4.248 4.527 -0.001 0.000 0.298 316 F C 2.798 178.764 175.800 0.277 0.000 1.105 316 F CA 2.026 60.188 58.000 0.270 0.000 1.239 316 F CB -0.406 38.725 39.000 0.219 0.000 0.991 316 F HN 0.304 nan 8.300 nan 0.000 0.474 317 H N 0.004 119.175 119.070 0.169 0.000 2.319 317 H HA -0.185 4.371 4.556 -0.001 0.000 0.299 317 H C 2.316 177.614 175.328 -0.050 0.000 1.092 317 H CA 2.329 58.396 56.048 0.032 0.000 1.302 317 H CB -0.431 29.397 29.762 0.111 0.000 1.373 317 H HN 0.531 nan 8.280 nan 0.000 0.497 318 E N -0.946 119.235 120.200 -0.032 0.000 2.077 318 E HA -0.207 4.143 4.350 -0.001 0.000 0.193 318 E C 2.023 178.549 176.600 -0.123 0.000 0.989 318 E CA 1.100 57.456 56.400 -0.072 0.000 0.800 318 E CB -0.424 29.302 29.700 0.044 0.000 0.746 318 E HN 0.635 nan 8.360 nan 0.000 0.452 319 W N 1.867 123.002 121.300 -0.274 0.000 2.335 319 W HA -0.233 4.426 4.660 -0.001 0.000 0.311 319 W C 2.455 178.722 176.519 -0.420 0.000 1.213 319 W CA 3.152 60.279 57.345 -0.365 0.000 1.274 319 W CB -0.929 28.293 29.460 -0.397 0.000 1.148 319 W HN 0.193 nan 8.180 nan 0.000 0.498 320 T N -2.174 111.949 114.554 -0.719 0.000 2.759 320 T HA -0.127 4.222 4.350 -0.001 0.000 0.269 320 T C 2.013 176.343 174.700 -0.617 0.000 1.042 320 T CA 1.790 63.378 62.100 -0.853 0.000 1.140 320 T CB -1.383 67.061 68.868 -0.707 0.000 0.864 320 T HN 0.243 nan 8.240 nan 0.000 0.455 321 G N 1.499 110.003 108.800 -0.493 0.000 2.402 321 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.216 321 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.216 321 G C 1.603 176.357 174.900 -0.243 0.000 1.162 321 G CA 0.777 45.680 45.100 -0.328 0.000 0.777 321 G HN 0.675 nan 8.290 nan 0.000 0.539 322 N N -0.027 118.529 118.700 -0.241 0.000 2.166 322 N HA -0.103 4.637 4.740 -0.001 0.000 0.186 322 N C 2.177 177.583 175.510 -0.174 0.000 1.019 322 N CA 0.946 53.941 53.050 -0.092 0.000 0.856 322 N CB -0.070 38.329 38.487 -0.146 0.000 0.993 322 N HN 0.178 nan 8.380 nan 0.000 0.426 323 V N 1.564 121.189 119.914 -0.483 0.000 2.358 323 V HA -0.234 3.886 4.120 -0.001 0.000 0.246 323 V C 2.314 178.202 176.094 -0.343 0.000 1.047 323 V CA 1.530 63.544 62.300 -0.476 0.000 1.035 323 V CB -0.438 30.909 31.823 -0.794 0.000 0.658 323 V HN 0.297 nan 8.190 nan 0.000 0.452 324 K N -0.031 120.170 120.400 -0.330 0.000 2.097 324 K HA -0.189 4.131 4.320 -0.001 0.000 0.206 324 K C 2.109 178.585 176.600 -0.206 0.000 1.049 324 K CA 2.008 58.149 56.287 -0.244 0.000 0.933 324 K CB -0.407 31.964 32.500 -0.215 0.000 0.717 324 K HN 0.468 nan 8.250 nan 0.000 0.442 325 T N 1.295 115.744 114.554 -0.175 0.000 2.684 325 T HA -0.184 4.165 4.350 -0.001 0.000 0.267 325 T C 1.779 176.339 174.700 -0.233 0.000 1.036 325 T CA 1.932 63.929 62.100 -0.171 0.000 1.148 325 T CB -0.150 68.644 68.868 -0.123 0.000 0.863 325 T HN 0.264 nan 8.240 nan 0.000 0.436 326 M N 0.763 120.181 119.600 -0.303 0.000 2.086 326 M HA -0.040 4.440 4.480 -0.001 0.000 0.261 326 M C 2.876 178.945 176.300 -0.385 0.000 1.067 326 M CA 1.634 56.654 55.300 -0.467 0.000 1.116 326 M CB -0.513 31.635 32.600 -0.753 0.000 1.348 326 M HN 0.305 nan 8.290 nan 0.000 0.407 327 A N 0.371 122.947 122.820 -0.408 0.000 1.902 327 A HA -0.189 4.130 4.320 -0.001 0.000 0.217 327 A C 1.708 179.167 177.584 -0.210 0.000 1.181 327 A CA 2.039 53.870 52.037 -0.345 0.000 0.623 327 A CB -0.718 18.119 19.000 -0.272 0.000 0.818 327 A HN 0.390 nan 8.150 nan 0.000 0.443 328 D N -0.888 119.407 120.400 -0.174 0.000 2.144 328 D HA -0.132 4.508 4.640 -0.001 0.000 0.200 328 D C 2.077 178.314 176.300 -0.105 0.000 0.978 328 D CA 1.357 55.283 54.000 -0.124 0.000 0.833 328 D CB -0.301 40.431 40.800 -0.114 0.000 0.961 328 D HN 0.588 nan 8.370 nan 0.000 0.470 329 R N 0.574 121.012 120.500 -0.102 0.000 2.081 329 R HA -0.059 4.281 4.340 -0.001 0.000 0.235 329 R C 2.268 178.525 176.300 -0.071 0.000 1.131 329 R CA 0.940 56.997 56.100 -0.072 0.000 0.960 329 R CB -0.291 29.988 30.300 -0.034 0.000 0.856 329 R HN 0.131 nan 8.270 nan 0.000 0.436 330 I N 0.785 121.306 120.570 -0.081 0.000 2.252 330 I HA -0.275 3.895 4.170 -0.001 0.000 0.245 330 I C 2.162 178.235 176.117 -0.074 0.000 1.102 330 I CA 1.076 62.325 61.300 -0.086 0.000 1.385 330 I CB -0.198 37.725 38.000 -0.128 0.000 1.064 330 I HN 0.207 nan 8.210 nan 0.000 0.414 331 L N -0.133 121.042 121.223 -0.080 0.000 2.046 331 L HA -0.245 4.095 4.340 -0.001 0.000 0.208 331 L C 2.779 179.620 176.870 -0.049 0.000 1.077 331 L CA 1.644 56.448 54.840 -0.059 0.000 0.747 331 L CB -0.625 41.397 42.059 -0.062 0.000 0.896 331 L HN 0.282 nan 8.230 nan 0.000 0.432 332 S N -0.368 115.298 115.700 -0.057 0.000 2.356 332 S HA -0.211 4.258 4.470 -0.001 0.000 0.223 332 S C 2.135 176.706 174.600 -0.048 0.000 1.032 332 S CA 1.263 59.432 58.200 -0.051 0.000 1.005 332 S CB -0.042 63.124 63.200 -0.057 0.000 0.867 332 S HN 0.225 nan 8.310 nan 0.000 0.449 333 M N 1.058 120.626 119.600 -0.052 0.000 2.117 333 M HA -0.008 4.471 4.480 -0.001 0.000 0.262 333 M C 2.295 178.572 176.300 -0.040 0.000 1.065 333 M CA 1.398 56.669 55.300 -0.049 0.000 1.114 333 M CB -1.410 31.157 32.600 -0.056 0.000 1.361 333 M HN 0.381 nan 8.290 nan 0.000 0.408 334 R N -0.505 119.974 120.500 -0.035 0.000 2.073 334 R HA -0.116 4.223 4.340 -0.001 0.000 0.234 334 R C 2.611 178.898 176.300 -0.022 0.000 1.134 334 R CA 1.843 57.930 56.100 -0.023 0.000 0.952 334 R CB -0.544 29.748 30.300 -0.014 0.000 0.850 334 R HN 0.345 nan 8.270 nan 0.000 0.433 335 S N 0.531 116.216 115.700 -0.024 0.000 2.368 335 S HA -0.145 4.324 4.470 -0.001 0.000 0.225 335 S C 1.771 176.356 174.600 -0.026 0.000 1.030 335 S CA 1.200 59.388 58.200 -0.020 0.000 0.999 335 S CB -0.030 63.157 63.200 -0.022 0.000 0.844 335 S HN 0.222 nan 8.310 nan 0.000 0.459 336 E N 0.855 121.035 120.200 -0.034 0.000 2.072 336 E HA -0.076 4.274 4.350 -0.001 0.000 0.191 336 E C 2.101 178.670 176.600 -0.051 0.000 0.985 336 E CA 0.801 57.177 56.400 -0.040 0.000 0.801 336 E CB -0.688 28.988 29.700 -0.040 0.000 0.750 336 E HN 0.495 nan 8.360 nan 0.000 0.452 337 L N 1.562 122.752 121.223 -0.055 0.000 2.017 337 L HA -0.146 4.194 4.340 -0.001 0.000 0.208 337 L C 2.556 179.364 176.870 -0.102 0.000 1.073 337 L CA 1.837 56.630 54.840 -0.079 0.000 0.745 337 L CB -0.411 41.606 42.059 -0.070 0.000 0.894 337 L HN -0.029 nan 8.230 nan 0.000 0.432 338 R N -0.501 119.961 120.500 -0.063 0.000 2.073 338 R HA -0.166 4.174 4.340 -0.001 0.000 0.234 338 R C 2.165 178.436 176.300 -0.048 0.000 1.134 338 R CA 1.468 57.544 56.100 -0.040 0.000 0.952 338 R CB -0.488 29.826 30.300 0.023 0.000 0.850 338 R HN 0.498 nan 8.270 nan 0.000 0.433 339 A N 1.288 124.086 122.820 -0.038 0.000 1.892 339 A HA -0.212 4.107 4.320 -0.001 0.000 0.218 339 A C 2.236 179.783 177.584 -0.062 0.000 1.188 339 A CA 1.785 53.801 52.037 -0.035 0.000 0.631 339 A CB -0.522 18.460 19.000 -0.031 0.000 0.822 339 A HN 0.413 nan 8.150 nan 0.000 0.447 340 R N -0.726 119.723 120.500 -0.085 0.000 2.092 340 R HA 0.039 4.378 4.340 -0.001 0.000 0.231 340 R C 2.073 178.281 176.300 -0.154 0.000 1.119 340 R CA 1.266 57.302 56.100 -0.107 0.000 0.970 340 R CB -0.429 29.810 30.300 -0.102 0.000 0.864 340 R HN 0.512 nan 8.270 nan 0.000 0.440 341 L N 0.486 121.578 121.223 -0.219 0.000 2.093 341 L HA -0.161 4.179 4.340 -0.001 0.000 0.208 341 L C 2.058 178.796 176.870 -0.220 0.000 1.085 341 L CA 1.392 56.022 54.840 -0.351 0.000 0.755 341 L CB -0.278 41.348 42.059 -0.721 0.000 0.904 341 L HN 0.266 nan 8.230 nan 0.000 0.435 342 E N -0.095 120.037 120.200 -0.113 0.000 2.152 342 E HA -0.131 4.218 4.350 -0.001 0.000 0.192 342 E C 2.269 178.859 176.600 -0.017 0.000 0.983 342 E CA 0.871 57.271 56.400 0.001 0.000 0.818 342 E CB -0.037 29.692 29.700 0.048 0.000 0.758 342 E HN 0.461 nan 8.360 nan 0.000 0.467 343 A N 1.011 123.798 122.820 -0.054 0.000 1.969 343 A HA -0.103 4.217 4.320 -0.001 0.000 0.218 343 A C 2.015 179.544 177.584 -0.092 0.000 1.169 343 A CA 0.871 52.872 52.037 -0.061 0.000 0.635 343 A CB -0.356 18.604 19.000 -0.068 0.000 0.810 343 A HN 0.151 nan 8.150 nan 0.000 0.445 344 L N -1.969 119.168 121.223 -0.143 0.000 2.599 344 L HA 0.052 4.391 4.340 -0.001 0.000 0.230 344 L C 0.287 177.064 176.870 -0.155 0.000 1.141 344 L CA 0.109 54.788 54.840 -0.269 0.000 0.877 344 L CB -0.069 41.726 42.059 -0.440 0.000 1.009 344 L HN 0.218 nan 8.230 nan 0.000 0.447 345 K N 0.546 120.933 120.400 -0.021 0.000 3.148 345 K HA -0.142 4.177 4.320 -0.001 0.000 0.267 345 K C -0.029 176.683 176.600 0.188 0.000 0.996 345 K CA 0.502 56.836 56.287 0.078 0.000 0.737 345 K CB -2.077 30.460 32.500 0.062 0.000 1.308 345 K HN 0.182 nan 8.250 nan 0.000 0.470 346 T N 1.856 116.543 114.554 0.221 0.000 2.916 346 T HA 0.240 4.590 4.350 -0.001 0.000 0.303 346 T C -2.065 172.865 174.700 0.383 0.000 1.025 346 T CA -1.087 61.204 62.100 0.317 0.000 1.142 346 T CB 0.729 69.664 68.868 0.112 0.000 0.947 346 T HN -0.010 nan 8.240 nan 0.000 0.544 347 P HA 0.385 nan 4.420 nan 0.000 0.266 347 P C 0.632 178.096 177.300 0.273 0.000 1.195 347 P CA 0.710 63.938 63.100 0.214 0.000 0.768 347 P CB 0.232 31.993 31.700 0.102 0.000 0.838 348 G N 1.381 110.232 108.800 0.086 0.000 2.631 348 G HA2 0.034 3.994 3.960 -0.001 0.000 0.504 348 G HA3 0.034 3.994 3.960 -0.001 0.000 0.504 348 G C -0.637 174.105 174.900 -0.263 0.000 1.306 348 G CA -0.343 44.667 45.100 -0.150 0.000 0.897 348 G HN 0.753 nan 8.290 nan 0.000 0.520 349 T N -3.083 111.186 114.554 -0.475 0.000 2.902 349 T HA 0.630 4.980 4.350 -0.001 0.000 0.283 349 T C 0.053 174.397 174.700 -0.594 0.000 1.009 349 T CA -0.023 61.879 62.100 -0.331 0.000 1.051 349 T CB 1.981 70.753 68.868 -0.159 0.000 0.999 349 T HN 0.883 nan 8.240 nan 0.000 0.474 350 W N 0.927 122.332 121.300 0.175 0.000 2.467 350 W HA 0.260 4.920 4.660 -0.001 0.000 0.369 350 W C 1.601 178.132 176.519 0.020 0.000 0.938 350 W CA -0.776 56.638 57.345 0.114 0.000 1.845 350 W CB 0.347 29.825 29.460 0.031 0.000 1.167 350 W HN 0.797 nan 8.180 nan 0.000 0.558 351 N N 0.870 119.700 118.700 0.217 0.000 2.459 351 N HA -0.210 4.530 4.740 -0.001 0.000 0.181 351 N C 1.522 177.116 175.510 0.140 0.000 1.046 351 N CA 1.438 54.572 53.050 0.140 0.000 0.904 351 N CB -0.789 37.757 38.487 0.098 0.000 0.964 351 N HN 0.372 nan 8.380 nan 0.000 0.444 352 H N 1.593 120.725 119.070 0.104 0.000 2.457 352 H HA -0.007 4.548 4.556 -0.001 0.000 0.297 352 H C 1.864 177.299 175.328 0.178 0.000 1.092 352 H CA 0.490 56.623 56.048 0.142 0.000 1.309 352 H CB -0.386 29.487 29.762 0.184 0.000 1.382 352 H HN 0.130 nan 8.280 nan 0.000 0.535 353 I N 2.179 122.605 120.570 -0.240 0.000 2.361 353 I HA -0.172 3.997 4.170 -0.001 0.000 0.251 353 I C 2.209 178.329 176.117 0.004 0.000 1.133 353 I CA 1.862 63.097 61.300 -0.108 0.000 1.413 353 I CB -1.187 36.763 38.000 -0.083 0.000 1.073 353 I HN 0.487 nan 8.210 nan 0.000 0.424 354 T N -3.961 110.608 114.554 0.026 0.000 3.022 354 T HA 0.092 4.442 4.350 -0.001 0.000 0.250 354 T C 1.306 176.036 174.700 0.051 0.000 1.060 354 T CA -0.023 62.097 62.100 0.033 0.000 1.013 354 T CB 0.163 69.046 68.868 0.025 0.000 0.982 354 T HN 0.061 nan 8.240 nan 0.000 0.508 355 D N 1.699 122.145 120.400 0.077 0.000 2.194 355 D HA 0.064 4.704 4.640 -0.001 0.000 0.204 355 D C 1.033 177.394 176.300 0.103 0.000 0.964 355 D CA 0.627 54.677 54.000 0.084 0.000 0.846 355 D CB -0.093 40.766 40.800 0.099 0.000 0.962 355 D HN 0.557 nan 8.370 nan 0.000 0.490 356 Q N -0.025 119.851 119.800 0.128 0.000 2.454 356 Q HA 0.389 4.728 4.340 -0.001 0.000 0.247 356 Q C -0.293 175.768 176.000 0.102 0.000 1.028 356 Q CA 0.258 56.147 55.803 0.143 0.000 0.910 356 Q CB 1.293 30.138 28.738 0.178 0.000 1.276 356 Q HN 0.085 nan 8.270 nan 0.000 0.489 357 I N 0.365 121.001 120.570 0.110 0.000 2.582 357 I HA 0.611 4.781 4.170 -0.001 0.000 0.292 357 I C 0.299 176.449 176.117 0.055 0.000 1.066 357 I CA -0.187 61.162 61.300 0.082 0.000 1.053 357 I CB 2.129 40.201 38.000 0.119 0.000 1.241 357 I HN 0.807 nan 8.210 nan 0.000 0.421 358 G N 4.437 113.242 108.800 0.007 0.000 2.627 358 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.214 358 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.214 358 G C 0.308 175.168 174.900 -0.067 0.000 1.331 358 G CA -0.128 44.946 45.100 -0.044 0.000 0.891 358 G HN 0.498 nan 8.290 nan 0.000 0.539 359 M N -0.672 118.854 119.600 -0.124 0.000 2.175 359 M HA 0.165 4.645 4.480 -0.001 0.000 0.264 359 M C 0.629 176.734 176.300 -0.325 0.000 1.063 359 M CA 1.383 56.533 55.300 -0.250 0.000 1.119 359 M CB -0.131 32.140 32.600 -0.548 0.000 1.377 359 M HN 0.287 nan 8.290 nan 0.000 0.415 360 F N -0.484 119.476 119.950 0.017 0.000 2.399 360 F HA 0.364 4.890 4.527 -0.001 0.000 0.334 360 F C 0.434 176.273 175.800 0.066 0.000 1.097 360 F CA -0.900 57.128 58.000 0.046 0.000 1.076 360 F CB 1.349 40.374 39.000 0.041 0.000 1.162 360 F HN -0.227 nan 8.300 nan 0.000 0.495 361 S N 2.552 118.446 115.700 0.324 0.000 2.547 361 S HA 0.590 5.059 4.470 -0.001 0.000 0.281 361 S C -1.516 173.269 174.600 0.309 0.000 1.118 361 S CA -0.520 57.832 58.200 0.254 0.000 0.947 361 S CB 0.448 63.757 63.200 0.181 0.000 1.053 361 S HN 0.316 nan 8.310 nan 0.000 0.482 362 F N 3.938 123.845 119.950 -0.072 0.000 2.375 362 F HA 0.297 4.823 4.527 -0.001 0.000 0.362 362 F C 1.998 177.838 175.800 0.066 0.000 1.129 362 F CA -0.633 57.219 58.000 -0.246 0.000 1.154 362 F CB 1.275 39.715 39.000 -0.934 0.000 1.205 362 F HN 0.828 nan 8.300 nan 0.000 0.513 363 T N -0.336 114.328 114.554 0.185 0.000 2.951 363 T HA 0.162 4.511 4.350 -0.001 0.000 0.268 363 T C 1.703 176.682 174.700 0.464 0.000 1.073 363 T CA 0.849 63.179 62.100 0.384 0.000 1.134 363 T CB -0.273 68.749 68.868 0.257 0.000 0.884 363 T HN 0.973 nan 8.240 nan 0.000 0.479 364 G N 1.024 109.958 108.800 0.224 0.000 2.176 364 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.232 364 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.232 364 G C -0.024 174.936 174.900 0.099 0.000 0.986 364 G CA -0.023 45.176 45.100 0.165 0.000 0.643 364 G HN 0.627 nan 8.290 nan 0.000 0.522 365 L N 1.506 122.789 121.223 0.099 0.000 2.461 365 L HA 0.339 4.679 4.340 -0.001 0.000 0.272 365 L C 1.026 177.895 176.870 -0.002 0.000 1.197 365 L CA -0.294 54.585 54.840 0.066 0.000 0.836 365 L CB 0.362 42.463 42.059 0.069 0.000 1.105 365 L HN 0.545 nan 8.230 nan 0.000 0.477 366 N N 2.606 121.308 118.700 0.004 0.000 2.458 366 N HA 0.303 5.042 4.740 -0.001 0.000 0.271 366 N C -2.300 173.200 175.510 -0.018 0.000 1.210 366 N CA -1.909 51.135 53.050 -0.011 0.000 0.978 366 N CB 0.178 38.663 38.487 -0.003 0.000 1.206 366 N HN 0.132 nan 8.380 nan 0.000 0.536 367 P HA -0.095 nan 4.420 nan 0.000 0.216 367 P C 0.693 177.991 177.300 -0.005 0.000 1.150 367 P CA 1.633 64.723 63.100 -0.017 0.000 0.837 367 P CB 0.190 31.882 31.700 -0.013 0.000 0.786 368 K N -0.440 119.960 120.400 0.000 0.000 2.103 368 K HA -0.084 4.236 4.320 -0.001 0.000 0.204 368 K C 2.213 178.829 176.600 0.026 0.000 1.052 368 K CA 1.388 57.681 56.287 0.010 0.000 0.945 368 K CB -0.724 31.776 32.500 0.001 0.000 0.722 368 K HN 0.206 nan 8.250 nan 0.000 0.443 369 Q N -0.329 119.478 119.800 0.010 0.000 2.172 369 Q HA -0.059 4.281 4.340 -0.001 0.000 0.200 369 Q C 1.919 177.950 176.000 0.052 0.000 0.964 369 Q CA 1.047 56.861 55.803 0.018 0.000 0.855 369 Q CB 0.059 28.796 28.738 -0.001 0.000 0.918 369 Q HN 0.030 nan 8.270 nan 0.000 0.444 370 V N 1.000 120.925 119.914 0.019 0.000 2.307 370 V HA -0.266 3.853 4.120 -0.001 0.000 0.245 370 V C 2.108 178.198 176.094 -0.008 0.000 1.045 370 V CA 1.960 64.260 62.300 -0.001 0.000 1.024 370 V CB -0.482 31.326 31.823 -0.025 0.000 0.651 370 V HN 0.386 nan 8.190 nan 0.000 0.449 371 E N -0.827 119.376 120.200 0.004 0.000 2.085 371 E HA -0.293 4.056 4.350 -0.001 0.000 0.194 371 E C 2.148 178.738 176.600 -0.018 0.000 0.994 371 E CA 1.921 58.313 56.400 -0.013 0.000 0.801 371 E CB -0.253 29.451 29.700 0.007 0.000 0.743 371 E HN 0.718 nan 8.360 nan 0.000 0.453 372 Y N 1.029 121.280 120.300 -0.082 0.000 2.097 372 Y HA -0.245 4.305 4.550 -0.000 0.000 0.282 372 Y C 2.003 177.830 175.900 -0.122 0.000 1.152 372 Y CA 1.790 59.837 58.100 -0.088 0.000 1.136 372 Y CB -0.313 38.106 38.460 -0.068 0.000 0.975 372 Y HN 0.012 nan 8.280 nan 0.000 0.498 373 L N -0.402 120.845 121.223 0.039 0.000 2.042 373 L HA -0.263 4.077 4.340 -0.001 0.000 0.210 373 L C 2.397 179.108 176.870 -0.265 0.000 1.076 373 L CA 1.608 56.394 54.840 -0.091 0.000 0.749 373 L CB -0.548 41.503 42.059 -0.014 0.000 0.893 373 L HN 0.328 nan 8.230 nan 0.000 0.432 374 I N -0.513 119.884 120.570 -0.289 0.000 2.133 374 I HA -0.259 3.911 4.170 -0.001 0.000 0.238 374 I C 2.298 178.100 176.117 -0.525 0.000 1.074 374 I CA 1.100 62.103 61.300 -0.495 0.000 1.342 374 I CB -0.442 37.321 38.000 -0.396 0.000 1.053 374 I HN 0.297 nan 8.210 nan 0.000 0.404 375 N N 0.600 119.079 118.700 -0.368 0.000 2.025 375 N HA -0.207 4.532 4.740 -0.001 0.000 0.194 375 N C 1.912 177.147 175.510 -0.458 0.000 1.044 375 N CA 1.482 54.330 53.050 -0.337 0.000 0.851 375 N CB -0.412 37.955 38.487 -0.200 0.000 1.036 375 N HN 0.326 nan 8.380 nan 0.000 0.422 376 Q N 0.513 119.992 119.800 -0.535 0.000 2.163 376 Q HA 0.120 4.459 4.340 -0.001 0.000 0.198 376 Q C 1.246 176.984 176.000 -0.438 0.000 0.954 376 Q CA 1.105 56.569 55.803 -0.565 0.000 0.851 376 Q CB 0.088 28.239 28.738 -0.979 0.000 0.928 376 Q HN 0.268 nan 8.270 nan 0.000 0.459 377 K N -0.396 119.757 120.400 -0.412 0.000 2.358 377 K HA 0.154 4.474 4.320 -0.001 0.000 0.197 377 K C -0.414 176.257 176.600 0.117 0.000 1.025 377 K CA -0.108 56.133 56.287 -0.077 0.000 1.104 377 K CB 0.421 32.843 32.500 -0.131 0.000 0.855 377 K HN 0.302 nan 8.250 nan 0.000 0.531 378 H N -0.039 118.999 119.070 -0.054 0.000 2.903 378 H HA -0.146 4.410 4.556 -0.001 0.000 0.285 378 H C -0.377 175.009 175.328 0.097 0.000 1.231 378 H CA 0.605 56.659 56.048 0.010 0.000 1.135 378 H CB -2.124 27.732 29.762 0.155 0.000 1.328 378 H HN 0.177 nan 8.280 nan 0.000 0.388 379 I N 1.365 121.899 120.570 -0.060 0.000 2.328 379 I HA 0.169 4.339 4.170 -0.001 0.000 0.287 379 I C 0.057 176.088 176.117 -0.143 0.000 1.012 379 I CA -0.540 60.786 61.300 0.043 0.000 1.195 379 I CB 0.600 38.619 38.000 0.032 0.000 1.350 379 I HN -0.044 nan 8.210 nan 0.000 0.464 380 Y N 7.631 128.000 120.300 0.115 0.000 2.341 380 Y HA 0.642 5.192 4.550 -0.000 0.000 0.340 380 Y C 0.173 176.081 175.900 0.012 0.000 0.997 380 Y CA -0.583 57.561 58.100 0.073 0.000 1.149 380 Y CB 1.051 39.586 38.460 0.125 0.000 1.171 380 Y HN 0.410 nan 8.280 nan 0.000 0.494 381 L N 0.807 122.097 121.223 0.112 0.000 2.720 381 L HA 0.682 5.022 4.340 -0.001 0.000 0.261 381 L C -1.742 175.148 176.870 0.033 0.000 1.046 381 L CA -1.316 53.559 54.840 0.058 0.000 0.886 381 L CB 1.615 43.690 42.059 0.027 0.000 1.493 381 L HN 0.364 nan 8.230 nan 0.000 0.407 382 L N 0.964 122.188 121.223 0.002 0.000 2.436 382 L HA 0.354 4.694 4.340 -0.001 0.000 0.265 382 L C -1.472 175.362 176.870 -0.060 0.000 1.168 382 L CA -1.508 53.318 54.840 -0.024 0.000 0.815 382 L CB 0.758 42.792 42.059 -0.041 0.000 1.109 382 L HN 0.539 nan 8.230 nan 0.000 0.462 383 P HA -0.141 nan 4.420 nan 0.000 0.223 383 P C 1.258 178.492 177.300 -0.111 0.000 1.144 383 P CA 0.939 64.003 63.100 -0.059 0.000 0.783 383 P CB 0.106 31.787 31.700 -0.032 0.000 0.771 384 S N -1.990 113.609 115.700 -0.169 0.000 2.522 384 S HA 0.172 4.641 4.470 -0.001 0.000 0.227 384 S C 1.760 176.014 174.600 -0.576 0.000 0.986 384 S CA 0.642 58.637 58.200 -0.341 0.000 0.929 384 S CB -1.279 61.719 63.200 -0.336 0.000 0.769 384 S HN 0.291 nan 8.310 nan 0.000 0.529 385 G N 1.387 109.976 108.800 -0.352 0.000 2.157 385 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.248 385 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.248 385 G C 0.088 174.804 174.900 -0.307 0.000 0.979 385 G CA 0.067 44.989 45.100 -0.296 0.000 0.650 385 G HN 0.703 nan 8.290 nan 0.000 0.529 386 R N 0.773 121.076 120.500 -0.328 0.000 2.442 386 R HA 0.539 4.879 4.340 -0.001 0.000 0.291 386 R C 0.750 177.087 176.300 0.062 0.000 1.069 386 R CA 0.131 56.200 56.100 -0.051 0.000 1.022 386 R CB 0.047 30.393 30.300 0.076 0.000 0.976 386 R HN 0.725 nan 8.270 nan 0.000 0.443 387 I N 0.758 121.419 120.570 0.151 0.000 2.892 387 I HA 0.450 4.619 4.170 -0.001 0.000 0.306 387 I C -1.007 175.257 176.117 0.245 0.000 1.078 387 I CA -1.192 60.198 61.300 0.151 0.000 1.032 387 I CB 2.178 40.231 38.000 0.090 0.000 1.229 387 I HN 0.421 nan 8.210 nan 0.000 0.435 388 N N 5.346 124.150 118.700 0.174 0.000 2.437 388 N HA 0.297 5.037 4.740 -0.001 0.000 0.259 388 N C 0.511 176.009 175.510 -0.020 0.000 0.983 388 N CA -0.655 52.428 53.050 0.056 0.000 0.937 388 N CB 1.418 39.919 38.487 0.024 0.000 1.122 388 N HN 0.739 nan 8.380 nan 0.000 0.499 389 M N 1.800 121.370 119.600 -0.049 0.000 2.346 389 M HA -0.109 4.370 4.480 -0.001 0.000 0.263 389 M C 1.620 177.873 176.300 -0.080 0.000 1.064 389 M CA 0.680 55.951 55.300 -0.048 0.000 1.083 389 M CB -1.233 31.340 32.600 -0.045 0.000 1.399 389 M HN 0.542 nan 8.290 nan 0.000 0.435 390 C N 0.197 119.430 119.300 -0.111 0.000 2.491 390 C HA 0.066 4.526 4.460 -0.001 0.000 0.277 390 C C 2.636 177.534 174.990 -0.153 0.000 1.455 390 C CA 0.580 59.495 59.018 -0.172 0.000 1.758 390 C CB -1.878 25.732 27.740 -0.217 0.000 1.745 390 C HN 0.701 nan 8.230 nan 0.000 0.558 391 G N -0.145 108.595 108.800 -0.100 0.000 2.712 391 G HA2 0.162 4.121 3.960 -0.001 0.000 0.212 391 G HA3 0.162 4.121 3.960 -0.001 0.000 0.212 391 G C 0.538 175.406 174.900 -0.053 0.000 1.142 391 G CA 0.111 45.162 45.100 -0.083 0.000 0.789 391 G HN 0.464 nan 8.290 nan 0.000 0.535 392 L N 1.601 122.792 121.223 -0.053 0.000 2.350 392 L HA 0.526 4.865 4.340 -0.001 0.000 0.275 392 L C 0.576 177.414 176.870 -0.054 0.000 1.099 392 L CA -0.460 54.359 54.840 -0.036 0.000 0.808 392 L CB 1.713 43.752 42.059 -0.035 0.000 1.149 392 L HN 0.132 nan 8.230 nan 0.000 0.442 393 T N -3.516 111.018 114.554 -0.034 0.000 2.841 393 T HA 0.220 4.570 4.350 -0.001 0.000 0.296 393 T C 0.878 175.560 174.700 -0.029 0.000 1.166 393 T CA -0.066 62.008 62.100 -0.044 0.000 1.007 393 T CB 1.534 70.378 68.868 -0.040 0.000 1.253 393 T HN 0.667 nan 8.240 nan 0.000 0.511 394 T N -0.784 113.748 114.554 -0.036 0.000 2.849 394 T HA -0.078 4.272 4.350 -0.001 0.000 0.270 394 T C 1.510 176.201 174.700 -0.014 0.000 1.066 394 T CA 1.100 63.183 62.100 -0.028 0.000 1.130 394 T CB -0.497 68.351 68.868 -0.033 0.000 0.864 394 T HN 0.680 nan 8.240 nan 0.000 0.481 395 K N 1.723 122.116 120.400 -0.011 0.000 2.243 395 K HA 0.079 4.399 4.320 -0.001 0.000 0.201 395 K C 1.930 178.542 176.600 0.020 0.000 1.051 395 K CA 1.107 57.393 56.287 -0.001 0.000 0.970 395 K CB 0.016 32.511 32.500 -0.008 0.000 0.755 395 K HN 0.592 nan 8.250 nan 0.000 0.465 396 N N -0.272 118.449 118.700 0.034 0.000 2.205 396 N HA -0.037 4.702 4.740 -0.001 0.000 0.201 396 N C 1.285 176.854 175.510 0.098 0.000 1.128 396 N CA 0.009 53.112 53.050 0.087 0.000 0.867 396 N CB -0.049 38.500 38.487 0.103 0.000 0.996 396 N HN -0.090 nan 8.380 nan 0.000 0.503 397 L N 1.522 122.771 121.223 0.043 0.000 2.043 397 L HA -0.134 4.206 4.340 -0.001 0.000 0.212 397 L C 1.433 178.314 176.870 0.018 0.000 1.075 397 L CA 1.816 56.665 54.840 0.015 0.000 0.752 397 L CB -0.992 41.061 42.059 -0.010 0.000 0.891 397 L HN 0.222 nan 8.230 nan 0.000 0.432 398 D N -2.124 118.298 120.400 0.036 0.000 2.117 398 D HA -0.252 4.388 4.640 -0.001 0.000 0.198 398 D C 2.029 178.366 176.300 0.061 0.000 0.982 398 D CA 1.255 55.274 54.000 0.030 0.000 0.828 398 D CB 0.014 40.832 40.800 0.030 0.000 0.967 398 D HN 0.412 nan 8.370 nan 0.000 0.464 399 Y N 1.824 122.120 120.300 -0.007 0.000 2.145 399 Y HA -0.225 4.325 4.550 -0.001 0.000 0.286 399 Y C 2.221 178.128 175.900 0.012 0.000 1.145 399 Y CA 1.080 59.185 58.100 0.009 0.000 1.148 399 Y CB -0.450 38.022 38.460 0.020 0.000 0.981 399 Y HN -0.229 nan 8.280 nan 0.000 0.507 400 V N 0.352 120.243 119.914 -0.039 0.000 2.358 400 V HA -0.297 3.823 4.120 -0.001 0.000 0.246 400 V C 2.687 178.694 176.094 -0.145 0.000 1.047 400 V CA 1.752 63.979 62.300 -0.122 0.000 1.035 400 V CB -1.633 30.183 31.823 -0.011 0.000 0.658 400 V HN 0.544 nan 8.190 nan 0.000 0.452 401 A N -0.138 122.615 122.820 -0.111 0.000 1.877 401 A HA -0.243 4.076 4.320 -0.001 0.000 0.216 401 A C 2.411 179.922 177.584 -0.120 0.000 1.186 401 A CA 2.613 54.569 52.037 -0.135 0.000 0.620 401 A CB -1.111 17.814 19.000 -0.126 0.000 0.822 401 A HN 0.489 nan 8.150 nan 0.000 0.443 402 T N 0.256 114.744 114.554 -0.109 0.000 2.720 402 T HA -0.126 4.223 4.350 -0.001 0.000 0.268 402 T C 2.246 176.910 174.700 -0.061 0.000 1.037 402 T CA 1.782 63.839 62.100 -0.072 0.000 1.144 402 T CB -0.343 68.488 68.868 -0.062 0.000 0.864 402 T HN 0.511 nan 8.240 nan 0.000 0.444 403 S N 1.012 116.600 115.700 -0.186 0.000 2.368 403 S HA 0.024 4.494 4.470 -0.001 0.000 0.225 403 S C 2.040 176.609 174.600 -0.052 0.000 1.030 403 S CA 0.841 58.945 58.200 -0.159 0.000 0.999 403 S CB -0.374 62.604 63.200 -0.369 0.000 0.844 403 S HN 0.416 nan 8.310 nan 0.000 0.459 404 I N 0.976 121.493 120.570 -0.089 0.000 2.252 404 I HA -0.208 3.962 4.170 -0.001 0.000 0.245 404 I C 2.580 178.644 176.117 -0.087 0.000 1.102 404 I CA 1.310 62.559 61.300 -0.085 0.000 1.385 404 I CB -0.445 37.465 38.000 -0.149 0.000 1.064 404 I HN 0.426 nan 8.210 nan 0.000 0.414 405 H N 1.676 120.653 119.070 -0.156 0.000 2.319 405 H HA -0.209 4.346 4.556 -0.001 0.000 0.297 405 H C 1.967 177.239 175.328 -0.093 0.000 1.097 405 H CA 2.187 58.160 56.048 -0.126 0.000 1.285 405 H CB 0.127 29.816 29.762 -0.122 0.000 1.368 405 H HN 0.441 nan 8.280 nan 0.000 0.495 406 E N 0.278 120.428 120.200 -0.083 0.000 2.077 406 E HA -0.119 4.230 4.350 -0.001 0.000 0.193 406 E C 2.502 178.894 176.600 -0.346 0.000 0.989 406 E CA 0.758 57.063 56.400 -0.159 0.000 0.800 406 E CB -0.117 29.591 29.700 0.015 0.000 0.746 406 E HN 0.521 nan 8.360 nan 0.000 0.452 407 A N 1.118 123.758 122.820 -0.300 0.000 1.908 407 A HA -0.175 4.144 4.320 -0.001 0.000 0.218 407 A C 2.529 179.947 177.584 -0.277 0.000 1.181 407 A CA 1.409 53.210 52.037 -0.395 0.000 0.627 407 A CB -0.751 18.194 19.000 -0.092 0.000 0.818 407 A HN 0.133 nan 8.150 nan 0.000 0.445 408 V N 0.395 120.202 119.914 -0.178 0.000 2.358 408 V HA -0.204 3.915 4.120 -0.001 0.000 0.246 408 V C 2.986 178.988 176.094 -0.154 0.000 1.047 408 V CA 2.408 64.651 62.300 -0.096 0.000 1.035 408 V CB -1.126 30.710 31.823 0.023 0.000 0.658 408 V HN 0.867 nan 8.190 nan 0.000 0.452 409 T N -2.065 112.331 114.554 -0.263 0.000 2.896 409 T HA -0.103 4.247 4.350 -0.001 0.000 0.263 409 T C 1.781 176.366 174.700 -0.191 0.000 1.050 409 T CA 1.027 62.985 62.100 -0.236 0.000 1.140 409 T CB -0.131 68.534 68.868 -0.339 0.000 0.877 409 T HN 0.439 nan 8.240 nan 0.000 0.457 410 K N 0.183 120.432 120.400 -0.251 0.000 2.166 410 K HA 0.246 4.566 4.320 -0.001 0.000 0.201 410 K C 1.889 178.357 176.600 -0.220 0.000 1.052 410 K CA 0.435 56.580 56.287 -0.237 0.000 0.969 410 K CB 0.118 32.429 32.500 -0.315 0.000 0.761 410 K HN 0.235 nan 8.250 nan 0.000 0.459 411 I N 1.501 121.913 120.570 -0.263 0.000 2.867 411 I HA -0.046 4.124 4.170 -0.001 0.000 0.265 411 I C 1.547 177.601 176.117 -0.103 0.000 1.162 411 I CA 0.771 61.966 61.300 -0.174 0.000 1.471 411 I CB -0.968 36.917 38.000 -0.190 0.000 1.123 411 I HN 0.253 nan 8.210 nan 0.000 0.440 412 Q N 0.000 119.741 119.800 -0.098 0.000 2.315 412 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 412 Q CA 0.000 55.768 55.803 -0.059 0.000 1.022 412 Q CB 0.000 28.714 28.738 -0.040 0.000 1.108 412 Q HN 0.000 nan 8.270 nan 0.000 0.481