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 1vjc_1_A DATA FIRST_RESID 1 DATA SEQUENCE SLSNKLTLDK LDVKGKRVVM RVDFNVPMKN NQITNNQRIK AAIPSIKFCL DATA SEQUENCE DNGAKSVVLM SHLGRPDGIP MPDKYSLEPV AVELKSLLGK DVLFLKDCVG DATA SEQUENCE PEVEKACADP AAGSVILLEN LRFHVEEEGK GKDASGSKVK ADPAKIEAFR DATA SEQUENCE ASLSKLGDVY VNDAFGTAHR AHSSMVGVNL PKKAGGFLMK KELNYFAKAL DATA SEQUENCE ESPERPFLAI LGGAKVADKI QLINNMLDKV NEMIIGGGMA FTFLKVLNNM DATA SEQUENCE EIGTSLFDEE GSKIVKDLMS KAEKNGVKIT LPVDFVTADK FDENAKTGQA DATA SEQUENCE TVASGIPAGW MGLDCGPESS KKYSEAVARA KQIVWNGPVG VFEWEAFAQG DATA SEQUENCE TKALMDEVVK ATSRGCITII GGGDTATCCA KWNTEDKVSH VSTGGGASLE DATA SEQUENCE LLEGKVLPGV DALSNV 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.612 174.600 0.020 0.000 1.055 1 S CA 0.000 58.209 58.200 0.015 0.000 1.107 1 S CB 0.000 63.212 63.200 0.019 0.000 0.593 2 L N 2.371 123.611 121.223 0.028 0.000 2.265 2 L HA 0.085 4.457 4.340 0.052 0.000 0.215 2 L C 2.441 179.324 176.870 0.021 0.000 1.117 2 L CA 1.712 56.575 54.840 0.039 0.000 0.782 2 L CB -0.298 41.797 42.059 0.061 0.000 0.914 2 L HN 0.596 nan 8.230 nan 0.000 0.441 3 S N -0.150 115.552 115.700 0.003 0.000 2.593 3 S HA -0.009 4.492 4.470 0.052 0.000 0.217 3 S C 1.334 175.929 174.600 -0.008 0.000 0.966 3 S CA 0.735 58.927 58.200 -0.014 0.000 0.914 3 S CB -0.505 62.677 63.200 -0.031 0.000 0.776 3 S HN 0.567 nan 8.310 nan 0.000 0.523 4 N N 1.084 119.786 118.700 0.003 0.000 2.251 4 N HA 0.256 5.027 4.740 0.052 0.000 0.217 4 N C 0.060 175.576 175.510 0.010 0.000 1.124 4 N CA -0.273 52.780 53.050 0.005 0.000 0.843 4 N CB 0.039 38.530 38.487 0.006 0.000 1.024 4 N HN 0.172 nan 8.380 nan 0.000 0.501 5 K N 0.471 120.879 120.400 0.014 0.000 2.130 5 K HA 0.370 4.721 4.320 0.052 0.000 0.268 5 K C -0.282 176.326 176.600 0.013 0.000 0.983 5 K CA -0.535 55.763 56.287 0.020 0.000 0.893 5 K CB 2.331 34.850 32.500 0.032 0.000 1.066 5 K HN 0.256 nan 8.250 nan 0.000 0.450 6 L N 2.549 123.780 121.223 0.014 0.000 2.490 6 L HA 0.041 4.413 4.340 0.052 0.000 0.274 6 L C 0.242 177.105 176.870 -0.012 0.000 1.201 6 L CA 0.691 55.534 54.840 0.005 0.000 0.869 6 L CB 0.512 42.577 42.059 0.011 0.000 1.123 6 L HN 0.777 nan 8.230 nan 0.000 0.484 7 T N 1.172 115.710 114.554 -0.026 0.000 2.916 7 T HA 0.236 4.617 4.350 0.052 0.000 0.292 7 T C 0.711 175.337 174.700 -0.123 0.000 1.055 7 T CA -0.925 61.137 62.100 -0.064 0.000 1.009 7 T CB 1.755 70.610 68.868 -0.021 0.000 1.118 7 T HN 0.457 nan 8.240 nan 0.000 0.497 8 L N 1.583 122.635 121.223 -0.285 0.000 2.051 8 L HA -0.131 4.241 4.340 0.052 0.000 0.214 8 L C 2.249 178.889 176.870 -0.383 0.000 1.076 8 L CA 2.392 56.960 54.840 -0.455 0.000 0.758 8 L CB -0.991 40.473 42.059 -0.992 0.000 0.890 8 L HN 0.912 nan 8.230 nan 0.000 0.433 9 D N -0.974 119.260 120.400 -0.277 0.000 2.218 9 D HA -0.243 4.428 4.640 0.052 0.000 0.204 9 D C 1.362 177.729 176.300 0.113 0.000 0.976 9 D CA 1.169 55.145 54.000 -0.040 0.000 0.853 9 D CB -0.362 40.508 40.800 0.116 0.000 0.939 9 D HN 0.396 nan 8.370 nan 0.000 0.481 10 K N -0.361 120.067 120.400 0.047 0.000 2.500 10 K HA 0.225 4.577 4.320 0.052 0.000 0.206 10 K C -0.282 176.352 176.600 0.056 0.000 1.034 10 K CA -0.438 55.884 56.287 0.058 0.000 1.179 10 K CB 0.438 32.957 32.500 0.032 0.000 0.884 10 K HN 0.052 nan 8.250 nan 0.000 0.493 11 L N 0.872 122.142 121.223 0.078 0.000 2.346 11 L HA 0.287 4.658 4.340 0.052 0.000 0.276 11 L C -1.157 175.781 176.870 0.113 0.000 1.006 11 L CA -0.629 54.254 54.840 0.071 0.000 0.817 11 L CB 1.707 43.785 42.059 0.032 0.000 1.272 11 L HN -0.074 nan 8.230 nan 0.000 0.421 12 D N 2.785 123.229 120.400 0.073 0.000 2.411 12 D HA 0.248 4.920 4.640 0.052 0.000 0.225 12 D C 0.733 177.061 176.300 0.046 0.000 1.156 12 D CA -0.214 53.822 54.000 0.060 0.000 0.874 12 D CB 1.022 41.844 40.800 0.038 0.000 1.034 12 D HN 0.356 nan 8.370 nan 0.000 0.502 13 V N 0.531 120.474 119.914 0.049 0.000 3.354 13 V HA 0.259 4.411 4.120 0.052 0.000 0.258 13 V C 1.394 177.490 176.094 0.003 0.000 1.159 13 V CA 0.278 62.596 62.300 0.030 0.000 1.125 13 V CB -1.701 30.148 31.823 0.043 0.000 0.774 13 V HN 0.544 nan 8.190 nan 0.000 0.464 14 K N 1.714 122.108 120.400 -0.009 0.000 2.401 14 K HA 0.274 4.626 4.320 0.052 0.000 0.267 14 K C 1.491 178.085 176.600 -0.009 0.000 1.140 14 K CA 1.114 57.390 56.287 -0.018 0.000 1.199 14 K CB -1.832 30.657 32.500 -0.017 0.000 0.822 14 K HN 2.043 nan 8.250 nan 0.000 0.488 15 G N 1.118 109.911 108.800 -0.011 0.000 2.168 15 G HA2 -0.279 3.712 3.960 0.052 0.000 0.257 15 G HA3 -0.279 3.712 3.960 0.052 0.000 0.257 15 G C 0.222 175.121 174.900 -0.002 0.000 0.997 15 G CA 0.928 46.024 45.100 -0.007 0.000 0.708 15 G HN 0.865 nan 8.290 nan 0.000 0.520 16 K N -0.427 119.973 120.400 -0.000 0.000 2.208 16 K HA 0.586 4.937 4.320 0.052 0.000 0.247 16 K C 0.596 177.198 176.600 0.004 0.000 0.953 16 K CA -0.926 55.364 56.287 0.004 0.000 0.837 16 K CB 1.069 33.574 32.500 0.009 0.000 1.131 16 K HN 0.177 nan 8.250 nan 0.000 0.431 17 R N 1.255 121.757 120.500 0.004 0.000 2.298 17 R HA 0.230 4.601 4.340 0.052 0.000 0.310 17 R C -0.801 175.503 176.300 0.006 0.000 1.068 17 R CA -0.424 55.678 56.100 0.003 0.000 0.957 17 R CB 0.795 31.095 30.300 0.000 0.000 1.003 17 R HN 0.212 nan 8.270 nan 0.000 0.454 18 V N 5.055 124.971 119.914 0.003 0.000 2.370 18 V HA 0.199 4.351 4.120 0.052 0.000 0.283 18 V C -0.016 176.074 176.094 -0.007 0.000 1.023 18 V CA -0.825 61.474 62.300 -0.002 0.000 0.857 18 V CB 1.581 33.399 31.823 -0.009 0.000 0.985 18 V HN 0.504 nan 8.190 nan 0.000 0.443 19 V N 3.640 123.559 119.914 0.008 0.000 2.383 19 V HA 0.642 4.794 4.120 0.052 0.000 0.275 19 V C -0.221 175.843 176.094 -0.049 0.000 1.036 19 V CA -0.463 61.849 62.300 0.021 0.000 0.889 19 V CB 1.139 33.023 31.823 0.102 0.000 0.985 19 V HN 0.911 nan 8.190 nan 0.000 0.459 20 M N 5.057 124.602 119.600 -0.091 0.000 2.259 20 M HA 0.566 5.078 4.480 0.052 0.000 0.304 20 M C -0.739 175.454 176.300 -0.178 0.000 1.019 20 M CA -0.698 54.483 55.300 -0.198 0.000 0.922 20 M CB 1.806 34.309 32.600 -0.161 0.000 1.600 20 M HN 0.682 nan 8.290 nan 0.000 0.433 21 R N 4.251 124.613 120.500 -0.230 0.000 2.202 21 R HA 0.564 4.936 4.340 0.052 0.000 0.334 21 R C -1.244 174.949 176.300 -0.178 0.000 1.036 21 R CA -0.103 55.923 56.100 -0.123 0.000 0.878 21 R CB 0.389 30.694 30.300 0.009 0.000 1.067 21 R HN 0.659 nan 8.270 nan 0.000 0.457 22 V N -0.014 119.741 119.914 -0.264 0.000 3.113 22 V HA 0.523 4.674 4.120 0.052 0.000 0.316 22 V C -0.345 175.548 176.094 -0.334 0.000 1.125 22 V CA -1.132 60.949 62.300 -0.365 0.000 1.026 22 V CB 2.254 33.652 31.823 -0.709 0.000 1.080 22 V HN 0.524 nan 8.190 nan 0.000 0.444 23 D N 0.695 120.964 120.400 -0.217 0.000 2.473 23 D HA 0.393 5.064 4.640 0.052 0.000 0.226 23 D C -0.420 175.955 176.300 0.126 0.000 1.089 23 D CA -0.401 53.560 54.000 -0.065 0.000 0.883 23 D CB 0.339 41.164 40.800 0.042 0.000 1.029 23 D HN 0.589 nan 8.370 nan 0.000 0.517 24 F N 2.170 122.064 119.950 -0.093 0.000 2.791 24 F HA 0.137 4.683 4.527 0.032 0.000 0.308 24 F C 1.227 176.963 175.800 -0.106 0.000 1.138 24 F CA -0.747 57.211 58.000 -0.071 0.000 1.294 24 F CB 0.433 39.410 39.000 -0.039 0.000 0.975 24 F HN 0.166 nan 8.300 nan 0.000 0.512 25 N N 2.436 121.137 118.700 0.002 0.000 3.193 25 N HA 0.026 4.797 4.740 0.052 0.000 0.312 25 N C -0.144 175.378 175.510 0.020 0.000 1.261 25 N CA 0.004 53.015 53.050 -0.065 0.000 1.208 25 N CB -0.261 38.118 38.487 -0.178 0.000 1.471 25 N HN 0.124 nan 8.380 nan 0.000 0.548 26 V N -0.029 119.907 119.914 0.037 0.000 2.881 26 V HA 0.604 4.755 4.120 0.052 0.000 0.303 26 V C -2.037 174.079 176.094 0.036 0.000 1.070 26 V CA -1.702 60.612 62.300 0.024 0.000 1.074 26 V CB 0.648 32.464 31.823 -0.011 0.000 1.012 26 V HN 0.275 nan 8.190 nan 0.000 0.482 27 P HA 0.444 nan 4.420 nan 0.000 0.280 27 P C -0.971 176.349 177.300 0.034 0.000 1.244 27 P CA -0.350 62.774 63.100 0.041 0.000 0.784 27 P CB 1.087 32.805 31.700 0.030 0.000 0.913 28 M N 2.693 122.323 119.600 0.051 0.000 2.259 28 M HA 0.369 4.880 4.480 0.052 0.000 0.304 28 M C 1.257 177.575 176.300 0.030 0.000 1.019 28 M CA -0.314 55.007 55.300 0.035 0.000 0.922 28 M CB 2.121 34.748 32.600 0.045 0.000 1.600 28 M HN 0.276 nan 8.290 nan 0.000 0.433 29 K N 1.587 121.995 120.400 0.014 0.000 2.555 29 K HA 0.278 4.629 4.320 0.052 0.000 0.193 29 K C 0.683 177.285 176.600 0.004 0.000 1.032 29 K CA 1.899 58.193 56.287 0.011 0.000 1.004 29 K CB -1.397 nan 32.500 nan 0.000 0.804 29 K HN 0.999 nan 8.250 nan 0.000 0.496 30 N N -3.313 115.386 118.700 -0.002 0.000 2.620 30 N HA 0.073 4.844 4.740 0.052 0.000 0.360 30 N C 1.302 176.798 175.510 -0.024 0.000 0.630 30 N CA 1.269 54.309 53.050 -0.017 0.000 1.799 30 N CB -0.756 nan 38.487 nan 0.000 1.383 30 N HN 0.900 nan 8.380 nan 0.000 1.887 31 N N -0.344 118.342 118.700 -0.023 0.000 2.197 31 N HA 0.583 5.355 4.740 0.052 0.000 0.228 31 N C 0.404 175.898 175.510 -0.026 0.000 1.212 31 N CA 1.575 54.609 53.050 -0.026 0.000 0.883 31 N CB 0.682 nan 38.487 nan 0.000 1.107 31 N HN 1.430 nan 8.380 nan 0.000 0.519 32 Q N 0.222 120.010 119.800 -0.020 0.000 2.353 32 Q HA 0.751 5.122 4.340 0.052 0.000 0.268 32 Q C -0.593 175.396 176.000 -0.018 0.000 1.045 32 Q CA -0.675 55.114 55.803 -0.023 0.000 0.811 32 Q CB 0.630 nan 28.738 nan 0.000 1.305 32 Q HN 0.563 nan 8.270 nan 0.000 0.447 33 I N 2.623 123.177 120.570 -0.027 0.000 2.452 33 I HA 0.131 4.333 4.170 0.052 0.000 0.287 33 I C 1.661 177.766 176.117 -0.020 0.000 1.079 33 I CA 0.288 61.572 61.300 -0.026 0.000 1.387 33 I CB 1.646 39.617 38.000 -0.048 0.000 1.404 33 I HN 0.966 nan 8.210 nan 0.000 0.522 34 T N 1.299 115.848 114.554 -0.010 0.000 3.081 34 T HA 0.048 4.429 4.350 0.052 0.000 0.255 34 T C 0.638 175.331 174.700 -0.012 0.000 1.113 34 T CA 0.198 62.294 62.100 -0.008 0.000 1.082 34 T CB -0.070 68.799 68.868 0.001 0.000 0.939 34 T HN 0.534 nan 8.240 nan 0.000 0.506 35 N N 1.452 120.143 118.700 -0.016 0.000 2.537 35 N HA 0.191 4.963 4.740 0.052 0.000 0.281 35 N C -1.088 174.405 175.510 -0.029 0.000 1.097 35 N CA -0.448 52.590 53.050 -0.019 0.000 0.964 35 N CB 1.694 40.173 38.487 -0.013 0.000 1.588 35 N HN 0.248 nan 8.380 nan 0.000 0.511 36 N N 2.586 121.264 118.700 -0.037 0.000 2.238 36 N HA 0.025 4.796 4.740 0.052 0.000 0.222 36 N C 0.808 176.294 175.510 -0.041 0.000 1.133 36 N CA 0.081 53.097 53.050 -0.056 0.000 0.854 36 N CB 0.489 38.935 38.487 -0.068 0.000 1.041 36 N HN 0.460 nan 8.380 nan 0.000 0.510 37 Q N 1.345 121.132 119.800 -0.021 0.000 2.077 37 Q HA 0.019 4.390 4.340 0.052 0.000 0.206 37 Q C 1.802 177.813 176.000 0.017 0.000 0.989 37 Q CA 1.877 57.676 55.803 -0.006 0.000 0.853 37 Q CB -0.040 28.693 28.738 -0.009 0.000 0.907 37 Q HN 0.392 nan 8.270 nan 0.000 0.418 38 R N -0.520 119.999 120.500 0.031 0.000 2.152 38 R HA -0.070 4.301 4.340 0.052 0.000 0.232 38 R C 2.124 178.510 176.300 0.143 0.000 1.117 38 R CA 1.347 57.503 56.100 0.093 0.000 0.981 38 R CB -0.256 30.114 30.300 0.116 0.000 0.870 38 R HN 0.378 nan 8.270 nan 0.000 0.451 39 I N 0.620 121.195 120.570 0.009 0.000 2.406 39 I HA -0.211 3.991 4.170 0.052 0.000 0.249 39 I C 1.825 177.960 176.117 0.031 0.000 1.122 39 I CA 1.211 62.452 61.300 -0.098 0.000 1.431 39 I CB -0.280 37.516 38.000 -0.341 0.000 1.087 39 I HN 0.105 nan 8.210 nan 0.000 0.424 40 K N 1.517 121.926 120.400 0.016 0.000 2.097 40 K HA -0.058 4.294 4.320 0.052 0.000 0.205 40 K C 2.274 178.915 176.600 0.069 0.000 1.050 40 K CA 1.400 57.707 56.287 0.034 0.000 0.938 40 K CB -0.253 32.255 32.500 0.013 0.000 0.718 40 K HN 0.259 nan 8.250 nan 0.000 0.442 41 A N 1.567 124.436 122.820 0.080 0.000 2.019 41 A HA -0.079 4.272 4.320 0.052 0.000 0.219 41 A C 2.287 179.945 177.584 0.123 0.000 1.164 41 A CA 1.733 53.825 52.037 0.090 0.000 0.644 41 A CB -0.482 18.567 19.000 0.082 0.000 0.805 41 A HN 0.336 nan 8.150 nan 0.000 0.449 42 A N -0.331 122.587 122.820 0.164 0.000 2.072 42 A HA 0.155 4.507 4.320 0.052 0.000 0.216 42 A C 1.831 179.511 177.584 0.161 0.000 1.156 42 A CA 0.806 52.949 52.037 0.176 0.000 0.701 42 A CB -0.334 18.835 19.000 0.282 0.000 0.816 42 A HN 0.374 nan 8.150 nan 0.000 0.458 43 I N 0.627 121.288 120.570 0.151 0.000 2.194 43 I HA -0.191 4.010 4.170 0.052 0.000 0.246 43 I C -0.464 175.744 176.117 0.152 0.000 1.093 43 I CA 1.601 62.981 61.300 0.134 0.000 1.355 43 I CB -2.431 35.628 38.000 0.099 0.000 1.046 43 I HN 0.171 nan 8.210 nan 0.000 0.413 44 P HA -0.094 nan 4.420 nan 0.000 0.216 44 P C 2.067 179.586 177.300 0.366 0.000 1.150 44 P CA 1.477 64.726 63.100 0.248 0.000 0.837 44 P CB 0.029 31.863 31.700 0.223 0.000 0.786 45 S N -1.079 114.772 115.700 0.252 0.000 2.371 45 S HA -0.054 4.448 4.470 0.052 0.000 0.224 45 S C 1.843 176.494 174.600 0.086 0.000 1.029 45 S CA 0.893 59.120 58.200 0.045 0.000 0.978 45 S CB -0.932 62.205 63.200 -0.104 0.000 0.833 45 S HN 0.095 nan 8.310 nan 0.000 0.466 46 I N 1.140 121.774 120.570 0.106 0.000 2.252 46 I HA -0.177 4.024 4.170 0.052 0.000 0.245 46 I C 2.614 178.806 176.117 0.125 0.000 1.102 46 I CA 0.983 62.342 61.300 0.098 0.000 1.385 46 I CB -0.270 37.792 38.000 0.103 0.000 1.064 46 I HN 0.135 nan 8.210 nan 0.000 0.414 47 K N 0.529 121.022 120.400 0.155 0.000 2.097 47 K HA -0.185 4.167 4.320 0.052 0.000 0.205 47 K C 1.958 178.661 176.600 0.172 0.000 1.050 47 K CA 1.238 57.610 56.287 0.141 0.000 0.938 47 K CB -0.771 31.811 32.500 0.137 0.000 0.718 47 K HN 0.429 nan 8.250 nan 0.000 0.442 48 F N 0.308 120.326 119.950 0.113 0.000 2.134 48 F HA -0.214 4.347 4.527 0.056 0.000 0.299 48 F C 2.347 178.180 175.800 0.055 0.000 1.097 48 F CA 1.807 59.888 58.000 0.134 0.000 1.264 48 F CB -0.531 38.624 39.000 0.259 0.000 1.001 48 F HN 0.186 nan 8.300 nan 0.000 0.479 49 C N 0.595 120.016 119.300 0.202 0.000 2.462 49 C HA -0.130 4.362 4.460 0.052 0.000 0.278 49 C C 2.787 177.764 174.990 -0.022 0.000 1.253 49 C CA 1.000 60.061 59.018 0.072 0.000 1.713 49 C CB -1.381 26.409 27.740 0.082 0.000 2.049 49 C HN 0.512 nan 8.230 nan 0.000 0.477 50 L N 0.806 122.035 121.223 0.010 0.000 2.042 50 L HA -0.197 4.174 4.340 0.052 0.000 0.210 50 L C 2.097 178.943 176.870 -0.039 0.000 1.076 50 L CA 1.545 56.382 54.840 -0.004 0.000 0.749 50 L CB -0.709 41.362 42.059 0.021 0.000 0.893 50 L HN 0.377 nan 8.230 nan 0.000 0.432 51 D N -0.669 119.692 120.400 -0.065 0.000 2.277 51 D HA -0.089 4.583 4.640 0.052 0.000 0.208 51 D C 1.454 177.657 176.300 -0.162 0.000 0.962 51 D CA 0.749 54.692 54.000 -0.096 0.000 0.865 51 D CB -0.107 40.643 40.800 -0.082 0.000 0.939 51 D HN 0.306 nan 8.370 nan 0.000 0.510 52 N N -0.254 118.299 118.700 -0.245 0.000 2.268 52 N HA 0.098 4.870 4.740 0.052 0.000 0.204 52 N C 0.998 176.425 175.510 -0.138 0.000 1.124 52 N CA 0.441 53.333 53.050 -0.263 0.000 0.838 52 N CB 1.475 39.669 38.487 -0.488 0.000 0.994 52 N HN 0.173 nan 8.380 nan 0.000 0.489 53 G N 0.548 109.293 108.800 -0.091 0.000 2.176 53 G HA2 -0.271 3.721 3.960 0.052 0.000 0.232 53 G HA3 -0.271 3.721 3.960 0.052 0.000 0.232 53 G C 0.354 175.234 174.900 -0.033 0.000 0.986 53 G CA 0.014 45.082 45.100 -0.053 0.000 0.643 53 G HN 0.533 nan 8.290 nan 0.000 0.522 54 A N 0.396 123.197 122.820 -0.031 0.000 2.587 54 A HA 0.441 4.792 4.320 0.052 0.000 0.233 54 A C 1.476 179.056 177.584 -0.007 0.000 1.049 54 A CA 1.773 53.803 52.037 -0.012 0.000 0.754 54 A CB 0.204 19.203 19.000 -0.002 0.000 0.977 54 A HN 0.841 nan 8.150 nan 0.000 0.509 55 K N 0.717 121.115 120.400 -0.003 0.000 2.103 55 K HA -0.029 4.323 4.320 0.052 0.000 0.204 55 K C 0.533 177.134 176.600 0.002 0.000 1.052 55 K CA 1.518 57.804 56.287 -0.002 0.000 0.945 55 K CB -0.107 32.392 32.500 -0.001 0.000 0.722 55 K HN 1.019 nan 8.250 nan 0.000 0.443 56 S N -1.609 114.093 115.700 0.004 0.000 2.611 56 S HA 0.440 4.942 4.470 0.052 0.000 0.268 56 S C -1.274 173.332 174.600 0.009 0.000 1.156 56 S CA -1.126 57.079 58.200 0.008 0.000 0.817 56 S CB 2.163 65.366 63.200 0.006 0.000 1.122 56 S HN -0.145 nan 8.310 nan 0.000 0.466 57 V N 1.621 121.543 119.914 0.014 0.000 2.447 57 V HA 0.492 4.644 4.120 0.052 0.000 0.292 57 V C -0.860 175.242 176.094 0.013 0.000 1.021 57 V CA -0.580 61.727 62.300 0.012 0.000 0.850 57 V CB 1.551 33.387 31.823 0.022 0.000 1.005 57 V HN 0.836 nan 8.190 nan 0.000 0.426 58 V N 6.793 126.708 119.914 0.000 0.000 2.364 58 V HA 0.441 4.592 4.120 0.052 0.000 0.272 58 V C -0.030 176.056 176.094 -0.012 0.000 1.036 58 V CA -0.372 61.927 62.300 -0.002 0.000 0.880 58 V CB 1.291 33.108 31.823 -0.010 0.000 0.991 58 V HN 0.623 nan 8.190 nan 0.000 0.460 59 L N 6.875 128.100 121.223 0.002 0.000 2.289 59 L HA 0.700 5.072 4.340 0.052 0.000 0.285 59 L C -0.031 176.819 176.870 -0.033 0.000 1.049 59 L CA -0.287 54.534 54.840 -0.032 0.000 0.804 59 L CB 1.244 43.314 42.059 0.019 0.000 1.195 59 L HN 0.697 nan 8.230 nan 0.000 0.428 60 M N 1.988 121.542 119.600 -0.077 0.000 2.393 60 M HA 0.804 5.315 4.480 0.052 0.000 0.299 60 M C -0.849 175.406 176.300 -0.075 0.000 1.103 60 M CA -0.282 54.995 55.300 -0.038 0.000 0.910 60 M CB 2.303 34.903 32.600 -0.001 0.000 1.659 60 M HN 0.491 nan 8.290 nan 0.000 0.445 61 S N 0.704 116.389 115.700 -0.026 0.000 2.752 61 S HA 0.674 5.176 4.470 0.052 0.000 0.284 61 S C -1.806 172.841 174.600 0.079 0.000 1.189 61 S CA -0.674 57.508 58.200 -0.029 0.000 0.835 61 S CB 1.720 64.823 63.200 -0.162 0.000 1.192 61 S HN 1.059 nan 8.310 nan 0.000 0.506 62 H N 0.559 119.651 119.070 0.038 0.000 2.834 62 H HA 0.863 5.452 4.556 0.055 0.000 0.369 62 H C -1.795 173.567 175.328 0.057 0.000 1.174 62 H CA -0.932 55.135 56.048 0.032 0.000 1.165 62 H CB 1.431 31.217 29.762 0.040 0.000 1.820 62 H HN 0.534 nan 8.280 nan 0.000 0.558 63 L N 1.346 122.629 121.223 0.100 0.000 2.505 63 L HA 0.490 4.861 4.340 0.052 0.000 0.266 63 L C 0.614 177.521 176.870 0.063 0.000 0.954 63 L CA 1.158 56.040 54.840 0.069 0.000 0.852 63 L CB 1.518 43.646 42.059 0.116 0.000 1.282 63 L HN 1.238 nan 8.230 nan 0.000 0.403 64 G N 2.837 111.642 108.800 0.010 0.000 2.566 64 G HA2 0.088 4.080 3.960 0.052 0.000 0.280 64 G HA3 0.088 4.080 3.960 0.052 0.000 0.280 64 G C -0.021 174.673 174.900 -0.343 0.000 1.225 64 G CA 0.896 45.835 45.100 -0.268 0.000 0.966 64 G HN 1.638 nan 8.290 nan 0.000 0.560 65 R N 0.325 120.384 120.500 -0.735 0.000 2.674 65 R HA 0.722 5.094 4.340 0.052 0.000 0.270 65 R C -0.978 175.142 176.300 -0.301 0.000 1.492 65 R CA 0.329 56.214 56.100 -0.359 0.000 1.624 65 R CB 0.457 30.645 30.300 -0.186 0.000 1.307 65 R HN 0.649 nan 8.270 nan 0.000 0.683 66 P HA -0.091 nan 4.420 nan 0.000 0.222 66 P C -0.614 176.712 177.300 0.043 0.000 1.147 66 P CA 0.974 64.130 63.100 0.093 0.000 0.790 66 P CB 0.321 32.231 31.700 0.351 0.000 0.780 67 D N -1.831 118.565 120.400 -0.007 0.000 2.907 67 D HA -0.128 4.544 4.640 0.052 0.000 0.226 67 D C 1.066 177.348 176.300 -0.030 0.000 1.141 67 D CA 1.597 55.579 54.000 -0.029 0.000 0.779 67 D CB -1.896 38.891 40.800 -0.022 0.000 1.095 67 D HN 0.411 nan 8.370 nan 0.000 0.430 68 G N -1.186 107.609 108.800 -0.008 0.000 2.132 68 G HA2 -0.249 3.743 3.960 0.052 0.000 0.234 68 G HA3 -0.249 3.743 3.960 0.052 0.000 0.234 68 G C 0.102 174.978 174.900 -0.040 0.000 0.989 68 G CA 0.252 45.335 45.100 -0.029 0.000 0.676 68 G HN 0.441 nan 8.290 nan 0.000 0.522 69 I N 0.374 120.923 120.570 -0.035 0.000 2.582 69 I HA 0.392 4.594 4.170 0.052 0.000 0.292 69 I C -2.440 173.534 176.117 -0.239 0.000 1.066 69 I CA -2.898 58.337 61.300 -0.109 0.000 1.053 69 I CB 2.010 39.958 38.000 -0.087 0.000 1.241 69 I HN -0.212 nan 8.210 nan 0.000 0.421 70 P HA 0.321 nan 4.420 nan 0.000 0.271 70 P C -0.520 176.290 177.300 -0.817 0.000 1.226 70 P CA -0.031 62.515 63.100 -0.924 0.000 0.765 70 P CB 0.378 31.768 31.700 -0.516 0.000 0.835 71 M N 5.088 123.964 119.600 -1.207 0.000 2.850 71 M HA 0.207 4.718 4.480 0.052 0.000 0.288 71 M C -2.053 174.126 176.300 -0.202 0.000 1.450 71 M CA -1.329 53.714 55.300 -0.429 0.000 0.555 71 M CB 2.061 34.618 32.600 -0.071 0.000 1.507 71 M HN 0.134 nan 8.290 nan 0.000 0.415 72 P HA -0.100 nan 4.420 nan 0.000 0.225 72 P C 0.025 177.391 177.300 0.111 0.000 1.148 72 P CA 1.323 64.548 63.100 0.208 0.000 0.779 72 P CB 0.006 31.827 31.700 0.203 0.000 0.780 73 D N -1.151 119.250 120.400 0.003 0.000 2.323 73 D HA -0.001 4.671 4.640 0.052 0.000 0.209 73 D C 1.957 178.204 176.300 -0.087 0.000 0.973 73 D CA 1.198 55.180 54.000 -0.030 0.000 0.874 73 D CB -0.405 40.365 40.800 -0.049 0.000 0.930 73 D HN 0.211 nan 8.370 nan 0.000 0.521 74 K N 0.249 120.554 120.400 -0.157 0.000 2.362 74 K HA 0.223 4.575 4.320 0.052 0.000 0.203 74 K C 0.681 177.024 176.600 -0.428 0.000 1.198 74 K CA 0.094 56.133 56.287 -0.413 0.000 0.908 74 K CB -0.554 31.496 32.500 -0.751 0.000 1.236 74 K HN 0.297 nan 8.250 nan 0.000 0.487 75 Y N 1.437 121.857 120.300 0.199 0.000 2.722 75 Y HA 0.427 5.008 4.550 0.052 0.000 0.314 75 Y C 0.653 176.740 175.900 0.311 0.000 1.008 75 Y CA -0.735 57.513 58.100 0.247 0.000 1.294 75 Y CB 0.942 39.578 38.460 0.293 0.000 1.231 75 Y HN 0.176 nan 8.280 nan 0.000 0.558 76 S N 0.414 116.327 115.700 0.355 0.000 2.610 76 S HA 0.351 4.853 4.470 0.052 0.000 0.273 76 S C 0.605 175.291 174.600 0.143 0.000 1.274 76 S CA -0.470 57.915 58.200 0.308 0.000 1.023 76 S CB 0.757 64.121 63.200 0.273 0.000 0.962 76 S HN 0.598 nan 8.310 nan 0.000 0.523 77 L N 3.289 124.593 121.223 0.135 0.000 2.653 77 L HA 0.278 4.649 4.340 0.052 0.000 0.231 77 L C 2.180 178.886 176.870 -0.274 0.000 1.153 77 L CA 0.084 54.961 54.840 0.062 0.000 0.933 77 L CB -0.270 41.934 42.059 0.240 0.000 1.175 77 L HN 0.801 nan 8.230 nan 0.000 0.473 78 E N 1.404 121.283 120.200 -0.536 0.000 2.058 78 E HA -0.204 4.177 4.350 0.052 0.000 0.194 78 E C -0.603 175.712 176.600 -0.476 0.000 0.997 78 E CA 1.292 57.113 56.400 -0.965 0.000 0.801 78 E CB -0.373 28.971 29.700 -0.593 0.000 0.746 78 E HN 0.338 nan 8.360 nan 0.000 0.450 79 P HA -0.132 nan 4.420 nan 0.000 0.218 79 P C 1.376 178.574 177.300 -0.169 0.000 1.148 79 P CA 0.890 63.891 63.100 -0.166 0.000 0.822 79 P CB 0.058 31.698 31.700 -0.101 0.000 0.784 80 V N 0.040 119.846 119.914 -0.179 0.000 2.548 80 V HA -0.182 3.969 4.120 0.052 0.000 0.249 80 V C 2.468 178.449 176.094 -0.190 0.000 1.055 80 V CA 1.940 64.119 62.300 -0.203 0.000 1.065 80 V CB -1.664 30.044 31.823 -0.191 0.000 0.681 80 V HN 0.101 nan 8.190 nan 0.000 0.462 81 A N -0.121 122.598 122.820 -0.168 0.000 1.972 81 A HA -0.132 4.220 4.320 0.052 0.000 0.219 81 A C 2.369 179.905 177.584 -0.080 0.000 1.169 81 A CA 1.924 53.914 52.037 -0.079 0.000 0.635 81 A CB -0.510 18.440 19.000 -0.083 0.000 0.810 81 A HN 0.350 nan 8.150 nan 0.000 0.446 82 V N -0.188 119.655 119.914 -0.118 0.000 2.323 82 V HA -0.202 3.949 4.120 0.052 0.000 0.244 82 V C 2.541 178.588 176.094 -0.078 0.000 1.041 82 V CA 2.278 64.527 62.300 -0.084 0.000 1.025 82 V CB -0.630 31.139 31.823 -0.091 0.000 0.656 82 V HN 0.717 nan 8.190 nan 0.000 0.451 83 E N 0.147 120.284 120.200 -0.106 0.000 2.150 83 E HA -0.204 4.178 4.350 0.052 0.000 0.193 83 E C 1.897 178.433 176.600 -0.106 0.000 0.985 83 E CA 0.952 57.288 56.400 -0.106 0.000 0.814 83 E CB -0.284 29.333 29.700 -0.137 0.000 0.752 83 E HN 0.377 nan 8.360 nan 0.000 0.466 84 L N 1.083 122.233 121.223 -0.121 0.000 2.027 84 L HA -0.084 4.287 4.340 0.052 0.000 0.206 84 L C 2.213 179.067 176.870 -0.028 0.000 1.074 84 L CA 2.068 56.855 54.840 -0.087 0.000 0.745 84 L CB -0.718 41.303 42.059 -0.063 0.000 0.898 84 L HN 0.100 nan 8.230 nan 0.000 0.433 85 K N -1.208 119.181 120.400 -0.018 0.000 2.063 85 K HA -0.151 4.200 4.320 0.052 0.000 0.208 85 K C 1.997 178.594 176.600 -0.005 0.000 1.048 85 K CA 1.749 58.036 56.287 -0.001 0.000 0.928 85 K CB -0.095 32.406 32.500 0.001 0.000 0.713 85 K HN 0.332 nan 8.250 nan 0.000 0.442 86 S N 0.804 116.493 115.700 -0.018 0.000 2.402 86 S HA -0.038 4.463 4.470 0.052 0.000 0.229 86 S C 1.777 176.370 174.600 -0.012 0.000 1.021 86 S CA 0.970 59.160 58.200 -0.016 0.000 0.974 86 S CB -0.116 63.070 63.200 -0.024 0.000 0.800 86 S HN 0.249 nan 8.310 nan 0.000 0.484 87 L N 0.450 121.662 121.223 -0.017 0.000 2.131 87 L HA 0.122 4.494 4.340 0.052 0.000 0.206 87 L C 2.080 178.956 176.870 0.009 0.000 1.087 87 L CA 0.870 55.704 54.840 -0.009 0.000 0.767 87 L CB -0.222 41.825 42.059 -0.021 0.000 0.917 87 L HN 0.255 nan 8.230 nan 0.000 0.441 88 L N -0.561 120.671 121.223 0.015 0.000 2.446 88 L HA 0.115 4.487 4.340 0.052 0.000 0.219 88 L C 1.295 178.179 176.870 0.024 0.000 1.116 88 L CA 0.541 55.399 54.840 0.029 0.000 0.844 88 L CB -0.193 41.891 42.059 0.041 0.000 0.970 88 L HN 0.496 nan 8.230 nan 0.000 0.457 89 G N 1.291 110.100 108.800 0.016 0.000 2.225 89 G HA2 -0.339 3.653 3.960 0.052 0.000 0.267 89 G HA3 -0.339 3.653 3.960 0.052 0.000 0.267 89 G C 0.079 174.989 174.900 0.017 0.000 1.024 89 G CA 0.858 45.966 45.100 0.013 0.000 0.784 89 G HN 0.390 nan 8.290 nan 0.000 0.507 90 K N -0.577 119.835 120.400 0.021 0.000 2.480 90 K HA 0.508 4.860 4.320 0.052 0.000 0.258 90 K C -0.952 175.664 176.600 0.027 0.000 0.990 90 K CA -0.908 55.394 56.287 0.024 0.000 0.857 90 K CB 1.292 33.810 32.500 0.029 0.000 1.384 90 K HN 0.039 nan 8.250 nan 0.000 0.446 91 D N 0.725 121.142 120.400 0.028 0.000 2.345 91 D HA 0.242 4.913 4.640 0.052 0.000 0.247 91 D C -1.041 175.286 176.300 0.046 0.000 1.108 91 D CA -0.067 53.953 54.000 0.033 0.000 0.894 91 D CB 1.231 42.049 40.800 0.030 0.000 1.203 91 D HN 0.020 nan 8.370 nan 0.000 0.430 92 V N 2.845 122.793 119.914 0.057 0.000 2.407 92 V HA 0.228 4.380 4.120 0.052 0.000 0.291 92 V C -0.555 175.603 176.094 0.107 0.000 1.018 92 V CA -1.000 61.349 62.300 0.082 0.000 0.842 92 V CB 1.407 33.285 31.823 0.092 0.000 0.996 92 V HN 0.395 nan 8.190 nan 0.000 0.426 93 L N 5.818 127.102 121.223 0.101 0.000 2.313 93 L HA 0.559 4.931 4.340 0.052 0.000 0.282 93 L C -0.796 176.168 176.870 0.157 0.000 1.092 93 L CA 0.382 55.287 54.840 0.107 0.000 0.831 93 L CB 0.445 42.539 42.059 0.060 0.000 1.159 93 L HN 0.571 nan 8.230 nan 0.000 0.442 94 F N 6.099 126.070 119.950 0.035 0.000 2.415 94 F HA 0.608 5.165 4.527 0.050 0.000 0.348 94 F C -1.048 174.778 175.800 0.043 0.000 1.119 94 F CA -0.722 57.303 58.000 0.042 0.000 1.069 94 F CB 0.917 39.942 39.000 0.042 0.000 1.124 94 F HN 0.397 nan 8.300 nan 0.000 0.472 95 L N 6.724 127.499 121.223 -0.747 0.000 2.309 95 L HA 0.442 4.814 4.340 0.052 0.000 0.282 95 L C 1.148 177.523 176.870 -0.824 0.000 1.036 95 L CA -0.641 53.865 54.840 -0.556 0.000 0.806 95 L CB 1.422 43.310 42.059 -0.285 0.000 1.220 95 L HN 0.769 nan 8.230 nan 0.000 0.429 96 K N 0.826 121.007 120.400 -0.364 0.000 2.555 96 K HA -0.019 4.332 4.320 0.052 0.000 0.193 96 K C 0.237 176.823 176.600 -0.023 0.000 1.032 96 K CA 1.098 57.306 56.287 -0.131 0.000 1.004 96 K CB -0.439 32.089 32.500 0.046 0.000 0.804 96 K HN 0.713 nan 8.250 nan 0.000 0.496 97 D N -2.792 117.565 120.400 -0.072 0.000 2.626 97 D HA 0.327 4.999 4.640 0.052 0.000 0.278 97 D C 0.327 176.616 176.300 -0.019 0.000 1.211 97 D CA 0.017 54.051 54.000 0.057 0.000 0.903 97 D CB 1.735 42.605 40.800 0.118 0.000 1.408 97 D HN 0.115 nan 8.370 nan 0.000 0.454 98 C N -0.019 119.301 119.300 0.033 0.000 3.392 98 C HA 0.662 5.153 4.460 0.052 0.000 0.301 98 C C 0.430 175.317 174.990 -0.173 0.000 1.354 98 C CA 0.004 58.983 59.018 -0.066 0.000 1.732 98 C CB -0.984 26.744 27.740 -0.021 0.000 2.269 98 C HN 0.359 nan 8.230 nan 0.000 0.673 99 V N -2.076 117.737 119.914 -0.167 0.000 3.181 99 V HA 1.028 5.179 4.120 0.052 0.000 0.308 99 V C -0.144 175.892 176.094 -0.097 0.000 1.214 99 V CA 0.072 62.229 62.300 -0.238 0.000 1.053 99 V CB 0.842 32.386 31.823 -0.466 0.000 1.069 99 V HN 1.709 nan 8.190 nan 0.000 0.441 100 G N 1.269 110.016 108.800 -0.089 0.000 2.406 100 G HA2 0.178 4.170 3.960 0.052 0.000 0.680 100 G HA3 0.178 4.170 3.960 0.052 0.000 0.680 100 G C -2.635 172.245 174.900 -0.034 0.000 1.338 100 G CA -0.020 45.062 45.100 -0.030 0.000 0.941 100 G HN 0.716 nan 8.290 nan 0.000 0.633 101 P HA 0.015 nan 4.420 nan 0.000 0.217 101 P C 1.430 178.719 177.300 -0.017 0.000 1.150 101 P CA 1.611 64.700 63.100 -0.018 0.000 0.832 101 P CB 0.168 31.863 31.700 -0.007 0.000 0.787 102 E N -0.846 119.347 120.200 -0.012 0.000 2.208 102 E HA -0.070 4.311 4.350 0.052 0.000 0.193 102 E C 1.844 178.429 176.600 -0.023 0.000 0.988 102 E CA 0.676 57.069 56.400 -0.012 0.000 0.828 102 E CB -0.291 29.407 29.700 -0.003 0.000 0.763 102 E HN 0.061 nan 8.360 nan 0.000 0.478 103 V N 1.079 120.972 119.914 -0.034 0.000 2.446 103 V HA -0.163 3.989 4.120 0.052 0.000 0.244 103 V C 1.912 177.975 176.094 -0.051 0.000 1.039 103 V CA 1.428 63.697 62.300 -0.051 0.000 1.045 103 V CB -0.199 31.583 31.823 -0.069 0.000 0.681 103 V HN 0.182 nan 8.190 nan 0.000 0.459 104 E N 0.463 120.632 120.200 -0.052 0.000 2.153 104 E HA -0.220 4.162 4.350 0.052 0.000 0.194 104 E C 2.444 179.023 176.600 -0.034 0.000 0.988 104 E CA 1.650 58.020 56.400 -0.049 0.000 0.811 104 E CB -0.169 29.501 29.700 -0.050 0.000 0.746 104 E HN 0.673 nan 8.360 nan 0.000 0.466 105 K N 0.809 121.193 120.400 -0.027 0.000 2.062 105 K HA 0.099 4.451 4.320 0.052 0.000 0.205 105 K C 2.076 178.665 176.600 -0.017 0.000 1.051 105 K CA 1.191 57.467 56.287 -0.019 0.000 0.941 105 K CB -0.892 31.600 32.500 -0.014 0.000 0.719 105 K HN 0.192 nan 8.250 nan 0.000 0.440 106 A N -0.302 122.506 122.820 -0.020 0.000 2.121 106 A HA 0.030 4.382 4.320 0.052 0.000 0.218 106 A C 2.232 179.805 177.584 -0.018 0.000 1.154 106 A CA 1.493 53.519 52.037 -0.018 0.000 0.679 106 A CB -0.685 18.302 19.000 -0.022 0.000 0.795 106 A HN 0.620 nan 8.150 nan 0.000 0.458 107 C N -2.027 117.259 119.300 -0.023 0.000 3.070 107 C HA 0.479 4.971 4.460 0.052 0.000 0.280 107 C C 2.878 177.857 174.990 -0.018 0.000 1.264 107 C CA -0.297 58.708 59.018 -0.022 0.000 1.690 107 C CB -0.721 27.000 27.740 -0.032 0.000 2.049 107 C HN 0.717 nan 8.230 nan 0.000 0.636 108 A N 0.741 123.550 122.820 -0.018 0.000 1.851 108 A HA -0.154 4.197 4.320 0.052 0.000 0.216 108 A C 1.060 178.638 177.584 -0.010 0.000 1.195 108 A CA 2.414 54.442 52.037 -0.015 0.000 0.622 108 A CB -0.233 18.759 19.000 -0.014 0.000 0.831 108 A HN 0.521 nan 8.150 nan 0.000 0.444 109 D N -1.176 119.219 120.400 -0.008 0.000 2.714 109 D HA 0.389 5.061 4.640 0.052 0.000 0.264 109 D C -2.884 173.415 176.300 -0.003 0.000 1.231 109 D CA -1.559 52.438 54.000 -0.005 0.000 0.802 109 D CB 0.453 41.251 40.800 -0.004 0.000 1.319 109 D HN 0.101 nan 8.370 nan 0.000 0.528 110 P HA 0.383 nan 4.420 nan 0.000 0.272 110 P C -0.508 176.794 177.300 0.003 0.000 1.240 110 P CA -0.613 62.487 63.100 0.001 0.000 0.791 110 P CB 0.608 32.309 31.700 0.002 0.000 0.978 111 A N 1.488 124.311 122.820 0.005 0.000 2.524 111 A HA 0.435 4.786 4.320 0.052 0.000 0.250 111 A C 0.719 178.307 177.584 0.006 0.000 1.078 111 A CA 0.003 52.043 52.037 0.006 0.000 0.761 111 A CB -0.856 18.149 19.000 0.008 0.000 1.012 111 A HN 0.691 nan 8.150 nan 0.000 0.500 112 A N 2.242 125.064 122.820 0.003 0.000 2.609 112 A HA 0.425 4.776 4.320 0.052 0.000 0.232 112 A C 1.686 179.273 177.584 0.005 0.000 1.041 112 A CA 0.939 52.977 52.037 0.002 0.000 0.753 112 A CB -0.657 18.343 19.000 -0.000 0.000 0.966 112 A HN 2.813 nan 8.150 nan 0.000 0.510 113 G N 1.677 110.479 108.800 0.004 0.000 2.198 113 G HA2 -0.171 3.820 3.960 0.052 0.000 0.260 113 G HA3 -0.171 3.820 3.960 0.052 0.000 0.260 113 G C 0.350 175.259 174.900 0.015 0.000 1.025 113 G CA 0.473 45.578 45.100 0.007 0.000 0.769 113 G HN 1.181 nan 8.290 nan 0.000 0.507 114 S N -1.072 114.637 115.700 0.015 0.000 2.562 114 S HA 0.572 5.074 4.470 0.052 0.000 0.275 114 S C 0.395 175.012 174.600 0.028 0.000 1.281 114 S CA -0.426 57.787 58.200 0.021 0.000 1.045 114 S CB 2.046 65.257 63.200 0.018 0.000 0.962 114 S HN 0.592 nan 8.310 nan 0.000 0.503 115 V N 5.260 125.198 119.914 0.039 0.000 2.334 115 V HA 0.437 4.589 4.120 0.052 0.000 0.281 115 V C -0.378 175.754 176.094 0.063 0.000 1.016 115 V CA -0.397 61.935 62.300 0.053 0.000 0.832 115 V CB 0.664 32.526 31.823 0.065 0.000 0.999 115 V HN 0.726 nan 8.190 nan 0.000 0.439 116 I N 5.786 126.389 120.570 0.055 0.000 2.404 116 I HA 0.452 4.654 4.170 0.052 0.000 0.293 116 I C -0.788 175.375 176.117 0.075 0.000 0.992 116 I CA -0.799 60.533 61.300 0.055 0.000 1.149 116 I CB 1.965 39.976 38.000 0.019 0.000 1.315 116 I HN 0.380 nan 8.210 nan 0.000 0.446 117 L N 7.863 129.157 121.223 0.118 0.000 2.298 117 L HA 0.528 4.900 4.340 0.052 0.000 0.284 117 L C -0.695 176.214 176.870 0.065 0.000 1.013 117 L CA -0.181 54.764 54.840 0.176 0.000 0.824 117 L CB 0.969 43.234 42.059 0.343 0.000 1.221 117 L HN 0.439 nan 8.230 nan 0.000 0.418 118 L N 2.477 123.705 121.223 0.009 0.000 2.439 118 L HA 0.402 4.774 4.340 0.052 0.000 0.261 118 L C 0.489 177.317 176.870 -0.070 0.000 1.153 118 L CA -0.683 54.096 54.840 -0.102 0.000 0.808 118 L CB 0.822 42.842 42.059 -0.065 0.000 1.126 118 L HN 0.596 nan 8.230 nan 0.000 0.460 119 E N 1.468 121.562 120.200 -0.176 0.000 2.392 119 E HA -0.014 4.367 4.350 0.052 0.000 0.259 119 E C -0.071 176.461 176.600 -0.115 0.000 1.108 119 E CA -0.337 56.018 56.400 -0.074 0.000 0.916 119 E CB 0.419 30.075 29.700 -0.074 0.000 0.989 119 E HN 0.357 nan 8.360 nan 0.000 0.432 120 N N 2.915 121.416 118.700 -0.332 0.000 2.142 120 N HA -0.154 4.617 4.740 0.052 0.000 0.282 120 N C 0.761 176.129 175.510 -0.237 0.000 1.342 120 N CA 0.427 53.208 53.050 -0.449 0.000 0.831 120 N CB 0.207 38.047 38.487 -1.079 0.000 1.083 120 N HN 0.568 nan 8.380 nan 0.000 0.492 121 L N 3.894 125.128 121.223 0.018 0.000 2.131 121 L HA -0.106 4.265 4.340 0.052 0.000 0.210 121 L C 1.995 178.977 176.870 0.187 0.000 1.092 121 L CA 1.055 56.001 54.840 0.177 0.000 0.759 121 L CB -0.056 42.117 42.059 0.190 0.000 0.903 121 L HN 0.489 nan 8.230 nan 0.000 0.435 122 R N -1.041 119.527 120.500 0.114 0.000 2.328 122 R HA -0.032 4.340 4.340 0.052 0.000 0.200 122 R C 1.399 177.851 176.300 0.254 0.000 0.983 122 R CA 0.116 56.280 56.100 0.107 0.000 1.062 122 R CB -0.007 30.325 30.300 0.053 0.000 0.956 122 R HN 0.211 nan 8.270 nan 0.000 0.479 123 F N 0.152 120.156 119.950 0.089 0.000 2.558 123 F HA 0.014 4.574 4.527 0.056 0.000 0.298 123 F C 0.999 176.693 175.800 -0.177 0.000 1.119 123 F CA 0.281 58.269 58.000 -0.018 0.000 1.451 123 F CB -0.210 38.781 39.000 -0.014 0.000 1.091 123 F HN 0.003 nan 8.300 nan 0.000 0.563 124 H N -0.915 118.232 119.070 0.127 0.000 2.459 124 H HA 0.177 4.764 4.556 0.052 0.000 0.332 124 H C 1.025 176.221 175.328 -0.221 0.000 1.094 124 H CA -0.300 55.704 56.048 -0.073 0.000 1.224 124 H CB 2.809 32.459 29.762 -0.188 0.000 1.449 124 H HN -0.199 nan 8.280 nan 0.000 0.484 125 V N 3.650 123.502 119.914 -0.102 0.000 2.720 125 V HA -0.202 3.949 4.120 0.052 0.000 0.256 125 V C 1.203 177.148 176.094 -0.249 0.000 1.082 125 V CA 1.817 64.027 62.300 -0.150 0.000 1.101 125 V CB -0.238 31.522 31.823 -0.105 0.000 0.693 125 V HN 0.648 nan 8.190 nan 0.000 0.479 126 E N 0.012 119.976 120.200 -0.393 0.000 2.347 126 E HA -0.177 4.205 4.350 0.052 0.000 0.196 126 E C 1.911 178.168 176.600 -0.572 0.000 1.008 126 E CA 1.009 57.100 56.400 -0.514 0.000 0.852 126 E CB -0.088 29.203 29.700 -0.681 0.000 0.783 126 E HN 0.787 nan 8.360 nan 0.000 0.505 127 E N 1.369 121.211 120.200 -0.598 0.000 2.028 127 E HA -0.149 4.233 4.350 0.052 0.000 0.190 127 E C 1.421 177.817 176.600 -0.340 0.000 0.984 127 E CA 1.423 57.632 56.400 -0.319 0.000 0.800 127 E CB -0.005 29.596 29.700 -0.165 0.000 0.758 127 E HN 0.261 nan 8.360 nan 0.000 0.448 128 E N -1.242 118.679 120.200 -0.464 0.000 2.385 128 E HA 0.115 4.497 4.350 0.052 0.000 0.194 128 E C 0.934 177.316 176.600 -0.364 0.000 1.013 128 E CA 0.427 56.396 56.400 -0.718 0.000 0.866 128 E CB 0.279 29.619 29.700 -0.601 0.000 0.832 128 E HN 0.495 nan 8.360 nan 0.000 0.500 129 G N 1.577 110.228 108.800 -0.248 0.000 2.199 129 G HA2 -0.314 3.678 3.960 0.052 0.000 0.254 129 G HA3 -0.314 3.678 3.960 0.052 0.000 0.254 129 G C 0.263 175.087 174.900 -0.127 0.000 0.982 129 G CA 0.806 45.814 45.100 -0.152 0.000 0.632 129 G HN 0.319 nan 8.290 nan 0.000 0.529 130 K N -1.437 118.874 120.400 -0.147 0.000 2.575 130 K HA 0.927 5.279 4.320 0.052 0.000 0.279 130 K C 0.045 176.577 176.600 -0.113 0.000 0.969 130 K CA 0.434 56.656 56.287 -0.108 0.000 0.868 130 K CB 1.399 33.849 32.500 -0.084 0.000 1.457 130 K HN 2.047 nan 8.250 nan 0.000 0.426 131 G N 0.273 109.023 108.800 -0.083 0.000 2.578 131 G HA2 0.577 4.569 3.960 0.052 0.000 0.302 131 G HA3 0.577 4.569 3.960 0.052 0.000 0.302 131 G C -1.717 173.152 174.900 -0.051 0.000 1.243 131 G CA -0.872 44.185 45.100 -0.072 0.000 0.843 131 G HN 0.731 nan 8.290 nan 0.000 0.486 132 K N 0.577 120.952 120.400 -0.041 0.000 2.513 132 K HA 0.430 4.782 4.320 0.052 0.000 0.251 132 K C -1.312 175.271 176.600 -0.029 0.000 0.939 132 K CA -0.735 55.533 56.287 -0.031 0.000 0.793 132 K CB 2.314 34.800 32.500 -0.022 0.000 1.241 132 K HN 0.759 nan 8.250 nan 0.000 0.431 133 D N 1.196 121.580 120.400 -0.027 0.000 2.383 133 D HA 0.176 4.847 4.640 0.052 0.000 0.248 133 D C 0.947 177.234 176.300 -0.022 0.000 1.170 133 D CA -0.456 53.528 54.000 -0.028 0.000 0.977 133 D CB 0.805 41.589 40.800 -0.026 0.000 1.120 133 D HN 0.408 nan 8.370 nan 0.000 0.481 134 A N 0.340 123.146 122.820 -0.025 0.000 2.024 134 A HA -0.186 4.165 4.320 0.052 0.000 0.220 134 A C 2.119 179.694 177.584 -0.015 0.000 1.164 134 A CA 1.777 53.801 52.037 -0.021 0.000 0.643 134 A CB -0.948 nan 19.000 nan 0.000 0.806 134 A HN 0.485 nan 8.150 nan 0.000 0.451 135 S N -2.202 113.489 115.700 -0.015 0.000 2.522 135 S HA 0.270 4.771 4.470 0.052 0.000 0.227 135 S C 1.486 176.080 174.600 -0.009 0.000 0.986 135 S CA 1.377 59.570 58.200 -0.012 0.000 0.929 135 S CB -0.260 62.933 63.200 -0.012 0.000 0.769 135 S HN 1.697 nan 8.310 nan 0.000 0.529 136 G N 0.238 109.032 108.800 -0.010 0.000 2.175 136 G HA2 -0.220 3.772 3.960 0.052 0.000 0.244 136 G HA3 -0.220 3.772 3.960 0.052 0.000 0.244 136 G C 0.263 175.156 174.900 -0.010 0.000 0.982 136 G CA 0.328 45.424 45.100 -0.008 0.000 0.641 136 G HN 0.527 nan 8.290 nan 0.000 0.527 137 S N 0.665 116.358 115.700 -0.013 0.000 2.589 137 S HA 0.588 5.089 4.470 0.052 0.000 0.265 137 S C 0.649 175.238 174.600 -0.018 0.000 1.342 137 S CA 0.619 58.811 58.200 -0.015 0.000 1.005 137 S CB 1.085 64.276 63.200 -0.015 0.000 0.909 137 S HN 1.270 nan 8.310 nan 0.000 0.555 138 K N 1.135 121.523 120.400 -0.019 0.000 2.211 138 K HA 0.625 4.976 4.320 0.052 0.000 0.275 138 K C -0.466 176.118 176.600 -0.027 0.000 1.024 138 K CA -0.822 55.450 56.287 -0.024 0.000 0.887 138 K CB 0.379 32.865 32.500 -0.023 0.000 1.084 138 K HN 0.703 nan 8.250 nan 0.000 0.463 139 V N -1.490 118.404 119.914 -0.033 0.000 2.628 139 V HA 0.792 4.943 4.120 0.052 0.000 0.306 139 V C -0.214 175.855 176.094 -0.042 0.000 1.045 139 V CA -1.302 60.977 62.300 -0.035 0.000 0.905 139 V CB 1.768 33.570 31.823 -0.035 0.000 0.997 139 V HN 0.515 nan 8.190 nan 0.000 0.436 140 K N 1.861 122.238 120.400 -0.039 0.000 2.164 140 K HA 0.840 5.192 4.320 0.052 0.000 0.258 140 K C 0.341 176.913 176.600 -0.047 0.000 0.951 140 K CA 0.089 56.350 56.287 -0.045 0.000 0.844 140 K CB 1.706 34.184 32.500 -0.036 0.000 1.099 140 K HN 1.530 nan 8.250 nan 0.000 0.435 141 A N 1.716 124.500 122.820 -0.060 0.000 2.466 141 A HA 0.185 4.536 4.320 0.052 0.000 0.238 141 A C 0.070 177.629 177.584 -0.042 0.000 1.074 141 A CA 0.066 52.066 52.037 -0.062 0.000 0.774 141 A CB -0.005 18.942 19.000 -0.089 0.000 1.015 141 A HN 0.854 nan 8.150 nan 0.000 0.498 142 D N 1.476 121.857 120.400 -0.032 0.000 2.277 142 D HA 0.405 5.077 4.640 0.052 0.000 0.249 142 D C -1.759 174.532 176.300 -0.014 0.000 1.134 142 D CA -1.695 52.294 54.000 -0.018 0.000 0.863 142 D CB 1.132 41.927 40.800 -0.009 0.000 1.143 142 D HN 0.105 nan 8.370 nan 0.000 0.458 143 P HA -0.163 nan 4.420 nan 0.000 0.216 143 P C 0.862 178.164 177.300 0.004 0.000 1.150 143 P CA 1.467 64.563 63.100 -0.006 0.000 0.843 143 P CB 0.126 31.823 31.700 -0.007 0.000 0.787 144 A N -0.490 122.333 122.820 0.006 0.000 1.930 144 A HA -0.174 4.178 4.320 0.052 0.000 0.217 144 A C 2.089 179.688 177.584 0.025 0.000 1.175 144 A CA 1.494 53.538 52.037 0.012 0.000 0.627 144 A CB -0.806 18.200 19.000 0.010 0.000 0.815 144 A HN 0.016 nan 8.150 nan 0.000 0.443 145 K N 0.123 120.538 120.400 0.025 0.000 2.057 145 K HA 0.054 4.405 4.320 0.052 0.000 0.206 145 K C 1.786 178.428 176.600 0.070 0.000 1.050 145 K CA 1.027 57.341 56.287 0.045 0.000 0.935 145 K CB -0.655 31.861 32.500 0.028 0.000 0.715 145 K HN 0.601 nan 8.250 nan 0.000 0.439 146 I N 1.032 121.624 120.570 0.036 0.000 2.208 146 I HA -0.260 3.941 4.170 0.052 0.000 0.245 146 I C 2.369 178.543 176.117 0.095 0.000 1.097 146 I CA 1.230 62.559 61.300 0.049 0.000 1.363 146 I CB -0.239 37.763 38.000 0.004 0.000 1.051 146 I HN 0.141 nan 8.210 nan 0.000 0.413 147 E N 1.525 121.757 120.200 0.055 0.000 2.077 147 E HA -0.181 4.201 4.350 0.052 0.000 0.193 147 E C 2.077 178.704 176.600 0.044 0.000 0.989 147 E CA 1.758 58.182 56.400 0.040 0.000 0.800 147 E CB -0.175 29.537 29.700 0.019 0.000 0.746 147 E HN 0.421 nan 8.360 nan 0.000 0.452 148 A N -0.616 122.239 122.820 0.058 0.000 2.014 148 A HA -0.057 4.295 4.320 0.052 0.000 0.218 148 A C 2.164 179.776 177.584 0.047 0.000 1.163 148 A CA 0.993 53.055 52.037 0.043 0.000 0.652 148 A CB -0.784 18.244 19.000 0.047 0.000 0.808 148 A HN 0.408 nan 8.150 nan 0.000 0.449 149 F N 0.325 120.245 119.950 -0.050 0.000 2.206 149 F HA -0.069 4.488 4.527 0.051 0.000 0.298 149 F C 2.371 178.124 175.800 -0.077 0.000 1.090 149 F CA 1.557 59.509 58.000 -0.079 0.000 1.323 149 F CB -0.020 38.932 39.000 -0.079 0.000 1.028 149 F HN 0.085 nan 8.300 nan 0.000 0.492 150 R N -0.183 120.351 120.500 0.057 0.000 2.090 150 R HA -0.008 4.364 4.340 0.052 0.000 0.228 150 R C 2.399 178.636 176.300 -0.104 0.000 1.110 150 R CA 0.990 57.071 56.100 -0.032 0.000 0.973 150 R CB -0.591 29.727 30.300 0.031 0.000 0.869 150 R HN 0.340 nan 8.270 nan 0.000 0.440 151 A N -0.018 122.757 122.820 -0.075 0.000 1.969 151 A HA -0.132 4.219 4.320 0.052 0.000 0.218 151 A C 2.102 179.620 177.584 -0.111 0.000 1.169 151 A CA 1.564 53.556 52.037 -0.076 0.000 0.635 151 A CB -0.417 18.555 19.000 -0.047 0.000 0.810 151 A HN 0.265 nan 8.150 nan 0.000 0.445 152 S N -0.293 115.311 115.700 -0.161 0.000 2.338 152 S HA -0.085 4.416 4.470 0.052 0.000 0.218 152 S C 1.925 176.394 174.600 -0.218 0.000 1.032 152 S CA 1.356 59.440 58.200 -0.193 0.000 0.999 152 S CB -0.481 62.560 63.200 -0.264 0.000 0.905 152 S HN 0.507 nan 8.310 nan 0.000 0.439 153 L N 1.239 122.274 121.223 -0.314 0.000 2.081 153 L HA -0.120 4.252 4.340 0.052 0.000 0.212 153 L C 2.456 179.239 176.870 -0.145 0.000 1.080 153 L CA 1.336 56.021 54.840 -0.259 0.000 0.754 153 L CB -0.563 41.318 42.059 -0.296 0.000 0.893 153 L HN 0.311 nan 8.230 nan 0.000 0.433 154 S N -0.906 114.716 115.700 -0.131 0.000 2.515 154 S HA -0.057 4.444 4.470 0.052 0.000 0.231 154 S C 1.668 176.229 174.600 -0.065 0.000 0.987 154 S CA 0.727 58.873 58.200 -0.089 0.000 0.936 154 S CB -0.008 63.140 63.200 -0.087 0.000 0.766 154 S HN 0.328 nan 8.310 nan 0.000 0.528 155 K N 0.926 121.281 120.400 -0.074 0.000 2.367 155 K HA 0.272 4.623 4.320 0.052 0.000 0.194 155 K C 1.215 177.787 176.600 -0.048 0.000 1.027 155 K CA 0.122 56.376 56.287 -0.056 0.000 1.075 155 K CB 0.013 32.478 32.500 -0.060 0.000 0.845 155 K HN 0.393 nan 8.250 nan 0.000 0.529 156 L N 0.118 121.308 121.223 -0.055 0.000 2.552 156 L HA 0.038 4.409 4.340 0.052 0.000 0.227 156 L C 1.121 177.978 176.870 -0.021 0.000 1.146 156 L CA 0.136 54.949 54.840 -0.044 0.000 0.858 156 L CB -0.223 41.801 42.059 -0.057 0.000 0.969 156 L HN 0.073 nan 8.230 nan 0.000 0.451 157 G N -1.597 107.196 108.800 -0.011 0.000 2.606 157 G HA2 0.228 4.219 3.960 0.052 0.000 0.300 157 G HA3 0.228 4.219 3.960 0.052 0.000 0.300 157 G C -0.779 174.126 174.900 0.008 0.000 1.360 157 G CA -0.350 44.752 45.100 0.003 0.000 0.783 157 G HN -0.168 nan 8.290 nan 0.000 0.484 158 D N -1.288 119.120 120.400 0.014 0.000 2.394 158 D HA 0.122 4.793 4.640 0.052 0.000 0.226 158 D C 1.140 177.458 176.300 0.030 0.000 0.990 158 D CA 1.219 55.228 54.000 0.015 0.000 0.902 158 D CB 1.224 42.031 40.800 0.010 0.000 1.038 158 D HN 0.433 nan 8.370 nan 0.000 0.499 159 V N -1.255 118.683 119.914 0.040 0.000 2.914 159 V HA 0.567 4.719 4.120 0.052 0.000 0.314 159 V C -1.077 175.077 176.094 0.100 0.000 1.084 159 V CA -1.156 61.180 62.300 0.060 0.000 0.963 159 V CB 2.030 33.874 31.823 0.035 0.000 1.025 159 V HN 0.026 nan 8.190 nan 0.000 0.432 160 Y N 2.335 122.621 120.300 -0.024 0.000 2.377 160 Y HA 0.829 5.415 4.550 0.061 0.000 0.339 160 Y C -0.862 175.017 175.900 -0.035 0.000 1.011 160 Y CA -0.863 57.219 58.100 -0.030 0.000 1.093 160 Y CB 2.039 40.483 38.460 -0.027 0.000 1.201 160 Y HN 0.645 nan 8.280 nan 0.000 0.455 161 V N 6.098 125.585 119.914 -0.711 0.000 2.638 161 V HA 0.333 4.484 4.120 0.052 0.000 0.306 161 V C -1.115 174.463 176.094 -0.860 0.000 1.052 161 V CA -1.011 60.922 62.300 -0.611 0.000 0.885 161 V CB 1.821 33.443 31.823 -0.335 0.000 0.999 161 V HN 0.802 nan 8.190 nan 0.000 0.424 162 N N 2.624 120.970 118.700 -0.590 0.000 2.446 162 N HA 0.382 5.154 4.740 0.052 0.000 0.265 162 N C -0.714 174.704 175.510 -0.154 0.000 0.975 162 N CA -0.240 52.601 53.050 -0.349 0.000 0.928 162 N CB 1.876 40.295 38.487 -0.114 0.000 1.160 162 N HN 0.651 nan 8.380 nan 0.000 0.495 163 D N 1.866 122.196 120.400 -0.118 0.000 2.650 163 D HA 0.325 4.997 4.640 0.052 0.000 0.265 163 D C -0.692 175.622 176.300 0.024 0.000 1.339 163 D CA -0.033 53.943 54.000 -0.041 0.000 0.816 163 D CB 0.348 41.105 40.800 -0.072 0.000 1.091 163 D HN 0.532 nan 8.370 nan 0.000 0.483 164 A N 0.526 123.374 122.820 0.046 0.000 3.150 164 A HA 0.226 4.577 4.320 0.052 0.000 0.328 164 A C 0.807 178.481 177.584 0.149 0.000 1.104 164 A CA -0.610 51.480 52.037 0.088 0.000 0.937 164 A CB -0.859 18.173 19.000 0.054 0.000 1.073 164 A HN 0.254 nan 8.150 nan 0.000 0.497 165 F N 1.449 121.429 119.950 0.049 0.000 2.154 165 F HA -0.143 4.420 4.527 0.061 0.000 0.301 165 F C 2.017 177.846 175.800 0.049 0.000 1.087 165 F CA 2.312 60.345 58.000 0.055 0.000 1.274 165 F CB 0.071 39.118 39.000 0.078 0.000 1.009 165 F HN 0.456 nan 8.300 nan 0.000 0.485 166 G N -1.419 107.432 108.800 0.085 0.000 2.501 166 G HA2 -0.194 3.798 3.960 0.052 0.000 0.220 166 G HA3 -0.194 3.798 3.960 0.052 0.000 0.220 166 G C 1.281 176.202 174.900 0.035 0.000 1.114 166 G CA 1.396 46.490 45.100 -0.010 0.000 0.757 166 G HN 0.429 nan 8.290 nan 0.000 0.559 167 T N 0.038 114.629 114.554 0.062 0.000 3.044 167 T HA 0.422 4.804 4.350 0.052 0.000 0.260 167 T C 2.426 177.117 174.700 -0.016 0.000 1.019 167 T CA 0.412 62.551 62.100 0.065 0.000 0.921 167 T CB 0.577 69.483 68.868 0.064 0.000 1.053 167 T HN 0.285 nan 8.240 nan 0.000 0.533 168 A N 2.250 125.038 122.820 -0.054 0.000 2.076 168 A HA -0.179 4.172 4.320 0.052 0.000 0.220 168 A C 1.725 179.259 177.584 -0.083 0.000 1.160 168 A CA 1.669 53.649 52.037 -0.096 0.000 0.653 168 A CB -0.957 17.938 19.000 -0.175 0.000 0.801 168 A HN 0.884 nan 8.150 nan 0.000 0.455 169 H N -2.191 116.700 119.070 -0.298 0.000 2.543 169 H HA 0.316 4.904 4.556 0.053 0.000 0.269 169 H C 0.211 175.402 175.328 -0.227 0.000 1.005 169 H CA -0.325 55.577 56.048 -0.243 0.000 1.146 169 H CB 0.071 29.685 29.762 -0.247 0.000 1.353 169 H HN 0.186 nan 8.280 nan 0.000 0.595 170 R N 1.010 121.224 120.500 -0.478 0.000 2.599 170 R HA 0.474 4.845 4.340 0.052 0.000 0.295 170 R C -0.712 175.346 176.300 -0.403 0.000 0.963 170 R CA -0.510 55.221 56.100 -0.615 0.000 0.883 170 R CB 1.832 31.427 30.300 -1.175 0.000 1.171 170 R HN 0.277 nan 8.270 nan 0.000 0.450 171 A N 3.768 126.459 122.820 -0.215 0.000 3.118 171 A HA 0.174 4.525 4.320 0.052 0.000 0.256 171 A C -0.235 177.389 177.584 0.068 0.000 1.667 171 A CA -0.226 51.771 52.037 -0.066 0.000 1.338 171 A CB -0.721 18.259 19.000 -0.032 0.000 1.127 171 A HN 0.674 nan 8.150 nan 0.000 0.634 172 H N -0.361 118.668 119.070 -0.067 0.000 2.488 172 H HA 0.201 4.789 4.556 0.053 0.000 0.347 172 H C 1.197 176.516 175.328 -0.014 0.000 1.174 172 H CA -0.572 55.444 56.048 -0.053 0.000 1.307 172 H CB 1.348 31.070 29.762 -0.067 0.000 1.517 172 H HN 0.469 nan 8.280 nan 0.000 0.554 173 S N 0.986 116.768 115.700 0.136 0.000 2.368 173 S HA -0.270 4.231 4.470 0.052 0.000 0.226 173 S C 2.298 176.963 174.600 0.108 0.000 1.044 173 S CA 1.936 60.213 58.200 0.129 0.000 1.062 173 S CB -0.402 62.947 63.200 0.249 0.000 0.931 173 S HN 0.810 nan 8.310 nan 0.000 0.440 174 S N 0.423 116.218 115.700 0.159 0.000 2.474 174 S HA 0.038 4.540 4.470 0.052 0.000 0.235 174 S C 1.655 176.334 174.600 0.133 0.000 0.997 174 S CA 0.739 59.023 58.200 0.140 0.000 0.949 174 S CB -0.243 63.065 63.200 0.180 0.000 0.766 174 S HN 0.267 nan 8.310 nan 0.000 0.517 175 M N 1.123 120.782 119.600 0.099 0.000 2.429 175 M HA 0.233 4.745 4.480 0.052 0.000 0.265 175 M C 2.056 178.358 176.300 0.002 0.000 1.120 175 M CA 1.184 56.533 55.300 0.081 0.000 1.173 175 M CB -0.300 32.312 32.600 0.021 0.000 1.343 175 M HN 0.474 nan 8.290 nan 0.000 0.464 176 V N -4.121 115.774 119.914 -0.030 0.000 3.432 176 V HA 0.492 4.644 4.120 0.052 0.000 0.298 176 V C 1.271 177.310 176.094 -0.092 0.000 1.464 176 V CA 0.665 62.926 62.300 -0.064 0.000 1.046 176 V CB -0.283 31.520 31.823 -0.033 0.000 0.887 176 V HN 0.320 nan 8.190 nan 0.000 0.441 177 G N 0.415 109.163 108.800 -0.087 0.000 3.233 177 G HA2 0.319 4.311 3.960 0.052 0.000 0.234 177 G HA3 0.319 4.311 3.960 0.052 0.000 0.234 177 G C 0.272 175.090 174.900 -0.138 0.000 1.137 177 G CA 0.264 45.317 45.100 -0.078 0.000 0.763 177 G HN 0.374 nan 8.290 nan 0.000 0.549 178 V N 1.924 121.675 119.914 -0.272 0.000 2.353 178 V HA 0.169 4.321 4.120 0.052 0.000 0.264 178 V C -0.181 175.755 176.094 -0.263 0.000 1.049 178 V CA -0.951 61.162 62.300 -0.312 0.000 0.896 178 V CB 0.891 32.381 31.823 -0.555 0.000 1.025 178 V HN 0.237 nan 8.190 nan 0.000 0.475 179 N N 6.480 125.088 118.700 -0.152 0.000 2.555 179 N HA 0.394 5.165 4.740 0.052 0.000 0.244 179 N C -0.992 174.473 175.510 -0.076 0.000 1.114 179 N CA 0.176 53.164 53.050 -0.103 0.000 0.963 179 N CB -0.020 38.424 38.487 -0.071 0.000 1.276 179 N HN 0.641 nan 8.380 nan 0.000 0.510 180 L N 3.505 124.687 121.223 -0.068 0.000 2.393 180 L HA 0.488 4.860 4.340 0.052 0.000 0.260 180 L C -1.301 175.565 176.870 -0.006 0.000 1.002 180 L CA -2.026 52.800 54.840 -0.023 0.000 0.818 180 L CB 2.265 44.330 42.059 0.009 0.000 1.369 180 L HN 0.270 nan 8.230 nan 0.000 0.412 181 P HA -0.135 nan 4.420 nan 0.000 0.214 181 P C -0.448 176.864 177.300 0.021 0.000 1.169 181 P CA 1.404 64.510 63.100 0.009 0.000 0.908 181 P CB 0.205 31.912 31.700 0.010 0.000 0.791 182 K N -0.441 119.981 120.400 0.036 0.000 2.221 182 K HA 0.390 4.742 4.320 0.052 0.000 0.258 182 K C -0.544 176.111 176.600 0.092 0.000 0.944 182 K CA -0.395 55.922 56.287 0.049 0.000 0.823 182 K CB 1.470 33.992 32.500 0.038 0.000 1.113 182 K HN -0.152 nan 8.250 nan 0.000 0.431 183 K N 1.839 122.304 120.400 0.109 0.000 2.579 183 K HA 0.563 4.915 4.320 0.052 0.000 0.250 183 K C -1.356 175.314 176.600 0.117 0.000 0.952 183 K CA -0.629 55.789 56.287 0.217 0.000 0.857 183 K CB 2.025 34.686 32.500 0.268 0.000 1.123 183 K HN 0.594 nan 8.250 nan 0.000 0.433 184 A N 1.786 124.628 122.820 0.036 0.000 2.337 184 A HA 0.803 5.154 4.320 0.052 0.000 0.331 184 A C 0.006 177.537 177.584 -0.089 0.000 1.137 184 A CA -0.684 51.334 52.037 -0.032 0.000 0.807 184 A CB 1.198 20.156 19.000 -0.070 0.000 1.250 184 A HN 0.706 nan 8.150 nan 0.000 0.468 185 G N 0.079 108.838 108.800 -0.068 0.000 2.395 185 G HA2 0.500 4.491 3.960 0.052 0.000 0.283 185 G HA3 0.500 4.491 3.960 0.052 0.000 0.283 185 G C 0.465 175.272 174.900 -0.155 0.000 1.178 185 G CA 0.244 45.300 45.100 -0.073 0.000 0.837 185 G HN 1.088 nan 8.290 nan 0.000 0.518 186 G N -0.170 108.525 108.800 -0.174 0.000 2.553 186 G HA2 0.345 4.337 3.960 0.052 0.000 0.278 186 G HA3 0.345 4.337 3.960 0.052 0.000 0.278 186 G C 0.555 175.356 174.900 -0.164 0.000 1.349 186 G CA -0.483 44.448 45.100 -0.282 0.000 1.037 186 G HN 0.367 nan 8.290 nan 0.000 0.508 187 F N -0.757 119.132 119.950 -0.102 0.000 2.293 187 F HA 0.068 4.608 4.527 0.023 0.000 0.300 187 F C 2.550 178.329 175.800 -0.035 0.000 1.086 187 F CA 0.478 58.425 58.000 -0.088 0.000 1.375 187 F CB -0.487 38.456 39.000 -0.094 0.000 1.045 187 F HN 0.114 nan 8.300 nan 0.000 0.516 188 L N -1.271 120.048 121.223 0.160 0.000 2.072 188 L HA -0.198 4.173 4.340 0.052 0.000 0.205 188 L C 2.425 179.348 176.870 0.088 0.000 1.079 188 L CA 0.931 55.843 54.840 0.121 0.000 0.752 188 L CB -0.429 41.694 42.059 0.107 0.000 0.906 188 L HN 0.147 nan 8.230 nan 0.000 0.436 189 M N 0.114 119.758 119.600 0.074 0.000 2.175 189 M HA -0.215 4.296 4.480 0.052 0.000 0.264 189 M C 2.176 178.496 176.300 0.034 0.000 1.063 189 M CA 1.772 57.116 55.300 0.074 0.000 1.119 189 M CB -0.283 32.364 32.600 0.078 0.000 1.377 189 M HN -0.048 nan 8.290 nan 0.000 0.415 190 K N -0.136 120.292 120.400 0.047 0.000 2.032 190 K HA -0.248 4.103 4.320 0.052 0.000 0.209 190 K C 2.204 178.797 176.600 -0.013 0.000 1.048 190 K CA 1.816 58.123 56.287 0.033 0.000 0.927 190 K CB -0.219 32.341 32.500 0.100 0.000 0.712 190 K HN 0.357 nan 8.250 nan 0.000 0.441 191 K N 0.316 120.723 120.400 0.011 0.000 2.063 191 K HA -0.159 4.193 4.320 0.052 0.000 0.208 191 K C 1.935 178.427 176.600 -0.181 0.000 1.048 191 K CA 1.571 57.853 56.287 -0.009 0.000 0.928 191 K CB 0.097 32.662 32.500 0.108 0.000 0.713 191 K HN 0.207 nan 8.250 nan 0.000 0.442 192 E N 0.742 120.831 120.200 -0.185 0.000 2.077 192 E HA -0.194 4.187 4.350 0.052 0.000 0.193 192 E C 2.153 178.690 176.600 -0.105 0.000 0.989 192 E CA 0.932 57.147 56.400 -0.309 0.000 0.800 192 E CB -0.176 29.078 29.700 -0.744 0.000 0.746 192 E HN 0.361 nan 8.360 nan 0.000 0.452 193 L N 0.849 122.038 121.223 -0.056 0.000 2.056 193 L HA -0.184 4.187 4.340 0.052 0.000 0.207 193 L C 2.088 178.937 176.870 -0.035 0.000 1.078 193 L CA 1.240 56.095 54.840 0.026 0.000 0.749 193 L CB -0.626 41.450 42.059 0.029 0.000 0.901 193 L HN 0.170 nan 8.230 nan 0.000 0.433 194 N N -0.947 117.669 118.700 -0.140 0.000 2.084 194 N HA -0.213 4.559 4.740 0.052 0.000 0.190 194 N C 1.875 177.160 175.510 -0.375 0.000 1.030 194 N CA 1.203 54.096 53.050 -0.261 0.000 0.849 194 N CB -0.155 38.114 38.487 -0.362 0.000 1.012 194 N HN 0.226 nan 8.380 nan 0.000 0.423 195 Y N -0.340 119.751 120.300 -0.350 0.000 2.263 195 Y HA -0.042 4.535 4.550 0.045 0.000 0.292 195 Y C 1.591 177.245 175.900 -0.411 0.000 1.130 195 Y CA 0.928 58.754 58.100 -0.457 0.000 1.179 195 Y CB -0.098 37.896 38.460 -0.777 0.000 0.998 195 Y HN 0.040 nan 8.280 nan 0.000 0.532 196 F N -1.310 118.619 119.950 -0.035 0.000 2.456 196 F HA -0.048 4.507 4.527 0.048 0.000 0.298 196 F C 2.306 178.101 175.800 -0.009 0.000 1.104 196 F CA 0.500 58.506 58.000 0.011 0.000 1.435 196 F CB -0.220 38.800 39.000 0.034 0.000 1.078 196 F HN -0.018 nan 8.300 nan 0.000 0.546 197 A N -0.386 122.487 122.820 0.089 0.000 2.015 197 A HA -0.112 4.240 4.320 0.052 0.000 0.219 197 A C 2.232 179.800 177.584 -0.028 0.000 1.163 197 A CA 1.115 53.169 52.037 0.030 0.000 0.646 197 A CB -0.258 18.730 19.000 -0.021 0.000 0.806 197 A HN 0.042 nan 8.150 nan 0.000 0.448 198 K N -0.201 120.147 120.400 -0.086 0.000 2.116 198 K HA 0.104 4.455 4.320 0.052 0.000 0.203 198 K C 2.150 178.641 176.600 -0.182 0.000 1.052 198 K CA 1.173 57.370 56.287 -0.150 0.000 0.952 198 K CB -0.504 31.882 32.500 -0.191 0.000 0.729 198 K HN 0.427 nan 8.250 nan 0.000 0.446 199 A N 0.552 123.322 122.820 -0.083 0.000 1.968 199 A HA -0.005 4.347 4.320 0.052 0.000 0.217 199 A C 1.976 179.634 177.584 0.124 0.000 1.169 199 A CA 1.003 53.029 52.037 -0.019 0.000 0.638 199 A CB -0.153 18.988 19.000 0.236 0.000 0.812 199 A HN 0.197 nan 8.150 nan 0.000 0.446 200 L N -2.162 119.136 121.223 0.124 0.000 2.672 200 L HA 0.219 4.590 4.340 0.052 0.000 0.236 200 L C 1.957 178.870 176.870 0.073 0.000 1.092 200 L CA 0.239 55.157 54.840 0.131 0.000 0.887 200 L CB 0.139 42.283 42.059 0.143 0.000 1.168 200 L HN 0.314 nan 8.230 nan 0.000 0.502 201 E N 0.244 120.461 120.200 0.029 0.000 2.175 201 E HA 0.121 4.503 4.350 0.052 0.000 0.193 201 E C 0.348 176.939 176.600 -0.014 0.000 0.962 201 E CA 0.489 56.895 56.400 0.010 0.000 0.981 201 E CB 0.500 30.201 29.700 0.001 0.000 1.093 201 E HN 0.199 nan 8.360 nan 0.000 0.483 202 S N 2.659 118.330 115.700 -0.048 0.000 2.150 202 S HA 0.380 4.882 4.470 0.052 0.000 0.171 202 S C -2.587 171.945 174.600 -0.114 0.000 1.620 202 S CA -1.425 56.737 58.200 -0.063 0.000 1.190 202 S CB 0.891 64.056 63.200 -0.057 0.000 1.102 202 S HN 0.001 nan 8.310 nan 0.000 0.464 203 P HA 0.357 nan 4.420 nan 0.000 0.279 203 P C -0.348 176.838 177.300 -0.190 0.000 1.252 203 P CA -0.300 62.626 63.100 -0.291 0.000 0.811 203 P CB 0.837 32.235 31.700 -0.504 0.000 1.035 204 E N 1.746 121.822 120.200 -0.207 0.000 2.318 204 E HA 0.317 4.698 4.350 0.052 0.000 0.265 204 E C 0.254 176.830 176.600 -0.040 0.000 1.069 204 E CA -0.371 55.970 56.400 -0.098 0.000 0.893 204 E CB 0.950 30.601 29.700 -0.082 0.000 1.076 204 E HN 0.379 nan 8.360 nan 0.000 0.414 205 R N 1.121 121.625 120.500 0.007 0.000 2.750 205 R HA 0.469 4.840 4.340 0.052 0.000 0.281 205 R C -2.476 173.850 176.300 0.043 0.000 0.972 205 R CA -2.090 54.041 56.100 0.052 0.000 0.912 205 R CB 1.027 31.357 30.300 0.050 0.000 1.187 205 R HN 0.295 nan 8.270 nan 0.000 0.464 206 P HA 0.152 nan 4.420 nan 0.000 0.272 206 P C -0.916 176.489 177.300 0.175 0.000 1.223 206 P CA -0.132 63.023 63.100 0.091 0.000 0.784 206 P CB 0.458 32.190 31.700 0.054 0.000 0.923 207 F N 3.125 123.071 119.950 -0.007 0.000 2.402 207 F HA 0.491 5.050 4.527 0.052 0.000 0.355 207 F C -0.875 174.918 175.800 -0.011 0.000 1.123 207 F CA -1.419 56.580 58.000 -0.003 0.000 1.021 207 F CB 0.743 39.747 39.000 0.007 0.000 1.160 207 F HN 0.107 nan 8.300 nan 0.000 0.451 208 L N 6.961 128.252 121.223 0.113 0.000 2.329 208 L HA 0.821 5.192 4.340 0.052 0.000 0.279 208 L C -1.191 175.519 176.870 -0.267 0.000 1.014 208 L CA -0.260 54.491 54.840 -0.149 0.000 0.814 208 L CB 1.556 43.575 42.059 -0.067 0.000 1.257 208 L HN 0.601 nan 8.230 nan 0.000 0.424 209 A N 6.178 128.792 122.820 -0.343 0.000 2.303 209 A HA 0.756 5.108 4.320 0.052 0.000 0.320 209 A C -0.764 176.706 177.584 -0.190 0.000 1.192 209 A CA -0.457 51.426 52.037 -0.257 0.000 0.821 209 A CB 0.475 19.291 19.000 -0.307 0.000 1.188 209 A HN 0.711 nan 8.150 nan 0.000 0.492 210 I N 3.943 124.435 120.570 -0.130 0.000 2.354 210 I HA 0.264 4.465 4.170 0.052 0.000 0.286 210 I C -1.010 175.093 176.117 -0.022 0.000 1.007 210 I CA -0.513 60.658 61.300 -0.216 0.000 1.167 210 I CB 1.201 38.899 38.000 -0.504 0.000 1.320 210 I HN 0.339 nan 8.210 nan 0.000 0.458 211 L N 5.841 127.026 121.223 -0.062 0.000 2.313 211 L HA 0.735 5.107 4.340 0.052 0.000 0.283 211 L C 0.491 177.384 176.870 0.038 0.000 1.013 211 L CA -0.066 54.789 54.840 0.026 0.000 0.816 211 L CB 1.009 43.063 42.059 -0.009 0.000 1.236 211 L HN 0.677 nan 8.230 nan 0.000 0.419 212 G N 0.618 109.492 108.800 0.122 0.000 3.243 212 G HA2 0.816 4.807 3.960 0.052 0.000 0.248 212 G HA3 0.816 4.807 3.960 0.052 0.000 0.248 212 G C -0.364 174.616 174.900 0.133 0.000 1.267 212 G CA -0.243 44.941 45.100 0.139 0.000 0.906 212 G HN 0.972 nan 8.290 nan 0.000 0.592 213 G N -2.534 106.357 108.800 0.153 0.000 2.434 213 G HA2 0.440 4.432 3.960 0.052 0.000 0.671 213 G HA3 0.440 4.432 3.960 0.052 0.000 0.671 213 G C 0.653 175.633 174.900 0.134 0.000 1.280 213 G CA 0.597 45.778 45.100 0.134 0.000 0.975 213 G HN 1.790 nan 8.290 nan 0.000 0.510 214 A N -0.587 122.296 122.820 0.105 0.000 1.887 214 A HA 0.543 4.894 4.320 0.052 0.000 0.210 214 A C 1.607 179.236 177.584 0.075 0.000 1.221 214 A CA 2.278 54.370 52.037 0.092 0.000 0.635 214 A CB -0.391 18.636 19.000 0.046 0.000 0.881 214 A HN 1.899 nan 8.150 nan 0.000 0.456 215 K N -1.157 119.273 120.400 0.049 0.000 2.090 215 K HA 0.591 4.942 4.320 0.052 0.000 0.249 215 K C 0.530 177.154 176.600 0.040 0.000 0.995 215 K CA 0.042 56.344 56.287 0.024 0.000 0.914 215 K CB 1.154 33.654 32.500 0.000 0.000 1.057 215 K HN 0.122 nan 8.250 nan 0.000 0.462 216 V N -0.423 119.494 119.914 0.005 0.000 2.911 216 V HA 0.125 4.276 4.120 0.052 0.000 0.237 216 V C 2.552 178.638 176.094 -0.013 0.000 1.156 216 V CA 1.170 63.481 62.300 0.018 0.000 1.180 216 V CB -0.561 31.234 31.823 -0.047 0.000 0.932 216 V HN 0.954 nan 8.190 nan 0.000 0.483 217 A N 1.527 124.315 122.820 -0.052 0.000 1.986 217 A HA -0.277 4.075 4.320 0.052 0.000 0.220 217 A C 1.910 179.482 177.584 -0.020 0.000 1.171 217 A CA 2.117 54.125 52.037 -0.049 0.000 0.640 217 A CB -0.596 18.365 19.000 -0.066 0.000 0.811 217 A HN 0.743 nan 8.150 nan 0.000 0.451 218 D N -0.951 119.444 120.400 -0.009 0.000 2.355 218 D HA -0.034 4.638 4.640 0.052 0.000 0.218 218 D C 1.004 177.313 176.300 0.015 0.000 1.004 218 D CA 0.699 54.700 54.000 0.002 0.000 0.880 218 D CB -0.168 40.634 40.800 0.005 0.000 0.911 218 D HN 0.452 nan 8.370 nan 0.000 0.528 219 K N 0.108 120.523 120.400 0.025 0.000 2.455 219 K HA 0.213 4.564 4.320 0.052 0.000 0.206 219 K C 1.346 177.972 176.600 0.044 0.000 1.027 219 K CA -0.473 55.838 56.287 0.039 0.000 1.113 219 K CB 0.870 33.405 32.500 0.057 0.000 0.850 219 K HN -0.023 nan 8.250 nan 0.000 0.503 220 I N 1.282 121.870 120.570 0.029 0.000 2.179 220 I HA -0.246 3.955 4.170 0.052 0.000 0.242 220 I C 2.370 178.505 176.117 0.030 0.000 1.088 220 I CA 1.730 63.048 61.300 0.030 0.000 1.357 220 I CB -0.516 37.488 38.000 0.008 0.000 1.051 220 I HN 0.289 nan 8.210 nan 0.000 0.409 221 Q N 0.974 120.787 119.800 0.022 0.000 2.167 221 Q HA -0.169 4.203 4.340 0.052 0.000 0.202 221 Q C 2.032 178.049 176.000 0.028 0.000 0.970 221 Q CA 1.320 57.136 55.803 0.022 0.000 0.855 221 Q CB -0.564 28.183 28.738 0.015 0.000 0.911 221 Q HN 0.449 nan 8.270 nan 0.000 0.438 222 L N -0.399 120.842 121.223 0.031 0.000 2.027 222 L HA -0.051 4.321 4.340 0.052 0.000 0.206 222 L C 2.017 178.909 176.870 0.036 0.000 1.074 222 L CA 1.645 56.507 54.840 0.036 0.000 0.745 222 L CB -0.465 41.617 42.059 0.039 0.000 0.898 222 L HN 0.307 nan 8.230 nan 0.000 0.433 223 I N -0.038 120.556 120.570 0.041 0.000 2.179 223 I HA -0.302 3.899 4.170 0.052 0.000 0.242 223 I C 2.339 178.475 176.117 0.032 0.000 1.088 223 I CA 1.581 62.904 61.300 0.039 0.000 1.357 223 I CB -0.593 37.453 38.000 0.078 0.000 1.051 223 I HN 0.448 nan 8.210 nan 0.000 0.409 224 N N 1.427 120.149 118.700 0.037 0.000 2.036 224 N HA -0.275 4.496 4.740 0.052 0.000 0.195 224 N C 1.641 177.167 175.510 0.027 0.000 1.037 224 N CA 2.110 55.179 53.050 0.031 0.000 0.855 224 N CB -0.332 38.172 38.487 0.028 0.000 1.033 224 N HN 0.198 nan 8.380 nan 0.000 0.423 225 N N -0.754 117.964 118.700 0.030 0.000 2.120 225 N HA -0.060 4.712 4.740 0.052 0.000 0.188 225 N C 1.547 177.079 175.510 0.037 0.000 1.024 225 N CA 1.159 54.230 53.050 0.036 0.000 0.852 225 N CB -0.125 38.387 38.487 0.042 0.000 1.003 225 N HN 0.221 nan 8.380 nan 0.000 0.424 226 M N 0.056 119.670 119.600 0.024 0.000 2.213 226 M HA -0.037 4.474 4.480 0.052 0.000 0.263 226 M C 1.712 177.989 176.300 -0.039 0.000 1.062 226 M CA 0.886 56.181 55.300 -0.009 0.000 1.105 226 M CB -0.893 31.683 32.600 -0.040 0.000 1.385 226 M HN 0.259 nan 8.290 nan 0.000 0.417 227 L N -0.474 120.737 121.223 -0.019 0.000 2.362 227 L HA -0.181 4.190 4.340 0.052 0.000 0.219 227 L C 1.256 178.124 176.870 -0.002 0.000 1.134 227 L CA 0.612 55.439 54.840 -0.021 0.000 0.807 227 L CB -0.486 41.571 42.059 -0.002 0.000 0.927 227 L HN 0.206 nan 8.230 nan 0.000 0.447 228 D N -0.474 119.936 120.400 0.016 0.000 2.339 228 D HA -0.018 4.654 4.640 0.052 0.000 0.217 228 D C 1.664 177.996 176.300 0.054 0.000 1.050 228 D CA 0.556 54.576 54.000 0.033 0.000 0.856 228 D CB 0.483 41.306 40.800 0.038 0.000 0.922 228 D HN 0.306 nan 8.370 nan 0.000 0.518 229 K N -0.241 120.194 120.400 0.059 0.000 2.504 229 K HA 0.122 4.474 4.320 0.052 0.000 0.203 229 K C 0.997 177.683 176.600 0.143 0.000 1.350 229 K CA 0.145 56.515 56.287 0.138 0.000 0.953 229 K CB 1.127 33.770 32.500 0.239 0.000 1.243 229 K HN 0.019 nan 8.250 nan 0.000 0.534 230 V N 0.194 120.061 119.914 -0.080 0.000 3.170 230 V HA 0.280 4.432 4.120 0.052 0.000 0.309 230 V C 0.371 176.414 176.094 -0.085 0.000 1.071 230 V CA -0.379 61.772 62.300 -0.249 0.000 1.063 230 V CB 1.055 32.562 31.823 -0.528 0.000 1.123 230 V HN 0.103 nan 8.190 nan 0.000 0.464 231 N N -0.238 118.421 118.700 -0.069 0.000 2.348 231 N HA 0.253 5.025 4.740 0.052 0.000 0.183 231 N C -0.158 175.319 175.510 -0.057 0.000 1.094 231 N CA 0.072 53.108 53.050 -0.024 0.000 0.885 231 N CB 0.486 38.986 38.487 0.022 0.000 1.065 231 N HN 0.829 nan 8.380 nan 0.000 0.472 232 E N 0.252 120.390 120.200 -0.104 0.000 2.383 232 E HA 0.402 4.783 4.350 0.052 0.000 0.275 232 E C -1.469 175.032 176.600 -0.165 0.000 0.918 232 E CA -0.580 55.755 56.400 -0.110 0.000 0.764 232 E CB 2.875 32.524 29.700 -0.084 0.000 1.252 232 E HN -0.063 nan 8.360 nan 0.000 0.449 233 M N 3.194 122.701 119.600 -0.155 0.000 2.277 233 M HA 0.445 4.957 4.480 0.052 0.000 0.282 233 M C -2.045 174.138 176.300 -0.196 0.000 1.074 233 M CA -0.461 54.727 55.300 -0.186 0.000 0.954 233 M CB 1.421 33.918 32.600 -0.172 0.000 1.672 233 M HN 0.541 nan 8.290 nan 0.000 0.471 234 I N 5.314 125.737 120.570 -0.245 0.000 2.359 234 I HA 0.396 4.598 4.170 0.052 0.000 0.294 234 I C -0.553 175.395 176.117 -0.282 0.000 0.987 234 I CA -0.698 60.419 61.300 -0.304 0.000 1.225 234 I CB 1.521 39.210 38.000 -0.518 0.000 1.366 234 I HN 0.575 nan 8.210 nan 0.000 0.466 235 I N 6.021 126.435 120.570 -0.259 0.000 2.405 235 I HA 0.392 4.594 4.170 0.052 0.000 0.280 235 I C 0.477 176.502 176.117 -0.152 0.000 1.027 235 I CA 0.070 61.219 61.300 -0.252 0.000 1.161 235 I CB 0.808 38.526 38.000 -0.471 0.000 1.300 235 I HN 0.637 nan 8.210 nan 0.000 0.463 236 G N 3.089 111.835 108.800 -0.089 0.000 3.175 236 G HA2 0.778 4.769 3.960 0.052 0.000 0.255 236 G HA3 0.778 4.769 3.960 0.052 0.000 0.255 236 G C 0.067 175.017 174.900 0.084 0.000 1.352 236 G CA -0.240 44.875 45.100 0.026 0.000 1.037 236 G HN 0.850 nan 8.290 nan 0.000 0.556 237 G N -1.448 107.445 108.800 0.156 0.000 2.645 237 G HA2 0.243 4.234 3.960 0.052 0.000 0.239 237 G HA3 0.243 4.234 3.960 0.052 0.000 0.239 237 G C 1.237 176.251 174.900 0.190 0.000 1.331 237 G CA 0.475 45.695 45.100 0.201 0.000 0.890 237 G HN 1.834 nan 8.290 nan 0.000 0.572 238 G N -0.673 108.283 108.800 0.260 0.000 2.559 238 G HA2 0.120 4.111 3.960 0.052 0.000 0.216 238 G HA3 0.120 4.111 3.960 0.052 0.000 0.216 238 G C 1.728 176.812 174.900 0.306 0.000 1.126 238 G CA 1.705 47.030 45.100 0.376 0.000 0.778 238 G HN 0.881 nan 8.290 nan 0.000 0.543 239 M N 0.897 120.616 119.600 0.199 0.000 2.159 239 M HA 0.050 4.561 4.480 0.052 0.000 0.263 239 M C 2.693 179.157 176.300 0.273 0.000 1.063 239 M CA 1.638 57.063 55.300 0.208 0.000 1.110 239 M CB -0.033 32.675 32.600 0.180 0.000 1.374 239 M HN 0.249 nan 8.290 nan 0.000 0.411 240 A N -0.402 122.490 122.820 0.120 0.000 2.070 240 A HA -0.135 4.217 4.320 0.052 0.000 0.220 240 A C 1.702 179.333 177.584 0.079 0.000 1.159 240 A CA 1.228 53.304 52.037 0.065 0.000 0.656 240 A CB -1.194 17.745 19.000 -0.103 0.000 0.800 240 A HN 0.627 nan 8.150 nan 0.000 0.453 241 F N -0.069 120.013 119.950 0.220 0.000 2.293 241 F HA -0.101 4.457 4.527 0.052 0.000 0.300 241 F C 2.614 178.562 175.800 0.246 0.000 1.086 241 F CA 1.490 59.587 58.000 0.162 0.000 1.375 241 F CB -0.419 38.628 39.000 0.079 0.000 1.045 241 F HN 0.121 nan 8.300 nan 0.000 0.516 242 T N -0.186 114.602 114.554 0.391 0.000 2.857 242 T HA -0.126 4.255 4.350 0.052 0.000 0.266 242 T C 1.644 176.453 174.700 0.181 0.000 1.048 242 T CA 1.183 63.435 62.100 0.254 0.000 1.139 242 T CB -0.415 68.392 68.868 -0.102 0.000 0.874 242 T HN 0.079 nan 8.240 nan 0.000 0.455 243 F N 0.944 120.973 119.950 0.132 0.000 2.128 243 F HA 0.136 4.694 4.527 0.053 0.000 0.295 243 F C 2.105 177.975 175.800 0.117 0.000 1.100 243 F CA 0.784 58.843 58.000 0.099 0.000 1.260 243 F CB -0.469 38.566 39.000 0.059 0.000 1.009 243 F HN 0.039 nan 8.300 nan 0.000 0.476 244 L N -0.027 121.397 121.223 0.335 0.000 2.083 244 L HA -0.242 4.130 4.340 0.052 0.000 0.209 244 L C 2.479 179.473 176.870 0.207 0.000 1.083 244 L CA 1.443 56.430 54.840 0.246 0.000 0.752 244 L CB -0.597 41.606 42.059 0.241 0.000 0.899 244 L HN 0.095 nan 8.230 nan 0.000 0.433 245 K N -0.041 120.493 120.400 0.225 0.000 2.097 245 K HA -0.137 4.215 4.320 0.052 0.000 0.205 245 K C 1.967 178.642 176.600 0.125 0.000 1.050 245 K CA 1.263 57.640 56.287 0.151 0.000 0.938 245 K CB 0.125 32.705 32.500 0.132 0.000 0.718 245 K HN 0.107 nan 8.250 nan 0.000 0.442 246 V N 1.376 121.387 119.914 0.161 0.000 2.346 246 V HA -0.195 3.956 4.120 0.052 0.000 0.244 246 V C 2.177 178.329 176.094 0.096 0.000 1.037 246 V CA 1.385 63.755 62.300 0.116 0.000 1.029 246 V CB -0.245 31.629 31.823 0.085 0.000 0.663 246 V HN 0.261 nan 8.190 nan 0.000 0.454 247 L N 0.028 121.324 121.223 0.122 0.000 2.162 247 L HA 0.057 4.428 4.340 0.052 0.000 0.205 247 L C 1.891 178.816 176.870 0.092 0.000 1.086 247 L CA 1.073 55.979 54.840 0.110 0.000 0.778 247 L CB -0.399 41.744 42.059 0.140 0.000 0.928 247 L HN 0.330 nan 8.230 nan 0.000 0.446 248 N N -0.434 118.328 118.700 0.103 0.000 2.220 248 N HA -0.029 4.742 4.740 0.052 0.000 0.195 248 N C 0.251 175.804 175.510 0.071 0.000 1.123 248 N CA 0.194 53.295 53.050 0.086 0.000 0.874 248 N CB 0.298 38.846 38.487 0.102 0.000 0.995 248 N HN 0.158 nan 8.380 nan 0.000 0.498 249 N N 0.848 119.589 118.700 0.068 0.000 2.741 249 N HA -0.203 4.569 4.740 0.052 0.000 0.250 249 N C -0.271 175.264 175.510 0.043 0.000 1.115 249 N CA 0.242 53.318 53.050 0.043 0.000 0.724 249 N CB -1.642 36.863 38.487 0.030 0.000 1.090 249 N HN 0.370 nan 8.380 nan 0.000 0.558 250 M N 0.518 120.161 119.600 0.071 0.000 2.245 250 M HA 0.246 4.758 4.480 0.052 0.000 0.344 250 M C 0.650 176.976 176.300 0.043 0.000 1.170 250 M CA 0.714 56.062 55.300 0.080 0.000 1.135 250 M CB 0.395 33.077 32.600 0.137 0.000 1.574 250 M HN 0.311 nan 8.290 nan 0.000 0.452 251 E N 5.460 125.677 120.200 0.028 0.000 2.259 251 E HA 0.364 4.745 4.350 0.052 0.000 0.281 251 E C -0.072 176.518 176.600 -0.017 0.000 1.037 251 E CA -0.318 56.077 56.400 -0.009 0.000 0.854 251 E CB -0.045 29.650 29.700 -0.009 0.000 1.051 251 E HN 0.822 nan 8.360 nan 0.000 0.409 252 I N -0.148 120.386 120.570 -0.060 0.000 4.009 252 I HA 0.534 4.736 4.170 0.052 0.000 0.331 252 I C 1.218 177.231 176.117 -0.173 0.000 1.462 252 I CA 0.246 61.469 61.300 -0.128 0.000 1.117 252 I CB 0.109 38.047 38.000 -0.104 0.000 1.091 252 I HN 0.858 nan 8.210 nan 0.000 0.410 253 G N 2.941 111.684 108.800 -0.094 0.000 2.652 253 G HA2 -0.442 3.549 3.960 0.052 0.000 0.318 253 G HA3 -0.442 3.549 3.960 0.052 0.000 0.318 253 G C 0.769 175.619 174.900 -0.083 0.000 1.295 253 G CA 1.330 46.398 45.100 -0.054 0.000 0.999 253 G HN 0.695 nan 8.290 nan 0.000 0.548 254 T N -1.436 113.077 114.554 -0.068 0.000 3.278 254 T HA 0.565 4.946 4.350 0.052 0.000 0.251 254 T C 0.956 175.574 174.700 -0.136 0.000 1.039 254 T CA 0.915 62.967 62.100 -0.080 0.000 0.935 254 T CB 0.033 68.870 68.868 -0.052 0.000 1.034 254 T HN 0.653 nan 8.240 nan 0.000 0.575 255 S N 1.400 116.952 115.700 -0.246 0.000 2.593 255 S HA 0.381 4.882 4.470 0.052 0.000 0.269 255 S C 0.525 175.019 174.600 -0.176 0.000 1.334 255 S CA -0.734 57.228 58.200 -0.397 0.000 1.015 255 S CB 0.315 62.884 63.200 -1.051 0.000 0.912 255 S HN 0.464 nan 8.310 nan 0.000 0.541 256 L N 2.407 123.574 121.223 -0.094 0.000 2.525 256 L HA 0.137 4.508 4.340 0.052 0.000 0.278 256 L C -0.443 176.534 176.870 0.178 0.000 1.218 256 L CA 0.437 55.298 54.840 0.036 0.000 0.878 256 L CB -0.121 41.971 42.059 0.055 0.000 1.127 256 L HN 0.537 nan 8.230 nan 0.000 0.492 257 F N 3.381 123.328 119.950 -0.005 0.000 2.539 257 F HA 0.278 4.837 4.527 0.053 0.000 0.318 257 F C -0.360 175.441 175.800 0.002 0.000 1.135 257 F CA -1.116 56.892 58.000 0.014 0.000 0.915 257 F CB 1.371 40.367 39.000 -0.007 0.000 1.176 257 F HN 0.330 nan 8.300 nan 0.000 0.440 258 D N 5.191 125.168 120.400 -0.705 0.000 2.456 258 D HA 0.237 4.908 4.640 0.052 0.000 0.219 258 D C 1.082 176.892 176.300 -0.817 0.000 1.126 258 D CA 0.728 54.402 54.000 -0.542 0.000 0.890 258 D CB 1.517 42.123 40.800 -0.323 0.000 1.025 258 D HN 0.893 nan 8.370 nan 0.000 0.511 259 E N 3.384 123.263 120.200 -0.534 0.000 2.033 259 E HA -0.282 4.099 4.350 0.052 0.000 0.199 259 E C 1.585 178.051 176.600 -0.224 0.000 1.011 259 E CA 1.913 58.134 56.400 -0.298 0.000 0.815 259 E CB -0.698 28.978 29.700 -0.040 0.000 0.755 259 E HN 0.767 nan 8.360 nan 0.000 0.451 260 E N -0.280 119.817 120.200 -0.171 0.000 2.077 260 E HA -0.069 4.312 4.350 0.052 0.000 0.193 260 E C 2.471 178.978 176.600 -0.155 0.000 0.989 260 E CA 1.052 57.378 56.400 -0.123 0.000 0.800 260 E CB -0.553 29.093 29.700 -0.090 0.000 0.746 260 E HN 0.470 nan 8.360 nan 0.000 0.452 261 G N 0.429 109.101 108.800 -0.214 0.000 2.432 261 G HA2 -0.305 3.686 3.960 0.052 0.000 0.219 261 G HA3 -0.305 3.686 3.960 0.052 0.000 0.219 261 G C 1.689 176.418 174.900 -0.285 0.000 1.135 261 G CA 1.084 46.044 45.100 -0.232 0.000 0.767 261 G HN 0.439 nan 8.290 nan 0.000 0.550 262 S N 0.577 116.082 115.700 -0.324 0.000 2.442 262 S HA -0.059 4.442 4.470 0.052 0.000 0.236 262 S C 1.985 176.519 174.600 -0.111 0.000 1.007 262 S CA 1.455 59.522 58.200 -0.223 0.000 0.965 262 S CB -0.195 62.935 63.200 -0.115 0.000 0.773 262 S HN 0.458 nan 8.310 nan 0.000 0.504 263 K N 0.158 120.499 120.400 -0.098 0.000 2.418 263 K HA 0.252 4.603 4.320 0.052 0.000 0.195 263 K C 0.886 177.448 176.600 -0.062 0.000 1.035 263 K CA 0.330 56.585 56.287 -0.053 0.000 1.003 263 K CB 0.069 32.547 32.500 -0.038 0.000 0.793 263 K HN 0.378 nan 8.250 nan 0.000 0.494 264 I N -0.326 120.184 120.570 -0.100 0.000 4.070 264 I HA -0.032 4.169 4.170 0.052 0.000 0.328 264 I C 1.851 177.908 176.117 -0.100 0.000 1.298 264 I CA 0.361 61.611 61.300 -0.083 0.000 1.173 264 I CB -0.479 37.474 38.000 -0.078 0.000 1.051 264 I HN -0.184 nan 8.210 nan 0.000 0.409 265 V N 2.134 121.933 119.914 -0.191 0.000 2.233 265 V HA -0.363 3.788 4.120 0.052 0.000 0.252 265 V C 2.521 178.599 176.094 -0.027 0.000 1.063 265 V CA 2.253 64.403 62.300 -0.251 0.000 1.032 265 V CB -0.691 30.918 31.823 -0.355 0.000 0.645 265 V HN 0.370 nan 8.190 nan 0.000 0.446 266 K N -0.396 120.000 120.400 -0.006 0.000 2.209 266 K HA -0.157 4.194 4.320 0.052 0.000 0.204 266 K C 1.780 178.404 176.600 0.039 0.000 1.048 266 K CA 1.482 57.791 56.287 0.036 0.000 0.940 266 K CB -0.244 32.272 32.500 0.026 0.000 0.729 266 K HN 0.543 nan 8.250 nan 0.000 0.451 267 D N 0.554 120.967 120.400 0.022 0.000 2.224 267 D HA -0.071 4.600 4.640 0.052 0.000 0.205 267 D C 1.785 178.111 176.300 0.044 0.000 0.965 267 D CA 0.859 54.874 54.000 0.025 0.000 0.852 267 D CB 0.174 40.981 40.800 0.011 0.000 0.947 267 D HN 0.185 nan 8.370 nan 0.000 0.494 268 L N 0.229 121.493 121.223 0.068 0.000 2.095 268 L HA -0.054 4.318 4.340 0.052 0.000 0.204 268 L C 2.462 179.399 176.870 0.111 0.000 1.080 268 L CA 0.517 55.421 54.840 0.106 0.000 0.759 268 L CB -0.188 41.984 42.059 0.189 0.000 0.914 268 L HN -0.032 nan 8.230 nan 0.000 0.439 269 M N -0.747 118.931 119.600 0.130 0.000 2.229 269 M HA -0.147 4.365 4.480 0.052 0.000 0.264 269 M C 2.591 178.927 176.300 0.060 0.000 1.063 269 M CA 1.445 56.806 55.300 0.102 0.000 1.114 269 M CB -1.221 31.450 32.600 0.119 0.000 1.387 269 M HN 0.260 nan 8.290 nan 0.000 0.420 270 S N 0.667 116.398 115.700 0.053 0.000 2.356 270 S HA -0.196 4.305 4.470 0.052 0.000 0.223 270 S C 2.053 176.671 174.600 0.030 0.000 1.032 270 S CA 1.697 59.919 58.200 0.036 0.000 1.005 270 S CB -0.114 63.105 63.200 0.031 0.000 0.867 270 S HN 0.491 nan 8.310 nan 0.000 0.449 271 K N 0.660 121.080 120.400 0.033 0.000 2.097 271 K HA -0.005 4.347 4.320 0.052 0.000 0.206 271 K C 2.186 178.799 176.600 0.021 0.000 1.049 271 K CA 1.194 57.497 56.287 0.026 0.000 0.933 271 K CB -0.640 31.877 32.500 0.028 0.000 0.717 271 K HN 0.419 nan 8.250 nan 0.000 0.442 272 A N 1.366 124.200 122.820 0.023 0.000 1.865 272 A HA -0.242 4.109 4.320 0.052 0.000 0.217 272 A C 2.063 179.651 177.584 0.008 0.000 1.191 272 A CA 1.885 53.928 52.037 0.010 0.000 0.623 272 A CB -0.716 18.289 19.000 0.008 0.000 0.826 272 A HN 0.535 nan 8.150 nan 0.000 0.444 273 E N -0.259 119.950 120.200 0.015 0.000 2.058 273 E HA -0.220 4.161 4.350 0.052 0.000 0.194 273 E C 1.972 178.579 176.600 0.012 0.000 0.997 273 E CA 1.513 57.921 56.400 0.013 0.000 0.801 273 E CB -0.119 29.592 29.700 0.018 0.000 0.746 273 E HN 0.605 nan 8.360 nan 0.000 0.450 274 K N 0.094 120.503 120.400 0.014 0.000 2.283 274 K HA -0.082 4.269 4.320 0.052 0.000 0.202 274 K C 1.420 178.027 176.600 0.012 0.000 1.048 274 K CA 0.744 57.039 56.287 0.013 0.000 0.948 274 K CB 0.032 32.541 32.500 0.015 0.000 0.742 274 K HN 0.026 nan 8.250 nan 0.000 0.458 275 N N -0.534 118.172 118.700 0.010 0.000 2.299 275 N HA 0.026 4.797 4.740 0.052 0.000 0.187 275 N C 0.658 176.172 175.510 0.007 0.000 1.099 275 N CA 0.793 53.849 53.050 0.010 0.000 0.867 275 N CB 1.232 39.724 38.487 0.008 0.000 0.974 275 N HN 0.305 nan 8.380 nan 0.000 0.477 276 G N 0.017 108.819 108.800 0.004 0.000 2.137 276 G HA2 -0.246 3.746 3.960 0.052 0.000 0.237 276 G HA3 -0.246 3.746 3.960 0.052 0.000 0.237 276 G C -0.211 174.686 174.900 -0.006 0.000 1.002 276 G CA 0.152 45.253 45.100 0.002 0.000 0.702 276 G HN 0.160 nan 8.290 nan 0.000 0.515 277 V N 1.202 121.109 119.914 -0.012 0.000 2.461 277 V HA 0.393 4.545 4.120 0.052 0.000 0.275 277 V C 0.885 176.960 176.094 -0.031 0.000 1.047 277 V CA -0.262 62.021 62.300 -0.028 0.000 0.955 277 V CB 1.684 33.484 31.823 -0.038 0.000 0.988 277 V HN 0.385 nan 8.190 nan 0.000 0.471 278 K N 5.644 126.021 120.400 -0.039 0.000 2.227 278 K HA 0.397 4.749 4.320 0.052 0.000 0.280 278 K C -0.984 175.580 176.600 -0.060 0.000 1.041 278 K CA -0.619 55.645 56.287 -0.039 0.000 0.905 278 K CB 0.732 33.212 32.500 -0.033 0.000 1.068 278 K HN 0.447 nan 8.250 nan 0.000 0.470 279 I N 3.734 124.269 120.570 -0.058 0.000 2.359 279 I HA 0.173 4.374 4.170 0.052 0.000 0.294 279 I C 0.008 176.080 176.117 -0.074 0.000 0.987 279 I CA -0.433 60.815 61.300 -0.087 0.000 1.225 279 I CB 1.500 39.444 38.000 -0.095 0.000 1.366 279 I HN 0.578 nan 8.210 nan 0.000 0.466 280 T N 7.524 122.025 114.554 -0.088 0.000 2.770 280 T HA 0.622 5.004 4.350 0.052 0.000 0.283 280 T C 0.062 174.746 174.700 -0.027 0.000 0.988 280 T CA -0.390 61.687 62.100 -0.038 0.000 0.957 280 T CB 1.217 70.080 68.868 -0.009 0.000 0.930 280 T HN 0.263 nan 8.240 nan 0.000 0.443 281 L N 4.953 126.175 121.223 -0.001 0.000 2.322 281 L HA 0.587 4.959 4.340 0.052 0.000 0.269 281 L C -1.863 175.034 176.870 0.045 0.000 1.012 281 L CA -2.607 52.240 54.840 0.011 0.000 0.815 281 L CB 1.892 43.942 42.059 -0.015 0.000 1.295 281 L HN 0.375 nan 8.230 nan 0.000 0.438 282 P HA 0.032 nan 4.420 nan 0.000 0.272 282 P C 0.128 177.279 177.300 -0.248 0.000 1.240 282 P CA -0.139 62.863 63.100 -0.164 0.000 0.791 282 P CB 1.196 32.807 31.700 -0.149 0.000 0.978 283 V N -3.355 116.295 119.914 -0.441 0.000 3.497 283 V HA 0.271 4.422 4.120 0.052 0.000 0.272 283 V C -0.108 175.687 176.094 -0.498 0.000 1.474 283 V CA 0.286 62.388 62.300 -0.329 0.000 1.025 283 V CB 0.057 31.761 31.823 -0.197 0.000 0.820 283 V HN 0.561 nan 8.190 nan 0.000 0.437 284 D N -0.096 119.799 120.400 -0.842 0.000 2.570 284 D HA 0.653 5.324 4.640 0.052 0.000 0.244 284 D C -1.084 174.569 176.300 -1.077 0.000 1.178 284 D CA -0.542 53.033 54.000 -0.708 0.000 0.881 284 D CB 1.877 42.509 40.800 -0.281 0.000 1.453 284 D HN 0.146 nan 8.370 nan 0.000 0.447 285 F N -1.415 118.598 119.950 0.105 0.000 2.685 285 F HA 0.548 5.106 4.527 0.052 0.000 0.315 285 F C -0.546 175.369 175.800 0.191 0.000 1.126 285 F CA -1.290 56.816 58.000 0.177 0.000 0.950 285 F CB 1.784 40.969 39.000 0.307 0.000 1.360 285 F HN 0.101 nan 8.300 nan 0.000 0.469 286 V N 1.325 121.515 119.914 0.460 0.000 2.347 286 V HA 0.512 4.664 4.120 0.052 0.000 0.280 286 V C -0.038 176.339 176.094 0.472 0.000 1.021 286 V CA -0.601 61.941 62.300 0.404 0.000 0.847 286 V CB 1.186 33.248 31.823 0.398 0.000 0.990 286 V HN 0.900 nan 8.190 nan 0.000 0.444 287 T N 2.465 117.282 114.554 0.438 0.000 2.927 287 T HA 0.896 5.278 4.350 0.052 0.000 0.281 287 T C -0.216 174.821 174.700 0.561 0.000 0.998 287 T CA -0.394 61.986 62.100 0.467 0.000 1.019 287 T CB 2.097 71.250 68.868 0.476 0.000 1.061 287 T HN 1.047 nan 8.240 nan 0.000 0.518 288 A N 0.972 124.038 122.820 0.409 0.000 2.515 288 A HA 0.615 4.967 4.320 0.052 0.000 0.298 288 A C 0.333 177.704 177.584 -0.356 0.000 1.059 288 A CA -0.611 51.496 52.037 0.116 0.000 0.698 288 A CB 1.466 20.450 19.000 -0.028 0.000 1.289 288 A HN 0.869 nan 8.150 nan 0.000 0.404 289 D N 0.349 120.250 120.400 -0.832 0.000 2.349 289 D HA 0.160 4.832 4.640 0.052 0.000 0.215 289 D C 0.355 176.350 176.300 -0.508 0.000 1.016 289 D CA 0.941 54.254 54.000 -1.145 0.000 0.870 289 D CB -0.066 40.004 40.800 -1.216 0.000 0.917 289 D HN 0.677 nan 8.370 nan 0.000 0.524 290 K N -1.614 118.612 120.400 -0.290 0.000 2.607 290 K HA 0.348 4.700 4.320 0.052 0.000 0.287 290 K C -1.390 175.192 176.600 -0.029 0.000 0.996 290 K CA -1.006 55.202 56.287 -0.132 0.000 0.876 290 K CB -0.248 32.173 32.500 -0.133 0.000 1.496 290 K HN 0.013 nan 8.250 nan 0.000 0.415 291 F N 2.081 121.986 119.950 -0.075 0.000 2.605 291 F HA 0.437 4.995 4.527 0.052 0.000 0.352 291 F C -0.325 175.488 175.800 0.022 0.000 1.236 291 F CA 0.216 58.243 58.000 0.045 0.000 1.267 291 F CB -0.219 38.834 39.000 0.089 0.000 1.632 291 F HN 0.862 nan 8.300 nan 0.000 0.639 292 D N 1.548 121.671 120.400 -0.462 0.000 2.736 292 D HA 0.069 4.740 4.640 0.052 0.000 0.223 292 D C 0.663 176.323 176.300 -1.066 0.000 1.231 292 D CA -0.462 53.027 54.000 -0.853 0.000 0.818 292 D CB 1.421 41.975 40.800 -0.411 0.000 1.587 292 D HN 0.404 nan 8.370 nan 0.000 0.463 293 E N 1.668 120.905 120.200 -1.605 0.000 2.097 293 E HA -0.213 4.168 4.350 0.052 0.000 0.196 293 E C 0.178 176.570 176.600 -0.346 0.000 1.000 293 E CA 1.238 56.985 56.400 -1.088 0.000 0.804 293 E CB 0.039 29.063 29.700 -1.127 0.000 0.740 293 E HN 0.422 nan 8.360 nan 0.000 0.454 294 N N 0.663 119.177 118.700 -0.309 0.000 2.327 294 N HA 0.158 4.929 4.740 0.052 0.000 0.231 294 N C -0.384 175.069 175.510 -0.096 0.000 1.130 294 N CA 0.268 53.224 53.050 -0.156 0.000 0.845 294 N CB 0.873 39.273 38.487 -0.144 0.000 1.073 294 N HN 0.104 nan 8.380 nan 0.000 0.496 295 A N 0.920 123.708 122.820 -0.054 0.000 2.313 295 A HA 0.488 4.840 4.320 0.052 0.000 0.261 295 A C 0.795 178.406 177.584 0.046 0.000 1.090 295 A CA -0.441 51.581 52.037 -0.025 0.000 0.807 295 A CB 0.188 19.168 19.000 -0.034 0.000 1.055 295 A HN 0.379 nan 8.150 nan 0.000 0.492 296 K N 0.431 120.825 120.400 -0.010 0.000 2.270 296 K HA 0.544 4.896 4.320 0.052 0.000 0.276 296 K C 0.067 176.777 176.600 0.183 0.000 1.023 296 K CA 0.180 56.505 56.287 0.064 0.000 0.955 296 K CB 0.160 32.687 32.500 0.045 0.000 0.975 296 K HN 0.778 nan 8.250 nan 0.000 0.471 297 T N 0.482 115.207 114.554 0.285 0.000 2.918 297 T HA 0.793 5.174 4.350 0.052 0.000 0.286 297 T C 0.380 175.342 174.700 0.437 0.000 1.026 297 T CA 0.155 62.491 62.100 0.394 0.000 1.031 297 T CB 1.741 70.749 68.868 0.234 0.000 1.046 297 T HN 0.984 nan 8.240 nan 0.000 0.479 298 G N 0.664 109.729 108.800 0.442 0.000 2.870 298 G HA2 0.712 4.704 3.960 0.052 0.000 0.299 298 G HA3 0.712 4.704 3.960 0.052 0.000 0.299 298 G C -1.912 173.088 174.900 0.166 0.000 1.324 298 G CA -0.867 44.352 45.100 0.199 0.000 0.808 298 G HN 0.772 nan 8.290 nan 0.000 0.535 299 Q N -1.653 118.187 119.800 0.068 0.000 2.456 299 Q HA 0.810 5.182 4.340 0.052 0.000 0.283 299 Q C -1.135 174.917 176.000 0.087 0.000 1.084 299 Q CA -1.126 54.740 55.803 0.105 0.000 0.801 299 Q CB 2.550 31.328 28.738 0.068 0.000 1.434 299 Q HN 1.534 nan 8.270 nan 0.000 0.419 300 A N 0.639 123.561 122.820 0.169 0.000 2.601 300 A HA 0.811 5.162 4.320 0.052 0.000 0.291 300 A C -0.849 176.894 177.584 0.263 0.000 1.075 300 A CA -0.053 52.101 52.037 0.195 0.000 0.671 300 A CB 1.724 20.862 19.000 0.231 0.000 1.277 300 A HN 1.002 nan 8.150 nan 0.000 0.417 301 T N -2.393 112.294 114.554 0.221 0.000 2.858 301 T HA 0.566 4.947 4.350 0.052 0.000 0.285 301 T C 0.724 175.598 174.700 0.290 0.000 1.052 301 T CA 0.115 62.317 62.100 0.170 0.000 1.009 301 T CB 0.852 69.752 68.868 0.053 0.000 1.241 301 T HN 0.924 nan 8.240 nan 0.000 0.542 302 V N 1.018 121.075 119.914 0.238 0.000 2.427 302 V HA -0.012 4.140 4.120 0.052 0.000 0.248 302 V C 3.016 179.200 176.094 0.151 0.000 1.051 302 V CA 2.374 64.827 62.300 0.256 0.000 1.048 302 V CB -1.339 30.595 31.823 0.185 0.000 0.666 302 V HN 1.033 nan 8.190 nan 0.000 0.456 303 A N 0.188 123.067 122.820 0.099 0.000 1.897 303 A HA -0.178 4.174 4.320 0.052 0.000 0.215 303 A C 2.568 180.187 177.584 0.058 0.000 1.181 303 A CA 2.059 54.134 52.037 0.064 0.000 0.620 303 A CB -0.690 18.334 19.000 0.039 0.000 0.821 303 A HN 0.636 nan 8.150 nan 0.000 0.443 304 S N -1.094 114.644 115.700 0.064 0.000 2.406 304 S HA 0.357 4.858 4.470 0.052 0.000 0.228 304 S C 1.251 175.879 174.600 0.047 0.000 1.020 304 S CA 1.318 59.544 58.200 0.044 0.000 0.965 304 S CB -0.921 62.301 63.200 0.037 0.000 0.798 304 S HN 2.194 nan 8.310 nan 0.000 0.488 305 G N 0.362 109.214 108.800 0.087 0.000 2.781 305 G HA2 -0.122 3.870 3.960 0.052 0.000 0.683 305 G HA3 -0.122 3.870 3.960 0.052 0.000 0.683 305 G C -0.747 174.182 174.900 0.048 0.000 1.390 305 G CA -0.360 44.783 45.100 0.072 0.000 0.850 305 G HN 0.616 nan 8.290 nan 0.000 0.557 306 I N 2.995 123.575 120.570 0.016 0.000 2.336 306 I HA 0.348 4.549 4.170 0.052 0.000 0.292 306 I C -1.375 174.732 176.117 -0.018 0.000 0.991 306 I CA -2.040 59.256 61.300 -0.007 0.000 1.227 306 I CB 1.908 39.877 38.000 -0.051 0.000 1.366 306 I HN 0.401 nan 8.210 nan 0.000 0.466 307 P HA 0.063 nan 4.420 nan 0.000 0.269 307 P C -0.555 176.805 177.300 0.101 0.000 1.215 307 P CA -0.380 62.685 63.100 -0.057 0.000 0.780 307 P CB 0.572 32.096 31.700 -0.293 0.000 0.898 308 A N 1.811 124.690 122.820 0.098 0.000 2.540 308 A HA 0.409 4.760 4.320 0.052 0.000 0.239 308 A C 1.476 179.201 177.584 0.236 0.000 1.061 308 A CA 0.646 52.755 52.037 0.120 0.000 0.758 308 A CB -1.370 17.672 19.000 0.070 0.000 0.991 308 A HN 0.940 nan 8.150 nan 0.000 0.502 309 G N 0.296 109.184 108.800 0.147 0.000 2.143 309 G HA2 -0.240 3.752 3.960 0.052 0.000 0.248 309 G HA3 -0.240 3.752 3.960 0.052 0.000 0.248 309 G C -0.304 174.604 174.900 0.014 0.000 0.991 309 G CA 0.557 45.706 45.100 0.080 0.000 0.689 309 G HN 0.840 nan 8.290 nan 0.000 0.522 310 W N 0.008 121.287 121.300 -0.035 0.000 2.864 310 W HA 0.806 5.497 4.660 0.052 0.000 0.343 310 W C 0.379 176.848 176.519 -0.082 0.000 1.109 310 W CA -0.992 56.335 57.345 -0.031 0.000 1.192 310 W CB 1.249 30.702 29.460 -0.011 0.000 1.426 310 W HN 0.289 nan 8.180 nan 0.000 0.529 311 M N 1.591 121.261 119.600 0.117 0.000 2.446 311 M HA 0.785 5.297 4.480 0.052 0.000 0.294 311 M C -0.055 176.232 176.300 -0.022 0.000 1.158 311 M CA -0.944 54.324 55.300 -0.054 0.000 0.899 311 M CB 1.896 34.450 32.600 -0.077 0.000 1.687 311 M HN 0.506 nan 8.290 nan 0.000 0.455 312 G N 2.672 111.335 108.800 -0.229 0.000 2.349 312 G HA2 0.526 4.517 3.960 0.052 0.000 0.281 312 G HA3 0.526 4.517 3.960 0.052 0.000 0.281 312 G C 0.069 175.103 174.900 0.223 0.000 1.182 312 G CA -0.671 44.472 45.100 0.072 0.000 0.899 312 G HN 0.859 nan 8.290 nan 0.000 0.455 313 L N 1.290 122.672 121.223 0.265 0.000 2.664 313 L HA 0.339 4.710 4.340 0.052 0.000 0.233 313 L C 0.226 177.325 176.870 0.382 0.000 1.113 313 L CA 0.122 55.083 54.840 0.201 0.000 0.896 313 L CB 0.450 42.334 42.059 -0.292 0.000 1.163 313 L HN 0.422 nan 8.230 nan 0.000 0.497 314 D N -1.048 119.642 120.400 0.484 0.000 2.622 314 D HA 0.235 4.906 4.640 0.052 0.000 0.255 314 D C -0.984 175.576 176.300 0.432 0.000 1.246 314 D CA -0.514 53.756 54.000 0.449 0.000 0.795 314 D CB 1.835 42.906 40.800 0.451 0.000 1.369 314 D HN 0.033 nan 8.370 nan 0.000 0.425 315 C N 0.732 120.210 119.300 0.296 0.000 2.534 315 C HA 0.996 5.488 4.460 0.052 0.000 0.385 315 C C 1.196 176.201 174.990 0.024 0.000 1.264 315 C CA -0.224 58.861 59.018 0.111 0.000 2.342 315 C CB 0.199 27.921 27.740 -0.030 0.000 2.564 315 C HN 0.493 nan 8.230 nan 0.000 0.603 316 G N 1.574 110.303 108.800 -0.118 0.000 2.543 316 G HA2 0.556 4.548 3.960 0.052 0.000 0.290 316 G HA3 0.556 4.548 3.960 0.052 0.000 0.290 316 G C -1.314 173.500 174.900 -0.143 0.000 1.310 316 G CA -0.684 44.365 45.100 -0.085 0.000 1.025 316 G HN 0.588 nan 8.290 nan 0.000 0.502 317 P HA -0.098 nan 4.420 nan 0.000 0.215 317 P C 1.163 178.370 177.300 -0.153 0.000 1.153 317 P CA 1.195 64.230 63.100 -0.110 0.000 0.853 317 P CB 0.367 32.025 31.700 -0.070 0.000 0.788 318 E N -0.257 119.841 120.200 -0.170 0.000 2.150 318 E HA -0.065 4.317 4.350 0.052 0.000 0.193 318 E C 2.213 178.653 176.600 -0.267 0.000 0.985 318 E CA 1.034 57.325 56.400 -0.182 0.000 0.814 318 E CB -0.685 28.920 29.700 -0.159 0.000 0.752 318 E HN 0.115 nan 8.360 nan 0.000 0.466 319 S N -0.616 114.855 115.700 -0.382 0.000 2.406 319 S HA -0.058 4.444 4.470 0.052 0.000 0.228 319 S C 1.989 176.094 174.600 -0.826 0.000 1.020 319 S CA 0.843 58.661 58.200 -0.637 0.000 0.965 319 S CB -0.100 62.666 63.200 -0.722 0.000 0.798 319 S HN 0.157 nan 8.310 nan 0.000 0.488 320 S N 1.170 116.573 115.700 -0.495 0.000 2.383 320 S HA -0.051 4.451 4.470 0.052 0.000 0.227 320 S C 2.412 176.903 174.600 -0.182 0.000 1.026 320 S CA 1.397 59.413 58.200 -0.306 0.000 0.981 320 S CB -0.354 62.753 63.200 -0.155 0.000 0.818 320 S HN 0.713 nan 8.310 nan 0.000 0.472 321 K N 1.808 122.102 120.400 -0.176 0.000 2.026 321 K HA -0.026 4.325 4.320 0.052 0.000 0.208 321 K C 1.846 178.393 176.600 -0.088 0.000 1.048 321 K CA 1.713 57.934 56.287 -0.109 0.000 0.929 321 K CB -0.783 31.656 32.500 -0.102 0.000 0.713 321 K HN 0.419 nan 8.250 nan 0.000 0.439 322 K N -1.013 119.311 120.400 -0.127 0.000 2.097 322 K HA -0.042 4.310 4.320 0.052 0.000 0.205 322 K C 2.210 178.846 176.600 0.060 0.000 1.050 322 K CA 1.379 57.632 56.287 -0.056 0.000 0.938 322 K CB -0.264 32.187 32.500 -0.081 0.000 0.718 322 K HN 0.417 nan 8.250 nan 0.000 0.442 323 Y N 1.145 121.377 120.300 -0.112 0.000 2.128 323 Y HA -0.231 4.351 4.550 0.053 0.000 0.284 323 Y C 2.846 178.667 175.900 -0.131 0.000 1.154 323 Y CA 1.233 59.251 58.100 -0.138 0.000 1.149 323 Y CB -1.234 37.130 38.460 -0.160 0.000 0.976 323 Y HN 0.147 nan 8.280 nan 0.000 0.505 324 S N -0.246 115.493 115.700 0.064 0.000 2.419 324 S HA -0.202 4.300 4.470 0.052 0.000 0.233 324 S C 1.813 176.404 174.600 -0.014 0.000 1.016 324 S CA 1.520 59.719 58.200 -0.002 0.000 0.974 324 S CB -0.284 62.906 63.200 -0.017 0.000 0.786 324 S HN 0.544 nan 8.310 nan 0.000 0.492 325 E N 0.711 120.906 120.200 -0.008 0.000 2.107 325 E HA 0.121 4.503 4.350 0.052 0.000 0.191 325 E C 2.386 178.976 176.600 -0.018 0.000 0.982 325 E CA 0.857 57.249 56.400 -0.015 0.000 0.809 325 E CB -0.354 29.336 29.700 -0.016 0.000 0.756 325 E HN 0.706 nan 8.360 nan 0.000 0.459 326 A N 0.464 123.273 122.820 -0.018 0.000 1.877 326 A HA -0.151 4.200 4.320 0.052 0.000 0.216 326 A C 2.405 179.959 177.584 -0.049 0.000 1.186 326 A CA 1.201 53.214 52.037 -0.040 0.000 0.620 326 A CB -0.658 18.303 19.000 -0.064 0.000 0.822 326 A HN 0.147 nan 8.150 nan 0.000 0.443 327 V N -0.058 119.821 119.914 -0.060 0.000 2.407 327 V HA -0.241 3.910 4.120 0.052 0.000 0.248 327 V C 3.030 179.106 176.094 -0.030 0.000 1.055 327 V CA 1.792 64.057 62.300 -0.059 0.000 1.049 327 V CB -1.203 30.573 31.823 -0.078 0.000 0.662 327 V HN 0.620 nan 8.190 nan 0.000 0.455 328 A N 0.363 123.168 122.820 -0.024 0.000 1.940 328 A HA -0.235 4.117 4.320 0.052 0.000 0.219 328 A C 2.345 179.924 177.584 -0.009 0.000 1.176 328 A CA 1.886 53.914 52.037 -0.015 0.000 0.631 328 A CB -0.425 18.566 19.000 -0.015 0.000 0.814 328 A HN 0.575 nan 8.150 nan 0.000 0.446 329 R N -0.435 120.060 120.500 -0.010 0.000 2.240 329 R HA 0.274 4.645 4.340 0.052 0.000 0.203 329 R C 0.931 177.235 176.300 0.007 0.000 1.011 329 R CA 0.374 56.472 56.100 -0.003 0.000 1.007 329 R CB -0.313 29.984 30.300 -0.005 0.000 0.911 329 R HN 0.437 nan 8.270 nan 0.000 0.468 330 A N 1.573 124.399 122.820 0.009 0.000 2.425 330 A HA 0.121 4.473 4.320 0.052 0.000 0.249 330 A C 0.602 178.207 177.584 0.036 0.000 1.084 330 A CA -0.060 51.997 52.037 0.033 0.000 0.781 330 A CB 0.549 19.572 19.000 0.037 0.000 1.019 330 A HN 0.109 nan 8.150 nan 0.000 0.490 331 K N -0.042 120.388 120.400 0.050 0.000 2.367 331 K HA 0.119 4.471 4.320 0.052 0.000 0.195 331 K C 0.297 176.916 176.600 0.031 0.000 1.060 331 K CA 0.430 56.735 56.287 0.030 0.000 1.022 331 K CB 0.634 33.145 32.500 0.018 0.000 0.894 331 K HN 0.828 nan 8.250 nan 0.000 0.540 332 Q N 0.662 120.507 119.800 0.075 0.000 2.315 332 Q HA 0.483 4.855 4.340 0.052 0.000 0.273 332 Q C -1.746 174.402 176.000 0.246 0.000 1.053 332 Q CA -0.472 55.374 55.803 0.072 0.000 0.817 332 Q CB 1.961 30.624 28.738 -0.125 0.000 1.326 332 Q HN 0.011 nan 8.270 nan 0.000 0.423 333 I N 2.615 123.313 120.570 0.213 0.000 2.619 333 I HA 0.479 4.680 4.170 0.052 0.000 0.292 333 I C -1.136 175.153 176.117 0.286 0.000 1.100 333 I CA -1.039 60.410 61.300 0.248 0.000 1.043 333 I CB 2.443 40.511 38.000 0.114 0.000 1.239 333 I HN 0.339 nan 8.210 nan 0.000 0.420 334 V N 4.942 125.051 119.914 0.325 0.000 2.483 334 V HA 0.387 4.539 4.120 0.052 0.000 0.297 334 V C -1.451 174.805 176.094 0.270 0.000 1.027 334 V CA -0.372 62.109 62.300 0.301 0.000 0.855 334 V CB 2.120 34.175 31.823 0.387 0.000 0.995 334 V HN 0.626 nan 8.190 nan 0.000 0.424 335 W N 6.521 127.846 121.300 0.041 0.000 2.471 335 W HA 0.543 5.237 4.660 0.057 0.000 0.318 335 W C -0.663 175.864 176.519 0.013 0.000 1.034 335 W CA -1.283 56.062 57.345 0.000 0.000 1.224 335 W CB 1.332 30.780 29.460 -0.021 0.000 1.335 335 W HN 0.532 nan 8.180 nan 0.000 0.452 336 N N 4.230 123.158 118.700 0.379 0.000 2.549 336 N HA 0.477 5.249 4.740 0.052 0.000 0.281 336 N C -0.569 175.017 175.510 0.127 0.000 1.084 336 N CA 0.336 53.459 53.050 0.122 0.000 0.862 336 N CB 1.426 39.989 38.487 0.128 0.000 1.333 336 N HN 0.773 nan 8.380 nan 0.000 0.523 337 G N 3.499 112.281 108.800 -0.030 0.000 2.907 337 G HA2 -0.136 3.855 3.960 0.052 0.000 0.686 337 G HA3 -0.136 3.855 3.960 0.052 0.000 0.686 337 G C -3.258 171.731 174.900 0.149 0.000 1.115 337 G CA -1.026 44.100 45.100 0.045 0.000 0.760 337 G HN 0.383 nan 8.290 nan 0.000 0.620 338 P HA 0.374 nan 4.420 nan 0.000 0.274 338 P C 1.107 178.616 177.300 0.349 0.000 1.237 338 P CA 0.284 63.534 63.100 0.249 0.000 0.793 338 P CB 1.358 33.193 31.700 0.226 0.000 0.977 339 V N -1.628 118.524 119.914 0.396 0.000 3.577 339 V HA 0.541 4.692 4.120 0.052 0.000 0.294 339 V C 0.614 176.910 176.094 0.336 0.000 1.317 339 V CA 0.592 63.081 62.300 0.315 0.000 1.169 339 V CB -0.745 31.251 31.823 0.289 0.000 1.011 339 V HN 0.764 nan 8.190 nan 0.000 0.426 340 G N -0.956 108.063 108.800 0.365 0.000 2.488 340 G HA2 0.451 4.443 3.960 0.052 0.000 0.301 340 G HA3 0.451 4.443 3.960 0.052 0.000 0.301 340 G C -1.152 173.966 174.900 0.362 0.000 1.339 340 G CA -0.203 45.117 45.100 0.368 0.000 0.803 340 G HN 0.197 nan 8.290 nan 0.000 0.482 341 V N 2.384 122.470 119.914 0.286 0.000 2.149 341 V HA 0.133 4.284 4.120 0.052 0.000 0.245 341 V C 1.455 177.610 176.094 0.101 0.000 1.349 341 V CA 0.231 62.574 62.300 0.071 0.000 1.289 341 V CB -1.412 30.328 31.823 -0.137 0.000 1.401 341 V HN 0.661 nan 8.190 nan 0.000 0.501 342 F N 1.173 121.204 119.950 0.135 0.000 2.494 342 F HA -0.064 4.496 4.527 0.055 0.000 0.298 342 F C 1.526 177.409 175.800 0.138 0.000 1.106 342 F CA 0.928 59.063 58.000 0.225 0.000 1.452 342 F CB -0.321 38.849 39.000 0.284 0.000 1.085 342 F HN 0.367 nan 8.300 nan 0.000 0.569 343 E N -0.580 119.116 120.200 -0.840 0.000 2.358 343 E HA -0.053 4.329 4.350 0.052 0.000 0.195 343 E C -0.268 176.269 176.600 -0.104 0.000 1.010 343 E CA 0.573 56.563 56.400 -0.683 0.000 0.856 343 E CB -0.058 29.097 29.700 -0.908 0.000 0.795 343 E HN 0.382 nan 8.360 nan 0.000 0.504 344 W N 0.504 121.818 121.300 0.023 0.000 2.475 344 W HA 0.277 4.970 4.660 0.054 0.000 0.320 344 W C 0.990 177.591 176.519 0.136 0.000 1.022 344 W CA -1.604 55.805 57.345 0.107 0.000 1.240 344 W CB 1.080 30.671 29.460 0.219 0.000 1.328 344 W HN -0.075 nan 8.180 nan 0.000 0.439 345 E N 3.300 123.672 120.200 0.287 0.000 2.136 345 E HA -0.255 4.126 4.350 0.052 0.000 0.202 345 E C 2.089 178.709 176.600 0.034 0.000 1.019 345 E CA 2.653 59.159 56.400 0.176 0.000 0.819 345 E CB 0.033 29.806 29.700 0.122 0.000 0.739 345 E HN 0.446 nan 8.360 nan 0.000 0.458 346 A N -1.100 121.626 122.820 -0.155 0.000 2.125 346 A HA -0.088 4.264 4.320 0.052 0.000 0.219 346 A C 1.223 178.383 177.584 -0.706 0.000 1.156 346 A CA 1.220 52.939 52.037 -0.529 0.000 0.671 346 A CB -0.446 18.033 19.000 -0.868 0.000 0.794 346 A HN 0.334 nan 8.150 nan 0.000 0.459 347 F N -2.402 117.686 119.950 0.230 0.000 2.764 347 F HA 0.486 5.043 4.527 0.051 0.000 0.310 347 F C 1.530 177.476 175.800 0.244 0.000 1.124 347 F CA 0.274 58.416 58.000 0.236 0.000 1.252 347 F CB 0.417 39.577 39.000 0.267 0.000 1.010 347 F HN 0.143 nan 8.300 nan 0.000 0.518 348 A N -0.669 122.343 122.820 0.319 0.000 2.288 348 A HA 0.101 4.453 4.320 0.052 0.000 0.216 348 A C 1.972 179.681 177.584 0.208 0.000 1.199 348 A CA 0.144 52.398 52.037 0.362 0.000 0.891 348 A CB 0.049 19.328 19.000 0.465 0.000 0.923 348 A HN 0.113 nan 8.150 nan 0.000 0.500 349 Q N 0.200 120.073 119.800 0.121 0.000 2.135 349 Q HA -0.144 4.228 4.340 0.052 0.000 0.204 349 Q C 2.043 178.069 176.000 0.043 0.000 0.981 349 Q CA 1.763 57.583 55.803 0.029 0.000 0.856 349 Q CB -1.054 27.694 28.738 0.017 0.000 0.902 349 Q HN 0.596 nan 8.270 nan 0.000 0.425 350 G N 0.283 109.155 108.800 0.120 0.000 2.422 350 G HA2 -0.239 3.752 3.960 0.052 0.000 0.218 350 G HA3 -0.239 3.752 3.960 0.052 0.000 0.218 350 G C 1.425 176.422 174.900 0.162 0.000 1.146 350 G CA 1.428 46.606 45.100 0.130 0.000 0.769 350 G HN 0.365 nan 8.290 nan 0.000 0.547 351 T N 0.532 115.218 114.554 0.221 0.000 2.857 351 T HA 0.003 4.384 4.350 0.052 0.000 0.266 351 T C 2.339 177.127 174.700 0.148 0.000 1.048 351 T CA 1.209 63.496 62.100 0.312 0.000 1.139 351 T CB -0.073 69.062 68.868 0.444 0.000 0.874 351 T HN 0.301 nan 8.240 nan 0.000 0.455 352 K N 1.299 121.612 120.400 -0.145 0.000 2.057 352 K HA 0.106 4.458 4.320 0.052 0.000 0.206 352 K C 2.664 179.141 176.600 -0.204 0.000 1.050 352 K CA 1.091 57.087 56.287 -0.485 0.000 0.935 352 K CB -0.228 31.857 32.500 -0.692 0.000 0.715 352 K HN 0.250 nan 8.250 nan 0.000 0.439 353 A N 1.342 124.103 122.820 -0.099 0.000 1.933 353 A HA -0.143 4.209 4.320 0.052 0.000 0.218 353 A C 2.070 179.638 177.584 -0.026 0.000 1.175 353 A CA 1.091 53.093 52.037 -0.057 0.000 0.628 353 A CB -0.436 18.542 19.000 -0.037 0.000 0.814 353 A HN 0.207 nan 8.150 nan 0.000 0.444 354 L N -1.195 120.028 121.223 -0.000 0.000 2.056 354 L HA -0.090 4.282 4.340 0.052 0.000 0.207 354 L C 2.371 179.217 176.870 -0.040 0.000 1.078 354 L CA 2.524 57.316 54.840 -0.080 0.000 0.749 354 L CB -0.628 41.295 42.059 -0.226 0.000 0.901 354 L HN 0.443 nan 8.230 nan 0.000 0.433 355 M N -0.309 119.389 119.600 0.163 0.000 2.108 355 M HA -0.217 4.295 4.480 0.052 0.000 0.261 355 M C 1.741 178.115 176.300 0.123 0.000 1.066 355 M CA 1.802 57.284 55.300 0.303 0.000 1.107 355 M CB -0.780 32.002 32.600 0.305 0.000 1.356 355 M HN 0.263 nan 8.290 nan 0.000 0.406 356 D N -0.047 120.373 120.400 0.034 0.000 2.149 356 D HA -0.155 4.517 4.640 0.052 0.000 0.198 356 D C 1.978 178.282 176.300 0.007 0.000 0.990 356 D CA 1.181 55.185 54.000 0.006 0.000 0.839 356 D CB -0.209 40.572 40.800 -0.031 0.000 0.948 356 D HN 0.455 nan 8.370 nan 0.000 0.460 357 E N 0.146 120.342 120.200 -0.007 0.000 2.107 357 E HA -0.049 4.332 4.350 0.052 0.000 0.191 357 E C 2.376 178.970 176.600 -0.010 0.000 0.982 357 E CA 0.203 56.591 56.400 -0.019 0.000 0.809 357 E CB -0.148 29.526 29.700 -0.043 0.000 0.756 357 E HN 0.158 nan 8.360 nan 0.000 0.459 358 V N 0.925 120.842 119.914 0.004 0.000 2.548 358 V HA -0.155 3.996 4.120 0.052 0.000 0.249 358 V C 2.453 178.579 176.094 0.053 0.000 1.055 358 V CA 0.875 63.194 62.300 0.033 0.000 1.065 358 V CB -0.204 31.680 31.823 0.100 0.000 0.681 358 V HN 0.048 nan 8.190 nan 0.000 0.462 359 V N -0.373 119.577 119.914 0.060 0.000 2.307 359 V HA -0.249 3.902 4.120 0.052 0.000 0.245 359 V C 2.435 178.545 176.094 0.027 0.000 1.045 359 V CA 1.985 64.314 62.300 0.048 0.000 1.024 359 V CB -0.541 31.312 31.823 0.051 0.000 0.651 359 V HN 0.494 nan 8.190 nan 0.000 0.449 360 K N -0.178 120.233 120.400 0.018 0.000 2.097 360 K HA -0.155 4.197 4.320 0.052 0.000 0.206 360 K C 2.255 178.860 176.600 0.008 0.000 1.049 360 K CA 1.446 57.738 56.287 0.009 0.000 0.933 360 K CB -0.361 32.140 32.500 0.001 0.000 0.717 360 K HN 0.481 nan 8.250 nan 0.000 0.442 361 A N 0.647 123.472 122.820 0.008 0.000 1.933 361 A HA -0.154 4.198 4.320 0.052 0.000 0.218 361 A C 2.147 179.739 177.584 0.013 0.000 1.175 361 A CA 2.044 54.085 52.037 0.007 0.000 0.628 361 A CB -0.881 18.122 19.000 0.005 0.000 0.814 361 A HN 0.276 nan 8.150 nan 0.000 0.444 362 T N -0.218 114.347 114.554 0.018 0.000 2.720 362 T HA -0.123 4.259 4.350 0.052 0.000 0.268 362 T C 2.189 176.897 174.700 0.013 0.000 1.037 362 T CA 1.633 63.743 62.100 0.018 0.000 1.144 362 T CB -0.337 68.543 68.868 0.018 0.000 0.864 362 T HN 0.432 nan 8.240 nan 0.000 0.444 363 S N 1.338 117.045 115.700 0.012 0.000 2.400 363 S HA -0.123 4.379 4.470 0.052 0.000 0.232 363 S C 1.791 176.395 174.600 0.006 0.000 1.025 363 S CA 1.100 59.306 58.200 0.009 0.000 0.993 363 S CB -0.115 63.089 63.200 0.007 0.000 0.808 363 S HN 0.640 nan 8.310 nan 0.000 0.478 364 R N 0.254 120.757 120.500 0.006 0.000 2.480 364 R HA 0.474 4.846 4.340 0.052 0.000 0.277 364 R C 0.933 177.236 176.300 0.004 0.000 1.008 364 R CA 0.585 56.687 56.100 0.004 0.000 1.090 364 R CB -0.595 29.706 30.300 0.002 0.000 1.234 364 R HN 0.132 nan 8.270 nan 0.000 0.549 365 G N -0.458 108.347 108.800 0.007 0.000 2.131 365 G HA2 -0.286 3.706 3.960 0.052 0.000 0.223 365 G HA3 -0.286 3.706 3.960 0.052 0.000 0.223 365 G C 0.010 174.916 174.900 0.010 0.000 0.990 365 G CA -0.131 44.973 45.100 0.007 0.000 0.671 365 G HN 0.523 nan 8.290 nan 0.000 0.521 366 C N 1.289 120.598 119.300 0.014 0.000 2.463 366 C HA 0.724 5.215 4.460 0.052 0.000 0.380 366 C C 0.781 175.786 174.990 0.026 0.000 1.264 366 C CA -1.237 57.792 59.018 0.018 0.000 2.161 366 C CB -0.322 27.430 27.740 0.021 0.000 2.515 366 C HN 0.362 nan 8.230 nan 0.000 0.565 367 I N 6.060 126.646 120.570 0.027 0.000 2.322 367 I HA 0.251 4.452 4.170 0.052 0.000 0.292 367 I C 0.878 177.020 176.117 0.041 0.000 1.060 367 I CA 0.303 61.630 61.300 0.045 0.000 1.309 367 I CB 0.560 38.585 38.000 0.042 0.000 1.415 367 I HN 0.813 nan 8.210 nan 0.000 0.492 368 T N 5.648 120.216 114.554 0.023 0.000 2.770 368 T HA 0.768 5.150 4.350 0.052 0.000 0.283 368 T C -0.210 174.475 174.700 -0.024 0.000 0.988 368 T CA -0.599 61.520 62.100 0.032 0.000 0.957 368 T CB 1.110 70.006 68.868 0.045 0.000 0.930 368 T HN 0.270 nan 8.240 nan 0.000 0.443 369 I N 4.262 124.840 120.570 0.014 0.000 2.389 369 I HA 0.413 4.615 4.170 0.052 0.000 0.288 369 I C -0.459 175.673 176.117 0.025 0.000 0.999 369 I CA -1.272 59.998 61.300 -0.049 0.000 1.129 369 I CB 1.575 39.520 38.000 -0.091 0.000 1.288 369 I HN 0.460 nan 8.210 nan 0.000 0.444 370 I N 4.672 125.205 120.570 -0.061 0.000 2.377 370 I HA 0.432 4.633 4.170 0.052 0.000 0.293 370 I C 0.866 176.950 176.117 -0.054 0.000 0.987 370 I CA -0.322 60.933 61.300 -0.074 0.000 1.185 370 I CB 1.186 39.073 38.000 -0.189 0.000 1.341 370 I HN 0.592 nan 8.210 nan 0.000 0.455 371 G N 3.461 112.261 108.800 -0.001 0.000 2.572 371 G HA2 0.483 4.474 3.960 0.052 0.000 0.261 371 G HA3 0.483 4.474 3.960 0.052 0.000 0.261 371 G C 0.395 175.292 174.900 -0.006 0.000 1.197 371 G CA -0.348 44.808 45.100 0.093 0.000 0.870 371 G HN 0.813 nan 8.290 nan 0.000 0.548 372 G N -1.322 107.514 108.800 0.060 0.000 2.716 372 G HA2 0.560 4.552 3.960 0.052 0.000 0.251 372 G HA3 0.560 4.552 3.960 0.052 0.000 0.251 372 G C 0.916 175.792 174.900 -0.040 0.000 1.224 372 G CA 0.748 45.853 45.100 0.009 0.000 0.891 372 G HN 2.011 nan 8.290 nan 0.000 0.561 373 G N -0.288 108.488 108.800 -0.041 0.000 2.512 373 G HA2 -0.261 3.731 3.960 0.052 0.000 0.240 373 G HA3 -0.261 3.731 3.960 0.052 0.000 0.240 373 G C 0.821 175.668 174.900 -0.088 0.000 1.246 373 G CA 0.625 45.701 45.100 -0.040 0.000 0.919 373 G HN 0.624 nan 8.290 nan 0.000 0.577 374 D N 0.253 120.615 120.400 -0.063 0.000 2.160 374 D HA -0.211 4.461 4.640 0.052 0.000 0.189 374 D C 2.707 178.727 176.300 -0.466 0.000 1.003 374 D CA 3.070 56.993 54.000 -0.127 0.000 0.846 374 D CB -1.123 39.687 40.800 0.015 0.000 0.949 374 D HN 0.707 nan 8.370 nan 0.000 0.446 375 T N 1.157 115.432 114.554 -0.465 0.000 2.653 375 T HA -0.187 4.194 4.350 0.052 0.000 0.268 375 T C 2.149 176.539 174.700 -0.516 0.000 1.035 375 T CA 2.030 63.740 62.100 -0.649 0.000 1.154 375 T CB -0.593 67.878 68.868 -0.663 0.000 0.862 375 T HN 0.276 nan 8.240 nan 0.000 0.441 376 A N 1.484 124.101 122.820 -0.337 0.000 2.019 376 A HA -0.096 4.255 4.320 0.052 0.000 0.219 376 A C 2.548 179.984 177.584 -0.246 0.000 1.164 376 A CA 1.921 53.807 52.037 -0.253 0.000 0.644 376 A CB -1.220 17.682 19.000 -0.162 0.000 0.805 376 A HN 0.550 nan 8.150 nan 0.000 0.449 377 T N -1.178 113.218 114.554 -0.264 0.000 2.904 377 T HA -0.125 4.256 4.350 0.052 0.000 0.267 377 T C 1.817 176.294 174.700 -0.371 0.000 1.059 377 T CA 1.293 63.258 62.100 -0.226 0.000 1.137 377 T CB -0.593 68.221 68.868 -0.090 0.000 0.879 377 T HN 0.573 nan 8.240 nan 0.000 0.467 378 C N 1.022 119.985 119.300 -0.561 0.000 2.422 378 C HA -0.063 4.429 4.460 0.052 0.000 0.279 378 C C 3.071 177.782 174.990 -0.464 0.000 1.305 378 C CA -0.164 58.409 59.018 -0.742 0.000 1.757 378 C CB -1.420 25.984 27.740 -0.561 0.000 1.962 378 C HN 0.651 nan 8.230 nan 0.000 0.499 379 C N 0.614 119.750 119.300 -0.274 0.000 2.440 379 C HA -0.005 4.487 4.460 0.052 0.000 0.278 379 C C 3.070 177.990 174.990 -0.117 0.000 1.295 379 C CA 1.225 60.170 59.018 -0.121 0.000 1.738 379 C CB -1.428 26.230 27.740 -0.136 0.000 1.987 379 C HN 0.713 nan 8.230 nan 0.000 0.492 380 A N 0.755 123.468 122.820 -0.178 0.000 1.930 380 A HA 0.032 4.383 4.320 0.052 0.000 0.215 380 A C 2.319 179.798 177.584 -0.176 0.000 1.176 380 A CA 2.168 54.122 52.037 -0.138 0.000 0.632 380 A CB -0.726 18.200 19.000 -0.124 0.000 0.819 380 A HN 0.551 nan 8.150 nan 0.000 0.445 381 K N -1.348 118.841 120.400 -0.351 0.000 2.097 381 K HA -0.150 4.202 4.320 0.052 0.000 0.206 381 K C 1.339 177.703 176.600 -0.394 0.000 1.049 381 K CA 1.446 57.438 56.287 -0.493 0.000 0.933 381 K CB -0.839 31.116 32.500 -0.909 0.000 0.717 381 K HN 0.806 nan 8.250 nan 0.000 0.442 382 W N 0.698 122.010 121.300 0.020 0.000 2.966 382 W HA 0.255 4.947 4.660 0.053 0.000 0.406 382 W C -0.594 175.931 176.519 0.010 0.000 1.027 382 W CA -0.912 56.447 57.345 0.023 0.000 1.930 382 W CB -1.267 28.213 29.460 0.033 0.000 1.144 382 W HN 0.514 nan 8.180 nan 0.000 0.626 383 N N 0.799 119.572 118.700 0.122 0.000 2.650 383 N HA -0.223 4.549 4.740 0.052 0.000 0.272 383 N C 0.505 176.065 175.510 0.084 0.000 1.058 383 N CA 1.395 54.489 53.050 0.074 0.000 0.765 383 N CB -1.438 37.090 38.487 0.068 0.000 0.902 383 N HN 0.181 nan 8.380 nan 0.000 0.551 384 T N -4.444 110.154 114.554 0.073 0.000 3.144 384 T HA 0.163 4.544 4.350 0.052 0.000 0.290 384 T C 0.951 175.659 174.700 0.014 0.000 0.966 384 T CA -0.400 61.739 62.100 0.065 0.000 0.907 384 T CB 0.321 69.259 68.868 0.116 0.000 1.152 384 T HN 0.280 nan 8.240 nan 0.000 0.532 385 E N 2.590 122.780 120.200 -0.015 0.000 2.219 385 E HA -0.154 4.228 4.350 0.052 0.000 0.198 385 E C 1.288 177.857 176.600 -0.052 0.000 0.998 385 E CA 1.510 57.877 56.400 -0.055 0.000 0.818 385 E CB -0.067 29.595 29.700 -0.063 0.000 0.741 385 E HN 0.775 nan 8.360 nan 0.000 0.477 386 D N -0.807 119.578 120.400 -0.025 0.000 2.368 386 D HA 0.021 4.693 4.640 0.052 0.000 0.218 386 D C 1.200 177.494 176.300 -0.010 0.000 1.112 386 D CA 0.251 54.239 54.000 -0.021 0.000 0.834 386 D CB 0.229 41.022 40.800 -0.010 0.000 0.953 386 D HN 0.069 nan 8.370 nan 0.000 0.505 387 K N 0.351 120.749 120.400 -0.004 0.000 2.358 387 K HA 0.405 4.756 4.320 0.052 0.000 0.200 387 K C 0.981 177.584 176.600 0.005 0.000 1.030 387 K CA 0.560 56.852 56.287 0.010 0.000 1.097 387 K CB -0.082 32.436 32.500 0.030 0.000 0.862 387 K HN 0.271 nan 8.250 nan 0.000 0.534 388 V N -4.159 115.744 119.914 -0.019 0.000 3.155 388 V HA 0.571 4.722 4.120 0.052 0.000 0.313 388 V C 0.986 177.033 176.094 -0.079 0.000 1.162 388 V CA -0.202 62.079 62.300 -0.032 0.000 1.048 388 V CB 1.515 33.318 31.823 -0.035 0.000 1.092 388 V HN 0.026 nan 8.190 nan 0.000 0.447 389 S N -0.100 115.534 115.700 -0.111 0.000 2.357 389 S HA 0.002 4.504 4.470 0.052 0.000 0.221 389 S C 0.411 174.747 174.600 -0.441 0.000 1.031 389 S CA 1.924 60.003 58.200 -0.202 0.000 0.982 389 S CB -0.399 62.708 63.200 -0.155 0.000 0.853 389 S HN 1.060 nan 8.310 nan 0.000 0.458 390 H N -0.696 118.010 119.070 -0.607 0.000 3.029 390 H HA 0.551 5.128 4.556 0.034 0.000 0.358 390 H C -1.861 173.246 175.328 -0.368 0.000 1.129 390 H CA -0.580 55.075 56.048 -0.656 0.000 1.230 390 H CB 1.258 30.297 29.762 -1.205 0.000 1.827 390 H HN -0.087 nan 8.280 nan 0.000 0.530 391 V N 4.163 123.561 119.914 -0.860 0.000 2.376 391 V HA 0.291 4.442 4.120 0.052 0.000 0.287 391 V C 0.344 175.966 176.094 -0.786 0.000 1.015 391 V CA -0.753 61.179 62.300 -0.613 0.000 0.834 391 V CB 1.198 32.821 31.823 -0.334 0.000 1.001 391 V HN 0.887 nan 8.190 nan 0.000 0.428 392 S N 3.031 118.399 115.700 -0.553 0.000 2.549 392 S HA 0.063 4.565 4.470 0.052 0.000 0.286 392 S C 1.506 176.086 174.600 -0.033 0.000 1.314 392 S CA 0.366 58.468 58.200 -0.164 0.000 1.062 392 S CB 0.821 64.176 63.200 0.258 0.000 0.865 392 S HN 1.019 nan 8.310 nan 0.000 0.498 393 T N 1.635 116.238 114.554 0.082 0.000 3.100 393 T HA 0.281 4.663 4.350 0.052 0.000 0.253 393 T C 0.680 175.500 174.700 0.201 0.000 1.118 393 T CA 0.213 62.386 62.100 0.123 0.000 1.058 393 T CB 0.051 69.007 68.868 0.147 0.000 0.953 393 T HN 0.632 nan 8.240 nan 0.000 0.515 394 G N -0.367 108.629 108.800 0.326 0.000 2.675 394 G HA2 0.557 4.548 3.960 0.052 0.000 0.297 394 G HA3 0.557 4.548 3.960 0.052 0.000 0.297 394 G C 0.711 175.657 174.900 0.078 0.000 1.399 394 G CA -0.269 44.944 45.100 0.188 0.000 0.981 394 G HN 0.204 nan 8.290 nan 0.000 0.519 395 G N 2.155 110.955 108.800 -0.001 0.000 2.524 395 G HA2 0.069 4.060 3.960 0.052 0.000 0.215 395 G HA3 0.069 4.060 3.960 0.052 0.000 0.215 395 G C 1.801 176.637 174.900 -0.107 0.000 1.239 395 G CA 1.441 46.526 45.100 -0.026 0.000 0.798 395 G HN 0.929 nan 8.290 nan 0.000 0.557 396 G N 0.992 109.684 108.800 -0.179 0.000 2.418 396 G HA2 0.041 4.033 3.960 0.052 0.000 0.217 396 G HA3 0.041 4.033 3.960 0.052 0.000 0.217 396 G C 2.071 176.641 174.900 -0.550 0.000 1.158 396 G CA 1.692 46.636 45.100 -0.259 0.000 0.771 396 G HN 0.703 nan 8.290 nan 0.000 0.545 397 A N 1.282 123.502 122.820 -0.999 0.000 1.902 397 A HA -0.043 4.308 4.320 0.052 0.000 0.217 397 A C 2.757 180.023 177.584 -0.531 0.000 1.181 397 A CA 2.644 54.073 52.037 -1.013 0.000 0.623 397 A CB -0.784 17.483 19.000 -1.222 0.000 0.818 397 A HN 0.789 nan 8.150 nan 0.000 0.443 398 S N -0.444 115.095 115.700 -0.268 0.000 2.402 398 S HA -0.113 4.388 4.470 0.052 0.000 0.229 398 S C 1.834 176.324 174.600 -0.184 0.000 1.021 398 S CA 1.356 59.460 58.200 -0.160 0.000 0.974 398 S CB -0.514 62.758 63.200 0.121 0.000 0.800 398 S HN 0.499 nan 8.310 nan 0.000 0.484 399 L N 1.939 123.087 121.223 -0.126 0.000 2.109 399 L HA 0.121 4.492 4.340 0.052 0.000 0.207 399 L C 2.332 179.158 176.870 -0.073 0.000 1.086 399 L CA 1.781 56.582 54.840 -0.065 0.000 0.760 399 L CB -0.845 41.188 42.059 -0.045 0.000 0.910 399 L HN 0.288 nan 8.230 nan 0.000 0.437 400 E N -0.451 119.683 120.200 -0.111 0.000 2.150 400 E HA -0.187 4.194 4.350 0.052 0.000 0.193 400 E C 2.285 178.840 176.600 -0.075 0.000 0.985 400 E CA 1.060 57.416 56.400 -0.072 0.000 0.814 400 E CB -0.151 29.515 29.700 -0.056 0.000 0.752 400 E HN 0.524 nan 8.360 nan 0.000 0.466 401 L N 0.647 121.790 121.223 -0.132 0.000 2.072 401 L HA -0.131 4.240 4.340 0.052 0.000 0.205 401 L C 2.380 179.218 176.870 -0.052 0.000 1.079 401 L CA 0.831 55.600 54.840 -0.118 0.000 0.752 401 L CB -0.187 41.720 42.059 -0.254 0.000 0.906 401 L HN 0.187 nan 8.230 nan 0.000 0.436 402 L N -0.696 120.499 121.223 -0.047 0.000 2.362 402 L HA -0.179 4.192 4.340 0.052 0.000 0.219 402 L C 2.175 179.072 176.870 0.045 0.000 1.134 402 L CA 0.910 55.780 54.840 0.051 0.000 0.807 402 L CB -0.368 41.745 42.059 0.090 0.000 0.927 402 L HN 0.335 nan 8.230 nan 0.000 0.447 403 E N -0.088 120.122 120.200 0.016 0.000 2.299 403 E HA -0.018 4.363 4.350 0.052 0.000 0.193 403 E C 1.410 178.023 176.600 0.021 0.000 0.998 403 E CA 0.591 57.002 56.400 0.018 0.000 0.851 403 E CB 0.182 29.886 29.700 0.006 0.000 0.795 403 E HN 0.550 nan 8.360 nan 0.000 0.492 404 G N 1.802 110.613 108.800 0.019 0.000 2.148 404 G HA2 -0.231 3.761 3.960 0.052 0.000 0.203 404 G HA3 -0.231 3.761 3.960 0.052 0.000 0.203 404 G C -0.012 174.895 174.900 0.013 0.000 0.993 404 G CA -0.098 45.016 45.100 0.024 0.000 0.661 404 G HN 0.096 nan 8.290 nan 0.000 0.518 405 K N -0.215 120.185 120.400 0.001 0.000 2.107 405 K HA 0.616 4.968 4.320 0.052 0.000 0.251 405 K C 0.417 177.015 176.600 -0.005 0.000 1.012 405 K CA -0.602 55.683 56.287 -0.003 0.000 0.920 405 K CB 1.747 34.241 32.500 -0.010 0.000 1.033 405 K HN 0.018 nan 8.250 nan 0.000 0.478 406 V N 3.232 123.144 119.914 -0.004 0.000 2.407 406 V HA 0.122 4.273 4.120 0.052 0.000 0.278 406 V C -0.476 175.611 176.094 -0.011 0.000 1.037 406 V CA -0.759 61.540 62.300 -0.001 0.000 0.900 406 V CB 0.882 32.706 31.823 0.002 0.000 0.983 406 V HN 0.445 nan 8.190 nan 0.000 0.459 407 L N 9.089 130.304 121.223 -0.013 0.000 2.313 407 L HA 0.335 4.707 4.340 0.052 0.000 0.282 407 L C -1.293 175.564 176.870 -0.022 0.000 1.092 407 L CA -1.548 53.275 54.840 -0.029 0.000 0.831 407 L CB 0.859 42.886 42.059 -0.054 0.000 1.159 407 L HN 0.384 nan 8.230 nan 0.000 0.442 408 P HA -0.145 nan 4.420 nan 0.000 0.216 408 P C 1.394 178.683 177.300 -0.019 0.000 1.153 408 P CA 1.449 64.528 63.100 -0.035 0.000 0.858 408 P CB 0.302 31.964 31.700 -0.063 0.000 0.789 409 G N -0.807 107.980 108.800 -0.021 0.000 2.403 409 G HA2 -0.165 3.826 3.960 0.052 0.000 0.216 409 G HA3 -0.165 3.826 3.960 0.052 0.000 0.216 409 G C 1.602 176.534 174.900 0.053 0.000 1.154 409 G CA 0.452 45.564 45.100 0.019 0.000 0.784 409 G HN 0.164 nan 8.290 nan 0.000 0.538 410 V N 0.967 120.907 119.914 0.044 0.000 2.379 410 V HA -0.127 4.025 4.120 0.052 0.000 0.245 410 V C 2.422 178.548 176.094 0.054 0.000 1.044 410 V CA 2.167 64.511 62.300 0.072 0.000 1.036 410 V CB -0.341 31.533 31.823 0.085 0.000 0.664 410 V HN 0.354 nan 8.190 nan 0.000 0.453 411 D N 0.280 120.700 120.400 0.033 0.000 2.144 411 D HA -0.132 4.540 4.640 0.052 0.000 0.199 411 D C 2.075 178.389 176.300 0.023 0.000 0.984 411 D CA 1.329 55.343 54.000 0.024 0.000 0.834 411 D CB -0.116 40.690 40.800 0.010 0.000 0.955 411 D HN 0.388 nan 8.370 nan 0.000 0.465 412 A N -0.028 122.806 122.820 0.024 0.000 2.067 412 A HA 0.016 4.368 4.320 0.052 0.000 0.219 412 A C 1.099 178.706 177.584 0.039 0.000 1.158 412 A CA 0.301 52.348 52.037 0.016 0.000 0.661 412 A CB -0.497 18.503 19.000 -0.001 0.000 0.801 412 A HN 0.262 nan 8.150 nan 0.000 0.452 413 L N 0.962 122.225 121.223 0.067 0.000 2.483 413 L HA 0.076 4.447 4.340 0.052 0.000 0.275 413 L C 0.484 177.385 176.870 0.052 0.000 1.220 413 L CA -0.452 54.438 54.840 0.082 0.000 0.833 413 L CB 0.586 42.694 42.059 0.082 0.000 1.102 413 L HN 0.174 nan 8.230 nan 0.000 0.490 414 S N 1.628 117.359 115.700 0.052 0.000 2.585 414 S HA 0.148 4.649 4.470 0.052 0.000 0.273 414 S C 0.043 174.659 174.600 0.027 0.000 1.339 414 S CA -0.751 57.469 58.200 0.034 0.000 1.028 414 S CB 0.524 63.744 63.200 0.033 0.000 0.906 414 S HN 0.498 nan 8.310 nan 0.000 0.528 415 N N 1.041 119.753 118.700 0.020 0.000 2.476 415 N HA 0.489 5.261 4.740 0.052 0.000 0.275 415 N C 0.292 175.810 175.510 0.013 0.000 1.190 415 N CA -0.177 52.882 53.050 0.016 0.000 0.977 415 N CB 0.978 39.473 38.487 0.013 0.000 1.200 415 N HN 0.726 nan 8.380 nan 0.000 0.515 416 V N 0.000 119.920 119.914 0.010 0.000 2.409 416 V HA 0.000 4.151 4.120 0.052 0.000 0.244 416 V CA 0.000 62.305 62.300 0.008 0.000 1.235 416 V CB 0.000 31.828 31.823 0.007 0.000 1.184 416 V HN 0.000 nan 8.190 nan 0.000 0.556