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 3p0w_1_D DATA FIRST_RESID 5 DATA SEQUENCE THTPRVTEMQ VIPVAGRDSM LLNLCGAHAP FFTRNLVILK DNAGRTGVGE DATA SEQUENCE VPGGEGIRQA LERVIPLVVG QSIGRTNGVL SSIRRALAXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXR MDNVITAVEA ALLDLLGQFL EVPVAELLGA DATA SEQUENCE GQQRDSAPML AYLFYVGDRR KTDLPYLEGA NGADDWLRLR HEAAMTPAAI DATA SEQUENCE ARLAEAATER YGFADFKLKG GVMPGAEEME AIAAIKARFP HARVTLDPNG DATA SEQUENCE AWSLNEAIAL CKGQGHLVAY AEDPCGPEAG YSGREVMAEF KRATGIPTAT DATA SEQUENCE NMIATDWRQM GHAVQLHAVD IPLADPHFWT MQGSVRVAQL CDEWGLTWGS DATA SEQUENCE HSNNHFDVSL AMFTHVAAAA PGNITAIDTH WIWQEAQERL TREPLRIQGG DATA SEQUENCE HVAVPERPGL GIEIDMDRVM AAHALYKTLG PGARDDAMAM QYLVPGWTYD DATA SEQUENCE PKRPSL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.501 174.700 -0.331 0.000 1.109 5 T CA 0.000 61.963 62.100 -0.229 0.000 1.349 5 T CB 0.000 68.834 68.868 -0.056 0.000 0.612 6 H N 1.224 120.302 119.070 0.013 0.000 2.502 6 H HA 0.496 5.052 4.556 0.000 0.000 0.338 6 H C 0.664 175.974 175.328 -0.030 0.000 1.155 6 H CA -0.501 55.547 56.048 0.000 0.000 1.237 6 H CB 1.404 31.157 29.762 -0.016 0.000 1.534 6 H HN 0.822 nan 8.280 nan 0.000 0.523 7 T N 0.796 115.396 114.554 0.078 0.000 2.946 7 T HA 0.047 4.397 4.350 0.000 0.000 0.312 7 T C -2.378 172.199 174.700 -0.205 0.000 1.066 7 T CA -1.133 60.903 62.100 -0.106 0.000 1.138 7 T CB -0.170 68.663 68.868 -0.058 0.000 1.014 7 T HN 0.279 nan 8.240 nan 0.000 0.544 8 P HA 0.299 nan 4.420 nan 0.000 0.269 8 P C -0.091 177.078 177.300 -0.219 0.000 1.215 8 P CA -0.339 62.569 63.100 -0.320 0.000 0.780 8 P CB 0.454 31.876 31.700 -0.464 0.000 0.898 9 R N 0.604 121.019 120.500 -0.141 0.000 2.854 9 R HA 0.546 4.886 4.340 0.000 0.000 0.271 9 R C -0.864 175.382 176.300 -0.090 0.000 0.996 9 R CA -1.265 54.772 56.100 -0.105 0.000 0.961 9 R CB 1.398 31.650 30.300 -0.079 0.000 1.182 9 R HN 0.169 nan 8.270 nan 0.000 0.479 10 V N 1.497 121.366 119.914 -0.076 0.000 2.637 10 V HA 0.024 4.144 4.120 0.000 0.000 0.296 10 V C 1.253 177.314 176.094 -0.055 0.000 1.046 10 V CA 0.575 62.837 62.300 -0.064 0.000 1.066 10 V CB 1.246 33.035 31.823 -0.057 0.000 0.968 10 V HN 1.083 nan 8.190 nan 0.000 0.483 11 T N 0.190 114.714 114.554 -0.050 0.000 2.959 11 T HA 0.310 4.660 4.350 0.000 0.000 0.254 11 T C 0.196 174.872 174.700 -0.040 0.000 1.003 11 T CA -0.165 61.909 62.100 -0.043 0.000 0.950 11 T CB 0.245 69.089 68.868 -0.040 0.000 1.090 11 T HN 0.743 nan 8.240 nan 0.000 0.503 12 E N 0.611 120.785 120.200 -0.042 0.000 2.372 12 E HA 0.591 4.941 4.350 0.000 0.000 0.279 12 E C -1.692 174.881 176.600 -0.046 0.000 0.946 12 E CA -0.902 55.473 56.400 -0.042 0.000 0.769 12 E CB 2.413 32.089 29.700 -0.040 0.000 1.230 12 E HN 0.223 nan 8.360 nan 0.000 0.442 13 M N 2.080 121.651 119.600 -0.047 0.000 2.183 13 M HA 0.248 4.728 4.480 0.000 0.000 0.277 13 M C -1.941 174.324 176.300 -0.058 0.000 0.995 13 M CA -0.178 55.091 55.300 -0.052 0.000 0.969 13 M CB 1.836 34.408 32.600 -0.048 0.000 1.659 13 M HN 0.503 nan 8.290 nan 0.000 0.462 14 Q N 2.993 122.752 119.800 -0.069 0.000 2.274 14 Q HA 0.686 5.026 4.340 0.000 0.000 0.260 14 Q C -1.182 174.760 176.000 -0.096 0.000 0.974 14 Q CA -1.009 54.742 55.803 -0.086 0.000 0.876 14 Q CB 3.004 31.681 28.738 -0.101 0.000 1.297 14 Q HN 0.585 nan 8.270 nan 0.000 0.446 15 V N 3.925 123.776 119.914 -0.105 0.000 2.417 15 V HA 0.506 4.626 4.120 0.000 0.000 0.291 15 V C -0.429 175.569 176.094 -0.160 0.000 1.024 15 V CA -0.523 61.710 62.300 -0.112 0.000 0.861 15 V CB 1.184 32.956 31.823 -0.085 0.000 0.985 15 V HN 0.646 nan 8.190 nan 0.000 0.436 16 I N 6.520 126.977 120.570 -0.188 0.000 2.497 16 I HA 0.377 4.547 4.170 0.000 0.000 0.284 16 I C -2.769 173.206 176.117 -0.238 0.000 1.060 16 I CA -1.909 59.228 61.300 -0.271 0.000 1.071 16 I CB 2.688 40.500 38.000 -0.313 0.000 1.216 16 I HN 0.405 nan 8.210 nan 0.000 0.442 17 P HA 0.191 nan 4.420 nan 0.000 0.276 17 P C -0.725 176.372 177.300 -0.339 0.000 1.230 17 P CA -0.194 62.589 63.100 -0.528 0.000 0.776 17 P CB 1.048 31.933 31.700 -1.358 0.000 0.888 18 V N -0.362 119.401 119.914 -0.252 0.000 3.040 18 V HA 0.977 5.097 4.120 0.000 0.000 0.312 18 V C -0.841 175.267 176.094 0.024 0.000 1.115 18 V CA -1.437 60.791 62.300 -0.120 0.000 0.998 18 V CB 1.819 33.449 31.823 -0.321 0.000 1.042 18 V HN 0.615 nan 8.190 nan 0.000 0.433 19 A N 1.154 124.031 122.820 0.095 0.000 2.454 19 A HA 1.071 5.391 4.320 0.000 0.000 0.302 19 A C -0.028 177.618 177.584 0.103 0.000 1.079 19 A CA -0.120 51.963 52.037 0.078 0.000 0.731 19 A CB 1.747 20.801 19.000 0.091 0.000 1.299 19 A HN 2.097 nan 8.150 nan 0.000 0.413 20 G N 0.044 108.697 108.800 -0.245 0.000 2.766 20 G HA2 0.642 4.602 3.960 0.000 0.000 0.288 20 G HA3 0.642 4.602 3.960 0.000 0.000 0.288 20 G C -1.058 173.892 174.900 0.083 0.000 1.408 20 G CA -0.867 44.167 45.100 -0.109 0.000 0.852 20 G HN 0.781 nan 8.290 nan 0.000 0.487 21 R N -0.408 120.246 120.500 0.257 0.000 2.598 21 R HA 0.637 4.977 4.340 0.000 0.000 0.279 21 R C -1.402 175.063 176.300 0.276 0.000 0.984 21 R CA -0.662 55.535 56.100 0.161 0.000 0.999 21 R CB 1.854 32.169 30.300 0.025 0.000 1.114 21 R HN 0.484 nan 8.270 nan 0.000 0.493 22 D N -0.494 119.991 120.400 0.141 0.000 2.661 22 D HA 0.279 4.919 4.640 0.000 0.000 0.228 22 D C -0.889 175.477 176.300 0.111 0.000 1.183 22 D CA -0.373 53.693 54.000 0.111 0.000 0.844 22 D CB 2.000 42.869 40.800 0.115 0.000 1.555 22 D HN 0.362 nan 8.370 nan 0.000 0.453 23 S N 1.203 116.903 115.700 0.000 0.000 2.624 23 S HA 0.188 4.658 4.470 0.000 0.000 0.263 23 S C 0.844 175.296 174.600 -0.248 0.000 1.287 23 S CA -0.632 57.529 58.200 -0.065 0.000 0.990 23 S CB 0.614 63.730 63.200 -0.140 0.000 0.950 23 S HN 0.593 nan 8.310 nan 0.000 0.561 24 M N 2.589 121.876 119.600 -0.521 0.000 3.705 24 M HA 0.153 4.633 4.480 0.000 0.000 0.191 24 M C -1.219 174.802 176.300 -0.466 0.000 1.570 24 M CA -0.053 54.874 55.300 -0.622 0.000 1.714 24 M CB -1.049 30.900 32.600 -1.085 0.000 1.148 24 M HN 0.443 nan 8.290 nan 0.000 0.547 25 L N 2.563 123.416 121.223 -0.617 0.000 2.410 25 L HA 0.147 4.487 4.340 0.000 0.000 0.273 25 L C -0.279 176.329 176.870 -0.438 0.000 1.144 25 L CA -0.622 53.718 54.840 -0.832 0.000 0.863 25 L CB 0.029 40.988 42.059 -1.834 0.000 1.140 25 L HN 0.313 nan 8.230 nan 0.000 0.463 26 L N 4.008 125.134 121.223 -0.163 0.000 2.399 26 L HA 0.441 4.781 4.340 0.000 0.000 0.266 26 L C 0.087 177.024 176.870 0.111 0.000 1.114 26 L CA 0.166 54.996 54.840 -0.016 0.000 0.804 26 L CB 1.193 43.267 42.059 0.025 0.000 1.146 26 L HN 0.890 nan 8.230 nan 0.000 0.451 27 N N 0.073 118.833 118.700 0.101 0.000 3.378 27 N HA 0.220 4.960 4.740 0.000 0.000 0.294 27 N C 0.131 175.737 175.510 0.159 0.000 1.544 27 N CA -0.851 52.289 53.050 0.150 0.000 0.872 27 N CB 0.317 38.929 38.487 0.208 0.000 1.670 27 N HN 0.325 nan 8.380 nan 0.000 0.551 28 L N -0.466 120.876 121.223 0.197 0.000 2.131 28 L HA -0.037 4.303 4.340 0.000 0.000 0.210 28 L C 0.679 177.840 176.870 0.485 0.000 1.092 28 L CA 1.247 56.264 54.840 0.295 0.000 0.759 28 L CB -0.293 41.924 42.059 0.263 0.000 0.903 28 L HN 0.751 nan 8.230 nan 0.000 0.435 29 C N 0.069 119.585 119.300 0.360 0.000 2.613 29 C HA 0.408 4.868 4.460 0.000 0.000 0.273 29 C C 1.353 176.522 174.990 0.298 0.000 1.304 29 C CA 0.222 59.474 59.018 0.390 0.000 1.702 29 C CB -1.426 26.378 27.740 0.107 0.000 1.792 29 C HN 0.850 nan 8.230 nan 0.000 0.588 30 G N 0.347 109.121 108.800 -0.043 0.000 2.456 30 G HA2 0.342 4.302 3.960 0.000 0.000 0.204 30 G HA3 0.342 4.302 3.960 0.000 0.000 0.204 30 G C -0.864 173.885 174.900 -0.252 0.000 1.193 30 G CA 0.111 44.865 45.100 -0.577 0.000 1.220 30 G HN 1.017 nan 8.290 nan 0.000 0.565 31 A N -0.536 122.193 122.820 -0.151 0.000 2.422 31 A HA 0.790 5.110 4.320 0.000 0.000 0.302 31 A C -0.297 177.342 177.584 0.091 0.000 1.041 31 A CA -0.297 51.714 52.037 -0.043 0.000 0.708 31 A CB 0.710 19.655 19.000 -0.092 0.000 1.257 31 A HN 0.919 nan 8.150 nan 0.000 0.414 32 H N 0.929 119.939 119.070 -0.100 0.000 2.972 32 H HA 0.258 4.814 4.556 0.000 0.000 0.343 32 H C 1.022 176.392 175.328 0.070 0.000 1.054 32 H CA 0.528 56.538 56.048 -0.062 0.000 1.412 32 H CB 0.978 30.630 29.762 -0.184 0.000 1.385 32 H HN 0.859 nan 8.280 nan 0.000 0.600 33 A N 4.803 127.709 122.820 0.143 0.000 2.332 33 A HA 0.130 4.450 4.320 0.000 0.000 0.258 33 A C -1.369 176.226 177.584 0.019 0.000 1.087 33 A CA -1.362 50.730 52.037 0.092 0.000 0.802 33 A CB 0.106 19.149 19.000 0.071 0.000 1.042 33 A HN 0.530 nan 8.150 nan 0.000 0.489 34 P HA -0.056 nan 4.420 nan 0.000 0.221 34 P C -0.397 176.509 177.300 -0.657 0.000 1.145 34 P CA 1.294 63.965 63.100 -0.715 0.000 0.795 34 P CB -0.029 30.956 31.700 -1.192 0.000 0.775 35 F N -1.159 118.797 119.950 0.009 0.000 2.546 35 F HA 0.512 5.039 4.527 0.000 0.000 0.320 35 F C 0.187 176.080 175.800 0.155 0.000 1.076 35 F CA -1.400 56.637 58.000 0.062 0.000 0.928 35 F CB 1.185 40.171 39.000 -0.023 0.000 1.189 35 F HN -0.264 nan 8.300 nan 0.000 0.465 36 F N -0.718 119.357 119.950 0.209 0.000 2.593 36 F HA 0.905 5.432 4.527 0.000 0.000 0.320 36 F C -0.604 175.329 175.800 0.221 0.000 1.060 36 F CA -1.181 56.899 58.000 0.133 0.000 0.940 36 F CB 1.436 40.454 39.000 0.031 0.000 1.268 36 F HN 0.476 nan 8.300 nan 0.000 0.475 37 T N 0.391 115.072 114.554 0.210 0.000 2.887 37 T HA 0.816 5.166 4.350 0.000 0.000 0.288 37 T C -0.761 174.100 174.700 0.269 0.000 1.021 37 T CA -0.971 61.240 62.100 0.186 0.000 1.000 37 T CB 1.991 71.024 68.868 0.275 0.000 1.034 37 T HN 0.815 nan 8.240 nan 0.000 0.467 38 R N 1.931 122.572 120.500 0.234 0.000 2.808 38 R HA 0.507 4.847 4.340 0.000 0.000 0.272 38 R C -1.020 175.301 176.300 0.035 0.000 0.995 38 R CA -0.912 55.314 56.100 0.211 0.000 0.917 38 R CB 1.616 32.157 30.300 0.402 0.000 1.217 38 R HN 0.684 nan 8.270 nan 0.000 0.471 39 N N 1.373 120.080 118.700 0.011 0.000 2.408 39 N HA 0.300 5.040 4.740 0.000 0.000 0.280 39 N C -0.754 174.725 175.510 -0.053 0.000 1.002 39 N CA -0.608 52.405 53.050 -0.061 0.000 0.907 39 N CB 1.659 40.111 38.487 -0.058 0.000 1.161 39 N HN 0.180 nan 8.380 nan 0.000 0.488 40 L N 2.182 123.345 121.223 -0.099 0.000 2.325 40 L HA 0.465 4.805 4.340 0.000 0.000 0.279 40 L C -0.302 176.514 176.870 -0.090 0.000 1.054 40 L CA -0.645 54.139 54.840 -0.092 0.000 0.804 40 L CB 1.728 43.707 42.059 -0.132 0.000 1.200 40 L HN 0.186 nan 8.230 nan 0.000 0.436 41 V N 5.134 125.005 119.914 -0.071 0.000 2.540 41 V HA 0.513 4.633 4.120 0.000 0.000 0.302 41 V C -0.286 175.766 176.094 -0.069 0.000 1.035 41 V CA -0.502 61.755 62.300 -0.071 0.000 0.873 41 V CB 1.872 33.660 31.823 -0.058 0.000 0.992 41 V HN 0.496 nan 8.190 nan 0.000 0.428 42 I N 6.163 126.690 120.570 -0.072 0.000 2.418 42 I HA 0.503 4.673 4.170 0.000 0.000 0.287 42 I C -0.784 175.298 176.117 -0.058 0.000 1.008 42 I CA -0.374 60.886 61.300 -0.065 0.000 1.104 42 I CB 1.676 39.633 38.000 -0.072 0.000 1.264 42 I HN 0.298 nan 8.210 nan 0.000 0.438 43 L N 6.203 127.395 121.223 -0.052 0.000 2.342 43 L HA 0.607 4.947 4.340 0.000 0.000 0.271 43 L C -0.403 176.441 176.870 -0.045 0.000 1.008 43 L CA -0.849 53.962 54.840 -0.049 0.000 0.818 43 L CB 2.183 44.212 42.059 -0.049 0.000 1.296 43 L HN 0.521 nan 8.230 nan 0.000 0.427 44 K N 0.945 121.318 120.400 -0.044 0.000 2.328 44 K HA 0.473 4.793 4.320 0.000 0.000 0.246 44 K C -1.404 175.168 176.600 -0.047 0.000 0.955 44 K CA -0.870 55.393 56.287 -0.041 0.000 0.817 44 K CB 2.255 34.734 32.500 -0.036 0.000 1.208 44 K HN 0.624 nan 8.250 nan 0.000 0.432 45 D N -0.486 119.884 120.400 -0.050 0.000 2.467 45 D HA 0.058 4.698 4.640 0.000 0.000 0.245 45 D C 0.519 176.786 176.300 -0.055 0.000 1.038 45 D CA -0.685 53.276 54.000 -0.065 0.000 1.038 45 D CB 0.353 41.097 40.800 -0.093 0.000 1.278 45 D HN 0.505 nan 8.370 nan 0.000 0.564 46 N N -0.138 118.524 118.700 -0.063 0.000 2.519 46 N HA -0.149 4.591 4.740 0.000 0.000 0.186 46 N C 1.115 176.605 175.510 -0.034 0.000 1.062 46 N CA 0.921 53.944 53.050 -0.046 0.000 0.910 46 N CB -0.371 38.088 38.487 -0.046 0.000 0.958 46 N HN 0.470 nan 8.380 nan 0.000 0.445 47 A N -0.320 122.477 122.820 -0.038 0.000 2.275 47 A HA 0.499 4.819 4.320 0.000 0.000 0.212 47 A C 1.671 179.253 177.584 -0.004 0.000 1.201 47 A CA 0.531 52.560 52.037 -0.013 0.000 0.843 47 A CB -0.450 18.549 19.000 -0.002 0.000 0.873 47 A HN 0.505 nan 8.150 nan 0.000 0.492 48 G N -0.602 108.190 108.800 -0.014 0.000 2.175 48 G HA2 -0.256 3.704 3.960 0.000 0.000 0.244 48 G HA3 -0.256 3.704 3.960 0.000 0.000 0.244 48 G C 0.414 175.310 174.900 -0.007 0.000 0.982 48 G CA 0.165 45.260 45.100 -0.009 0.000 0.641 48 G HN 0.624 nan 8.290 nan 0.000 0.527 49 R N 0.542 121.038 120.500 -0.006 0.000 2.734 49 R HA 0.490 4.830 4.340 0.000 0.000 0.266 49 R C -0.157 176.134 176.300 -0.015 0.000 1.044 49 R CA 0.905 57.003 56.100 -0.002 0.000 1.128 49 R CB 0.359 30.663 30.300 0.007 0.000 1.010 49 R HN 0.171 nan 8.270 nan 0.000 0.461 50 T N 0.502 115.048 114.554 -0.013 0.000 2.824 50 T HA 0.490 4.840 4.350 0.000 0.000 0.282 50 T C -0.239 174.447 174.700 -0.024 0.000 0.993 50 T CA -0.779 61.308 62.100 -0.022 0.000 0.967 50 T CB 1.975 70.831 68.868 -0.020 0.000 0.960 50 T HN 0.716 nan 8.240 nan 0.000 0.441 51 G N 1.288 110.068 108.800 -0.033 0.000 2.495 51 G HA2 0.686 4.646 3.960 0.000 0.000 0.318 51 G HA3 0.686 4.646 3.960 0.000 0.000 0.318 51 G C -1.261 173.613 174.900 -0.044 0.000 1.257 51 G CA -0.599 44.478 45.100 -0.038 0.000 0.962 51 G HN 0.702 nan 8.290 nan 0.000 0.483 52 V N 0.131 120.017 119.914 -0.046 0.000 3.007 52 V HA 0.967 5.087 4.120 0.000 0.000 0.311 52 V C 0.428 176.492 176.094 -0.050 0.000 1.120 52 V CA -0.405 61.867 62.300 -0.047 0.000 0.980 52 V CB 2.021 33.819 31.823 -0.041 0.000 1.033 52 V HN 1.189 nan 8.190 nan 0.000 0.429 53 G N 1.011 109.782 108.800 -0.047 0.000 2.660 53 G HA2 0.720 4.680 3.960 0.000 0.000 0.294 53 G HA3 0.720 4.680 3.960 0.000 0.000 0.294 53 G C -1.802 173.086 174.900 -0.020 0.000 1.369 53 G CA -0.380 44.694 45.100 -0.043 0.000 0.912 53 G HN 0.728 nan 8.290 nan 0.000 0.479 54 E N -0.675 119.535 120.200 0.017 0.000 2.317 54 E HA 0.688 5.038 4.350 0.000 0.000 0.270 54 E C -0.805 175.873 176.600 0.130 0.000 0.885 54 E CA -0.778 55.663 56.400 0.067 0.000 0.760 54 E CB 2.604 32.377 29.700 0.122 0.000 1.227 54 E HN 0.703 nan 8.360 nan 0.000 0.434 55 V N -0.548 119.428 119.914 0.102 0.000 3.181 55 V HA 0.636 4.756 4.120 0.000 0.000 0.307 55 V C -2.820 173.299 176.094 0.041 0.000 1.310 55 V CA -2.529 59.835 62.300 0.106 0.000 1.067 55 V CB 1.079 32.925 31.823 0.039 0.000 1.081 55 V HN 0.569 nan 8.190 nan 0.000 0.453 56 P HA 0.244 nan 4.420 nan 0.000 0.266 56 P C 0.291 177.627 177.300 0.059 0.000 1.193 56 P CA 1.069 64.195 63.100 0.042 0.000 0.770 56 P CB 0.218 31.924 31.700 0.010 0.000 0.836 57 G N 1.066 109.932 108.800 0.110 0.000 2.616 57 G HA2 0.540 4.500 3.960 0.000 0.000 0.268 57 G HA3 0.540 4.500 3.960 0.000 0.000 0.268 57 G C -0.144 174.809 174.900 0.088 0.000 1.213 57 G CA -0.067 45.092 45.100 0.099 0.000 0.926 57 G HN 0.788 nan 8.290 nan 0.000 0.523 58 G N -0.846 108.011 108.800 0.094 0.000 2.397 58 G HA2 0.198 4.158 3.960 0.000 0.000 0.453 58 G HA3 0.198 4.158 3.960 0.000 0.000 0.453 58 G C 0.050 174.992 174.900 0.070 0.000 1.579 58 G CA 0.386 45.538 45.100 0.086 0.000 0.906 58 G HN 0.710 nan 8.290 nan 0.000 0.675 59 E N 1.082 121.334 120.200 0.086 0.000 2.106 59 E HA 0.020 4.370 4.350 0.000 0.000 0.192 59 E C 2.520 179.143 176.600 0.038 0.000 0.984 59 E CA 2.688 59.132 56.400 0.074 0.000 0.806 59 E CB -0.478 29.270 29.700 0.081 0.000 0.750 59 E HN 0.829 nan 8.360 nan 0.000 0.458 60 G N 0.785 109.604 108.800 0.031 0.000 2.440 60 G HA2 -0.243 3.717 3.960 0.000 0.000 0.218 60 G HA3 -0.243 3.717 3.960 0.000 0.000 0.218 60 G C 1.675 176.578 174.900 0.005 0.000 1.154 60 G CA 1.048 46.159 45.100 0.017 0.000 0.767 60 G HN 0.324 nan 8.290 nan 0.000 0.552 61 I N -0.046 120.525 120.570 0.003 0.000 2.202 61 I HA -0.115 4.055 4.170 0.000 0.000 0.242 61 I C 2.834 178.940 176.117 -0.020 0.000 1.091 61 I CA 1.092 62.383 61.300 -0.015 0.000 1.368 61 I CB -0.280 37.707 38.000 -0.021 0.000 1.058 61 I HN 0.120 nan 8.210 nan 0.000 0.410 62 R N 1.028 121.519 120.500 -0.016 0.000 2.083 62 R HA -0.221 4.119 4.340 0.000 0.000 0.237 62 R C 2.287 178.575 176.300 -0.020 0.000 1.137 62 R CA 1.757 57.840 56.100 -0.029 0.000 0.951 62 R CB -0.165 30.116 30.300 -0.031 0.000 0.851 62 R HN 0.433 nan 8.270 nan 0.000 0.434 63 Q N -0.370 119.427 119.800 -0.005 0.000 2.084 63 Q HA -0.131 4.209 4.340 0.000 0.000 0.202 63 Q C 2.166 178.160 176.000 -0.011 0.000 0.978 63 Q CA 1.598 57.399 55.803 -0.004 0.000 0.844 63 Q CB -0.129 28.612 28.738 0.005 0.000 0.898 63 Q HN 0.448 nan 8.270 nan 0.000 0.426 64 A N 1.004 123.817 122.820 -0.012 0.000 1.883 64 A HA -0.205 4.115 4.320 0.000 0.000 0.217 64 A C 2.080 179.651 177.584 -0.022 0.000 1.186 64 A CA 1.318 53.345 52.037 -0.016 0.000 0.624 64 A CB -0.821 18.168 19.000 -0.018 0.000 0.822 64 A HN 0.302 nan 8.150 nan 0.000 0.444 65 L N -0.797 120.409 121.223 -0.028 0.000 2.017 65 L HA -0.196 4.144 4.340 0.000 0.000 0.208 65 L C 2.766 179.616 176.870 -0.033 0.000 1.073 65 L CA 1.425 56.245 54.840 -0.034 0.000 0.745 65 L CB -0.583 41.451 42.059 -0.042 0.000 0.894 65 L HN 0.373 nan 8.230 nan 0.000 0.432 66 E N 0.111 120.293 120.200 -0.031 0.000 2.070 66 E HA -0.291 4.059 4.350 0.000 0.000 0.197 66 E C 2.217 178.803 176.600 -0.024 0.000 1.004 66 E CA 1.395 57.778 56.400 -0.028 0.000 0.805 66 E CB -0.262 29.425 29.700 -0.022 0.000 0.744 66 E HN 0.376 nan 8.360 nan 0.000 0.451 67 R N 1.024 121.512 120.500 -0.020 0.000 2.152 67 R HA -0.108 4.232 4.340 0.000 0.000 0.232 67 R C 2.053 178.342 176.300 -0.019 0.000 1.117 67 R CA 1.424 57.514 56.100 -0.017 0.000 0.981 67 R CB 0.037 30.329 30.300 -0.013 0.000 0.870 67 R HN 0.171 nan 8.270 nan 0.000 0.451 68 V N -2.522 117.378 119.914 -0.023 0.000 3.542 68 V HA 0.158 4.278 4.120 0.000 0.000 0.296 68 V C 1.734 177.812 176.094 -0.027 0.000 1.364 68 V CA 0.081 62.367 62.300 -0.024 0.000 1.118 68 V CB -0.274 31.535 31.823 -0.024 0.000 0.972 68 V HN 0.164 nan 8.190 nan 0.000 0.430 69 I N 1.315 121.867 120.570 -0.029 0.000 2.145 69 I HA -0.163 4.007 4.170 0.000 0.000 0.244 69 I C -0.099 176.000 176.117 -0.030 0.000 1.075 69 I CA 2.147 63.428 61.300 -0.032 0.000 1.332 69 I CB -1.258 36.722 38.000 -0.033 0.000 1.033 69 I HN 0.395 nan 8.210 nan 0.000 0.410 70 P HA -0.106 nan 4.420 nan 0.000 0.225 70 P C 1.611 178.896 177.300 -0.026 0.000 1.148 70 P CA 1.211 64.296 63.100 -0.026 0.000 0.779 70 P CB -0.030 31.656 31.700 -0.022 0.000 0.780 71 L N -2.156 119.051 121.223 -0.026 0.000 2.492 71 L HA 0.002 4.342 4.340 0.000 0.000 0.223 71 L C 1.805 178.658 176.870 -0.029 0.000 1.132 71 L CA 0.638 55.463 54.840 -0.026 0.000 0.850 71 L CB -0.270 41.775 42.059 -0.023 0.000 0.966 71 L HN -0.084 nan 8.230 nan 0.000 0.454 72 V N -1.584 118.311 119.914 -0.032 0.000 2.735 72 V HA 0.054 4.174 4.120 0.000 0.000 0.234 72 V C 1.131 177.202 176.094 -0.039 0.000 1.121 72 V CA -0.096 62.183 62.300 -0.036 0.000 1.160 72 V CB 0.534 32.334 31.823 -0.037 0.000 0.908 72 V HN -0.065 nan 8.190 nan 0.000 0.495 73 V N 2.204 122.095 119.914 -0.039 0.000 2.625 73 V HA 0.340 4.460 4.120 0.000 0.000 0.305 73 V C 1.529 177.599 176.094 -0.039 0.000 1.055 73 V CA 1.629 63.905 62.300 -0.040 0.000 1.209 73 V CB -0.548 31.252 31.823 -0.037 0.000 0.877 73 V HN 0.845 nan 8.190 nan 0.000 0.489 74 G N 3.040 111.814 108.800 -0.043 0.000 2.234 74 G HA2 -0.176 3.784 3.960 0.000 0.000 0.235 74 G HA3 -0.176 3.784 3.960 0.000 0.000 0.235 74 G C 0.154 175.025 174.900 -0.047 0.000 0.997 74 G CA -0.140 44.934 45.100 -0.044 0.000 0.623 74 G HN 0.611 nan 8.290 nan 0.000 0.514 75 Q N 0.836 120.608 119.800 -0.047 0.000 2.259 75 Q HA 0.551 4.891 4.340 0.000 0.000 0.246 75 Q C 0.391 176.357 176.000 -0.056 0.000 0.920 75 Q CA 0.112 55.886 55.803 -0.047 0.000 0.895 75 Q CB 1.562 30.276 28.738 -0.041 0.000 1.220 75 Q HN 0.368 nan 8.270 nan 0.000 0.439 76 S N 1.379 117.046 115.700 -0.054 0.000 2.510 76 S HA 0.050 4.520 4.470 0.000 0.000 0.279 76 S C 1.307 175.868 174.600 -0.066 0.000 1.284 76 S CA -0.530 57.631 58.200 -0.065 0.000 1.059 76 S CB 0.160 63.331 63.200 -0.048 0.000 0.901 76 S HN 0.509 nan 8.310 nan 0.000 0.491 77 I N 5.577 126.088 120.570 -0.098 0.000 2.399 77 I HA -0.054 4.116 4.170 0.000 0.000 0.254 77 I C 2.281 178.374 176.117 -0.040 0.000 1.146 77 I CA 1.727 62.974 61.300 -0.087 0.000 1.412 77 I CB -0.752 37.154 38.000 -0.157 0.000 1.076 77 I HN 0.879 nan 8.210 nan 0.000 0.432 78 G N -0.814 107.968 108.800 -0.029 0.000 2.744 78 G HA2 -0.134 3.826 3.960 0.000 0.000 0.211 78 G HA3 -0.134 3.826 3.960 0.000 0.000 0.211 78 G C 1.483 176.387 174.900 0.007 0.000 1.143 78 G CA -0.093 45.017 45.100 0.017 0.000 0.788 78 G HN 0.284 nan 8.290 nan 0.000 0.534 79 R N 0.384 120.878 120.500 -0.009 0.000 3.039 79 R HA 0.177 4.517 4.340 0.000 0.000 0.336 79 R C 1.444 177.736 176.300 -0.014 0.000 1.258 79 R CA -0.050 56.044 56.100 -0.010 0.000 1.125 79 R CB 0.063 30.353 30.300 -0.016 0.000 1.427 79 R HN 0.140 nan 8.270 nan 0.000 0.588 80 T N 0.689 115.236 114.554 -0.011 0.000 2.653 80 T HA -0.187 4.163 4.350 0.000 0.000 0.268 80 T C 1.539 176.231 174.700 -0.013 0.000 1.035 80 T CA 1.450 63.541 62.100 -0.015 0.000 1.154 80 T CB -0.049 68.812 68.868 -0.012 0.000 0.862 80 T HN 0.367 nan 8.240 nan 0.000 0.441 81 N N 0.926 119.620 118.700 -0.009 0.000 2.106 81 N HA -0.040 4.700 4.740 0.000 0.000 0.188 81 N C 2.294 177.798 175.510 -0.010 0.000 1.029 81 N CA 1.365 54.410 53.050 -0.008 0.000 0.848 81 N CB -0.887 37.596 38.487 -0.007 0.000 1.007 81 N HN 0.507 nan 8.380 nan 0.000 0.423 82 G N 1.310 110.103 108.800 -0.011 0.000 2.446 82 G HA2 -0.189 3.771 3.960 0.000 0.000 0.217 82 G HA3 -0.189 3.771 3.960 0.000 0.000 0.217 82 G C 1.783 176.674 174.900 -0.015 0.000 1.168 82 G CA 0.855 45.947 45.100 -0.013 0.000 0.771 82 G HN 0.176 nan 8.290 nan 0.000 0.551 83 V N 1.134 121.037 119.914 -0.017 0.000 2.255 83 V HA -0.171 3.949 4.120 0.000 0.000 0.247 83 V C 2.954 179.037 176.094 -0.018 0.000 1.051 83 V CA 1.774 64.062 62.300 -0.020 0.000 1.018 83 V CB -0.538 31.270 31.823 -0.025 0.000 0.641 83 V HN 0.367 nan 8.190 nan 0.000 0.445 84 L N -0.275 120.938 121.223 -0.016 0.000 2.083 84 L HA -0.163 4.177 4.340 0.000 0.000 0.209 84 L C 2.624 179.488 176.870 -0.010 0.000 1.083 84 L CA 1.586 56.418 54.840 -0.014 0.000 0.752 84 L CB -0.796 41.257 42.059 -0.010 0.000 0.899 84 L HN 0.287 nan 8.230 nan 0.000 0.433 85 S N 0.031 115.725 115.700 -0.009 0.000 2.359 85 S HA -0.213 4.257 4.470 0.000 0.000 0.224 85 S C 2.235 176.829 174.600 -0.010 0.000 1.035 85 S CA 1.781 59.975 58.200 -0.008 0.000 1.018 85 S CB -0.332 62.863 63.200 -0.009 0.000 0.876 85 S HN 0.664 nan 8.310 nan 0.000 0.448 86 S N 1.436 117.128 115.700 -0.012 0.000 2.402 86 S HA 0.024 4.494 4.470 0.000 0.000 0.229 86 S C 1.786 176.378 174.600 -0.013 0.000 1.021 86 S CA 0.764 58.956 58.200 -0.013 0.000 0.974 86 S CB -0.654 62.536 63.200 -0.016 0.000 0.800 86 S HN 0.473 nan 8.310 nan 0.000 0.484 87 I N 1.767 122.328 120.570 -0.015 0.000 2.202 87 I HA -0.142 4.028 4.170 0.000 0.000 0.242 87 I C 3.054 179.163 176.117 -0.013 0.000 1.091 87 I CA 1.175 62.466 61.300 -0.016 0.000 1.368 87 I CB -0.320 37.669 38.000 -0.019 0.000 1.058 87 I HN 0.236 nan 8.210 nan 0.000 0.410 88 R N 0.643 121.137 120.500 -0.010 0.000 2.103 88 R HA -0.193 4.147 4.340 0.000 0.000 0.242 88 R C 2.426 178.722 176.300 -0.007 0.000 1.142 88 R CA 1.522 57.618 56.100 -0.007 0.000 0.960 88 R CB -0.441 29.857 30.300 -0.003 0.000 0.858 88 R HN 0.414 nan 8.270 nan 0.000 0.439 89 R N 0.146 120.642 120.500 -0.007 0.000 2.092 89 R HA -0.024 4.316 4.340 0.000 0.000 0.231 89 R C 2.329 178.625 176.300 -0.007 0.000 1.119 89 R CA 1.185 57.282 56.100 -0.007 0.000 0.970 89 R CB -0.301 29.994 30.300 -0.007 0.000 0.864 89 R HN 0.211 nan 8.270 nan 0.000 0.440 90 A N 1.041 123.856 122.820 -0.009 0.000 1.969 90 A HA -0.052 4.268 4.320 0.000 0.000 0.218 90 A C 1.948 179.527 177.584 -0.008 0.000 1.169 90 A CA 1.050 53.081 52.037 -0.009 0.000 0.635 90 A CB -0.179 18.814 19.000 -0.012 0.000 0.810 90 A HN 0.182 nan 8.150 nan 0.000 0.445 91 L N -1.074 120.144 121.223 -0.009 0.000 2.640 91 L HA 0.275 4.615 4.340 0.000 0.000 0.230 91 L C 1.468 178.335 176.870 -0.005 0.000 1.123 91 L CA -0.068 54.767 54.840 -0.008 0.000 0.900 91 L CB -0.320 41.732 42.059 -0.011 0.000 1.146 91 L HN 0.373 nan 8.230 nan 0.000 0.484 125 M N 2.780 122.358 119.600 -0.036 0.000 2.149 125 M HA -0.072 4.408 4.480 0.000 0.000 0.261 125 M C 0.383 176.652 176.300 -0.052 0.000 1.064 125 M CA 2.311 57.589 55.300 -0.036 0.000 1.102 125 M CB 0.038 32.627 32.600 -0.020 0.000 1.369 125 M HN 0.639 nan 8.290 nan 0.000 0.408 126 D N -0.489 119.871 120.400 -0.066 0.000 2.224 126 D HA -0.120 4.520 4.640 0.000 0.000 0.205 126 D C 1.357 177.587 176.300 -0.116 0.000 0.965 126 D CA 0.793 54.754 54.000 -0.065 0.000 0.852 126 D CB -0.447 40.327 40.800 -0.044 0.000 0.947 126 D HN 0.469 nan 8.370 nan 0.000 0.494 127 N N 0.777 119.358 118.700 -0.199 0.000 2.149 127 N HA -0.112 4.628 4.740 0.000 0.000 0.188 127 N C 1.982 177.421 175.510 -0.117 0.000 1.019 127 N CA 0.517 53.428 53.050 -0.232 0.000 0.857 127 N CB -0.229 38.086 38.487 -0.287 0.000 0.997 127 N HN 0.109 nan 8.380 nan 0.000 0.426 128 V N 1.068 120.930 119.914 -0.085 0.000 2.379 128 V HA -0.060 4.060 4.120 0.000 0.000 0.243 128 V C 2.210 178.275 176.094 -0.048 0.000 1.035 128 V CA 0.702 62.967 62.300 -0.057 0.000 1.035 128 V CB -0.184 31.612 31.823 -0.045 0.000 0.673 128 V HN 0.149 nan 8.190 nan 0.000 0.457 129 I N 0.786 121.330 120.570 -0.043 0.000 2.163 129 I HA -0.225 3.945 4.170 0.000 0.000 0.243 129 I C 2.545 178.641 176.117 -0.036 0.000 1.085 129 I CA 2.025 63.307 61.300 -0.031 0.000 1.347 129 I CB -1.747 36.242 38.000 -0.017 0.000 1.044 129 I HN 0.330 nan 8.210 nan 0.000 0.408 130 T N 1.323 115.850 114.554 -0.044 0.000 2.833 130 T HA -0.099 4.251 4.350 0.000 0.000 0.269 130 T C 2.051 176.714 174.700 -0.063 0.000 1.054 130 T CA 1.349 63.415 62.100 -0.057 0.000 1.135 130 T CB -0.284 68.537 68.868 -0.079 0.000 0.869 130 T HN 0.460 nan 8.240 nan 0.000 0.466 131 A N 1.002 123.792 122.820 -0.050 0.000 1.877 131 A HA -0.050 4.270 4.320 0.000 0.000 0.216 131 A C 2.577 180.131 177.584 -0.049 0.000 1.186 131 A CA 1.409 53.420 52.037 -0.044 0.000 0.620 131 A CB -0.937 18.041 19.000 -0.037 0.000 0.822 131 A HN 0.371 nan 8.150 nan 0.000 0.443 132 V N -0.090 119.796 119.914 -0.046 0.000 2.379 132 V HA -0.221 3.899 4.120 0.000 0.000 0.245 132 V C 2.483 178.550 176.094 -0.045 0.000 1.044 132 V CA 2.041 64.314 62.300 -0.044 0.000 1.036 132 V CB -0.712 31.087 31.823 -0.039 0.000 0.664 132 V HN 0.736 nan 8.190 nan 0.000 0.453 133 E N 0.536 120.709 120.200 -0.044 0.000 2.070 133 E HA -0.300 4.050 4.350 0.000 0.000 0.197 133 E C 2.256 178.821 176.600 -0.058 0.000 1.004 133 E CA 1.746 58.120 56.400 -0.044 0.000 0.805 133 E CB -0.209 29.469 29.700 -0.037 0.000 0.744 133 E HN 0.551 nan 8.360 nan 0.000 0.451 134 A N 1.165 123.942 122.820 -0.072 0.000 1.883 134 A HA -0.160 4.160 4.320 0.000 0.000 0.217 134 A C 2.396 179.933 177.584 -0.078 0.000 1.186 134 A CA 2.248 54.232 52.037 -0.088 0.000 0.624 134 A CB -0.846 18.094 19.000 -0.100 0.000 0.822 134 A HN 0.436 nan 8.150 nan 0.000 0.444 135 A N -0.910 121.871 122.820 -0.064 0.000 1.873 135 A HA 0.040 4.360 4.320 0.000 0.000 0.215 135 A C 2.038 179.590 177.584 -0.053 0.000 1.186 135 A CA 1.625 53.627 52.037 -0.058 0.000 0.616 135 A CB -0.614 18.355 19.000 -0.053 0.000 0.823 135 A HN 0.396 nan 8.150 nan 0.000 0.442 136 L N -0.264 120.929 121.223 -0.049 0.000 1.990 136 L HA -0.189 4.151 4.340 0.000 0.000 0.213 136 L C 2.396 179.242 176.870 -0.039 0.000 1.072 136 L CA 1.523 56.338 54.840 -0.042 0.000 0.755 136 L CB -0.915 41.121 42.059 -0.038 0.000 0.889 136 L HN 0.268 nan 8.230 nan 0.000 0.432 137 L N -0.817 120.377 121.223 -0.049 0.000 2.083 137 L HA -0.215 4.125 4.340 0.000 0.000 0.209 137 L C 2.346 179.176 176.870 -0.067 0.000 1.083 137 L CA 1.618 56.425 54.840 -0.055 0.000 0.752 137 L CB -1.520 40.496 42.059 -0.071 0.000 0.899 137 L HN 0.356 nan 8.230 nan 0.000 0.433 138 D N 0.103 120.456 120.400 -0.079 0.000 2.092 138 D HA -0.197 4.443 4.640 0.000 0.000 0.193 138 D C 2.418 178.696 176.300 -0.037 0.000 0.994 138 D CA 1.253 55.206 54.000 -0.078 0.000 0.828 138 D CB 0.008 40.764 40.800 -0.073 0.000 0.963 138 D HN 0.225 nan 8.370 nan 0.000 0.450 139 L N 0.123 121.331 121.223 -0.026 0.000 2.017 139 L HA -0.149 4.191 4.340 0.000 0.000 0.208 139 L C 2.809 179.705 176.870 0.044 0.000 1.073 139 L CA 0.617 55.455 54.840 -0.003 0.000 0.745 139 L CB -0.399 41.643 42.059 -0.029 0.000 0.894 139 L HN 0.167 nan 8.230 nan 0.000 0.432 140 L N -0.381 120.865 121.223 0.037 0.000 2.017 140 L HA -0.158 4.182 4.340 0.000 0.000 0.208 140 L C 2.550 179.481 176.870 0.101 0.000 1.073 140 L CA 1.674 56.572 54.840 0.097 0.000 0.745 140 L CB -0.862 41.230 42.059 0.054 0.000 0.894 140 L HN 0.337 nan 8.230 nan 0.000 0.432 141 G N -0.925 107.892 108.800 0.029 0.000 2.491 141 G HA2 -0.325 3.635 3.960 0.000 0.000 0.218 141 G HA3 -0.325 3.635 3.960 0.000 0.000 0.218 141 G C 1.359 176.274 174.900 0.025 0.000 1.180 141 G CA 0.722 45.825 45.100 0.005 0.000 0.774 141 G HN 0.459 nan 8.290 nan 0.000 0.562 142 Q N -0.858 118.965 119.800 0.038 0.000 2.096 142 Q HA -0.130 4.210 4.340 0.000 0.000 0.204 142 Q C 2.283 178.343 176.000 0.101 0.000 0.982 142 Q CA 1.396 57.232 55.803 0.054 0.000 0.850 142 Q CB -0.304 28.466 28.738 0.053 0.000 0.901 142 Q HN 0.521 nan 8.270 nan 0.000 0.422 143 F N 0.962 120.900 119.950 -0.021 0.000 2.146 143 F HA -0.093 4.434 4.527 0.000 0.000 0.298 143 F C 1.518 177.309 175.800 -0.014 0.000 1.096 143 F CA 1.159 59.150 58.000 -0.016 0.000 1.275 143 F CB 0.005 38.995 39.000 -0.016 0.000 1.008 143 F HN -0.060 nan 8.300 nan 0.000 0.480 144 L N -0.036 121.110 121.223 -0.127 0.000 2.591 144 L HA 0.074 4.414 4.340 0.000 0.000 0.228 144 L C 0.358 177.145 176.870 -0.138 0.000 1.133 144 L CA 0.404 55.109 54.840 -0.224 0.000 0.880 144 L CB -0.712 41.287 42.059 -0.100 0.000 1.033 144 L HN 0.110 nan 8.230 nan 0.000 0.450 145 E N 0.155 120.305 120.200 -0.083 0.000 2.389 145 E HA -0.181 4.169 4.350 0.000 0.000 0.243 145 E C -0.528 176.054 176.600 -0.031 0.000 1.154 145 E CA 0.496 56.867 56.400 -0.049 0.000 0.723 145 E CB -1.155 28.507 29.700 -0.064 0.000 1.261 145 E HN 0.398 nan 8.360 nan 0.000 0.390 146 V N -4.518 115.385 119.914 -0.018 0.000 3.040 146 V HA 0.816 4.936 4.120 0.000 0.000 0.312 146 V C -2.673 173.429 176.094 0.013 0.000 1.115 146 V CA -2.705 59.593 62.300 -0.003 0.000 0.998 146 V CB 2.172 33.989 31.823 -0.009 0.000 1.042 146 V HN -0.147 nan 8.190 nan 0.000 0.433 147 P HA 0.285 nan 4.420 nan 0.000 0.272 147 P C 1.047 178.368 177.300 0.036 0.000 1.223 147 P CA -0.071 63.090 63.100 0.102 0.000 0.784 147 P CB 0.994 32.821 31.700 0.211 0.000 0.923 148 V N 2.065 121.895 119.914 -0.141 0.000 2.380 148 V HA -0.334 3.786 4.120 0.000 0.000 0.251 148 V C 2.397 178.505 176.094 0.023 0.000 1.063 148 V CA 2.739 64.938 62.300 -0.168 0.000 1.055 148 V CB -1.647 29.915 31.823 -0.435 0.000 0.657 148 V HN 0.697 nan 8.190 nan 0.000 0.455 149 A N -0.696 122.277 122.820 0.255 0.000 1.927 149 A HA -0.288 4.032 4.320 0.000 0.000 0.220 149 A C 2.211 179.826 177.584 0.052 0.000 1.185 149 A CA 1.975 54.108 52.037 0.160 0.000 0.639 149 A CB -0.505 18.584 19.000 0.148 0.000 0.820 149 A HN 0.503 nan 8.150 nan 0.000 0.451 150 E N -0.295 119.931 120.200 0.044 0.000 2.267 150 E HA -0.122 4.228 4.350 0.000 0.000 0.197 150 E C 1.763 178.361 176.600 -0.003 0.000 0.998 150 E CA 0.898 57.304 56.400 0.010 0.000 0.830 150 E CB -0.208 29.496 29.700 0.007 0.000 0.751 150 E HN 0.735 nan 8.360 nan 0.000 0.491 151 L N -0.224 120.997 121.223 -0.004 0.000 2.477 151 L HA 0.138 4.478 4.340 0.000 0.000 0.220 151 L C 0.931 177.791 176.870 -0.017 0.000 1.106 151 L CA -0.065 54.767 54.840 -0.012 0.000 0.851 151 L CB 0.146 42.196 42.059 -0.016 0.000 0.994 151 L HN -0.083 nan 8.230 nan 0.000 0.462 152 L N 0.093 121.305 121.223 -0.018 0.000 2.326 152 L HA 0.421 4.761 4.340 0.000 0.000 0.278 152 L C 1.331 178.175 176.870 -0.043 0.000 1.092 152 L CA 0.094 54.917 54.840 -0.029 0.000 0.810 152 L CB 0.931 42.973 42.059 -0.029 0.000 1.153 152 L HN 0.258 nan 8.230 nan 0.000 0.439 153 G N 2.936 111.707 108.800 -0.048 0.000 2.651 153 G HA2 -0.383 3.577 3.960 0.000 0.000 0.315 153 G HA3 -0.383 3.577 3.960 0.000 0.000 0.315 153 G C 0.559 175.427 174.900 -0.053 0.000 1.258 153 G CA 0.384 45.447 45.100 -0.062 0.000 1.002 153 G HN 0.942 nan 8.290 nan 0.000 0.551 154 A N 0.725 123.508 122.820 -0.062 0.000 2.462 154 A HA 0.696 5.016 4.320 0.000 0.000 0.261 154 A C 1.725 179.283 177.584 -0.043 0.000 1.323 154 A CA 1.464 53.471 52.037 -0.049 0.000 0.913 154 A CB -0.957 18.012 19.000 -0.051 0.000 1.028 154 A HN 2.858 nan 8.150 nan 0.000 0.511 155 G N -0.718 108.057 108.800 -0.042 0.000 2.610 155 G HA2 -0.134 3.826 3.960 0.000 0.000 0.304 155 G HA3 -0.134 3.826 3.960 0.000 0.000 0.304 155 G C -0.305 174.574 174.900 -0.035 0.000 1.309 155 G CA -0.239 44.843 45.100 -0.031 0.000 0.906 155 G HN 0.665 nan 8.290 nan 0.000 0.521 156 Q N -0.234 119.553 119.800 -0.021 0.000 2.332 156 Q HA 0.395 4.735 4.340 0.000 0.000 0.263 156 Q C 0.962 176.942 176.000 -0.033 0.000 0.979 156 Q CA -0.002 55.787 55.803 -0.023 0.000 0.885 156 Q CB 0.484 29.216 28.738 -0.009 0.000 1.218 156 Q HN 0.523 nan 8.270 nan 0.000 0.405 157 Q N 2.467 122.241 119.800 -0.043 0.000 2.353 157 Q HA 0.144 4.484 4.340 0.000 0.000 0.240 157 Q C -0.172 175.811 176.000 -0.028 0.000 0.868 157 Q CA 0.604 56.382 55.803 -0.043 0.000 0.944 157 Q CB 1.024 29.723 28.738 -0.065 0.000 1.104 157 Q HN 0.648 nan 8.270 nan 0.000 0.531 158 R N -0.881 119.603 120.500 -0.025 0.000 2.799 158 R HA 0.465 4.805 4.340 0.000 0.000 0.270 158 R C -0.713 175.580 176.300 -0.011 0.000 1.010 158 R CA -0.612 55.482 56.100 -0.009 0.000 0.916 158 R CB 0.666 30.970 30.300 0.007 0.000 1.228 158 R HN -0.362 nan 8.270 nan 0.000 0.469 159 D N 0.165 120.564 120.400 -0.002 0.000 2.346 159 D HA 0.053 4.693 4.640 0.000 0.000 0.206 159 D C -0.121 176.179 176.300 0.001 0.000 1.001 159 D CA 0.907 54.902 54.000 -0.009 0.000 0.871 159 D CB 0.551 41.344 40.800 -0.012 0.000 0.943 159 D HN 0.561 nan 8.370 nan 0.000 0.518 160 S N -0.836 114.888 115.700 0.040 0.000 2.541 160 S HA 0.739 5.209 4.470 0.000 0.000 0.271 160 S C -0.759 173.907 174.600 0.111 0.000 1.133 160 S CA -1.058 57.192 58.200 0.082 0.000 0.876 160 S CB 2.325 65.609 63.200 0.140 0.000 1.105 160 S HN 0.017 nan 8.310 nan 0.000 0.470 161 A N 3.048 125.904 122.820 0.060 0.000 2.320 161 A HA 0.753 5.073 4.320 0.000 0.000 0.287 161 A C -2.481 175.034 177.584 -0.116 0.000 1.181 161 A CA -1.752 50.295 52.037 0.018 0.000 0.831 161 A CB -0.175 18.844 19.000 0.032 0.000 1.102 161 A HN 0.675 nan 8.150 nan 0.000 0.513 162 P HA 0.408 nan 4.420 nan 0.000 0.284 162 P C -0.791 176.347 177.300 -0.269 0.000 1.253 162 P CA 0.017 62.777 63.100 -0.568 0.000 0.800 162 P CB 1.149 32.593 31.700 -0.426 0.000 0.961 163 M N 2.447 121.915 119.600 -0.221 0.000 2.572 163 M HA 0.425 4.905 4.480 0.000 0.000 0.299 163 M C -0.246 176.033 176.300 -0.036 0.000 1.205 163 M CA -1.133 54.116 55.300 -0.084 0.000 0.876 163 M CB 2.169 34.792 32.600 0.038 0.000 1.728 163 M HN 0.165 nan 8.290 nan 0.000 0.458 164 L N 0.198 121.288 121.223 -0.223 0.000 2.331 164 L HA 1.040 5.380 4.340 0.000 0.000 0.268 164 L C -0.376 175.841 176.870 -1.088 0.000 1.015 164 L CA -0.751 53.792 54.840 -0.495 0.000 0.807 164 L CB 0.892 42.682 42.059 -0.448 0.000 1.293 164 L HN 0.714 nan 8.230 nan 0.000 0.451 165 A N 0.570 122.495 122.820 -1.492 0.000 2.260 165 A HA 0.455 4.775 4.320 0.000 0.000 0.312 165 A C -1.145 176.080 177.584 -0.598 0.000 1.321 165 A CA -0.236 50.845 52.037 -1.593 0.000 0.928 165 A CB -0.435 17.622 19.000 -1.571 0.000 1.158 165 A HN 0.582 nan 8.150 nan 0.000 0.542 166 Y N 4.199 124.222 120.300 -0.462 0.000 2.556 166 Y HA 0.407 4.957 4.550 0.000 0.000 0.352 166 Y C -0.240 175.758 175.900 0.164 0.000 1.006 166 Y CA -0.961 57.041 58.100 -0.165 0.000 1.277 166 Y CB 0.143 38.542 38.460 -0.102 0.000 1.136 166 Y HN 0.532 nan 8.280 nan 0.000 0.523 167 L N 5.823 127.244 121.223 0.329 0.000 2.343 167 L HA 0.479 4.819 4.340 0.000 0.000 0.275 167 L C -0.907 176.029 176.870 0.111 0.000 1.056 167 L CA -0.587 54.470 54.840 0.362 0.000 0.804 167 L CB 1.009 43.169 42.059 0.167 0.000 1.203 167 L HN 0.336 nan 8.230 nan 0.000 0.440 168 F N -0.206 119.836 119.950 0.153 0.000 2.599 168 F HA 0.407 4.934 4.527 0.000 0.000 0.311 168 F C -0.376 175.353 175.800 -0.119 0.000 1.076 168 F CA -0.818 57.109 58.000 -0.121 0.000 0.937 168 F CB 1.242 40.023 39.000 -0.365 0.000 1.282 168 F HN 0.130 nan 8.300 nan 0.000 0.460 169 Y N 1.679 122.057 120.300 0.129 0.000 2.544 169 Y HA 0.361 4.911 4.550 0.000 0.000 0.330 169 Y C 0.219 176.115 175.900 -0.008 0.000 1.136 169 Y CA -0.319 57.817 58.100 0.059 0.000 1.417 169 Y CB 0.133 38.605 38.460 0.020 0.000 1.229 169 Y HN 0.138 nan 8.280 nan 0.000 0.532 170 V N 3.978 123.967 119.914 0.126 0.000 2.481 170 V HA 0.537 4.657 4.120 0.000 0.000 0.286 170 V C 0.742 176.794 176.094 -0.069 0.000 1.042 170 V CA -0.935 61.337 62.300 -0.047 0.000 0.928 170 V CB 1.355 33.151 31.823 -0.045 0.000 0.986 170 V HN 0.957 nan 8.190 nan 0.000 0.462 171 G N 1.641 110.340 108.800 -0.167 0.000 2.539 171 G HA2 0.261 4.221 3.960 0.000 0.000 0.258 171 G HA3 0.261 4.221 3.960 0.000 0.000 0.258 171 G C -0.384 174.401 174.900 -0.192 0.000 1.202 171 G CA -0.290 44.708 45.100 -0.169 0.000 0.851 171 G HN 0.689 nan 8.290 nan 0.000 0.556 172 D N 0.381 120.698 120.400 -0.138 0.000 2.359 172 D HA 0.006 4.646 4.640 0.000 0.000 0.250 172 D C 2.000 178.204 176.300 -0.161 0.000 1.264 172 D CA -0.459 53.469 54.000 -0.121 0.000 0.911 172 D CB 0.533 41.292 40.800 -0.068 0.000 1.056 172 D HN 0.517 nan 8.370 nan 0.000 0.499 173 R N 3.791 124.162 120.500 -0.215 0.000 2.127 173 R HA -0.131 4.209 4.340 0.000 0.000 0.238 173 R C 1.358 177.609 176.300 -0.083 0.000 1.134 173 R CA 0.712 56.683 56.100 -0.214 0.000 0.975 173 R CB -0.225 29.971 30.300 -0.173 0.000 0.865 173 R HN 0.307 nan 8.270 nan 0.000 0.447 174 R N 1.130 121.591 120.500 -0.066 0.000 2.200 174 R HA -0.043 4.297 4.340 0.000 0.000 0.234 174 R C 1.478 177.759 176.300 -0.032 0.000 1.127 174 R CA 1.373 57.450 56.100 -0.038 0.000 0.989 174 R CB -0.128 30.155 30.300 -0.029 0.000 0.869 174 R HN 0.347 nan 8.270 nan 0.000 0.459 175 K N 0.577 120.953 120.400 -0.040 0.000 2.505 175 K HA -0.006 4.314 4.320 0.000 0.000 0.192 175 K C 0.497 177.091 176.600 -0.010 0.000 1.025 175 K CA 0.527 56.812 56.287 -0.004 0.000 1.086 175 K CB 0.430 32.938 32.500 0.014 0.000 0.840 175 K HN 0.202 nan 8.250 nan 0.000 0.514 176 T N -2.138 112.336 114.554 -0.134 0.000 2.901 176 T HA 0.190 4.540 4.350 0.000 0.000 0.293 176 T C -0.243 174.318 174.700 -0.232 0.000 1.084 176 T CA -0.977 60.873 62.100 -0.417 0.000 1.008 176 T CB 1.769 70.136 68.868 -0.835 0.000 1.170 176 T HN 0.018 nan 8.240 nan 0.000 0.509 177 D N 0.466 120.721 120.400 -0.241 0.000 2.388 177 D HA 0.241 4.881 4.640 0.000 0.000 0.221 177 D C 0.391 176.624 176.300 -0.112 0.000 1.133 177 D CA -0.406 53.545 54.000 -0.081 0.000 0.831 177 D CB -0.337 40.481 40.800 0.030 0.000 0.962 177 D HN 0.472 nan 8.370 nan 0.000 0.502 178 L N 0.344 121.431 121.223 -0.225 0.000 2.418 178 L HA 0.317 4.657 4.340 0.000 0.000 0.265 178 L C -1.655 175.053 176.870 -0.269 0.000 1.143 178 L CA -1.935 52.744 54.840 -0.268 0.000 0.809 178 L CB 0.813 42.609 42.059 -0.439 0.000 1.124 178 L HN -0.187 nan 8.230 nan 0.000 0.456 179 P HA 0.094 nan 4.420 nan 0.000 0.235 179 P C -1.004 176.092 177.300 -0.339 0.000 1.725 179 P CA -0.166 62.796 63.100 -0.230 0.000 0.894 179 P CB -0.435 31.208 31.700 -0.095 0.000 1.704 180 Y N 0.111 120.295 120.300 -0.194 0.000 2.610 180 Y HA 0.001 4.551 4.550 0.000 0.000 0.332 180 Y C 1.640 177.433 175.900 -0.179 0.000 1.201 180 Y CA -0.266 57.718 58.100 -0.194 0.000 1.465 180 Y CB 0.134 38.504 38.460 -0.149 0.000 1.283 180 Y HN -0.005 nan 8.280 nan 0.000 0.563 181 L N 2.593 123.781 121.223 -0.059 0.000 2.468 181 L HA 0.133 4.473 4.340 0.000 0.000 0.253 181 L C 0.303 176.981 176.870 -0.319 0.000 1.237 181 L CA 0.066 54.774 54.840 -0.220 0.000 0.823 181 L CB 0.554 42.415 42.059 -0.329 0.000 1.124 181 L HN 0.685 nan 8.230 nan 0.000 0.504 182 E N -0.687 119.294 120.200 -0.366 0.000 2.312 182 E HA 0.389 4.739 4.350 0.000 0.000 0.267 182 E C -0.495 175.903 176.600 -0.335 0.000 0.894 182 E CA -0.847 55.385 56.400 -0.279 0.000 0.773 182 E CB 1.854 31.480 29.700 -0.123 0.000 1.241 182 E HN 0.642 nan 8.360 nan 0.000 0.432 183 G N 1.379 110.102 108.800 -0.128 0.000 2.414 183 G HA2 0.327 4.287 3.960 0.000 0.000 0.236 183 G HA3 0.327 4.287 3.960 0.000 0.000 0.236 183 G C 0.087 174.964 174.900 -0.038 0.000 1.293 183 G CA 0.291 45.393 45.100 0.003 0.000 0.869 183 G HN 0.563 nan 8.290 nan 0.000 0.556 184 A N 2.511 125.320 122.820 -0.018 0.000 2.310 184 A HA 0.345 4.665 4.320 0.000 0.000 0.260 184 A C 0.878 178.458 177.584 -0.005 0.000 1.112 184 A CA -0.572 51.456 52.037 -0.015 0.000 0.804 184 A CB 0.330 19.330 19.000 -0.000 0.000 1.081 184 A HN 0.725 nan 8.150 nan 0.000 0.499 185 N N -0.367 118.331 118.700 -0.003 0.000 2.458 185 N HA 0.340 5.080 4.740 0.000 0.000 0.270 185 N C 0.935 176.447 175.510 0.004 0.000 1.102 185 N CA 1.336 54.385 53.050 -0.000 0.000 0.967 185 N CB 0.790 39.277 38.487 -0.001 0.000 1.078 185 N HN 1.171 nan 8.380 nan 0.000 0.471 186 G N 1.661 110.464 108.800 0.004 0.000 2.159 186 G HA2 -0.276 3.684 3.960 0.000 0.000 0.256 186 G HA3 -0.276 3.684 3.960 0.000 0.000 0.256 186 G C 0.289 175.194 174.900 0.008 0.000 0.977 186 G CA 0.189 45.293 45.100 0.006 0.000 0.652 186 G HN 0.871 nan 8.290 nan 0.000 0.531 187 A N 0.650 123.475 122.820 0.008 0.000 2.531 187 A HA 0.470 4.790 4.320 0.000 0.000 0.236 187 A C 0.896 178.486 177.584 0.010 0.000 1.062 187 A CA 0.845 52.888 52.037 0.011 0.000 0.760 187 A CB 0.144 19.151 19.000 0.011 0.000 0.995 187 A HN 1.198 nan 8.150 nan 0.000 0.501 188 D N 1.315 121.724 120.400 0.015 0.000 2.384 188 D HA 0.048 4.688 4.640 0.000 0.000 0.244 188 D C 0.319 176.636 176.300 0.030 0.000 1.251 188 D CA -0.138 53.874 54.000 0.020 0.000 0.961 188 D CB 0.306 41.116 40.800 0.016 0.000 1.116 188 D HN 0.413 nan 8.370 nan 0.000 0.484 189 D N -0.721 119.707 120.400 0.047 0.000 2.133 189 D HA -0.170 4.470 4.640 0.000 0.000 0.195 189 D C 1.475 177.819 176.300 0.073 0.000 0.997 189 D CA 1.027 55.061 54.000 0.057 0.000 0.840 189 D CB -0.370 40.477 40.800 0.079 0.000 0.947 189 D HN 0.607 nan 8.370 nan 0.000 0.452 190 W N 1.146 122.412 121.300 -0.057 0.000 2.379 190 W HA -0.130 4.530 4.660 0.000 0.000 0.307 190 W C 1.684 178.149 176.519 -0.089 0.000 1.200 190 W CA 0.686 57.984 57.345 -0.078 0.000 1.297 190 W CB -0.286 29.118 29.460 -0.092 0.000 1.140 190 W HN -0.012 nan 8.180 nan 0.000 0.507 191 L N 0.459 121.587 121.223 -0.159 0.000 2.275 191 L HA -0.164 4.176 4.340 0.000 0.000 0.215 191 L C 2.761 179.531 176.870 -0.166 0.000 1.119 191 L CA 1.239 55.955 54.840 -0.207 0.000 0.790 191 L CB -0.764 41.290 42.059 -0.008 0.000 0.919 191 L HN -0.001 nan 8.230 nan 0.000 0.443 192 R N 0.718 121.141 120.500 -0.129 0.000 2.057 192 R HA -0.048 4.292 4.340 0.000 0.000 0.224 192 R C 2.276 178.494 176.300 -0.138 0.000 1.136 192 R CA 0.848 56.911 56.100 -0.062 0.000 0.968 192 R CB -0.121 30.160 30.300 -0.032 0.000 0.863 192 R HN 0.239 nan 8.270 nan 0.000 0.433 193 L N 1.641 122.729 121.223 -0.225 0.000 2.201 193 L HA -0.077 4.263 4.340 0.000 0.000 0.212 193 L C 2.507 179.140 176.870 -0.396 0.000 1.105 193 L CA 1.188 55.890 54.840 -0.229 0.000 0.775 193 L CB -0.331 41.650 42.059 -0.131 0.000 0.913 193 L HN 0.310 nan 8.230 nan 0.000 0.440 194 R N -1.192 118.815 120.500 -0.821 0.000 2.357 194 R HA -0.110 4.230 4.340 0.000 0.000 0.202 194 R C 1.180 177.159 176.300 -0.535 0.000 1.047 194 R CA 1.010 56.558 56.100 -0.920 0.000 1.034 194 R CB -0.372 28.959 30.300 -1.615 0.000 0.875 194 R HN 0.455 nan 8.270 nan 0.000 0.473 195 H N -0.095 118.867 119.070 -0.180 0.000 2.827 195 H HA 0.271 4.827 4.556 0.000 0.000 0.269 195 H C -0.197 175.061 175.328 -0.116 0.000 1.031 195 H CA -0.156 55.821 56.048 -0.119 0.000 1.202 195 H CB 0.619 30.318 29.762 -0.106 0.000 1.511 195 H HN 0.213 nan 8.280 nan 0.000 0.517 196 E N 0.885 121.069 120.200 -0.026 0.000 2.227 196 E HA 0.506 4.856 4.350 0.000 0.000 0.268 196 E C 0.261 176.836 176.600 -0.042 0.000 0.990 196 E CA -0.883 55.497 56.400 -0.034 0.000 0.856 196 E CB 1.847 31.531 29.700 -0.026 0.000 1.159 196 E HN 0.124 nan 8.360 nan 0.000 0.401 197 A N 0.996 123.791 122.820 -0.043 0.000 2.577 197 A HA 0.374 4.694 4.320 0.000 0.000 0.233 197 A C -0.047 177.546 177.584 0.015 0.000 1.076 197 A CA 0.740 52.758 52.037 -0.031 0.000 0.767 197 A CB -0.009 18.973 19.000 -0.031 0.000 1.017 197 A HN 0.606 nan 8.150 nan 0.000 0.511 198 A N 2.098 124.951 122.820 0.054 0.000 2.604 198 A HA 0.582 4.902 4.320 0.000 0.000 0.285 198 A C -0.196 177.513 177.584 0.207 0.000 1.095 198 A CA -0.397 51.713 52.037 0.121 0.000 0.842 198 A CB 0.534 19.622 19.000 0.146 0.000 1.385 198 A HN 0.715 nan 8.150 nan 0.000 0.404 199 M N 1.328 121.019 119.600 0.151 0.000 2.327 199 M HA 0.153 4.633 4.480 0.000 0.000 0.365 199 M C 0.439 176.780 176.300 0.069 0.000 0.992 199 M CA 0.544 55.892 55.300 0.080 0.000 0.985 199 M CB 0.134 32.719 32.600 -0.025 0.000 1.673 199 M HN 0.846 nan 8.290 nan 0.000 0.586 200 T N -3.278 111.371 114.554 0.158 0.000 2.916 200 T HA 0.550 4.900 4.350 0.000 0.000 0.292 200 T C -2.476 172.331 174.700 0.179 0.000 1.055 200 T CA -1.492 60.685 62.100 0.128 0.000 1.009 200 T CB 2.749 71.656 68.868 0.065 0.000 1.118 200 T HN -0.272 nan 8.240 nan 0.000 0.497 201 P HA -0.058 nan 4.420 nan 0.000 0.216 201 P C 1.615 178.948 177.300 0.054 0.000 1.150 201 P CA 1.658 64.817 63.100 0.098 0.000 0.843 201 P CB -0.241 31.498 31.700 0.064 0.000 0.787 202 A N -0.285 122.561 122.820 0.044 0.000 1.930 202 A HA -0.040 4.280 4.320 0.000 0.000 0.217 202 A C 2.293 179.897 177.584 0.033 0.000 1.175 202 A CA 1.851 53.901 52.037 0.023 0.000 0.627 202 A CB -1.466 17.543 19.000 0.015 0.000 0.815 202 A HN 0.194 nan 8.150 nan 0.000 0.443 203 A N -0.098 122.758 122.820 0.059 0.000 1.930 203 A HA -0.004 4.316 4.320 0.000 0.000 0.217 203 A C 1.955 179.585 177.584 0.076 0.000 1.175 203 A CA 1.455 53.534 52.037 0.069 0.000 0.627 203 A CB -0.408 18.644 19.000 0.087 0.000 0.815 203 A HN 0.389 nan 8.150 nan 0.000 0.443 204 I N 0.060 120.672 120.570 0.069 0.000 2.252 204 I HA -0.204 3.966 4.170 0.000 0.000 0.245 204 I C 2.914 179.044 176.117 0.022 0.000 1.102 204 I CA 1.315 62.634 61.300 0.031 0.000 1.385 204 I CB -1.610 36.359 38.000 -0.052 0.000 1.064 204 I HN 0.357 nan 8.210 nan 0.000 0.414 205 A N 0.668 123.488 122.820 -0.000 0.000 1.908 205 A HA -0.210 4.110 4.320 0.000 0.000 0.218 205 A C 2.407 180.001 177.584 0.017 0.000 1.181 205 A CA 1.325 53.345 52.037 -0.030 0.000 0.627 205 A CB -0.436 18.530 19.000 -0.057 0.000 0.818 205 A HN 0.202 nan 8.150 nan 0.000 0.445 206 R N -0.366 120.159 120.500 0.042 0.000 2.081 206 R HA -0.031 4.309 4.340 0.000 0.000 0.235 206 R C 2.107 178.493 176.300 0.143 0.000 1.131 206 R CA 1.238 57.382 56.100 0.074 0.000 0.960 206 R CB -1.088 29.247 30.300 0.058 0.000 0.856 206 R HN 0.633 nan 8.270 nan 0.000 0.436 207 L N 0.015 121.337 121.223 0.165 0.000 2.012 207 L HA -0.202 4.138 4.340 0.000 0.000 0.210 207 L C 2.610 179.656 176.870 0.293 0.000 1.073 207 L CA 1.588 56.601 54.840 0.289 0.000 0.748 207 L CB -0.720 41.516 42.059 0.294 0.000 0.891 207 L HN 0.160 nan 8.230 nan 0.000 0.431 208 A N 0.014 122.948 122.820 0.191 0.000 1.892 208 A HA -0.263 4.057 4.320 0.000 0.000 0.218 208 A C 2.141 179.937 177.584 0.353 0.000 1.188 208 A CA 2.012 54.163 52.037 0.190 0.000 0.631 208 A CB -0.590 18.313 19.000 -0.161 0.000 0.822 208 A HN 0.500 nan 8.150 nan 0.000 0.447 209 E N -0.361 120.048 120.200 0.349 0.000 2.049 209 E HA -0.195 4.155 4.350 0.000 0.000 0.198 209 E C 2.354 179.133 176.600 0.298 0.000 1.007 209 E CA 1.193 57.834 56.400 0.402 0.000 0.809 209 E CB -0.362 29.457 29.700 0.197 0.000 0.749 209 E HN 0.629 nan 8.360 nan 0.000 0.450 210 A N 1.483 124.459 122.820 0.260 0.000 1.930 210 A HA -0.075 4.245 4.320 0.000 0.000 0.217 210 A C 2.407 180.101 177.584 0.183 0.000 1.175 210 A CA 1.647 53.835 52.037 0.253 0.000 0.627 210 A CB -0.612 18.601 19.000 0.355 0.000 0.815 210 A HN 0.293 nan 8.150 nan 0.000 0.443 211 A N -0.872 122.020 122.820 0.120 0.000 1.877 211 A HA -0.116 4.204 4.320 0.000 0.000 0.216 211 A C 2.307 179.952 177.584 0.101 0.000 1.186 211 A CA 2.362 54.332 52.037 -0.112 0.000 0.620 211 A CB -1.400 17.455 19.000 -0.242 0.000 0.822 211 A HN 0.417 nan 8.150 nan 0.000 0.443 212 T N -0.539 114.117 114.554 0.170 0.000 2.759 212 T HA -0.181 4.169 4.350 0.000 0.000 0.269 212 T C 1.847 176.541 174.700 -0.010 0.000 1.042 212 T CA 1.665 63.803 62.100 0.064 0.000 1.140 212 T CB -0.235 68.636 68.868 0.006 0.000 0.864 212 T HN 0.717 nan 8.240 nan 0.000 0.455 213 E N 0.670 120.887 120.200 0.028 0.000 2.051 213 E HA -0.151 4.199 4.350 0.000 0.000 0.192 213 E C 2.431 178.954 176.600 -0.127 0.000 0.991 213 E CA 0.937 57.331 56.400 -0.010 0.000 0.799 213 E CB -0.011 29.711 29.700 0.036 0.000 0.748 213 E HN 0.329 nan 8.360 nan 0.000 0.449 214 R N -1.377 118.971 120.500 -0.254 0.000 2.127 214 R HA -0.068 4.272 4.340 0.000 0.000 0.217 214 R C 1.153 177.048 176.300 -0.674 0.000 1.074 214 R CA 1.117 56.903 56.100 -0.524 0.000 0.991 214 R CB 0.159 29.985 30.300 -0.791 0.000 0.895 214 R HN 0.255 nan 8.270 nan 0.000 0.450 215 Y N -1.889 118.218 120.300 -0.322 0.000 2.467 215 Y HA 0.366 4.916 4.550 0.000 0.000 0.259 215 Y C 1.170 176.692 175.900 -0.630 0.000 1.084 215 Y CA 0.228 57.998 58.100 -0.550 0.000 1.275 215 Y CB 1.069 38.977 38.460 -0.921 0.000 1.208 215 Y HN 0.237 nan 8.280 nan 0.000 0.511 216 G N 0.419 109.015 108.800 -0.340 0.000 2.149 216 G HA2 -0.277 3.683 3.960 0.000 0.000 0.235 216 G HA3 -0.277 3.683 3.960 0.000 0.000 0.235 216 G C -0.258 174.468 174.900 -0.289 0.000 1.018 216 G CA -0.505 44.443 45.100 -0.253 0.000 0.728 216 G HN 0.105 nan 8.290 nan 0.000 0.508 217 F N -0.058 119.758 119.950 -0.224 0.000 2.553 217 F HA 0.443 4.970 4.527 0.000 0.000 0.356 217 F C 1.373 176.904 175.800 -0.449 0.000 1.142 217 F CA 0.629 58.385 58.000 -0.407 0.000 1.322 217 F CB 1.182 39.766 39.000 -0.694 0.000 1.126 217 F HN 0.212 nan 8.300 nan 0.000 0.599 218 A N 1.257 123.973 122.820 -0.174 0.000 2.508 218 A HA 0.312 4.632 4.320 0.000 0.000 0.257 218 A C -0.594 176.871 177.584 -0.199 0.000 1.226 218 A CA -0.161 51.793 52.037 -0.138 0.000 0.947 218 A CB -0.329 18.660 19.000 -0.018 0.000 1.079 218 A HN 0.711 nan 8.150 nan 0.000 0.531 219 D N -1.432 118.697 120.400 -0.453 0.000 2.646 219 D HA 0.662 5.302 4.640 0.000 0.000 0.245 219 D C -1.226 174.574 176.300 -0.833 0.000 1.099 219 D CA 0.012 53.760 54.000 -0.420 0.000 0.849 219 D CB 1.647 42.284 40.800 -0.272 0.000 1.448 219 D HN 0.123 nan 8.370 nan 0.000 0.489 220 F N 1.021 120.828 119.950 -0.238 0.000 2.569 220 F HA 0.469 4.996 4.527 0.000 0.000 0.312 220 F C -0.056 175.562 175.800 -0.303 0.000 1.109 220 F CA -0.995 56.841 58.000 -0.273 0.000 0.919 220 F CB 2.107 41.002 39.000 -0.175 0.000 1.211 220 F HN -0.010 nan 8.300 nan 0.000 0.446 221 K N 3.125 123.413 120.400 -0.187 0.000 2.443 221 K HA 0.711 5.031 4.320 0.000 0.000 0.252 221 K C -2.077 174.430 176.600 -0.156 0.000 0.933 221 K CA -0.849 55.270 56.287 -0.280 0.000 0.792 221 K CB 2.022 34.185 32.500 -0.562 0.000 1.185 221 K HN 0.648 nan 8.250 nan 0.000 0.425 222 L N 3.727 124.858 121.223 -0.153 0.000 2.296 222 L HA 0.448 4.788 4.340 0.000 0.000 0.286 222 L C -0.793 175.956 176.870 -0.201 0.000 1.023 222 L CA -0.395 54.342 54.840 -0.172 0.000 0.812 222 L CB 1.144 43.093 42.059 -0.185 0.000 1.223 222 L HN 0.547 nan 8.230 nan 0.000 0.421 223 K N 3.706 123.880 120.400 -0.377 0.000 2.378 223 K HA 0.528 4.848 4.320 0.000 0.000 0.288 223 K C 0.103 176.594 176.600 -0.181 0.000 1.057 223 K CA 0.522 56.574 56.287 -0.391 0.000 0.971 223 K CB 0.369 32.289 32.500 -0.967 0.000 0.975 223 K HN 0.795 nan 8.250 nan 0.000 0.475 224 G N 1.776 110.523 108.800 -0.088 0.000 2.857 224 G HA2 0.473 4.433 3.960 0.000 0.000 0.217 224 G HA3 0.473 4.433 3.960 0.000 0.000 0.217 224 G C 0.267 175.195 174.900 0.047 0.000 1.357 224 G CA -0.553 44.562 45.100 0.025 0.000 1.033 224 G HN 1.068 nan 8.290 nan 0.000 0.571 225 G N -2.353 106.496 108.800 0.081 0.000 2.198 225 G HA2 -0.145 3.815 3.960 0.000 0.000 0.260 225 G HA3 -0.145 3.815 3.960 0.000 0.000 0.260 225 G C 0.608 175.604 174.900 0.161 0.000 1.025 225 G CA 0.834 45.999 45.100 0.107 0.000 0.769 225 G HN 1.126 nan 8.290 nan 0.000 0.507 226 V N -0.765 119.261 119.914 0.186 0.000 2.840 226 V HA 0.419 4.539 4.120 0.000 0.000 0.234 226 V C 1.628 177.751 176.094 0.048 0.000 1.159 226 V CA 1.189 63.569 62.300 0.132 0.000 1.194 226 V CB -0.126 31.812 31.823 0.191 0.000 0.971 226 V HN 0.339 nan 8.190 nan 0.000 0.494 227 M N 0.414 120.030 119.600 0.026 0.000 2.494 227 M HA 0.469 4.949 4.480 0.000 0.000 0.300 227 M C -2.630 173.719 176.300 0.080 0.000 1.189 227 M CA -2.593 52.685 55.300 -0.037 0.000 0.982 227 M CB -0.125 32.378 32.600 -0.162 0.000 1.534 227 M HN -0.054 nan 8.290 nan 0.000 0.488 228 P HA 0.039 nan 4.420 nan 0.000 0.265 228 P C 0.894 178.219 177.300 0.042 0.000 1.187 228 P CA 0.315 63.437 63.100 0.036 0.000 0.766 228 P CB 0.197 31.892 31.700 -0.009 0.000 0.820 229 G N 3.137 111.912 108.800 -0.043 0.000 2.681 229 G HA2 -0.393 3.567 3.960 0.000 0.000 0.220 229 G HA3 -0.393 3.567 3.960 0.000 0.000 0.220 229 G C 1.535 176.355 174.900 -0.133 0.000 1.210 229 G CA 1.239 46.208 45.100 -0.218 0.000 0.783 229 G HN 0.578 nan 8.290 nan 0.000 0.609 230 A N 0.450 123.175 122.820 -0.159 0.000 1.978 230 A HA -0.041 4.279 4.320 0.000 0.000 0.220 230 A C 2.206 179.783 177.584 -0.013 0.000 1.170 230 A CA 2.031 54.011 52.037 -0.094 0.000 0.636 230 A CB -0.380 18.566 19.000 -0.090 0.000 0.810 230 A HN 0.560 nan 8.150 nan 0.000 0.448 231 E N -0.218 119.990 120.200 0.013 0.000 2.106 231 E HA -0.185 4.165 4.350 0.000 0.000 0.192 231 E C 1.906 178.582 176.600 0.126 0.000 0.984 231 E CA 1.229 57.660 56.400 0.052 0.000 0.806 231 E CB -0.194 29.524 29.700 0.030 0.000 0.750 231 E HN 0.756 nan 8.360 nan 0.000 0.458 232 E N 0.409 120.714 120.200 0.176 0.000 2.072 232 E HA -0.145 4.205 4.350 0.000 0.000 0.191 232 E C 2.092 178.791 176.600 0.165 0.000 0.985 232 E CA 0.804 57.355 56.400 0.252 0.000 0.801 232 E CB -0.025 29.879 29.700 0.340 0.000 0.750 232 E HN 0.203 nan 8.360 nan 0.000 0.452 233 M N 0.848 120.525 119.600 0.128 0.000 2.159 233 M HA -0.145 4.335 4.480 0.000 0.000 0.263 233 M C 1.900 178.229 176.300 0.048 0.000 1.063 233 M CA 1.418 56.765 55.300 0.078 0.000 1.110 233 M CB -0.839 31.783 32.600 0.037 0.000 1.374 233 M HN 0.119 nan 8.290 nan 0.000 0.411 234 E N 0.288 120.518 120.200 0.051 0.000 2.085 234 E HA -0.155 4.195 4.350 0.000 0.000 0.194 234 E C 2.102 178.729 176.600 0.044 0.000 0.994 234 E CA 1.403 57.828 56.400 0.041 0.000 0.801 234 E CB -0.108 29.617 29.700 0.042 0.000 0.743 234 E HN 0.523 nan 8.360 nan 0.000 0.453 235 A N 1.190 124.056 122.820 0.075 0.000 1.902 235 A HA -0.172 4.148 4.320 0.000 0.000 0.217 235 A C 2.108 179.692 177.584 -0.000 0.000 1.181 235 A CA 1.018 53.088 52.037 0.056 0.000 0.623 235 A CB -0.325 18.731 19.000 0.093 0.000 0.818 235 A HN 0.125 nan 8.150 nan 0.000 0.443 236 I N -0.131 120.442 120.570 0.005 0.000 2.286 236 I HA -0.175 3.995 4.170 0.000 0.000 0.245 236 I C 2.950 179.051 176.117 -0.026 0.000 1.104 236 I CA 1.251 62.537 61.300 -0.023 0.000 1.397 236 I CB -1.557 36.436 38.000 -0.012 0.000 1.072 236 I HN 0.359 nan 8.210 nan 0.000 0.417 237 A N 0.973 123.787 122.820 -0.009 0.000 1.948 237 A HA -0.206 4.114 4.320 0.000 0.000 0.220 237 A C 2.536 180.109 177.584 -0.019 0.000 1.177 237 A CA 2.170 54.203 52.037 -0.007 0.000 0.636 237 A CB -0.762 18.243 19.000 0.009 0.000 0.815 237 A HN 0.425 nan 8.150 nan 0.000 0.449 238 A N -0.366 122.440 122.820 -0.024 0.000 1.969 238 A HA -0.016 4.304 4.320 0.000 0.000 0.218 238 A C 2.067 179.602 177.584 -0.083 0.000 1.169 238 A CA 1.464 53.476 52.037 -0.043 0.000 0.635 238 A CB -0.527 18.457 19.000 -0.026 0.000 0.810 238 A HN 0.526 nan 8.150 nan 0.000 0.445 239 I N -1.204 119.309 120.570 -0.095 0.000 2.406 239 I HA -0.137 4.033 4.170 0.000 0.000 0.249 239 I C 2.439 178.496 176.117 -0.100 0.000 1.122 239 I CA 0.836 62.044 61.300 -0.153 0.000 1.431 239 I CB -0.180 37.682 38.000 -0.230 0.000 1.087 239 I HN 0.068 nan 8.210 nan 0.000 0.424 240 K N 1.489 121.860 120.400 -0.048 0.000 2.026 240 K HA -0.078 4.242 4.320 0.000 0.000 0.208 240 K C 2.217 178.816 176.600 -0.002 0.000 1.048 240 K CA 1.746 58.038 56.287 0.008 0.000 0.929 240 K CB -0.533 31.977 32.500 0.018 0.000 0.713 240 K HN 0.289 nan 8.250 nan 0.000 0.439 241 A N 0.953 123.751 122.820 -0.037 0.000 1.908 241 A HA -0.206 4.114 4.320 0.000 0.000 0.218 241 A C 2.205 179.713 177.584 -0.127 0.000 1.181 241 A CA 2.071 54.075 52.037 -0.056 0.000 0.627 241 A CB -0.392 18.576 19.000 -0.054 0.000 0.818 241 A HN 0.274 nan 8.150 nan 0.000 0.445 242 R N -1.789 118.578 120.500 -0.221 0.000 2.119 242 R HA 0.048 4.388 4.340 0.000 0.000 0.222 242 R C -0.701 175.193 176.300 -0.677 0.000 1.088 242 R CA 0.978 56.793 56.100 -0.475 0.000 0.984 242 R CB -0.238 29.702 30.300 -0.601 0.000 0.884 242 R HN 0.352 nan 8.270 nan 0.000 0.447 243 F N -0.285 119.621 119.950 -0.072 0.000 2.710 243 F HA 0.404 4.931 4.527 0.000 0.000 0.345 243 F C -1.928 173.896 175.800 0.041 0.000 1.362 243 F CA -2.655 55.339 58.000 -0.011 0.000 1.175 243 F CB 1.944 40.939 39.000 -0.009 0.000 1.561 243 F HN -0.059 nan 8.300 nan 0.000 0.593 244 P HA -0.179 nan 4.420 nan 0.000 0.218 244 P C 1.066 178.548 177.300 0.303 0.000 1.146 244 P CA 1.756 64.958 63.100 0.169 0.000 0.813 244 P CB -0.003 31.753 31.700 0.094 0.000 0.778 245 H N -1.808 117.347 119.070 0.142 0.000 2.526 245 H HA 0.383 4.939 4.556 0.000 0.000 0.274 245 H C 0.593 175.999 175.328 0.130 0.000 0.999 245 H CA -0.770 55.349 56.048 0.119 0.000 1.157 245 H CB 0.349 30.173 29.762 0.103 0.000 1.407 245 H HN 0.096 nan 8.280 nan 0.000 0.568 246 A N 1.222 124.210 122.820 0.280 0.000 2.322 246 A HA 0.362 4.682 4.320 0.000 0.000 0.269 246 A C 0.186 177.863 177.584 0.156 0.000 1.094 246 A CA -0.433 51.752 52.037 0.246 0.000 0.807 246 A CB 0.445 19.699 19.000 0.423 0.000 1.047 246 A HN 0.379 nan 8.150 nan 0.000 0.487 247 R N 0.239 120.798 120.500 0.098 0.000 2.221 247 R HA 0.492 4.832 4.340 0.000 0.000 0.327 247 R C -1.223 175.086 176.300 0.016 0.000 1.033 247 R CA -0.136 55.979 56.100 0.025 0.000 0.887 247 R CB 1.208 31.498 30.300 -0.016 0.000 1.057 247 R HN 0.435 nan 8.270 nan 0.000 0.455 248 V N 2.120 122.016 119.914 -0.030 0.000 2.487 248 V HA 0.477 4.597 4.120 0.000 0.000 0.298 248 V C 0.002 175.978 176.094 -0.196 0.000 1.028 248 V CA -0.731 61.539 62.300 -0.050 0.000 0.860 248 V CB 1.830 33.647 31.823 -0.009 0.000 0.991 248 V HN 0.770 nan 8.190 nan 0.000 0.427 249 T N 4.304 118.685 114.554 -0.288 0.000 2.906 249 T HA 0.800 5.150 4.350 0.000 0.000 0.295 249 T C -1.612 172.924 174.700 -0.273 0.000 1.075 249 T CA -0.446 61.396 62.100 -0.430 0.000 1.005 249 T CB 1.664 69.981 68.868 -0.919 0.000 1.136 249 T HN 0.547 nan 8.240 nan 0.000 0.498 250 L N 2.761 123.855 121.223 -0.215 0.000 2.370 250 L HA 0.796 5.136 4.340 0.000 0.000 0.266 250 L C -1.494 175.266 176.870 -0.184 0.000 1.002 250 L CA -0.361 54.386 54.840 -0.154 0.000 0.818 250 L CB 2.216 44.242 42.059 -0.056 0.000 1.325 250 L HN 0.684 nan 8.230 nan 0.000 0.418 251 D N 4.618 124.907 120.400 -0.185 0.000 2.408 251 D HA 0.481 5.121 4.640 0.000 0.000 0.261 251 D C -2.291 173.860 176.300 -0.248 0.000 1.190 251 D CA -1.937 51.943 54.000 -0.200 0.000 0.910 251 D CB 1.796 42.525 40.800 -0.118 0.000 1.097 251 D HN 0.282 nan 8.370 nan 0.000 0.522 252 P HA 0.138 nan 4.420 nan 0.000 0.249 252 P C -0.424 176.657 177.300 -0.365 0.000 1.241 252 P CA 0.007 62.778 63.100 -0.548 0.000 0.781 252 P CB -0.145 30.714 31.700 -1.401 0.000 1.088 253 N N -1.006 117.546 118.700 -0.246 0.000 2.708 253 N HA -0.201 4.539 4.740 0.000 0.000 0.249 253 N C 0.920 176.345 175.510 -0.143 0.000 1.097 253 N CA 1.076 54.043 53.050 -0.139 0.000 0.710 253 N CB -1.591 36.875 38.487 -0.035 0.000 1.032 253 N HN 0.308 nan 8.380 nan 0.000 0.551 254 G N -2.142 106.515 108.800 -0.239 0.000 2.153 254 G HA2 -0.261 3.699 3.960 0.000 0.000 0.252 254 G HA3 -0.261 3.699 3.960 0.000 0.000 0.252 254 G C 0.961 175.784 174.900 -0.129 0.000 0.994 254 G CA 0.646 45.638 45.100 -0.181 0.000 0.698 254 G HN 0.945 nan 8.290 nan 0.000 0.521 255 A N -1.146 121.563 122.820 -0.184 0.000 2.168 255 A HA 0.377 4.697 4.320 0.000 0.000 0.215 255 A C 1.058 178.746 177.584 0.172 0.000 1.152 255 A CA 0.924 52.944 52.037 -0.027 0.000 0.716 255 A CB -0.162 18.841 19.000 0.005 0.000 0.794 255 A HN 0.567 nan 8.150 nan 0.000 0.465 256 W N 0.568 121.856 121.300 -0.021 0.000 2.375 256 W HA 0.527 5.187 4.660 0.000 0.000 0.336 256 W C 0.776 177.287 176.519 -0.014 0.000 1.160 256 W CA -1.177 56.159 57.345 -0.016 0.000 1.266 256 W CB 0.189 29.637 29.460 -0.019 0.000 1.195 256 W HN 0.234 nan 8.180 nan 0.000 0.599 257 S N 1.147 116.987 115.700 0.233 0.000 2.624 257 S HA 0.114 4.584 4.470 0.000 0.000 0.263 257 S C 0.901 175.596 174.600 0.159 0.000 1.287 257 S CA -0.546 57.739 58.200 0.142 0.000 0.990 257 S CB 0.855 64.110 63.200 0.091 0.000 0.950 257 S HN 0.449 nan 8.310 nan 0.000 0.561 258 L N 1.356 122.652 121.223 0.122 0.000 2.042 258 L HA -0.096 4.244 4.340 0.000 0.000 0.210 258 L C 1.962 178.925 176.870 0.154 0.000 1.076 258 L CA 1.919 56.847 54.840 0.147 0.000 0.749 258 L CB -1.356 40.761 42.059 0.096 0.000 0.893 258 L HN 0.728 nan 8.230 nan 0.000 0.432 259 N N 0.013 118.770 118.700 0.096 0.000 2.142 259 N HA -0.172 4.568 4.740 0.000 0.000 0.186 259 N C 1.749 177.292 175.510 0.054 0.000 1.023 259 N CA 1.660 54.749 53.050 0.064 0.000 0.852 259 N CB -0.184 38.323 38.487 0.034 0.000 0.998 259 N HN 0.548 nan 8.380 nan 0.000 0.424 260 E N 0.942 121.167 120.200 0.041 0.000 2.051 260 E HA -0.105 4.245 4.350 0.000 0.000 0.192 260 E C 2.019 178.609 176.600 -0.018 0.000 0.991 260 E CA 1.267 57.640 56.400 -0.044 0.000 0.799 260 E CB -0.133 29.508 29.700 -0.099 0.000 0.748 260 E HN 0.340 nan 8.360 nan 0.000 0.449 261 A N 1.221 124.162 122.820 0.201 0.000 1.883 261 A HA -0.215 4.105 4.320 0.000 0.000 0.217 261 A C 2.226 180.071 177.584 0.434 0.000 1.186 261 A CA 1.388 53.688 52.037 0.438 0.000 0.624 261 A CB -0.751 18.515 19.000 0.443 0.000 0.822 261 A HN 0.163 nan 8.150 nan 0.000 0.444 262 I N -0.247 120.523 120.570 0.334 0.000 2.163 262 I HA -0.317 3.853 4.170 0.000 0.000 0.243 262 I C 2.988 179.153 176.117 0.080 0.000 1.085 262 I CA 1.183 62.589 61.300 0.176 0.000 1.347 262 I CB -0.417 37.634 38.000 0.084 0.000 1.044 262 I HN 0.372 nan 8.210 nan 0.000 0.408 263 A N 0.889 123.732 122.820 0.037 0.000 1.902 263 A HA -0.151 4.169 4.320 0.000 0.000 0.217 263 A C 2.286 179.851 177.584 -0.031 0.000 1.181 263 A CA 1.459 53.487 52.037 -0.014 0.000 0.623 263 A CB -0.841 18.132 19.000 -0.045 0.000 0.818 263 A HN 0.411 nan 8.150 nan 0.000 0.443 264 L N -1.403 119.780 121.223 -0.067 0.000 2.217 264 L HA -0.157 4.183 4.340 0.000 0.000 0.211 264 L C 2.153 179.039 176.870 0.025 0.000 1.107 264 L CA 0.840 55.616 54.840 -0.107 0.000 0.783 264 L CB -0.319 41.519 42.059 -0.368 0.000 0.919 264 L HN 0.511 nan 8.230 nan 0.000 0.442 265 C N -1.719 117.654 119.300 0.122 0.000 2.820 265 C HA 0.072 4.532 4.460 0.000 0.000 0.323 265 C C 1.410 176.435 174.990 0.059 0.000 1.279 265 C CA -0.751 58.368 59.018 0.168 0.000 1.790 265 C CB -0.026 27.963 27.740 0.416 0.000 2.328 265 C HN 0.215 nan 8.230 nan 0.000 0.579 266 K N 1.105 121.514 120.400 0.015 0.000 2.472 266 K HA 0.310 4.630 4.320 0.000 0.000 0.280 266 K C 1.196 177.800 176.600 0.008 0.000 1.028 266 K CA 1.265 57.537 56.287 -0.025 0.000 1.045 266 K CB -0.116 32.365 32.500 -0.032 0.000 0.902 266 K HN 0.567 nan 8.250 nan 0.000 0.478 267 G N 3.049 111.859 108.800 0.016 0.000 2.195 267 G HA2 -0.215 3.745 3.960 0.000 0.000 0.246 267 G HA3 -0.215 3.745 3.960 0.000 0.000 0.246 267 G C 0.402 175.372 174.900 0.116 0.000 0.984 267 G CA -0.036 45.104 45.100 0.066 0.000 0.633 267 G HN 0.623 nan 8.290 nan 0.000 0.525 268 Q N 0.623 120.436 119.800 0.023 0.000 2.222 268 Q HA 0.313 4.653 4.340 0.000 0.000 0.206 268 Q C 2.176 178.059 176.000 -0.195 0.000 0.877 268 Q CA 0.725 56.449 55.803 -0.131 0.000 0.958 268 Q CB 0.208 28.897 28.738 -0.082 0.000 1.075 268 Q HN 0.598 nan 8.270 nan 0.000 0.483 269 G N 1.256 110.039 108.800 -0.029 0.000 2.462 269 G HA2 -0.266 3.694 3.960 0.000 0.000 0.220 269 G HA3 -0.266 3.694 3.960 0.000 0.000 0.220 269 G C 1.225 176.123 174.900 -0.003 0.000 1.121 269 G CA 0.951 46.054 45.100 0.005 0.000 0.758 269 G HN 0.560 nan 8.290 nan 0.000 0.559 270 H N -0.883 118.203 119.070 0.026 0.000 2.524 270 H HA 0.158 4.714 4.556 0.000 0.000 0.282 270 H C 1.989 177.336 175.328 0.030 0.000 1.016 270 H CA 0.433 56.498 56.048 0.027 0.000 1.270 270 H CB -0.201 29.575 29.762 0.024 0.000 1.394 270 H HN 0.243 nan 8.280 nan 0.000 0.568 271 L N 1.945 122.913 121.223 -0.424 0.000 2.262 271 L HA 0.131 4.471 4.340 0.000 0.000 0.197 271 L C 0.690 177.487 176.870 -0.121 0.000 1.073 271 L CA 0.652 55.337 54.840 -0.259 0.000 0.800 271 L CB 0.141 41.976 42.059 -0.372 0.000 0.987 271 L HN 0.184 nan 8.230 nan 0.000 0.470 272 V N -2.000 117.846 119.914 -0.114 0.000 2.383 272 V HA 0.600 4.720 4.120 0.000 0.000 0.275 272 V C 1.252 177.315 176.094 -0.051 0.000 1.036 272 V CA -0.153 62.102 62.300 -0.076 0.000 0.889 272 V CB 0.623 32.425 31.823 -0.036 0.000 0.985 272 V HN 0.252 nan 8.190 nan 0.000 0.459 273 A N 4.411 127.177 122.820 -0.090 0.000 1.930 273 A HA 0.235 4.555 4.320 0.000 0.000 0.217 273 A C 0.833 178.469 177.584 0.088 0.000 1.175 273 A CA 1.951 53.972 52.037 -0.027 0.000 0.627 273 A CB -0.410 18.558 19.000 -0.054 0.000 0.815 273 A HN 1.666 nan 8.150 nan 0.000 0.443 274 Y N -5.411 114.887 120.300 -0.004 0.000 2.641 274 Y HA 0.649 5.199 4.550 0.000 0.000 0.333 274 Y C -0.717 175.184 175.900 0.002 0.000 1.174 274 Y CA -1.595 56.511 58.100 0.011 0.000 1.057 274 Y CB 0.524 38.976 38.460 -0.013 0.000 1.322 274 Y HN 0.213 nan 8.280 nan 0.000 0.457 275 A N 1.717 124.697 122.820 0.266 0.000 2.271 275 A HA 0.517 4.837 4.320 0.000 0.000 0.317 275 A C -0.738 176.902 177.584 0.093 0.000 1.245 275 A CA -0.663 51.440 52.037 0.110 0.000 0.857 275 A CB 0.721 19.777 19.000 0.094 0.000 1.175 275 A HN 0.747 nan 8.150 nan 0.000 0.512 276 E N 3.032 123.251 120.200 0.033 0.000 2.152 276 E HA 0.179 4.529 4.350 0.000 0.000 0.285 276 E C -0.729 175.766 176.600 -0.174 0.000 1.043 276 E CA -0.425 55.962 56.400 -0.021 0.000 0.839 276 E CB 0.230 29.938 29.700 0.012 0.000 1.069 276 E HN 0.669 nan 8.360 nan 0.000 0.399 277 D N 4.778 125.069 120.400 -0.183 0.000 2.755 277 D HA -0.163 4.477 4.640 0.000 0.000 0.227 277 D C -1.819 174.257 176.300 -0.372 0.000 1.211 277 D CA 0.106 53.965 54.000 -0.235 0.000 0.663 277 D CB -0.501 40.190 40.800 -0.182 0.000 0.983 277 D HN 0.500 nan 8.370 nan 0.000 0.407 278 P HA -0.152 nan 4.420 nan 0.000 0.214 278 P C 0.934 177.975 177.300 -0.431 0.000 1.163 278 P CA 1.454 64.174 63.100 -0.632 0.000 0.889 278 P CB 0.170 31.377 31.700 -0.821 0.000 0.790 279 C N -4.211 114.910 119.300 -0.299 0.000 2.973 279 C HA 0.945 5.405 4.460 0.000 0.000 0.329 279 C C 0.572 175.511 174.990 -0.086 0.000 1.327 279 C CA -0.414 58.536 59.018 -0.114 0.000 1.632 279 C CB 1.398 29.133 27.740 -0.009 0.000 2.098 279 C HN 0.341 nan 8.230 nan 0.000 0.469 280 G N -0.708 108.079 108.800 -0.022 0.000 3.135 280 G HA2 0.801 4.761 3.960 0.000 0.000 0.278 280 G HA3 0.801 4.761 3.960 0.000 0.000 0.278 280 G C -3.336 171.584 174.900 0.034 0.000 1.302 280 G CA -1.190 43.908 45.100 -0.004 0.000 0.880 280 G HN 0.598 nan 8.290 nan 0.000 0.574 281 P HA 0.223 nan 4.420 nan 0.000 0.265 281 P C -0.718 176.628 177.300 0.077 0.000 1.193 281 P CA 0.424 63.566 63.100 0.069 0.000 0.765 281 P CB 0.565 32.297 31.700 0.053 0.000 0.823 282 E N 1.528 121.798 120.200 0.116 0.000 2.375 282 E HA 0.580 4.930 4.350 0.000 0.000 0.280 282 E C -0.829 175.880 176.600 0.181 0.000 0.972 282 E CA -1.323 55.146 56.400 0.115 0.000 0.782 282 E CB 1.059 30.816 29.700 0.095 0.000 1.229 282 E HN 0.324 nan 8.360 nan 0.000 0.439 283 A N 1.255 124.154 122.820 0.132 0.000 2.826 283 A HA -0.098 4.222 4.320 0.000 0.000 0.274 283 A C 1.391 179.026 177.584 0.086 0.000 1.443 283 A CA 1.718 53.843 52.037 0.147 0.000 0.833 283 A CB -2.406 16.732 19.000 0.229 0.000 1.023 283 A HN 2.292 nan 8.150 nan 0.000 0.600 284 G N -4.035 104.771 108.800 0.009 0.000 2.176 284 G HA2 -0.269 3.691 3.960 0.000 0.000 0.253 284 G HA3 -0.269 3.691 3.960 0.000 0.000 0.253 284 G C -0.022 174.717 174.900 -0.268 0.000 0.979 284 G CA 0.724 45.739 45.100 -0.142 0.000 0.641 284 G HN 1.507 nan 8.290 nan 0.000 0.530 285 Y N 1.894 122.202 120.300 0.014 0.000 2.334 285 Y HA 0.568 5.118 4.550 0.000 0.000 0.328 285 Y C 1.224 177.131 175.900 0.013 0.000 1.130 285 Y CA -0.171 57.938 58.100 0.015 0.000 1.163 285 Y CB 1.449 39.924 38.460 0.026 0.000 1.207 285 Y HN 0.353 nan 8.280 nan 0.000 0.471 286 S N 0.510 116.294 115.700 0.140 0.000 2.600 286 S HA 0.216 4.686 4.470 0.000 0.000 0.265 286 S C 1.475 176.134 174.600 0.099 0.000 1.325 286 S CA -0.319 57.932 58.200 0.084 0.000 1.002 286 S CB 1.047 64.272 63.200 0.042 0.000 0.921 286 S HN 0.967 nan 8.310 nan 0.000 0.554 287 G N 0.963 109.803 108.800 0.067 0.000 2.469 287 G HA2 -0.233 3.727 3.960 0.000 0.000 0.220 287 G HA3 -0.233 3.727 3.960 0.000 0.000 0.220 287 G C 1.539 176.476 174.900 0.062 0.000 1.136 287 G CA 0.714 45.846 45.100 0.054 0.000 0.759 287 G HN 0.796 nan 8.290 nan 0.000 0.562 288 R N 0.209 120.753 120.500 0.073 0.000 2.092 288 R HA 0.037 4.377 4.340 0.000 0.000 0.231 288 R C 2.569 178.928 176.300 0.099 0.000 1.119 288 R CA 1.319 57.471 56.100 0.086 0.000 0.970 288 R CB -0.214 30.148 30.300 0.103 0.000 0.864 288 R HN 0.469 nan 8.270 nan 0.000 0.440 289 E N 0.021 120.287 120.200 0.110 0.000 2.047 289 E HA -0.149 4.201 4.350 0.000 0.000 0.191 289 E C 2.029 178.680 176.600 0.084 0.000 0.987 289 E CA 1.401 57.876 56.400 0.125 0.000 0.799 289 E CB 0.018 29.844 29.700 0.210 0.000 0.752 289 E HN 0.072 nan 8.360 nan 0.000 0.449 290 V N 1.428 121.391 119.914 0.082 0.000 2.295 290 V HA -0.278 3.842 4.120 0.000 0.000 0.246 290 V C 2.347 178.497 176.094 0.093 0.000 1.049 290 V CA 1.476 63.807 62.300 0.052 0.000 1.024 290 V CB -0.383 31.476 31.823 0.061 0.000 0.648 290 V HN 0.351 nan 8.190 nan 0.000 0.447 291 M N -0.298 119.357 119.600 0.093 0.000 2.213 291 M HA -0.153 4.327 4.480 0.000 0.000 0.263 291 M C 2.363 178.770 176.300 0.177 0.000 1.062 291 M CA 2.038 57.414 55.300 0.127 0.000 1.105 291 M CB -1.102 31.539 32.600 0.069 0.000 1.385 291 M HN 0.455 nan 8.290 nan 0.000 0.417 292 A N 0.242 123.141 122.820 0.131 0.000 1.930 292 A HA -0.156 4.164 4.320 0.000 0.000 0.217 292 A C 2.001 179.645 177.584 0.100 0.000 1.175 292 A CA 1.494 53.606 52.037 0.124 0.000 0.627 292 A CB -0.579 18.491 19.000 0.116 0.000 0.815 292 A HN 0.551 nan 8.150 nan 0.000 0.443 293 E N -1.316 118.932 120.200 0.080 0.000 2.106 293 E HA -0.167 4.183 4.350 0.000 0.000 0.192 293 E C 1.735 178.383 176.600 0.081 0.000 0.984 293 E CA 1.231 57.658 56.400 0.045 0.000 0.806 293 E CB -0.280 29.413 29.700 -0.011 0.000 0.750 293 E HN 0.739 nan 8.360 nan 0.000 0.458 294 F N 2.231 122.188 119.950 0.012 0.000 2.134 294 F HA -0.180 4.347 4.527 0.000 0.000 0.299 294 F C 2.017 177.837 175.800 0.033 0.000 1.097 294 F CA 1.482 59.500 58.000 0.030 0.000 1.264 294 F CB 0.079 39.108 39.000 0.048 0.000 1.001 294 F HN -0.220 nan 8.300 nan 0.000 0.479 295 K N -0.119 120.324 120.400 0.071 0.000 2.032 295 K HA -0.249 4.071 4.320 0.000 0.000 0.209 295 K C 2.265 178.799 176.600 -0.111 0.000 1.048 295 K CA 1.612 57.881 56.287 -0.030 0.000 0.927 295 K CB -0.291 32.267 32.500 0.098 0.000 0.712 295 K HN 0.086 nan 8.250 nan 0.000 0.441 296 R N 1.028 121.492 120.500 -0.059 0.000 2.096 296 R HA -0.078 4.262 4.340 0.000 0.000 0.235 296 R C 1.814 178.054 176.300 -0.100 0.000 1.127 296 R CA 1.787 57.849 56.100 -0.063 0.000 0.968 296 R CB -0.571 29.710 30.300 -0.032 0.000 0.861 296 R HN 0.211 nan 8.270 nan 0.000 0.440 297 A N -1.306 121.430 122.820 -0.141 0.000 2.016 297 A HA -0.044 4.276 4.320 0.000 0.000 0.217 297 A C 1.972 179.436 177.584 -0.200 0.000 1.162 297 A CA 1.672 53.621 52.037 -0.147 0.000 0.662 297 A CB -0.426 18.500 19.000 -0.123 0.000 0.812 297 A HN 0.589 nan 8.150 nan 0.000 0.450 298 T N -6.381 107.979 114.554 -0.323 0.000 2.964 298 T HA 0.404 4.754 4.350 0.000 0.000 0.249 298 T C 1.517 176.096 174.700 -0.202 0.000 1.000 298 T CA 1.167 63.073 62.100 -0.323 0.000 0.992 298 T CB 0.043 68.538 68.868 -0.621 0.000 1.087 298 T HN 1.633 nan 8.240 nan 0.000 0.489 299 G N 1.957 110.648 108.800 -0.181 0.000 2.168 299 G HA2 -0.190 3.770 3.960 0.000 0.000 0.263 299 G HA3 -0.190 3.770 3.960 0.000 0.000 0.263 299 G C 0.052 174.923 174.900 -0.048 0.000 0.977 299 G CA 0.242 45.291 45.100 -0.086 0.000 0.659 299 G HN 0.595 nan 8.290 nan 0.000 0.533 300 I N 1.461 121.984 120.570 -0.078 0.000 2.441 300 I HA 0.259 4.429 4.170 0.000 0.000 0.287 300 I C -1.702 174.501 176.117 0.144 0.000 1.049 300 I CA -2.781 58.551 61.300 0.052 0.000 1.381 300 I CB 0.656 38.732 38.000 0.126 0.000 1.409 300 I HN -0.138 nan 8.210 nan 0.000 0.523 301 P HA 0.086 nan 4.420 nan 0.000 0.268 301 P C -0.345 177.080 177.300 0.208 0.000 1.205 301 P CA 0.059 63.250 63.100 0.152 0.000 0.771 301 P CB 0.396 32.178 31.700 0.137 0.000 0.858 302 T N -0.197 114.442 114.554 0.142 0.000 2.888 302 T HA 0.825 5.175 4.350 0.000 0.000 0.284 302 T C -0.505 174.168 174.700 -0.046 0.000 1.017 302 T CA -0.844 61.321 62.100 0.107 0.000 1.022 302 T CB 1.773 70.721 68.868 0.133 0.000 1.013 302 T HN 0.368 nan 8.240 nan 0.000 0.465 303 A N 1.373 124.143 122.820 -0.084 0.000 2.387 303 A HA 0.965 5.286 4.320 0.000 0.000 0.303 303 A C -0.071 177.442 177.584 -0.117 0.000 1.145 303 A CA -0.955 50.961 52.037 -0.203 0.000 0.801 303 A CB 1.906 20.662 19.000 -0.407 0.000 1.342 303 A HN 1.116 nan 8.150 nan 0.000 0.440 304 T N -0.024 114.453 114.554 -0.129 0.000 2.942 304 T HA 0.448 4.798 4.350 0.000 0.000 0.327 304 T C -1.255 173.375 174.700 -0.116 0.000 1.360 304 T CA -0.187 61.850 62.100 -0.105 0.000 1.055 304 T CB 0.905 69.733 68.868 -0.068 0.000 1.261 304 T HN 1.015 nan 8.240 nan 0.000 0.485 305 N N 3.527 122.131 118.700 -0.161 0.000 2.377 305 N HA 0.188 4.928 4.740 0.000 0.000 0.259 305 N C 0.347 175.734 175.510 -0.206 0.000 1.332 305 N CA -0.301 52.597 53.050 -0.252 0.000 0.877 305 N CB 0.312 38.387 38.487 -0.685 0.000 1.299 305 N HN 0.576 nan 8.380 nan 0.000 0.501 306 M N -0.071 119.461 119.600 -0.114 0.000 2.447 306 M HA 0.344 4.824 4.480 0.000 0.000 0.255 306 M C 1.509 177.793 176.300 -0.025 0.000 1.289 306 M CA 0.380 55.634 55.300 -0.076 0.000 1.128 306 M CB 0.573 33.129 32.600 -0.073 0.000 1.540 306 M HN 0.142 nan 8.290 nan 0.000 0.557 307 I N -2.469 118.096 120.570 -0.009 0.000 4.082 307 I HA 0.518 4.688 4.170 0.000 0.000 0.337 307 I C 0.430 176.582 176.117 0.059 0.000 1.352 307 I CA -0.164 61.151 61.300 0.025 0.000 1.097 307 I CB 0.516 38.530 38.000 0.023 0.000 1.048 307 I HN 0.017 nan 8.210 nan 0.000 0.393 308 A N 1.565 124.425 122.820 0.067 0.000 3.410 308 A HA 0.415 4.735 4.320 0.000 0.000 0.276 308 A C 0.802 178.517 177.584 0.218 0.000 0.995 308 A CA 0.118 52.228 52.037 0.121 0.000 0.934 308 A CB -0.625 18.426 19.000 0.084 0.000 1.191 308 A HN 0.387 nan 8.150 nan 0.000 0.511 309 T N -2.884 111.757 114.554 0.145 0.000 3.086 309 T HA 0.321 4.671 4.350 0.000 0.000 0.250 309 T C 0.214 174.784 174.700 -0.217 0.000 1.074 309 T CA 0.752 62.918 62.100 0.109 0.000 0.988 309 T CB -0.403 68.463 68.868 -0.002 0.000 0.988 309 T HN 0.608 nan 8.240 nan 0.000 0.530 310 D N -1.881 118.401 120.400 -0.197 0.000 2.626 310 D HA 0.283 4.923 4.640 0.000 0.000 0.278 310 D C -0.044 176.219 176.300 -0.062 0.000 1.211 310 D CA -1.178 52.516 54.000 -0.511 0.000 0.903 310 D CB -0.083 40.556 40.800 -0.269 0.000 1.408 310 D HN 0.012 nan 8.370 nan 0.000 0.454 311 W N -0.156 121.185 121.300 0.069 0.000 2.374 311 W HA 0.032 4.692 4.660 0.000 0.000 0.288 311 W C 2.545 179.134 176.519 0.116 0.000 1.218 311 W CA 0.988 58.461 57.345 0.214 0.000 1.245 311 W CB -0.083 29.481 29.460 0.173 0.000 1.126 311 W HN 0.429 nan 8.180 nan 0.000 0.545 312 R N 0.674 121.333 120.500 0.264 0.000 2.070 312 R HA -0.207 4.133 4.340 0.000 0.000 0.233 312 R C 2.045 178.434 176.300 0.149 0.000 1.137 312 R CA 2.011 58.207 56.100 0.160 0.000 0.945 312 R CB -0.506 29.878 30.300 0.140 0.000 0.845 312 R HN 0.223 nan 8.270 nan 0.000 0.430 313 Q N -0.223 119.682 119.800 0.176 0.000 2.124 313 Q HA -0.209 4.131 4.340 0.000 0.000 0.202 313 Q C 2.089 178.197 176.000 0.180 0.000 0.977 313 Q CA 1.847 57.767 55.803 0.196 0.000 0.850 313 Q CB -0.120 28.701 28.738 0.139 0.000 0.901 313 Q HN 0.282 nan 8.270 nan 0.000 0.429 314 M N 0.337 120.042 119.600 0.175 0.000 2.117 314 M HA -0.083 4.397 4.480 0.000 0.000 0.262 314 M C 1.876 178.269 176.300 0.154 0.000 1.065 314 M CA 1.990 57.382 55.300 0.154 0.000 1.114 314 M CB -0.741 31.937 32.600 0.130 0.000 1.361 314 M HN 0.196 nan 8.290 nan 0.000 0.408 315 G N -0.529 108.355 108.800 0.139 0.000 2.514 315 G HA2 -0.277 3.683 3.960 0.000 0.000 0.217 315 G HA3 -0.277 3.683 3.960 0.000 0.000 0.217 315 G C 1.445 176.343 174.900 -0.004 0.000 1.198 315 G CA 1.375 46.505 45.100 0.049 0.000 0.780 315 G HN 0.598 nan 8.290 nan 0.000 0.565 316 H N 0.871 120.011 119.070 0.116 0.000 2.352 316 H HA -0.014 4.542 4.556 0.000 0.000 0.299 316 H C 2.949 178.322 175.328 0.075 0.000 1.097 316 H CA 1.294 57.395 56.048 0.087 0.000 1.311 316 H CB -0.688 29.123 29.762 0.082 0.000 1.377 316 H HN 0.401 nan 8.280 nan 0.000 0.504 317 A N 0.673 123.606 122.820 0.187 0.000 1.972 317 A HA -0.082 4.238 4.320 0.000 0.000 0.219 317 A C 2.837 180.469 177.584 0.081 0.000 1.169 317 A CA 1.445 53.558 52.037 0.126 0.000 0.635 317 A CB -0.694 18.368 19.000 0.104 0.000 0.810 317 A HN 0.225 nan 8.150 nan 0.000 0.446 318 V N -0.521 119.438 119.914 0.076 0.000 2.379 318 V HA -0.208 3.912 4.120 0.000 0.000 0.245 318 V C 2.670 178.685 176.094 -0.132 0.000 1.044 318 V CA 2.154 64.466 62.300 0.020 0.000 1.036 318 V CB -0.530 31.377 31.823 0.140 0.000 0.664 318 V HN 0.671 nan 8.190 nan 0.000 0.453 319 Q N 0.069 119.844 119.800 -0.041 0.000 2.170 319 Q HA -0.107 4.233 4.340 0.000 0.000 0.203 319 Q C 1.786 177.757 176.000 -0.048 0.000 0.976 319 Q CA 1.763 57.531 55.803 -0.059 0.000 0.858 319 Q CB -0.309 28.462 28.738 0.055 0.000 0.907 319 Q HN 0.625 nan 8.270 nan 0.000 0.433 320 L N -1.004 120.236 121.223 0.029 0.000 2.592 320 L HA 0.121 4.461 4.340 0.000 0.000 0.227 320 L C -0.372 176.626 176.870 0.212 0.000 1.127 320 L CA -0.001 54.918 54.840 0.131 0.000 0.884 320 L CB -0.231 41.907 42.059 0.131 0.000 1.065 320 L HN 0.348 nan 8.230 nan 0.000 0.457 321 H N -1.038 118.078 119.070 0.077 0.000 2.604 321 H HA -0.213 4.343 4.556 0.000 0.000 0.321 321 H C 1.165 176.536 175.328 0.072 0.000 1.132 321 H CA 0.463 56.552 56.048 0.068 0.000 1.129 321 H CB -1.079 28.713 29.762 0.050 0.000 1.526 321 H HN 0.422 nan 8.280 nan 0.000 0.415 322 A N -0.185 122.722 122.820 0.145 0.000 2.220 322 A HA 0.443 4.763 4.320 0.000 0.000 0.211 322 A C 0.516 178.161 177.584 0.102 0.000 1.176 322 A CA 0.806 52.919 52.037 0.126 0.000 0.834 322 A CB 0.916 19.980 19.000 0.107 0.000 0.868 322 A HN 0.150 nan 8.150 nan 0.000 0.488 323 V N 1.002 120.967 119.914 0.085 0.000 2.532 323 V HA 0.200 4.320 4.120 0.000 0.000 0.294 323 V C -0.534 175.580 176.094 0.032 0.000 1.036 323 V CA -0.679 61.646 62.300 0.041 0.000 0.876 323 V CB 1.573 33.406 31.823 0.017 0.000 1.012 323 V HN 0.382 nan 8.190 nan 0.000 0.432 324 D N 3.588 123.996 120.400 0.014 0.000 2.249 324 D HA 0.139 4.779 4.640 0.000 0.000 0.205 324 D C 0.534 176.794 176.300 -0.067 0.000 0.962 324 D CA 1.334 55.335 54.000 0.001 0.000 0.860 324 D CB 1.096 41.901 40.800 0.009 0.000 0.955 324 D HN 0.448 nan 8.370 nan 0.000 0.505 325 I N 1.861 122.341 120.570 -0.149 0.000 2.623 325 I HA 0.185 4.355 4.170 0.000 0.000 0.275 325 I C -2.690 173.276 176.117 -0.252 0.000 1.108 325 I CA -1.889 59.258 61.300 -0.256 0.000 1.120 325 I CB 2.276 39.967 38.000 -0.515 0.000 1.249 325 I HN -0.391 nan 8.210 nan 0.000 0.500 326 P HA 0.208 nan 4.420 nan 0.000 0.276 326 P C -0.724 176.381 177.300 -0.325 0.000 1.243 326 P CA 0.047 63.021 63.100 -0.209 0.000 0.768 326 P CB 0.566 32.150 31.700 -0.193 0.000 0.856 327 L N 2.878 123.944 121.223 -0.261 0.000 2.264 327 L HA 0.643 4.983 4.340 0.000 0.000 0.289 327 L C 0.463 177.239 176.870 -0.157 0.000 1.044 327 L CA -0.572 54.100 54.840 -0.280 0.000 0.807 327 L CB 1.167 43.174 42.059 -0.086 0.000 1.192 327 L HN 0.323 nan 8.230 nan 0.000 0.425 328 A N 2.272 124.834 122.820 -0.430 0.000 2.586 328 A HA 0.284 4.604 4.320 0.000 0.000 0.320 328 A C -0.625 176.844 177.584 -0.193 0.000 1.281 328 A CA -0.604 51.130 52.037 -0.505 0.000 0.775 328 A CB 0.353 18.698 19.000 -1.091 0.000 1.122 328 A HN 0.657 nan 8.150 nan 0.000 0.470 329 D N 3.726 124.030 120.400 -0.161 0.000 2.434 329 D HA 0.127 4.767 4.640 0.000 0.000 0.252 329 D C -1.397 175.118 176.300 0.359 0.000 1.185 329 D CA -1.448 52.546 54.000 -0.011 0.000 0.886 329 D CB 1.199 41.822 40.800 -0.293 0.000 1.148 329 D HN 0.201 nan 8.370 nan 0.000 0.483 330 P HA -0.134 nan 4.420 nan 0.000 0.221 330 P C 0.560 177.883 177.300 0.037 0.000 1.145 330 P CA 1.263 64.445 63.100 0.138 0.000 0.795 330 P CB 0.054 31.720 31.700 -0.056 0.000 0.775 331 H N -2.704 116.452 119.070 0.143 0.000 2.457 331 H HA 0.002 4.558 4.556 0.000 0.000 0.294 331 H C 1.153 176.450 175.328 -0.052 0.000 1.064 331 H CA 1.144 57.213 56.048 0.034 0.000 1.330 331 H CB -0.638 29.148 29.762 0.041 0.000 1.395 331 H HN 0.168 nan 8.280 nan 0.000 0.541 332 F N -2.978 117.115 119.950 0.239 0.000 2.731 332 F HA 0.131 4.658 4.527 0.000 0.000 0.298 332 F C 0.679 176.480 175.800 0.002 0.000 1.106 332 F CA -0.115 57.961 58.000 0.126 0.000 1.329 332 F CB 0.310 39.405 39.000 0.159 0.000 1.100 332 F HN 0.120 nan 8.300 nan 0.000 0.592 333 W N 0.604 122.024 121.300 0.199 0.000 3.008 333 W HA 0.271 4.931 4.660 0.000 0.000 0.355 333 W C 0.561 177.146 176.519 0.110 0.000 1.095 333 W CA 0.674 58.104 57.345 0.142 0.000 1.738 333 W CB -0.266 29.263 29.460 0.116 0.000 1.091 333 W HN -0.033 nan 8.180 nan 0.000 0.574 334 T N -2.811 111.883 114.554 0.233 0.000 0.541 334 T HA -0.353 3.997 4.350 0.000 0.000 0.774 334 T C 0.650 175.427 174.700 0.128 0.000 0.992 334 T CA 0.727 62.902 62.100 0.125 0.000 4.077 334 T CB -0.702 68.231 68.868 0.108 0.000 2.303 334 T HN 0.146 nan 8.240 nan 0.000 0.398 335 M N 1.170 120.791 119.600 0.035 0.000 2.067 335 M HA -0.128 4.352 4.480 0.000 0.000 0.260 335 M C 2.718 179.047 176.300 0.047 0.000 1.069 335 M CA 2.231 57.542 55.300 0.019 0.000 1.117 335 M CB -0.542 32.037 32.600 -0.035 0.000 1.334 335 M HN 0.663 nan 8.290 nan 0.000 0.407 336 Q N -0.157 119.673 119.800 0.051 0.000 2.170 336 Q HA -0.090 4.250 4.340 0.000 0.000 0.203 336 Q C 2.200 178.269 176.000 0.115 0.000 0.976 336 Q CA 1.841 57.676 55.803 0.054 0.000 0.858 336 Q CB -0.575 28.189 28.738 0.043 0.000 0.907 336 Q HN 0.689 nan 8.270 nan 0.000 0.433 337 G N 0.064 108.987 108.800 0.206 0.000 2.396 337 G HA2 -0.204 3.756 3.960 0.000 0.000 0.214 337 G HA3 -0.204 3.756 3.960 0.000 0.000 0.214 337 G C 1.563 176.649 174.900 0.310 0.000 1.166 337 G CA 0.815 46.140 45.100 0.375 0.000 0.793 337 G HN 0.379 nan 8.290 nan 0.000 0.533 338 S N -0.156 115.683 115.700 0.231 0.000 2.374 338 S HA -0.145 4.325 4.470 0.000 0.000 0.227 338 S C 2.475 177.056 174.600 -0.031 0.000 1.037 338 S CA 1.686 59.949 58.200 0.104 0.000 1.024 338 S CB -0.301 63.038 63.200 0.231 0.000 0.861 338 S HN 0.105 nan 8.310 nan 0.000 0.456 339 V N 1.500 121.365 119.914 -0.082 0.000 2.515 339 V HA -0.065 4.055 4.120 0.000 0.000 0.250 339 V C 2.572 178.558 176.094 -0.180 0.000 1.058 339 V CA 1.981 64.132 62.300 -0.248 0.000 1.064 339 V CB -0.706 31.014 31.823 -0.171 0.000 0.675 339 V HN 0.435 nan 8.190 nan 0.000 0.461 340 R N -0.114 120.383 120.500 -0.006 0.000 2.081 340 R HA -0.127 4.213 4.340 0.000 0.000 0.235 340 R C 2.204 178.569 176.300 0.109 0.000 1.131 340 R CA 1.489 57.637 56.100 0.080 0.000 0.960 340 R CB -0.305 30.128 30.300 0.222 0.000 0.856 340 R HN 0.387 nan 8.270 nan 0.000 0.436 341 V N 0.879 120.827 119.914 0.056 0.000 2.332 341 V HA -0.260 3.860 4.120 0.000 0.000 0.248 341 V C 2.409 178.424 176.094 -0.131 0.000 1.055 341 V CA 1.985 64.199 62.300 -0.144 0.000 1.038 341 V CB -0.756 30.777 31.823 -0.482 0.000 0.651 341 V HN 0.541 nan 8.190 nan 0.000 0.450 342 A N -0.932 121.681 122.820 -0.346 0.000 1.902 342 A HA -0.270 4.050 4.320 0.000 0.000 0.217 342 A C 2.191 179.591 177.584 -0.306 0.000 1.181 342 A CA 1.838 53.521 52.037 -0.590 0.000 0.623 342 A CB -0.450 17.709 19.000 -1.402 0.000 0.818 342 A HN 0.620 nan 8.150 nan 0.000 0.443 343 Q N -1.195 118.450 119.800 -0.259 0.000 2.084 343 Q HA -0.151 4.189 4.340 0.000 0.000 0.202 343 Q C 2.084 177.964 176.000 -0.201 0.000 0.978 343 Q CA 1.445 57.133 55.803 -0.191 0.000 0.844 343 Q CB -0.296 28.350 28.738 -0.154 0.000 0.898 343 Q HN 0.565 nan 8.270 nan 0.000 0.426 344 L N 0.178 121.267 121.223 -0.223 0.000 2.027 344 L HA -0.172 4.168 4.340 0.000 0.000 0.206 344 L C 2.220 178.890 176.870 -0.332 0.000 1.074 344 L CA 1.582 56.179 54.840 -0.404 0.000 0.745 344 L CB -0.669 41.180 42.059 -0.350 0.000 0.898 344 L HN 0.297 nan 8.230 nan 0.000 0.433 345 C N -0.244 118.967 119.300 -0.148 0.000 2.393 345 C HA -0.228 4.232 4.460 0.000 0.000 0.276 345 C C 2.563 177.554 174.990 0.001 0.000 1.215 345 C CA 1.349 60.350 59.018 -0.028 0.000 1.743 345 C CB -1.084 26.685 27.740 0.048 0.000 2.044 345 C HN 0.703 nan 8.230 nan 0.000 0.464 346 D N 0.187 120.567 120.400 -0.033 0.000 2.149 346 D HA -0.128 4.512 4.640 0.000 0.000 0.198 346 D C 2.170 178.484 176.300 0.023 0.000 0.990 346 D CA 1.295 55.291 54.000 -0.007 0.000 0.839 346 D CB -0.199 40.576 40.800 -0.043 0.000 0.948 346 D HN 0.495 nan 8.370 nan 0.000 0.460 347 E N -0.761 119.425 120.200 -0.024 0.000 2.107 347 E HA -0.122 4.228 4.350 0.000 0.000 0.191 347 E C 1.090 177.899 176.600 0.348 0.000 0.982 347 E CA 0.642 57.083 56.400 0.068 0.000 0.809 347 E CB -0.245 29.399 29.700 -0.093 0.000 0.756 347 E HN 0.565 nan 8.360 nan 0.000 0.459 348 W N 0.374 121.690 121.300 0.026 0.000 3.223 348 W HA 0.376 5.036 4.660 0.000 0.000 0.389 348 W C 1.010 177.548 176.519 0.033 0.000 1.118 348 W CA -0.044 57.319 57.345 0.030 0.000 1.902 348 W CB -0.119 29.361 29.460 0.033 0.000 1.094 348 W HN 0.154 nan 8.180 nan 0.000 0.666 349 G N 0.855 109.789 108.800 0.223 0.000 2.160 349 G HA2 -0.303 3.657 3.960 0.000 0.000 0.251 349 G HA3 -0.303 3.657 3.960 0.000 0.000 0.251 349 G C 0.225 175.199 174.900 0.124 0.000 1.008 349 G CA 0.281 45.465 45.100 0.141 0.000 0.724 349 G HN 0.205 nan 8.290 nan 0.000 0.514 350 L N -0.738 120.566 121.223 0.135 0.000 2.472 350 L HA 0.730 5.070 4.340 0.000 0.000 0.256 350 L C 0.597 177.502 176.870 0.058 0.000 1.111 350 L CA -0.619 54.275 54.840 0.090 0.000 0.800 350 L CB 1.175 43.291 42.059 0.096 0.000 1.286 350 L HN 0.080 nan 8.230 nan 0.000 0.479 351 T N -0.536 114.032 114.554 0.023 0.000 2.864 351 T HA 0.195 4.545 4.350 0.000 0.000 0.299 351 T C -0.957 173.753 174.700 0.017 0.000 1.011 351 T CA -0.349 61.764 62.100 0.020 0.000 0.975 351 T CB 0.679 69.530 68.868 -0.028 0.000 0.962 351 T HN 0.431 nan 8.240 nan 0.000 0.448 352 W N 3.455 124.680 121.300 -0.125 0.000 2.170 352 W HA 0.566 5.226 4.660 0.000 0.000 0.336 352 W C 0.395 176.822 176.519 -0.154 0.000 1.283 352 W CA 0.555 57.805 57.345 -0.158 0.000 1.224 352 W CB 0.514 29.882 29.460 -0.153 0.000 1.132 352 W HN 0.811 nan 8.180 nan 0.000 0.571 353 G N 1.825 110.015 108.800 -1.018 0.000 2.749 353 G HA2 0.544 4.504 3.960 0.000 0.000 0.300 353 G HA3 0.544 4.504 3.960 0.000 0.000 0.300 353 G C -1.732 172.277 174.900 -1.486 0.000 1.352 353 G CA -0.716 43.714 45.100 -1.117 0.000 0.789 353 G HN 0.580 nan 8.290 nan 0.000 0.509 354 S N -1.402 113.758 115.700 -0.900 0.000 2.536 354 S HA 0.663 5.133 4.470 0.000 0.000 0.271 354 S C -0.955 173.446 174.600 -0.331 0.000 1.134 354 S CA -0.637 57.180 58.200 -0.639 0.000 0.897 354 S CB 1.095 63.964 63.200 -0.553 0.000 1.094 354 S HN 1.134 nan 8.310 nan 0.000 0.473 355 H N 0.377 119.366 119.070 -0.136 0.000 2.676 355 H HA 0.901 5.457 4.556 0.000 0.000 0.352 355 H C -0.061 175.365 175.328 0.164 0.000 1.193 355 H CA -0.489 55.550 56.048 -0.016 0.000 1.243 355 H CB 1.472 31.241 29.762 0.013 0.000 1.751 355 H HN 0.644 nan 8.280 nan 0.000 0.567 356 S N 0.792 116.746 115.700 0.423 0.000 2.720 356 S HA 0.559 5.029 4.470 0.000 0.000 0.287 356 S C -1.125 173.751 174.600 0.461 0.000 1.168 356 S CA -1.188 57.321 58.200 0.515 0.000 0.832 356 S CB 1.711 65.214 63.200 0.505 0.000 1.166 356 S HN 0.798 nan 8.310 nan 0.000 0.493 357 N N 0.170 119.009 118.700 0.231 0.000 2.509 357 N HA 0.401 5.141 4.740 0.000 0.000 0.280 357 N C -1.577 173.655 175.510 -0.463 0.000 1.306 357 N CA -0.750 52.139 53.050 -0.269 0.000 0.782 357 N CB 0.969 39.444 38.487 -0.019 0.000 1.493 357 N HN 0.714 nan 8.380 nan 0.000 0.498 358 N N 0.468 118.694 118.700 -0.790 0.000 2.294 358 N HA -0.013 4.727 4.740 0.000 0.000 0.263 358 N C -0.452 174.804 175.510 -0.424 0.000 1.281 358 N CA 0.950 53.549 53.050 -0.752 0.000 0.846 358 N CB 0.018 37.786 38.487 -1.198 0.000 1.061 358 N HN 0.552 nan 8.380 nan 0.000 0.478 359 H N -0.447 118.501 119.070 -0.204 0.000 2.947 359 H HA 0.631 5.187 4.556 0.000 0.000 0.290 359 H C -1.306 174.150 175.328 0.214 0.000 1.430 359 H CA -0.984 55.158 56.048 0.158 0.000 1.189 359 H CB 0.512 30.408 29.762 0.223 0.000 1.875 359 H HN 0.265 nan 8.280 nan 0.000 0.568 360 F N -0.288 120.038 119.950 0.627 0.000 2.629 360 F HA 0.213 4.740 4.527 0.000 0.000 0.386 360 F C 1.181 177.076 175.800 0.158 0.000 1.135 360 F CA -0.516 57.772 58.000 0.480 0.000 1.116 360 F CB 0.844 40.055 39.000 0.351 0.000 1.426 360 F HN 0.770 nan 8.300 nan 0.000 0.501 361 D N -0.596 119.874 120.400 0.118 0.000 2.347 361 D HA -0.046 4.594 4.640 0.000 0.000 0.215 361 D C 1.715 177.995 176.300 -0.033 0.000 0.976 361 D CA 0.730 54.586 54.000 -0.241 0.000 0.884 361 D CB -0.754 39.927 40.800 -0.199 0.000 0.915 361 D HN 0.187 nan 8.370 nan 0.000 0.526 362 V N 0.815 120.781 119.914 0.087 0.000 2.283 362 V HA -0.203 3.917 4.120 0.000 0.000 0.243 362 V C 2.619 178.726 176.094 0.021 0.000 1.039 362 V CA 1.717 64.047 62.300 0.050 0.000 1.016 362 V CB -0.683 31.173 31.823 0.054 0.000 0.650 362 V HN 0.194 nan 8.190 nan 0.000 0.449 363 S N -0.058 115.680 115.700 0.063 0.000 2.419 363 S HA -0.163 4.307 4.470 0.000 0.000 0.233 363 S C 1.838 176.326 174.600 -0.187 0.000 1.016 363 S CA 1.508 59.660 58.200 -0.080 0.000 0.974 363 S CB -0.376 62.781 63.200 -0.071 0.000 0.786 363 S HN 0.427 nan 8.310 nan 0.000 0.492 364 L N 1.812 123.011 121.223 -0.040 0.000 2.046 364 L HA 0.001 4.341 4.340 0.000 0.000 0.208 364 L C 2.307 179.213 176.870 0.060 0.000 1.077 364 L CA 1.926 56.790 54.840 0.040 0.000 0.747 364 L CB -0.984 40.943 42.059 -0.220 0.000 0.896 364 L HN 0.238 nan 8.230 nan 0.000 0.432 365 A N -0.831 122.003 122.820 0.023 0.000 1.933 365 A HA -0.222 4.098 4.320 0.000 0.000 0.218 365 A C 2.275 179.957 177.584 0.163 0.000 1.175 365 A CA 2.050 54.148 52.037 0.102 0.000 0.628 365 A CB -0.547 18.513 19.000 0.100 0.000 0.814 365 A HN 0.529 nan 8.150 nan 0.000 0.444 366 M N -1.850 117.760 119.600 0.017 0.000 2.086 366 M HA -0.112 4.368 4.480 0.000 0.000 0.261 366 M C 1.949 178.249 176.300 -0.001 0.000 1.067 366 M CA 1.558 56.816 55.300 -0.069 0.000 1.116 366 M CB -0.462 31.964 32.600 -0.290 0.000 1.348 366 M HN 0.424 nan 8.290 nan 0.000 0.407 367 F N 0.499 120.462 119.950 0.022 0.000 2.126 367 F HA -0.209 4.318 4.527 0.000 0.000 0.299 367 F C 2.683 178.520 175.800 0.061 0.000 1.096 367 F CA 1.575 59.602 58.000 0.044 0.000 1.255 367 F CB -1.406 37.608 39.000 0.023 0.000 0.997 367 F HN 0.138 nan 8.300 nan 0.000 0.479 368 T N -1.549 113.136 114.554 0.219 0.000 2.708 368 T HA -0.191 4.159 4.350 0.000 0.000 0.266 368 T C 1.879 176.567 174.700 -0.020 0.000 1.037 368 T CA 1.608 63.744 62.100 0.061 0.000 1.146 368 T CB -0.423 68.424 68.868 -0.036 0.000 0.865 368 T HN 0.335 nan 8.240 nan 0.000 0.435 369 H N 0.111 119.210 119.070 0.049 0.000 2.389 369 H HA 0.037 4.593 4.556 0.000 0.000 0.299 369 H C 2.475 177.804 175.328 0.001 0.000 1.081 369 H CA 1.046 57.102 56.048 0.013 0.000 1.345 369 H CB -0.354 29.402 29.762 -0.010 0.000 1.393 369 H HN 0.187 nan 8.280 nan 0.000 0.520 370 V N 1.177 121.174 119.914 0.138 0.000 2.261 370 V HA -0.240 3.880 4.120 0.000 0.000 0.246 370 V C 2.856 178.931 176.094 -0.032 0.000 1.047 370 V CA 1.643 63.982 62.300 0.067 0.000 1.015 370 V CB -0.975 30.946 31.823 0.163 0.000 0.642 370 V HN 0.450 nan 8.190 nan 0.000 0.446 371 A N -0.047 122.845 122.820 0.119 0.000 1.933 371 A HA -0.128 4.192 4.320 0.000 0.000 0.218 371 A C 2.378 179.939 177.584 -0.038 0.000 1.175 371 A CA 2.029 54.124 52.037 0.096 0.000 0.628 371 A CB -0.779 18.370 19.000 0.249 0.000 0.814 371 A HN 0.603 nan 8.150 nan 0.000 0.444 372 A N -0.666 122.137 122.820 -0.028 0.000 2.019 372 A HA 0.224 4.544 4.320 0.000 0.000 0.219 372 A C 2.137 179.677 177.584 -0.074 0.000 1.164 372 A CA 1.830 53.835 52.037 -0.054 0.000 0.644 372 A CB -0.541 18.406 19.000 -0.088 0.000 0.805 372 A HN 1.112 nan 8.150 nan 0.000 0.449 373 A N -1.250 121.506 122.820 -0.107 0.000 2.348 373 A HA 0.651 4.971 4.320 0.000 0.000 0.224 373 A C 1.108 178.549 177.584 -0.237 0.000 1.227 373 A CA 0.578 52.535 52.037 -0.134 0.000 0.885 373 A CB -0.419 18.521 19.000 -0.099 0.000 0.933 373 A HN 0.868 nan 8.150 nan 0.000 0.506 374 A N 1.975 124.582 122.820 -0.354 0.000 2.354 374 A HA 0.598 4.919 4.320 0.000 0.000 0.281 374 A C -2.468 174.953 177.584 -0.270 0.000 1.174 374 A CA -1.285 50.441 52.037 -0.517 0.000 0.828 374 A CB -0.009 18.431 19.000 -0.933 0.000 1.099 374 A HN 0.261 nan 8.150 nan 0.000 0.516 375 P HA 0.559 nan 4.420 nan 0.000 0.280 375 P C 0.762 178.018 177.300 -0.073 0.000 1.272 375 P CA 0.998 64.027 63.100 -0.118 0.000 0.819 375 P CB 0.904 32.542 31.700 -0.104 0.000 1.122 376 G N 1.159 109.937 108.800 -0.036 0.000 2.598 376 G HA2 -0.222 3.738 3.960 0.000 0.000 0.244 376 G HA3 -0.222 3.738 3.960 0.000 0.000 0.244 376 G C -0.798 174.109 174.900 0.012 0.000 1.302 376 G CA -0.399 44.697 45.100 -0.007 0.000 0.903 376 G HN 0.730 nan 8.290 nan 0.000 0.575 377 N N 0.940 119.656 118.700 0.028 0.000 2.408 377 N HA 0.525 5.265 4.740 0.000 0.000 0.257 377 N C 0.571 176.118 175.510 0.062 0.000 1.064 377 N CA 0.031 53.106 53.050 0.041 0.000 0.952 377 N CB 0.997 39.506 38.487 0.037 0.000 1.093 377 N HN 0.776 nan 8.380 nan 0.000 0.490 378 I N -2.007 118.614 120.570 0.084 0.000 2.947 378 I HA 0.583 4.753 4.170 0.000 0.000 0.314 378 I C 0.242 176.402 176.117 0.072 0.000 1.028 378 I CA -0.809 60.575 61.300 0.140 0.000 1.077 378 I CB 1.843 40.007 38.000 0.272 0.000 1.274 378 I HN 0.187 nan 8.210 nan 0.000 0.485 379 T N 1.951 116.521 114.554 0.026 0.000 2.918 379 T HA 0.599 4.949 4.350 0.000 0.000 0.283 379 T C 0.094 174.761 174.700 -0.055 0.000 1.001 379 T CA -0.315 61.773 62.100 -0.021 0.000 1.041 379 T CB 0.948 69.774 68.868 -0.070 0.000 1.028 379 T HN 0.839 nan 8.240 nan 0.000 0.511 380 A N 4.050 126.830 122.820 -0.067 0.000 2.520 380 A HA 0.406 4.726 4.320 0.000 0.000 0.245 380 A C 0.650 178.127 177.584 -0.178 0.000 1.072 380 A CA -0.341 51.619 52.037 -0.127 0.000 0.761 380 A CB -0.662 18.248 19.000 -0.149 0.000 1.004 380 A HN 0.897 nan 8.150 nan 0.000 0.499 381 I N -0.116 120.332 120.570 -0.204 0.000 2.581 381 I HA 0.387 4.557 4.170 0.000 0.000 0.288 381 I C -0.569 175.365 176.117 -0.305 0.000 1.047 381 I CA -0.882 60.243 61.300 -0.291 0.000 1.374 381 I CB 0.644 38.461 38.000 -0.305 0.000 1.423 381 I HN 0.450 nan 8.210 nan 0.000 0.549 382 D N 3.239 123.438 120.400 -0.335 0.000 2.449 382 D HA 0.266 4.906 4.640 0.000 0.000 0.236 382 D C -0.020 176.140 176.300 -0.232 0.000 1.149 382 D CA 0.582 54.407 54.000 -0.291 0.000 0.878 382 D CB 0.945 41.644 40.800 -0.169 0.000 1.198 382 D HN 0.754 nan 8.370 nan 0.000 0.446 383 T N 0.214 114.756 114.554 -0.020 0.000 2.889 383 T HA 0.279 4.629 4.350 0.000 0.000 0.315 383 T C -0.394 174.527 174.700 0.369 0.000 1.291 383 T CA -0.574 61.658 62.100 0.220 0.000 1.028 383 T CB 0.779 69.782 68.868 0.224 0.000 1.235 383 T HN 0.353 nan 8.240 nan 0.000 0.491 384 H N 1.754 121.056 119.070 0.386 0.000 2.586 384 H HA 0.296 4.852 4.556 0.000 0.000 0.273 384 H C 1.339 176.781 175.328 0.190 0.000 0.997 384 H CA -0.060 56.166 56.048 0.298 0.000 1.177 384 H CB 0.244 30.072 29.762 0.109 0.000 1.471 384 H HN 0.587 nan 8.280 nan 0.000 0.538 385 W N 2.006 123.303 121.300 -0.005 0.000 2.342 385 W HA -0.223 4.437 4.660 0.000 0.000 0.297 385 W C 1.488 177.972 176.519 -0.059 0.000 1.213 385 W CA 1.663 58.953 57.345 -0.092 0.000 1.251 385 W CB -0.020 29.464 29.460 0.041 0.000 1.136 385 W HN 0.353 nan 8.180 nan 0.000 0.526 386 I N -2.042 118.374 120.570 -0.256 0.000 2.399 386 I HA -0.264 3.906 4.170 0.000 0.000 0.254 386 I C 1.768 177.812 176.117 -0.122 0.000 1.146 386 I CA 1.748 62.745 61.300 -0.506 0.000 1.412 386 I CB -1.298 36.197 38.000 -0.841 0.000 1.076 386 I HN -0.071 nan 8.210 nan 0.000 0.432 387 W N 0.810 122.117 121.300 0.013 0.000 2.658 387 W HA 0.042 4.702 4.660 0.000 0.000 0.263 387 W C 2.265 178.694 176.519 -0.149 0.000 1.274 387 W CA 0.152 57.480 57.345 -0.028 0.000 1.343 387 W CB -0.083 29.299 29.460 -0.129 0.000 1.106 387 W HN 0.156 nan 8.180 nan 0.000 0.615 388 Q N -0.452 119.271 119.800 -0.128 0.000 2.316 388 Q HA 0.060 4.400 4.340 0.000 0.000 0.235 388 Q C 0.880 176.533 176.000 -0.579 0.000 0.863 388 Q CA 0.220 55.873 55.803 -0.250 0.000 0.939 388 Q CB 0.103 28.729 28.738 -0.187 0.000 1.108 388 Q HN -0.026 nan 8.270 nan 0.000 0.522 389 E N 0.178 119.791 120.200 -0.978 0.000 2.418 389 E HA 0.122 4.472 4.350 0.000 0.000 0.261 389 E C 0.333 176.800 176.600 -0.220 0.000 1.070 389 E CA 0.893 56.724 56.400 -0.949 0.000 0.931 389 E CB 0.516 29.699 29.700 -0.862 0.000 0.954 389 E HN 0.278 nan 8.360 nan 0.000 0.439 390 A N 2.895 125.691 122.820 -0.041 0.000 3.396 390 A HA -0.297 4.023 4.320 0.000 0.000 0.267 390 A C 1.309 178.939 177.584 0.077 0.000 1.139 390 A CA 2.188 54.266 52.037 0.069 0.000 1.115 390 A CB -1.587 17.463 19.000 0.083 0.000 1.133 390 A HN 0.738 nan 8.150 nan 0.000 0.920 391 Q N -1.355 118.480 119.800 0.057 0.000 2.631 391 Q HA 0.135 4.475 4.340 0.000 0.000 0.220 391 Q C 0.035 176.133 176.000 0.164 0.000 0.819 391 Q CA 0.163 56.026 55.803 0.100 0.000 0.914 391 Q CB 0.434 29.228 28.738 0.093 0.000 1.248 391 Q HN 0.631 nan 8.270 nan 0.000 0.629 392 E N 1.397 121.715 120.200 0.195 0.000 2.283 392 E HA 0.352 4.702 4.350 0.000 0.000 0.271 392 E C -0.755 176.143 176.600 0.496 0.000 1.031 392 E CA -0.196 56.432 56.400 0.380 0.000 0.868 392 E CB 1.700 31.671 29.700 0.453 0.000 1.094 392 E HN 0.224 nan 8.360 nan 0.000 0.401 393 R N 2.408 123.213 120.500 0.509 0.000 3.119 393 R HA 0.127 4.467 4.340 0.000 0.000 0.294 393 R C -0.472 176.013 176.300 0.307 0.000 1.267 393 R CA -0.064 56.301 56.100 0.442 0.000 1.078 393 R CB -0.174 30.322 30.300 0.326 0.000 1.320 393 R HN 0.501 nan 8.270 nan 0.000 0.380 394 L N 1.809 123.198 121.223 0.277 0.000 2.554 394 L HA 0.182 4.522 4.340 0.000 0.000 0.225 394 L C 0.935 177.858 176.870 0.089 0.000 1.104 394 L CA 0.453 55.360 54.840 0.111 0.000 0.866 394 L CB 0.571 42.622 42.059 -0.014 0.000 1.047 394 L HN 0.636 nan 8.230 nan 0.000 0.468 395 T N -4.250 110.378 114.554 0.124 0.000 2.949 395 T HA 0.340 4.690 4.350 0.000 0.000 0.287 395 T C 0.965 175.726 174.700 0.100 0.000 1.034 395 T CA -0.768 61.386 62.100 0.090 0.000 1.018 395 T CB 1.886 70.800 68.868 0.078 0.000 1.135 395 T HN -0.046 nan 8.240 nan 0.000 0.532 396 R N -0.169 120.378 120.500 0.078 0.000 2.153 396 R HA 0.147 4.487 4.340 0.000 0.000 0.218 396 R C 0.659 177.012 176.300 0.089 0.000 1.072 396 R CA 0.882 57.028 56.100 0.077 0.000 0.990 396 R CB 0.097 30.432 30.300 0.057 0.000 0.889 396 R HN 0.761 nan 8.270 nan 0.000 0.452 397 E N 0.699 120.954 120.200 0.091 0.000 2.908 397 E HA 0.219 4.569 4.350 0.000 0.000 0.291 397 E C -2.610 174.055 176.600 0.108 0.000 1.154 397 E CA -1.943 54.516 56.400 0.098 0.000 0.784 397 E CB 1.046 30.792 29.700 0.077 0.000 1.500 397 E HN -0.118 nan 8.360 nan 0.000 0.382 398 P HA -0.053 nan 4.420 nan 0.000 0.265 398 P C -0.527 176.845 177.300 0.120 0.000 1.187 398 P CA -0.321 62.865 63.100 0.143 0.000 0.766 398 P CB 0.388 32.254 31.700 0.277 0.000 0.820 399 L N 3.676 124.937 121.223 0.063 0.000 2.506 399 L HA 0.028 4.368 4.340 0.000 0.000 0.281 399 L C 1.218 178.159 176.870 0.118 0.000 1.228 399 L CA 1.033 55.911 54.840 0.063 0.000 0.850 399 L CB -0.395 41.678 42.059 0.023 0.000 1.110 399 L HN 0.349 nan 8.230 nan 0.000 0.496 400 R N 3.519 124.095 120.500 0.127 0.000 2.589 400 R HA 0.556 4.896 4.340 0.000 0.000 0.293 400 R C -0.777 175.608 176.300 0.142 0.000 0.963 400 R CA -0.858 55.350 56.100 0.180 0.000 0.905 400 R CB 1.418 31.808 30.300 0.149 0.000 1.144 400 R HN 0.467 nan 8.270 nan 0.000 0.459 401 I N 3.485 124.164 120.570 0.182 0.000 2.322 401 I HA 0.088 4.258 4.170 0.000 0.000 0.292 401 I C -0.047 176.084 176.117 0.023 0.000 1.060 401 I CA 0.229 61.572 61.300 0.071 0.000 1.309 401 I CB 0.601 38.596 38.000 -0.009 0.000 1.415 401 I HN 0.370 nan 8.210 nan 0.000 0.492 402 Q N 4.263 124.054 119.800 -0.015 0.000 2.323 402 Q HA 0.427 4.767 4.340 0.000 0.000 0.271 402 Q C 0.631 176.594 176.000 -0.062 0.000 1.048 402 Q CA -0.672 55.103 55.803 -0.047 0.000 0.792 402 Q CB 2.242 30.970 28.738 -0.016 0.000 1.280 402 Q HN 0.895 nan 8.270 nan 0.000 0.441 403 G N 1.233 109.970 108.800 -0.105 0.000 2.203 403 G HA2 -0.273 3.687 3.960 0.000 0.000 0.263 403 G HA3 -0.273 3.687 3.960 0.000 0.000 0.263 403 G C 0.773 175.663 174.900 -0.016 0.000 1.012 403 G CA 0.690 45.745 45.100 -0.075 0.000 0.749 403 G HN 1.467 nan 8.290 nan 0.000 0.512 404 G N -1.760 106.926 108.800 -0.190 0.000 2.148 404 G HA2 -0.279 3.681 3.960 0.000 0.000 0.254 404 G HA3 -0.279 3.681 3.960 0.000 0.000 0.254 404 G C 0.109 174.970 174.900 -0.065 0.000 0.981 404 G CA 1.001 45.956 45.100 -0.242 0.000 0.670 404 G HN 1.319 nan 8.290 nan 0.000 0.528 405 H N -1.445 117.559 119.070 -0.111 0.000 2.747 405 H HA 0.554 5.110 4.556 0.000 0.000 0.371 405 H C -0.784 174.524 175.328 -0.033 0.000 1.161 405 H CA -0.767 55.252 56.048 -0.048 0.000 1.167 405 H CB 2.564 32.302 29.762 -0.039 0.000 1.732 405 H HN 0.066 nan 8.280 nan 0.000 0.544 406 V N 1.854 121.820 119.914 0.087 0.000 2.398 406 V HA 0.333 4.453 4.120 0.000 0.000 0.286 406 V C 0.285 176.411 176.094 0.053 0.000 1.026 406 V CA -0.712 61.626 62.300 0.062 0.000 0.868 406 V CB 1.164 33.014 31.823 0.044 0.000 0.982 406 V HN 0.861 nan 8.190 nan 0.000 0.443 407 A N 4.877 127.719 122.820 0.037 0.000 2.388 407 A HA 0.583 4.903 4.320 0.000 0.000 0.257 407 A C -0.026 177.540 177.584 -0.029 0.000 1.095 407 A CA -0.291 51.752 52.037 0.011 0.000 0.791 407 A CB 0.502 19.506 19.000 0.008 0.000 1.029 407 A HN 0.703 nan 8.150 nan 0.000 0.489 408 V N 4.867 124.744 119.914 -0.062 0.000 2.479 408 V HA 0.136 4.256 4.120 0.000 0.000 0.281 408 V C -1.744 174.311 176.094 -0.064 0.000 1.031 408 V CA -0.739 61.480 62.300 -0.136 0.000 1.038 408 V CB 0.272 31.998 31.823 -0.162 0.000 0.981 408 V HN 0.814 nan 8.190 nan 0.000 0.478 409 P HA 0.120 nan 4.420 nan 0.000 0.269 409 P C 0.734 178.057 177.300 0.038 0.000 1.217 409 P CA -0.156 62.960 63.100 0.026 0.000 0.783 409 P CB 0.759 32.505 31.700 0.076 0.000 0.898 410 E N 0.569 120.790 120.200 0.035 0.000 2.251 410 E HA 0.009 4.359 4.350 0.000 0.000 0.194 410 E C 0.102 176.725 176.600 0.038 0.000 0.964 410 E CA 0.261 56.680 56.400 0.031 0.000 0.868 410 E CB 0.127 29.838 29.700 0.019 0.000 0.828 410 E HN 0.428 nan 8.360 nan 0.000 0.481 411 R N 2.463 122.988 120.500 0.042 0.000 2.538 411 R HA 0.068 4.408 4.340 0.000 0.000 0.282 411 R C -2.291 174.037 176.300 0.047 0.000 1.009 411 R CA -1.152 54.972 56.100 0.039 0.000 1.063 411 R CB -0.474 29.849 30.300 0.039 0.000 0.945 411 R HN -0.045 nan 8.270 nan 0.000 0.414 412 P HA -0.069 nan 4.420 nan 0.000 0.271 412 P C 0.715 178.019 177.300 0.007 0.000 1.233 412 P CA 0.688 63.800 63.100 0.022 0.000 0.795 412 P CB 0.462 32.168 31.700 0.011 0.000 0.936 413 G N -0.397 108.387 108.800 -0.026 0.000 2.547 413 G HA2 -0.308 3.652 3.960 0.000 0.000 0.271 413 G HA3 -0.308 3.652 3.960 0.000 0.000 0.271 413 G C 0.769 175.544 174.900 -0.208 0.000 1.209 413 G CA 0.190 45.236 45.100 -0.090 0.000 0.959 413 G HN 0.500 nan 8.290 nan 0.000 0.563 414 L N 2.150 123.248 121.223 -0.208 0.000 2.465 414 L HA 0.290 4.630 4.340 0.000 0.000 0.224 414 L C 2.376 179.281 176.870 0.059 0.000 1.145 414 L CA 1.140 55.831 54.840 -0.248 0.000 0.834 414 L CB -0.663 41.315 42.059 -0.135 0.000 0.944 414 L HN 2.067 nan 8.230 nan 0.000 0.451 415 G N 1.551 110.381 108.800 0.050 0.000 2.221 415 G HA2 -0.287 3.673 3.960 0.000 0.000 0.265 415 G HA3 -0.287 3.673 3.960 0.000 0.000 0.265 415 G C 0.148 175.091 174.900 0.072 0.000 1.041 415 G CA 0.720 45.873 45.100 0.089 0.000 0.807 415 G HN 0.512 nan 8.290 nan 0.000 0.502 416 I N -4.626 115.971 120.570 0.045 0.000 3.170 416 I HA 0.956 5.126 4.170 0.000 0.000 0.312 416 I C -0.427 175.708 176.117 0.029 0.000 1.085 416 I CA -1.554 59.771 61.300 0.041 0.000 0.999 416 I CB 2.400 40.421 38.000 0.036 0.000 1.233 416 I HN -0.000 nan 8.210 nan 0.000 0.467 417 E N 2.141 122.360 120.200 0.032 0.000 2.283 417 E HA 0.366 4.716 4.350 0.000 0.000 0.258 417 E C -1.455 175.160 176.600 0.026 0.000 0.893 417 E CA -0.853 55.563 56.400 0.026 0.000 0.798 417 E CB 2.252 31.970 29.700 0.030 0.000 1.242 417 E HN 0.591 nan 8.360 nan 0.000 0.414 418 I N 3.083 123.661 120.570 0.013 0.000 2.813 418 I HA -0.032 4.138 4.170 0.000 0.000 0.287 418 I C -0.126 175.999 176.117 0.014 0.000 1.196 418 I CA 0.628 61.933 61.300 0.008 0.000 1.421 418 I CB 0.649 38.641 38.000 -0.012 0.000 1.365 418 I HN 0.421 nan 8.210 nan 0.000 0.591 419 D N 7.298 127.710 120.400 0.019 0.000 2.464 419 D HA 0.130 4.770 4.640 0.000 0.000 0.243 419 D C 0.722 177.029 176.300 0.012 0.000 1.104 419 D CA -0.394 53.621 54.000 0.026 0.000 0.883 419 D CB 0.865 41.694 40.800 0.049 0.000 1.050 419 D HN 0.362 nan 8.370 nan 0.000 0.524 420 M N 1.665 121.267 119.600 0.002 0.000 2.213 420 M HA -0.112 4.368 4.480 0.000 0.000 0.263 420 M C 1.063 177.363 176.300 0.000 0.000 1.062 420 M CA 1.040 56.334 55.300 -0.010 0.000 1.105 420 M CB -0.428 32.163 32.600 -0.014 0.000 1.385 420 M HN 0.371 nan 8.290 nan 0.000 0.417 421 D N -0.176 120.233 120.400 0.015 0.000 2.117 421 D HA -0.128 4.512 4.640 0.000 0.000 0.197 421 D C 2.171 178.490 176.300 0.033 0.000 0.987 421 D CA 0.940 54.955 54.000 0.025 0.000 0.829 421 D CB -0.099 40.719 40.800 0.031 0.000 0.961 421 D HN 0.252 nan 8.370 nan 0.000 0.460 422 R N 0.609 121.132 120.500 0.038 0.000 2.092 422 R HA -0.032 4.308 4.340 0.000 0.000 0.231 422 R C 2.477 178.788 176.300 0.018 0.000 1.119 422 R CA 0.343 56.473 56.100 0.050 0.000 0.970 422 R CB -0.987 29.358 30.300 0.075 0.000 0.864 422 R HN 0.175 nan 8.270 nan 0.000 0.440 423 V N 1.462 121.368 119.914 -0.013 0.000 2.295 423 V HA -0.253 3.867 4.120 0.000 0.000 0.246 423 V C 2.505 178.592 176.094 -0.011 0.000 1.049 423 V CA 1.614 63.880 62.300 -0.056 0.000 1.024 423 V CB -0.443 31.334 31.823 -0.076 0.000 0.648 423 V HN 0.161 nan 8.190 nan 0.000 0.447 424 M N -0.109 119.498 119.600 0.013 0.000 2.213 424 M HA -0.071 4.410 4.480 0.000 0.000 0.263 424 M C 2.347 178.699 176.300 0.087 0.000 1.062 424 M CA 1.959 57.298 55.300 0.065 0.000 1.105 424 M CB -1.593 31.032 32.600 0.042 0.000 1.385 424 M HN 0.421 nan 8.290 nan 0.000 0.417 425 A N 0.285 123.139 122.820 0.057 0.000 1.855 425 A HA 0.013 4.333 4.320 0.000 0.000 0.215 425 A C 2.446 180.066 177.584 0.059 0.000 1.191 425 A CA 2.132 54.203 52.037 0.056 0.000 0.613 425 A CB -1.011 18.025 19.000 0.060 0.000 0.829 425 A HN 0.453 nan 8.150 nan 0.000 0.442 426 A N -1.055 121.797 122.820 0.055 0.000 1.940 426 A HA -0.207 4.114 4.320 0.000 0.000 0.219 426 A C 2.034 179.656 177.584 0.063 0.000 1.176 426 A CA 2.276 54.340 52.037 0.045 0.000 0.631 426 A CB -0.854 18.109 19.000 -0.063 0.000 0.814 426 A HN 0.768 nan 8.150 nan 0.000 0.446 427 H N 0.034 119.083 119.070 -0.035 0.000 2.326 427 H HA 0.069 4.625 4.556 0.000 0.000 0.301 427 H C 2.217 177.571 175.328 0.044 0.000 1.081 427 H CA 1.870 57.909 56.048 -0.015 0.000 1.334 427 H CB -0.423 29.312 29.762 -0.046 0.000 1.385 427 H HN 0.365 nan 8.280 nan 0.000 0.504 428 A N 0.567 123.362 122.820 -0.043 0.000 1.948 428 A HA -0.162 4.158 4.320 0.000 0.000 0.220 428 A C 2.428 179.949 177.584 -0.105 0.000 1.177 428 A CA 1.771 53.749 52.037 -0.098 0.000 0.636 428 A CB -0.992 17.996 19.000 -0.021 0.000 0.815 428 A HN 0.497 nan 8.150 nan 0.000 0.449 429 L N -1.746 119.445 121.223 -0.053 0.000 2.056 429 L HA -0.120 4.220 4.340 0.000 0.000 0.207 429 L C 2.289 179.079 176.870 -0.133 0.000 1.078 429 L CA 2.383 57.174 54.840 -0.081 0.000 0.749 429 L CB -0.914 41.139 42.059 -0.010 0.000 0.901 429 L HN 0.511 nan 8.230 nan 0.000 0.433 430 Y N 0.467 120.651 120.300 -0.195 0.000 2.207 430 Y HA -0.276 4.274 4.550 0.000 0.000 0.287 430 Y C 2.260 178.024 175.900 -0.226 0.000 1.156 430 Y CA 1.930 59.913 58.100 -0.195 0.000 1.182 430 Y CB -0.102 38.275 38.460 -0.139 0.000 0.979 430 Y HN 0.158 nan 8.280 nan 0.000 0.521 431 K N -0.296 119.987 120.400 -0.194 0.000 1.991 431 K HA -0.184 4.136 4.320 0.000 0.000 0.212 431 K C 2.205 178.649 176.600 -0.260 0.000 1.049 431 K CA 2.198 58.344 56.287 -0.234 0.000 0.932 431 K CB -1.565 30.813 32.500 -0.203 0.000 0.717 431 K HN 0.557 nan 8.250 nan 0.000 0.441 432 T N 0.444 114.859 114.554 -0.233 0.000 2.881 432 T HA -0.083 4.267 4.350 0.000 0.000 0.270 432 T C 2.104 176.625 174.700 -0.298 0.000 1.068 432 T CA 0.785 62.750 62.100 -0.226 0.000 1.131 432 T CB -0.336 68.415 68.868 -0.196 0.000 0.871 432 T HN 0.065 nan 8.240 nan 0.000 0.479 433 L N 0.962 121.945 121.223 -0.401 0.000 2.093 433 L HA 0.178 4.518 4.340 0.000 0.000 0.208 433 L C 1.508 178.158 176.870 -0.367 0.000 1.085 433 L CA 1.070 55.637 54.840 -0.455 0.000 0.755 433 L CB -1.250 40.498 42.059 -0.519 0.000 0.904 433 L HN 0.772 nan 8.230 nan 0.000 0.435 434 G N 0.542 109.093 108.800 -0.416 0.000 2.977 434 G HA2 -0.162 3.798 3.960 0.000 0.000 0.686 434 G HA3 -0.162 3.798 3.960 0.000 0.000 0.686 434 G C -2.476 172.144 174.900 -0.468 0.000 1.088 434 G CA -0.852 44.028 45.100 -0.366 0.000 0.845 434 G HN 0.122 nan 8.290 nan 0.000 0.565 435 P HA 0.452 nan 4.420 nan 0.000 0.264 435 P C 0.680 177.894 177.300 -0.144 0.000 1.193 435 P CA 1.117 64.031 63.100 -0.310 0.000 0.763 435 P CB 1.140 32.803 31.700 -0.062 0.000 0.810 436 G N 0.845 109.598 108.800 -0.078 0.000 2.684 436 G HA2 0.625 4.585 3.960 0.000 0.000 0.290 436 G HA3 0.625 4.585 3.960 0.000 0.000 0.290 436 G C -1.771 173.139 174.900 0.017 0.000 1.425 436 G CA -0.545 44.538 45.100 -0.029 0.000 0.822 436 G HN 0.560 nan 8.290 nan 0.000 0.482 437 A N 0.086 122.921 122.820 0.025 0.000 2.306 437 A HA 0.795 5.115 4.320 0.000 0.000 0.330 437 A C 0.637 178.244 177.584 0.038 0.000 1.146 437 A CA -0.604 51.457 52.037 0.040 0.000 0.827 437 A CB 0.824 19.845 19.000 0.035 0.000 1.178 437 A HN 1.055 nan 8.150 nan 0.000 0.490 438 R N 0.656 121.182 120.500 0.043 0.000 2.638 438 R HA 0.154 4.494 4.340 0.000 0.000 0.268 438 R C -1.295 175.016 176.300 0.019 0.000 1.006 438 R CA 0.813 56.929 56.100 0.027 0.000 1.088 438 R CB 0.251 30.557 30.300 0.010 0.000 0.950 438 R HN 0.641 nan 8.270 nan 0.000 0.419 439 D N 2.606 123.019 120.400 0.022 0.000 2.337 439 D HA 0.141 4.781 4.640 0.000 0.000 0.238 439 D C -0.872 175.460 176.300 0.053 0.000 1.331 439 D CA -0.553 53.471 54.000 0.040 0.000 0.967 439 D CB 0.999 41.830 40.800 0.051 0.000 1.382 439 D HN 0.554 nan 8.370 nan 0.000 0.549 440 D N 1.714 122.142 120.400 0.047 0.000 2.347 440 D HA 0.060 4.700 4.640 0.000 0.000 0.215 440 D C 1.959 178.301 176.300 0.070 0.000 0.976 440 D CA 0.748 54.775 54.000 0.045 0.000 0.884 440 D CB 0.239 41.058 40.800 0.032 0.000 0.915 440 D HN 0.497 nan 8.370 nan 0.000 0.526 441 A N 0.683 123.609 122.820 0.177 0.000 2.015 441 A HA -0.135 4.185 4.320 0.000 0.000 0.219 441 A C 2.021 179.720 177.584 0.190 0.000 1.163 441 A CA 0.797 53.017 52.037 0.305 0.000 0.646 441 A CB -0.411 18.823 19.000 0.390 0.000 0.806 441 A HN 0.148 nan 8.150 nan 0.000 0.448 442 M N 0.173 119.856 119.600 0.139 0.000 2.066 442 M HA -0.141 4.339 4.480 0.000 0.000 0.259 442 M C 2.215 178.628 176.300 0.188 0.000 1.074 442 M CA 2.189 57.570 55.300 0.135 0.000 1.114 442 M CB -0.829 31.845 32.600 0.124 0.000 1.306 442 M HN 0.402 nan 8.290 nan 0.000 0.411 443 A N -0.380 122.562 122.820 0.204 0.000 2.172 443 A HA -0.145 4.175 4.320 0.000 0.000 0.216 443 A C 1.868 179.586 177.584 0.224 0.000 1.154 443 A CA 1.243 53.462 52.037 0.303 0.000 0.701 443 A CB -0.643 18.505 19.000 0.246 0.000 0.789 443 A HN 0.622 nan 8.150 nan 0.000 0.465 444 M N -0.879 118.750 119.600 0.048 0.000 2.447 444 M HA 0.031 4.511 4.480 0.000 0.000 0.264 444 M C 1.697 177.989 176.300 -0.012 0.000 1.095 444 M CA 0.978 56.195 55.300 -0.139 0.000 1.125 444 M CB -0.252 32.009 32.600 -0.565 0.000 1.389 444 M HN 0.318 nan 8.290 nan 0.000 0.459 445 Q N -0.910 118.927 119.800 0.061 0.000 2.226 445 Q HA -0.151 4.189 4.340 0.000 0.000 0.204 445 Q C 1.765 177.725 176.000 -0.066 0.000 0.975 445 Q CA 1.645 57.451 55.803 0.004 0.000 0.866 445 Q CB -0.718 27.965 28.738 -0.091 0.000 0.915 445 Q HN 0.609 nan 8.270 nan 0.000 0.440 446 Y N -0.328 119.989 120.300 0.029 0.000 2.352 446 Y HA -0.157 4.393 4.550 0.000 0.000 0.292 446 Y C 1.865 177.767 175.900 0.002 0.000 1.136 446 Y CA 0.631 58.743 58.100 0.021 0.000 1.227 446 Y CB 0.125 38.602 38.460 0.028 0.000 0.991 446 Y HN 0.053 nan 8.280 nan 0.000 0.545 447 L N -1.996 119.296 121.223 0.115 0.000 2.357 447 L HA 0.143 4.483 4.340 0.000 0.000 0.211 447 L C 0.145 177.037 176.870 0.036 0.000 1.075 447 L CA 0.375 55.241 54.840 0.043 0.000 0.830 447 L CB 0.016 42.060 42.059 -0.025 0.000 0.996 447 L HN -0.222 nan 8.230 nan 0.000 0.467 448 V N 0.995 120.940 119.914 0.051 0.000 2.439 448 V HA 0.337 4.457 4.120 0.000 0.000 0.277 448 V C -2.428 173.750 176.094 0.139 0.000 1.008 448 V CA -1.540 60.827 62.300 0.113 0.000 0.846 448 V CB 1.378 33.322 31.823 0.202 0.000 1.031 448 V HN -0.022 nan 8.190 nan 0.000 0.441 449 P HA 0.211 nan 4.420 nan 0.000 0.264 449 P C 1.078 178.429 177.300 0.086 0.000 1.193 449 P CA 1.327 64.459 63.100 0.054 0.000 0.763 449 P CB 0.709 32.422 31.700 0.023 0.000 0.810 450 G N 1.608 110.459 108.800 0.085 0.000 2.153 450 G HA2 -0.260 3.700 3.960 0.000 0.000 0.252 450 G HA3 -0.260 3.700 3.960 0.000 0.000 0.252 450 G C -0.050 174.922 174.900 0.120 0.000 0.994 450 G CA -0.374 44.773 45.100 0.078 0.000 0.698 450 G HN 0.551 nan 8.290 nan 0.000 0.521 451 W N 0.912 122.219 121.300 0.011 0.000 2.231 451 W HA 0.500 5.160 4.660 0.000 0.000 0.341 451 W C 0.440 176.985 176.519 0.043 0.000 1.298 451 W CA 1.291 58.653 57.345 0.029 0.000 1.266 451 W CB 0.692 30.177 29.460 0.041 0.000 1.172 451 W HN 0.146 nan 8.180 nan 0.000 0.568 452 T N 5.892 119.919 114.554 -0.879 0.000 2.909 452 T HA 0.184 4.534 4.350 0.000 0.000 0.299 452 T C -1.396 172.466 174.700 -1.397 0.000 1.073 452 T CA -0.564 61.056 62.100 -0.801 0.000 0.999 452 T CB 0.432 69.079 68.868 -0.368 0.000 1.098 452 T HN 0.227 nan 8.240 nan 0.000 0.477 453 Y N 2.974 122.686 120.300 -0.980 0.000 2.511 453 Y HA 0.421 4.971 4.550 0.000 0.000 0.332 453 Y C -0.035 175.651 175.900 -0.358 0.000 1.177 453 Y CA -0.150 57.567 58.100 -0.639 0.000 1.422 453 Y CB 0.562 38.926 38.460 -0.159 0.000 1.271 453 Y HN 0.459 nan 8.280 nan 0.000 0.550 454 D N 8.299 128.136 120.400 -0.938 0.000 2.479 454 D HA 0.250 4.890 4.640 0.000 0.000 0.246 454 D C -2.145 173.684 176.300 -0.784 0.000 1.336 454 D CA -2.152 51.415 54.000 -0.722 0.000 0.967 454 D CB 1.893 42.471 40.800 -0.370 0.000 1.275 454 D HN 0.340 nan 8.370 nan 0.000 0.577 455 P HA -0.125 nan 4.420 nan 0.000 0.219 455 P C 0.568 177.774 177.300 -0.156 0.000 1.146 455 P CA 0.823 63.691 63.100 -0.386 0.000 0.808 455 P CB 0.489 32.112 31.700 -0.128 0.000 0.779 456 K N -0.683 119.635 120.400 -0.137 0.000 2.399 456 K HA 0.205 4.525 4.320 0.000 0.000 0.204 456 K C 0.649 177.248 176.600 -0.002 0.000 1.023 456 K CA -0.155 56.110 56.287 -0.036 0.000 1.127 456 K CB 0.882 33.370 32.500 -0.019 0.000 0.856 456 K HN 0.147 nan 8.250 nan 0.000 0.514 457 R N 1.488 121.969 120.500 -0.032 0.000 2.483 457 R HA 0.269 4.609 4.340 0.000 0.000 0.303 457 R C -2.769 173.579 176.300 0.080 0.000 0.987 457 R CA -1.858 54.255 56.100 0.021 0.000 0.881 457 R CB 1.745 32.030 30.300 -0.026 0.000 1.177 457 R HN -0.159 nan 8.270 nan 0.000 0.451 458 P HA -0.086 nan 4.420 nan 0.000 0.264 458 P C 0.352 177.772 177.300 0.201 0.000 1.179 458 P CA 0.366 63.570 63.100 0.173 0.000 0.763 458 P CB 0.748 32.558 31.700 0.184 0.000 0.806 459 S N 1.989 117.837 115.700 0.247 0.000 2.584 459 S HA -0.033 4.437 4.470 0.000 0.000 0.240 459 S C 0.618 175.395 174.600 0.296 0.000 0.975 459 S CA 0.768 59.200 58.200 0.387 0.000 0.949 459 S CB -0.725 62.612 63.200 0.228 0.000 0.761 459 S HN 0.290 nan 8.310 nan 0.000 0.536 460 L N 0.000 121.321 121.223 0.163 0.000 2.949 460 L HA 0.000 4.340 4.340 0.000 0.000 0.249 460 L CA 0.000 54.899 54.840 0.098 0.000 0.813 460 L CB 0.000 42.057 42.059 -0.003 0.000 0.961 460 L HN 0.000 nan 8.230 nan 0.000 0.502