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 1gc4_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRGLSRRVQA MKPDAVVAVN AKALELRRQG VDLVALTAGE PDFDTPEHVK DATA SEQUENCE EAARRALAQG KTKYAPPAGI PELREALAEK FRRENGLSVT PEETIVTVGG DATA SEQUENCE SQALFNLFQA ILDPGDEVIV LSPYWVSYPE MVRFAGGVVV EVETLPEEGF DATA SEQUENCE VPDPERVRRA ITPRTKALVV NSPNNPTGAV YPKEVLEALA RLAVEHDFYL DATA SEQUENCE VSDEIYEHLL YEGEHFSPGR VAPEHTLTVN GAAKAFAMTG WRIGYACGPK DATA SEQUENCE EVIKAMASVS RQSTTSPDTI AQWATLEALT NQEASRAFVE MAREAYRRRR DATA SEQUENCE DLLLEGLTAL GLKAVRPSGA FYVLMDTSPI APDEVRAAER LLEAGVAVVP DATA SEQUENCE GTDFAAFGHV RLSYATSEEN LRKALERFAR VL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.301 176.300 0.001 0.000 1.140 1 M CA 0.000 55.300 55.300 0.001 0.000 0.988 1 M CB 0.000 32.600 32.600 0.000 0.000 1.302 2 R N 0.148 120.649 120.500 0.002 0.000 2.747 2 R HA 0.775 5.115 4.340 -0.000 0.000 0.278 2 R C 0.043 176.345 176.300 0.004 0.000 1.153 2 R CA 0.564 56.667 56.100 0.004 0.000 1.206 2 R CB 0.247 30.550 30.300 0.004 0.000 1.161 2 R HN 1.031 nan 8.270 nan 0.000 0.589 3 G N -0.173 108.630 108.800 0.005 0.000 2.465 3 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.681 3 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.681 3 G C -1.400 173.505 174.900 0.008 0.000 1.340 3 G CA -1.134 43.970 45.100 0.006 0.000 0.884 3 G HN 0.287 nan 8.290 nan 0.000 0.650 4 L N 1.295 122.525 121.223 0.011 0.000 2.453 4 L HA 0.598 4.938 4.340 -0.000 0.000 0.261 4 L C 1.742 178.618 176.870 0.010 0.000 1.179 4 L CA 0.318 55.168 54.840 0.016 0.000 0.813 4 L CB 0.975 43.048 42.059 0.023 0.000 1.110 4 L HN 1.057 nan 8.230 nan 0.000 0.466 5 S N 1.346 117.052 115.700 0.010 0.000 2.634 5 S HA 0.215 4.685 4.470 -0.000 0.000 0.254 5 S C 0.706 175.298 174.600 -0.013 0.000 1.299 5 S CA -0.270 57.925 58.200 -0.009 0.000 0.974 5 S CB 0.315 63.502 63.200 -0.022 0.000 1.001 5 S HN 0.645 nan 8.310 nan 0.000 0.584 6 R N -0.396 120.082 120.500 -0.037 0.000 2.472 6 R HA 0.321 4.660 4.340 -0.000 0.000 0.279 6 R C 1.651 177.918 176.300 -0.055 0.000 0.953 6 R CA -0.116 55.963 56.100 -0.034 0.000 1.088 6 R CB -0.300 29.979 30.300 -0.034 0.000 1.197 6 R HN 0.780 nan 8.270 nan 0.000 0.536 7 R N -0.612 119.826 120.500 -0.103 0.000 2.254 7 R HA 0.204 4.543 4.340 -0.000 0.000 0.193 7 R C 1.275 177.576 176.300 0.002 0.000 0.929 7 R CA 0.265 56.250 56.100 -0.193 0.000 1.038 7 R CB 0.030 30.017 30.300 -0.521 0.000 1.009 7 R HN 0.093 nan 8.270 nan 0.000 0.512 8 V N 0.568 120.547 119.914 0.109 0.000 3.650 8 V HA 0.076 4.196 4.120 -0.000 0.000 0.271 8 V C 1.547 177.724 176.094 0.139 0.000 1.281 8 V CA 0.847 63.319 62.300 0.287 0.000 1.120 8 V CB 0.421 32.397 31.823 0.255 0.000 0.856 8 V HN 0.396 nan 8.190 nan 0.000 0.443 9 Q N -0.580 119.265 119.800 0.075 0.000 2.302 9 Q HA 0.171 4.511 4.340 -0.000 0.000 0.202 9 Q C 1.945 177.969 176.000 0.040 0.000 0.936 9 Q CA 0.999 56.829 55.803 0.045 0.000 0.886 9 Q CB 0.202 28.954 28.738 0.022 0.000 0.986 9 Q HN 0.678 nan 8.270 nan 0.000 0.487 10 A N 0.545 123.392 122.820 0.044 0.000 2.238 10 A HA 0.147 4.467 4.320 -0.000 0.000 0.210 10 A C 0.991 178.603 177.584 0.047 0.000 1.179 10 A CA -0.289 51.768 52.037 0.033 0.000 0.827 10 A CB -0.215 18.793 19.000 0.014 0.000 0.856 10 A HN 0.406 nan 8.150 nan 0.000 0.488 11 M N -0.378 119.270 119.600 0.081 0.000 2.238 11 M HA 0.352 4.831 4.480 -0.000 0.000 0.347 11 M C -0.291 176.021 176.300 0.021 0.000 1.173 11 M CA 0.089 55.429 55.300 0.066 0.000 1.147 11 M CB 0.449 33.111 32.600 0.103 0.000 1.547 11 M HN -0.176 nan 8.290 nan 0.000 0.455 12 K N 3.126 123.523 120.400 -0.005 0.000 2.174 12 K HA 0.485 4.805 4.320 -0.000 0.000 0.275 12 K C -2.363 174.213 176.600 -0.039 0.000 1.015 12 K CA -1.345 54.930 56.287 -0.019 0.000 0.933 12 K CB 0.870 33.353 32.500 -0.029 0.000 1.025 12 K HN 0.513 nan 8.250 nan 0.000 0.463 13 P HA 0.045 nan 4.420 nan 0.000 0.270 13 P C -0.896 176.370 177.300 -0.056 0.000 1.223 13 P CA -0.181 62.898 63.100 -0.035 0.000 0.785 13 P CB 0.464 32.155 31.700 -0.015 0.000 0.923 14 D N -0.245 120.121 120.400 -0.056 0.000 2.351 14 D HA 0.299 4.939 4.640 -0.000 0.000 0.251 14 D C 1.003 177.284 176.300 -0.032 0.000 1.137 14 D CA 0.069 54.028 54.000 -0.068 0.000 0.879 14 D CB 0.910 41.681 40.800 -0.048 0.000 1.181 14 D HN 0.267 nan 8.370 nan 0.000 0.448 15 A N 2.822 125.616 122.820 -0.043 0.000 1.929 15 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 15 A C 2.076 179.700 177.584 0.065 0.000 1.176 15 A CA 1.258 53.306 52.037 0.018 0.000 0.628 15 A CB -0.655 18.366 19.000 0.034 0.000 0.816 15 A HN 0.511 nan 8.150 nan 0.000 0.444 16 V N -0.462 119.498 119.914 0.077 0.000 2.270 16 V HA -0.173 3.947 4.120 -0.000 0.000 0.245 16 V C 2.182 178.322 176.094 0.077 0.000 1.043 16 V CA 2.621 64.991 62.300 0.116 0.000 1.014 16 V CB -0.821 31.101 31.823 0.165 0.000 0.645 16 V HN 0.244 nan 8.190 nan 0.000 0.447 17 V N 1.047 120.991 119.914 0.051 0.000 2.332 17 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 17 V C 3.048 179.160 176.094 0.030 0.000 1.055 17 V CA 2.431 64.751 62.300 0.034 0.000 1.038 17 V CB -1.443 30.389 31.823 0.014 0.000 0.651 17 V HN 0.740 nan 8.190 nan 0.000 0.450 18 A N -0.602 122.235 122.820 0.029 0.000 1.898 18 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 18 A C 2.368 179.974 177.584 0.037 0.000 1.181 18 A CA 1.967 54.021 52.037 0.028 0.000 0.620 18 A CB -0.579 18.436 19.000 0.025 0.000 0.819 18 A HN 0.341 nan 8.150 nan 0.000 0.442 19 V N 0.716 120.660 119.914 0.051 0.000 2.453 19 V HA -0.206 3.914 4.120 -0.000 0.000 0.247 19 V C 2.402 178.526 176.094 0.050 0.000 1.048 19 V CA 1.934 64.268 62.300 0.056 0.000 1.049 19 V CB -0.905 30.963 31.823 0.075 0.000 0.672 19 V HN 0.548 nan 8.190 nan 0.000 0.457 20 N N 0.714 119.444 118.700 0.051 0.000 2.025 20 N HA -0.167 4.573 4.740 -0.000 0.000 0.194 20 N C 1.988 177.517 175.510 0.032 0.000 1.044 20 N CA 1.917 54.993 53.050 0.043 0.000 0.851 20 N CB -0.562 37.952 38.487 0.045 0.000 1.036 20 N HN 0.429 nan 8.380 nan 0.000 0.422 21 A N 1.846 124.683 122.820 0.028 0.000 1.915 21 A HA -0.229 4.091 4.320 -0.000 0.000 0.220 21 A C 2.229 179.826 177.584 0.021 0.000 1.198 21 A CA 1.645 53.694 52.037 0.021 0.000 0.647 21 A CB -0.489 18.522 19.000 0.018 0.000 0.825 21 A HN 0.170 nan 8.150 nan 0.000 0.456 22 K N -0.519 119.896 120.400 0.026 0.000 1.978 22 K HA -0.105 4.215 4.320 -0.000 0.000 0.214 22 K C 2.397 179.013 176.600 0.026 0.000 1.049 22 K CA 1.535 57.837 56.287 0.026 0.000 0.939 22 K CB -1.095 31.423 32.500 0.030 0.000 0.721 22 K HN 0.441 nan 8.250 nan 0.000 0.441 23 A N 2.161 124.999 122.820 0.030 0.000 1.869 23 A HA -0.228 4.091 4.320 -0.000 0.000 0.218 23 A C 2.208 179.806 177.584 0.022 0.000 1.203 23 A CA 1.787 53.841 52.037 0.029 0.000 0.638 23 A CB -0.784 18.236 19.000 0.034 0.000 0.831 23 A HN 0.207 nan 8.150 nan 0.000 0.450 24 L N 0.205 121.440 121.223 0.020 0.000 1.951 24 L HA -0.288 4.052 4.340 -0.000 0.000 0.222 24 L C 2.723 179.601 176.870 0.013 0.000 1.078 24 L CA 2.707 57.556 54.840 0.015 0.000 0.778 24 L CB -1.830 40.237 42.059 0.014 0.000 0.893 24 L HN 0.837 nan 8.230 nan 0.000 0.436 25 E N -0.472 119.736 120.200 0.013 0.000 2.147 25 E HA -0.267 4.083 4.350 -0.000 0.000 0.199 25 E C 2.099 178.707 176.600 0.012 0.000 1.005 25 E CA 1.388 57.795 56.400 0.012 0.000 0.810 25 E CB -0.140 29.567 29.700 0.012 0.000 0.736 25 E HN 0.302 nan 8.360 nan 0.000 0.460 26 L N 0.996 122.228 121.223 0.015 0.000 2.072 26 L HA -0.024 4.316 4.340 -0.000 0.000 0.205 26 L C 2.596 179.474 176.870 0.013 0.000 1.079 26 L CA 1.534 56.383 54.840 0.015 0.000 0.752 26 L CB -1.300 40.770 42.059 0.019 0.000 0.906 26 L HN 0.181 nan 8.230 nan 0.000 0.436 27 R N -0.554 119.953 120.500 0.013 0.000 2.159 27 R HA -0.144 4.195 4.340 -0.000 0.000 0.237 27 R C 2.237 178.541 176.300 0.008 0.000 1.131 27 R CA 0.829 56.935 56.100 0.010 0.000 0.982 27 R CB 0.002 30.307 30.300 0.009 0.000 0.868 27 R HN 0.319 nan 8.270 nan 0.000 0.453 28 R N 0.647 121.152 120.500 0.008 0.000 2.080 28 R HA -0.016 4.324 4.340 -0.000 0.000 0.222 28 R C 0.711 177.014 176.300 0.006 0.000 1.107 28 R CA 0.924 57.028 56.100 0.006 0.000 0.980 28 R CB -0.258 30.046 30.300 0.006 0.000 0.879 28 R HN 0.385 nan 8.270 nan 0.000 0.439 29 Q N 1.257 121.062 119.800 0.008 0.000 2.963 29 Q HA 0.397 4.737 4.340 -0.000 0.000 0.262 29 Q C 0.368 176.372 176.000 0.008 0.000 1.318 29 Q CA 0.246 56.054 55.803 0.008 0.000 1.089 29 Q CB 0.654 29.397 28.738 0.008 0.000 1.424 29 Q HN 0.333 nan 8.270 nan 0.000 0.560 30 G N 0.877 109.681 108.800 0.007 0.000 2.687 30 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.303 30 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.303 30 G C 0.074 174.979 174.900 0.008 0.000 1.209 30 G CA -0.235 44.869 45.100 0.007 0.000 0.968 30 G HN 0.750 nan 8.290 nan 0.000 0.549 31 V N 2.295 122.215 119.914 0.010 0.000 4.870 31 V HA -0.103 4.017 4.120 -0.000 0.000 0.435 31 V C 0.493 176.593 176.094 0.011 0.000 0.743 31 V CA 1.907 64.214 62.300 0.012 0.000 1.662 31 V CB -0.691 31.141 31.823 0.015 0.000 1.945 31 V HN 1.312 nan 8.190 nan 0.000 0.485 32 D N 6.367 126.774 120.400 0.010 0.000 2.427 32 D HA 0.508 5.147 4.640 -0.000 0.000 0.226 32 D C -0.473 175.834 176.300 0.012 0.000 1.076 32 D CA -0.791 53.214 54.000 0.008 0.000 0.849 32 D CB 1.669 42.472 40.800 0.004 0.000 1.052 32 D HN 0.552 nan 8.370 nan 0.000 0.515 33 L N 0.682 121.914 121.223 0.015 0.000 2.343 33 L HA 0.487 4.827 4.340 -0.000 0.000 0.278 33 L C -0.506 176.375 176.870 0.018 0.000 0.996 33 L CA -1.212 53.642 54.840 0.022 0.000 0.831 33 L CB 1.570 43.648 42.059 0.031 0.000 1.232 33 L HN 0.024 nan 8.230 nan 0.000 0.413 34 V N 2.287 122.209 119.914 0.012 0.000 2.493 34 V HA 0.467 4.587 4.120 -0.000 0.000 0.292 34 V C 1.045 177.150 176.094 0.019 0.000 1.016 34 V CA 0.252 62.552 62.300 -0.001 0.000 1.097 34 V CB 0.285 32.093 31.823 -0.026 0.000 0.947 34 V HN 0.994 nan 8.190 nan 0.000 0.479 35 A N 6.365 129.193 122.820 0.014 0.000 2.316 35 A HA 0.671 4.991 4.320 -0.000 0.000 0.324 35 A C 0.152 177.752 177.584 0.026 0.000 1.375 35 A CA -0.548 51.506 52.037 0.029 0.000 0.882 35 A CB 0.155 19.172 19.000 0.027 0.000 1.152 35 A HN 0.888 nan 8.150 nan 0.000 0.512 36 L N 3.219 124.472 121.223 0.050 0.000 2.888 36 L HA 0.085 4.425 4.340 -0.000 0.000 0.237 36 L C 1.832 178.746 176.870 0.072 0.000 1.288 36 L CA 0.276 55.147 54.840 0.052 0.000 1.110 36 L CB -0.939 41.172 42.059 0.086 0.000 1.441 36 L HN 0.910 nan 8.230 nan 0.000 0.474 37 T N -2.214 112.380 114.554 0.067 0.000 2.764 37 T HA 0.149 4.499 4.350 -0.000 0.000 0.243 37 T C 1.103 175.876 174.700 0.121 0.000 1.065 37 T CA 0.372 62.528 62.100 0.092 0.000 1.219 37 T CB -0.043 68.876 68.868 0.084 0.000 0.918 37 T HN 0.267 nan 8.240 nan 0.000 0.409 38 A N 1.273 124.152 122.820 0.099 0.000 2.445 38 A HA 0.550 4.870 4.320 -0.000 0.000 0.242 38 A C 1.106 178.778 177.584 0.147 0.000 1.075 38 A CA -0.106 52.008 52.037 0.128 0.000 0.777 38 A CB -0.331 18.722 19.000 0.089 0.000 1.013 38 A HN 0.826 nan 8.150 nan 0.000 0.493 39 G N 1.553 110.525 108.800 0.286 0.000 3.316 39 G HA2 0.453 4.413 3.960 -0.000 0.000 0.255 39 G HA3 0.453 4.413 3.960 -0.000 0.000 0.255 39 G C -0.019 175.016 174.900 0.226 0.000 0.880 39 G CA 0.122 45.474 45.100 0.421 0.000 1.956 39 G HN 0.889 nan 8.290 nan 0.000 0.634 40 E N 0.775 120.940 120.200 -0.058 0.000 2.275 40 E HA 0.495 4.845 4.350 -0.000 0.000 0.270 40 E C -2.912 173.551 176.600 -0.228 0.000 0.882 40 E CA -2.195 54.170 56.400 -0.059 0.000 0.758 40 E CB 2.011 31.733 29.700 0.036 0.000 1.195 40 E HN -0.033 nan 8.360 nan 0.000 0.419 41 P HA -0.087 nan 4.420 nan 0.000 0.271 41 P C -0.090 177.185 177.300 -0.042 0.000 1.228 41 P CA 0.186 63.246 63.100 -0.066 0.000 0.797 41 P CB 0.521 32.408 31.700 0.311 0.000 0.914 42 D N -0.488 119.846 120.400 -0.110 0.000 2.423 42 D HA -0.004 4.636 4.640 -0.000 0.000 0.212 42 D C 0.502 176.769 176.300 -0.054 0.000 1.060 42 D CA 0.183 54.098 54.000 -0.142 0.000 0.872 42 D CB -0.545 40.098 40.800 -0.262 0.000 1.012 42 D HN 0.279 nan 8.370 nan 0.000 0.503 43 F N 1.557 121.593 119.950 0.144 0.000 2.589 43 F HA 0.143 4.668 4.527 -0.003 0.000 0.352 43 F C 1.067 176.987 175.800 0.199 0.000 1.168 43 F CA -0.251 57.865 58.000 0.194 0.000 1.353 43 F CB 0.457 39.636 39.000 0.298 0.000 1.116 43 F HN -0.217 nan 8.300 nan 0.000 0.608 44 D N 0.725 121.359 120.400 0.389 0.000 2.168 44 D HA 0.082 4.721 4.640 -0.000 0.000 0.246 44 D C -0.334 176.078 176.300 0.187 0.000 1.050 44 D CA -0.367 53.785 54.000 0.253 0.000 0.857 44 D CB 1.317 42.230 40.800 0.189 0.000 1.169 44 D HN 0.478 nan 8.370 nan 0.000 0.453 45 T N 3.373 118.013 114.554 0.142 0.000 2.819 45 T HA 0.057 4.407 4.350 -0.000 0.000 0.282 45 T C -2.153 172.449 174.700 -0.164 0.000 1.013 45 T CA -0.843 61.221 62.100 -0.061 0.000 1.159 45 T CB 0.106 68.949 68.868 -0.042 0.000 1.007 45 T HN 0.211 nan 8.240 nan 0.000 0.514 46 P HA -0.014 nan 4.420 nan 0.000 0.264 46 P C 0.945 178.177 177.300 -0.113 0.000 1.173 46 P CA -0.012 62.925 63.100 -0.272 0.000 0.761 46 P CB 0.458 31.972 31.700 -0.311 0.000 0.794 47 E N 2.119 122.324 120.200 0.008 0.000 2.077 47 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 47 E C 1.800 178.401 176.600 0.002 0.000 0.989 47 E CA 1.450 57.860 56.400 0.017 0.000 0.800 47 E CB -0.667 29.059 29.700 0.043 0.000 0.746 47 E HN 0.676 nan 8.360 nan 0.000 0.452 48 H N -0.056 118.949 119.070 -0.108 0.000 2.457 48 H HA -0.033 4.522 4.556 -0.001 0.000 0.297 48 H C 2.018 177.258 175.328 -0.146 0.000 1.092 48 H CA 1.086 57.068 56.048 -0.110 0.000 1.309 48 H CB -0.712 28.984 29.762 -0.111 0.000 1.382 48 H HN -0.030 nan 8.280 nan 0.000 0.535 49 V N 1.254 120.714 119.914 -0.757 0.000 2.535 49 V HA -0.134 3.985 4.120 -0.000 0.000 0.246 49 V C 2.589 178.469 176.094 -0.356 0.000 1.045 49 V CA 1.579 63.459 62.300 -0.699 0.000 1.058 49 V CB -0.282 31.019 31.823 -0.870 0.000 0.689 49 V HN 0.316 nan 8.190 nan 0.000 0.461 50 K N -0.576 119.704 120.400 -0.199 0.000 2.097 50 K HA -0.152 4.168 4.320 -0.000 0.000 0.205 50 K C 2.202 178.811 176.600 0.016 0.000 1.050 50 K CA 1.095 57.386 56.287 0.008 0.000 0.938 50 K CB -0.148 32.395 32.500 0.071 0.000 0.718 50 K HN 0.312 nan 8.250 nan 0.000 0.442 51 E N 0.792 120.977 120.200 -0.024 0.000 2.058 51 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 51 E C 1.942 178.533 176.600 -0.015 0.000 0.997 51 E CA 1.386 57.780 56.400 -0.010 0.000 0.801 51 E CB -0.166 29.528 29.700 -0.010 0.000 0.746 51 E HN 0.295 nan 8.360 nan 0.000 0.450 52 A N 0.673 123.468 122.820 -0.041 0.000 2.067 52 A HA -0.019 4.301 4.320 -0.000 0.000 0.219 52 A C 2.238 179.835 177.584 0.021 0.000 1.158 52 A CA 1.641 53.663 52.037 -0.025 0.000 0.661 52 A CB -0.259 18.711 19.000 -0.049 0.000 0.801 52 A HN 0.250 nan 8.150 nan 0.000 0.452 53 A N -0.435 122.420 122.820 0.058 0.000 2.072 53 A HA 0.035 4.355 4.320 -0.000 0.000 0.216 53 A C 2.182 179.814 177.584 0.079 0.000 1.156 53 A CA 0.919 53.040 52.037 0.140 0.000 0.701 53 A CB -0.232 18.950 19.000 0.303 0.000 0.816 53 A HN 0.529 nan 8.150 nan 0.000 0.458 54 R N -0.968 119.559 120.500 0.044 0.000 2.080 54 R HA 0.048 4.388 4.340 -0.000 0.000 0.222 54 R C 2.364 178.653 176.300 -0.019 0.000 1.107 54 R CA 1.151 57.259 56.100 0.014 0.000 0.980 54 R CB -0.210 30.097 30.300 0.011 0.000 0.879 54 R HN 0.435 nan 8.270 nan 0.000 0.439 55 R N 0.760 121.241 120.500 -0.032 0.000 2.120 55 R HA -0.077 4.263 4.340 -0.000 0.000 0.234 55 R C 2.065 178.293 176.300 -0.120 0.000 1.123 55 R CA 1.366 57.425 56.100 -0.069 0.000 0.975 55 R CB -0.110 30.150 30.300 -0.068 0.000 0.866 55 R HN 0.217 nan 8.270 nan 0.000 0.446 56 A N 0.597 123.352 122.820 -0.108 0.000 1.854 56 A HA -0.096 4.224 4.320 -0.000 0.000 0.214 56 A C 2.091 179.596 177.584 -0.132 0.000 1.192 56 A CA 0.981 52.906 52.037 -0.187 0.000 0.611 56 A CB -0.526 18.439 19.000 -0.058 0.000 0.832 56 A HN 0.297 nan 8.150 nan 0.000 0.442 57 L N -0.632 120.557 121.223 -0.056 0.000 2.042 57 L HA -0.226 4.113 4.340 -0.000 0.000 0.210 57 L C 3.101 179.934 176.870 -0.061 0.000 1.076 57 L CA 1.147 55.961 54.840 -0.043 0.000 0.749 57 L CB -0.615 41.432 42.059 -0.020 0.000 0.893 57 L HN 0.464 nan 8.230 nan 0.000 0.432 58 A N -0.475 122.306 122.820 -0.065 0.000 1.978 58 A HA -0.230 4.090 4.320 -0.000 0.000 0.220 58 A C 1.986 179.520 177.584 -0.083 0.000 1.170 58 A CA 1.463 53.460 52.037 -0.065 0.000 0.636 58 A CB -0.363 18.601 19.000 -0.060 0.000 0.810 58 A HN 0.548 nan 8.150 nan 0.000 0.448 59 Q N -1.173 118.555 119.800 -0.120 0.000 2.246 59 Q HA 0.325 4.665 4.340 -0.000 0.000 0.202 59 Q C 0.732 176.654 176.000 -0.130 0.000 0.883 59 Q CA 0.141 55.860 55.803 -0.139 0.000 0.952 59 Q CB 0.151 28.767 28.738 -0.204 0.000 1.078 59 Q HN 0.764 nan 8.270 nan 0.000 0.493 60 G N 2.292 111.031 108.800 -0.101 0.000 2.366 60 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.299 60 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.299 60 G C 0.133 174.983 174.900 -0.083 0.000 1.020 60 G CA 0.092 45.145 45.100 -0.077 0.000 1.026 60 G HN 0.162 nan 8.290 nan 0.000 0.512 61 K N 0.718 121.049 120.400 -0.115 0.000 3.226 61 K HA 0.132 4.452 4.320 -0.000 0.000 0.268 61 K C 1.596 178.214 176.600 0.031 0.000 1.217 61 K CA 0.723 56.950 56.287 -0.100 0.000 1.242 61 K CB -0.006 32.290 32.500 -0.341 0.000 1.389 61 K HN 0.611 nan 8.250 nan 0.000 0.406 62 T N -2.345 112.216 114.554 0.012 0.000 3.243 62 T HA 0.200 4.550 4.350 -0.000 0.000 0.264 62 T C 0.496 175.194 174.700 -0.004 0.000 1.000 62 T CA -0.526 61.586 62.100 0.020 0.000 0.901 62 T CB 0.371 69.232 68.868 -0.012 0.000 1.083 62 T HN -0.116 nan 8.240 nan 0.000 0.559 63 K N 0.583 120.996 120.400 0.020 0.000 2.520 63 K HA 0.410 4.730 4.320 -0.000 0.000 0.256 63 K C -0.242 176.389 176.600 0.051 0.000 1.033 63 K CA -0.728 55.545 56.287 -0.022 0.000 1.007 63 K CB 0.308 32.816 32.500 0.013 0.000 1.330 63 K HN 0.155 nan 8.250 nan 0.000 0.507 64 Y N -0.196 120.133 120.300 0.049 0.000 2.330 64 Y HA 0.283 4.834 4.550 0.001 0.000 0.341 64 Y C 0.635 176.566 175.900 0.052 0.000 1.278 64 Y CA -0.343 57.783 58.100 0.044 0.000 1.453 64 Y CB 0.504 38.983 38.460 0.032 0.000 1.342 64 Y HN 0.561 nan 8.280 nan 0.000 0.590 65 A N 2.151 125.106 122.820 0.225 0.000 2.479 65 A HA 0.740 5.060 4.320 -0.000 0.000 0.296 65 A C -2.801 174.817 177.584 0.057 0.000 1.121 65 A CA -2.106 50.001 52.037 0.117 0.000 0.743 65 A CB 0.931 19.978 19.000 0.078 0.000 1.323 65 A HN 0.498 nan 8.150 nan 0.000 0.415 66 P HA 0.105 nan 4.420 nan 0.000 0.267 66 P C -1.814 175.480 177.300 -0.009 0.000 1.201 66 P CA -0.739 62.362 63.100 0.002 0.000 0.775 66 P CB 0.332 32.032 31.700 -0.002 0.000 0.854 67 P HA -0.156 nan 4.420 nan 0.000 0.222 67 P C 0.671 177.969 177.300 -0.004 0.000 1.147 67 P CA 1.431 64.520 63.100 -0.018 0.000 0.790 67 P CB -0.139 31.547 31.700 -0.024 0.000 0.780 68 A N -0.686 122.131 122.820 -0.005 0.000 2.275 68 A HA 0.506 4.826 4.320 -0.000 0.000 0.212 68 A C 1.051 178.631 177.584 -0.006 0.000 1.201 68 A CA 0.599 52.636 52.037 -0.000 0.000 0.843 68 A CB -0.772 18.227 19.000 -0.002 0.000 0.873 68 A HN 0.383 nan 8.150 nan 0.000 0.492 69 G N -0.138 108.652 108.800 -0.016 0.000 2.675 69 G HA2 0.027 3.987 3.960 -0.000 0.000 0.686 69 G HA3 0.027 3.987 3.960 -0.000 0.000 0.686 69 G C -0.077 174.778 174.900 -0.074 0.000 1.215 69 G CA -0.515 44.559 45.100 -0.043 0.000 0.777 69 G HN 1.463 nan 8.290 nan 0.000 0.638 70 I N -0.085 120.404 120.570 -0.135 0.000 2.845 70 I HA 0.304 4.474 4.170 -0.000 0.000 0.296 70 I C -1.006 175.014 176.117 -0.162 0.000 1.216 70 I CA -1.089 60.106 61.300 -0.176 0.000 1.438 70 I CB 0.701 38.476 38.000 -0.376 0.000 1.342 70 I HN 0.250 nan 8.210 nan 0.000 0.577 71 P HA -0.104 nan 4.420 nan 0.000 0.223 71 P C 0.802 178.041 177.300 -0.102 0.000 1.144 71 P CA 1.316 64.371 63.100 -0.076 0.000 0.783 71 P CB 0.242 31.922 31.700 -0.033 0.000 0.771 72 E N -0.802 119.297 120.200 -0.169 0.000 2.042 72 E HA -0.021 4.329 4.350 -0.000 0.000 0.189 72 E C 1.916 178.388 176.600 -0.213 0.000 0.974 72 E CA 0.536 56.829 56.400 -0.178 0.000 0.806 72 E CB -1.021 28.541 29.700 -0.230 0.000 0.769 72 E HN 0.102 nan 8.360 nan 0.000 0.451 73 L N 0.682 121.723 121.223 -0.302 0.000 2.127 73 L HA -0.190 4.150 4.340 -0.000 0.000 0.211 73 L C 2.389 179.130 176.870 -0.215 0.000 1.089 73 L CA 1.269 55.938 54.840 -0.285 0.000 0.757 73 L CB -0.052 41.821 42.059 -0.309 0.000 0.899 73 L HN 0.081 nan 8.230 nan 0.000 0.434 74 R N 0.003 120.405 120.500 -0.162 0.000 2.115 74 R HA -0.230 4.110 4.340 -0.000 0.000 0.230 74 R C 2.119 178.371 176.300 -0.080 0.000 1.111 74 R CA 1.587 57.628 56.100 -0.098 0.000 0.976 74 R CB 0.046 30.306 30.300 -0.068 0.000 0.870 74 R HN 0.455 nan 8.270 nan 0.000 0.445 75 E N -0.371 119.774 120.200 -0.091 0.000 2.122 75 E HA -0.001 4.349 4.350 -0.000 0.000 0.190 75 E C 1.580 178.129 176.600 -0.085 0.000 0.977 75 E CA 1.360 57.720 56.400 -0.067 0.000 0.820 75 E CB -0.228 29.439 29.700 -0.054 0.000 0.770 75 E HN 0.265 nan 8.360 nan 0.000 0.462 76 A N 0.384 123.126 122.820 -0.129 0.000 2.014 76 A HA 0.012 4.332 4.320 -0.000 0.000 0.218 76 A C 2.023 179.482 177.584 -0.207 0.000 1.163 76 A CA 1.023 52.967 52.037 -0.155 0.000 0.652 76 A CB -0.478 18.410 19.000 -0.186 0.000 0.808 76 A HN 0.331 nan 8.150 nan 0.000 0.449 77 L N -0.676 120.410 121.223 -0.229 0.000 2.156 77 L HA 0.008 4.348 4.340 -0.000 0.000 0.208 77 L C 2.718 179.521 176.870 -0.112 0.000 1.095 77 L CA 1.637 56.301 54.840 -0.294 0.000 0.770 77 L CB -0.701 41.233 42.059 -0.207 0.000 0.914 77 L HN 0.375 nan 8.230 nan 0.000 0.439 78 A N -1.467 121.341 122.820 -0.019 0.000 2.206 78 A HA -0.077 4.243 4.320 -0.000 0.000 0.211 78 A C 1.999 179.602 177.584 0.031 0.000 1.158 78 A CA 0.960 53.034 52.037 0.061 0.000 0.761 78 A CB -0.295 18.727 19.000 0.038 0.000 0.801 78 A HN 0.525 nan 8.150 nan 0.000 0.473 79 E N -0.894 119.283 120.200 -0.038 0.000 2.389 79 E HA 0.003 4.353 4.350 -0.000 0.000 0.199 79 E C 1.782 178.346 176.600 -0.060 0.000 0.978 79 E CA 0.006 56.385 56.400 -0.034 0.000 0.912 79 E CB 0.124 29.796 29.700 -0.048 0.000 0.907 79 E HN 0.471 nan 8.360 nan 0.000 0.494 80 K N 1.249 121.554 120.400 -0.158 0.000 1.980 80 K HA -0.058 4.262 4.320 -0.000 0.000 0.208 80 K C 1.755 178.273 176.600 -0.137 0.000 1.043 80 K CA 1.042 57.195 56.287 -0.222 0.000 0.938 80 K CB -0.265 31.954 32.500 -0.469 0.000 0.724 80 K HN 0.078 nan 8.250 nan 0.000 0.438 81 F N 1.221 121.178 119.950 0.012 0.000 2.287 81 F HA -0.170 4.358 4.527 0.001 0.000 0.301 81 F C 2.728 178.535 175.800 0.011 0.000 1.069 81 F CA 0.812 58.825 58.000 0.022 0.000 1.372 81 F CB 0.005 39.018 39.000 0.021 0.000 1.056 81 F HN 0.124 nan 8.300 nan 0.000 0.523 82 R N -0.136 120.455 120.500 0.152 0.000 2.048 82 R HA -0.016 4.324 4.340 -0.000 0.000 0.221 82 R C 2.409 178.747 176.300 0.062 0.000 1.174 82 R CA 0.716 56.871 56.100 0.093 0.000 0.971 82 R CB -0.289 30.048 30.300 0.062 0.000 0.863 82 R HN 0.127 nan 8.270 nan 0.000 0.439 83 R N 1.069 121.593 120.500 0.039 0.000 2.061 83 R HA -0.132 4.208 4.340 -0.000 0.000 0.230 83 R C 1.841 178.167 176.300 0.042 0.000 1.140 83 R CA 1.786 57.905 56.100 0.031 0.000 0.940 83 R CB 0.006 30.315 30.300 0.014 0.000 0.839 83 R HN 0.267 nan 8.270 nan 0.000 0.429 84 E N 0.109 120.335 120.200 0.044 0.000 2.011 84 E HA -0.092 4.257 4.350 -0.000 0.000 0.191 84 E C 1.571 178.217 176.600 0.076 0.000 0.979 84 E CA 0.934 57.368 56.400 0.058 0.000 0.822 84 E CB -0.178 29.560 29.700 0.063 0.000 0.782 84 E HN 0.343 nan 8.360 nan 0.000 0.459 85 N N 0.016 118.785 118.700 0.116 0.000 2.609 85 N HA -0.037 4.703 4.740 -0.000 0.000 0.190 85 N C 1.015 176.568 175.510 0.072 0.000 1.157 85 N CA 0.993 54.126 53.050 0.137 0.000 0.918 85 N CB 0.149 38.794 38.487 0.263 0.000 0.978 85 N HN 0.430 nan 8.380 nan 0.000 0.448 86 G N -0.560 108.280 108.800 0.066 0.000 2.228 86 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.270 86 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.270 86 G C 0.127 175.044 174.900 0.028 0.000 0.976 86 G CA 0.307 45.431 45.100 0.039 0.000 0.636 86 G HN 0.214 nan 8.290 nan 0.000 0.542 87 L N 0.628 121.877 121.223 0.044 0.000 2.479 87 L HA 0.555 4.895 4.340 -0.000 0.000 0.270 87 L C 0.991 177.890 176.870 0.048 0.000 1.236 87 L CA 0.386 55.243 54.840 0.029 0.000 0.823 87 L CB 1.121 43.202 42.059 0.036 0.000 1.098 87 L HN 0.079 nan 8.230 nan 0.000 0.500 88 S N 0.351 116.068 115.700 0.029 0.000 2.259 88 S HA 0.493 4.963 4.470 -0.000 0.000 0.181 88 S C -0.570 174.047 174.600 0.028 0.000 1.589 88 S CA -0.584 57.635 58.200 0.033 0.000 1.234 88 S CB 0.657 63.872 63.200 0.025 0.000 1.119 88 S HN 0.405 nan 8.310 nan 0.000 0.458 89 V N 0.664 120.604 119.914 0.043 0.000 2.815 89 V HA 0.887 5.007 4.120 -0.000 0.000 0.314 89 V C 0.087 176.207 176.094 0.043 0.000 1.064 89 V CA -0.849 61.473 62.300 0.036 0.000 0.952 89 V CB 1.534 33.381 31.823 0.039 0.000 1.020 89 V HN 0.558 nan 8.190 nan 0.000 0.439 90 T N 0.494 115.066 114.554 0.030 0.000 2.944 90 T HA 0.543 4.893 4.350 -0.000 0.000 0.284 90 T C -2.093 172.624 174.700 0.028 0.000 1.010 90 T CA -1.923 60.192 62.100 0.024 0.000 1.025 90 T CB 1.414 70.291 68.868 0.015 0.000 1.079 90 T HN 0.500 nan 8.240 nan 0.000 0.516 91 P HA -0.116 nan 4.420 nan 0.000 0.218 91 P C 0.929 178.238 177.300 0.015 0.000 1.146 91 P CA 1.020 64.130 63.100 0.017 0.000 0.813 91 P CB -0.022 31.678 31.700 0.000 0.000 0.778 92 E N -0.240 119.966 120.200 0.011 0.000 2.268 92 E HA -0.139 4.211 4.350 -0.000 0.000 0.195 92 E C 0.989 177.594 176.600 0.008 0.000 0.995 92 E CA 0.822 57.226 56.400 0.007 0.000 0.836 92 E CB -0.734 28.969 29.700 0.005 0.000 0.763 92 E HN 0.502 nan 8.360 nan 0.000 0.491 93 E N 0.488 120.695 120.200 0.012 0.000 2.394 93 E HA 0.123 4.473 4.350 -0.000 0.000 0.191 93 E C -0.327 176.282 176.600 0.013 0.000 1.044 93 E CA 0.058 56.460 56.400 0.003 0.000 0.939 93 E CB 0.436 30.134 29.700 -0.003 0.000 1.089 93 E HN 0.005 nan 8.360 nan 0.000 0.456 94 T N 1.254 115.831 114.554 0.038 0.000 2.924 94 T HA 0.652 5.002 4.350 -0.000 0.000 0.291 94 T C -0.551 174.187 174.700 0.063 0.000 1.045 94 T CA -0.596 61.555 62.100 0.084 0.000 1.015 94 T CB 2.079 71.009 68.868 0.102 0.000 1.103 94 T HN 0.109 nan 8.240 nan 0.000 0.496 95 I N 1.131 121.760 120.570 0.098 0.000 2.753 95 I HA 0.488 4.658 4.170 -0.000 0.000 0.291 95 I C -1.778 174.408 176.117 0.115 0.000 1.425 95 I CA -0.968 60.377 61.300 0.074 0.000 1.039 95 I CB 1.463 39.489 38.000 0.044 0.000 1.349 95 I HN 0.427 nan 8.210 nan 0.000 0.430 96 V N 5.166 125.128 119.914 0.080 0.000 2.394 96 V HA 0.668 4.788 4.120 -0.000 0.000 0.282 96 V C 0.375 176.517 176.094 0.079 0.000 1.031 96 V CA -0.203 62.158 62.300 0.102 0.000 0.881 96 V CB 0.935 32.785 31.823 0.044 0.000 0.982 96 V HN 0.819 nan 8.190 nan 0.000 0.451 97 T N 0.682 115.291 114.554 0.090 0.000 2.907 97 T HA 0.556 4.906 4.350 -0.000 0.000 0.290 97 T C -0.318 174.412 174.700 0.051 0.000 1.066 97 T CA -0.736 61.400 62.100 0.059 0.000 1.012 97 T CB 1.859 70.757 68.868 0.050 0.000 1.184 97 T HN 0.297 nan 8.240 nan 0.000 0.522 98 V N 2.627 122.563 119.914 0.037 0.000 2.054 98 V HA 0.534 4.654 4.120 -0.000 0.000 0.243 98 V C 1.435 177.540 176.094 0.018 0.000 1.480 98 V CA 0.821 63.139 62.300 0.029 0.000 1.440 98 V CB -1.430 30.401 31.823 0.014 0.000 1.489 98 V HN 1.480 nan 8.190 nan 0.000 0.502 99 G N 3.373 112.182 108.800 0.016 0.000 2.710 99 G HA2 0.033 3.993 3.960 -0.000 0.000 0.668 99 G HA3 0.033 3.993 3.960 -0.000 0.000 0.668 99 G C 0.654 175.529 174.900 -0.042 0.000 1.320 99 G CA -0.260 44.832 45.100 -0.014 0.000 0.860 99 G HN 0.845 nan 8.290 nan 0.000 0.538 100 G N -0.674 108.077 108.800 -0.082 0.000 2.421 100 G HA2 0.136 4.096 3.960 -0.000 0.000 0.217 100 G HA3 0.136 4.096 3.960 -0.000 0.000 0.217 100 G C 2.110 177.016 174.900 0.011 0.000 1.143 100 G CA 2.086 47.133 45.100 -0.088 0.000 0.784 100 G HN 1.417 nan 8.290 nan 0.000 0.541 101 S N 0.435 116.166 115.700 0.052 0.000 2.365 101 S HA -0.183 4.287 4.470 -0.000 0.000 0.225 101 S C 2.263 176.933 174.600 0.117 0.000 1.039 101 S CA 1.265 59.548 58.200 0.140 0.000 1.033 101 S CB -0.325 62.941 63.200 0.109 0.000 0.887 101 S HN 0.387 nan 8.310 nan 0.000 0.447 102 Q N 0.569 120.408 119.800 0.064 0.000 2.084 102 Q HA -0.052 4.288 4.340 -0.000 0.000 0.202 102 Q C 2.512 178.572 176.000 0.099 0.000 0.978 102 Q CA 1.411 57.265 55.803 0.085 0.000 0.844 102 Q CB -0.407 28.357 28.738 0.042 0.000 0.898 102 Q HN 0.600 nan 8.270 nan 0.000 0.426 103 A N 0.293 123.141 122.820 0.047 0.000 2.070 103 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 103 A C 1.992 179.550 177.584 -0.043 0.000 1.159 103 A CA 0.964 53.007 52.037 0.009 0.000 0.656 103 A CB -0.347 18.652 19.000 -0.002 0.000 0.800 103 A HN 0.295 nan 8.150 nan 0.000 0.453 104 L N -2.984 118.225 121.223 -0.024 0.000 2.145 104 L HA 0.071 4.411 4.340 -0.000 0.000 0.201 104 L C 2.321 179.089 176.870 -0.170 0.000 1.075 104 L CA 0.840 55.570 54.840 -0.184 0.000 0.773 104 L CB -0.477 41.567 42.059 -0.024 0.000 0.936 104 L HN 0.434 nan 8.230 nan 0.000 0.451 105 F N 1.413 121.329 119.950 -0.057 0.000 2.161 105 F HA -0.241 4.286 4.527 0.001 0.000 0.300 105 F C 2.165 177.987 175.800 0.037 0.000 1.089 105 F CA 1.635 59.655 58.000 0.034 0.000 1.282 105 F CB -0.071 38.940 39.000 0.018 0.000 1.010 105 F HN 0.121 nan 8.300 nan 0.000 0.485 106 N N 0.168 118.945 118.700 0.128 0.000 2.250 106 N HA -0.108 4.632 4.740 -0.000 0.000 0.181 106 N C 2.092 177.569 175.510 -0.056 0.000 1.017 106 N CA 0.854 53.936 53.050 0.054 0.000 0.866 106 N CB -0.596 37.935 38.487 0.074 0.000 0.985 106 N HN 0.276 nan 8.380 nan 0.000 0.429 107 L N -0.116 121.036 121.223 -0.119 0.000 2.042 107 L HA -0.077 4.263 4.340 -0.000 0.000 0.210 107 L C 1.444 178.239 176.870 -0.126 0.000 1.076 107 L CA 1.664 56.387 54.840 -0.195 0.000 0.749 107 L CB -0.708 41.157 42.059 -0.324 0.000 0.893 107 L HN 0.176 nan 8.230 nan 0.000 0.432 108 F N -0.404 119.482 119.950 -0.108 0.000 2.293 108 F HA -0.143 4.384 4.527 0.000 0.000 0.297 108 F C 2.702 178.409 175.800 -0.155 0.000 1.089 108 F CA 0.259 58.184 58.000 -0.125 0.000 1.377 108 F CB 0.098 39.021 39.000 -0.128 0.000 1.051 108 F HN 0.210 nan 8.300 nan 0.000 0.511 109 Q N -0.039 119.746 119.800 -0.026 0.000 2.311 109 Q HA -0.031 4.309 4.340 -0.000 0.000 0.203 109 Q C 2.222 178.203 176.000 -0.033 0.000 0.954 109 Q CA 1.066 56.821 55.803 -0.080 0.000 0.885 109 Q CB -0.102 28.543 28.738 -0.155 0.000 0.963 109 Q HN 0.391 nan 8.270 nan 0.000 0.471 110 A N 0.732 123.534 122.820 -0.030 0.000 2.178 110 A HA 0.065 4.385 4.320 -0.000 0.000 0.211 110 A C 1.731 179.299 177.584 -0.027 0.000 1.157 110 A CA 0.324 52.341 52.037 -0.032 0.000 0.780 110 A CB -0.083 18.885 19.000 -0.053 0.000 0.828 110 A HN 0.420 nan 8.150 nan 0.000 0.476 111 I N -4.772 115.794 120.570 -0.008 0.000 4.338 111 I HA 0.425 4.595 4.170 -0.000 0.000 0.329 111 I C -0.473 175.691 176.117 0.078 0.000 1.378 111 I CA -0.190 61.128 61.300 0.030 0.000 1.170 111 I CB 0.409 38.381 38.000 -0.047 0.000 1.206 111 I HN -0.121 nan 8.210 nan 0.000 0.432 112 L N 3.143 124.394 121.223 0.047 0.000 2.262 112 L HA 0.516 4.856 4.340 -0.000 0.000 0.288 112 L C -0.845 176.019 176.870 -0.010 0.000 1.035 112 L CA -0.285 54.563 54.840 0.013 0.000 0.820 112 L CB 0.971 43.011 42.059 -0.032 0.000 1.204 112 L HN 0.122 nan 8.230 nan 0.000 0.424 113 D N 4.553 124.950 120.400 -0.005 0.000 2.229 113 D HA 0.339 4.979 4.640 -0.000 0.000 0.249 113 D C -2.299 173.981 176.300 -0.034 0.000 1.027 113 D CA -1.490 52.501 54.000 -0.015 0.000 0.923 113 D CB 1.673 42.472 40.800 -0.002 0.000 1.174 113 D HN 0.144 nan 8.370 nan 0.000 0.443 114 P HA 0.090 nan 4.420 nan 0.000 0.265 114 P C 0.707 177.979 177.300 -0.047 0.000 1.187 114 P CA 0.748 63.816 63.100 -0.053 0.000 0.766 114 P CB 0.505 32.174 31.700 -0.052 0.000 0.820 115 G N 1.616 110.382 108.800 -0.056 0.000 2.184 115 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.264 115 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.264 115 G C -0.052 174.817 174.900 -0.052 0.000 0.975 115 G CA -0.041 45.028 45.100 -0.051 0.000 0.642 115 G HN 0.512 nan 8.290 nan 0.000 0.536 116 D N 0.977 121.345 120.400 -0.054 0.000 2.341 116 D HA 0.498 5.138 4.640 -0.000 0.000 0.245 116 D C 0.663 176.916 176.300 -0.079 0.000 1.106 116 D CA 0.254 54.225 54.000 -0.049 0.000 0.905 116 D CB 0.596 41.379 40.800 -0.029 0.000 1.202 116 D HN 0.446 nan 8.370 nan 0.000 0.426 117 E N 0.306 120.457 120.200 -0.082 0.000 2.231 117 E HA 0.506 4.856 4.350 -0.000 0.000 0.277 117 E C -0.946 175.570 176.600 -0.140 0.000 0.999 117 E CA -0.862 55.471 56.400 -0.112 0.000 0.827 117 E CB 1.821 31.457 29.700 -0.107 0.000 1.101 117 E HN 0.096 nan 8.360 nan 0.000 0.393 118 V N 3.520 123.334 119.914 -0.166 0.000 2.577 118 V HA 0.352 4.472 4.120 -0.000 0.000 0.303 118 V C -0.255 175.741 176.094 -0.164 0.000 1.042 118 V CA -0.743 61.448 62.300 -0.181 0.000 0.872 118 V CB 1.443 33.105 31.823 -0.269 0.000 0.998 118 V HN 0.601 nan 8.190 nan 0.000 0.423 119 I N 5.379 125.858 120.570 -0.151 0.000 2.312 119 I HA 0.407 4.577 4.170 -0.000 0.000 0.291 119 I C 0.067 176.148 176.117 -0.061 0.000 1.031 119 I CA -0.522 60.716 61.300 -0.104 0.000 1.293 119 I CB 1.457 39.391 38.000 -0.111 0.000 1.403 119 I HN 0.590 nan 8.210 nan 0.000 0.484 120 V N 5.742 125.633 119.914 -0.039 0.000 2.630 120 V HA 0.593 4.713 4.120 -0.000 0.000 0.305 120 V C -0.349 175.832 176.094 0.145 0.000 1.046 120 V CA -0.860 61.440 62.300 -0.000 0.000 0.934 120 V CB 1.744 33.494 31.823 -0.121 0.000 1.003 120 V HN 0.481 nan 8.190 nan 0.000 0.451 121 L N 4.313 125.657 121.223 0.201 0.000 2.287 121 L HA 0.599 4.939 4.340 -0.000 0.000 0.287 121 L C 0.582 177.619 176.870 0.278 0.000 1.022 121 L CA -0.383 54.585 54.840 0.214 0.000 0.814 121 L CB 1.578 43.751 42.059 0.189 0.000 1.217 121 L HN 0.939 nan 8.230 nan 0.000 0.420 122 S N 2.719 118.530 115.700 0.185 0.000 2.586 122 S HA 0.565 5.035 4.470 -0.000 0.000 0.274 122 S C -2.581 172.022 174.600 0.005 0.000 1.281 122 S CA -1.503 56.658 58.200 -0.065 0.000 1.035 122 S CB 1.098 64.179 63.200 -0.199 0.000 0.962 122 S HN 0.309 nan 8.310 nan 0.000 0.512 123 P HA 0.304 nan 4.420 nan 0.000 0.276 123 P C -1.066 176.167 177.300 -0.113 0.000 1.230 123 P CA -0.193 62.739 63.100 -0.280 0.000 0.776 123 P CB 0.080 31.614 31.700 -0.277 0.000 0.888 124 Y N 0.139 120.546 120.300 0.178 0.000 2.598 124 Y HA 0.616 5.166 4.550 -0.000 0.000 0.340 124 Y C -0.621 175.489 175.900 0.350 0.000 1.038 124 Y CA -2.478 55.792 58.100 0.284 0.000 1.100 124 Y CB 0.041 38.658 38.460 0.262 0.000 1.281 124 Y HN 0.381 nan 8.280 nan 0.000 0.488 125 W N 2.901 124.501 121.300 0.500 0.000 2.251 125 W HA 0.316 4.976 4.660 0.001 0.000 0.327 125 W C 0.761 177.252 176.519 -0.047 0.000 1.361 125 W CA -0.850 56.588 57.345 0.155 0.000 1.234 125 W CB 0.763 30.192 29.460 -0.051 0.000 1.212 125 W HN 0.607 nan 8.180 nan 0.000 0.557 126 V N 4.717 124.244 119.914 -0.646 0.000 2.409 126 V HA -0.426 3.694 4.120 -0.000 0.000 0.261 126 V C 2.188 177.793 176.094 -0.815 0.000 1.099 126 V CA 2.826 64.647 62.300 -0.798 0.000 1.100 126 V CB -0.869 30.452 31.823 -0.836 0.000 0.677 126 V HN 0.803 nan 8.190 nan 0.000 0.460 127 S N -2.339 112.493 115.700 -1.447 0.000 2.356 127 S HA -0.088 4.382 4.470 -0.000 0.000 0.219 127 S C 1.587 175.772 174.600 -0.691 0.000 1.036 127 S CA 1.183 58.695 58.200 -1.145 0.000 0.965 127 S CB -0.390 61.885 63.200 -1.543 0.000 0.864 127 S HN 0.675 nan 8.310 nan 0.000 0.471 128 Y N 1.635 121.559 120.300 -0.625 0.000 2.136 128 Y HA -0.277 4.274 4.550 0.000 0.000 0.271 128 Y C -0.550 175.163 175.900 -0.312 0.000 1.252 128 Y CA 1.798 59.745 58.100 -0.256 0.000 1.117 128 Y CB -2.054 36.306 38.460 -0.166 0.000 0.932 128 Y HN 0.360 nan 8.280 nan 0.000 0.512 129 P HA -0.105 nan 4.420 nan 0.000 0.215 129 P C 1.312 178.489 177.300 -0.206 0.000 1.157 129 P CA 1.551 64.464 63.100 -0.312 0.000 0.856 129 P CB 0.061 31.523 31.700 -0.396 0.000 0.786 130 E N -0.734 119.352 120.200 -0.190 0.000 2.160 130 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 130 E C 1.973 178.562 176.600 -0.019 0.000 0.991 130 E CA 1.311 57.649 56.400 -0.103 0.000 0.810 130 E CB -0.707 28.909 29.700 -0.140 0.000 0.742 130 E HN 0.362 nan 8.360 nan 0.000 0.466 131 M N -0.316 119.271 119.600 -0.022 0.000 2.134 131 M HA -0.089 4.391 4.480 -0.000 0.000 0.262 131 M C 2.420 178.696 176.300 -0.040 0.000 1.076 131 M CA 0.821 56.187 55.300 0.111 0.000 1.143 131 M CB -0.291 32.508 32.600 0.332 0.000 1.346 131 M HN -0.093 nan 8.290 nan 0.000 0.421 132 V N 0.736 120.466 119.914 -0.305 0.000 2.568 132 V HA -0.269 3.851 4.120 -0.000 0.000 0.253 132 V C 2.314 178.243 176.094 -0.274 0.000 1.072 132 V CA 1.833 63.796 62.300 -0.562 0.000 1.084 132 V CB -0.674 30.755 31.823 -0.657 0.000 0.676 132 V HN 0.424 nan 8.190 nan 0.000 0.469 133 R N -1.853 118.562 120.500 -0.141 0.000 2.112 133 R HA 0.022 4.362 4.340 -0.000 0.000 0.216 133 R C 2.104 178.403 176.300 -0.002 0.000 1.080 133 R CA 0.925 56.981 56.100 -0.073 0.000 0.996 133 R CB -0.275 29.997 30.300 -0.047 0.000 0.902 133 R HN 0.470 nan 8.270 nan 0.000 0.449 134 F N 1.282 121.179 119.950 -0.088 0.000 2.451 134 F HA -0.028 4.499 4.527 0.001 0.000 0.299 134 F C 1.859 177.611 175.800 -0.080 0.000 1.101 134 F CA 0.852 58.828 58.000 -0.041 0.000 1.436 134 F CB 0.173 39.200 39.000 0.045 0.000 1.074 134 F HN -0.038 nan 8.300 nan 0.000 0.553 135 A N -1.033 121.777 122.820 -0.017 0.000 2.267 135 A HA 0.475 4.795 4.320 -0.000 0.000 0.213 135 A C 1.895 179.412 177.584 -0.112 0.000 1.192 135 A CA 0.758 52.741 52.037 -0.090 0.000 0.851 135 A CB -0.655 18.288 19.000 -0.096 0.000 0.881 135 A HN 0.673 nan 8.150 nan 0.000 0.494 136 G N -1.731 106.998 108.800 -0.118 0.000 2.238 136 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.217 136 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.217 136 G C 0.883 175.722 174.900 -0.102 0.000 0.996 136 G CA 0.135 45.171 45.100 -0.107 0.000 0.632 136 G HN 1.328 nan 8.290 nan 0.000 0.503 137 G N -0.474 108.250 108.800 -0.126 0.000 2.683 137 G HA2 0.614 4.574 3.960 -0.000 0.000 0.260 137 G HA3 0.614 4.574 3.960 -0.000 0.000 0.260 137 G C 0.293 175.112 174.900 -0.134 0.000 1.238 137 G CA 0.751 45.768 45.100 -0.139 0.000 0.934 137 G HN 1.682 nan 8.290 nan 0.000 0.534 138 V N -2.137 117.698 119.914 -0.131 0.000 2.735 138 V HA 0.678 4.798 4.120 -0.000 0.000 0.310 138 V C -0.262 175.753 176.094 -0.132 0.000 1.061 138 V CA -1.049 61.183 62.300 -0.113 0.000 0.913 138 V CB 1.770 33.544 31.823 -0.082 0.000 1.005 138 V HN 0.534 nan 8.190 nan 0.000 0.428 139 V N 5.305 125.146 119.914 -0.122 0.000 2.389 139 V HA 0.330 4.450 4.120 -0.000 0.000 0.264 139 V C 0.179 176.228 176.094 -0.075 0.000 1.049 139 V CA -0.183 62.041 62.300 -0.126 0.000 0.932 139 V CB 1.147 32.885 31.823 -0.142 0.000 1.011 139 V HN 0.757 nan 8.190 nan 0.000 0.475 140 V N 6.457 126.325 119.914 -0.076 0.000 2.313 140 V HA 0.319 4.439 4.120 -0.000 0.000 0.278 140 V C 0.234 176.318 176.094 -0.018 0.000 1.017 140 V CA -0.627 61.645 62.300 -0.046 0.000 0.823 140 V CB 1.238 33.018 31.823 -0.071 0.000 1.010 140 V HN 1.020 nan 8.190 nan 0.000 0.443 141 E N 4.571 124.791 120.200 0.034 0.000 2.156 141 E HA 0.651 5.001 4.350 -0.000 0.000 0.279 141 E C -1.128 175.524 176.600 0.086 0.000 0.965 141 E CA -0.746 55.711 56.400 0.095 0.000 0.789 141 E CB 2.186 32.014 29.700 0.212 0.000 1.098 141 E HN 0.294 nan 8.360 nan 0.000 0.397 142 V N 3.130 123.096 119.914 0.086 0.000 2.439 142 V HA 0.129 4.249 4.120 -0.000 0.000 0.282 142 V C 0.302 176.450 176.094 0.091 0.000 1.039 142 V CA -0.524 61.817 62.300 0.068 0.000 0.913 142 V CB 1.288 33.141 31.823 0.051 0.000 0.983 142 V HN 0.791 nan 8.190 nan 0.000 0.460 143 E N 2.498 122.743 120.200 0.075 0.000 2.373 143 E HA 0.452 4.802 4.350 -0.000 0.000 0.263 143 E C -0.287 176.359 176.600 0.078 0.000 1.073 143 E CA -0.276 56.172 56.400 0.081 0.000 0.894 143 E CB 1.168 30.909 29.700 0.068 0.000 1.008 143 E HN 0.851 nan 8.360 nan 0.000 0.420 144 T N 1.378 115.999 114.554 0.111 0.000 2.881 144 T HA 0.481 4.831 4.350 -0.000 0.000 0.290 144 T C -0.603 174.161 174.700 0.106 0.000 1.000 144 T CA -0.874 61.294 62.100 0.112 0.000 0.978 144 T CB 0.561 69.535 68.868 0.177 0.000 0.997 144 T HN 0.290 nan 8.240 nan 0.000 0.443 145 L N 5.381 126.569 121.223 -0.057 0.000 2.307 145 L HA 0.417 4.757 4.340 -0.000 0.000 0.282 145 L C -1.132 175.332 176.870 -0.677 0.000 1.051 145 L CA -2.568 52.132 54.840 -0.234 0.000 0.804 145 L CB 1.646 43.620 42.059 -0.141 0.000 1.197 145 L HN 0.475 nan 8.230 nan 0.000 0.431 146 P HA -0.201 nan 4.420 nan 0.000 0.218 146 P C 0.754 177.735 177.300 -0.532 0.000 1.148 146 P CA 1.324 63.692 63.100 -1.220 0.000 0.822 146 P CB 0.172 31.584 31.700 -0.481 0.000 0.784 147 E N 0.804 120.818 120.200 -0.310 0.000 2.208 147 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 147 E C 1.347 177.854 176.600 -0.156 0.000 0.988 147 E CA 0.926 57.225 56.400 -0.169 0.000 0.828 147 E CB -0.696 28.942 29.700 -0.104 0.000 0.763 147 E HN 0.432 nan 8.360 nan 0.000 0.478 148 E N 0.337 120.417 120.200 -0.200 0.000 2.474 148 E HA 0.153 4.503 4.350 -0.000 0.000 0.195 148 E C 0.424 176.949 176.600 -0.125 0.000 1.039 148 E CA 0.214 56.532 56.400 -0.136 0.000 0.881 148 E CB 0.419 30.050 29.700 -0.115 0.000 0.970 148 E HN 0.432 nan 8.360 nan 0.000 0.486 149 G N 0.851 109.531 108.800 -0.200 0.000 2.160 149 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.244 149 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.244 149 G C 0.459 175.420 174.900 0.103 0.000 1.022 149 G CA 0.166 45.232 45.100 -0.058 0.000 0.741 149 G HN 0.431 nan 8.290 nan 0.000 0.508 150 F N -3.721 116.246 119.950 0.028 0.000 2.896 150 F HA -0.306 4.221 4.527 0.000 0.000 0.368 150 F C 1.583 177.383 175.800 0.000 0.000 0.642 150 F CA 1.409 59.430 58.000 0.036 0.000 0.998 150 F CB -1.528 37.517 39.000 0.074 0.000 1.517 150 F HN 0.739 nan 8.300 nan 0.000 0.302 151 V N 3.720 123.667 119.914 0.055 0.000 2.572 151 V HA 0.263 4.383 4.120 -0.000 0.000 0.291 151 V C -1.225 174.703 176.094 -0.276 0.000 1.039 151 V CA -1.375 60.760 62.300 -0.274 0.000 1.055 151 V CB 0.893 32.607 31.823 -0.182 0.000 0.969 151 V HN -0.016 nan 8.190 nan 0.000 0.482 152 P HA 0.167 nan 4.420 nan 0.000 0.271 152 P C -1.290 175.921 177.300 -0.148 0.000 1.218 152 P CA -0.091 62.883 63.100 -0.210 0.000 0.780 152 P CB 0.850 32.428 31.700 -0.204 0.000 0.901 153 D N 3.278 123.634 120.400 -0.073 0.000 2.441 153 D HA 0.191 4.831 4.640 -0.000 0.000 0.231 153 D C -1.478 174.809 176.300 -0.021 0.000 1.073 153 D CA -2.663 51.308 54.000 -0.049 0.000 0.850 153 D CB 0.751 41.529 40.800 -0.037 0.000 1.062 153 D HN 0.085 nan 8.370 nan 0.000 0.524 154 P HA -0.195 nan 4.420 nan 0.000 0.223 154 P C 0.665 177.981 177.300 0.028 0.000 1.140 154 P CA 0.841 63.952 63.100 0.018 0.000 0.783 154 P CB 0.563 32.274 31.700 0.018 0.000 0.759 155 E N -0.255 119.953 120.200 0.013 0.000 2.102 155 E HA 0.004 4.354 4.350 -0.000 0.000 0.190 155 E C 2.252 178.860 176.600 0.013 0.000 0.971 155 E CA 0.665 57.075 56.400 0.016 0.000 0.821 155 E CB -0.448 29.256 29.700 0.007 0.000 0.777 155 E HN 0.056 nan 8.360 nan 0.000 0.460 156 R N -0.344 120.160 120.500 0.008 0.000 2.105 156 R HA -0.099 4.241 4.340 -0.000 0.000 0.239 156 R C 2.209 178.516 176.300 0.012 0.000 1.135 156 R CA 1.279 57.384 56.100 0.007 0.000 0.967 156 R CB -0.323 29.981 30.300 0.007 0.000 0.861 156 R HN 0.069 nan 8.270 nan 0.000 0.442 157 V N 0.880 120.807 119.914 0.022 0.000 2.270 157 V HA -0.272 3.848 4.120 -0.000 0.000 0.245 157 V C 2.436 178.550 176.094 0.033 0.000 1.043 157 V CA 2.101 64.420 62.300 0.032 0.000 1.014 157 V CB -0.567 31.290 31.823 0.057 0.000 0.645 157 V HN 0.381 nan 8.190 nan 0.000 0.447 158 R N 0.691 121.222 120.500 0.052 0.000 2.103 158 R HA -0.262 4.078 4.340 -0.000 0.000 0.242 158 R C 2.334 178.627 176.300 -0.013 0.000 1.142 158 R CA 2.374 58.506 56.100 0.053 0.000 0.960 158 R CB -0.522 29.825 30.300 0.078 0.000 0.858 158 R HN 0.414 nan 8.270 nan 0.000 0.439 159 R N 0.051 120.547 120.500 -0.007 0.000 2.105 159 R HA -0.101 4.239 4.340 -0.000 0.000 0.239 159 R C 2.059 178.335 176.300 -0.040 0.000 1.135 159 R CA 1.668 57.755 56.100 -0.022 0.000 0.967 159 R CB -0.356 29.939 30.300 -0.009 0.000 0.861 159 R HN 0.428 nan 8.270 nan 0.000 0.442 160 A N 0.469 123.266 122.820 -0.038 0.000 2.168 160 A HA 0.079 4.399 4.320 -0.000 0.000 0.215 160 A C 0.830 178.358 177.584 -0.095 0.000 1.152 160 A CA 0.196 52.200 52.037 -0.055 0.000 0.716 160 A CB -0.249 18.726 19.000 -0.042 0.000 0.794 160 A HN 0.257 nan 8.150 nan 0.000 0.465 161 I N 2.486 122.985 120.570 -0.119 0.000 2.578 161 I HA 0.049 4.219 4.170 -0.000 0.000 0.286 161 I C 0.999 177.031 176.117 -0.143 0.000 1.126 161 I CA 0.065 61.264 61.300 -0.167 0.000 1.380 161 I CB 0.271 38.140 38.000 -0.218 0.000 1.408 161 I HN 0.342 nan 8.210 nan 0.000 0.532 162 T N 3.405 117.889 114.554 -0.116 0.000 2.922 162 T HA 0.447 4.797 4.350 -0.000 0.000 0.281 162 T C -2.073 172.599 174.700 -0.048 0.000 1.005 162 T CA -1.892 60.164 62.100 -0.075 0.000 0.982 162 T CB 1.711 70.541 68.868 -0.063 0.000 1.158 162 T HN 0.224 nan 8.240 nan 0.000 0.566 163 P HA 0.263 nan 4.420 nan 0.000 0.241 163 P C 1.079 178.381 177.300 0.004 0.000 1.191 163 P CA 0.228 63.332 63.100 0.007 0.000 0.771 163 P CB 0.133 31.837 31.700 0.008 0.000 0.929 164 R N -1.616 118.872 120.500 -0.020 0.000 2.128 164 R HA 0.120 4.460 4.340 -0.000 0.000 0.211 164 R C 0.603 176.879 176.300 -0.040 0.000 1.067 164 R CA 0.395 56.480 56.100 -0.026 0.000 1.010 164 R CB -0.875 29.401 30.300 -0.039 0.000 0.922 164 R HN -0.040 nan 8.270 nan 0.000 0.457 165 T N 1.953 116.460 114.554 -0.079 0.000 2.609 165 T HA -0.104 4.246 4.350 -0.000 0.000 0.257 165 T C 0.907 175.542 174.700 -0.108 0.000 1.032 165 T CA 0.876 62.879 62.100 -0.162 0.000 1.244 165 T CB 0.271 68.968 68.868 -0.285 0.000 1.003 165 T HN 0.120 nan 8.240 nan 0.000 0.507 166 K N 2.795 123.154 120.400 -0.069 0.000 2.287 166 K HA 0.487 4.806 4.320 -0.000 0.000 0.199 166 K C 0.467 177.154 176.600 0.145 0.000 1.061 166 K CA 0.473 56.802 56.287 0.071 0.000 0.976 166 K CB 0.595 33.151 32.500 0.093 0.000 0.898 166 K HN 0.622 nan 8.250 nan 0.000 0.492 167 A N 0.301 123.130 122.820 0.014 0.000 2.556 167 A HA 0.669 4.989 4.320 -0.000 0.000 0.294 167 A C -2.025 175.528 177.584 -0.051 0.000 1.091 167 A CA -0.742 51.363 52.037 0.114 0.000 0.704 167 A CB 1.333 20.491 19.000 0.263 0.000 1.300 167 A HN 0.172 nan 8.150 nan 0.000 0.406 168 L N 1.279 122.554 121.223 0.086 0.000 2.409 168 L HA 0.745 5.085 4.340 -0.000 0.000 0.272 168 L C -1.402 175.541 176.870 0.122 0.000 0.980 168 L CA -0.368 54.503 54.840 0.052 0.000 0.826 168 L CB 2.092 44.225 42.059 0.123 0.000 1.268 168 L HN 0.456 nan 8.230 nan 0.000 0.407 169 V N 5.788 125.732 119.914 0.050 0.000 2.333 169 V HA 0.577 4.697 4.120 -0.000 0.000 0.274 169 V C 0.078 176.174 176.094 0.003 0.000 1.028 169 V CA -0.434 61.861 62.300 -0.007 0.000 0.851 169 V CB 1.078 32.788 31.823 -0.188 0.000 1.000 169 V HN 0.680 nan 8.190 nan 0.000 0.456 170 V N 2.331 122.285 119.914 0.067 0.000 2.667 170 V HA 0.664 4.784 4.120 -0.000 0.000 0.308 170 V C -0.350 175.792 176.094 0.080 0.000 1.048 170 V CA -0.552 61.830 62.300 0.138 0.000 0.928 170 V CB 1.897 33.849 31.823 0.215 0.000 1.004 170 V HN 0.919 nan 8.190 nan 0.000 0.444 171 N N 2.667 121.390 118.700 0.038 0.000 2.648 171 N HA 0.375 5.115 4.740 -0.000 0.000 0.261 171 N C -1.323 174.038 175.510 -0.248 0.000 1.138 171 N CA -0.092 52.960 53.050 0.003 0.000 0.804 171 N CB 1.248 39.838 38.487 0.172 0.000 1.237 171 N HN 0.925 nan 8.380 nan 0.000 0.532 172 S N 3.735 119.303 115.700 -0.220 0.000 2.659 172 S HA 0.520 4.990 4.470 -0.000 0.000 0.312 172 S C -2.676 171.954 174.600 0.050 0.000 1.114 172 S CA -1.261 56.768 58.200 -0.285 0.000 1.063 172 S CB 1.284 64.235 63.200 -0.416 0.000 0.996 172 S HN 0.322 nan 8.310 nan 0.000 0.478 173 P HA 0.129 nan 4.420 nan 0.000 0.270 173 P C -0.862 176.340 177.300 -0.163 0.000 1.221 173 P CA -0.133 62.910 63.100 -0.094 0.000 0.788 173 P CB 0.381 32.017 31.700 -0.108 0.000 0.904 174 N N 1.696 120.274 118.700 -0.204 0.000 2.362 174 N HA 0.210 4.950 4.740 -0.000 0.000 0.298 174 N C -1.163 174.234 175.510 -0.188 0.000 1.048 174 N CA -0.500 52.456 53.050 -0.158 0.000 0.858 174 N CB 0.197 38.628 38.487 -0.094 0.000 1.218 174 N HN 0.210 nan 8.380 nan 0.000 0.488 175 N N 3.215 121.840 118.700 -0.124 0.000 2.372 175 N HA 0.454 5.194 4.740 -0.000 0.000 0.291 175 N C -2.349 173.149 175.510 -0.021 0.000 1.024 175 N CA -1.991 50.933 53.050 -0.212 0.000 0.873 175 N CB 2.154 40.500 38.487 -0.236 0.000 1.206 175 N HN 0.400 nan 8.380 nan 0.000 0.486 176 P HA 0.132 nan 4.420 nan 0.000 0.268 176 P C 0.603 177.750 177.300 -0.256 0.000 1.329 176 P CA 0.261 63.159 63.100 -0.338 0.000 0.899 176 P CB 0.209 31.572 31.700 -0.561 0.000 1.378 177 T N -4.883 109.514 114.554 -0.261 0.000 3.054 177 T HA 0.228 4.578 4.350 -0.000 0.000 0.259 177 T C 1.671 176.328 174.700 -0.072 0.000 1.092 177 T CA 1.091 63.013 62.100 -0.296 0.000 1.121 177 T CB -0.986 67.531 68.868 -0.585 0.000 0.912 177 T HN 0.164 nan 8.240 nan 0.000 0.489 178 G N 1.460 110.238 108.800 -0.036 0.000 2.179 178 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.260 178 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.260 178 G C 0.295 175.229 174.900 0.056 0.000 0.977 178 G CA 0.002 45.112 45.100 0.017 0.000 0.641 178 G HN 1.253 nan 8.290 nan 0.000 0.533 179 A N 0.009 122.884 122.820 0.091 0.000 2.492 179 A HA 0.596 4.916 4.320 -0.000 0.000 0.254 179 A C 0.516 178.180 177.584 0.133 0.000 1.091 179 A CA 0.436 52.591 52.037 0.196 0.000 0.768 179 A CB 0.807 20.038 19.000 0.385 0.000 1.028 179 A HN 1.148 nan 8.150 nan 0.000 0.498 180 V N 5.140 125.153 119.914 0.165 0.000 2.318 180 V HA 0.125 4.245 4.120 -0.000 0.000 0.271 180 V C -0.223 176.038 176.094 0.278 0.000 1.030 180 V CA -0.295 62.077 62.300 0.120 0.000 0.844 180 V CB -0.309 31.569 31.823 0.091 0.000 1.015 180 V HN 0.770 nan 8.190 nan 0.000 0.460 181 Y N 6.673 127.008 120.300 0.058 0.000 2.632 181 Y HA 0.141 4.692 4.550 0.001 0.000 0.329 181 Y C -1.489 174.427 175.900 0.026 0.000 1.174 181 Y CA -1.967 56.163 58.100 0.049 0.000 1.469 181 Y CB 0.822 39.318 38.460 0.059 0.000 1.242 181 Y HN 0.428 nan 8.280 nan 0.000 0.540 182 P HA 0.023 nan 4.420 nan 0.000 0.279 182 P C 0.319 177.612 177.300 -0.012 0.000 1.239 182 P CA -0.371 62.762 63.100 0.055 0.000 0.789 182 P CB 1.542 33.255 31.700 0.021 0.000 0.933 183 K N 2.416 122.750 120.400 -0.110 0.000 2.137 183 K HA -0.285 4.034 4.320 -0.000 0.000 0.216 183 K C 1.320 177.689 176.600 -0.385 0.000 1.052 183 K CA 2.550 58.593 56.287 -0.406 0.000 0.939 183 K CB -0.117 32.080 32.500 -0.505 0.000 0.724 183 K HN 0.406 nan 8.250 nan 0.000 0.465 184 E N -0.141 119.929 120.200 -0.217 0.000 2.150 184 E HA -0.110 4.239 4.350 -0.000 0.000 0.193 184 E C 1.949 178.502 176.600 -0.078 0.000 0.985 184 E CA 1.213 57.523 56.400 -0.150 0.000 0.814 184 E CB -0.002 29.634 29.700 -0.105 0.000 0.752 184 E HN 0.179 nan 8.360 nan 0.000 0.466 185 V N 0.599 120.485 119.914 -0.046 0.000 2.323 185 V HA -0.183 3.937 4.120 -0.000 0.000 0.244 185 V C 2.049 178.165 176.094 0.035 0.000 1.041 185 V CA 1.005 63.293 62.300 -0.020 0.000 1.025 185 V CB -0.454 31.339 31.823 -0.051 0.000 0.656 185 V HN 0.196 nan 8.190 nan 0.000 0.451 186 L N 0.239 121.515 121.223 0.089 0.000 2.042 186 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 186 L C 2.467 179.447 176.870 0.182 0.000 1.076 186 L CA 1.932 56.888 54.840 0.192 0.000 0.749 186 L CB -1.067 41.183 42.059 0.319 0.000 0.893 186 L HN 0.464 nan 8.230 nan 0.000 0.432 187 E N -1.396 118.856 120.200 0.087 0.000 2.274 187 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 187 E C 2.105 178.727 176.600 0.037 0.000 0.996 187 E CA 0.750 57.194 56.400 0.074 0.000 0.840 187 E CB 0.171 29.809 29.700 -0.104 0.000 0.772 187 E HN 0.488 nan 8.360 nan 0.000 0.491 188 A N 0.560 123.392 122.820 0.021 0.000 1.855 188 A HA -0.092 4.228 4.320 -0.000 0.000 0.213 188 A C 1.909 179.515 177.584 0.036 0.000 1.195 188 A CA 0.587 52.632 52.037 0.013 0.000 0.610 188 A CB -0.392 18.610 19.000 0.004 0.000 0.837 188 A HN 0.209 nan 8.150 nan 0.000 0.444 189 L N 0.091 121.355 121.223 0.069 0.000 2.081 189 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 189 L C 2.938 179.857 176.870 0.082 0.000 1.080 189 L CA 1.897 56.801 54.840 0.107 0.000 0.754 189 L CB -1.717 40.427 42.059 0.141 0.000 0.893 189 L HN 0.442 nan 8.230 nan 0.000 0.433 190 A N -0.351 122.505 122.820 0.059 0.000 1.877 190 A HA -0.213 4.107 4.320 -0.000 0.000 0.216 190 A C 2.449 179.965 177.584 -0.113 0.000 1.186 190 A CA 1.509 53.546 52.037 0.001 0.000 0.620 190 A CB -0.453 18.576 19.000 0.048 0.000 0.822 190 A HN 0.376 nan 8.150 nan 0.000 0.443 191 R N -0.709 119.741 120.500 -0.084 0.000 2.237 191 R HA 0.033 4.372 4.340 -0.000 0.000 0.219 191 R C 1.640 177.828 176.300 -0.187 0.000 1.080 191 R CA 0.516 56.531 56.100 -0.142 0.000 0.995 191 R CB -0.221 30.027 30.300 -0.086 0.000 0.875 191 R HN 0.338 nan 8.270 nan 0.000 0.462 192 L N 0.112 121.270 121.223 -0.108 0.000 2.072 192 L HA -0.018 4.322 4.340 -0.000 0.000 0.205 192 L C 2.414 179.058 176.870 -0.376 0.000 1.079 192 L CA 1.699 56.527 54.840 -0.019 0.000 0.752 192 L CB -1.354 40.840 42.059 0.225 0.000 0.906 192 L HN 0.159 nan 8.230 nan 0.000 0.436 193 A N -0.600 121.817 122.820 -0.671 0.000 1.902 193 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 193 A C 2.407 179.355 177.584 -1.060 0.000 1.181 193 A CA 1.834 53.002 52.037 -1.449 0.000 0.623 193 A CB -0.665 17.924 19.000 -0.684 0.000 0.818 193 A HN 0.231 nan 8.150 nan 0.000 0.443 194 V N -0.220 119.202 119.914 -0.821 0.000 2.307 194 V HA -0.224 3.896 4.120 -0.000 0.000 0.245 194 V C 2.478 178.281 176.094 -0.485 0.000 1.045 194 V CA 2.111 63.915 62.300 -0.827 0.000 1.024 194 V CB -0.715 30.786 31.823 -0.537 0.000 0.651 194 V HN 0.713 nan 8.190 nan 0.000 0.449 195 E N -0.355 119.572 120.200 -0.454 0.000 2.110 195 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 195 E C 1.620 177.866 176.600 -0.590 0.000 0.988 195 E CA 1.435 57.542 56.400 -0.489 0.000 0.804 195 E CB 0.015 29.379 29.700 -0.560 0.000 0.745 195 E HN 0.814 nan 8.360 nan 0.000 0.458 196 H N -0.833 118.136 119.070 -0.168 0.000 2.592 196 H HA 0.173 4.729 4.556 -0.000 0.000 0.279 196 H C -0.793 174.546 175.328 0.017 0.000 1.089 196 H CA 0.144 56.188 56.048 -0.006 0.000 1.150 196 H CB 0.639 30.522 29.762 0.201 0.000 1.575 196 H HN 0.080 nan 8.280 nan 0.000 0.547 197 D N 0.737 121.085 120.400 -0.087 0.000 3.357 197 D HA -0.190 4.450 4.640 -0.000 0.000 0.238 197 D C -1.069 175.293 176.300 0.103 0.000 1.126 197 D CA 0.905 54.912 54.000 0.010 0.000 0.984 197 D CB -0.873 39.954 40.800 0.046 0.000 0.925 197 D HN 0.486 nan 8.370 nan 0.000 0.414 198 F N -0.962 119.044 119.950 0.093 0.000 2.686 198 F HA 0.595 5.122 4.527 -0.000 0.000 0.311 198 F C -0.968 174.860 175.800 0.046 0.000 1.128 198 F CA -1.563 56.438 58.000 0.002 0.000 0.946 198 F CB 0.915 39.950 39.000 0.058 0.000 1.336 198 F HN -0.123 nan 8.300 nan 0.000 0.457 199 Y N 1.879 122.449 120.300 0.451 0.000 2.346 199 Y HA 0.457 5.007 4.550 0.000 0.000 0.330 199 Y C -0.019 176.105 175.900 0.373 0.000 1.178 199 Y CA -0.597 57.690 58.100 0.312 0.000 1.331 199 Y CB 1.222 39.802 38.460 0.201 0.000 1.253 199 Y HN 0.608 nan 8.280 nan 0.000 0.529 200 L N 4.465 125.943 121.223 0.424 0.000 2.316 200 L HA 0.523 4.863 4.340 -0.000 0.000 0.280 200 L C -1.375 175.621 176.870 0.211 0.000 1.006 200 L CA -0.803 54.223 54.840 0.310 0.000 0.836 200 L CB 0.626 42.815 42.059 0.217 0.000 1.221 200 L HN 0.412 nan 8.230 nan 0.000 0.418 201 V N 3.523 123.543 119.914 0.177 0.000 2.465 201 V HA 0.317 4.437 4.120 -0.000 0.000 0.279 201 V C 0.307 176.448 176.094 0.080 0.000 1.045 201 V CA -0.216 62.136 62.300 0.086 0.000 0.938 201 V CB 1.474 33.331 31.823 0.056 0.000 0.986 201 V HN 0.786 nan 8.190 nan 0.000 0.467 202 S N 2.587 118.319 115.700 0.054 0.000 2.733 202 S HA 0.251 4.721 4.470 -0.000 0.000 0.307 202 S C -0.415 174.227 174.600 0.070 0.000 1.127 202 S CA -0.668 57.571 58.200 0.065 0.000 1.097 202 S CB 0.740 63.971 63.200 0.052 0.000 1.003 202 S HN 0.818 nan 8.310 nan 0.000 0.477 203 D N 4.114 124.578 120.400 0.106 0.000 2.713 203 D HA 0.066 4.706 4.640 -0.000 0.000 0.229 203 D C 0.644 177.013 176.300 0.114 0.000 1.136 203 D CA -0.348 53.733 54.000 0.134 0.000 1.010 203 D CB 0.198 41.166 40.800 0.281 0.000 1.084 203 D HN 0.788 nan 8.370 nan 0.000 0.495 204 E N 1.525 121.788 120.200 0.104 0.000 2.594 204 E HA 0.016 4.366 4.350 -0.000 0.000 0.300 204 E C 1.316 177.911 176.600 -0.009 0.000 1.568 204 E CA -0.232 56.242 56.400 0.124 0.000 1.811 204 E CB -0.000 29.862 29.700 0.271 0.000 1.458 204 E HN 0.466 nan 8.360 nan 0.000 0.470 205 I N -0.137 120.375 120.570 -0.098 0.000 3.111 205 I HA -0.150 4.020 4.170 -0.000 0.000 0.272 205 I C 0.328 176.165 176.117 -0.467 0.000 1.268 205 I CA 0.490 61.599 61.300 -0.317 0.000 1.467 205 I CB 0.256 37.976 38.000 -0.466 0.000 1.087 205 I HN 0.253 nan 8.210 nan 0.000 0.467 206 Y N 0.486 120.670 120.300 -0.193 0.000 2.607 206 Y HA 0.098 4.648 4.550 0.000 0.000 0.266 206 Y C 2.007 177.749 175.900 -0.264 0.000 1.178 206 Y CA -0.098 57.845 58.100 -0.263 0.000 1.226 206 Y CB -0.290 37.989 38.460 -0.303 0.000 1.144 206 Y HN 0.256 nan 8.280 nan 0.000 0.528 207 E N -0.003 120.066 120.200 -0.218 0.000 2.208 207 E HA -0.322 4.028 4.350 -0.000 0.000 0.202 207 E C 0.682 177.000 176.600 -0.469 0.000 1.014 207 E CA 2.161 58.220 56.400 -0.569 0.000 0.819 207 E CB -0.248 28.900 29.700 -0.920 0.000 0.735 207 E HN 0.618 nan 8.360 nan 0.000 0.469 208 H N -0.257 118.665 119.070 -0.246 0.000 2.544 208 H HA 0.248 4.805 4.556 0.002 0.000 0.269 208 H C 0.459 175.684 175.328 -0.171 0.000 0.970 208 H CA 0.503 56.439 56.048 -0.187 0.000 1.219 208 H CB 0.353 30.002 29.762 -0.189 0.000 1.421 208 H HN 0.091 nan 8.280 nan 0.000 0.555 209 L N 1.690 122.831 121.223 -0.136 0.000 2.648 209 L HA 0.206 4.546 4.340 -0.000 0.000 0.238 209 L C -0.741 175.771 176.870 -0.598 0.000 1.316 209 L CA -0.109 54.553 54.840 -0.295 0.000 1.241 209 L CB 0.155 42.043 42.059 -0.285 0.000 1.499 209 L HN 0.158 nan 8.230 nan 0.000 0.411 210 L N 0.106 121.042 121.223 -0.478 0.000 2.337 210 L HA 0.273 4.613 4.340 -0.000 0.000 0.269 210 L C 0.515 177.207 176.870 -0.297 0.000 1.018 210 L CA -0.372 54.239 54.840 -0.382 0.000 0.876 210 L CB 0.877 42.842 42.059 -0.155 0.000 1.236 210 L HN 0.245 nan 8.230 nan 0.000 0.436 211 Y N 1.934 122.279 120.300 0.075 0.000 2.220 211 Y HA -0.028 4.522 4.550 -0.001 0.000 0.291 211 Y C 0.721 176.655 175.900 0.057 0.000 1.129 211 Y CA 0.173 58.317 58.100 0.073 0.000 1.161 211 Y CB 0.273 38.782 38.460 0.082 0.000 0.997 211 Y HN 0.448 nan 8.280 nan 0.000 0.522 212 E N 0.096 120.400 120.200 0.173 0.000 2.294 212 E HA 0.551 4.901 4.350 -0.000 0.000 0.272 212 E C -0.367 176.286 176.600 0.087 0.000 0.896 212 E CA -0.315 56.156 56.400 0.119 0.000 0.802 212 E CB 1.780 31.553 29.700 0.122 0.000 1.267 212 E HN 0.255 nan 8.360 nan 0.000 0.406 213 G N 2.798 111.640 108.800 0.069 0.000 2.347 213 G HA2 0.119 4.079 3.960 -0.000 0.000 0.341 213 G HA3 0.119 4.079 3.960 -0.000 0.000 0.341 213 G C -1.537 173.400 174.900 0.062 0.000 1.287 213 G CA -0.373 44.765 45.100 0.064 0.000 0.984 213 G HN 0.801 nan 8.290 nan 0.000 0.526 214 E N -1.324 118.917 120.200 0.068 0.000 2.227 214 E HA 0.655 5.005 4.350 -0.000 0.000 0.268 214 E C -0.801 175.867 176.600 0.114 0.000 0.907 214 E CA -1.055 55.396 56.400 0.084 0.000 0.786 214 E CB 2.044 31.790 29.700 0.077 0.000 1.191 214 E HN 0.715 nan 8.360 nan 0.000 0.411 215 H N 2.298 121.397 119.070 0.048 0.000 2.640 215 H HA 0.313 4.869 4.556 0.001 0.000 0.297 215 H C -1.793 173.616 175.328 0.136 0.000 1.073 215 H CA -0.731 55.352 56.048 0.059 0.000 1.305 215 H CB 0.412 30.156 29.762 -0.030 0.000 1.404 215 H HN 0.477 nan 8.280 nan 0.000 0.459 216 F N 3.794 123.503 119.950 -0.401 0.000 2.436 216 F HA 0.407 4.934 4.527 0.000 0.000 0.340 216 F C -0.522 175.118 175.800 -0.267 0.000 1.113 216 F CA -0.607 57.266 58.000 -0.211 0.000 1.022 216 F CB 1.296 40.230 39.000 -0.109 0.000 1.128 216 F HN 0.421 nan 8.300 nan 0.000 0.466 217 S N 8.449 123.700 115.700 -0.748 0.000 2.410 217 S HA 0.228 4.697 4.470 -0.000 0.000 0.304 217 S C -1.715 172.430 174.600 -0.757 0.000 1.095 217 S CA -1.064 56.859 58.200 -0.461 0.000 1.089 217 S CB 1.220 64.294 63.200 -0.209 0.000 0.968 217 S HN 0.558 nan 8.310 nan 0.000 0.480 218 P HA -0.102 nan 4.420 nan 0.000 0.221 218 P C 1.462 178.694 177.300 -0.113 0.000 1.145 218 P CA 0.875 63.910 63.100 -0.109 0.000 0.795 218 P CB -0.083 31.658 31.700 0.068 0.000 0.775 219 G N 0.365 109.078 108.800 -0.144 0.000 2.470 219 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.220 219 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.220 219 G C 1.746 176.595 174.900 -0.085 0.000 1.121 219 G CA 0.277 45.325 45.100 -0.088 0.000 0.766 219 G HN 0.249 nan 8.290 nan 0.000 0.553 220 R N -0.429 119.973 120.500 -0.163 0.000 2.096 220 R HA 0.026 4.366 4.340 -0.000 0.000 0.235 220 R C 2.590 178.893 176.300 0.005 0.000 1.127 220 R CA 1.014 57.061 56.100 -0.089 0.000 0.968 220 R CB -0.375 29.837 30.300 -0.147 0.000 0.861 220 R HN 0.317 nan 8.270 nan 0.000 0.440 221 V N 0.201 120.140 119.914 0.041 0.000 2.256 221 V HA -0.011 4.109 4.120 -0.000 0.000 0.240 221 V C 1.049 177.165 176.094 0.036 0.000 1.036 221 V CA 1.540 63.889 62.300 0.083 0.000 1.008 221 V CB -0.342 31.575 31.823 0.157 0.000 0.648 221 V HN 0.326 nan 8.190 nan 0.000 0.453 222 A N 1.415 124.250 122.820 0.025 0.000 2.838 222 A HA 0.486 4.806 4.320 -0.000 0.000 0.337 222 A C -1.298 176.334 177.584 0.080 0.000 1.383 222 A CA -1.109 50.943 52.037 0.026 0.000 0.985 222 A CB 0.177 19.144 19.000 -0.055 0.000 1.157 222 A HN 0.387 nan 8.150 nan 0.000 0.497 223 P HA -0.113 nan 4.420 nan 0.000 0.229 223 P C 0.551 177.894 177.300 0.071 0.000 1.160 223 P CA 1.061 64.192 63.100 0.051 0.000 0.777 223 P CB 0.416 32.133 31.700 0.029 0.000 0.814 224 E N -1.323 118.950 120.200 0.121 0.000 2.400 224 E HA -0.040 4.310 4.350 -0.000 0.000 0.195 224 E C 1.006 177.583 176.600 -0.039 0.000 1.012 224 E CA 0.453 56.868 56.400 0.025 0.000 0.875 224 E CB -0.147 29.514 29.700 -0.066 0.000 0.859 224 E HN 0.499 nan 8.360 nan 0.000 0.498 225 H N -0.796 118.292 119.070 0.030 0.000 2.885 225 H HA 0.176 4.732 4.556 -0.000 0.000 0.260 225 H C 0.105 175.536 175.328 0.172 0.000 0.985 225 H CA 0.178 56.266 56.048 0.067 0.000 1.210 225 H CB 0.580 30.299 29.762 -0.071 0.000 1.466 225 H HN -0.139 nan 8.280 nan 0.000 0.493 226 T N 1.593 116.278 114.554 0.219 0.000 2.869 226 T HA 0.364 4.714 4.350 -0.000 0.000 0.295 226 T C -0.138 174.607 174.700 0.076 0.000 0.987 226 T CA -0.360 61.821 62.100 0.135 0.000 1.109 226 T CB 1.168 70.073 68.868 0.061 0.000 0.932 226 T HN 0.089 nan 8.240 nan 0.000 0.518 227 L N 3.402 124.652 121.223 0.046 0.000 2.417 227 L HA 0.307 4.647 4.340 -0.000 0.000 0.259 227 L C 0.011 176.840 176.870 -0.069 0.000 1.023 227 L CA -0.401 54.418 54.840 -0.035 0.000 0.901 227 L CB 0.881 42.907 42.059 -0.055 0.000 1.227 227 L HN 0.651 nan 8.230 nan 0.000 0.454 228 T N 2.551 117.022 114.554 -0.138 0.000 2.888 228 T HA 0.262 4.612 4.350 -0.000 0.000 0.301 228 T C -0.066 174.545 174.700 -0.148 0.000 1.001 228 T CA -0.035 61.964 62.100 -0.168 0.000 1.147 228 T CB 1.004 69.668 68.868 -0.340 0.000 0.931 228 T HN 0.211 nan 8.240 nan 0.000 0.541 229 V N 5.505 125.393 119.914 -0.043 0.000 2.340 229 V HA 0.326 4.446 4.120 -0.000 0.000 0.277 229 V C 0.292 176.398 176.094 0.021 0.000 1.017 229 V CA -0.954 61.342 62.300 -0.007 0.000 0.820 229 V CB 0.991 32.807 31.823 -0.012 0.000 1.028 229 V HN 0.771 nan 8.190 nan 0.000 0.436 230 N N 2.130 120.877 118.700 0.078 0.000 2.681 230 N HA 0.805 5.545 4.740 -0.000 0.000 0.311 230 N C -0.011 175.239 175.510 -0.433 0.000 1.303 230 N CA 0.247 53.268 53.050 -0.049 0.000 0.926 230 N CB 2.277 40.908 38.487 0.241 0.000 1.136 230 N HN 0.758 nan 8.380 nan 0.000 0.592 231 G N -1.762 106.601 108.800 -0.728 0.000 2.658 231 G HA2 0.469 4.428 3.960 -0.000 0.000 0.301 231 G HA3 0.469 4.428 3.960 -0.000 0.000 0.301 231 G C -0.899 173.663 174.900 -0.562 0.000 1.481 231 G CA -0.072 44.533 45.100 -0.824 0.000 0.931 231 G HN 0.533 nan 8.290 nan 0.000 0.573 232 A N 0.563 123.199 122.820 -0.307 0.000 2.359 232 A HA 0.601 4.921 4.320 -0.000 0.000 0.240 232 A C 1.904 179.554 177.584 0.111 0.000 1.306 232 A CA 1.337 53.493 52.037 0.198 0.000 0.898 232 A CB -0.210 19.083 19.000 0.487 0.000 0.956 232 A HN 1.714 nan 8.150 nan 0.000 0.497 233 A N -0.532 122.261 122.820 -0.045 0.000 2.147 233 A HA 0.148 4.468 4.320 -0.000 0.000 0.211 233 A C 1.984 179.568 177.584 -0.001 0.000 1.160 233 A CA 0.721 52.755 52.037 -0.005 0.000 0.781 233 A CB 0.062 19.041 19.000 -0.035 0.000 0.842 233 A HN 0.281 nan 8.150 nan 0.000 0.475 234 K N -0.693 119.645 120.400 -0.104 0.000 2.286 234 K HA 0.317 4.637 4.320 -0.000 0.000 0.203 234 K C 2.168 178.750 176.600 -0.030 0.000 1.078 234 K CA 1.043 57.301 56.287 -0.048 0.000 0.957 234 K CB -0.810 31.525 32.500 -0.274 0.000 1.018 234 K HN 0.278 nan 8.250 nan 0.000 0.484 235 A N 0.897 123.538 122.820 -0.298 0.000 1.933 235 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 235 A C 1.296 178.590 177.584 -0.484 0.000 1.175 235 A CA 1.278 52.970 52.037 -0.576 0.000 0.628 235 A CB -0.580 17.683 19.000 -1.229 0.000 0.814 235 A HN 0.261 nan 8.150 nan 0.000 0.444 236 F N -1.749 118.272 119.950 0.118 0.000 2.708 236 F HA 0.532 5.060 4.527 0.002 0.000 0.300 236 F C 1.305 177.091 175.800 -0.024 0.000 1.118 236 F CA 0.206 58.213 58.000 0.011 0.000 1.307 236 F CB 0.095 38.982 39.000 -0.188 0.000 0.986 236 F HN 0.261 nan 8.300 nan 0.000 0.522 237 A N 0.443 123.437 122.820 0.290 0.000 2.798 237 A HA -0.304 4.016 4.320 -0.000 0.000 0.282 237 A C 0.790 178.506 177.584 0.220 0.000 1.464 237 A CA 1.200 53.413 52.037 0.293 0.000 0.844 237 A CB -2.275 16.948 19.000 0.372 0.000 1.006 237 A HN 0.535 nan 8.150 nan 0.000 0.577 238 M N 0.566 120.261 119.600 0.159 0.000 3.242 238 M HA 0.081 4.561 4.480 -0.000 0.000 0.250 238 M C 1.575 178.077 176.300 0.337 0.000 1.239 238 M CA 0.593 56.007 55.300 0.189 0.000 1.205 238 M CB -0.292 32.203 32.600 -0.174 0.000 1.189 238 M HN 0.560 nan 8.290 nan 0.000 0.531 239 T N -2.811 111.913 114.554 0.283 0.000 2.857 239 T HA -0.054 4.296 4.350 -0.000 0.000 0.266 239 T C 1.917 176.727 174.700 0.185 0.000 1.048 239 T CA 1.443 63.655 62.100 0.188 0.000 1.139 239 T CB -0.417 68.531 68.868 0.133 0.000 0.874 239 T HN 0.618 nan 8.240 nan 0.000 0.455 240 G N -0.270 108.653 108.800 0.205 0.000 2.650 240 G HA2 0.022 3.982 3.960 -0.000 0.000 0.214 240 G HA3 0.022 3.982 3.960 -0.000 0.000 0.214 240 G C 0.910 175.791 174.900 -0.031 0.000 1.136 240 G CA -0.193 44.928 45.100 0.035 0.000 0.789 240 G HN 0.581 nan 8.290 nan 0.000 0.536 241 W N 0.050 121.361 121.300 0.018 0.000 2.584 241 W HA 0.261 4.913 4.660 -0.014 0.000 0.264 241 W C 0.754 177.281 176.519 0.013 0.000 1.264 241 W CA -0.227 57.128 57.345 0.016 0.000 1.306 241 W CB 0.276 29.747 29.460 0.019 0.000 1.110 241 W HN -0.035 nan 8.180 nan 0.000 0.606 242 R N 0.140 120.764 120.500 0.206 0.000 3.205 242 R HA -0.180 4.160 4.340 -0.000 0.000 0.249 242 R C -0.831 175.537 176.300 0.113 0.000 0.937 242 R CA 0.634 56.802 56.100 0.113 0.000 0.641 242 R CB -3.023 27.314 30.300 0.062 0.000 1.114 242 R HN 0.142 nan 8.270 nan 0.000 0.451 243 I N -0.286 120.358 120.570 0.124 0.000 2.465 243 I HA 0.634 4.804 4.170 -0.000 0.000 0.291 243 I C 1.069 177.211 176.117 0.042 0.000 1.014 243 I CA -0.371 60.997 61.300 0.114 0.000 1.093 243 I CB 2.098 40.193 38.000 0.158 0.000 1.267 243 I HN 0.321 nan 8.210 nan 0.000 0.431 244 G N 5.548 114.365 108.800 0.028 0.000 2.680 244 G HA2 0.798 4.757 3.960 -0.000 0.000 0.290 244 G HA3 0.798 4.757 3.960 -0.000 0.000 0.290 244 G C -1.975 172.945 174.900 0.033 0.000 1.355 244 G CA -0.426 44.588 45.100 -0.144 0.000 0.903 244 G HN 0.503 nan 8.290 nan 0.000 0.474 245 Y N -2.335 118.010 120.300 0.075 0.000 2.638 245 Y HA 0.868 5.418 4.550 -0.002 0.000 0.335 245 Y C -0.026 175.988 175.900 0.190 0.000 1.155 245 Y CA -1.221 56.954 58.100 0.125 0.000 1.046 245 Y CB 1.485 40.022 38.460 0.128 0.000 1.303 245 Y HN 1.106 nan 8.280 nan 0.000 0.460 246 A N 0.202 123.239 122.820 0.361 0.000 2.564 246 A HA 0.897 5.217 4.320 -0.000 0.000 0.291 246 A C -1.144 176.441 177.584 0.001 0.000 1.102 246 A CA -0.301 51.814 52.037 0.131 0.000 0.660 246 A CB 1.021 20.034 19.000 0.021 0.000 1.283 246 A HN 1.948 nan 8.150 nan 0.000 0.430 247 C N -1.696 117.462 119.300 -0.236 0.000 3.306 247 C HA 1.050 5.510 4.460 -0.000 0.000 0.335 247 C C 0.259 175.123 174.990 -0.210 0.000 1.382 247 C CA 0.402 59.279 59.018 -0.235 0.000 1.254 247 C CB 1.067 28.564 27.740 -0.404 0.000 1.555 247 C HN 2.949 nan 8.230 nan 0.000 0.463 248 G N 0.284 109.005 108.800 -0.131 0.000 2.368 248 G HA2 0.532 4.492 3.960 -0.000 0.000 0.269 248 G HA3 0.532 4.492 3.960 -0.000 0.000 0.269 248 G C -3.566 171.310 174.900 -0.040 0.000 1.291 248 G CA -0.512 44.538 45.100 -0.083 0.000 0.903 248 G HN 0.660 nan 8.290 nan 0.000 0.483 249 P HA 0.174 nan 4.420 nan 0.000 0.262 249 P C 0.833 178.130 177.300 -0.005 0.000 1.199 249 P CA 0.158 63.262 63.100 0.007 0.000 0.763 249 P CB 1.063 32.792 31.700 0.049 0.000 0.790 250 K N 3.490 123.888 120.400 -0.003 0.000 2.052 250 K HA -0.315 4.005 4.320 -0.000 0.000 0.215 250 K C 1.737 178.335 176.600 -0.003 0.000 1.053 250 K CA 1.668 57.953 56.287 -0.003 0.000 0.934 250 K CB -0.190 32.310 32.500 0.001 0.000 0.717 250 K HN 0.444 nan 8.250 nan 0.000 0.450 251 E N 0.120 120.322 120.200 0.005 0.000 2.086 251 E HA -0.221 4.129 4.350 -0.000 0.000 0.205 251 E C 1.854 178.453 176.600 -0.002 0.000 1.027 251 E CA 1.974 58.379 56.400 0.010 0.000 0.830 251 E CB -0.118 29.599 29.700 0.028 0.000 0.751 251 E HN 0.215 nan 8.360 nan 0.000 0.456 252 V N 0.526 120.429 119.914 -0.018 0.000 3.129 252 V HA -0.143 3.977 4.120 -0.000 0.000 0.259 252 V C 2.244 178.297 176.094 -0.068 0.000 1.116 252 V CA 0.581 62.837 62.300 -0.072 0.000 1.127 252 V CB -0.183 31.535 31.823 -0.176 0.000 0.742 252 V HN 0.129 nan 8.190 nan 0.000 0.474 253 I N 1.267 121.811 120.570 -0.044 0.000 2.286 253 I HA -0.177 3.993 4.170 -0.000 0.000 0.245 253 I C 2.567 178.672 176.117 -0.020 0.000 1.104 253 I CA 1.613 62.893 61.300 -0.033 0.000 1.397 253 I CB -0.310 37.676 38.000 -0.022 0.000 1.072 253 I HN 0.381 nan 8.210 nan 0.000 0.417 254 K N 0.514 120.905 120.400 -0.014 0.000 2.217 254 K HA -0.004 4.316 4.320 -0.000 0.000 0.202 254 K C 1.951 178.546 176.600 -0.009 0.000 1.051 254 K CA 1.322 57.604 56.287 -0.008 0.000 0.952 254 K CB -0.482 32.015 32.500 -0.004 0.000 0.736 254 K HN 0.196 nan 8.250 nan 0.000 0.453 255 A N 1.719 124.529 122.820 -0.016 0.000 1.969 255 A HA -0.005 4.315 4.320 -0.000 0.000 0.218 255 A C 2.168 179.742 177.584 -0.016 0.000 1.169 255 A CA 1.244 53.271 52.037 -0.016 0.000 0.635 255 A CB -0.446 18.540 19.000 -0.024 0.000 0.810 255 A HN 0.329 nan 8.150 nan 0.000 0.445 256 M N -0.882 118.705 119.600 -0.023 0.000 2.349 256 M HA -0.022 4.458 4.480 -0.000 0.000 0.266 256 M C 2.411 178.714 176.300 0.004 0.000 1.076 256 M CA 1.084 56.376 55.300 -0.014 0.000 1.126 256 M CB -0.325 32.258 32.600 -0.028 0.000 1.392 256 M HN 0.477 nan 8.290 nan 0.000 0.440 257 A N -0.360 122.460 122.820 0.001 0.000 1.968 257 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 257 A C 2.300 179.887 177.584 0.005 0.000 1.169 257 A CA 1.588 53.628 52.037 0.004 0.000 0.638 257 A CB -0.465 18.535 19.000 -0.000 0.000 0.812 257 A HN 0.369 nan 8.150 nan 0.000 0.446 258 S N -0.308 115.395 115.700 0.004 0.000 2.338 258 S HA -0.120 4.350 4.470 -0.000 0.000 0.218 258 S C 1.893 176.503 174.600 0.016 0.000 1.032 258 S CA 1.494 59.697 58.200 0.006 0.000 0.999 258 S CB -0.437 62.766 63.200 0.004 0.000 0.905 258 S HN 0.341 nan 8.310 nan 0.000 0.439 259 V N 1.372 121.301 119.914 0.026 0.000 2.594 259 V HA -0.141 3.979 4.120 -0.000 0.000 0.253 259 V C 2.455 178.585 176.094 0.061 0.000 1.069 259 V CA 1.722 64.052 62.300 0.051 0.000 1.082 259 V CB -0.848 31.013 31.823 0.063 0.000 0.680 259 V HN 0.454 nan 8.190 nan 0.000 0.469 260 S N -0.058 115.667 115.700 0.043 0.000 2.356 260 S HA -0.246 4.224 4.470 -0.000 0.000 0.223 260 S C 2.208 176.819 174.600 0.019 0.000 1.032 260 S CA 2.004 60.226 58.200 0.037 0.000 1.005 260 S CB -0.222 62.993 63.200 0.025 0.000 0.867 260 S HN 0.595 nan 8.310 nan 0.000 0.449 261 R N 1.388 121.891 120.500 0.004 0.000 2.062 261 R HA 0.047 4.387 4.340 -0.000 0.000 0.231 261 R C 2.192 178.485 176.300 -0.013 0.000 1.136 261 R CA 1.851 57.941 56.100 -0.018 0.000 0.948 261 R CB -1.169 29.115 30.300 -0.026 0.000 0.845 261 R HN 0.319 nan 8.270 nan 0.000 0.430 262 Q N 0.349 120.154 119.800 0.007 0.000 2.226 262 Q HA -0.084 4.256 4.340 -0.000 0.000 0.204 262 Q C 2.025 178.040 176.000 0.026 0.000 0.975 262 Q CA 1.898 57.710 55.803 0.015 0.000 0.866 262 Q CB -0.203 28.552 28.738 0.029 0.000 0.915 262 Q HN 0.633 nan 8.270 nan 0.000 0.440 263 S N -0.434 115.288 115.700 0.037 0.000 2.371 263 S HA -0.031 4.439 4.470 -0.000 0.000 0.219 263 S C 1.946 176.554 174.600 0.013 0.000 1.040 263 S CA 1.218 59.441 58.200 0.038 0.000 0.958 263 S CB -0.229 63.013 63.200 0.070 0.000 0.860 263 S HN 0.406 nan 8.310 nan 0.000 0.487 264 T N -3.889 110.670 114.554 0.008 0.000 2.975 264 T HA 0.378 4.728 4.350 -0.000 0.000 0.261 264 T C 0.951 175.646 174.700 -0.009 0.000 0.984 264 T CA 0.795 62.897 62.100 0.003 0.000 0.911 264 T CB 0.196 69.068 68.868 0.007 0.000 1.127 264 T HN 0.371 nan 8.240 nan 0.000 0.514 265 T N 0.431 114.967 114.554 -0.031 0.000 13.396 265 T HA -0.192 4.158 4.350 -0.000 0.000 0.416 265 T C 0.150 174.820 174.700 -0.051 0.000 1.466 265 T CA 1.449 63.500 62.100 -0.082 0.000 2.394 265 T CB -1.840 66.927 68.868 -0.167 0.000 2.763 265 T HN 1.080 nan 8.240 nan 0.000 0.539 266 S N 0.977 116.669 115.700 -0.013 0.000 2.622 266 S HA 0.534 5.004 4.470 -0.000 0.000 0.275 266 S C -3.129 171.495 174.600 0.040 0.000 1.112 266 S CA -0.594 57.614 58.200 0.012 0.000 0.837 266 S CB 1.808 65.016 63.200 0.013 0.000 1.082 266 S HN 0.345 nan 8.310 nan 0.000 0.456 267 P HA 0.213 nan 4.420 nan 0.000 0.274 267 P C -0.680 176.662 177.300 0.070 0.000 1.256 267 P CA -0.279 62.852 63.100 0.053 0.000 0.795 267 P CB 0.216 31.947 31.700 0.051 0.000 1.038 268 D N -0.234 120.212 120.400 0.076 0.000 2.601 268 D HA -0.063 4.577 4.640 -0.000 0.000 0.229 268 D C 0.845 177.207 176.300 0.104 0.000 1.140 268 D CA 0.924 54.979 54.000 0.090 0.000 0.862 268 D CB 0.706 41.561 40.800 0.092 0.000 1.192 268 D HN 0.272 nan 8.370 nan 0.000 0.480 269 T N 3.514 118.147 114.554 0.133 0.000 3.031 269 T HA -0.016 4.334 4.350 -0.000 0.000 0.254 269 T C 1.927 176.804 174.700 0.295 0.000 1.060 269 T CA 0.075 62.282 62.100 0.179 0.000 1.135 269 T CB 0.216 69.213 68.868 0.215 0.000 0.896 269 T HN 0.315 nan 8.240 nan 0.000 0.472 270 I N 2.235 122.951 120.570 0.243 0.000 2.163 270 I HA -0.042 4.128 4.170 -0.000 0.000 0.240 270 I C 2.768 179.063 176.117 0.296 0.000 1.081 270 I CA 1.045 62.508 61.300 0.270 0.000 1.353 270 I CB -0.761 37.336 38.000 0.163 0.000 1.054 270 I HN 0.162 nan 8.210 nan 0.000 0.407 271 A N -0.428 122.545 122.820 0.254 0.000 2.024 271 A HA -0.263 4.057 4.320 -0.000 0.000 0.220 271 A C 2.257 179.933 177.584 0.152 0.000 1.164 271 A CA 1.650 53.870 52.037 0.304 0.000 0.643 271 A CB -0.658 18.527 19.000 0.308 0.000 0.806 271 A HN 0.557 nan 8.150 nan 0.000 0.451 272 Q N -2.063 117.770 119.800 0.055 0.000 2.172 272 Q HA -0.164 4.176 4.340 -0.000 0.000 0.200 272 Q C 1.828 177.695 176.000 -0.221 0.000 0.964 272 Q CA 1.243 56.976 55.803 -0.116 0.000 0.855 272 Q CB -0.152 28.453 28.738 -0.222 0.000 0.918 272 Q HN 0.906 nan 8.270 nan 0.000 0.444 273 W N 0.480 121.775 121.300 -0.007 0.000 2.409 273 W HA -0.072 4.590 4.660 0.003 0.000 0.299 273 W C 2.492 178.958 176.519 -0.089 0.000 1.203 273 W CA 0.951 58.272 57.345 -0.040 0.000 1.298 273 W CB -0.217 29.233 29.460 -0.018 0.000 1.127 273 W HN 0.121 nan 8.180 nan 0.000 0.528 274 A N -0.100 122.794 122.820 0.123 0.000 1.883 274 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 274 A C 1.857 179.285 177.584 -0.261 0.000 1.186 274 A CA 2.491 54.476 52.037 -0.087 0.000 0.624 274 A CB -1.383 17.548 19.000 -0.115 0.000 0.822 274 A HN 0.221 nan 8.150 nan 0.000 0.444 275 T N 0.301 114.719 114.554 -0.226 0.000 2.720 275 T HA -0.161 4.188 4.350 -0.000 0.000 0.268 275 T C 1.816 176.330 174.700 -0.310 0.000 1.037 275 T CA 1.366 63.297 62.100 -0.280 0.000 1.144 275 T CB -0.437 68.346 68.868 -0.141 0.000 0.864 275 T HN 0.403 nan 8.240 nan 0.000 0.444 276 L N 0.921 121.999 121.223 -0.241 0.000 2.042 276 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 276 L C 2.657 179.403 176.870 -0.207 0.000 1.076 276 L CA 1.883 56.587 54.840 -0.226 0.000 0.749 276 L CB -0.294 41.655 42.059 -0.184 0.000 0.893 276 L HN 0.237 nan 8.230 nan 0.000 0.432 277 E N 0.264 120.346 120.200 -0.198 0.000 2.153 277 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 277 E C 1.906 178.324 176.600 -0.303 0.000 0.988 277 E CA 1.482 57.760 56.400 -0.203 0.000 0.811 277 E CB -0.112 29.460 29.700 -0.215 0.000 0.746 277 E HN 0.539 nan 8.360 nan 0.000 0.466 278 A N 0.195 122.712 122.820 -0.505 0.000 1.968 278 A HA -0.025 4.295 4.320 -0.000 0.000 0.217 278 A C 2.118 179.367 177.584 -0.558 0.000 1.169 278 A CA 1.150 52.743 52.037 -0.739 0.000 0.638 278 A CB -0.394 17.820 19.000 -1.310 0.000 0.812 278 A HN 0.338 nan 8.150 nan 0.000 0.446 279 L N -0.570 120.413 121.223 -0.400 0.000 2.307 279 L HA -0.029 4.311 4.340 -0.000 0.000 0.211 279 L C 2.623 179.397 176.870 -0.161 0.000 1.099 279 L CA 1.545 56.230 54.840 -0.259 0.000 0.816 279 L CB -0.782 41.099 42.059 -0.295 0.000 0.952 279 L HN 0.564 nan 8.230 nan 0.000 0.455 280 T N -4.045 110.423 114.554 -0.143 0.000 3.031 280 T HA -0.007 4.343 4.350 -0.000 0.000 0.254 280 T C 1.129 175.798 174.700 -0.051 0.000 1.060 280 T CA -0.008 62.041 62.100 -0.086 0.000 1.135 280 T CB -0.263 68.563 68.868 -0.071 0.000 0.896 280 T HN 0.019 nan 8.240 nan 0.000 0.472 281 N N 2.064 120.742 118.700 -0.037 0.000 2.663 281 N HA 0.196 4.936 4.740 -0.000 0.000 0.250 281 N C 0.844 176.338 175.510 -0.026 0.000 1.129 281 N CA -0.101 52.944 53.050 -0.008 0.000 0.995 281 N CB 0.662 39.189 38.487 0.067 0.000 1.324 281 N HN 0.487 nan 8.380 nan 0.000 0.512 282 Q N 1.538 121.321 119.800 -0.029 0.000 1.942 282 Q HA -0.155 4.185 4.340 -0.000 0.000 0.203 282 Q C 1.155 177.136 176.000 -0.033 0.000 0.987 282 Q CA 1.594 57.387 55.803 -0.017 0.000 0.844 282 Q CB -0.061 28.673 28.738 -0.007 0.000 0.911 282 Q HN 0.600 nan 8.270 nan 0.000 0.423 283 E N 0.125 120.302 120.200 -0.039 0.000 2.200 283 E HA -0.320 4.030 4.350 -0.000 0.000 0.211 283 E C 1.735 178.281 176.600 -0.090 0.000 1.048 283 E CA 1.625 57.995 56.400 -0.050 0.000 0.851 283 E CB -0.177 29.496 29.700 -0.046 0.000 0.747 283 E HN 0.430 nan 8.360 nan 0.000 0.462 284 A N -0.515 122.201 122.820 -0.172 0.000 2.016 284 A HA -0.040 4.280 4.320 -0.000 0.000 0.217 284 A C 2.196 179.557 177.584 -0.372 0.000 1.162 284 A CA 1.289 53.114 52.037 -0.352 0.000 0.662 284 A CB 0.048 18.671 19.000 -0.628 0.000 0.812 284 A HN 0.149 nan 8.150 nan 0.000 0.450 285 S N -0.976 114.616 115.700 -0.181 0.000 2.421 285 S HA -0.010 4.460 4.470 -0.000 0.000 0.224 285 S C 2.056 176.753 174.600 0.162 0.000 1.035 285 S CA 0.613 58.869 58.200 0.093 0.000 0.953 285 S CB -0.241 63.074 63.200 0.190 0.000 0.810 285 S HN 0.613 nan 8.310 nan 0.000 0.497 286 R N 1.581 122.125 120.500 0.073 0.000 2.083 286 R HA -0.096 4.244 4.340 -0.000 0.000 0.237 286 R C 2.375 178.700 176.300 0.042 0.000 1.137 286 R CA 1.444 57.583 56.100 0.065 0.000 0.951 286 R CB -0.567 29.758 30.300 0.041 0.000 0.851 286 R HN 0.378 nan 8.270 nan 0.000 0.434 287 A N 0.534 123.363 122.820 0.016 0.000 1.892 287 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 287 A C 2.006 179.595 177.584 0.008 0.000 1.188 287 A CA 1.630 53.665 52.037 -0.003 0.000 0.631 287 A CB -0.843 18.142 19.000 -0.024 0.000 0.822 287 A HN 0.557 nan 8.150 nan 0.000 0.447 288 F N 0.153 120.056 119.950 -0.078 0.000 2.206 288 F HA -0.067 4.463 4.527 0.005 0.000 0.298 288 F C 2.193 177.939 175.800 -0.090 0.000 1.090 288 F CA 1.565 59.514 58.000 -0.085 0.000 1.323 288 F CB -0.246 38.744 39.000 -0.016 0.000 1.028 288 F HN 0.025 nan 8.300 nan 0.000 0.492 289 V N 1.339 121.247 119.914 -0.010 0.000 2.233 289 V HA -0.303 3.817 4.120 -0.000 0.000 0.247 289 V C 2.499 178.485 176.094 -0.181 0.000 1.050 289 V CA 2.356 64.593 62.300 -0.105 0.000 1.010 289 V CB -0.687 31.138 31.823 0.003 0.000 0.637 289 V HN 0.341 nan 8.190 nan 0.000 0.444 290 E N -0.276 119.867 120.200 -0.095 0.000 2.070 290 E HA -0.307 4.043 4.350 -0.000 0.000 0.197 290 E C 2.186 178.683 176.600 -0.172 0.000 1.004 290 E CA 1.642 57.994 56.400 -0.080 0.000 0.805 290 E CB -0.759 28.916 29.700 -0.042 0.000 0.744 290 E HN 0.487 nan 8.360 nan 0.000 0.451 291 M N 1.513 120.956 119.600 -0.263 0.000 2.082 291 M HA -0.164 4.316 4.480 -0.000 0.000 0.258 291 M C 2.226 178.218 176.300 -0.514 0.000 1.069 291 M CA 2.269 57.364 55.300 -0.342 0.000 1.102 291 M CB -0.783 31.601 32.600 -0.361 0.000 1.336 291 M HN 0.088 nan 8.290 nan 0.000 0.404 292 A N 0.394 122.722 122.820 -0.819 0.000 1.873 292 A HA -0.209 4.111 4.320 -0.000 0.000 0.215 292 A C 2.339 179.553 177.584 -0.617 0.000 1.186 292 A CA 1.929 53.363 52.037 -1.006 0.000 0.616 292 A CB -0.891 17.445 19.000 -1.105 0.000 0.823 292 A HN 0.656 nan 8.150 nan 0.000 0.442 293 R N -0.381 119.999 120.500 -0.200 0.000 2.119 293 R HA -0.216 4.124 4.340 -0.000 0.000 0.246 293 R C 1.824 178.232 176.300 0.180 0.000 1.146 293 R CA 1.964 58.178 56.100 0.191 0.000 0.962 293 R CB -0.260 30.149 30.300 0.182 0.000 0.863 293 R HN 0.503 nan 8.270 nan 0.000 0.442 294 E N 0.061 120.261 120.200 0.000 0.000 2.106 294 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 294 E C 1.866 178.452 176.600 -0.023 0.000 0.984 294 E CA 1.209 57.610 56.400 0.002 0.000 0.806 294 E CB -0.259 29.423 29.700 -0.029 0.000 0.750 294 E HN 0.495 nan 8.360 nan 0.000 0.458 295 A N 0.231 123.001 122.820 -0.082 0.000 2.015 295 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 295 A C 1.972 179.586 177.584 0.050 0.000 1.163 295 A CA 0.948 52.973 52.037 -0.020 0.000 0.646 295 A CB -0.720 18.335 19.000 0.090 0.000 0.806 295 A HN 0.304 nan 8.150 nan 0.000 0.448 296 Y N -0.928 119.486 120.300 0.191 0.000 2.243 296 Y HA -0.117 4.432 4.550 -0.001 0.000 0.293 296 Y C 2.683 178.522 175.900 -0.102 0.000 1.124 296 Y CA 1.086 59.323 58.100 0.229 0.000 1.159 296 Y CB -0.111 38.649 38.460 0.500 0.000 1.008 296 Y HN 0.281 nan 8.280 nan 0.000 0.527 297 R N 1.212 121.629 120.500 -0.139 0.000 2.081 297 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 297 R C 2.168 178.313 176.300 -0.258 0.000 1.131 297 R CA 1.366 57.202 56.100 -0.441 0.000 0.960 297 R CB -0.208 29.956 30.300 -0.227 0.000 0.856 297 R HN 0.272 nan 8.270 nan 0.000 0.436 298 R N 0.083 120.510 120.500 -0.122 0.000 2.091 298 R HA -0.115 4.225 4.340 -0.000 0.000 0.238 298 R C 2.511 178.741 176.300 -0.116 0.000 1.136 298 R CA 1.944 57.988 56.100 -0.095 0.000 0.959 298 R CB -0.235 30.037 30.300 -0.046 0.000 0.856 298 R HN 0.297 nan 8.270 nan 0.000 0.437 299 R N -0.052 120.397 120.500 -0.085 0.000 2.092 299 R HA -0.091 4.249 4.340 -0.000 0.000 0.231 299 R C 2.389 178.508 176.300 -0.301 0.000 1.119 299 R CA 1.097 57.146 56.100 -0.085 0.000 0.970 299 R CB -0.251 30.110 30.300 0.103 0.000 0.864 299 R HN 0.190 nan 8.270 nan 0.000 0.440 300 R N 1.215 121.356 120.500 -0.598 0.000 2.075 300 R HA -0.165 4.175 4.340 -0.000 0.000 0.230 300 R C 1.281 177.322 176.300 -0.432 0.000 1.140 300 R CA 2.192 57.733 56.100 -0.932 0.000 0.928 300 R CB -0.281 29.456 30.300 -0.939 0.000 0.834 300 R HN 0.083 nan 8.270 nan 0.000 0.429 301 D N 1.256 121.475 120.400 -0.302 0.000 2.149 301 D HA -0.225 4.415 4.640 -0.000 0.000 0.194 301 D C 1.827 178.049 176.300 -0.131 0.000 1.001 301 D CA 1.054 54.949 54.000 -0.174 0.000 0.849 301 D CB -0.384 40.336 40.800 -0.132 0.000 0.939 301 D HN 0.251 nan 8.370 nan 0.000 0.449 302 L N 0.489 121.633 121.223 -0.133 0.000 2.083 302 L HA -0.105 4.235 4.340 -0.000 0.000 0.209 302 L C 2.061 178.880 176.870 -0.085 0.000 1.083 302 L CA 1.219 56.004 54.840 -0.092 0.000 0.752 302 L CB -0.594 41.416 42.059 -0.081 0.000 0.899 302 L HN 0.117 nan 8.230 nan 0.000 0.433 303 L N -0.354 120.802 121.223 -0.111 0.000 1.993 303 L HA -0.221 4.119 4.340 -0.000 0.000 0.206 303 L C 2.719 179.565 176.870 -0.040 0.000 1.074 303 L CA 1.204 56.003 54.840 -0.069 0.000 0.746 303 L CB -0.383 41.632 42.059 -0.073 0.000 0.896 303 L HN 0.257 nan 8.230 nan 0.000 0.435 304 L N -0.047 121.135 121.223 -0.068 0.000 2.197 304 L HA -0.302 4.038 4.340 -0.000 0.000 0.215 304 L C 2.431 179.294 176.870 -0.012 0.000 1.095 304 L CA 1.499 56.320 54.840 -0.030 0.000 0.764 304 L CB -0.488 41.538 42.059 -0.056 0.000 0.897 304 L HN 0.500 nan 8.230 nan 0.000 0.436 305 E N 0.203 120.387 120.200 -0.026 0.000 2.011 305 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 305 E C 2.180 178.781 176.600 0.001 0.000 0.979 305 E CA 0.894 57.285 56.400 -0.015 0.000 0.822 305 E CB -0.366 29.318 29.700 -0.027 0.000 0.782 305 E HN 0.271 nan 8.360 nan 0.000 0.459 306 G N 2.073 110.870 108.800 -0.005 0.000 2.550 306 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.222 306 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.222 306 G C 1.624 176.552 174.900 0.047 0.000 1.113 306 G CA 0.962 46.067 45.100 0.009 0.000 0.748 306 G HN 0.257 nan 8.290 nan 0.000 0.585 307 L N -0.131 121.129 121.223 0.061 0.000 2.005 307 L HA -0.079 4.261 4.340 -0.000 0.000 0.207 307 L C 3.094 180.007 176.870 0.071 0.000 1.072 307 L CA 1.983 56.885 54.840 0.104 0.000 0.744 307 L CB -0.949 41.175 42.059 0.108 0.000 0.895 307 L HN 0.234 nan 8.230 nan 0.000 0.433 308 T N -0.308 114.274 114.554 0.047 0.000 2.881 308 T HA -0.107 4.242 4.350 -0.000 0.000 0.270 308 T C 1.660 176.377 174.700 0.029 0.000 1.068 308 T CA 1.122 63.243 62.100 0.034 0.000 1.131 308 T CB -0.000 68.883 68.868 0.025 0.000 0.871 308 T HN 0.446 nan 8.240 nan 0.000 0.479 309 A N 0.077 122.915 122.820 0.030 0.000 2.119 309 A HA 0.185 4.505 4.320 -0.000 0.000 0.217 309 A C 1.672 179.275 177.584 0.032 0.000 1.153 309 A CA 0.856 52.908 52.037 0.025 0.000 0.692 309 A CB -0.163 18.848 19.000 0.018 0.000 0.799 309 A HN 0.434 nan 8.150 nan 0.000 0.458 310 L N -1.679 119.571 121.223 0.046 0.000 2.693 310 L HA 0.343 4.683 4.340 -0.000 0.000 0.235 310 L C 1.594 178.486 176.870 0.036 0.000 1.127 310 L CA 0.999 55.869 54.840 0.050 0.000 0.914 310 L CB 0.161 42.270 42.059 0.085 0.000 1.193 310 L HN 0.488 nan 8.230 nan 0.000 0.502 311 G N -0.086 108.733 108.800 0.032 0.000 2.162 311 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.260 311 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.260 311 G C 0.360 175.272 174.900 0.019 0.000 0.976 311 G CA 0.026 45.139 45.100 0.022 0.000 0.655 311 G HN 0.237 nan 8.290 nan 0.000 0.533 312 L N 0.883 122.124 121.223 0.031 0.000 2.361 312 L HA 0.289 4.629 4.340 -0.000 0.000 0.278 312 L C 1.089 177.978 176.870 0.032 0.000 1.113 312 L CA -0.290 54.563 54.840 0.021 0.000 0.849 312 L CB 0.813 42.895 42.059 0.037 0.000 1.155 312 L HN 0.010 nan 8.230 nan 0.000 0.452 313 K N 2.907 123.316 120.400 0.016 0.000 2.237 313 K HA 0.717 5.037 4.320 -0.000 0.000 0.270 313 K C -0.593 176.044 176.600 0.062 0.000 1.015 313 K CA -0.118 56.189 56.287 0.033 0.000 0.949 313 K CB 1.541 34.049 32.500 0.014 0.000 0.976 313 K HN 0.745 nan 8.250 nan 0.000 0.472 314 A N 2.231 125.111 122.820 0.100 0.000 2.590 314 A HA 0.335 4.655 4.320 -0.000 0.000 0.296 314 A C -1.318 176.363 177.584 0.161 0.000 1.050 314 A CA -0.750 51.377 52.037 0.149 0.000 0.697 314 A CB 0.939 20.017 19.000 0.129 0.000 1.277 314 A HN 0.344 nan 8.150 nan 0.000 0.411 315 V N 2.092 122.137 119.914 0.217 0.000 2.785 315 V HA 0.427 4.547 4.120 -0.000 0.000 0.300 315 V C 0.969 177.165 176.094 0.169 0.000 1.062 315 V CA -0.478 61.955 62.300 0.221 0.000 1.029 315 V CB 1.496 33.546 31.823 0.378 0.000 1.024 315 V HN 0.861 nan 8.190 nan 0.000 0.477 316 R N 5.961 126.547 120.500 0.143 0.000 2.248 316 R HA 0.298 4.637 4.340 -0.000 0.000 0.328 316 R C -2.404 173.982 176.300 0.143 0.000 1.067 316 R CA -1.268 54.901 56.100 0.114 0.000 0.924 316 R CB 0.958 31.307 30.300 0.082 0.000 1.013 316 R HN 0.524 nan 8.270 nan 0.000 0.454 317 P HA 0.156 nan 4.420 nan 0.000 0.284 317 P C -0.690 176.749 177.300 0.232 0.000 1.253 317 P CA -0.405 62.813 63.100 0.195 0.000 0.800 317 P CB 1.777 33.628 31.700 0.251 0.000 0.961 318 S N 0.428 116.260 115.700 0.219 0.000 2.559 318 S HA 0.423 4.893 4.470 -0.000 0.000 0.226 318 S C 0.693 175.405 174.600 0.187 0.000 1.000 318 S CA -0.107 58.239 58.200 0.242 0.000 0.948 318 S CB 0.387 63.682 63.200 0.158 0.000 0.870 318 S HN 0.828 nan 8.310 nan 0.000 0.497 319 G N -0.064 108.818 108.800 0.136 0.000 2.649 319 G HA2 0.691 4.651 3.960 -0.000 0.000 0.290 319 G HA3 0.691 4.651 3.960 -0.000 0.000 0.290 319 G C -0.357 174.466 174.900 -0.129 0.000 1.426 319 G CA 0.050 45.065 45.100 -0.141 0.000 0.794 319 G HN 0.641 nan 8.290 nan 0.000 0.483 320 A N -1.029 121.563 122.820 -0.381 0.000 6.069 320 A HA 0.178 4.498 4.320 -0.000 0.000 0.278 320 A C 0.264 177.507 177.584 -0.570 0.000 2.017 320 A CA 1.959 53.564 52.037 -0.720 0.000 0.717 320 A CB -1.474 16.905 19.000 -1.034 0.000 1.159 320 A HN 2.332 nan 8.150 nan 0.000 0.378 321 F N -3.288 116.167 119.950 -0.825 0.000 2.677 321 F HA 0.699 5.226 4.527 -0.001 0.000 0.388 321 F C -0.548 174.275 175.800 -1.628 0.000 1.400 321 F CA -1.029 56.154 58.000 -1.362 0.000 1.162 321 F CB -0.801 37.401 39.000 -1.330 0.000 1.135 321 F HN 0.484 nan 8.300 nan 0.000 0.516 322 Y N -0.844 119.294 120.300 -0.269 0.000 2.536 322 Y HA 0.781 5.330 4.550 -0.000 0.000 0.347 322 Y C -0.598 175.356 175.900 0.089 0.000 1.000 322 Y CA -1.844 56.191 58.100 -0.109 0.000 1.051 322 Y CB 2.475 40.849 38.460 -0.142 0.000 1.259 322 Y HN -0.110 nan 8.280 nan 0.000 0.468 323 V N 3.544 123.618 119.914 0.267 0.000 2.577 323 V HA 0.321 4.441 4.120 -0.000 0.000 0.303 323 V C -0.749 175.414 176.094 0.116 0.000 1.042 323 V CA -0.873 61.558 62.300 0.218 0.000 0.872 323 V CB 2.111 34.087 31.823 0.254 0.000 0.998 323 V HN 0.626 nan 8.190 nan 0.000 0.423 324 L N 5.768 127.024 121.223 0.055 0.000 2.261 324 L HA 0.513 4.853 4.340 -0.000 0.000 0.289 324 L C -0.066 176.910 176.870 0.177 0.000 1.059 324 L CA 0.059 54.909 54.840 0.016 0.000 0.816 324 L CB 0.959 42.921 42.059 -0.161 0.000 1.191 324 L HN 0.638 nan 8.230 nan 0.000 0.431 325 M N 5.446 125.143 119.600 0.162 0.000 2.036 325 M HA 0.166 4.646 4.480 -0.000 0.000 0.337 325 M C -0.263 176.066 176.300 0.048 0.000 1.012 325 M CA -0.651 54.729 55.300 0.133 0.000 0.962 325 M CB 0.915 33.570 32.600 0.092 0.000 1.423 325 M HN 0.474 nan 8.290 nan 0.000 0.405 326 D N 3.929 124.288 120.400 -0.070 0.000 2.581 326 D HA -0.095 4.545 4.640 -0.000 0.000 0.238 326 D C 0.635 176.830 176.300 -0.176 0.000 1.145 326 D CA 0.761 54.543 54.000 -0.364 0.000 0.866 326 D CB 1.012 41.591 40.800 -0.368 0.000 1.151 326 D HN 0.791 nan 8.370 nan 0.000 0.500 327 T N 0.353 114.816 114.554 -0.152 0.000 3.144 327 T HA -0.019 4.331 4.350 -0.000 0.000 0.249 327 T C 1.797 176.443 174.700 -0.089 0.000 1.089 327 T CA 0.370 62.405 62.100 -0.108 0.000 0.989 327 T CB 0.139 68.959 68.868 -0.080 0.000 0.992 327 T HN 0.274 nan 8.240 nan 0.000 0.540 328 S N 2.837 118.480 115.700 -0.095 0.000 2.408 328 S HA -0.128 4.342 4.470 -0.000 0.000 0.241 328 S C -0.602 173.967 174.600 -0.051 0.000 1.080 328 S CA 2.050 60.211 58.200 -0.065 0.000 1.109 328 S CB -1.090 62.069 63.200 -0.068 0.000 0.966 328 S HN 0.529 nan 8.310 nan 0.000 0.449 329 P HA 0.073 nan 4.420 nan 0.000 0.212 329 P C 1.407 178.677 177.300 -0.049 0.000 1.180 329 P CA 0.873 63.946 63.100 -0.046 0.000 0.902 329 P CB -0.114 31.558 31.700 -0.047 0.000 0.778 330 I N -1.413 119.114 120.570 -0.072 0.000 2.300 330 I HA -0.171 3.999 4.170 -0.000 0.000 0.252 330 I C 1.120 177.209 176.117 -0.047 0.000 1.119 330 I CA 1.440 62.696 61.300 -0.073 0.000 1.384 330 I CB -0.735 37.193 38.000 -0.120 0.000 1.062 330 I HN -0.014 nan 8.210 nan 0.000 0.426 331 A N -1.816 120.979 122.820 -0.041 0.000 2.522 331 A HA 0.424 4.744 4.320 -0.000 0.000 0.291 331 A C -2.163 175.410 177.584 -0.018 0.000 1.039 331 A CA -0.733 51.290 52.037 -0.023 0.000 0.643 331 A CB -0.114 18.876 19.000 -0.017 0.000 1.310 331 A HN -0.178 nan 8.150 nan 0.000 0.436 332 P HA -0.086 nan 4.420 nan 0.000 0.213 332 P C 0.184 177.490 177.300 0.010 0.000 1.170 332 P CA 2.059 65.157 63.100 -0.002 0.000 0.898 332 P CB -0.451 31.250 31.700 0.000 0.000 0.787 333 D N -0.834 119.579 120.400 0.022 0.000 2.506 333 D HA 0.073 4.713 4.640 -0.000 0.000 0.272 333 D C 0.926 177.259 176.300 0.055 0.000 1.214 333 D CA -0.429 53.602 54.000 0.052 0.000 1.067 333 D CB 0.098 40.933 40.800 0.058 0.000 1.117 333 D HN -0.051 nan 8.370 nan 0.000 0.578 334 E N -0.759 119.497 120.200 0.093 0.000 2.216 334 E HA 0.074 4.424 4.350 -0.000 0.000 0.192 334 E C 1.931 178.568 176.600 0.062 0.000 0.973 334 E CA 0.200 56.647 56.400 0.079 0.000 0.851 334 E CB -0.286 29.482 29.700 0.114 0.000 0.804 334 E HN 0.253 nan 8.360 nan 0.000 0.477 335 V N 1.377 121.335 119.914 0.074 0.000 2.216 335 V HA -0.262 3.858 4.120 -0.000 0.000 0.243 335 V C 2.412 178.529 176.094 0.039 0.000 1.044 335 V CA 2.053 64.389 62.300 0.060 0.000 0.995 335 V CB -0.441 31.422 31.823 0.067 0.000 0.633 335 V HN 0.133 nan 8.190 nan 0.000 0.446 336 R N 1.009 121.528 120.500 0.032 0.000 2.091 336 R HA -0.141 4.199 4.340 -0.000 0.000 0.238 336 R C 2.120 178.424 176.300 0.008 0.000 1.136 336 R CA 1.991 58.103 56.100 0.020 0.000 0.959 336 R CB -1.193 29.117 30.300 0.016 0.000 0.856 336 R HN 0.486 nan 8.270 nan 0.000 0.437 337 A N 0.113 122.933 122.820 0.001 0.000 1.917 337 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 337 A C 2.388 179.957 177.584 -0.026 0.000 1.182 337 A CA 2.080 54.102 52.037 -0.025 0.000 0.633 337 A CB -1.097 17.882 19.000 -0.035 0.000 0.819 337 A HN 0.510 nan 8.150 nan 0.000 0.448 338 A N -0.673 122.146 122.820 -0.002 0.000 1.898 338 A HA -0.108 4.211 4.320 -0.000 0.000 0.216 338 A C 1.908 179.503 177.584 0.018 0.000 1.181 338 A CA 1.737 53.780 52.037 0.010 0.000 0.620 338 A CB -0.437 18.582 19.000 0.031 0.000 0.819 338 A HN 0.566 nan 8.150 nan 0.000 0.442 339 E N -0.679 119.533 120.200 0.019 0.000 2.204 339 E HA -0.092 4.257 4.350 -0.000 0.000 0.194 339 E C 2.333 178.943 176.600 0.016 0.000 0.989 339 E CA 0.642 57.055 56.400 0.021 0.000 0.824 339 E CB -0.008 29.705 29.700 0.021 0.000 0.756 339 E HN 0.427 nan 8.360 nan 0.000 0.477 340 R N -0.015 120.488 120.500 0.006 0.000 2.055 340 R HA -0.028 4.312 4.340 -0.000 0.000 0.228 340 R C 2.395 178.700 176.300 0.007 0.000 1.143 340 R CA 0.880 56.981 56.100 0.001 0.000 0.945 340 R CB -0.552 29.739 30.300 -0.015 0.000 0.841 340 R HN 0.230 nan 8.270 nan 0.000 0.429 341 L N 1.132 122.352 121.223 -0.006 0.000 2.187 341 L HA -0.180 4.160 4.340 -0.000 0.000 0.213 341 L C 2.530 179.437 176.870 0.061 0.000 1.100 341 L CA 0.775 55.624 54.840 0.014 0.000 0.765 341 L CB -0.302 41.736 42.059 -0.034 0.000 0.904 341 L HN 0.253 nan 8.230 nan 0.000 0.437 342 L N -0.299 120.952 121.223 0.047 0.000 2.156 342 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 342 L C 2.416 179.315 176.870 0.048 0.000 1.095 342 L CA 1.458 56.330 54.840 0.053 0.000 0.770 342 L CB -0.237 41.848 42.059 0.043 0.000 0.914 342 L HN 0.398 nan 8.230 nan 0.000 0.439 343 E N 0.181 120.405 120.200 0.040 0.000 2.031 343 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 343 E C 2.079 178.705 176.600 0.044 0.000 0.994 343 E CA 1.184 57.605 56.400 0.035 0.000 0.800 343 E CB -0.193 29.524 29.700 0.028 0.000 0.752 343 E HN 0.512 nan 8.360 nan 0.000 0.447 344 A N 0.613 123.467 122.820 0.056 0.000 2.194 344 A HA -0.039 4.281 4.320 -0.000 0.000 0.220 344 A C 1.716 179.346 177.584 0.077 0.000 1.162 344 A CA 1.322 53.404 52.037 0.074 0.000 0.674 344 A CB -0.676 18.390 19.000 0.109 0.000 0.789 344 A HN 0.421 nan 8.150 nan 0.000 0.470 345 G N -2.482 106.360 108.800 0.070 0.000 2.215 345 G HA2 0.002 3.962 3.960 -0.000 0.000 0.198 345 G HA3 0.002 3.962 3.960 -0.000 0.000 0.198 345 G C -0.263 174.682 174.900 0.074 0.000 1.047 345 G CA -0.114 45.020 45.100 0.058 0.000 0.747 345 G HN 1.119 nan 8.290 nan 0.000 0.495 346 V N -0.142 119.836 119.914 0.107 0.000 2.567 346 V HA 0.782 4.902 4.120 -0.000 0.000 0.298 346 V C 0.412 176.581 176.094 0.124 0.000 1.047 346 V CA -0.533 61.851 62.300 0.139 0.000 0.880 346 V CB 1.615 33.610 31.823 0.286 0.000 1.009 346 V HN 1.366 nan 8.190 nan 0.000 0.429 347 A N 5.226 128.103 122.820 0.095 0.000 2.309 347 A HA 0.829 5.149 4.320 -0.000 0.000 0.290 347 A C -0.173 177.470 177.584 0.098 0.000 1.206 347 A CA -0.314 51.773 52.037 0.083 0.000 0.850 347 A CB 0.580 19.618 19.000 0.063 0.000 1.118 347 A HN 1.309 nan 8.150 nan 0.000 0.523 348 V N 0.789 120.760 119.914 0.094 0.000 3.074 348 V HA 0.743 4.863 4.120 -0.000 0.000 0.314 348 V C -0.268 175.874 176.094 0.080 0.000 1.117 348 V CA -0.952 61.405 62.300 0.094 0.000 1.014 348 V CB 1.606 33.483 31.823 0.090 0.000 1.057 348 V HN 0.480 nan 8.190 nan 0.000 0.438 349 V N 2.830 122.790 119.914 0.077 0.000 2.350 349 V HA 0.401 4.520 4.120 -0.000 0.000 0.276 349 V C -2.312 173.827 176.094 0.074 0.000 1.028 349 V CA -1.693 60.669 62.300 0.103 0.000 0.860 349 V CB 1.262 33.177 31.823 0.154 0.000 0.990 349 V HN 0.837 nan 8.190 nan 0.000 0.453 350 P HA 0.129 nan 4.420 nan 0.000 0.268 350 P C 0.859 178.231 177.300 0.121 0.000 1.204 350 P CA 0.126 63.277 63.100 0.085 0.000 0.768 350 P CB 0.730 32.485 31.700 0.091 0.000 0.842 351 G N 1.820 110.642 108.800 0.037 0.000 3.279 351 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.230 351 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.230 351 G C 0.976 175.860 174.900 -0.028 0.000 1.230 351 G CA 0.072 45.180 45.100 0.014 0.000 0.891 351 G HN 0.363 nan 8.290 nan 0.000 0.518 352 T N 0.299 114.842 114.554 -0.019 0.000 2.777 352 T HA -0.095 4.255 4.350 -0.000 0.000 0.266 352 T C 1.756 176.296 174.700 -0.266 0.000 1.040 352 T CA 1.148 63.128 62.100 -0.200 0.000 1.141 352 T CB -0.031 68.862 68.868 0.042 0.000 0.868 352 T HN 0.262 nan 8.240 nan 0.000 0.444 353 D N 0.234 120.597 120.400 -0.061 0.000 2.323 353 D HA 0.055 4.695 4.640 -0.000 0.000 0.209 353 D C 1.016 177.216 176.300 -0.166 0.000 0.973 353 D CA 0.561 54.485 54.000 -0.127 0.000 0.874 353 D CB -0.015 40.673 40.800 -0.187 0.000 0.930 353 D HN 0.398 nan 8.370 nan 0.000 0.521 354 F N 0.504 120.339 119.950 -0.193 0.000 2.797 354 F HA 0.284 4.811 4.527 -0.001 0.000 0.302 354 F C 1.516 176.974 175.800 -0.569 0.000 1.130 354 F CA 0.119 57.980 58.000 -0.231 0.000 1.387 354 F CB -0.047 38.833 39.000 -0.200 0.000 1.107 354 F HN -0.142 nan 8.300 nan 0.000 0.577 355 A N 0.287 122.854 122.820 -0.421 0.000 2.969 355 A HA -0.030 4.290 4.320 -0.000 0.000 0.252 355 A C 0.801 178.126 177.584 -0.431 0.000 1.377 355 A CA 0.576 52.275 52.037 -0.563 0.000 0.859 355 A CB -2.043 16.592 19.000 -0.608 0.000 1.077 355 A HN 0.688 nan 8.150 nan 0.000 0.671 356 A N -0.156 122.425 122.820 -0.399 0.000 3.150 356 A HA 0.661 4.981 4.320 -0.000 0.000 0.328 356 A C -0.006 177.515 177.584 -0.106 0.000 1.104 356 A CA -0.461 51.428 52.037 -0.246 0.000 0.937 356 A CB -0.395 18.423 19.000 -0.304 0.000 1.073 356 A HN 0.790 nan 8.150 nan 0.000 0.497 357 F N 0.207 120.215 119.950 0.097 0.000 2.545 357 F HA 0.379 4.906 4.527 0.000 0.000 0.348 357 F C 1.789 177.722 175.800 0.221 0.000 1.163 357 F CA 1.826 59.904 58.000 0.129 0.000 1.331 357 F CB 0.699 39.753 39.000 0.091 0.000 1.138 357 F HN 0.654 nan 8.300 nan 0.000 0.602 358 G N 0.516 109.526 108.800 0.350 0.000 2.550 358 G HA2 -0.305 3.654 3.960 -0.000 0.000 0.233 358 G HA3 -0.305 3.654 3.960 -0.000 0.000 0.233 358 G C 0.127 175.071 174.900 0.074 0.000 1.170 358 G CA 0.311 45.513 45.100 0.171 0.000 0.693 358 G HN 0.733 nan 8.290 nan 0.000 0.512 359 H N -0.636 118.467 119.070 0.055 0.000 2.490 359 H HA 0.792 5.348 4.556 -0.000 0.000 0.354 359 H C 0.166 175.476 175.328 -0.031 0.000 1.365 359 H CA 0.039 56.090 56.048 0.004 0.000 1.413 359 H CB 1.430 31.183 29.762 -0.015 0.000 1.631 359 H HN 0.489 nan 8.280 nan 0.000 0.607 360 V N -0.046 119.926 119.914 0.097 0.000 2.971 360 V HA 0.347 4.467 4.120 -0.000 0.000 0.309 360 V C -1.010 175.062 176.094 -0.036 0.000 1.130 360 V CA -0.910 61.394 62.300 0.007 0.000 0.964 360 V CB 2.078 33.899 31.823 -0.004 0.000 1.029 360 V HN 0.706 nan 8.190 nan 0.000 0.427 361 R N 4.991 125.419 120.500 -0.120 0.000 2.265 361 R HA 0.674 5.014 4.340 -0.000 0.000 0.328 361 R C -1.619 174.677 176.300 -0.006 0.000 0.969 361 R CA -0.500 55.505 56.100 -0.159 0.000 0.832 361 R CB 1.021 31.033 30.300 -0.481 0.000 1.139 361 R HN 0.583 nan 8.270 nan 0.000 0.457 362 L N 1.176 122.447 121.223 0.081 0.000 2.342 362 L HA 0.586 4.926 4.340 -0.000 0.000 0.271 362 L C -0.134 176.833 176.870 0.162 0.000 1.008 362 L CA -0.693 54.231 54.840 0.140 0.000 0.818 362 L CB 1.785 43.959 42.059 0.191 0.000 1.296 362 L HN 0.333 nan 8.230 nan 0.000 0.427 363 S N 0.525 116.290 115.700 0.108 0.000 2.451 363 S HA 0.565 5.035 4.470 -0.000 0.000 0.301 363 S C -0.248 174.307 174.600 -0.075 0.000 1.116 363 S CA -0.493 57.679 58.200 -0.048 0.000 1.093 363 S CB 0.403 63.564 63.200 -0.065 0.000 1.017 363 S HN 0.664 nan 8.310 nan 0.000 0.482 364 Y N 2.781 123.024 120.300 -0.094 0.000 2.708 364 Y HA 0.654 5.204 4.550 -0.000 0.000 0.287 364 Y C 1.050 176.869 175.900 -0.135 0.000 1.145 364 Y CA -0.392 57.658 58.100 -0.084 0.000 1.249 364 Y CB -0.552 37.889 38.460 -0.032 0.000 1.152 364 Y HN 0.598 nan 8.280 nan 0.000 0.532 365 A N -0.222 122.346 122.820 -0.421 0.000 2.251 365 A HA 0.082 4.401 4.320 -0.000 0.000 0.209 365 A C 1.422 178.847 177.584 -0.266 0.000 1.187 365 A CA 0.670 52.376 52.037 -0.552 0.000 0.823 365 A CB -0.462 17.676 19.000 -1.437 0.000 0.846 365 A HN 0.465 nan 8.150 nan 0.000 0.486 366 T N -0.798 113.647 114.554 -0.181 0.000 2.793 366 T HA 0.359 4.709 4.350 -0.000 0.000 0.299 366 T C 0.901 175.533 174.700 -0.114 0.000 1.038 366 T CA 0.396 62.411 62.100 -0.141 0.000 0.948 366 T CB 0.475 69.283 68.868 -0.099 0.000 1.231 366 T HN 0.499 nan 8.240 nan 0.000 0.538 367 S N -0.437 115.198 115.700 -0.109 0.000 2.572 367 S HA 0.032 4.502 4.470 -0.000 0.000 0.267 367 S C 1.167 175.728 174.600 -0.064 0.000 1.361 367 S CA 0.425 58.567 58.200 -0.098 0.000 1.009 367 S CB 0.350 63.503 63.200 -0.079 0.000 0.888 367 S HN 0.814 nan 8.310 nan 0.000 0.553 368 E N 0.443 120.609 120.200 -0.057 0.000 2.086 368 E HA -0.053 4.297 4.350 -0.000 0.000 0.190 368 E C 1.847 178.419 176.600 -0.048 0.000 0.975 368 E CA 0.373 56.747 56.400 -0.043 0.000 0.813 368 E CB -0.182 29.496 29.700 -0.036 0.000 0.768 368 E HN 0.781 nan 8.360 nan 0.000 0.457 369 E N 0.631 120.803 120.200 -0.047 0.000 2.219 369 E HA -0.199 4.150 4.350 -0.000 0.000 0.198 369 E C 1.448 178.016 176.600 -0.054 0.000 0.998 369 E CA 0.921 57.294 56.400 -0.045 0.000 0.818 369 E CB 0.035 29.712 29.700 -0.039 0.000 0.741 369 E HN 0.236 nan 8.360 nan 0.000 0.477 370 N N 0.002 118.667 118.700 -0.058 0.000 2.336 370 N HA -0.016 4.724 4.740 -0.000 0.000 0.177 370 N C 2.027 177.485 175.510 -0.088 0.000 1.018 370 N CA 0.338 53.349 53.050 -0.066 0.000 0.878 370 N CB -0.359 38.093 38.487 -0.058 0.000 0.997 370 N HN 0.162 nan 8.380 nan 0.000 0.433 371 L N 0.703 121.878 121.223 -0.080 0.000 2.079 371 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 371 L C 2.405 179.185 176.870 -0.150 0.000 1.081 371 L CA 1.037 55.817 54.840 -0.101 0.000 0.752 371 L CB -0.228 41.796 42.059 -0.059 0.000 0.896 371 L HN 0.142 nan 8.230 nan 0.000 0.433 372 R N 0.342 120.775 120.500 -0.112 0.000 2.062 372 R HA -0.160 4.180 4.340 -0.000 0.000 0.231 372 R C 2.235 178.460 176.300 -0.126 0.000 1.136 372 R CA 1.137 57.171 56.100 -0.111 0.000 0.948 372 R CB -0.415 29.841 30.300 -0.073 0.000 0.845 372 R HN 0.301 nan 8.270 nan 0.000 0.430 373 K N 0.476 120.814 120.400 -0.104 0.000 2.211 373 K HA -0.093 4.227 4.320 -0.000 0.000 0.204 373 K C 1.874 178.396 176.600 -0.130 0.000 1.047 373 K CA 1.240 57.473 56.287 -0.090 0.000 0.935 373 K CB 0.051 32.513 32.500 -0.063 0.000 0.728 373 K HN 0.137 nan 8.250 nan 0.000 0.452 374 A N 0.960 123.653 122.820 -0.213 0.000 1.855 374 A HA -0.035 4.285 4.320 -0.000 0.000 0.213 374 A C 1.953 179.147 177.584 -0.650 0.000 1.195 374 A CA 0.728 52.541 52.037 -0.374 0.000 0.610 374 A CB -0.551 18.198 19.000 -0.418 0.000 0.837 374 A HN 0.269 nan 8.150 nan 0.000 0.444 375 L N 0.332 121.200 121.223 -0.592 0.000 2.263 375 L HA -0.249 4.091 4.340 -0.000 0.000 0.216 375 L C 2.585 179.340 176.870 -0.192 0.000 1.111 375 L CA 1.802 56.358 54.840 -0.473 0.000 0.773 375 L CB -0.372 41.541 42.059 -0.243 0.000 0.906 375 L HN 0.739 nan 8.230 nan 0.000 0.439 376 E N -0.098 120.018 120.200 -0.140 0.000 2.140 376 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 376 E C 2.058 178.670 176.600 0.021 0.000 0.973 376 E CA 0.175 56.552 56.400 -0.039 0.000 0.829 376 E CB 0.122 29.799 29.700 -0.039 0.000 0.781 376 E HN 0.384 nan 8.360 nan 0.000 0.466 377 R N 0.338 120.854 120.500 0.026 0.000 2.090 377 R HA -0.018 4.322 4.340 -0.000 0.000 0.228 377 R C 2.321 178.775 176.300 0.257 0.000 1.110 377 R CA 0.956 57.127 56.100 0.119 0.000 0.973 377 R CB -1.020 29.359 30.300 0.131 0.000 0.869 377 R HN 0.324 nan 8.270 nan 0.000 0.440 378 F N 1.659 121.614 119.950 0.009 0.000 2.126 378 F HA -0.255 4.272 4.527 0.000 0.000 0.299 378 F C 2.743 178.547 175.800 0.007 0.000 1.096 378 F CA 0.512 58.518 58.000 0.010 0.000 1.255 378 F CB -0.339 38.667 39.000 0.011 0.000 0.997 378 F HN 0.105 nan 8.300 nan 0.000 0.479 379 A N 1.234 124.184 122.820 0.216 0.000 1.852 379 A HA -0.284 4.036 4.320 -0.000 0.000 0.217 379 A C 2.139 179.772 177.584 0.081 0.000 1.215 379 A CA 2.316 54.421 52.037 0.114 0.000 0.641 379 A CB -1.052 17.991 19.000 0.072 0.000 0.838 379 A HN 0.353 nan 8.150 nan 0.000 0.450 380 R N -0.967 119.577 120.500 0.074 0.000 2.148 380 R HA -0.159 4.181 4.340 -0.000 0.000 0.230 380 R C 1.936 178.264 176.300 0.046 0.000 1.120 380 R CA 1.650 57.781 56.100 0.052 0.000 0.902 380 R CB -1.431 28.899 30.300 0.050 0.000 0.839 380 R HN 0.292 nan 8.270 nan 0.000 0.431 381 V N 1.820 121.767 119.914 0.055 0.000 2.363 381 V HA -0.209 3.911 4.120 -0.000 0.000 0.254 381 V C 1.767 177.867 176.094 0.011 0.000 1.074 381 V CA 1.416 63.734 62.300 0.030 0.000 1.069 381 V CB -0.475 31.366 31.823 0.029 0.000 0.659 381 V HN 0.188 nan 8.190 nan 0.000 0.455 382 L N 0.000 121.237 121.223 0.023 0.000 2.949 382 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 382 L CA 0.000 54.847 54.840 0.011 0.000 0.813 382 L CB 0.000 42.079 42.059 0.033 0.000 0.961 382 L HN 0.000 nan 8.230 nan 0.000 0.502