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 2bxs_1_B DATA FIRST_RESID 12 DATA SEQUENCE HMFDVVVIGG GISGLSAAKL LTEYGVSVLV LEARDRVGGR TYTIRNEHVD DATA SEQUENCE YVDVGGAYVG PTQNRILRLS KELGIETYKV NVSERLVQYV KGKTYPFRGX DATA SEQUENCE XXXXWNPIAY LDYNNLWRTI DNMGKEIPTD APWEAQHADK WDKMTMKELI DATA SEQUENCE DKICWTKTAR RFAYLFVNIN VTSEPHEVSA LWFLWYVKQC GGTTRIFSVT DATA SEQUENCE NGGQERKFVG GSGQVSERIM DLLGDQVKLN HPVTHVDQSS DNIIIETLNH DATA SEQUENCE EHYECKYVIN AIPPTLTAKI HFRPELPAER NQLIQRLPMG AVIKCMMYYK DATA SEQUENCE EAFWKKKDYC GCMIIEDEDA PISITLDDTK PDGSLPAIMG FILARKADRL DATA SEQUENCE AKLHKEIRKK KICELYAKVL GSQEALHPVH YEEKNWCEEQ YSGGCYTAYF DATA SEQUENCE PPGIMTQYGR VIRQPVGRIF FAGTETATKW SGYMEGAVEA GERAAREVLN DATA SEQUENCE GLGKVTEKDI WVQEPESKDV PAVEITHTFW ERNLPSVSGL LKIIG 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 12 H HA 0.000 nan 4.556 nan 0.000 0.296 12 H C 0.000 175.584 175.328 0.427 0.000 0.993 12 H CA 0.000 56.274 56.048 0.377 0.000 1.023 12 H CB 0.000 29.881 29.762 0.198 0.000 1.292 13 M N 0.715 120.526 119.600 0.352 0.000 2.530 13 M HA 0.712 5.179 4.480 -0.022 0.000 0.307 13 M C -2.023 174.298 176.300 0.035 0.000 1.161 13 M CA -0.498 54.986 55.300 0.308 0.000 0.903 13 M CB 1.929 34.650 32.600 0.201 0.000 1.711 13 M HN 0.082 nan 8.290 nan 0.000 0.451 14 F N 0.200 120.210 119.950 0.101 0.000 2.869 14 F HA 0.417 4.930 4.527 -0.023 0.000 0.325 14 F C 0.524 176.373 175.800 0.083 0.000 1.184 14 F CA -0.679 57.363 58.000 0.070 0.000 0.951 14 F CB 1.177 40.206 39.000 0.048 0.000 1.421 14 F HN 0.576 nan 8.300 nan 0.000 0.501 15 D N -0.121 120.456 120.400 0.295 0.000 2.146 15 D HA 0.048 4.675 4.640 -0.022 0.000 0.209 15 D C -0.419 176.041 176.300 0.267 0.000 0.973 15 D CA 1.578 55.714 54.000 0.227 0.000 0.860 15 D CB 0.664 41.567 40.800 0.171 0.000 1.015 15 D HN 0.079 nan 8.370 nan 0.000 0.465 16 V N 0.969 121.025 119.914 0.238 0.000 2.711 16 V HA 0.352 4.459 4.120 -0.022 0.000 0.304 16 V C -0.841 175.321 176.094 0.113 0.000 1.097 16 V CA -0.676 61.749 62.300 0.207 0.000 0.906 16 V CB 1.898 33.813 31.823 0.154 0.000 1.015 16 V HN -0.198 nan 8.190 nan 0.000 0.427 17 V N 6.432 126.400 119.914 0.091 0.000 2.904 17 V HA 0.565 4.672 4.120 -0.022 0.000 0.305 17 V C -0.071 176.029 176.094 0.010 0.000 1.067 17 V CA -0.284 62.006 62.300 -0.016 0.000 1.044 17 V CB 1.836 33.655 31.823 -0.007 0.000 1.050 17 V HN 0.742 nan 8.190 nan 0.000 0.475 18 V N 4.468 124.356 119.914 -0.043 0.000 2.487 18 V HA 0.447 4.553 4.120 -0.022 0.000 0.298 18 V C -0.271 175.816 176.094 -0.011 0.000 1.028 18 V CA -0.415 61.886 62.300 0.002 0.000 0.860 18 V CB 1.693 33.511 31.823 -0.009 0.000 0.991 18 V HN 0.639 nan 8.190 nan 0.000 0.427 19 I N 5.033 125.628 120.570 0.042 0.000 2.281 19 I HA 0.665 4.822 4.170 -0.022 0.000 0.293 19 I C 0.812 176.953 176.117 0.040 0.000 1.085 19 I CA 0.417 61.736 61.300 0.033 0.000 1.257 19 I CB 0.613 38.651 38.000 0.063 0.000 1.430 19 I HN 0.892 nan 8.210 nan 0.000 0.489 20 G N 3.676 112.480 108.800 0.008 0.000 2.697 20 G HA2 0.151 4.098 3.960 -0.022 0.000 0.684 20 G HA3 0.151 4.098 3.960 -0.022 0.000 0.684 20 G C -0.214 174.691 174.900 0.008 0.000 1.274 20 G CA -0.516 44.594 45.100 0.017 0.000 0.806 20 G HN 0.838 nan 8.290 nan 0.000 0.644 21 G N 0.225 109.028 108.800 0.004 0.000 4.828 21 G HA2 0.719 4.666 3.960 -0.022 0.000 0.294 21 G HA3 0.719 4.666 3.960 -0.022 0.000 0.294 21 G C 0.654 175.567 174.900 0.021 0.000 1.288 21 G CA 0.980 46.080 45.100 0.000 0.000 0.987 21 G HN 1.346 nan 8.290 nan 0.000 0.587 22 G N -0.258 108.567 108.800 0.042 0.000 2.537 22 G HA2 0.403 4.350 3.960 -0.022 0.000 0.297 22 G HA3 0.403 4.350 3.960 -0.022 0.000 0.297 22 G C 1.267 176.200 174.900 0.055 0.000 1.310 22 G CA -0.889 44.246 45.100 0.058 0.000 1.027 22 G HN 0.152 nan 8.290 nan 0.000 0.505 23 I N -0.368 120.240 120.570 0.064 0.000 2.367 23 I HA -0.255 3.902 4.170 -0.022 0.000 0.256 23 I C 2.679 178.830 176.117 0.057 0.000 1.132 23 I CA 1.273 62.609 61.300 0.061 0.000 1.397 23 I CB -0.151 37.895 38.000 0.076 0.000 1.074 23 I HN 0.369 nan 8.210 nan 0.000 0.435 24 S N 0.322 116.062 115.700 0.067 0.000 2.297 24 S HA 0.052 4.509 4.470 -0.022 0.000 0.200 24 S C 2.105 176.736 174.600 0.052 0.000 1.011 24 S CA 0.879 59.120 58.200 0.069 0.000 0.938 24 S CB -0.632 62.624 63.200 0.094 0.000 0.924 24 S HN 0.508 nan 8.310 nan 0.000 0.504 25 G N 1.994 110.829 108.800 0.058 0.000 2.606 25 G HA2 -0.241 3.706 3.960 -0.022 0.000 0.223 25 G HA3 -0.241 3.706 3.960 -0.022 0.000 0.223 25 G C 1.280 176.190 174.900 0.018 0.000 1.106 25 G CA 1.219 46.343 45.100 0.041 0.000 0.745 25 G HN 0.457 nan 8.290 nan 0.000 0.597 26 L N -0.009 121.225 121.223 0.018 0.000 2.095 26 L HA -0.002 4.325 4.340 -0.022 0.000 0.204 26 L C 3.139 180.013 176.870 0.007 0.000 1.080 26 L CA 0.938 55.782 54.840 0.006 0.000 0.759 26 L CB -0.485 41.578 42.059 0.006 0.000 0.914 26 L HN 0.173 nan 8.230 nan 0.000 0.439 27 S N 0.139 115.848 115.700 0.015 0.000 2.374 27 S HA -0.249 4.208 4.470 -0.022 0.000 0.227 27 S C 2.133 176.734 174.600 0.002 0.000 1.037 27 S CA 1.524 59.731 58.200 0.011 0.000 1.024 27 S CB -0.230 62.981 63.200 0.019 0.000 0.861 27 S HN 0.512 nan 8.310 nan 0.000 0.456 28 A N 1.135 123.954 122.820 -0.002 0.000 1.897 28 A HA 0.214 4.521 4.320 -0.022 0.000 0.215 28 A C 2.346 179.919 177.584 -0.017 0.000 1.181 28 A CA 1.577 53.601 52.037 -0.021 0.000 0.620 28 A CB -1.049 17.939 19.000 -0.021 0.000 0.821 28 A HN 0.519 nan 8.150 nan 0.000 0.443 29 A N 0.115 122.930 122.820 -0.009 0.000 1.883 29 A HA -0.215 4.092 4.320 -0.022 0.000 0.217 29 A C 2.151 179.738 177.584 0.005 0.000 1.186 29 A CA 2.112 54.144 52.037 -0.008 0.000 0.624 29 A CB -0.516 18.474 19.000 -0.017 0.000 0.822 29 A HN 0.554 nan 8.150 nan 0.000 0.444 30 K N -1.010 119.393 120.400 0.005 0.000 2.097 30 K HA -0.137 4.170 4.320 -0.022 0.000 0.206 30 K C 1.870 178.488 176.600 0.030 0.000 1.049 30 K CA 1.535 57.828 56.287 0.011 0.000 0.933 30 K CB -0.234 32.267 32.500 0.002 0.000 0.717 30 K HN 0.332 nan 8.250 nan 0.000 0.442 31 L N 1.277 122.522 121.223 0.036 0.000 2.068 31 L HA -0.033 4.294 4.340 -0.022 0.000 0.204 31 L C 1.975 178.934 176.870 0.149 0.000 1.076 31 L CA 1.306 56.199 54.840 0.087 0.000 0.753 31 L CB -0.333 41.756 42.059 0.049 0.000 0.910 31 L HN 0.176 nan 8.230 nan 0.000 0.439 32 L N -1.230 120.024 121.223 0.051 0.000 2.079 32 L HA -0.243 4.084 4.340 -0.022 0.000 0.210 32 L C 2.327 179.258 176.870 0.101 0.000 1.081 32 L CA 1.658 56.523 54.840 0.041 0.000 0.752 32 L CB -1.098 40.950 42.059 -0.019 0.000 0.896 32 L HN 0.264 nan 8.230 nan 0.000 0.433 33 T N -1.067 113.531 114.554 0.073 0.000 2.643 33 T HA -0.174 4.163 4.350 -0.022 0.000 0.264 33 T C 1.739 176.469 174.700 0.051 0.000 1.045 33 T CA 1.235 63.368 62.100 0.056 0.000 1.155 33 T CB -0.166 68.721 68.868 0.031 0.000 0.863 33 T HN 0.275 nan 8.240 nan 0.000 0.420 34 E N 0.483 120.707 120.200 0.040 0.000 2.277 34 E HA -0.203 4.134 4.350 -0.022 0.000 0.216 34 E C 1.712 178.228 176.600 -0.140 0.000 1.068 34 E CA 1.755 58.129 56.400 -0.042 0.000 0.866 34 E CB -0.475 29.210 29.700 -0.025 0.000 0.749 34 E HN 0.710 nan 8.360 nan 0.000 0.465 35 Y N -0.922 119.359 120.300 -0.032 0.000 2.500 35 Y HA 0.207 4.744 4.550 -0.022 0.000 0.270 35 Y C 1.384 177.270 175.900 -0.023 0.000 1.134 35 Y CA 0.499 58.579 58.100 -0.033 0.000 1.293 35 Y CB 0.763 39.194 38.460 -0.048 0.000 1.063 35 Y HN 0.146 nan 8.280 nan 0.000 0.534 36 G N 1.003 109.857 108.800 0.089 0.000 2.370 36 G HA2 -0.180 3.767 3.960 -0.022 0.000 0.268 36 G HA3 -0.180 3.767 3.960 -0.022 0.000 0.268 36 G C -0.865 174.075 174.900 0.066 0.000 1.122 36 G CA -0.037 45.095 45.100 0.053 0.000 0.963 36 G HN 0.090 nan 8.290 nan 0.000 0.500 37 V N 0.643 120.602 119.914 0.075 0.000 2.495 37 V HA 0.695 4.802 4.120 -0.022 0.000 0.298 37 V C 1.093 177.237 176.094 0.083 0.000 1.031 37 V CA -0.104 62.236 62.300 0.066 0.000 0.871 37 V CB 1.909 33.758 31.823 0.043 0.000 0.988 37 V HN 1.212 nan 8.190 nan 0.000 0.432 38 S N 5.529 121.289 115.700 0.099 0.000 2.611 38 S HA 0.194 4.651 4.470 -0.022 0.000 0.317 38 S C -0.288 174.468 174.600 0.260 0.000 1.208 38 S CA -0.365 57.936 58.200 0.169 0.000 1.217 38 S CB -0.407 62.867 63.200 0.122 0.000 1.085 38 S HN 0.517 nan 8.310 nan 0.000 0.529 39 V N 4.989 125.030 119.914 0.212 0.000 2.966 39 V HA 0.800 4.907 4.120 -0.022 0.000 0.317 39 V C -0.075 176.011 176.094 -0.012 0.000 1.070 39 V CA -1.070 61.291 62.300 0.101 0.000 1.008 39 V CB 1.435 33.278 31.823 0.033 0.000 1.070 39 V HN 0.856 nan 8.190 nan 0.000 0.457 40 L N 2.460 123.530 121.223 -0.255 0.000 2.588 40 L HA 0.687 5.013 4.340 -0.022 0.000 0.263 40 L C -1.314 175.329 176.870 -0.379 0.000 0.935 40 L CA -0.042 54.454 54.840 -0.572 0.000 0.891 40 L CB 2.102 43.333 42.059 -1.380 0.000 1.318 40 L HN 0.422 nan 8.230 nan 0.000 0.409 41 V N 6.265 125.990 119.914 -0.315 0.000 2.376 41 V HA 0.467 4.574 4.120 -0.022 0.000 0.287 41 V C -0.339 175.618 176.094 -0.228 0.000 1.015 41 V CA -0.391 61.783 62.300 -0.209 0.000 0.834 41 V CB 1.509 33.259 31.823 -0.123 0.000 1.001 41 V HN 0.616 nan 8.190 nan 0.000 0.428 42 L N 4.655 125.749 121.223 -0.215 0.000 2.257 42 L HA 0.671 4.998 4.340 -0.022 0.000 0.290 42 L C 0.011 176.833 176.870 -0.080 0.000 1.044 42 L CA -0.238 54.497 54.840 -0.175 0.000 0.810 42 L CB 1.212 43.162 42.059 -0.182 0.000 1.193 42 L HN 0.672 nan 8.230 nan 0.000 0.425 43 E N 2.425 122.586 120.200 -0.065 0.000 2.227 43 E HA 0.597 4.934 4.350 -0.022 0.000 0.268 43 E C 0.180 176.709 176.600 -0.119 0.000 0.907 43 E CA -0.356 55.997 56.400 -0.079 0.000 0.786 43 E CB 2.120 31.776 29.700 -0.074 0.000 1.191 43 E HN 0.561 nan 8.360 nan 0.000 0.411 44 A N 4.394 127.055 122.820 -0.264 0.000 2.021 44 A HA 0.121 4.428 4.320 -0.022 0.000 0.216 44 A C 1.029 178.306 177.584 -0.512 0.000 1.163 44 A CA 0.418 52.168 52.037 -0.478 0.000 0.676 44 A CB -0.163 18.239 19.000 -0.996 0.000 0.818 44 A HN 0.602 nan 8.150 nan 0.000 0.453 45 R N 0.520 120.768 120.500 -0.421 0.000 2.747 45 R HA 0.115 4.442 4.340 -0.022 0.000 0.278 45 R C 0.641 176.848 176.300 -0.155 0.000 1.153 45 R CA 0.311 56.247 56.100 -0.274 0.000 1.206 45 R CB 0.112 30.297 30.300 -0.193 0.000 1.161 45 R HN 0.520 nan 8.270 nan 0.000 0.589 46 D N 0.465 120.797 120.400 -0.112 0.000 2.277 46 D HA -0.098 4.529 4.640 -0.022 0.000 0.208 46 D C 0.483 176.746 176.300 -0.062 0.000 0.962 46 D CA 0.899 54.858 54.000 -0.070 0.000 0.865 46 D CB 0.119 40.888 40.800 -0.051 0.000 0.939 46 D HN 0.418 nan 8.370 nan 0.000 0.510 47 R N 0.373 120.821 120.500 -0.086 0.000 2.902 47 R HA 0.588 4.915 4.340 -0.022 0.000 0.258 47 R C -0.240 176.028 176.300 -0.055 0.000 1.071 47 R CA -1.093 54.968 56.100 -0.065 0.000 1.024 47 R CB 1.949 32.191 30.300 -0.096 0.000 1.184 47 R HN -0.061 nan 8.270 nan 0.000 0.492 48 V N -1.999 117.902 119.914 -0.022 0.000 2.850 48 V HA 0.848 4.955 4.120 -0.022 0.000 0.315 48 V C 0.548 176.657 176.094 0.025 0.000 1.064 48 V CA 0.377 62.674 62.300 -0.006 0.000 0.979 48 V CB 0.982 32.803 31.823 -0.003 0.000 1.039 48 V HN 1.131 nan 8.190 nan 0.000 0.452 49 G N 0.634 109.461 108.800 0.046 0.000 2.624 49 G HA2 0.263 4.210 3.960 -0.022 0.000 0.190 49 G HA3 0.263 4.210 3.960 -0.022 0.000 0.190 49 G C 1.410 176.382 174.900 0.119 0.000 1.008 49 G CA 0.595 45.751 45.100 0.092 0.000 0.731 49 G HN 2.484 nan 8.290 nan 0.000 0.478 50 G N 0.725 109.590 108.800 0.109 0.000 2.672 50 G HA2 -0.405 3.542 3.960 -0.022 0.000 0.324 50 G HA3 -0.405 3.542 3.960 -0.022 0.000 0.324 50 G C 1.004 176.043 174.900 0.232 0.000 1.286 50 G CA 1.548 46.742 45.100 0.156 0.000 1.004 50 G HN 1.012 nan 8.290 nan 0.000 0.548 51 R N 1.299 121.853 120.500 0.091 0.000 2.293 51 R HA 0.117 4.444 4.340 -0.022 0.000 0.219 51 R C 1.421 177.620 176.300 -0.169 0.000 1.091 51 R CA 1.278 57.253 56.100 -0.208 0.000 1.004 51 R CB -0.411 29.730 30.300 -0.265 0.000 0.865 51 R HN 0.735 nan 8.270 nan 0.000 0.469 52 T N -2.066 112.525 114.554 0.061 0.000 2.882 52 T HA 0.334 4.671 4.350 -0.022 0.000 0.287 52 T C -0.810 174.104 174.700 0.357 0.000 0.992 52 T CA -0.581 61.606 62.100 0.145 0.000 1.076 52 T CB 1.558 70.498 68.868 0.120 0.000 0.961 52 T HN 0.098 nan 8.240 nan 0.000 0.490 53 Y N 0.996 121.433 120.300 0.227 0.000 2.376 53 Y HA 0.406 4.944 4.550 -0.021 0.000 0.321 53 Y C -1.463 174.561 175.900 0.207 0.000 1.189 53 Y CA -1.266 56.987 58.100 0.255 0.000 1.069 53 Y CB 1.309 40.006 38.460 0.395 0.000 1.292 53 Y HN 0.856 nan 8.280 nan 0.000 0.430 54 T N 7.789 122.490 114.554 0.245 0.000 3.053 54 T HA 0.416 4.753 4.350 -0.022 0.000 0.363 54 T C 0.095 174.774 174.700 -0.036 0.000 1.239 54 T CA -0.318 61.813 62.100 0.053 0.000 1.071 54 T CB 0.087 69.040 68.868 0.142 0.000 1.089 54 T HN 0.586 nan 8.240 nan 0.000 0.527 55 I N 3.160 123.546 120.570 -0.306 0.000 2.668 55 I HA 0.082 4.239 4.170 -0.022 0.000 0.285 55 I C 0.727 176.854 176.117 0.017 0.000 1.168 55 I CA 0.452 61.651 61.300 -0.169 0.000 1.424 55 I CB 0.309 38.158 38.000 -0.251 0.000 1.377 55 I HN 0.286 nan 8.210 nan 0.000 0.560 56 R N 5.601 126.140 120.500 0.065 0.000 2.358 56 R HA 0.343 4.670 4.340 -0.022 0.000 0.309 56 R C -1.266 175.062 176.300 0.048 0.000 1.026 56 R CA -0.666 55.481 56.100 0.079 0.000 0.909 56 R CB 0.856 31.211 30.300 0.093 0.000 1.153 56 R HN 0.731 nan 8.270 nan 0.000 0.515 57 N N -0.837 117.874 118.700 0.017 0.000 2.405 57 N HA -0.002 4.725 4.740 -0.022 0.000 0.274 57 N C -0.061 175.370 175.510 -0.132 0.000 1.170 57 N CA -0.862 52.172 53.050 -0.027 0.000 0.848 57 N CB 1.369 39.879 38.487 0.038 0.000 1.629 57 N HN 0.220 nan 8.380 nan 0.000 0.481 58 E N -0.266 119.792 120.200 -0.236 0.000 2.501 58 E HA -0.186 4.150 4.350 -0.022 0.000 0.203 58 E C -0.112 176.212 176.600 -0.461 0.000 1.072 58 E CA 0.883 57.090 56.400 -0.322 0.000 0.885 58 E CB -0.086 29.416 29.700 -0.331 0.000 0.813 58 E HN 0.655 nan 8.360 nan 0.000 0.556 59 H N -2.201 116.673 119.070 -0.327 0.000 2.547 59 H HA -0.003 4.540 4.556 -0.022 0.000 0.272 59 H C 1.576 176.548 175.328 -0.594 0.000 0.971 59 H CA 1.013 56.729 56.048 -0.553 0.000 1.245 59 H CB 0.847 29.977 29.762 -1.053 0.000 1.440 59 H HN 0.130 nan 8.280 nan 0.000 0.540 60 V N -3.516 116.191 119.914 -0.346 0.000 3.382 60 V HA 0.237 4.344 4.120 -0.022 0.000 0.296 60 V C 0.698 176.705 176.094 -0.146 0.000 1.529 60 V CA 0.411 62.540 62.300 -0.284 0.000 1.048 60 V CB 0.725 32.434 31.823 -0.190 0.000 0.878 60 V HN 0.251 nan 8.190 nan 0.000 0.442 61 D N 2.413 122.735 120.400 -0.129 0.000 4.334 61 D HA -0.298 4.329 4.640 -0.022 0.000 0.183 61 D C 0.217 176.536 176.300 0.032 0.000 0.667 61 D CA 2.865 56.829 54.000 -0.060 0.000 1.106 61 D CB -1.381 39.370 40.800 -0.082 0.000 0.544 61 D HN 0.924 nan 8.370 nan 0.000 0.458 62 Y N -0.502 119.815 120.300 0.028 0.000 2.457 62 Y HA 0.712 5.249 4.550 -0.022 0.000 0.333 62 Y C -0.365 175.582 175.900 0.078 0.000 1.119 62 Y CA -1.169 56.957 58.100 0.043 0.000 1.143 62 Y CB 1.645 40.132 38.460 0.044 0.000 1.230 62 Y HN 0.213 nan 8.280 nan 0.000 0.469 63 V N 2.709 122.745 119.914 0.203 0.000 2.891 63 V HA 0.256 4.363 4.120 -0.022 0.000 0.304 63 V C -1.289 174.895 176.094 0.150 0.000 1.171 63 V CA -0.787 61.615 62.300 0.170 0.000 0.943 63 V CB 1.956 33.874 31.823 0.159 0.000 1.037 63 V HN 0.959 nan 8.190 nan 0.000 0.427 64 D N 2.777 123.269 120.400 0.153 0.000 2.362 64 D HA 0.343 4.970 4.640 -0.022 0.000 0.242 64 D C 0.694 177.024 176.300 0.051 0.000 1.132 64 D CA 0.488 54.539 54.000 0.084 0.000 0.907 64 D CB 1.842 42.671 40.800 0.049 0.000 1.195 64 D HN 0.574 nan 8.370 nan 0.000 0.429 65 V N -1.579 118.391 119.914 0.093 0.000 3.337 65 V HA 0.539 4.646 4.120 -0.022 0.000 0.307 65 V C 0.651 177.041 176.094 0.493 0.000 1.505 65 V CA 0.324 62.753 62.300 0.215 0.000 1.072 65 V CB 0.515 32.401 31.823 0.104 0.000 0.929 65 V HN 0.538 nan 8.190 nan 0.000 0.455 66 G N 0.511 109.487 108.800 0.292 0.000 3.324 66 G HA2 0.497 4.444 3.960 -0.022 0.000 0.188 66 G HA3 0.497 4.444 3.960 -0.022 0.000 0.188 66 G C 0.448 175.284 174.900 -0.107 0.000 1.384 66 G CA -0.024 45.092 45.100 0.027 0.000 0.841 66 G HN 0.714 nan 8.290 nan 0.000 0.758 67 G N 0.430 109.148 108.800 -0.136 0.000 2.298 67 G HA2 0.518 4.465 3.960 -0.022 0.000 0.263 67 G HA3 0.518 4.465 3.960 -0.022 0.000 0.263 67 G C 0.528 175.286 174.900 -0.237 0.000 1.229 67 G CA 1.065 46.053 45.100 -0.187 0.000 0.976 67 G HN 1.098 nan 8.290 nan 0.000 0.459 68 A N 3.144 125.697 122.820 -0.445 0.000 1.975 68 A HA 0.500 4.806 4.320 -0.022 0.000 0.197 68 A C -0.017 177.092 177.584 -0.792 0.000 1.537 68 A CA 0.234 51.837 52.037 -0.723 0.000 0.972 68 A CB 0.510 18.790 19.000 -1.200 0.000 1.019 68 A HN 0.567 nan 8.150 nan 0.000 0.488 69 Y N 0.288 120.426 120.300 -0.271 0.000 2.341 69 Y HA 0.536 5.073 4.550 -0.022 0.000 0.338 69 Y C 0.030 175.722 175.900 -0.348 0.000 0.965 69 Y CA -1.445 56.473 58.100 -0.303 0.000 1.108 69 Y CB 1.698 40.026 38.460 -0.220 0.000 1.180 69 Y HN 0.226 nan 8.280 nan 0.000 0.458 70 V N 0.047 119.797 119.914 -0.273 0.000 3.019 70 V HA 1.139 5.246 4.120 -0.022 0.000 0.317 70 V C -0.105 175.841 176.094 -0.246 0.000 1.094 70 V CA -0.776 61.334 62.300 -0.318 0.000 1.000 70 V CB 1.750 33.319 31.823 -0.422 0.000 1.060 70 V HN 0.966 nan 8.190 nan 0.000 0.443 71 G N 0.456 109.092 108.800 -0.274 0.000 2.579 71 G HA2 0.628 4.575 3.960 -0.022 0.000 0.292 71 G HA3 0.628 4.575 3.960 -0.022 0.000 0.292 71 G C -3.485 171.298 174.900 -0.195 0.000 1.484 71 G CA -1.231 43.746 45.100 -0.205 0.000 0.813 71 G HN 0.676 nan 8.290 nan 0.000 0.515 72 P HA 0.015 nan 4.420 nan 0.000 0.262 72 P C 1.044 178.357 177.300 0.022 0.000 1.151 72 P CA 2.216 65.298 63.100 -0.030 0.000 0.757 72 P CB 0.561 32.259 31.700 -0.003 0.000 0.754 73 T N -0.758 113.823 114.554 0.044 0.000 7.177 73 T HA -0.256 4.081 4.350 -0.022 0.000 0.291 73 T C 0.509 175.279 174.700 0.116 0.000 2.134 73 T CA 0.732 62.920 62.100 0.147 0.000 3.572 73 T CB -2.484 66.564 68.868 0.300 0.000 1.288 73 T HN 0.481 nan 8.240 nan 0.000 0.869 74 Q N 2.197 121.895 119.800 -0.170 0.000 3.179 74 Q HA 0.345 4.672 4.340 -0.022 0.000 0.328 74 Q C 1.425 177.358 176.000 -0.111 0.000 1.336 74 Q CA -0.179 55.421 55.803 -0.339 0.000 0.939 74 Q CB -0.044 28.320 28.738 -0.622 0.000 1.658 74 Q HN 0.601 nan 8.270 nan 0.000 0.486 75 N N 0.942 119.636 118.700 -0.011 0.000 2.058 75 N HA -0.160 4.567 4.740 -0.022 0.000 0.191 75 N C 1.256 176.781 175.510 0.024 0.000 1.037 75 N CA 1.116 54.174 53.050 0.014 0.000 0.848 75 N CB 0.019 38.526 38.487 0.034 0.000 1.021 75 N HN 0.343 nan 8.380 nan 0.000 0.422 76 R N 0.885 121.408 120.500 0.037 0.000 2.179 76 R HA -0.181 4.146 4.340 -0.022 0.000 0.238 76 R C 2.265 178.591 176.300 0.043 0.000 1.119 76 R CA 1.577 57.702 56.100 0.043 0.000 0.915 76 R CB -0.779 29.555 30.300 0.057 0.000 0.870 76 R HN 0.152 nan 8.270 nan 0.000 0.432 77 I N 0.830 121.430 120.570 0.049 0.000 2.194 77 I HA -0.250 3.907 4.170 -0.022 0.000 0.246 77 I C 1.971 178.165 176.117 0.128 0.000 1.093 77 I CA 1.424 62.782 61.300 0.095 0.000 1.355 77 I CB -0.312 37.761 38.000 0.123 0.000 1.046 77 I HN 0.188 nan 8.210 nan 0.000 0.413 78 L N -0.225 121.060 121.223 0.103 0.000 1.976 78 L HA -0.228 4.099 4.340 -0.022 0.000 0.209 78 L C 2.768 179.673 176.870 0.059 0.000 1.071 78 L CA 1.452 56.363 54.840 0.118 0.000 0.746 78 L CB -0.708 41.391 42.059 0.066 0.000 0.890 78 L HN 0.219 nan 8.230 nan 0.000 0.432 79 R N 0.322 120.844 120.500 0.035 0.000 2.179 79 R HA -0.284 4.043 4.340 -0.022 0.000 0.238 79 R C 2.278 178.578 176.300 -0.001 0.000 1.119 79 R CA 2.629 58.739 56.100 0.017 0.000 0.915 79 R CB -1.279 29.033 30.300 0.019 0.000 0.870 79 R HN 0.277 nan 8.270 nan 0.000 0.432 80 L N 1.212 122.436 121.223 0.002 0.000 1.990 80 L HA -0.220 4.106 4.340 -0.022 0.000 0.213 80 L C 2.705 179.533 176.870 -0.070 0.000 1.072 80 L CA 3.004 57.832 54.840 -0.021 0.000 0.755 80 L CB -1.159 40.897 42.059 -0.005 0.000 0.889 80 L HN 0.521 nan 8.230 nan 0.000 0.432 81 S N -0.611 115.021 115.700 -0.113 0.000 2.368 81 S HA -0.381 4.076 4.470 -0.022 0.000 0.226 81 S C 2.209 176.684 174.600 -0.208 0.000 1.044 81 S CA 1.955 59.981 58.200 -0.289 0.000 1.062 81 S CB -0.851 61.984 63.200 -0.608 0.000 0.931 81 S HN 0.608 nan 8.310 nan 0.000 0.440 82 K N 1.098 121.433 120.400 -0.107 0.000 2.044 82 K HA -0.212 4.095 4.320 -0.022 0.000 0.210 82 K C 2.442 179.003 176.600 -0.065 0.000 1.049 82 K CA 1.884 58.132 56.287 -0.065 0.000 0.927 82 K CB -0.394 32.095 32.500 -0.019 0.000 0.713 82 K HN 0.715 nan 8.250 nan 0.000 0.443 83 E N 0.369 120.535 120.200 -0.057 0.000 2.204 83 E HA -0.167 4.170 4.350 -0.022 0.000 0.195 83 E C 1.797 178.361 176.600 -0.059 0.000 0.990 83 E CA 0.743 57.114 56.400 -0.048 0.000 0.821 83 E CB 0.019 29.696 29.700 -0.037 0.000 0.750 83 E HN 0.361 nan 8.360 nan 0.000 0.477 84 L N -0.575 120.598 121.223 -0.084 0.000 2.478 84 L HA 0.125 4.452 4.340 -0.022 0.000 0.223 84 L C 1.329 178.146 176.870 -0.089 0.000 1.140 84 L CA 0.624 55.412 54.840 -0.088 0.000 0.842 84 L CB 0.279 42.270 42.059 -0.113 0.000 0.953 84 L HN 0.378 nan 8.230 nan 0.000 0.452 85 G N 0.581 109.326 108.800 -0.091 0.000 2.167 85 G HA2 -0.211 3.736 3.960 -0.022 0.000 0.194 85 G HA3 -0.211 3.736 3.960 -0.022 0.000 0.194 85 G C -0.019 174.824 174.900 -0.095 0.000 1.027 85 G CA -0.523 44.532 45.100 -0.076 0.000 0.717 85 G HN 0.211 nan 8.290 nan 0.000 0.501 86 I N 0.807 121.291 120.570 -0.142 0.000 2.339 86 I HA 0.382 4.539 4.170 -0.022 0.000 0.290 86 I C 0.308 176.361 176.117 -0.107 0.000 0.994 86 I CA -0.956 60.236 61.300 -0.180 0.000 1.191 86 I CB 1.262 39.041 38.000 -0.368 0.000 1.343 86 I HN -0.045 nan 8.210 nan 0.000 0.458 87 E N 3.988 124.175 120.200 -0.022 0.000 2.342 87 E HA 0.418 4.755 4.350 -0.022 0.000 0.257 87 E C 0.031 176.750 176.600 0.199 0.000 1.150 87 E CA -0.095 56.344 56.400 0.066 0.000 0.926 87 E CB 1.517 31.251 29.700 0.056 0.000 1.074 87 E HN 0.697 nan 8.360 nan 0.000 0.449 88 T N -1.903 112.793 114.554 0.237 0.000 2.910 88 T HA 0.761 5.098 4.350 -0.022 0.000 0.287 88 T C -0.703 174.209 174.700 0.353 0.000 1.050 88 T CA -0.819 61.476 62.100 0.325 0.000 1.011 88 T CB 1.067 70.068 68.868 0.221 0.000 1.195 88 T HN 0.506 nan 8.240 nan 0.000 0.540 89 Y N -1.918 118.432 120.300 0.084 0.000 2.609 89 Y HA 0.682 5.219 4.550 -0.022 0.000 0.336 89 Y C -1.021 174.908 175.900 0.047 0.000 1.129 89 Y CA -1.519 56.620 58.100 0.064 0.000 1.040 89 Y CB 1.353 39.861 38.460 0.080 0.000 1.310 89 Y HN 0.644 nan 8.280 nan 0.000 0.460 90 K N 2.328 122.725 120.400 -0.006 0.000 2.276 90 K HA 0.409 4.715 4.320 -0.022 0.000 0.283 90 K C -0.804 175.704 176.600 -0.154 0.000 1.044 90 K CA -0.633 55.592 56.287 -0.105 0.000 0.944 90 K CB 1.551 34.042 32.500 -0.015 0.000 1.012 90 K HN 0.590 nan 8.250 nan 0.000 0.472 91 V N 4.357 124.137 119.914 -0.223 0.000 2.572 91 V HA -0.071 4.036 4.120 -0.022 0.000 0.291 91 V C 0.788 176.840 176.094 -0.071 0.000 1.039 91 V CA -0.348 61.857 62.300 -0.158 0.000 1.055 91 V CB 0.709 32.409 31.823 -0.205 0.000 0.969 91 V HN 0.783 nan 8.190 nan 0.000 0.482 92 N N 4.114 122.809 118.700 -0.007 0.000 2.447 92 N HA 0.068 4.795 4.740 -0.022 0.000 0.263 92 N C -0.154 175.346 175.510 -0.016 0.000 1.226 92 N CA 0.193 53.253 53.050 0.016 0.000 0.906 92 N CB 1.350 39.879 38.487 0.070 0.000 1.060 92 N HN 0.445 nan 8.380 nan 0.000 0.468 93 V N 2.108 122.012 119.914 -0.018 0.000 3.399 93 V HA -0.040 4.067 4.120 -0.022 0.000 0.357 93 V C 1.670 177.760 176.094 -0.006 0.000 1.480 93 V CA 0.022 62.309 62.300 -0.023 0.000 1.263 93 V CB -0.289 31.497 31.823 -0.062 0.000 1.103 93 V HN 0.749 nan 8.190 nan 0.000 0.533 94 S N 0.741 116.444 115.700 0.004 0.000 2.359 94 S HA -0.139 4.318 4.470 -0.022 0.000 0.224 94 S C 0.757 175.361 174.600 0.006 0.000 1.035 94 S CA 1.170 59.371 58.200 0.002 0.000 1.018 94 S CB -0.052 63.148 63.200 0.001 0.000 0.876 94 S HN 0.689 nan 8.310 nan 0.000 0.448 95 E N 1.076 121.288 120.200 0.019 0.000 2.292 95 E HA 0.498 4.834 4.350 -0.022 0.000 0.258 95 E C 0.067 176.701 176.600 0.057 0.000 1.115 95 E CA -0.798 55.615 56.400 0.022 0.000 0.929 95 E CB 0.416 30.122 29.700 0.010 0.000 1.161 95 E HN 0.309 nan 8.360 nan 0.000 0.453 96 R N 0.252 120.795 120.500 0.072 0.000 2.811 96 R HA 0.136 4.463 4.340 -0.022 0.000 0.265 96 R C -0.520 175.888 176.300 0.181 0.000 1.026 96 R CA -0.166 56.009 56.100 0.124 0.000 1.142 96 R CB -0.116 30.273 30.300 0.147 0.000 1.027 96 R HN 0.208 nan 8.270 nan 0.000 0.465 97 L N 1.671 122.984 121.223 0.151 0.000 2.296 97 L HA 0.274 4.601 4.340 -0.022 0.000 0.286 97 L C -0.434 176.518 176.870 0.138 0.000 1.023 97 L CA -0.490 54.425 54.840 0.125 0.000 0.812 97 L CB 1.883 44.000 42.059 0.097 0.000 1.223 97 L HN 0.334 nan 8.230 nan 0.000 0.421 98 V N 1.742 121.693 119.914 0.061 0.000 2.546 98 V HA 0.517 4.624 4.120 -0.022 0.000 0.284 98 V C -0.073 176.088 176.094 0.112 0.000 1.050 98 V CA -0.709 61.593 62.300 0.003 0.000 0.981 98 V CB 1.226 32.898 31.823 -0.251 0.000 0.990 98 V HN 0.791 nan 8.190 nan 0.000 0.474 99 Q N 3.248 123.168 119.800 0.200 0.000 2.333 99 Q HA 0.424 4.750 4.340 -0.022 0.000 0.268 99 Q C -1.706 174.496 176.000 0.337 0.000 1.007 99 Q CA -0.480 55.507 55.803 0.307 0.000 0.810 99 Q CB 1.468 30.448 28.738 0.403 0.000 1.264 99 Q HN 0.728 nan 8.270 nan 0.000 0.452 100 Y N 4.162 124.542 120.300 0.134 0.000 2.334 100 Y HA 0.740 5.277 4.550 -0.022 0.000 0.336 100 Y C -1.576 174.403 175.900 0.131 0.000 0.960 100 Y CA -0.785 57.363 58.100 0.080 0.000 1.164 100 Y CB 1.147 39.620 38.460 0.021 0.000 1.155 100 Y HN 0.599 nan 8.280 nan 0.000 0.478 101 V N 5.058 124.839 119.914 -0.220 0.000 3.178 101 V HA 0.531 4.638 4.120 -0.022 0.000 0.302 101 V C 0.101 176.053 176.094 -0.237 0.000 1.262 101 V CA -0.192 62.010 62.300 -0.164 0.000 1.030 101 V CB 1.744 33.642 31.823 0.125 0.000 1.074 101 V HN 0.902 nan 8.190 nan 0.000 0.438 102 K N 2.157 122.457 120.400 -0.166 0.000 3.445 102 K HA -0.191 4.116 4.320 -0.022 0.000 0.316 102 K C 1.960 178.462 176.600 -0.164 0.000 1.278 102 K CA 2.662 58.891 56.287 -0.098 0.000 0.976 102 K CB -2.460 30.053 32.500 0.022 0.000 1.238 102 K HN 2.951 nan 8.250 nan 0.000 0.430 103 G N -4.421 104.130 108.800 -0.414 0.000 2.131 103 G HA2 0.407 4.354 3.960 -0.022 0.000 0.223 103 G HA3 0.407 4.354 3.960 -0.022 0.000 0.223 103 G C 0.323 175.179 174.900 -0.074 0.000 0.990 103 G CA 1.536 46.470 45.100 -0.277 0.000 0.671 103 G HN 2.203 nan 8.290 nan 0.000 0.521 104 K N -0.232 120.047 120.400 -0.201 0.000 2.340 104 K HA 0.952 5.259 4.320 -0.022 0.000 0.244 104 K C 0.189 176.629 176.600 -0.266 0.000 0.973 104 K CA 0.178 56.358 56.287 -0.179 0.000 0.828 104 K CB 1.179 33.523 32.500 -0.261 0.000 1.226 104 K HN 1.190 nan 8.250 nan 0.000 0.437 105 T N -0.174 114.181 114.554 -0.333 0.000 2.824 105 T HA 0.677 5.013 4.350 -0.022 0.000 0.280 105 T C -0.902 173.469 174.700 -0.548 0.000 0.995 105 T CA -0.506 61.440 62.100 -0.256 0.000 1.009 105 T CB 0.207 69.026 68.868 -0.081 0.000 0.955 105 T HN 0.409 nan 8.240 nan 0.000 0.452 106 Y N 2.458 122.831 120.300 0.121 0.000 2.338 106 Y HA 0.501 5.038 4.550 -0.022 0.000 0.333 106 Y C -2.563 173.407 175.900 0.116 0.000 0.968 106 Y CA -2.902 55.262 58.100 0.107 0.000 1.123 106 Y CB 2.109 40.634 38.460 0.108 0.000 1.165 106 Y HN 0.484 nan 8.280 nan 0.000 0.452 107 P HA 0.273 nan 4.420 nan 0.000 0.286 107 P C 0.121 177.539 177.300 0.196 0.000 1.261 107 P CA -0.015 63.238 63.100 0.255 0.000 0.821 107 P CB 0.694 32.579 31.700 0.309 0.000 1.013 108 F N -1.167 118.887 119.950 0.174 0.000 2.905 108 F HA 0.015 4.529 4.527 -0.022 0.000 0.291 108 F C 0.283 176.153 175.800 0.117 0.000 1.002 108 F CA 0.321 58.396 58.000 0.124 0.000 0.978 108 F CB -2.777 36.277 39.000 0.091 0.000 1.036 108 F HN 0.924 nan 8.300 nan 0.000 0.820 109 R N 0.560 121.149 120.500 0.148 0.000 2.673 109 R HA 0.906 5.232 4.340 -0.022 0.000 0.281 109 R C 0.835 177.239 176.300 0.173 0.000 0.991 109 R CA 0.126 56.314 56.100 0.147 0.000 0.896 109 R CB 0.636 31.044 30.300 0.180 0.000 1.201 109 R HN 2.380 nan 8.270 nan 0.000 0.457 117 N N 3.898 122.505 118.700 -0.155 0.000 2.497 117 N HA 0.143 4.870 4.740 -0.022 0.000 0.268 117 N C -0.823 174.586 175.510 -0.168 0.000 1.171 117 N CA -0.689 52.242 53.050 -0.198 0.000 0.948 117 N CB 1.446 39.921 38.487 -0.020 0.000 1.069 117 N HN -0.100 nan 8.380 nan 0.000 0.460 118 P HA -0.205 nan 4.420 nan 0.000 0.205 118 P C 1.620 178.940 177.300 0.033 0.000 1.181 118 P CA 1.272 64.321 63.100 -0.084 0.000 0.933 118 P CB -0.080 31.539 31.700 -0.136 0.000 0.775 119 I N -1.169 119.390 120.570 -0.019 0.000 2.381 119 I HA -0.278 3.879 4.170 -0.022 0.000 0.255 119 I C 2.100 178.213 176.117 -0.007 0.000 1.140 119 I CA 1.948 63.230 61.300 -0.029 0.000 1.404 119 I CB -0.626 37.345 38.000 -0.047 0.000 1.075 119 I HN -0.089 nan 8.210 nan 0.000 0.433 120 A N 1.101 123.942 122.820 0.034 0.000 1.841 120 A HA -0.316 3.991 4.320 -0.022 0.000 0.216 120 A C 2.322 179.999 177.584 0.155 0.000 1.199 120 A CA 2.058 54.143 52.037 0.080 0.000 0.621 120 A CB -1.646 17.438 19.000 0.139 0.000 0.835 120 A HN 0.725 nan 8.150 nan 0.000 0.445 121 Y N 0.579 120.922 120.300 0.072 0.000 2.151 121 Y HA -0.243 4.293 4.550 -0.022 0.000 0.284 121 Y C 1.881 177.804 175.900 0.039 0.000 1.166 121 Y CA 1.812 59.945 58.100 0.056 0.000 1.163 121 Y CB -0.506 37.893 38.460 -0.102 0.000 0.974 121 Y HN 0.253 nan 8.280 nan 0.000 0.511 122 L N 0.124 121.184 121.223 -0.271 0.000 1.924 122 L HA -0.319 4.008 4.340 -0.022 0.000 0.222 122 L C 2.405 179.131 176.870 -0.240 0.000 1.081 122 L CA 1.945 56.592 54.840 -0.320 0.000 0.780 122 L CB -0.919 41.039 42.059 -0.167 0.000 0.891 122 L HN 0.155 nan 8.230 nan 0.000 0.434 123 D N -1.430 118.878 120.400 -0.152 0.000 2.200 123 D HA -0.274 4.353 4.640 -0.022 0.000 0.192 123 D C 1.899 178.050 176.300 -0.250 0.000 1.008 123 D CA 1.525 55.430 54.000 -0.158 0.000 0.872 123 D CB -0.180 40.550 40.800 -0.118 0.000 0.923 123 D HN 0.273 nan 8.370 nan 0.000 0.447 124 Y N 0.499 120.597 120.300 -0.337 0.000 2.014 124 Y HA -0.310 4.226 4.550 -0.022 0.000 0.270 124 Y C 2.377 178.007 175.900 -0.450 0.000 1.145 124 Y CA 2.275 60.085 58.100 -0.483 0.000 1.106 124 Y CB -0.544 37.722 38.460 -0.323 0.000 0.968 124 Y HN 0.188 nan 8.280 nan 0.000 0.484 125 N N -0.263 118.380 118.700 -0.095 0.000 2.270 125 N HA -0.187 4.540 4.740 -0.022 0.000 0.181 125 N C 1.356 176.859 175.510 -0.012 0.000 1.016 125 N CA 1.418 54.483 53.050 0.024 0.000 0.870 125 N CB -0.722 37.719 38.487 -0.075 0.000 0.979 125 N HN 0.434 nan 8.380 nan 0.000 0.431 126 N N -0.255 118.375 118.700 -0.117 0.000 2.166 126 N HA -0.189 4.538 4.740 -0.022 0.000 0.186 126 N C 1.633 177.083 175.510 -0.099 0.000 1.019 126 N CA 0.939 53.933 53.050 -0.094 0.000 0.856 126 N CB -0.196 38.224 38.487 -0.112 0.000 0.993 126 N HN 0.318 nan 8.380 nan 0.000 0.426 127 L N 0.355 121.463 121.223 -0.191 0.000 1.933 127 L HA -0.171 4.156 4.340 -0.022 0.000 0.220 127 L C 1.744 178.546 176.870 -0.114 0.000 1.078 127 L CA 1.821 56.508 54.840 -0.256 0.000 0.773 127 L CB -1.309 40.432 42.059 -0.531 0.000 0.890 127 L HN 0.327 nan 8.230 nan 0.000 0.434 128 W N 0.475 121.721 121.300 -0.090 0.000 2.321 128 W HA -0.214 4.433 4.660 -0.022 0.000 0.285 128 W C 2.937 179.430 176.519 -0.044 0.000 1.213 128 W CA 1.775 59.081 57.345 -0.065 0.000 1.205 128 W CB -0.846 28.621 29.460 0.012 0.000 1.134 128 W HN 0.402 nan 8.180 nan 0.000 0.549 129 R N 0.061 120.659 120.500 0.163 0.000 2.075 129 R HA -0.140 4.186 4.340 -0.022 0.000 0.230 129 R C 2.187 178.488 176.300 0.002 0.000 1.140 129 R CA 2.612 58.748 56.100 0.060 0.000 0.928 129 R CB -0.779 29.535 30.300 0.022 0.000 0.834 129 R HN -0.065 nan 8.270 nan 0.000 0.429 130 T N 1.628 116.164 114.554 -0.029 0.000 2.848 130 T HA -0.154 4.183 4.350 -0.022 0.000 0.269 130 T C 1.719 176.373 174.700 -0.077 0.000 1.081 130 T CA 1.471 63.531 62.100 -0.067 0.000 1.125 130 T CB -0.203 68.609 68.868 -0.093 0.000 0.848 130 T HN 0.286 nan 8.240 nan 0.000 0.503 131 I N 0.726 121.276 120.570 -0.033 0.000 2.333 131 I HA -0.075 4.082 4.170 -0.022 0.000 0.246 131 I C 2.198 178.299 176.117 -0.027 0.000 1.106 131 I CA 1.064 62.348 61.300 -0.027 0.000 1.411 131 I CB -0.396 37.625 38.000 0.034 0.000 1.082 131 I HN 0.115 nan 8.210 nan 0.000 0.420 132 D N 1.220 121.613 120.400 -0.010 0.000 2.113 132 D HA -0.105 4.522 4.640 -0.022 0.000 0.206 132 D C 1.826 178.101 176.300 -0.042 0.000 0.979 132 D CA 0.956 54.938 54.000 -0.031 0.000 0.862 132 D CB -0.637 40.145 40.800 -0.030 0.000 1.013 132 D HN 0.187 nan 8.370 nan 0.000 0.455 133 N N 0.484 119.152 118.700 -0.054 0.000 2.310 133 N HA -0.219 4.508 4.740 -0.022 0.000 0.193 133 N C 1.677 177.179 175.510 -0.014 0.000 1.001 133 N CA 0.798 53.820 53.050 -0.046 0.000 0.890 133 N CB -0.172 38.282 38.487 -0.055 0.000 0.972 133 N HN 0.279 nan 8.380 nan 0.000 0.445 134 M N -0.274 119.310 119.600 -0.026 0.000 2.510 134 M HA 0.045 4.512 4.480 -0.022 0.000 0.256 134 M C 1.677 178.051 176.300 0.123 0.000 1.132 134 M CA 0.519 55.813 55.300 -0.011 0.000 1.105 134 M CB 0.370 32.838 32.600 -0.219 0.000 1.375 134 M HN 0.014 nan 8.290 nan 0.000 0.477 135 G N -0.395 108.442 108.800 0.062 0.000 2.887 135 G HA2 -0.046 3.901 3.960 -0.022 0.000 0.211 135 G HA3 -0.046 3.901 3.960 -0.022 0.000 0.211 135 G C 1.343 176.279 174.900 0.061 0.000 1.152 135 G CA -0.049 45.102 45.100 0.085 0.000 0.769 135 G HN 0.326 nan 8.290 nan 0.000 0.541 136 K N 1.038 121.460 120.400 0.036 0.000 2.113 136 K HA -0.141 4.165 4.320 -0.022 0.000 0.208 136 K C 2.017 178.629 176.600 0.020 0.000 1.047 136 K CA 1.589 57.879 56.287 0.006 0.000 0.928 136 K CB -0.046 32.451 32.500 -0.005 0.000 0.716 136 K HN 0.492 nan 8.250 nan 0.000 0.446 137 E N 0.586 120.826 120.200 0.066 0.000 2.512 137 E HA -0.015 4.322 4.350 -0.022 0.000 0.195 137 E C -0.199 176.410 176.600 0.016 0.000 1.083 137 E CA 0.236 56.658 56.400 0.036 0.000 0.873 137 E CB -0.128 29.599 29.700 0.045 0.000 0.897 137 E HN 0.337 nan 8.360 nan 0.000 0.514 138 I N 3.299 123.896 120.570 0.045 0.000 2.307 138 I HA 0.190 4.347 4.170 -0.022 0.000 0.289 138 I C -2.184 173.934 176.117 0.002 0.000 1.021 138 I CA -2.776 58.550 61.300 0.044 0.000 1.224 138 I CB 0.830 38.923 38.000 0.156 0.000 1.376 138 I HN -0.264 nan 8.210 nan 0.000 0.470 139 P HA -0.024 nan 4.420 nan 0.000 0.257 139 P C 1.175 178.433 177.300 -0.071 0.000 1.227 139 P CA 0.095 63.123 63.100 -0.121 0.000 0.981 139 P CB 0.200 31.759 31.700 -0.234 0.000 1.044 140 T N -0.450 114.103 114.554 -0.001 0.000 2.760 140 T HA -0.207 4.130 4.350 -0.022 0.000 0.269 140 T C 0.954 175.729 174.700 0.125 0.000 1.047 140 T CA 1.449 63.630 62.100 0.135 0.000 1.139 140 T CB -0.500 68.350 68.868 -0.031 0.000 0.855 140 T HN 0.190 nan 8.240 nan 0.000 0.471 141 D N 1.622 121.961 120.400 -0.100 0.000 2.350 141 D HA 0.434 5.061 4.640 -0.022 0.000 0.213 141 D C 0.698 176.771 176.300 -0.378 0.000 1.031 141 D CA 0.646 54.541 54.000 -0.174 0.000 0.861 141 D CB 0.413 41.066 40.800 -0.245 0.000 0.926 141 D HN 0.641 nan 8.370 nan 0.000 0.520 142 A N 0.942 123.363 122.820 -0.665 0.000 3.330 142 A HA 0.270 4.577 4.320 -0.022 0.000 0.256 142 A C -2.150 174.530 177.584 -1.507 0.000 1.185 142 A CA -0.684 50.417 52.037 -1.559 0.000 0.940 142 A CB 0.714 19.087 19.000 -1.045 0.000 1.397 142 A HN -0.189 nan 8.150 nan 0.000 0.678 143 P HA -0.112 nan 4.420 nan 0.000 0.226 143 P C 0.866 177.963 177.300 -0.339 0.000 1.153 143 P CA 0.961 63.755 63.100 -0.510 0.000 0.777 143 P CB -0.347 30.991 31.700 -0.603 0.000 0.794 144 W N 0.047 121.277 121.300 -0.116 0.000 3.466 144 W HA 0.386 5.034 4.660 -0.021 0.000 0.323 144 W C 0.620 177.098 176.519 -0.070 0.000 1.264 144 W CA -0.326 56.974 57.345 -0.076 0.000 1.750 144 W CB -1.178 28.245 29.460 -0.061 0.000 1.040 144 W HN -0.043 nan 8.180 nan 0.000 0.742 145 E N 0.374 120.392 120.200 -0.304 0.000 2.758 145 E HA 0.366 4.702 4.350 -0.022 0.000 0.215 145 E C 0.979 177.483 176.600 -0.160 0.000 0.985 145 E CA -0.301 56.000 56.400 -0.165 0.000 1.102 145 E CB 0.215 29.777 29.700 -0.228 0.000 1.042 145 E HN 0.203 nan 8.360 nan 0.000 0.480 146 A N 0.561 123.282 122.820 -0.165 0.000 2.409 146 A HA 0.000 4.307 4.320 -0.022 0.000 0.246 146 A C 1.166 178.630 177.584 -0.200 0.000 1.099 146 A CA 0.030 51.965 52.037 -0.170 0.000 0.789 146 A CB 0.503 19.396 19.000 -0.178 0.000 1.053 146 A HN 0.259 nan 8.150 nan 0.000 0.503 147 Q N -0.105 119.573 119.800 -0.203 0.000 2.002 147 Q HA -0.167 4.160 4.340 -0.022 0.000 0.204 147 Q C 0.846 176.618 176.000 -0.380 0.000 0.988 147 Q CA 2.296 57.962 55.803 -0.228 0.000 0.843 147 Q CB -0.188 28.478 28.738 -0.120 0.000 0.908 147 Q HN 0.859 nan 8.270 nan 0.000 0.420 148 H N -0.619 118.078 119.070 -0.623 0.000 2.704 148 H HA 0.345 4.888 4.556 -0.022 0.000 0.315 148 H C 0.911 175.807 175.328 -0.720 0.000 1.117 148 H CA 0.061 55.659 56.048 -0.749 0.000 1.129 148 H CB 0.272 29.332 29.762 -1.170 0.000 1.439 148 H HN 0.414 nan 8.280 nan 0.000 0.528 149 A N 0.968 123.606 122.820 -0.304 0.000 1.883 149 A HA -0.202 4.105 4.320 -0.022 0.000 0.217 149 A C 2.119 179.697 177.584 -0.010 0.000 1.186 149 A CA 1.590 53.562 52.037 -0.108 0.000 0.624 149 A CB -0.106 18.881 19.000 -0.022 0.000 0.822 149 A HN 0.350 nan 8.150 nan 0.000 0.444 150 D N -0.760 119.619 120.400 -0.034 0.000 2.097 150 D HA -0.155 4.472 4.640 -0.022 0.000 0.195 150 D C 2.014 178.360 176.300 0.076 0.000 0.989 150 D CA 1.713 55.725 54.000 0.020 0.000 0.827 150 D CB -0.141 40.657 40.800 -0.004 0.000 0.966 150 D HN 0.617 nan 8.370 nan 0.000 0.456 151 K N -0.063 120.384 120.400 0.077 0.000 2.057 151 K HA -0.152 4.155 4.320 -0.022 0.000 0.207 151 K C 2.092 178.922 176.600 0.384 0.000 1.049 151 K CA 1.116 57.526 56.287 0.204 0.000 0.931 151 K CB -0.123 32.529 32.500 0.253 0.000 0.714 151 K HN 0.072 nan 8.250 nan 0.000 0.440 152 W N 1.537 122.920 121.300 0.137 0.000 2.436 152 W HA -0.036 4.611 4.660 -0.022 0.000 0.284 152 W C 1.779 178.386 176.519 0.146 0.000 1.225 152 W CA 0.803 58.228 57.345 0.133 0.000 1.271 152 W CB -1.137 28.405 29.460 0.137 0.000 1.114 152 W HN 0.327 nan 8.180 nan 0.000 0.559 153 D N -0.019 120.587 120.400 0.343 0.000 2.269 153 D HA -0.120 4.507 4.640 -0.022 0.000 0.208 153 D C 1.813 178.243 176.300 0.216 0.000 0.963 153 D CA 1.110 55.276 54.000 0.277 0.000 0.864 153 D CB 0.128 41.061 40.800 0.222 0.000 0.936 153 D HN -0.204 nan 8.370 nan 0.000 0.505 154 K N -0.314 120.199 120.400 0.189 0.000 2.314 154 K HA 0.088 4.395 4.320 -0.022 0.000 0.198 154 K C 1.106 177.789 176.600 0.138 0.000 1.045 154 K CA -0.076 56.294 56.287 0.138 0.000 0.988 154 K CB -0.167 32.398 32.500 0.107 0.000 0.783 154 K HN 0.316 nan 8.250 nan 0.000 0.484 155 M N 0.503 120.207 119.600 0.173 0.000 2.157 155 M HA -0.010 4.457 4.480 -0.022 0.000 0.304 155 M C 0.212 176.594 176.300 0.136 0.000 1.171 155 M CA 0.606 55.991 55.300 0.141 0.000 1.157 155 M CB 0.818 33.508 32.600 0.151 0.000 1.403 155 M HN -0.108 nan 8.290 nan 0.000 0.473 156 T N 1.102 115.716 114.554 0.099 0.000 2.912 156 T HA 0.292 4.628 4.350 -0.022 0.000 0.288 156 T C 0.594 175.336 174.700 0.071 0.000 1.030 156 T CA -0.862 61.296 62.100 0.097 0.000 1.020 156 T CB 1.344 70.256 68.868 0.075 0.000 1.056 156 T HN 0.763 nan 8.240 nan 0.000 0.480 157 M N 3.189 122.831 119.600 0.071 0.000 2.144 157 M HA -0.005 4.462 4.480 -0.022 0.000 0.260 157 M C 2.056 178.352 176.300 -0.006 0.000 1.067 157 M CA 1.881 57.181 55.300 -0.000 0.000 1.095 157 M CB -0.622 31.904 32.600 -0.122 0.000 1.365 157 M HN 0.663 nan 8.290 nan 0.000 0.406 158 K N -0.340 120.080 120.400 0.032 0.000 1.985 158 K HA -0.212 4.095 4.320 -0.022 0.000 0.210 158 K C 1.904 178.528 176.600 0.041 0.000 1.047 158 K CA 2.035 58.364 56.287 0.070 0.000 0.932 158 K CB -0.274 32.251 32.500 0.042 0.000 0.716 158 K HN 0.401 nan 8.250 nan 0.000 0.439 159 E N 0.623 120.835 120.200 0.021 0.000 2.068 159 E HA -0.267 4.070 4.350 -0.022 0.000 0.207 159 E C 1.984 178.564 176.600 -0.033 0.000 1.032 159 E CA 2.013 58.411 56.400 -0.003 0.000 0.839 159 E CB -0.231 29.476 29.700 0.011 0.000 0.758 159 E HN 0.179 nan 8.360 nan 0.000 0.457 160 L N 0.715 121.914 121.223 -0.041 0.000 2.017 160 L HA -0.153 4.173 4.340 -0.022 0.000 0.208 160 L C 2.069 178.876 176.870 -0.106 0.000 1.073 160 L CA 1.559 56.345 54.840 -0.090 0.000 0.745 160 L CB -0.278 41.711 42.059 -0.118 0.000 0.894 160 L HN 0.208 nan 8.230 nan 0.000 0.432 161 I N -0.444 120.074 120.570 -0.087 0.000 2.208 161 I HA -0.313 3.844 4.170 -0.022 0.000 0.245 161 I C 2.097 178.132 176.117 -0.137 0.000 1.097 161 I CA 1.486 62.708 61.300 -0.130 0.000 1.363 161 I CB -0.557 37.383 38.000 -0.100 0.000 1.051 161 I HN 0.350 nan 8.210 nan 0.000 0.413 162 D N 0.895 121.251 120.400 -0.073 0.000 2.097 162 D HA -0.188 4.439 4.640 -0.022 0.000 0.195 162 D C 2.145 178.346 176.300 -0.166 0.000 0.989 162 D CA 1.195 55.138 54.000 -0.096 0.000 0.827 162 D CB -0.205 40.562 40.800 -0.054 0.000 0.966 162 D HN 0.266 nan 8.370 nan 0.000 0.456 163 K N 0.432 120.747 120.400 -0.142 0.000 2.020 163 K HA -0.142 4.165 4.320 -0.022 0.000 0.212 163 K C 2.373 178.893 176.600 -0.133 0.000 1.050 163 K CA 0.881 57.078 56.287 -0.150 0.000 0.929 163 K CB -0.255 32.184 32.500 -0.103 0.000 0.714 163 K HN 0.172 nan 8.250 nan 0.000 0.443 164 I N 0.484 120.986 120.570 -0.113 0.000 2.286 164 I HA -0.235 3.922 4.170 -0.022 0.000 0.248 164 I C 1.278 177.381 176.117 -0.023 0.000 1.115 164 I CA 0.324 61.578 61.300 -0.075 0.000 1.392 164 I CB -0.100 37.821 38.000 -0.133 0.000 1.065 164 I HN 0.119 nan 8.210 nan 0.000 0.418 165 C N -0.377 118.862 119.300 -0.102 0.000 2.405 165 C HA 0.126 4.573 4.460 -0.022 0.000 0.365 165 C C 0.810 175.778 174.990 -0.037 0.000 1.233 165 C CA -0.558 58.416 59.018 -0.073 0.000 2.230 165 C CB 0.751 28.369 27.740 -0.204 0.000 2.443 165 C HN 0.514 nan 8.230 nan 0.000 0.556 166 W N 0.442 121.658 121.300 -0.141 0.000 2.968 166 W HA 0.153 4.800 4.660 -0.022 0.000 0.253 166 W C 1.502 177.965 176.519 -0.095 0.000 1.150 166 W CA 0.226 57.511 57.345 -0.100 0.000 1.463 166 W CB -0.661 28.749 29.460 -0.084 0.000 0.906 166 W HN 0.703 nan 8.180 nan 0.000 0.650 167 T N -1.207 113.406 114.554 0.098 0.000 2.904 167 T HA 0.278 4.615 4.350 -0.022 0.000 0.290 167 T C 0.974 175.644 174.700 -0.048 0.000 1.018 167 T CA -0.224 61.886 62.100 0.016 0.000 1.075 167 T CB 2.162 71.019 68.868 -0.019 0.000 0.986 167 T HN -0.060 nan 8.240 nan 0.000 0.523 168 K N 1.001 121.384 120.400 -0.028 0.000 1.965 168 K HA -0.072 4.235 4.320 -0.022 0.000 0.214 168 K C 2.435 178.986 176.600 -0.080 0.000 1.042 168 K CA 1.856 58.123 56.287 -0.034 0.000 0.950 168 K CB -0.962 31.541 32.500 0.006 0.000 0.733 168 K HN 0.878 nan 8.250 nan 0.000 0.441 169 T N 1.153 115.683 114.554 -0.040 0.000 2.327 169 T HA -0.382 3.955 4.350 -0.022 0.000 0.205 169 T C 1.883 176.473 174.700 -0.184 0.000 1.544 169 T CA 2.389 64.467 62.100 -0.036 0.000 1.023 169 T CB -1.193 67.685 68.868 0.017 0.000 0.802 169 T HN 0.482 nan 8.240 nan 0.000 0.450 170 A N 2.013 124.604 122.820 -0.382 0.000 1.902 170 A HA 0.074 4.381 4.320 -0.022 0.000 0.217 170 A C 2.731 179.974 177.584 -0.569 0.000 1.181 170 A CA 3.242 54.841 52.037 -0.730 0.000 0.623 170 A CB -1.359 17.169 19.000 -0.788 0.000 0.818 170 A HN 0.753 nan 8.150 nan 0.000 0.443 171 R N -1.182 119.045 120.500 -0.455 0.000 2.103 171 R HA -0.205 4.122 4.340 -0.022 0.000 0.242 171 R C 2.560 178.243 176.300 -1.028 0.000 1.142 171 R CA 3.166 58.902 56.100 -0.607 0.000 0.960 171 R CB -1.934 28.176 30.300 -0.316 0.000 0.858 171 R HN 0.824 nan 8.270 nan 0.000 0.439 172 R N -0.563 119.662 120.500 -0.458 0.000 2.083 172 R HA 0.003 4.330 4.340 -0.022 0.000 0.237 172 R C 2.322 178.483 176.300 -0.232 0.000 1.137 172 R CA 1.822 57.816 56.100 -0.177 0.000 0.951 172 R CB -1.502 28.810 30.300 0.021 0.000 0.851 172 R HN 0.684 nan 8.270 nan 0.000 0.434 173 F N 1.067 120.821 119.950 -0.326 0.000 2.134 173 F HA -0.041 4.473 4.527 -0.022 0.000 0.299 173 F C 2.899 178.609 175.800 -0.151 0.000 1.097 173 F CA 1.339 59.235 58.000 -0.173 0.000 1.264 173 F CB -0.268 38.576 39.000 -0.260 0.000 1.001 173 F HN 0.372 nan 8.300 nan 0.000 0.479 174 A N -0.661 122.025 122.820 -0.222 0.000 2.032 174 A HA -0.252 4.055 4.320 -0.022 0.000 0.221 174 A C 1.810 179.329 177.584 -0.108 0.000 1.165 174 A CA 1.904 53.769 52.037 -0.287 0.000 0.645 174 A CB -1.170 17.487 19.000 -0.572 0.000 0.807 174 A HN 0.503 nan 8.150 nan 0.000 0.453 175 Y N 0.100 120.390 120.300 -0.017 0.000 2.138 175 Y HA -0.060 4.476 4.550 -0.022 0.000 0.286 175 Y C 2.466 178.366 175.900 0.001 0.000 1.115 175 Y CA 0.773 58.850 58.100 -0.040 0.000 1.105 175 Y CB -1.193 37.228 38.460 -0.065 0.000 1.004 175 Y HN 0.372 nan 8.280 nan 0.000 0.494 176 L N -1.612 119.690 121.223 0.131 0.000 2.187 176 L HA -0.189 4.138 4.340 -0.022 0.000 0.213 176 L C 2.248 179.185 176.870 0.113 0.000 1.100 176 L CA 1.692 56.566 54.840 0.058 0.000 0.765 176 L CB -1.040 40.990 42.059 -0.047 0.000 0.904 176 L HN 0.220 nan 8.230 nan 0.000 0.437 177 F N 1.041 121.000 119.950 0.014 0.000 2.075 177 F HA -0.184 4.330 4.527 -0.022 0.000 0.297 177 F C 2.258 178.137 175.800 0.131 0.000 1.113 177 F CA 2.070 60.117 58.000 0.079 0.000 1.218 177 F CB -0.135 39.014 39.000 0.249 0.000 0.984 177 F HN -0.112 nan 8.300 nan 0.000 0.472 178 V N 1.376 121.602 119.914 0.520 0.000 2.252 178 V HA -0.402 3.704 4.120 -0.022 0.000 0.249 178 V C 2.082 178.258 176.094 0.138 0.000 1.056 178 V CA 2.315 64.723 62.300 0.181 0.000 1.022 178 V CB -1.051 30.637 31.823 -0.225 0.000 0.641 178 V HN 0.389 nan 8.190 nan 0.000 0.445 179 N N 0.299 119.043 118.700 0.073 0.000 2.021 179 N HA -0.178 4.549 4.740 -0.022 0.000 0.198 179 N C 1.720 177.214 175.510 -0.027 0.000 1.041 179 N CA 1.979 55.030 53.050 0.002 0.000 0.862 179 N CB -0.592 37.902 38.487 0.011 0.000 1.048 179 N HN 0.451 nan 8.380 nan 0.000 0.427 180 I N 0.799 121.368 120.570 -0.001 0.000 2.248 180 I HA -0.275 3.882 4.170 -0.022 0.000 0.248 180 I C 1.678 177.797 176.117 0.003 0.000 1.107 180 I CA 1.086 62.375 61.300 -0.018 0.000 1.373 180 I CB -0.205 37.766 38.000 -0.048 0.000 1.055 180 I HN 0.212 nan 8.210 nan 0.000 0.418 181 N N 0.151 118.870 118.700 0.031 0.000 2.336 181 N HA -0.007 4.720 4.740 -0.022 0.000 0.177 181 N C 0.958 176.521 175.510 0.089 0.000 1.018 181 N CA 1.227 54.342 53.050 0.108 0.000 0.878 181 N CB 0.604 39.137 38.487 0.075 0.000 0.997 181 N HN 0.269 nan 8.380 nan 0.000 0.433 182 V N -0.686 119.242 119.914 0.023 0.000 2.838 182 V HA 0.215 4.322 4.120 -0.022 0.000 0.363 182 V C 0.406 176.398 176.094 -0.170 0.000 1.324 182 V CA -0.401 61.890 62.300 -0.015 0.000 1.220 182 V CB -0.509 31.437 31.823 0.206 0.000 1.328 182 V HN 0.227 nan 8.190 nan 0.000 0.595 183 T N -1.960 112.370 114.554 -0.374 0.000 2.914 183 T HA -0.209 4.128 4.350 -0.022 0.000 0.436 183 T C 0.079 174.616 174.700 -0.272 0.000 0.775 183 T CA 1.568 63.442 62.100 -0.377 0.000 2.838 183 T CB -1.633 66.912 68.868 -0.538 0.000 1.395 183 T HN 1.255 nan 8.240 nan 0.000 0.460 184 S N 0.078 115.647 115.700 -0.219 0.000 2.565 184 S HA 0.471 4.928 4.470 -0.022 0.000 0.269 184 S C -1.298 173.202 174.600 -0.167 0.000 1.153 184 S CA -0.925 57.103 58.200 -0.287 0.000 0.835 184 S CB 1.614 64.478 63.200 -0.560 0.000 1.122 184 S HN 0.492 nan 8.310 nan 0.000 0.462 185 E N 2.226 122.342 120.200 -0.139 0.000 2.313 185 E HA 0.266 4.603 4.350 -0.022 0.000 0.276 185 E C -1.720 174.863 176.600 -0.030 0.000 1.031 185 E CA -1.967 54.411 56.400 -0.037 0.000 0.857 185 E CB 0.958 30.697 29.700 0.064 0.000 1.040 185 E HN 0.246 nan 8.360 nan 0.000 0.408 186 P HA -0.237 nan 4.420 nan 0.000 0.211 186 P C 1.263 178.581 177.300 0.030 0.000 1.181 186 P CA 1.789 64.880 63.100 -0.015 0.000 0.929 186 P CB -0.216 31.489 31.700 0.009 0.000 0.789 187 H N 0.057 119.087 119.070 -0.067 0.000 2.538 187 H HA -0.159 4.384 4.556 -0.022 0.000 0.295 187 H C 1.160 176.495 175.328 0.012 0.000 1.095 187 H CA 1.662 57.689 56.048 -0.034 0.000 1.216 187 H CB -0.799 28.926 29.762 -0.062 0.000 1.355 187 H HN 0.300 nan 8.280 nan 0.000 0.567 188 E N 0.512 120.504 120.200 -0.347 0.000 2.276 188 E HA 0.085 4.422 4.350 -0.022 0.000 0.193 188 E C 0.914 177.540 176.600 0.044 0.000 0.983 188 E CA 0.538 56.774 56.400 -0.272 0.000 0.861 188 E CB 0.742 30.318 29.700 -0.206 0.000 0.817 188 E HN 0.400 nan 8.360 nan 0.000 0.485 189 V N -0.978 118.998 119.914 0.104 0.000 2.732 189 V HA 0.401 4.508 4.120 -0.022 0.000 0.310 189 V C 0.186 176.434 176.094 0.258 0.000 1.053 189 V CA -1.139 61.318 62.300 0.260 0.000 0.957 189 V CB 1.771 33.824 31.823 0.384 0.000 1.018 189 V HN -0.001 nan 8.190 nan 0.000 0.452 190 S N 2.669 118.572 115.700 0.339 0.000 2.558 190 S HA 0.311 4.768 4.470 -0.022 0.000 0.291 190 S C 1.389 176.242 174.600 0.421 0.000 1.306 190 S CA 0.321 58.752 58.200 0.386 0.000 1.056 190 S CB 0.686 64.168 63.200 0.471 0.000 0.836 190 S HN 1.775 nan 8.310 nan 0.000 0.504 191 A N 4.774 127.787 122.820 0.321 0.000 1.832 191 A HA -0.007 4.300 4.320 -0.022 0.000 0.214 191 A C 2.093 179.906 177.584 0.382 0.000 1.200 191 A CA 1.579 53.779 52.037 0.271 0.000 0.610 191 A CB -1.188 17.910 19.000 0.163 0.000 0.842 191 A HN 1.011 nan 8.150 nan 0.000 0.444 192 L N -1.406 120.090 121.223 0.456 0.000 1.997 192 L HA -0.230 4.096 4.340 -0.022 0.000 0.216 192 L C 2.220 179.385 176.870 0.491 0.000 1.074 192 L CA 2.743 57.894 54.840 0.517 0.000 0.763 192 L CB -0.815 41.514 42.059 0.449 0.000 0.890 192 L HN 0.655 nan 8.230 nan 0.000 0.434 193 W N -0.493 121.007 121.300 0.333 0.000 2.311 193 W HA -0.323 4.324 4.660 -0.021 0.000 0.326 193 W C 2.509 179.363 176.519 0.558 0.000 1.239 193 W CA 2.384 59.943 57.345 0.358 0.000 1.258 193 W CB -1.002 28.648 29.460 0.317 0.000 1.165 193 W HN 0.287 nan 8.180 nan 0.000 0.466 194 F N 0.773 120.970 119.950 0.411 0.000 2.048 194 F HA -0.379 4.134 4.527 -0.022 0.000 0.296 194 F C 2.322 178.170 175.800 0.079 0.000 1.109 194 F CA 2.724 60.818 58.000 0.155 0.000 1.214 194 F CB -1.209 37.922 39.000 0.218 0.000 0.963 194 F HN -0.119 nan 8.300 nan 0.000 0.491 195 L N -1.516 119.842 121.223 0.224 0.000 2.013 195 L HA -0.278 4.049 4.340 -0.022 0.000 0.212 195 L C 2.353 179.242 176.870 0.032 0.000 1.073 195 L CA 2.124 57.024 54.840 0.101 0.000 0.753 195 L CB -1.119 41.060 42.059 0.202 0.000 0.890 195 L HN 0.528 nan 8.230 nan 0.000 0.432 196 W N -0.576 120.663 121.300 -0.101 0.000 2.436 196 W HA -0.223 4.425 4.660 -0.021 0.000 0.284 196 W C 2.528 178.861 176.519 -0.311 0.000 1.225 196 W CA 1.036 58.270 57.345 -0.186 0.000 1.271 196 W CB -0.317 29.032 29.460 -0.185 0.000 1.114 196 W HN 0.146 nan 8.180 nan 0.000 0.559 197 Y N 0.595 120.425 120.300 -0.784 0.000 2.114 197 Y HA -0.240 4.296 4.550 -0.022 0.000 0.284 197 Y C 2.352 177.704 175.900 -0.914 0.000 1.119 197 Y CA 2.597 59.976 58.100 -1.201 0.000 1.108 197 Y CB -0.713 37.143 38.460 -1.006 0.000 0.995 197 Y HN -0.207 nan 8.280 nan 0.000 0.491 198 V N 1.709 121.426 119.914 -0.328 0.000 2.527 198 V HA -0.360 3.747 4.120 -0.022 0.000 0.255 198 V C 2.403 178.250 176.094 -0.413 0.000 1.081 198 V CA 2.242 64.354 62.300 -0.313 0.000 1.092 198 V CB -0.752 30.878 31.823 -0.321 0.000 0.673 198 V HN 0.392 nan 8.190 nan 0.000 0.470 199 K N 0.945 121.046 120.400 -0.498 0.000 2.021 199 K HA -0.163 4.144 4.320 -0.022 0.000 0.205 199 K C 2.128 178.362 176.600 -0.610 0.000 1.047 199 K CA 1.689 57.706 56.287 -0.450 0.000 0.943 199 K CB -0.148 32.141 32.500 -0.353 0.000 0.725 199 K HN 0.683 nan 8.250 nan 0.000 0.439 200 Q N -0.421 118.842 119.800 -0.895 0.000 2.515 200 Q HA -0.016 4.311 4.340 -0.022 0.000 0.214 200 Q C 0.994 176.362 176.000 -1.053 0.000 0.971 200 Q CA 0.766 56.026 55.803 -0.906 0.000 0.952 200 Q CB -0.651 27.442 28.738 -1.076 0.000 0.999 200 Q HN 0.141 nan 8.270 nan 0.000 0.524 201 C N -0.750 117.878 119.300 -1.119 0.000 3.183 201 C HA 0.676 5.123 4.460 -0.022 0.000 0.285 201 C C 1.473 175.723 174.990 -1.234 0.000 1.313 201 C CA -0.137 57.878 59.018 -1.672 0.000 1.711 201 C CB -0.466 26.412 27.740 -1.436 0.000 2.135 201 C HN 0.766 nan 8.230 nan 0.000 0.651 202 G N 0.681 109.039 108.800 -0.735 0.000 2.132 202 G HA2 0.273 4.220 3.960 -0.022 0.000 0.234 202 G HA3 0.273 4.220 3.960 -0.022 0.000 0.234 202 G C 0.439 175.181 174.900 -0.263 0.000 0.989 202 G CA 0.097 44.941 45.100 -0.426 0.000 0.676 202 G HN 1.763 nan 8.290 nan 0.000 0.522 203 G N -1.603 107.032 108.800 -0.275 0.000 2.764 203 G HA2 0.317 4.264 3.960 -0.022 0.000 0.686 203 G HA3 0.317 4.264 3.960 -0.022 0.000 0.686 203 G C 1.623 176.503 174.900 -0.034 0.000 1.258 203 G CA 0.942 45.961 45.100 -0.134 0.000 0.846 203 G HN 2.367 nan 8.290 nan 0.000 0.596 204 T N -0.631 113.946 114.554 0.038 0.000 2.202 204 T HA -0.449 3.888 4.350 -0.022 0.000 0.191 204 T C 2.828 177.573 174.700 0.075 0.000 1.646 204 T CA 4.561 66.731 62.100 0.117 0.000 0.997 204 T CB -1.879 67.026 68.868 0.061 0.000 0.802 204 T HN 2.610 nan 8.240 nan 0.000 0.437 205 T N 1.021 115.597 114.554 0.036 0.000 2.714 205 T HA -0.260 4.077 4.350 -0.022 0.000 0.268 205 T C 2.076 176.794 174.700 0.029 0.000 1.036 205 T CA 1.726 63.835 62.100 0.016 0.000 1.148 205 T CB -0.567 68.302 68.868 0.003 0.000 0.856 205 T HN 0.491 nan 8.240 nan 0.000 0.462 206 R N 0.790 121.311 120.500 0.035 0.000 2.064 206 R HA 0.219 4.545 4.340 -0.022 0.000 0.228 206 R C 2.623 179.020 176.300 0.161 0.000 1.144 206 R CA 1.261 57.419 56.100 0.097 0.000 0.932 206 R CB -1.216 29.123 30.300 0.065 0.000 0.833 206 R HN 0.443 nan 8.270 nan 0.000 0.429 207 I N -0.091 120.551 120.570 0.120 0.000 2.194 207 I HA -0.269 3.888 4.170 -0.022 0.000 0.246 207 I C 0.900 177.164 176.117 0.245 0.000 1.093 207 I CA 1.315 62.746 61.300 0.218 0.000 1.355 207 I CB 0.095 38.182 38.000 0.145 0.000 1.046 207 I HN 0.003 nan 8.210 nan 0.000 0.413 208 F N 1.440 121.377 119.950 -0.021 0.000 2.739 208 F HA 0.270 4.783 4.527 -0.022 0.000 0.345 208 F C 0.894 176.657 175.800 -0.062 0.000 1.373 208 F CA -1.090 56.861 58.000 -0.082 0.000 1.160 208 F CB -0.151 38.718 39.000 -0.219 0.000 1.137 208 F HN -0.056 nan 8.300 nan 0.000 0.524 209 S N 0.475 116.085 115.700 -0.151 0.000 2.574 209 S HA 0.151 4.608 4.470 -0.022 0.000 0.302 209 S C 0.025 174.408 174.600 -0.362 0.000 1.270 209 S CA 0.143 58.227 58.200 -0.194 0.000 1.040 209 S CB 0.311 63.420 63.200 -0.151 0.000 0.767 209 S HN 1.012 nan 8.310 nan 0.000 0.494 210 V N 2.628 122.403 119.914 -0.231 0.000 3.233 210 V HA -0.144 3.963 4.120 -0.022 0.000 0.449 210 V C 0.866 176.854 176.094 -0.176 0.000 0.681 210 V CA 0.712 62.888 62.300 -0.207 0.000 1.970 210 V CB -2.400 29.281 31.823 -0.237 0.000 2.439 210 V HN 1.166 nan 8.190 nan 0.000 0.492 211 T N 1.603 116.107 114.554 -0.085 0.000 3.056 211 T HA 0.116 4.453 4.350 -0.022 0.000 0.243 211 T C 0.983 175.687 174.700 0.006 0.000 0.995 211 T CA 1.104 63.192 62.100 -0.021 0.000 1.091 211 T CB 0.091 68.956 68.868 -0.005 0.000 0.990 211 T HN 0.598 nan 8.240 nan 0.000 0.464 212 N N 1.028 119.724 118.700 -0.006 0.000 2.480 212 N HA 0.511 5.237 4.740 -0.022 0.000 0.281 212 N C -0.195 175.306 175.510 -0.015 0.000 1.381 212 N CA 0.196 53.248 53.050 0.003 0.000 0.903 212 N CB 1.132 39.627 38.487 0.013 0.000 1.274 212 N HN 0.518 nan 8.380 nan 0.000 0.505 213 G N -1.957 106.819 108.800 -0.040 0.000 2.459 213 G HA2 0.400 4.347 3.960 -0.022 0.000 0.685 213 G HA3 0.400 4.347 3.960 -0.022 0.000 0.685 213 G C -0.136 174.721 174.900 -0.072 0.000 1.303 213 G CA -0.429 44.638 45.100 -0.055 0.000 0.907 213 G HN 0.545 nan 8.290 nan 0.000 0.632 214 G N -0.838 107.913 108.800 -0.082 0.000 2.601 214 G HA2 0.618 4.565 3.960 -0.022 0.000 0.080 214 G HA3 0.618 4.565 3.960 -0.022 0.000 0.080 214 G C -0.745 174.100 174.900 -0.092 0.000 1.046 214 G CA 0.900 45.950 45.100 -0.084 0.000 1.143 214 G HN 1.498 nan 8.290 nan 0.000 0.507 215 Q N 0.910 120.645 119.800 -0.110 0.000 2.786 215 Q HA 0.474 4.801 4.340 -0.022 0.000 0.240 215 Q C -1.278 174.636 176.000 -0.143 0.000 0.928 215 Q CA -0.347 55.390 55.803 -0.110 0.000 0.721 215 Q CB 1.012 29.703 28.738 -0.079 0.000 1.318 215 Q HN 0.423 nan 8.270 nan 0.000 0.474 216 E N 2.365 122.456 120.200 -0.181 0.000 2.221 216 E HA 0.584 4.921 4.350 -0.022 0.000 0.268 216 E C -0.739 175.748 176.600 -0.189 0.000 0.933 216 E CA -0.790 55.489 56.400 -0.202 0.000 0.809 216 E CB 2.048 31.553 29.700 -0.325 0.000 1.190 216 E HN 0.494 nan 8.360 nan 0.000 0.406 217 R N 1.052 121.449 120.500 -0.172 0.000 2.725 217 R HA 0.489 4.816 4.340 -0.022 0.000 0.277 217 R C -0.356 175.789 176.300 -0.259 0.000 0.987 217 R CA -0.796 55.158 56.100 -0.242 0.000 0.901 217 R CB 2.317 32.504 30.300 -0.188 0.000 1.207 217 R HN 0.192 nan 8.270 nan 0.000 0.463 218 K N 1.348 121.492 120.400 -0.427 0.000 2.156 218 K HA 0.411 4.718 4.320 -0.022 0.000 0.250 218 K C -0.810 175.774 176.600 -0.026 0.000 0.955 218 K CA -0.776 55.341 56.287 -0.283 0.000 0.855 218 K CB 1.027 33.443 32.500 -0.141 0.000 1.101 218 K HN 0.204 nan 8.250 nan 0.000 0.434 219 F N 1.318 121.325 119.950 0.095 0.000 2.495 219 F HA 0.045 4.559 4.527 -0.022 0.000 0.365 219 F C 0.589 176.505 175.800 0.194 0.000 1.090 219 F CA -0.752 57.317 58.000 0.115 0.000 1.235 219 F CB 0.403 39.413 39.000 0.016 0.000 1.119 219 F HN 0.050 nan 8.300 nan 0.000 0.562 220 V N 3.513 123.628 119.914 0.335 0.000 2.421 220 V HA 0.389 4.496 4.120 -0.022 0.000 0.271 220 V C 0.843 176.776 176.094 -0.269 0.000 1.031 220 V CA 0.887 63.207 62.300 0.032 0.000 1.032 220 V CB 0.194 32.013 31.823 -0.006 0.000 1.009 220 V HN 1.054 nan 8.190 nan 0.000 0.477 221 G N 3.535 111.799 108.800 -0.895 0.000 2.163 221 G HA2 0.210 4.157 3.960 -0.022 0.000 0.213 221 G HA3 0.210 4.157 3.960 -0.022 0.000 0.213 221 G C 0.613 175.020 174.900 -0.821 0.000 0.991 221 G CA -0.234 44.104 45.100 -1.269 0.000 0.653 221 G HN 2.208 nan 8.290 nan 0.000 0.518 222 G N -1.058 107.497 108.800 -0.408 0.000 2.777 222 G HA2 0.312 4.259 3.960 -0.022 0.000 0.686 222 G HA3 0.312 4.259 3.960 -0.022 0.000 0.686 222 G C 0.817 175.779 174.900 0.103 0.000 1.177 222 G CA 0.808 45.931 45.100 0.038 0.000 0.775 222 G HN 1.929 nan 8.290 nan 0.000 0.613 223 S N 0.459 116.283 115.700 0.207 0.000 2.607 223 S HA 0.213 4.670 4.470 -0.022 0.000 0.224 223 S C 2.336 177.040 174.600 0.174 0.000 0.969 223 S CA 1.300 59.698 58.200 0.329 0.000 0.927 223 S CB 0.311 63.740 63.200 0.382 0.000 0.772 223 S HN 2.106 nan 8.310 nan 0.000 0.533 224 G N 1.425 110.306 108.800 0.135 0.000 2.559 224 G HA2 -0.111 3.835 3.960 -0.022 0.000 0.216 224 G HA3 -0.111 3.835 3.960 -0.022 0.000 0.216 224 G C 1.411 176.350 174.900 0.064 0.000 1.126 224 G CA 0.370 45.547 45.100 0.128 0.000 0.778 224 G HN 0.658 nan 8.290 nan 0.000 0.543 225 Q N -0.013 119.795 119.800 0.014 0.000 2.124 225 Q HA -0.059 4.268 4.340 -0.022 0.000 0.202 225 Q C 2.702 178.661 176.000 -0.069 0.000 0.977 225 Q CA 1.137 56.913 55.803 -0.044 0.000 0.850 225 Q CB -0.272 28.407 28.738 -0.098 0.000 0.901 225 Q HN 0.404 nan 8.270 nan 0.000 0.429 226 V N 0.512 120.373 119.914 -0.088 0.000 2.332 226 V HA -0.281 3.826 4.120 -0.022 0.000 0.248 226 V C 2.240 178.311 176.094 -0.039 0.000 1.055 226 V CA 2.030 64.266 62.300 -0.105 0.000 1.038 226 V CB -0.539 31.234 31.823 -0.084 0.000 0.651 226 V HN 0.290 nan 8.190 nan 0.000 0.450 227 S N -1.035 114.667 115.700 0.003 0.000 2.371 227 S HA -0.158 4.299 4.470 -0.022 0.000 0.224 227 S C 1.957 176.559 174.600 0.003 0.000 1.029 227 S CA 1.396 59.605 58.200 0.015 0.000 0.978 227 S CB -0.133 63.092 63.200 0.042 0.000 0.833 227 S HN 0.692 nan 8.310 nan 0.000 0.466 228 E N 0.781 120.984 120.200 0.005 0.000 2.038 228 E HA -0.119 4.218 4.350 -0.022 0.000 0.195 228 E C 2.414 179.006 176.600 -0.013 0.000 1.000 228 E CA 0.878 57.279 56.400 0.002 0.000 0.803 228 E CB -0.055 29.650 29.700 0.008 0.000 0.750 228 E HN 0.172 nan 8.360 nan 0.000 0.448 229 R N 0.491 120.974 120.500 -0.028 0.000 2.117 229 R HA -0.166 4.161 4.340 -0.022 0.000 0.243 229 R C 2.338 178.620 176.300 -0.029 0.000 1.143 229 R CA 1.158 57.236 56.100 -0.036 0.000 0.968 229 R CB -0.770 29.495 30.300 -0.059 0.000 0.863 229 R HN 0.344 nan 8.270 nan 0.000 0.444 230 I N 0.475 121.029 120.570 -0.026 0.000 2.252 230 I HA -0.235 3.922 4.170 -0.022 0.000 0.245 230 I C 2.702 178.809 176.117 -0.016 0.000 1.102 230 I CA 0.980 62.268 61.300 -0.020 0.000 1.385 230 I CB -0.300 37.691 38.000 -0.016 0.000 1.064 230 I HN 0.127 nan 8.210 nan 0.000 0.414 231 M N 0.471 120.062 119.600 -0.013 0.000 2.260 231 M HA -0.260 4.207 4.480 -0.022 0.000 0.261 231 M C 1.672 177.965 176.300 -0.012 0.000 1.066 231 M CA 1.791 57.083 55.300 -0.014 0.000 1.082 231 M CB -0.387 32.207 32.600 -0.010 0.000 1.388 231 M HN 0.281 nan 8.290 nan 0.000 0.419 232 D N 0.344 120.737 120.400 -0.012 0.000 2.081 232 D HA -0.173 4.454 4.640 -0.022 0.000 0.194 232 D C 1.972 178.266 176.300 -0.010 0.000 0.986 232 D CA 1.279 55.273 54.000 -0.010 0.000 0.837 232 D CB -0.412 40.380 40.800 -0.013 0.000 0.985 232 D HN 0.359 nan 8.370 nan 0.000 0.448 233 L N 0.565 121.780 121.223 -0.013 0.000 2.171 233 L HA -0.234 4.093 4.340 -0.022 0.000 0.216 233 L C 2.452 179.320 176.870 -0.005 0.000 1.084 233 L CA 1.127 55.960 54.840 -0.010 0.000 0.771 233 L CB -0.433 41.618 42.059 -0.013 0.000 0.890 233 L HN 0.123 nan 8.230 nan 0.000 0.437 234 L N -2.380 118.840 121.223 -0.006 0.000 2.357 234 L HA 0.210 4.537 4.340 -0.022 0.000 0.211 234 L C 1.760 178.630 176.870 0.001 0.000 1.075 234 L CA 0.561 55.401 54.840 -0.001 0.000 0.830 234 L CB -0.397 41.656 42.059 -0.010 0.000 0.996 234 L HN 0.382 nan 8.230 nan 0.000 0.467 235 G N 2.003 110.801 108.800 -0.004 0.000 2.601 235 G HA2 -0.466 3.480 3.960 -0.022 0.000 0.306 235 G HA3 -0.466 3.480 3.960 -0.022 0.000 0.306 235 G C 0.562 175.460 174.900 -0.002 0.000 1.172 235 G CA 0.661 45.760 45.100 -0.001 0.000 0.966 235 G HN 0.495 nan 8.290 nan 0.000 0.542 236 D N 1.008 121.412 120.400 0.008 0.000 2.363 236 D HA 0.059 4.686 4.640 -0.022 0.000 0.220 236 D C 2.058 178.358 176.300 0.001 0.000 0.994 236 D CA 1.502 55.508 54.000 0.010 0.000 0.890 236 D CB -0.430 40.386 40.800 0.025 0.000 0.906 236 D HN 0.677 nan 8.370 nan 0.000 0.530 237 Q N 0.007 119.809 119.800 0.004 0.000 2.515 237 Q HA 0.077 4.404 4.340 -0.022 0.000 0.212 237 Q C -0.075 175.851 176.000 -0.124 0.000 0.970 237 Q CA 0.310 56.101 55.803 -0.021 0.000 0.941 237 Q CB 0.739 29.498 28.738 0.036 0.000 0.998 237 Q HN 0.212 nan 8.270 nan 0.000 0.518 238 V N 1.938 121.795 119.914 -0.095 0.000 2.347 238 V HA 0.177 4.284 4.120 -0.022 0.000 0.280 238 V C -0.253 175.771 176.094 -0.117 0.000 1.021 238 V CA -0.483 61.745 62.300 -0.120 0.000 0.847 238 V CB 1.501 33.281 31.823 -0.072 0.000 0.990 238 V HN 0.049 nan 8.190 nan 0.000 0.444 239 K N 5.384 125.672 120.400 -0.186 0.000 2.183 239 K HA 0.631 4.938 4.320 -0.022 0.000 0.274 239 K C -0.666 175.915 176.600 -0.032 0.000 1.009 239 K CA -0.389 55.809 56.287 -0.149 0.000 0.888 239 K CB 1.705 33.956 32.500 -0.416 0.000 1.078 239 K HN 0.474 nan 8.250 nan 0.000 0.459 240 L N 1.809 123.074 121.223 0.070 0.000 2.544 240 L HA 0.249 4.576 4.340 -0.022 0.000 0.256 240 L C 0.225 177.172 176.870 0.128 0.000 1.097 240 L CA -0.550 54.324 54.840 0.056 0.000 0.812 240 L CB 0.483 42.548 42.059 0.011 0.000 1.440 240 L HN 0.754 nan 8.230 nan 0.000 0.496 241 N N -0.319 118.371 118.700 -0.017 0.000 2.707 241 N HA -0.241 4.486 4.740 -0.022 0.000 0.253 241 N C -1.048 174.345 175.510 -0.194 0.000 0.998 241 N CA 0.461 53.446 53.050 -0.109 0.000 0.751 241 N CB -1.124 37.299 38.487 -0.106 0.000 0.920 241 N HN 0.460 nan 8.380 nan 0.000 0.539 242 H N -1.605 117.405 119.070 -0.101 0.000 2.607 242 H HA 0.292 4.834 4.556 -0.023 0.000 0.248 242 H C -2.614 172.669 175.328 -0.075 0.000 1.355 242 H CA -1.587 54.430 56.048 -0.052 0.000 1.524 242 H CB 0.996 30.747 29.762 -0.017 0.000 1.563 242 H HN 0.041 nan 8.280 nan 0.000 0.509 243 P HA 0.014 nan 4.420 nan 0.000 0.271 243 P C -0.424 176.908 177.300 0.053 0.000 1.220 243 P CA -0.167 62.945 63.100 0.019 0.000 0.768 243 P CB 1.204 32.949 31.700 0.075 0.000 0.848 244 V N 3.297 123.230 119.914 0.032 0.000 2.427 244 V HA 0.370 4.477 4.120 -0.022 0.000 0.286 244 V C 1.254 177.297 176.094 -0.085 0.000 1.034 244 V CA 0.276 62.581 62.300 0.007 0.000 0.893 244 V CB 1.229 33.053 31.823 0.002 0.000 0.982 244 V HN 0.759 nan 8.190 nan 0.000 0.452 245 T N 0.364 114.832 114.554 -0.142 0.000 3.041 245 T HA 0.304 4.641 4.350 -0.022 0.000 0.276 245 T C 0.073 174.330 174.700 -0.739 0.000 0.948 245 T CA 0.072 61.941 62.100 -0.385 0.000 0.885 245 T CB 0.006 68.682 68.868 -0.320 0.000 1.175 245 T HN 0.696 nan 8.240 nan 0.000 0.529 246 H N -0.573 118.469 119.070 -0.047 0.000 3.038 246 H HA 0.655 5.202 4.556 -0.014 0.000 0.362 246 H C -1.314 173.966 175.328 -0.080 0.000 1.167 246 H CA -0.850 55.177 56.048 -0.035 0.000 1.197 246 H CB 2.464 32.260 29.762 0.056 0.000 1.840 246 H HN 0.022 nan 8.280 nan 0.000 0.540 247 V N 1.760 121.674 119.914 0.001 0.000 2.464 247 V HA 0.050 4.157 4.120 -0.022 0.000 0.255 247 V C -0.240 175.924 176.094 0.116 0.000 0.946 247 V CA -0.614 61.697 62.300 0.018 0.000 0.988 247 V CB 0.674 32.437 31.823 -0.100 0.000 1.210 247 V HN 0.787 nan 8.190 nan 0.000 0.523 248 D N 2.338 122.815 120.400 0.128 0.000 2.359 248 D HA -0.033 4.594 4.640 -0.022 0.000 0.273 248 D C 0.925 177.286 176.300 0.101 0.000 1.362 248 D CA 0.597 54.667 54.000 0.115 0.000 1.010 248 D CB 0.823 41.676 40.800 0.089 0.000 1.090 248 D HN 0.521 nan 8.370 nan 0.000 0.521 249 Q N 2.454 122.319 119.800 0.110 0.000 2.222 249 Q HA -0.006 4.320 4.340 -0.022 0.000 0.206 249 Q C 1.215 177.245 176.000 0.049 0.000 0.877 249 Q CA -0.173 55.680 55.803 0.084 0.000 0.958 249 Q CB 0.370 29.172 28.738 0.108 0.000 1.075 249 Q HN 0.562 nan 8.270 nan 0.000 0.483 250 S N -0.242 115.487 115.700 0.048 0.000 2.355 250 S HA -0.070 4.387 4.470 -0.022 0.000 0.210 250 S C 1.240 175.850 174.600 0.016 0.000 1.035 250 S CA 0.730 58.949 58.200 0.031 0.000 1.011 250 S CB -0.689 62.530 63.200 0.031 0.000 1.000 250 S HN 0.392 nan 8.310 nan 0.000 0.423 251 S N 2.539 118.247 115.700 0.014 0.000 2.608 251 S HA 0.184 4.641 4.470 -0.022 0.000 0.261 251 S C 0.486 175.087 174.600 0.002 0.000 1.314 251 S CA 0.097 58.300 58.200 0.006 0.000 0.992 251 S CB 0.378 63.581 63.200 0.005 0.000 0.935 251 S HN 0.587 nan 8.310 nan 0.000 0.564 252 D N -0.271 120.127 120.400 -0.004 0.000 2.393 252 D HA -0.112 4.515 4.640 -0.022 0.000 0.220 252 D C 0.111 176.407 176.300 -0.006 0.000 0.974 252 D CA 0.761 54.753 54.000 -0.012 0.000 0.931 252 D CB -0.565 40.231 40.800 -0.008 0.000 0.889 252 D HN 0.379 nan 8.370 nan 0.000 0.512 253 N N 0.419 119.125 118.700 0.010 0.000 2.476 253 N HA 0.250 4.977 4.740 -0.022 0.000 0.257 253 N C -0.841 174.692 175.510 0.039 0.000 0.970 253 N CA -0.617 52.449 53.050 0.028 0.000 0.938 253 N CB 0.740 39.248 38.487 0.034 0.000 1.144 253 N HN 0.064 nan 8.380 nan 0.000 0.500 254 I N 3.645 124.243 120.570 0.046 0.000 2.598 254 I HA 0.066 4.223 4.170 -0.022 0.000 0.284 254 I C 0.547 176.725 176.117 0.102 0.000 1.140 254 I CA 0.282 61.623 61.300 0.068 0.000 1.420 254 I CB 0.557 38.602 38.000 0.074 0.000 1.387 254 I HN 0.297 nan 8.210 nan 0.000 0.553 255 I N 7.735 128.367 120.570 0.105 0.000 2.328 255 I HA 0.273 4.430 4.170 -0.022 0.000 0.287 255 I C -0.260 175.954 176.117 0.163 0.000 1.012 255 I CA -0.600 60.781 61.300 0.135 0.000 1.195 255 I CB 1.014 39.077 38.000 0.105 0.000 1.350 255 I HN 0.374 nan 8.210 nan 0.000 0.464 256 I N 6.304 126.991 120.570 0.195 0.000 2.499 256 I HA 0.321 4.478 4.170 -0.022 0.000 0.296 256 I C 0.240 176.464 176.117 0.179 0.000 0.992 256 I CA -0.125 61.287 61.300 0.187 0.000 1.297 256 I CB 0.954 39.085 38.000 0.218 0.000 1.410 256 I HN 0.528 nan 8.210 nan 0.000 0.507 257 E N 2.527 122.808 120.200 0.136 0.000 2.288 257 E HA 0.625 4.962 4.350 -0.022 0.000 0.268 257 E C -1.119 175.538 176.600 0.096 0.000 0.885 257 E CA -0.625 55.786 56.400 0.019 0.000 0.767 257 E CB 1.671 31.379 29.700 0.014 0.000 1.220 257 E HN 0.759 nan 8.360 nan 0.000 0.427 258 T N 0.288 114.873 114.554 0.051 0.000 2.919 258 T HA 0.248 4.585 4.350 -0.022 0.000 0.282 258 T C 0.932 175.679 174.700 0.079 0.000 1.020 258 T CA -0.812 61.357 62.100 0.115 0.000 0.994 258 T CB 0.883 69.892 68.868 0.235 0.000 1.180 258 T HN 0.385 nan 8.240 nan 0.000 0.566 259 L N 1.436 122.672 121.223 0.020 0.000 1.976 259 L HA -0.010 4.317 4.340 -0.022 0.000 0.209 259 L C 2.119 178.836 176.870 -0.254 0.000 1.071 259 L CA 2.151 56.955 54.840 -0.061 0.000 0.746 259 L CB -1.368 40.660 42.059 -0.052 0.000 0.890 259 L HN 0.894 nan 8.230 nan 0.000 0.432 260 N N -0.607 117.963 118.700 -0.217 0.000 2.626 260 N HA -0.213 4.514 4.740 -0.022 0.000 0.193 260 N C -0.171 175.217 175.510 -0.204 0.000 1.213 260 N CA 0.793 53.685 53.050 -0.263 0.000 0.914 260 N CB -1.041 37.335 38.487 -0.186 0.000 0.994 260 N HN 0.764 nan 8.380 nan 0.000 0.447 261 H N -1.564 117.479 119.070 -0.045 0.000 2.839 261 H HA -0.146 4.402 4.556 -0.014 0.000 0.298 261 H C -0.803 174.437 175.328 -0.147 0.000 1.224 261 H CA 0.538 56.512 56.048 -0.122 0.000 1.144 261 H CB -1.877 27.861 29.762 -0.039 0.000 1.372 261 H HN 0.479 nan 8.280 nan 0.000 0.408 262 E N 1.648 121.829 120.200 -0.032 0.000 2.081 262 E HA 0.142 4.479 4.350 -0.022 0.000 0.281 262 E C 0.032 176.319 176.600 -0.523 0.000 0.986 262 E CA -0.479 55.843 56.400 -0.130 0.000 0.796 262 E CB 0.614 30.392 29.700 0.131 0.000 1.085 262 E HN 0.342 nan 8.360 nan 0.000 0.398 263 H N 2.831 121.608 119.070 -0.489 0.000 2.509 263 H HA 0.302 4.844 4.556 -0.023 0.000 0.359 263 H C -0.721 174.044 175.328 -0.938 0.000 1.253 263 H CA -0.100 55.668 56.048 -0.467 0.000 1.373 263 H CB 0.820 30.471 29.762 -0.184 0.000 1.555 263 H HN 0.476 nan 8.280 nan 0.000 0.586 264 Y N -0.944 119.493 120.300 0.228 0.000 2.609 264 Y HA 0.242 4.781 4.550 -0.019 0.000 0.336 264 Y C -0.387 175.623 175.900 0.183 0.000 1.129 264 Y CA -0.946 57.271 58.100 0.195 0.000 1.040 264 Y CB 1.693 40.218 38.460 0.108 0.000 1.310 264 Y HN 0.498 nan 8.280 nan 0.000 0.460 265 E N 1.400 121.819 120.200 0.365 0.000 2.248 265 E HA 0.703 5.040 4.350 -0.022 0.000 0.267 265 E C -1.228 175.527 176.600 0.258 0.000 0.877 265 E CA -0.795 55.754 56.400 0.249 0.000 0.759 265 E CB 2.340 32.146 29.700 0.176 0.000 1.182 265 E HN 0.790 nan 8.360 nan 0.000 0.418 266 C N 0.133 119.550 119.300 0.194 0.000 3.316 266 C HA 0.518 4.965 4.460 -0.022 0.000 0.360 266 C C 0.275 175.334 174.990 0.114 0.000 1.560 266 C CA -0.630 58.500 59.018 0.187 0.000 1.229 266 C CB 1.193 29.058 27.740 0.208 0.000 1.823 266 C HN 0.871 nan 8.230 nan 0.000 0.440 267 K N -0.857 119.611 120.400 0.113 0.000 2.391 267 K HA 0.269 4.576 4.320 -0.022 0.000 0.197 267 K C -1.005 175.421 176.600 -0.289 0.000 1.087 267 K CA 0.530 56.784 56.287 -0.054 0.000 1.012 267 K CB 0.545 33.049 32.500 0.008 0.000 0.925 267 K HN 0.685 nan 8.250 nan 0.000 0.547 268 Y N 0.495 120.868 120.300 0.121 0.000 2.433 268 Y HA 0.297 4.835 4.550 -0.020 0.000 0.337 268 Y C -0.202 175.782 175.900 0.140 0.000 1.026 268 Y CA -1.119 57.071 58.100 0.149 0.000 1.037 268 Y CB 1.899 40.452 38.460 0.156 0.000 1.245 268 Y HN -0.348 nan 8.280 nan 0.000 0.443 269 V N 4.053 124.139 119.914 0.287 0.000 3.211 269 V HA 0.517 4.624 4.120 -0.022 0.000 0.319 269 V C -0.384 175.875 176.094 0.275 0.000 1.096 269 V CA -0.915 61.524 62.300 0.232 0.000 1.029 269 V CB 2.153 34.105 31.823 0.216 0.000 1.137 269 V HN 0.614 nan 8.190 nan 0.000 0.453 270 I N 1.720 122.429 120.570 0.232 0.000 2.571 270 I HA 0.263 4.420 4.170 -0.022 0.000 0.286 270 I C -0.635 175.644 176.117 0.269 0.000 1.134 270 I CA -0.301 61.152 61.300 0.255 0.000 1.052 270 I CB 1.779 39.880 38.000 0.170 0.000 1.237 270 I HN 0.705 nan 8.210 nan 0.000 0.435 271 N N 4.467 123.416 118.700 0.414 0.000 2.430 271 N HA 0.423 5.150 4.740 -0.022 0.000 0.265 271 N C 0.476 176.168 175.510 0.303 0.000 1.100 271 N CA 0.181 53.462 53.050 0.385 0.000 0.961 271 N CB 1.287 40.072 38.487 0.498 0.000 1.075 271 N HN 0.728 nan 8.380 nan 0.000 0.478 272 A N 4.493 127.428 122.820 0.193 0.000 2.358 272 A HA 0.199 4.505 4.320 -0.022 0.000 0.223 272 A C 0.781 178.441 177.584 0.128 0.000 1.218 272 A CA -0.426 51.702 52.037 0.153 0.000 0.942 272 A CB -0.321 18.748 19.000 0.114 0.000 1.005 272 A HN 0.776 nan 8.150 nan 0.000 0.514 273 I N -1.159 119.481 120.570 0.116 0.000 2.882 273 I HA 0.371 4.528 4.170 -0.022 0.000 0.286 273 I C -2.463 173.712 176.117 0.097 0.000 1.139 273 I CA -1.906 59.456 61.300 0.105 0.000 1.379 273 I CB 0.542 38.599 38.000 0.096 0.000 1.410 273 I HN -0.072 nan 8.210 nan 0.000 0.594 274 P HA 0.289 nan 4.420 nan 0.000 0.276 274 P C -2.386 174.938 177.300 0.040 0.000 1.252 274 P CA -1.602 61.552 63.100 0.091 0.000 0.802 274 P CB 0.105 31.875 31.700 0.116 0.000 1.035 275 P HA -0.145 nan 4.420 nan 0.000 0.218 275 P C 1.727 178.983 177.300 -0.074 0.000 1.149 275 P CA 1.822 64.887 63.100 -0.057 0.000 0.817 275 P CB -0.375 31.291 31.700 -0.057 0.000 0.785 276 T N -1.165 113.360 114.554 -0.048 0.000 2.737 276 T HA -0.075 4.262 4.350 -0.022 0.000 0.265 276 T C 1.672 176.347 174.700 -0.042 0.000 1.038 276 T CA 1.077 63.141 62.100 -0.060 0.000 1.144 276 T CB -0.850 67.991 68.868 -0.045 0.000 0.866 276 T HN -0.049 nan 8.240 nan 0.000 0.434 277 L N 0.731 121.948 121.223 -0.010 0.000 2.217 277 L HA 0.037 4.364 4.340 -0.022 0.000 0.211 277 L C 2.969 179.842 176.870 0.006 0.000 1.107 277 L CA 1.220 56.061 54.840 0.003 0.000 0.783 277 L CB -1.191 40.898 42.059 0.050 0.000 0.919 277 L HN 0.292 nan 8.230 nan 0.000 0.442 278 T N 0.705 115.264 114.554 0.008 0.000 2.652 278 T HA -0.209 4.128 4.350 -0.022 0.000 0.267 278 T C 2.169 176.911 174.700 0.070 0.000 1.039 278 T CA 1.511 63.634 62.100 0.039 0.000 1.153 278 T CB -0.361 68.466 68.868 -0.068 0.000 0.863 278 T HN 0.438 nan 8.240 nan 0.000 0.428 279 A N 1.445 124.253 122.820 -0.021 0.000 1.997 279 A HA -0.189 4.118 4.320 -0.022 0.000 0.221 279 A C 2.168 179.745 177.584 -0.012 0.000 1.172 279 A CA 1.916 53.934 52.037 -0.032 0.000 0.645 279 A CB -0.624 18.324 19.000 -0.087 0.000 0.813 279 A HN 0.469 nan 8.150 nan 0.000 0.454 280 K N -0.780 119.592 120.400 -0.045 0.000 2.504 280 K HA 0.093 4.400 4.320 -0.022 0.000 0.195 280 K C -0.190 176.268 176.600 -0.236 0.000 1.036 280 K CA -0.015 56.203 56.287 -0.115 0.000 0.984 280 K CB -0.284 32.153 32.500 -0.106 0.000 0.788 280 K HN 0.581 nan 8.250 nan 0.000 0.488 281 I N 1.461 121.935 120.570 -0.160 0.000 2.581 281 I HA 0.016 4.173 4.170 -0.022 0.000 0.288 281 I C 0.225 176.127 176.117 -0.358 0.000 1.047 281 I CA -0.655 60.414 61.300 -0.384 0.000 1.374 281 I CB 0.851 38.523 38.000 -0.545 0.000 1.423 281 I HN 0.079 nan 8.210 nan 0.000 0.549 282 H N 5.931 124.867 119.070 -0.223 0.000 2.846 282 H HA 0.249 4.795 4.556 -0.016 0.000 0.278 282 H C -0.954 174.351 175.328 -0.039 0.000 1.117 282 H CA -0.318 55.723 56.048 -0.012 0.000 1.406 282 H CB -0.103 29.735 29.762 0.127 0.000 1.445 282 H HN 0.260 nan 8.280 nan 0.000 0.469 283 F N 1.471 121.517 119.950 0.160 0.000 2.405 283 F HA 0.437 4.950 4.527 -0.023 0.000 0.355 283 F C 1.271 177.150 175.800 0.132 0.000 1.121 283 F CA -0.633 57.450 58.000 0.138 0.000 1.112 283 F CB 0.767 39.830 39.000 0.104 0.000 1.126 283 F HN 0.475 nan 8.300 nan 0.000 0.481 284 R N 4.034 124.694 120.500 0.267 0.000 2.288 284 R HA 0.680 5.007 4.340 -0.022 0.000 0.326 284 R C -3.223 173.167 176.300 0.151 0.000 0.959 284 R CA -2.061 54.146 56.100 0.179 0.000 0.834 284 R CB 0.018 30.393 30.300 0.125 0.000 1.157 284 R HN 0.359 nan 8.270 nan 0.000 0.470 285 P HA 0.179 nan 4.420 nan 0.000 0.279 285 P C -0.633 176.749 177.300 0.137 0.000 1.252 285 P CA -0.644 62.521 63.100 0.109 0.000 0.811 285 P CB 0.706 32.445 31.700 0.066 0.000 1.035 286 E N 0.782 121.048 120.200 0.110 0.000 2.604 286 E HA -0.053 4.284 4.350 -0.022 0.000 0.267 286 E C 0.158 176.768 176.600 0.016 0.000 0.970 286 E CA 0.447 56.900 56.400 0.088 0.000 0.956 286 E CB 0.165 29.898 29.700 0.055 0.000 0.939 286 E HN 0.362 nan 8.360 nan 0.000 0.465 287 L N 4.719 125.893 121.223 -0.081 0.000 2.483 287 L HA 0.098 4.425 4.340 -0.022 0.000 0.276 287 L C -1.657 175.168 176.870 -0.075 0.000 1.213 287 L CA -1.555 53.194 54.840 -0.151 0.000 0.843 287 L CB -0.360 41.499 42.059 -0.332 0.000 1.107 287 L HN 0.295 nan 8.230 nan 0.000 0.487 288 P HA 0.056 nan 4.420 nan 0.000 0.275 288 P C 0.209 177.487 177.300 -0.036 0.000 1.227 288 P CA -0.272 62.809 63.100 -0.030 0.000 0.781 288 P CB 1.237 32.926 31.700 -0.019 0.000 0.906 289 A N 3.302 126.107 122.820 -0.024 0.000 1.940 289 A HA -0.292 4.015 4.320 -0.022 0.000 0.221 289 A C 2.215 179.789 177.584 -0.017 0.000 1.190 289 A CA 2.345 54.367 52.037 -0.025 0.000 0.647 289 A CB -1.497 17.500 19.000 -0.006 0.000 0.821 289 A HN 0.710 nan 8.150 nan 0.000 0.457 290 E N -0.656 119.555 120.200 0.019 0.000 2.086 290 E HA -0.293 4.044 4.350 -0.022 0.000 0.200 290 E C 2.278 178.902 176.600 0.039 0.000 1.012 290 E CA 1.802 58.251 56.400 0.081 0.000 0.812 290 E CB -0.143 29.585 29.700 0.048 0.000 0.743 290 E HN 0.680 nan 8.360 nan 0.000 0.453 291 R N 0.005 120.486 120.500 -0.032 0.000 2.057 291 R HA -0.102 4.225 4.340 -0.022 0.000 0.224 291 R C 2.362 178.565 176.300 -0.162 0.000 1.136 291 R CA 1.123 57.175 56.100 -0.080 0.000 0.968 291 R CB -0.366 29.900 30.300 -0.057 0.000 0.863 291 R HN 0.118 nan 8.270 nan 0.000 0.433 292 N N 0.737 119.347 118.700 -0.150 0.000 2.139 292 N HA -0.268 4.459 4.740 -0.022 0.000 0.199 292 N C 1.487 176.871 175.510 -0.211 0.000 1.003 292 N CA 2.021 54.973 53.050 -0.164 0.000 0.892 292 N CB -0.133 38.286 38.487 -0.112 0.000 1.039 292 N HN 0.341 nan 8.380 nan 0.000 0.461 293 Q N 0.321 119.954 119.800 -0.278 0.000 1.917 293 Q HA -0.129 4.198 4.340 -0.022 0.000 0.205 293 Q C 2.229 177.930 176.000 -0.498 0.000 0.988 293 Q CA 1.064 56.584 55.803 -0.472 0.000 0.851 293 Q CB -1.219 27.002 28.738 -0.861 0.000 0.916 293 Q HN 0.461 nan 8.270 nan 0.000 0.424 294 L N 1.578 122.486 121.223 -0.525 0.000 2.123 294 L HA -0.250 4.077 4.340 -0.022 0.000 0.217 294 L C 2.281 178.959 176.870 -0.320 0.000 1.081 294 L CA 1.840 56.454 54.840 -0.376 0.000 0.772 294 L CB -0.636 41.330 42.059 -0.156 0.000 0.890 294 L HN 0.442 nan 8.230 nan 0.000 0.437 295 I N -3.491 116.918 120.570 -0.268 0.000 2.202 295 I HA -0.261 3.896 4.170 -0.022 0.000 0.242 295 I C 2.388 178.369 176.117 -0.227 0.000 1.091 295 I CA 1.335 62.497 61.300 -0.230 0.000 1.368 295 I CB -0.817 37.053 38.000 -0.217 0.000 1.058 295 I HN 0.230 nan 8.210 nan 0.000 0.410 296 Q N 0.897 120.558 119.800 -0.232 0.000 2.124 296 Q HA -0.072 4.255 4.340 -0.022 0.000 0.202 296 Q C 2.090 177.945 176.000 -0.243 0.000 0.977 296 Q CA 1.497 57.176 55.803 -0.206 0.000 0.850 296 Q CB -0.182 28.441 28.738 -0.191 0.000 0.901 296 Q HN 0.435 nan 8.270 nan 0.000 0.429 297 R N -0.286 120.023 120.500 -0.318 0.000 2.391 297 R HA 0.213 4.540 4.340 -0.022 0.000 0.249 297 R C -0.672 175.359 176.300 -0.448 0.000 0.957 297 R CA -0.106 55.786 56.100 -0.348 0.000 1.093 297 R CB 0.139 30.221 30.300 -0.364 0.000 1.156 297 R HN 0.143 nan 8.270 nan 0.000 0.526 298 L N 1.612 122.572 121.223 -0.438 0.000 2.317 298 L HA 0.509 4.835 4.340 -0.022 0.000 0.281 298 L C -2.319 174.313 176.870 -0.397 0.000 1.024 298 L CA -2.072 52.443 54.840 -0.541 0.000 0.810 298 L CB 1.705 43.454 42.059 -0.517 0.000 1.240 298 L HN -0.077 nan 8.230 nan 0.000 0.427 299 P HA 0.506 nan 4.420 nan 0.000 0.294 299 P C -1.269 176.053 177.300 0.036 0.000 1.325 299 P CA -0.915 62.038 63.100 -0.245 0.000 0.978 299 P CB 1.551 33.064 31.700 -0.312 0.000 1.288 300 M N 0.347 120.048 119.600 0.168 0.000 2.359 300 M HA 0.467 4.934 4.480 -0.022 0.000 0.322 300 M C 1.089 177.539 176.300 0.249 0.000 1.166 300 M CA -0.381 55.063 55.300 0.239 0.000 1.067 300 M CB 0.592 33.288 32.600 0.161 0.000 1.523 300 M HN 0.471 nan 8.290 nan 0.000 0.467 301 G N 0.719 109.611 108.800 0.153 0.000 2.553 301 G HA2 0.598 4.545 3.960 -0.022 0.000 0.278 301 G HA3 0.598 4.545 3.960 -0.022 0.000 0.278 301 G C -1.165 173.723 174.900 -0.020 0.000 1.349 301 G CA -0.435 44.641 45.100 -0.040 0.000 1.037 301 G HN 0.863 nan 8.290 nan 0.000 0.508 302 A N -1.040 121.732 122.820 -0.080 0.000 2.375 302 A HA 0.678 4.985 4.320 -0.022 0.000 0.295 302 A C -0.839 176.744 177.584 -0.002 0.000 1.066 302 A CA -0.459 51.576 52.037 -0.003 0.000 0.722 302 A CB 1.508 20.508 19.000 -0.000 0.000 1.206 302 A HN 1.679 nan 8.150 nan 0.000 0.435 303 V N 0.866 120.840 119.914 0.100 0.000 2.969 303 V HA 0.614 4.721 4.120 -0.022 0.000 0.304 303 V C -0.727 175.541 176.094 0.291 0.000 1.192 303 V CA -0.579 61.821 62.300 0.167 0.000 0.962 303 V CB 1.488 33.408 31.823 0.161 0.000 1.045 303 V HN 0.744 nan 8.190 nan 0.000 0.428 304 I N 2.285 123.025 120.570 0.284 0.000 2.493 304 I HA 0.594 4.751 4.170 -0.022 0.000 0.298 304 I C -0.168 176.171 176.117 0.369 0.000 0.998 304 I CA -0.595 60.881 61.300 0.293 0.000 1.137 304 I CB 2.014 40.130 38.000 0.193 0.000 1.310 304 I HN 0.650 nan 8.210 nan 0.000 0.445 305 K N 4.666 125.275 120.400 0.348 0.000 2.244 305 K HA 0.633 4.939 4.320 -0.022 0.000 0.260 305 K C -1.673 174.957 176.600 0.051 0.000 0.951 305 K CA -0.387 56.062 56.287 0.269 0.000 0.826 305 K CB 1.280 34.007 32.500 0.378 0.000 1.108 305 K HN 0.685 nan 8.250 nan 0.000 0.433 306 C N 5.349 124.605 119.300 -0.073 0.000 2.654 306 C HA 0.352 4.799 4.460 -0.022 0.000 0.315 306 C C -0.699 174.149 174.990 -0.238 0.000 1.054 306 C CA -1.016 57.898 59.018 -0.174 0.000 1.419 306 C CB 0.069 27.802 27.740 -0.010 0.000 1.889 306 C HN 0.809 nan 8.230 nan 0.000 0.447 307 M N 3.800 123.188 119.600 -0.354 0.000 2.220 307 M HA 0.348 4.815 4.480 -0.022 0.000 0.343 307 M C -0.080 176.047 176.300 -0.289 0.000 1.470 307 M CA -0.079 55.016 55.300 -0.342 0.000 1.161 307 M CB 0.188 32.640 32.600 -0.248 0.000 1.737 307 M HN 0.526 nan 8.290 nan 0.000 0.464 308 M N 4.591 124.102 119.600 -0.148 0.000 2.180 308 M HA 0.406 4.873 4.480 -0.022 0.000 0.350 308 M C -1.614 174.611 176.300 -0.126 0.000 1.125 308 M CA -0.145 55.161 55.300 0.010 0.000 1.031 308 M CB 0.619 33.355 32.600 0.226 0.000 1.623 308 M HN 0.504 nan 8.290 nan 0.000 0.451 309 Y N 3.448 123.756 120.300 0.014 0.000 2.453 309 Y HA 0.621 5.158 4.550 -0.022 0.000 0.326 309 Y C -0.948 174.933 175.900 -0.031 0.000 1.186 309 Y CA -0.093 58.072 58.100 0.108 0.000 1.200 309 Y CB 1.337 39.888 38.460 0.152 0.000 1.247 309 Y HN 0.573 nan 8.280 nan 0.000 0.482 310 Y N -0.370 120.209 120.300 0.465 0.000 2.615 310 Y HA 0.271 4.808 4.550 -0.022 0.000 0.341 310 Y C 0.865 176.969 175.900 0.339 0.000 1.089 310 Y CA -1.386 56.977 58.100 0.438 0.000 1.049 310 Y CB 2.028 40.881 38.460 0.655 0.000 1.296 310 Y HN 0.479 nan 8.280 nan 0.000 0.470 311 K N 0.583 121.240 120.400 0.428 0.000 2.021 311 K HA 0.037 4.344 4.320 -0.022 0.000 0.205 311 K C -0.364 176.381 176.600 0.243 0.000 1.047 311 K CA 1.169 57.616 56.287 0.268 0.000 0.943 311 K CB 0.149 32.763 32.500 0.190 0.000 0.725 311 K HN 0.755 nan 8.250 nan 0.000 0.439 312 E N -0.746 119.623 120.200 0.281 0.000 2.242 312 E HA 0.235 4.571 4.350 -0.022 0.000 0.275 312 E C -0.580 176.076 176.600 0.094 0.000 1.002 312 E CA -0.350 56.149 56.400 0.166 0.000 0.841 312 E CB 1.639 31.427 29.700 0.146 0.000 1.109 312 E HN 0.317 nan 8.360 nan 0.000 0.394 313 A N 3.794 126.437 122.820 -0.295 0.000 2.291 313 A HA 0.006 4.313 4.320 -0.022 0.000 0.220 313 A C 1.295 177.903 177.584 -1.627 0.000 1.262 313 A CA -0.010 51.325 52.037 -1.170 0.000 0.867 313 A CB -1.064 17.420 19.000 -0.861 0.000 0.888 313 A HN 0.800 nan 8.150 nan 0.000 0.487 314 F N -0.640 118.912 119.950 -0.663 0.000 2.065 314 F HA -0.461 4.052 4.527 -0.022 0.000 0.286 314 F C 1.792 177.435 175.800 -0.263 0.000 1.072 314 F CA 2.049 59.852 58.000 -0.328 0.000 1.288 314 F CB -1.691 37.244 39.000 -0.108 0.000 0.963 314 F HN 0.550 nan 8.300 nan 0.000 0.496 315 W N 1.347 122.132 121.300 -0.858 0.000 2.325 315 W HA -0.117 4.530 4.660 -0.022 0.000 0.299 315 W C 2.036 178.454 176.519 -0.167 0.000 1.215 315 W CA 1.461 58.550 57.345 -0.426 0.000 1.244 315 W CB -1.025 28.093 29.460 -0.570 0.000 1.140 315 W HN 0.027 nan 8.180 nan 0.000 0.523 316 K N 1.191 121.152 120.400 -0.732 0.000 2.026 316 K HA -0.214 4.093 4.320 -0.022 0.000 0.208 316 K C 2.125 178.564 176.600 -0.267 0.000 1.048 316 K CA 1.943 57.987 56.287 -0.405 0.000 0.929 316 K CB -0.550 31.655 32.500 -0.492 0.000 0.713 316 K HN 0.210 nan 8.250 nan 0.000 0.439 317 K N 1.341 121.581 120.400 -0.267 0.000 2.127 317 K HA -0.203 4.103 4.320 -0.022 0.000 0.208 317 K C 1.633 178.159 176.600 -0.124 0.000 1.047 317 K CA 1.511 57.711 56.287 -0.146 0.000 0.927 317 K CB 0.155 32.607 32.500 -0.080 0.000 0.716 317 K HN -0.063 nan 8.250 nan 0.000 0.450 318 K N 0.108 120.431 120.400 -0.129 0.000 2.361 318 K HA -0.057 4.250 4.320 -0.022 0.000 0.196 318 K C -0.025 176.295 176.600 -0.466 0.000 1.039 318 K CA 0.840 57.012 56.287 -0.192 0.000 1.001 318 K CB 0.150 32.638 32.500 -0.020 0.000 0.795 318 K HN 0.290 nan 8.250 nan 0.000 0.495 319 D N -1.201 118.955 120.400 -0.408 0.000 3.029 319 D HA -0.149 4.478 4.640 -0.022 0.000 0.216 319 D C -1.646 174.380 176.300 -0.458 0.000 1.076 319 D CA 0.331 54.100 54.000 -0.385 0.000 0.833 319 D CB -1.475 39.133 40.800 -0.320 0.000 1.083 319 D HN 0.075 nan 8.370 nan 0.000 0.443 320 Y N -0.414 119.906 120.300 0.034 0.000 2.331 320 Y HA 0.298 4.835 4.550 -0.022 0.000 0.334 320 Y C 1.791 177.763 175.900 0.120 0.000 0.960 320 Y CA -0.956 57.181 58.100 0.060 0.000 1.130 320 Y CB 0.994 39.488 38.460 0.056 0.000 1.164 320 Y HN 0.196 nan 8.280 nan 0.000 0.458 321 C N 0.328 119.758 119.300 0.217 0.000 2.409 321 C HA 0.309 4.756 4.460 -0.022 0.000 0.288 321 C C 1.280 176.400 174.990 0.217 0.000 1.395 321 C CA 0.460 59.578 59.018 0.167 0.000 1.792 321 C CB -1.445 26.342 27.740 0.077 0.000 1.847 321 C HN 1.411 nan 8.230 nan 0.000 0.534 322 G N -0.292 108.592 108.800 0.141 0.000 2.963 322 G HA2 0.104 4.051 3.960 -0.022 0.000 0.262 322 G HA3 0.104 4.051 3.960 -0.022 0.000 0.262 322 G C -0.439 174.310 174.900 -0.253 0.000 1.043 322 G CA 0.071 45.036 45.100 -0.226 0.000 1.223 322 G HN 2.253 nan 8.290 nan 0.000 0.574 323 C N 5.146 124.329 119.300 -0.194 0.000 3.158 323 C HA 0.718 5.165 4.460 -0.022 0.000 0.428 323 C C -0.502 174.432 174.990 -0.095 0.000 0.985 323 C CA -0.323 58.606 59.018 -0.150 0.000 1.240 323 C CB 0.471 28.157 27.740 -0.090 0.000 1.615 323 C HN 1.502 nan 8.230 nan 0.000 0.570 324 M N 4.992 124.535 119.600 -0.094 0.000 2.327 324 M HA 0.634 5.100 4.480 -0.022 0.000 0.298 324 M C -1.517 174.827 176.300 0.073 0.000 1.065 324 M CA -0.568 54.718 55.300 -0.024 0.000 0.916 324 M CB 1.626 34.163 32.600 -0.105 0.000 1.630 324 M HN 0.413 nan 8.290 nan 0.000 0.442 325 I N 4.478 125.143 120.570 0.159 0.000 2.352 325 I HA 0.394 4.551 4.170 -0.022 0.000 0.290 325 I C -0.357 175.864 176.117 0.173 0.000 1.036 325 I CA -0.161 61.258 61.300 0.198 0.000 1.336 325 I CB 0.637 38.821 38.000 0.307 0.000 1.407 325 I HN 0.597 nan 8.210 nan 0.000 0.497 326 I N 6.451 127.106 120.570 0.142 0.000 2.410 326 I HA 0.343 4.500 4.170 -0.022 0.000 0.286 326 I C -0.023 176.162 176.117 0.114 0.000 1.009 326 I CA -0.459 60.955 61.300 0.190 0.000 1.111 326 I CB 1.404 39.531 38.000 0.212 0.000 1.262 326 I HN 0.561 nan 8.210 nan 0.000 0.443 327 E N 7.219 127.466 120.200 0.079 0.000 2.795 327 E HA 0.210 4.547 4.350 -0.022 0.000 0.226 327 E C -1.602 174.998 176.600 -0.000 0.000 1.088 327 E CA -0.294 56.103 56.400 -0.005 0.000 0.812 327 E CB 0.794 30.441 29.700 -0.089 0.000 1.328 327 E HN 0.627 nan 8.360 nan 0.000 0.410 328 D N 3.063 123.483 120.400 0.032 0.000 2.931 328 D HA -0.016 4.611 4.640 -0.022 0.000 0.215 328 D C 0.540 176.868 176.300 0.046 0.000 1.297 328 D CA -0.312 53.700 54.000 0.020 0.000 0.892 328 D CB 1.924 42.730 40.800 0.011 0.000 1.642 328 D HN 0.263 nan 8.370 nan 0.000 0.560 329 E N 2.427 122.642 120.200 0.024 0.000 2.130 329 E HA -0.192 4.145 4.350 -0.022 0.000 0.196 329 E C 0.610 177.229 176.600 0.031 0.000 0.998 329 E CA 2.194 58.606 56.400 0.019 0.000 0.806 329 E CB 0.237 29.938 29.700 0.003 0.000 0.738 329 E HN 0.553 nan 8.360 nan 0.000 0.459 330 D N -0.047 120.380 120.400 0.044 0.000 2.240 330 D HA 0.141 4.768 4.640 -0.022 0.000 0.206 330 D C 0.324 176.662 176.300 0.062 0.000 0.963 330 D CA 0.795 54.822 54.000 0.045 0.000 0.863 330 D CB -0.694 40.132 40.800 0.042 0.000 0.973 330 D HN 0.247 nan 8.370 nan 0.000 0.501 331 A N 2.279 125.157 122.820 0.097 0.000 2.591 331 A HA 0.079 4.385 4.320 -0.022 0.000 0.244 331 A C -1.109 176.529 177.584 0.090 0.000 1.031 331 A CA -0.503 51.603 52.037 0.114 0.000 0.767 331 A CB 0.311 19.419 19.000 0.180 0.000 0.942 331 A HN 0.076 nan 8.150 nan 0.000 0.514 332 P HA -0.014 nan 4.420 nan 0.000 0.215 332 P C 0.396 177.762 177.300 0.111 0.000 1.157 332 P CA 0.688 63.831 63.100 0.072 0.000 0.856 332 P CB -0.031 31.694 31.700 0.041 0.000 0.786 333 I N 0.951 121.603 120.570 0.137 0.000 2.452 333 I HA 0.033 4.190 4.170 -0.022 0.000 0.287 333 I C 1.590 177.818 176.117 0.185 0.000 1.079 333 I CA 0.490 61.908 61.300 0.198 0.000 1.387 333 I CB 0.335 38.523 38.000 0.313 0.000 1.404 333 I HN -0.056 nan 8.210 nan 0.000 0.522 334 S N 5.797 121.611 115.700 0.190 0.000 2.398 334 S HA 0.238 4.695 4.470 -0.022 0.000 0.220 334 S C 0.685 175.388 174.600 0.172 0.000 1.046 334 S CA 0.423 58.718 58.200 0.158 0.000 0.953 334 S CB 0.392 63.675 63.200 0.138 0.000 0.856 334 S HN 0.604 nan 8.310 nan 0.000 0.506 335 I N 0.577 121.288 120.570 0.235 0.000 2.828 335 I HA 0.434 4.591 4.170 -0.022 0.000 0.302 335 I C -1.336 174.866 176.117 0.142 0.000 1.101 335 I CA -0.122 61.312 61.300 0.224 0.000 1.031 335 I CB 2.503 40.693 38.000 0.317 0.000 1.231 335 I HN -0.027 nan 8.210 nan 0.000 0.427 336 T N 6.152 120.724 114.554 0.030 0.000 2.893 336 T HA 0.636 4.973 4.350 -0.022 0.000 0.293 336 T C -0.936 173.667 174.700 -0.161 0.000 1.027 336 T CA -0.409 61.613 62.100 -0.131 0.000 0.988 336 T CB 1.380 70.088 68.868 -0.267 0.000 1.043 336 T HN 0.326 nan 8.240 nan 0.000 0.461 337 L N 1.656 122.747 121.223 -0.221 0.000 2.283 337 L HA 0.616 4.943 4.340 -0.022 0.000 0.259 337 L C -0.637 176.080 176.870 -0.254 0.000 1.027 337 L CA -1.177 53.532 54.840 -0.218 0.000 0.828 337 L CB 2.060 43.985 42.059 -0.222 0.000 1.380 337 L HN 0.544 nan 8.230 nan 0.000 0.425 338 D N -0.371 119.912 120.400 -0.195 0.000 2.256 338 D HA 0.117 4.744 4.640 -0.022 0.000 0.250 338 D C -0.549 175.722 176.300 -0.049 0.000 1.093 338 D CA 0.128 54.033 54.000 -0.159 0.000 0.882 338 D CB 1.452 42.255 40.800 0.005 0.000 1.185 338 D HN 0.424 nan 8.370 nan 0.000 0.437 339 D N 2.094 122.468 120.400 -0.043 0.000 2.650 339 D HA 0.104 4.731 4.640 -0.022 0.000 0.265 339 D C -0.516 175.830 176.300 0.077 0.000 1.339 339 D CA -0.235 53.776 54.000 0.018 0.000 0.816 339 D CB 0.169 40.928 40.800 -0.070 0.000 1.091 339 D HN 0.279 nan 8.370 nan 0.000 0.483 340 T N 1.537 116.184 114.554 0.155 0.000 2.946 340 T HA -0.008 4.329 4.350 -0.022 0.000 0.312 340 T C 0.632 175.423 174.700 0.152 0.000 1.066 340 T CA 0.059 62.271 62.100 0.187 0.000 1.138 340 T CB 0.784 69.785 68.868 0.223 0.000 1.014 340 T HN -0.048 nan 8.240 nan 0.000 0.544 341 K N 3.728 124.181 120.400 0.088 0.000 2.276 341 K HA 0.092 4.399 4.320 -0.022 0.000 0.259 341 K C -1.322 175.296 176.600 0.030 0.000 1.001 341 K CA -1.947 54.347 56.287 0.012 0.000 0.927 341 K CB 0.240 32.687 32.500 -0.088 0.000 0.969 341 K HN 0.344 nan 8.250 nan 0.000 0.490 342 P HA -0.173 nan 4.420 nan 0.000 0.219 342 P C 0.275 177.568 177.300 -0.012 0.000 1.146 342 P CA 1.458 64.496 63.100 -0.103 0.000 0.808 342 P CB 0.144 31.549 31.700 -0.491 0.000 0.779 343 D N -1.893 118.495 120.400 -0.020 0.000 2.491 343 D HA 0.146 4.773 4.640 -0.022 0.000 0.228 343 D C 1.191 177.499 176.300 0.013 0.000 1.183 343 D CA 0.097 54.097 54.000 -0.000 0.000 0.827 343 D CB -0.323 40.473 40.800 -0.007 0.000 0.989 343 D HN 0.190 nan 8.370 nan 0.000 0.494 344 G N 1.347 110.164 108.800 0.028 0.000 2.304 344 G HA2 -0.370 3.577 3.960 -0.022 0.000 0.252 344 G HA3 -0.370 3.577 3.960 -0.022 0.000 0.252 344 G C 0.576 175.499 174.900 0.039 0.000 1.014 344 G CA 0.487 45.605 45.100 0.029 0.000 0.619 344 G HN 0.781 nan 8.290 nan 0.000 0.525 345 S N 0.209 115.930 115.700 0.035 0.000 2.580 345 S HA 0.516 4.973 4.470 -0.022 0.000 0.266 345 S C 1.048 175.699 174.600 0.084 0.000 1.354 345 S CA 0.564 58.790 58.200 0.044 0.000 1.008 345 S CB 0.983 64.195 63.200 0.020 0.000 0.898 345 S HN 1.517 nan 8.310 nan 0.000 0.555 346 L N -1.062 120.228 121.223 0.113 0.000 3.713 346 L HA -0.105 4.222 4.340 -0.022 0.000 0.499 346 L C -2.262 174.779 176.870 0.284 0.000 1.281 346 L CA -0.482 54.475 54.840 0.196 0.000 0.796 346 L CB -1.877 40.278 42.059 0.161 0.000 1.535 346 L HN 0.604 nan 8.230 nan 0.000 0.851 347 P HA 0.261 nan 4.420 nan 0.000 0.267 347 P C 0.020 177.629 177.300 0.515 0.000 1.201 347 P CA 0.766 64.118 63.100 0.418 0.000 0.775 347 P CB 0.917 32.845 31.700 0.380 0.000 0.854 348 A N 1.827 124.923 122.820 0.460 0.000 2.511 348 A HA 0.764 5.071 4.320 -0.022 0.000 0.293 348 A C -1.850 175.588 177.584 -0.245 0.000 1.098 348 A CA -0.286 51.793 52.037 0.070 0.000 0.643 348 A CB 0.738 19.553 19.000 -0.308 0.000 1.302 348 A HN 0.339 nan 8.150 nan 0.000 0.446 349 I N 0.510 120.887 120.570 -0.322 0.000 2.607 349 I HA 0.483 4.640 4.170 -0.022 0.000 0.290 349 I C -0.656 175.298 176.117 -0.271 0.000 1.129 349 I CA -0.062 60.975 61.300 -0.439 0.000 1.042 349 I CB 2.247 39.894 38.000 -0.588 0.000 1.242 349 I HN 0.664 nan 8.210 nan 0.000 0.421 350 M N 5.553 124.987 119.600 -0.277 0.000 2.072 350 M HA 0.646 5.113 4.480 -0.022 0.000 0.331 350 M C -0.392 175.724 176.300 -0.306 0.000 1.004 350 M CA -0.295 54.852 55.300 -0.256 0.000 0.952 350 M CB 0.649 33.123 32.600 -0.209 0.000 1.511 350 M HN 0.722 nan 8.290 nan 0.000 0.422 351 G N 3.444 112.100 108.800 -0.239 0.000 2.597 351 G HA2 0.764 4.711 3.960 -0.022 0.000 0.317 351 G HA3 0.764 4.711 3.960 -0.022 0.000 0.317 351 G C -1.791 172.912 174.900 -0.328 0.000 1.230 351 G CA -0.354 44.642 45.100 -0.173 0.000 0.996 351 G HN 0.554 nan 8.290 nan 0.000 0.490 352 F N 0.420 120.456 119.950 0.143 0.000 2.539 352 F HA 0.401 4.915 4.527 -0.022 0.000 0.328 352 F C -0.161 175.715 175.800 0.127 0.000 1.148 352 F CA -1.267 56.820 58.000 0.145 0.000 0.940 352 F CB 1.958 41.053 39.000 0.159 0.000 1.194 352 F HN 0.130 nan 8.300 nan 0.000 0.438 353 I N 6.874 127.639 120.570 0.325 0.000 2.359 353 I HA 0.617 4.774 4.170 -0.022 0.000 0.294 353 I C -1.376 174.859 176.117 0.196 0.000 0.987 353 I CA -0.900 60.526 61.300 0.212 0.000 1.225 353 I CB 0.928 39.024 38.000 0.159 0.000 1.366 353 I HN 0.544 nan 8.210 nan 0.000 0.466 354 L N 6.055 127.353 121.223 0.126 0.000 2.540 354 L HA 0.968 5.295 4.340 -0.022 0.000 0.256 354 L C 0.119 176.994 176.870 0.008 0.000 1.001 354 L CA -0.003 54.871 54.840 0.057 0.000 0.843 354 L CB 0.584 42.649 42.059 0.011 0.000 1.436 354 L HN 0.836 nan 8.230 nan 0.000 0.410 355 A N 1.140 123.939 122.820 -0.034 0.000 5.195 355 A HA -0.289 4.018 4.320 -0.022 0.000 0.310 355 A C 1.827 179.398 177.584 -0.023 0.000 1.951 355 A CA 2.083 54.085 52.037 -0.058 0.000 0.714 355 A CB -1.628 17.331 19.000 -0.069 0.000 1.301 355 A HN 1.369 nan 8.150 nan 0.000 0.369 356 R N 1.035 121.525 120.500 -0.017 0.000 2.092 356 R HA -0.053 4.273 4.340 -0.022 0.000 0.231 356 R C 1.937 178.242 176.300 0.009 0.000 1.119 356 R CA 2.076 58.174 56.100 -0.003 0.000 0.970 356 R CB -0.464 29.830 30.300 -0.010 0.000 0.864 356 R HN 0.775 nan 8.270 nan 0.000 0.440 357 K N 0.551 120.960 120.400 0.016 0.000 2.097 357 K HA 0.001 4.307 4.320 -0.022 0.000 0.205 357 K C 2.202 178.827 176.600 0.042 0.000 1.050 357 K CA 1.215 57.520 56.287 0.030 0.000 0.938 357 K CB -0.155 32.370 32.500 0.042 0.000 0.718 357 K HN 0.253 nan 8.250 nan 0.000 0.442 358 A N 2.113 124.961 122.820 0.047 0.000 1.978 358 A HA -0.204 4.103 4.320 -0.022 0.000 0.220 358 A C 1.565 179.179 177.584 0.051 0.000 1.170 358 A CA 1.805 53.880 52.037 0.063 0.000 0.636 358 A CB -0.260 18.782 19.000 0.070 0.000 0.810 358 A HN 0.208 nan 8.150 nan 0.000 0.448 359 D N -1.252 119.169 120.400 0.035 0.000 2.249 359 D HA -0.040 4.587 4.640 -0.022 0.000 0.205 359 D C 2.079 178.395 176.300 0.026 0.000 0.962 359 D CA 0.591 54.609 54.000 0.030 0.000 0.860 359 D CB -0.199 40.615 40.800 0.024 0.000 0.955 359 D HN 0.450 nan 8.370 nan 0.000 0.505 360 R N 0.327 120.841 120.500 0.024 0.000 2.090 360 R HA 0.064 4.391 4.340 -0.022 0.000 0.228 360 R C 1.815 178.129 176.300 0.023 0.000 1.110 360 R CA 0.652 56.764 56.100 0.019 0.000 0.973 360 R CB 0.147 30.456 30.300 0.016 0.000 0.869 360 R HN 0.144 nan 8.270 nan 0.000 0.440 361 L N -0.910 120.333 121.223 0.033 0.000 2.693 361 L HA 0.277 4.604 4.340 -0.022 0.000 0.235 361 L C 1.532 178.426 176.870 0.040 0.000 1.127 361 L CA 0.006 54.868 54.840 0.035 0.000 0.914 361 L CB 0.584 42.669 42.059 0.043 0.000 1.193 361 L HN 0.128 nan 8.230 nan 0.000 0.502 362 A N -0.295 122.548 122.820 0.039 0.000 2.275 362 A HA 0.042 4.349 4.320 -0.022 0.000 0.212 362 A C 2.049 179.645 177.584 0.019 0.000 1.201 362 A CA 0.235 52.294 52.037 0.036 0.000 0.843 362 A CB -0.007 19.019 19.000 0.043 0.000 0.873 362 A HN 0.125 nan 8.150 nan 0.000 0.492 363 K N -0.246 120.165 120.400 0.017 0.000 2.217 363 K HA 0.104 4.411 4.320 -0.022 0.000 0.202 363 K C 0.369 176.975 176.600 0.010 0.000 1.051 363 K CA 0.202 56.495 56.287 0.009 0.000 0.952 363 K CB -0.221 32.285 32.500 0.010 0.000 0.736 363 K HN 0.439 nan 8.250 nan 0.000 0.453 364 L N 0.765 121.999 121.223 0.020 0.000 2.472 364 L HA 0.029 4.356 4.340 -0.022 0.000 0.260 364 L C 0.751 177.649 176.870 0.047 0.000 1.209 364 L CA -0.200 54.661 54.840 0.035 0.000 0.817 364 L CB 0.166 42.243 42.059 0.032 0.000 1.106 364 L HN 0.168 nan 8.230 nan 0.000 0.479 365 H N 1.349 120.406 119.070 -0.023 0.000 2.767 365 H HA -0.001 4.542 4.556 -0.022 0.000 0.316 365 H C 0.987 176.287 175.328 -0.047 0.000 1.059 365 H CA 0.030 56.061 56.048 -0.029 0.000 1.461 365 H CB 0.791 30.532 29.762 -0.035 0.000 1.475 365 H HN 0.501 nan 8.280 nan 0.000 0.531 366 K N 2.804 123.309 120.400 0.175 0.000 2.159 366 K HA -0.319 3.988 4.320 -0.022 0.000 0.217 366 K C 1.096 177.708 176.600 0.020 0.000 1.048 366 K CA 2.361 58.737 56.287 0.148 0.000 0.941 366 K CB 0.088 32.673 32.500 0.141 0.000 0.738 366 K HN 0.722 nan 8.250 nan 0.000 0.469 367 E N -0.195 120.068 120.200 0.107 0.000 2.482 367 E HA -0.069 4.268 4.350 -0.022 0.000 0.196 367 E C 1.830 178.319 176.600 -0.186 0.000 1.047 367 E CA 0.691 56.994 56.400 -0.162 0.000 0.869 367 E CB 0.197 29.736 29.700 -0.268 0.000 0.836 367 E HN 0.541 nan 8.360 nan 0.000 0.520 368 I N -0.208 120.297 120.570 -0.109 0.000 2.927 368 I HA -0.033 4.124 4.170 -0.022 0.000 0.268 368 I C 2.365 178.419 176.117 -0.106 0.000 1.153 368 I CA 0.105 61.347 61.300 -0.097 0.000 1.459 368 I CB -0.193 37.783 38.000 -0.041 0.000 1.149 368 I HN -0.026 nan 8.210 nan 0.000 0.443 369 R N 1.591 122.033 120.500 -0.096 0.000 2.080 369 R HA -0.216 4.111 4.340 -0.022 0.000 0.236 369 R C 2.320 178.487 176.300 -0.221 0.000 1.137 369 R CA 1.721 57.761 56.100 -0.101 0.000 0.943 369 R CB -0.375 29.908 30.300 -0.028 0.000 0.846 369 R HN 0.232 nan 8.270 nan 0.000 0.431 370 K N 1.240 121.372 120.400 -0.447 0.000 2.089 370 K HA -0.262 4.045 4.320 -0.022 0.000 0.210 370 K C 2.077 178.468 176.600 -0.349 0.000 1.048 370 K CA 1.856 57.729 56.287 -0.690 0.000 0.926 370 K CB -0.041 31.882 32.500 -0.963 0.000 0.714 370 K HN 0.028 nan 8.250 nan 0.000 0.448 371 K N 0.685 120.935 120.400 -0.249 0.000 1.973 371 K HA -0.148 4.158 4.320 -0.022 0.000 0.210 371 K C 2.009 178.518 176.600 -0.151 0.000 1.045 371 K CA 1.573 57.757 56.287 -0.170 0.000 0.937 371 K CB -0.034 32.388 32.500 -0.131 0.000 0.721 371 K HN 0.040 nan 8.250 nan 0.000 0.438 372 K N 0.683 121.007 120.400 -0.127 0.000 2.052 372 K HA -0.235 4.072 4.320 -0.022 0.000 0.215 372 K C 2.202 178.722 176.600 -0.133 0.000 1.053 372 K CA 2.244 58.472 56.287 -0.098 0.000 0.934 372 K CB -0.582 31.878 32.500 -0.066 0.000 0.717 372 K HN 0.260 nan 8.250 nan 0.000 0.450 373 I N 0.981 121.438 120.570 -0.188 0.000 2.053 373 I HA -0.431 3.726 4.170 -0.022 0.000 0.236 373 I C 2.763 178.601 176.117 -0.464 0.000 1.038 373 I CA 1.453 62.544 61.300 -0.349 0.000 1.304 373 I CB -0.722 37.066 38.000 -0.353 0.000 1.023 373 I HN 0.271 nan 8.210 nan 0.000 0.395 374 C N 1.235 120.334 119.300 -0.335 0.000 2.391 374 C HA -0.206 4.240 4.460 -0.022 0.000 0.276 374 C C 2.731 177.671 174.990 -0.083 0.000 1.217 374 C CA 1.683 60.592 59.018 -0.181 0.000 1.766 374 C CB -1.451 26.234 27.740 -0.091 0.000 2.046 374 C HN 0.607 nan 8.230 nan 0.000 0.475 375 E N 0.647 120.789 120.200 -0.096 0.000 2.204 375 E HA -0.185 4.152 4.350 -0.022 0.000 0.194 375 E C 1.935 178.511 176.600 -0.041 0.000 0.989 375 E CA 0.909 57.274 56.400 -0.058 0.000 0.824 375 E CB -0.447 29.218 29.700 -0.059 0.000 0.756 375 E HN 0.556 nan 8.360 nan 0.000 0.477 376 L N 1.088 122.278 121.223 -0.055 0.000 1.937 376 L HA -0.190 4.137 4.340 -0.022 0.000 0.213 376 L C 2.302 179.200 176.870 0.047 0.000 1.077 376 L CA 1.822 56.648 54.840 -0.023 0.000 0.758 376 L CB -1.185 40.878 42.059 0.007 0.000 0.888 376 L HN 0.155 nan 8.230 nan 0.000 0.433 377 Y N -0.111 120.150 120.300 -0.064 0.000 2.219 377 Y HA -0.394 4.143 4.550 -0.022 0.000 0.283 377 Y C 2.501 178.383 175.900 -0.030 0.000 1.191 377 Y CA 0.563 58.635 58.100 -0.047 0.000 1.199 377 Y CB -0.650 37.840 38.460 0.050 0.000 0.972 377 Y HN 0.533 nan 8.280 nan 0.000 0.527 378 A N 1.293 124.201 122.820 0.146 0.000 1.858 378 A HA -0.258 4.049 4.320 -0.022 0.000 0.216 378 A C 2.103 179.688 177.584 0.002 0.000 1.190 378 A CA 2.141 54.218 52.037 0.066 0.000 0.617 378 A CB -0.655 18.352 19.000 0.011 0.000 0.827 378 A HN 0.573 nan 8.150 nan 0.000 0.443 379 K N -0.744 119.623 120.400 -0.055 0.000 2.439 379 K HA 0.118 4.425 4.320 -0.022 0.000 0.197 379 K C 1.282 177.762 176.600 -0.200 0.000 1.041 379 K CA 1.174 57.404 56.287 -0.096 0.000 0.970 379 K CB -0.084 32.369 32.500 -0.078 0.000 0.773 379 K HN 0.219 nan 8.250 nan 0.000 0.479 380 V N 1.468 121.227 119.914 -0.258 0.000 2.436 380 V HA -0.034 4.073 4.120 -0.022 0.000 0.240 380 V C 1.943 177.893 176.094 -0.241 0.000 1.040 380 V CA 0.797 62.876 62.300 -0.369 0.000 1.052 380 V CB -0.089 31.463 31.823 -0.452 0.000 0.707 380 V HN 0.272 nan 8.190 nan 0.000 0.469 381 L N 0.756 121.901 121.223 -0.131 0.000 2.610 381 L HA 0.241 4.568 4.340 -0.022 0.000 0.232 381 L C 1.701 178.654 176.870 0.139 0.000 1.149 381 L CA 0.858 55.678 54.840 -0.034 0.000 0.872 381 L CB -0.914 41.234 42.059 0.149 0.000 0.992 381 L HN 0.588 nan 8.230 nan 0.000 0.447 382 G N 0.548 109.388 108.800 0.066 0.000 2.258 382 G HA2 -0.277 3.670 3.960 -0.022 0.000 0.274 382 G HA3 -0.277 3.670 3.960 -0.022 0.000 0.274 382 G C 0.073 175.035 174.900 0.103 0.000 1.021 382 G CA 0.539 45.687 45.100 0.079 0.000 0.798 382 G HN 0.391 nan 8.290 nan 0.000 0.507 383 S N -0.717 115.055 115.700 0.119 0.000 2.659 383 S HA 0.469 4.926 4.470 -0.022 0.000 0.312 383 S C 0.705 175.273 174.600 -0.054 0.000 1.114 383 S CA -0.321 57.919 58.200 0.066 0.000 1.063 383 S CB 1.832 65.136 63.200 0.174 0.000 0.996 383 S HN 0.304 nan 8.310 nan 0.000 0.478 384 Q N 2.758 122.522 119.800 -0.061 0.000 2.217 384 Q HA -0.238 4.089 4.340 -0.022 0.000 0.209 384 Q C 1.903 177.802 176.000 -0.169 0.000 0.988 384 Q CA 2.156 57.903 55.803 -0.094 0.000 0.878 384 Q CB -0.149 28.559 28.738 -0.049 0.000 0.909 384 Q HN 0.845 nan 8.270 nan 0.000 0.424 385 E N -0.774 119.279 120.200 -0.245 0.000 2.219 385 E HA -0.266 4.071 4.350 -0.022 0.000 0.198 385 E C 1.797 178.222 176.600 -0.293 0.000 0.998 385 E CA 1.149 57.359 56.400 -0.315 0.000 0.818 385 E CB -0.485 28.854 29.700 -0.602 0.000 0.741 385 E HN 0.446 nan 8.360 nan 0.000 0.477 386 A N 1.834 124.431 122.820 -0.372 0.000 1.986 386 A HA -0.160 4.147 4.320 -0.022 0.000 0.220 386 A C 2.205 179.908 177.584 0.198 0.000 1.171 386 A CA 1.163 53.262 52.037 0.104 0.000 0.640 386 A CB -0.402 18.722 19.000 0.206 0.000 0.811 386 A HN 0.166 nan 8.150 nan 0.000 0.451 387 L N -0.613 120.568 121.223 -0.070 0.000 2.353 387 L HA -0.075 4.252 4.340 -0.022 0.000 0.220 387 L C 0.432 177.164 176.870 -0.230 0.000 1.133 387 L CA 1.351 56.056 54.840 -0.225 0.000 0.798 387 L CB -1.566 40.222 42.059 -0.452 0.000 0.922 387 L HN 0.537 nan 8.230 nan 0.000 0.445 388 H N -0.245 118.882 119.070 0.095 0.000 2.360 388 H HA 0.233 4.776 4.556 -0.022 0.000 0.233 388 H C -1.942 173.408 175.328 0.037 0.000 1.473 388 H CA -1.801 54.282 56.048 0.057 0.000 1.352 388 H CB 0.471 30.261 29.762 0.046 0.000 1.493 388 H HN 0.128 nan 8.280 nan 0.000 0.533 389 P HA 0.020 nan 4.420 nan 0.000 0.276 389 P C 0.527 177.790 177.300 -0.063 0.000 1.261 389 P CA -0.291 62.652 63.100 -0.262 0.000 0.800 389 P CB 2.322 33.881 31.700 -0.235 0.000 1.066 390 V N -1.453 118.442 119.914 -0.031 0.000 3.572 390 V HA 0.170 4.277 4.120 -0.022 0.000 0.260 390 V C 0.362 176.544 176.094 0.146 0.000 1.324 390 V CA 0.779 63.128 62.300 0.080 0.000 1.068 390 V CB -0.689 31.210 31.823 0.128 0.000 0.837 390 V HN 0.740 nan 8.190 nan 0.000 0.450 391 H N -1.133 117.970 119.070 0.055 0.000 3.024 391 H HA 0.496 5.039 4.556 -0.022 0.000 0.324 391 H C -2.063 173.420 175.328 0.259 0.000 1.347 391 H CA -0.904 55.163 56.048 0.033 0.000 1.182 391 H CB 1.653 31.299 29.762 -0.194 0.000 1.889 391 H HN 0.032 nan 8.280 nan 0.000 0.528 392 Y N 2.404 122.349 120.300 -0.592 0.000 2.307 392 Y HA 0.376 4.913 4.550 -0.022 0.000 0.323 392 Y C -1.559 174.129 175.900 -0.352 0.000 1.100 392 Y CA -0.564 57.381 58.100 -0.257 0.000 1.140 392 Y CB 1.230 39.588 38.460 -0.170 0.000 1.159 392 Y HN 0.552 nan 8.280 nan 0.000 0.436 393 E N 5.402 125.371 120.200 -0.385 0.000 2.191 393 E HA 0.270 4.607 4.350 -0.022 0.000 0.278 393 E C -1.010 175.292 176.600 -0.497 0.000 0.972 393 E CA -0.396 55.847 56.400 -0.261 0.000 0.804 393 E CB 1.850 31.585 29.700 0.059 0.000 1.110 393 E HN 0.868 nan 8.360 nan 0.000 0.394 394 E N 1.206 121.224 120.200 -0.303 0.000 2.429 394 E HA 0.674 5.011 4.350 -0.022 0.000 0.276 394 E C -1.063 175.490 176.600 -0.079 0.000 0.953 394 E CA -1.116 55.157 56.400 -0.210 0.000 0.787 394 E CB 1.993 31.616 29.700 -0.128 0.000 1.307 394 E HN -0.038 nan 8.360 nan 0.000 0.458 395 K N 1.165 121.544 120.400 -0.036 0.000 2.553 395 K HA 0.374 4.681 4.320 -0.022 0.000 0.250 395 K C -1.979 174.542 176.600 -0.131 0.000 0.953 395 K CA -0.703 55.502 56.287 -0.136 0.000 0.800 395 K CB 1.690 34.080 32.500 -0.183 0.000 1.243 395 K HN 0.566 nan 8.250 nan 0.000 0.435 396 N N 4.152 122.728 118.700 -0.208 0.000 2.621 396 N HA 0.230 4.957 4.740 -0.022 0.000 0.237 396 N C -0.305 175.163 175.510 -0.070 0.000 0.997 396 N CA -0.479 52.538 53.050 -0.054 0.000 0.918 396 N CB 0.224 38.713 38.487 0.004 0.000 1.122 396 N HN 0.618 nan 8.380 nan 0.000 0.510 397 W N 1.840 123.207 121.300 0.112 0.000 2.467 397 W HA 0.003 4.649 4.660 -0.023 0.000 0.275 397 W C 2.092 178.659 176.519 0.080 0.000 1.239 397 W CA -0.033 57.378 57.345 0.110 0.000 1.266 397 W CB -0.541 29.001 29.460 0.138 0.000 1.112 397 W HN 0.517 nan 8.180 nan 0.000 0.576 398 C N 0.721 120.157 119.300 0.226 0.000 2.385 398 C HA -0.242 4.205 4.460 -0.022 0.000 0.275 398 C C 1.907 176.951 174.990 0.091 0.000 1.199 398 C CA 1.811 60.911 59.018 0.136 0.000 1.782 398 C CB -1.552 26.244 27.740 0.094 0.000 2.068 398 C HN 0.486 nan 8.230 nan 0.000 0.471 399 E N 0.381 120.618 120.200 0.062 0.000 2.338 399 E HA 0.186 4.523 4.350 -0.022 0.000 0.231 399 E C -0.502 176.099 176.600 0.002 0.000 1.231 399 E CA -0.009 56.401 56.400 0.016 0.000 1.490 399 E CB -0.081 29.614 29.700 -0.007 0.000 1.360 399 E HN 0.417 nan 8.360 nan 0.000 0.435 400 E N 1.750 121.984 120.200 0.057 0.000 2.134 400 E HA 0.028 4.364 4.350 -0.022 0.000 0.278 400 E C 0.385 177.008 176.600 0.039 0.000 0.959 400 E CA -0.278 56.166 56.400 0.072 0.000 0.783 400 E CB 1.711 31.541 29.700 0.217 0.000 1.095 400 E HN 0.404 nan 8.360 nan 0.000 0.399 401 Q N 2.960 122.732 119.800 -0.047 0.000 2.050 401 Q HA -0.169 4.158 4.340 -0.022 0.000 0.202 401 Q C 0.117 175.926 176.000 -0.320 0.000 0.980 401 Q CA 1.624 57.276 55.803 -0.252 0.000 0.840 401 Q CB 0.076 28.552 28.738 -0.438 0.000 0.898 401 Q HN 0.543 nan 8.270 nan 0.000 0.424 402 Y N -0.452 119.881 120.300 0.055 0.000 2.718 402 Y HA 0.264 4.800 4.550 -0.023 0.000 0.322 402 Y C 0.778 176.742 175.900 0.106 0.000 1.122 402 Y CA -0.149 57.988 58.100 0.061 0.000 1.348 402 Y CB 0.800 39.285 38.460 0.043 0.000 1.174 402 Y HN 0.069 nan 8.280 nan 0.000 0.523 403 S N -2.577 113.248 115.700 0.208 0.000 2.699 403 S HA 0.246 4.702 4.470 -0.022 0.000 0.277 403 S C 1.875 176.578 174.600 0.172 0.000 1.062 403 S CA 0.203 58.538 58.200 0.225 0.000 1.116 403 S CB 0.593 64.003 63.200 0.351 0.000 0.977 403 S HN 0.524 nan 8.310 nan 0.000 0.498 404 G N 1.503 110.385 108.800 0.137 0.000 2.530 404 G HA2 -0.095 3.852 3.960 -0.022 0.000 0.247 404 G HA3 -0.095 3.852 3.960 -0.022 0.000 0.247 404 G C 0.534 175.528 174.900 0.156 0.000 1.067 404 G CA 0.637 45.803 45.100 0.110 0.000 0.650 404 G HN 1.492 nan 8.290 nan 0.000 0.531 405 G N -2.595 106.329 108.800 0.207 0.000 2.321 405 G HA2 0.540 4.487 3.960 -0.022 0.000 0.296 405 G HA3 0.540 4.487 3.960 -0.022 0.000 0.296 405 G C -1.252 173.761 174.900 0.187 0.000 1.287 405 G CA 0.369 45.604 45.100 0.225 0.000 0.846 405 G HN 1.221 nan 8.290 nan 0.000 0.508 406 C N -1.380 117.998 119.300 0.130 0.000 3.171 406 C HA 0.638 5.085 4.460 -0.022 0.000 0.308 406 C C 0.856 175.846 174.990 0.000 0.000 1.334 406 C CA -0.570 58.481 59.018 0.056 0.000 1.473 406 C CB 1.006 28.678 27.740 -0.114 0.000 1.866 406 C HN 0.677 nan 8.230 nan 0.000 0.465 407 Y N 0.560 120.858 120.300 -0.003 0.000 2.263 407 Y HA 0.142 4.678 4.550 -0.022 0.000 0.292 407 Y C 1.704 177.667 175.900 0.105 0.000 1.130 407 Y CA 1.214 59.304 58.100 -0.016 0.000 1.179 407 Y CB -0.627 37.835 38.460 0.003 0.000 0.998 407 Y HN 0.670 nan 8.280 nan 0.000 0.532 408 T N -1.412 113.357 114.554 0.358 0.000 2.696 408 T HA 0.758 5.095 4.350 -0.022 0.000 0.291 408 T C -0.883 174.041 174.700 0.375 0.000 1.095 408 T CA -0.412 61.929 62.100 0.401 0.000 1.026 408 T CB 0.895 70.118 68.868 0.591 0.000 1.390 408 T HN 0.127 nan 8.240 nan 0.000 0.513 409 A N 0.877 123.923 122.820 0.376 0.000 2.466 409 A HA 0.582 4.888 4.320 -0.022 0.000 0.238 409 A C -0.813 177.040 177.584 0.447 0.000 1.074 409 A CA 0.106 52.329 52.037 0.309 0.000 0.774 409 A CB -0.557 18.592 19.000 0.248 0.000 1.015 409 A HN 0.936 nan 8.150 nan 0.000 0.498 410 Y N -1.527 118.754 120.300 -0.033 0.000 2.588 410 Y HA 0.738 5.275 4.550 -0.021 0.000 0.343 410 Y C -1.483 173.960 175.900 -0.762 0.000 1.065 410 Y CA -1.779 55.992 58.100 -0.547 0.000 1.038 410 Y CB 1.112 39.390 38.460 -0.303 0.000 1.297 410 Y HN 0.398 nan 8.280 nan 0.000 0.467 411 F N 4.726 123.654 119.950 -1.704 0.000 2.385 411 F HA 0.528 5.042 4.527 -0.021 0.000 0.360 411 F C -2.262 173.247 175.800 -0.485 0.000 1.122 411 F CA -2.747 54.622 58.000 -1.052 0.000 1.090 411 F CB 1.429 39.727 39.000 -1.170 0.000 1.150 411 F HN 0.297 nan 8.300 nan 0.000 0.472 412 P HA 0.230 nan 4.420 nan 0.000 0.277 412 P C -2.773 174.531 177.300 0.008 0.000 1.240 412 P CA -1.919 61.101 63.100 -0.133 0.000 0.798 412 P CB 0.536 32.105 31.700 -0.220 0.000 0.979 413 P HA -0.008 nan 4.420 nan 0.000 0.266 413 P C 1.191 178.551 177.300 0.099 0.000 1.193 413 P CA 1.526 64.696 63.100 0.116 0.000 0.770 413 P CB -0.219 31.540 31.700 0.099 0.000 0.836 414 G N 2.083 110.962 108.800 0.132 0.000 2.328 414 G HA2 -0.323 3.624 3.960 -0.022 0.000 0.256 414 G HA3 -0.323 3.624 3.960 -0.022 0.000 0.256 414 G C 1.029 175.991 174.900 0.103 0.000 1.014 414 G CA 0.239 45.399 45.100 0.099 0.000 0.620 414 G HN 0.439 nan 8.290 nan 0.000 0.530 415 I N 0.649 121.305 120.570 0.143 0.000 2.252 415 I HA -0.069 4.088 4.170 -0.022 0.000 0.245 415 I C 2.734 179.022 176.117 0.285 0.000 1.102 415 I CA 2.411 63.828 61.300 0.194 0.000 1.385 415 I CB -1.117 36.890 38.000 0.011 0.000 1.064 415 I HN 0.488 nan 8.210 nan 0.000 0.414 416 M N 1.317 121.172 119.600 0.424 0.000 2.082 416 M HA -0.231 4.235 4.480 -0.022 0.000 0.258 416 M C 2.047 178.475 176.300 0.213 0.000 1.071 416 M CA 2.634 58.206 55.300 0.453 0.000 1.103 416 M CB -0.853 31.941 32.600 0.323 0.000 1.307 416 M HN 0.307 nan 8.290 nan 0.000 0.409 417 T N -2.100 112.540 114.554 0.144 0.000 3.129 417 T HA 0.064 4.401 4.350 -0.022 0.000 0.251 417 T C 1.523 176.158 174.700 -0.109 0.000 1.117 417 T CA 0.724 62.852 62.100 0.046 0.000 1.034 417 T CB -0.265 68.648 68.868 0.074 0.000 0.968 417 T HN 0.669 nan 8.240 nan 0.000 0.526 418 Q N -0.502 119.200 119.800 -0.163 0.000 2.373 418 Q HA 0.181 4.508 4.340 -0.022 0.000 0.210 418 Q C 0.490 176.056 176.000 -0.723 0.000 0.913 418 Q CA 0.585 56.091 55.803 -0.495 0.000 0.911 418 Q CB 0.363 28.708 28.738 -0.655 0.000 1.040 418 Q HN 0.768 nan 8.270 nan 0.000 0.521 419 Y N -3.773 116.454 120.300 -0.122 0.000 2.580 419 Y HA 0.276 4.814 4.550 -0.022 0.000 0.290 419 Y C 1.673 177.457 175.900 -0.192 0.000 0.981 419 Y CA -0.174 57.837 58.100 -0.149 0.000 1.120 419 Y CB 0.016 38.405 38.460 -0.118 0.000 1.415 419 Y HN 0.115 nan 8.280 nan 0.000 0.588 420 G N 2.044 110.845 108.800 0.001 0.000 2.503 420 G HA2 -0.354 3.593 3.960 -0.022 0.000 0.221 420 G HA3 -0.354 3.593 3.960 -0.022 0.000 0.221 420 G C 1.640 176.262 174.900 -0.463 0.000 1.131 420 G CA 1.485 46.600 45.100 0.024 0.000 0.756 420 G HN 0.470 nan 8.290 nan 0.000 0.572 421 R N 0.259 120.128 120.500 -1.051 0.000 2.355 421 R HA 0.034 4.361 4.340 -0.022 0.000 0.219 421 R C 1.681 177.575 176.300 -0.677 0.000 1.107 421 R CA 1.379 56.378 56.100 -1.835 0.000 1.021 421 R CB -0.331 29.073 30.300 -1.494 0.000 0.852 421 R HN 0.326 nan 8.270 nan 0.000 0.475 422 V N 0.713 120.449 119.914 -0.297 0.000 2.403 422 V HA -0.122 3.985 4.120 -0.022 0.000 0.239 422 V C 2.307 178.462 176.094 0.101 0.000 1.041 422 V CA 0.823 63.097 62.300 -0.043 0.000 1.051 422 V CB -0.474 31.345 31.823 -0.007 0.000 0.704 422 V HN 0.277 nan 8.190 nan 0.000 0.472 423 I N 0.768 121.411 120.570 0.122 0.000 4.034 423 I HA -0.447 3.710 4.170 -0.022 0.000 0.126 423 I C 2.053 178.333 176.117 0.271 0.000 0.573 423 I CA 3.156 64.585 61.300 0.214 0.000 1.088 423 I CB -0.493 37.690 38.000 0.305 0.000 0.950 423 I HN 0.697 nan 8.210 nan 0.000 0.221 424 R N 0.448 121.136 120.500 0.314 0.000 2.549 424 R HA 0.214 4.541 4.340 -0.022 0.000 0.361 424 R C 0.681 177.178 176.300 0.329 0.000 0.969 424 R CA -0.208 56.119 56.100 0.378 0.000 1.158 424 R CB -0.167 30.357 30.300 0.373 0.000 1.456 424 R HN 0.463 nan 8.270 nan 0.000 0.540 425 Q N 2.868 122.827 119.800 0.265 0.000 2.289 425 Q HA 0.221 4.548 4.340 -0.022 0.000 0.273 425 Q C -2.161 173.843 176.000 0.008 0.000 1.029 425 Q CA -1.789 54.104 55.803 0.151 0.000 0.896 425 Q CB 0.923 29.728 28.738 0.112 0.000 1.182 425 Q HN 0.010 nan 8.270 nan 0.000 0.385 426 P HA -0.024 nan 4.420 nan 0.000 0.268 426 P C -1.496 175.561 177.300 -0.406 0.000 1.204 426 P CA -0.106 62.697 63.100 -0.494 0.000 0.768 426 P CB 0.954 32.378 31.700 -0.461 0.000 0.842 427 V N 2.933 122.537 119.914 -0.517 0.000 2.577 427 V HA 0.723 4.830 4.120 -0.022 0.000 0.303 427 V C 0.620 176.543 176.094 -0.285 0.000 1.042 427 V CA 0.656 62.794 62.300 -0.271 0.000 0.872 427 V CB 0.813 32.568 31.823 -0.113 0.000 0.998 427 V HN 0.866 nan 8.190 nan 0.000 0.423 428 G N 6.998 115.682 108.800 -0.194 0.000 2.646 428 G HA2 -0.315 3.632 3.960 -0.022 0.000 0.324 428 G HA3 -0.315 3.632 3.960 -0.022 0.000 0.324 428 G C 0.495 175.261 174.900 -0.224 0.000 1.195 428 G CA 0.788 45.798 45.100 -0.150 0.000 0.976 428 G HN 1.262 nan 8.290 nan 0.000 0.546 429 R N 0.167 120.552 120.500 -0.192 0.000 2.659 429 R HA 0.392 4.719 4.340 -0.022 0.000 0.418 429 R C 0.038 176.289 176.300 -0.081 0.000 1.076 429 R CA -0.080 55.912 56.100 -0.180 0.000 1.093 429 R CB 0.507 30.663 30.300 -0.241 0.000 1.400 429 R HN 0.481 nan 8.270 nan 0.000 0.583 430 I N 1.346 121.765 120.570 -0.251 0.000 2.620 430 I HA 0.293 4.450 4.170 -0.022 0.000 0.280 430 I C -0.327 175.445 176.117 -0.576 0.000 1.143 430 I CA -0.674 60.551 61.300 -0.126 0.000 1.163 430 I CB -0.036 38.031 38.000 0.112 0.000 1.461 430 I HN -0.114 nan 8.210 nan 0.000 0.530 431 F N 3.507 123.290 119.950 -0.278 0.000 2.485 431 F HA 0.344 4.858 4.527 -0.021 0.000 0.327 431 F C 0.250 175.866 175.800 -0.306 0.000 1.203 431 F CA 0.464 58.222 58.000 -0.404 0.000 1.295 431 F CB 0.399 39.319 39.000 -0.133 0.000 1.191 431 F HN 0.110 nan 8.300 nan 0.000 0.588 432 F N 0.588 120.705 119.950 0.278 0.000 2.539 432 F HA 0.668 5.181 4.527 -0.023 0.000 0.318 432 F C 0.186 176.089 175.800 0.171 0.000 1.135 432 F CA -0.797 57.317 58.000 0.190 0.000 0.915 432 F CB 1.402 40.489 39.000 0.144 0.000 1.176 432 F HN 0.587 nan 8.300 nan 0.000 0.440 433 A N 2.144 125.170 122.820 0.344 0.000 3.120 433 A HA 1.011 5.318 4.320 -0.022 0.000 0.213 433 A C -0.022 177.690 177.584 0.213 0.000 1.202 433 A CA -0.650 51.526 52.037 0.232 0.000 0.876 433 A CB 0.962 20.049 19.000 0.144 0.000 1.456 433 A HN 1.532 nan 8.150 nan 0.000 0.530 434 G N -2.155 106.751 108.800 0.177 0.000 2.906 434 G HA2 0.201 4.148 3.960 -0.022 0.000 0.686 434 G HA3 0.201 4.148 3.960 -0.022 0.000 0.686 434 G C 0.301 175.320 174.900 0.198 0.000 1.170 434 G CA 0.492 45.695 45.100 0.172 0.000 0.775 434 G HN 1.432 nan 8.290 nan 0.000 0.630 435 T N 0.297 114.969 114.554 0.196 0.000 2.896 435 T HA -0.140 4.197 4.350 -0.022 0.000 0.270 435 T C 2.196 177.068 174.700 0.287 0.000 1.104 435 T CA 2.771 65.009 62.100 0.230 0.000 1.115 435 T CB -0.129 68.877 68.868 0.231 0.000 0.843 435 T HN 0.572 nan 8.240 nan 0.000 0.523 436 E N 0.533 120.906 120.200 0.289 0.000 2.051 436 E HA -0.068 4.269 4.350 -0.022 0.000 0.192 436 E C 2.412 179.223 176.600 0.352 0.000 0.991 436 E CA 1.686 58.293 56.400 0.344 0.000 0.799 436 E CB -0.525 29.346 29.700 0.285 0.000 0.748 436 E HN 0.654 nan 8.360 nan 0.000 0.449 437 T N -1.787 112.948 114.554 0.301 0.000 3.215 437 T HA 0.405 4.741 4.350 -0.022 0.000 0.254 437 T C 0.812 175.703 174.700 0.319 0.000 1.149 437 T CA 0.190 62.478 62.100 0.314 0.000 1.042 437 T CB -0.242 68.808 68.868 0.303 0.000 0.966 437 T HN 0.134 nan 8.240 nan 0.000 0.534 438 A N 1.415 124.418 122.820 0.305 0.000 2.281 438 A HA 0.558 4.865 4.320 -0.022 0.000 0.271 438 A C 1.684 179.454 177.584 0.311 0.000 1.196 438 A CA 0.293 52.497 52.037 0.277 0.000 0.807 438 A CB 0.115 19.250 19.000 0.225 0.000 1.138 438 A HN 0.595 nan 8.150 nan 0.000 0.506 439 T N -2.953 111.758 114.554 0.261 0.000 3.232 439 T HA 0.230 4.567 4.350 -0.022 0.000 0.259 439 T C 0.750 175.473 174.700 0.039 0.000 0.987 439 T CA 0.396 62.623 62.100 0.211 0.000 1.096 439 T CB -0.447 68.543 68.868 0.204 0.000 1.131 439 T HN 0.585 nan 8.240 nan 0.000 0.445 440 K N 0.137 120.562 120.400 0.041 0.000 2.202 440 K HA 0.242 4.549 4.320 -0.022 0.000 0.264 440 K C -0.818 175.760 176.600 -0.037 0.000 1.010 440 K CA -0.607 55.637 56.287 -0.072 0.000 0.940 440 K CB 0.215 32.746 32.500 0.052 0.000 0.983 440 K HN 0.432 nan 8.250 nan 0.000 0.475 441 W N 1.354 122.475 121.300 -0.298 0.000 7.375 441 W HA -0.252 4.395 4.660 -0.022 0.000 0.411 441 W C 0.148 176.479 176.519 -0.312 0.000 1.571 441 W CA 0.447 57.538 57.345 -0.423 0.000 1.190 441 W CB -1.301 27.968 29.460 -0.318 0.000 2.764 441 W HN 0.287 nan 8.180 nan 0.000 1.663 442 S N 0.564 116.155 115.700 -0.182 0.000 2.455 442 S HA 0.489 4.946 4.470 -0.022 0.000 0.278 442 S C 1.109 175.736 174.600 0.045 0.000 1.216 442 S CA 0.887 59.098 58.200 0.018 0.000 1.055 442 S CB 0.789 64.075 63.200 0.143 0.000 0.939 442 S HN 1.048 nan 8.310 nan 0.000 0.494 443 G N 3.883 112.862 108.800 0.298 0.000 2.480 443 G HA2 -0.136 3.811 3.960 -0.022 0.000 0.193 443 G HA3 -0.136 3.811 3.960 -0.022 0.000 0.193 443 G C -0.242 174.982 174.900 0.540 0.000 1.004 443 G CA -0.270 45.118 45.100 0.480 0.000 0.696 443 G HN 0.599 nan 8.290 nan 0.000 0.478 444 Y N 0.082 120.479 120.300 0.162 0.000 2.518 444 Y HA 0.755 5.292 4.550 -0.022 0.000 0.332 444 Y C 2.214 178.149 175.900 0.058 0.000 1.276 444 Y CA -0.899 57.254 58.100 0.088 0.000 1.418 444 Y CB 0.195 38.702 38.460 0.078 0.000 1.527 444 Y HN -0.001 nan 8.280 nan 0.000 0.549 445 M N -0.236 119.467 119.600 0.172 0.000 2.099 445 M HA -0.161 4.306 4.480 -0.022 0.000 0.262 445 M C 1.949 178.317 176.300 0.112 0.000 1.067 445 M CA 1.926 57.291 55.300 0.107 0.000 1.124 445 M CB -0.325 32.314 32.600 0.065 0.000 1.353 445 M HN 0.768 nan 8.290 nan 0.000 0.410 446 E N 0.607 120.849 120.200 0.070 0.000 2.114 446 E HA -0.191 4.146 4.350 -0.022 0.000 0.199 446 E C 1.867 178.540 176.600 0.121 0.000 1.008 446 E CA 2.115 58.536 56.400 0.036 0.000 0.810 446 E CB -0.578 29.038 29.700 -0.140 0.000 0.739 446 E HN 0.470 nan 8.360 nan 0.000 0.456 447 G N 0.146 109.058 108.800 0.186 0.000 2.418 447 G HA2 -0.239 3.708 3.960 -0.022 0.000 0.217 447 G HA3 -0.239 3.708 3.960 -0.022 0.000 0.217 447 G C 1.696 176.697 174.900 0.167 0.000 1.158 447 G CA 1.261 46.478 45.100 0.195 0.000 0.771 447 G HN 0.497 nan 8.290 nan 0.000 0.545 448 A N 0.439 123.354 122.820 0.159 0.000 1.859 448 A HA -0.099 4.208 4.320 -0.022 0.000 0.218 448 A C 2.624 180.272 177.584 0.106 0.000 1.209 448 A CA 2.424 54.541 52.037 0.134 0.000 0.639 448 A CB -1.053 18.019 19.000 0.120 0.000 0.835 448 A HN 0.361 nan 8.150 nan 0.000 0.450 449 V N 0.198 120.167 119.914 0.091 0.000 2.324 449 V HA -0.317 3.790 4.120 -0.022 0.000 0.250 449 V C 2.567 178.698 176.094 0.061 0.000 1.060 449 V CA 2.436 64.776 62.300 0.067 0.000 1.042 449 V CB -0.853 31.006 31.823 0.060 0.000 0.650 449 V HN 0.714 nan 8.190 nan 0.000 0.450 450 E N 0.144 120.395 120.200 0.085 0.000 2.038 450 E HA -0.280 4.057 4.350 -0.022 0.000 0.195 450 E C 2.307 178.938 176.600 0.052 0.000 1.000 450 E CA 1.667 58.117 56.400 0.084 0.000 0.803 450 E CB -0.204 29.578 29.700 0.137 0.000 0.750 450 E HN 0.571 nan 8.360 nan 0.000 0.448 451 A N 0.699 123.570 122.820 0.085 0.000 1.933 451 A HA -0.124 4.183 4.320 -0.022 0.000 0.218 451 A C 2.390 179.982 177.584 0.014 0.000 1.175 451 A CA 1.921 54.000 52.037 0.070 0.000 0.628 451 A CB -1.094 17.986 19.000 0.134 0.000 0.814 451 A HN 0.447 nan 8.150 nan 0.000 0.444 452 G N -0.359 108.456 108.800 0.023 0.000 2.433 452 G HA2 -0.199 3.748 3.960 -0.022 0.000 0.216 452 G HA3 -0.199 3.748 3.960 -0.022 0.000 0.216 452 G C 1.421 176.290 174.900 -0.052 0.000 1.186 452 G CA 0.892 45.995 45.100 0.004 0.000 0.779 452 G HN 0.621 nan 8.290 nan 0.000 0.543 453 E N 0.148 120.314 120.200 -0.056 0.000 2.051 453 E HA -0.147 4.190 4.350 -0.022 0.000 0.192 453 E C 2.521 179.013 176.600 -0.181 0.000 0.991 453 E CA 0.571 56.917 56.400 -0.089 0.000 0.799 453 E CB -0.232 29.436 29.700 -0.053 0.000 0.748 453 E HN 0.324 nan 8.360 nan 0.000 0.449 454 R N 0.755 121.116 120.500 -0.230 0.000 2.096 454 R HA -0.172 4.155 4.340 -0.022 0.000 0.240 454 R C 2.318 178.394 176.300 -0.373 0.000 1.139 454 R CA 1.508 57.360 56.100 -0.413 0.000 0.952 454 R CB -0.266 29.710 30.300 -0.539 0.000 0.854 454 R HN 0.151 nan 8.270 nan 0.000 0.436 455 A N 0.456 123.131 122.820 -0.242 0.000 1.933 455 A HA -0.096 4.211 4.320 -0.022 0.000 0.218 455 A C 2.313 179.682 177.584 -0.360 0.000 1.175 455 A CA 1.694 53.594 52.037 -0.229 0.000 0.628 455 A CB -0.597 18.368 19.000 -0.058 0.000 0.814 455 A HN 0.540 nan 8.150 nan 0.000 0.444 456 A N 0.091 122.746 122.820 -0.275 0.000 1.855 456 A HA -0.156 4.150 4.320 -0.022 0.000 0.215 456 A C 2.218 179.561 177.584 -0.402 0.000 1.191 456 A CA 1.436 53.301 52.037 -0.286 0.000 0.613 456 A CB -0.513 18.376 19.000 -0.186 0.000 0.829 456 A HN 0.539 nan 8.150 nan 0.000 0.442 457 R N -0.381 119.887 120.500 -0.386 0.000 2.127 457 R HA -0.151 4.176 4.340 -0.022 0.000 0.238 457 R C 2.063 178.088 176.300 -0.458 0.000 1.134 457 R CA 1.501 57.353 56.100 -0.414 0.000 0.975 457 R CB -0.309 29.787 30.300 -0.340 0.000 0.865 457 R HN 0.691 nan 8.270 nan 0.000 0.447 458 E N 0.281 120.144 120.200 -0.562 0.000 2.017 458 E HA -0.155 4.182 4.350 -0.022 0.000 0.193 458 E C 2.084 178.185 176.600 -0.831 0.000 0.997 458 E CA 1.472 57.450 56.400 -0.703 0.000 0.804 458 E CB -0.008 29.053 29.700 -1.065 0.000 0.757 458 E HN 0.020 nan 8.360 nan 0.000 0.448 459 V N 1.324 120.617 119.914 -1.034 0.000 2.231 459 V HA -0.326 3.781 4.120 -0.022 0.000 0.248 459 V C 2.407 178.052 176.094 -0.748 0.000 1.054 459 V CA 1.836 63.552 62.300 -0.974 0.000 1.015 459 V CB -0.601 30.783 31.823 -0.733 0.000 0.638 459 V HN 0.315 nan 8.190 nan 0.000 0.444 460 L N 0.464 121.350 121.223 -0.562 0.000 2.034 460 L HA -0.307 4.020 4.340 -0.022 0.000 0.217 460 L C 2.440 179.100 176.870 -0.349 0.000 1.077 460 L CA 2.569 57.134 54.840 -0.460 0.000 0.769 460 L CB -0.736 40.986 42.059 -0.562 0.000 0.890 460 L HN 0.617 nan 8.230 nan 0.000 0.435 461 N N -0.310 118.196 118.700 -0.322 0.000 2.331 461 N HA -0.115 4.612 4.740 -0.022 0.000 0.180 461 N C 1.725 177.165 175.510 -0.117 0.000 1.019 461 N CA 1.216 54.153 53.050 -0.189 0.000 0.881 461 N CB -0.129 38.265 38.487 -0.155 0.000 0.972 461 N HN 0.213 nan 8.380 nan 0.000 0.435 462 G N -0.021 108.686 108.800 -0.156 0.000 2.511 462 G HA2 -0.029 3.918 3.960 -0.022 0.000 0.217 462 G HA3 -0.029 3.918 3.960 -0.022 0.000 0.217 462 G C 1.413 176.327 174.900 0.023 0.000 1.133 462 G CA 0.282 45.386 45.100 0.006 0.000 0.792 462 G HN 0.297 nan 8.290 nan 0.000 0.539 463 L N -0.648 120.502 121.223 -0.122 0.000 2.162 463 L HA 0.254 4.581 4.340 -0.022 0.000 0.205 463 L C 2.279 179.138 176.870 -0.020 0.000 1.086 463 L CA 1.122 55.934 54.840 -0.046 0.000 0.778 463 L CB 0.081 42.071 42.059 -0.115 0.000 0.928 463 L HN 0.417 nan 8.230 nan 0.000 0.446 464 G N -0.929 107.838 108.800 -0.055 0.000 2.624 464 G HA2 -0.189 3.758 3.960 -0.022 0.000 0.190 464 G HA3 -0.189 3.758 3.960 -0.022 0.000 0.190 464 G C 0.982 175.861 174.900 -0.036 0.000 1.008 464 G CA -0.140 44.945 45.100 -0.026 0.000 0.731 464 G HN 0.136 nan 8.290 nan 0.000 0.478 465 K N 0.055 120.419 120.400 -0.060 0.000 2.442 465 K HA 0.290 4.597 4.320 -0.022 0.000 0.198 465 K C 0.494 177.058 176.600 -0.060 0.000 1.042 465 K CA 0.939 57.210 56.287 -0.026 0.000 0.958 465 K CB 0.586 33.089 32.500 0.005 0.000 0.766 465 K HN 0.292 nan 8.250 nan 0.000 0.474 466 V N 1.224 121.060 119.914 -0.131 0.000 2.876 466 V HA 0.108 4.215 4.120 -0.022 0.000 0.312 466 V C -0.170 175.881 176.094 -0.071 0.000 1.085 466 V CA -0.783 61.447 62.300 -0.116 0.000 0.945 466 V CB 2.345 34.032 31.823 -0.227 0.000 1.017 466 V HN 0.127 nan 8.190 nan 0.000 0.428 467 T N 2.479 117.014 114.554 -0.032 0.000 2.788 467 T HA 0.189 4.526 4.350 -0.022 0.000 0.287 467 T C 1.150 175.848 174.700 -0.003 0.000 1.007 467 T CA 0.114 62.210 62.100 -0.006 0.000 1.005 467 T CB 0.919 69.796 68.868 0.014 0.000 1.012 467 T HN 0.903 nan 8.240 nan 0.000 0.530 468 E N 1.800 122.014 120.200 0.023 0.000 1.997 468 E HA -0.227 4.110 4.350 -0.022 0.000 0.201 468 E C 1.755 178.404 176.600 0.082 0.000 1.011 468 E CA 1.172 57.604 56.400 0.052 0.000 0.847 468 E CB -0.321 29.416 29.700 0.062 0.000 0.787 468 E HN 0.516 nan 8.360 nan 0.000 0.472 469 K N 0.387 120.835 120.400 0.080 0.000 2.293 469 K HA -0.189 4.118 4.320 -0.022 0.000 0.204 469 K C 1.602 178.262 176.600 0.100 0.000 1.045 469 K CA 1.508 57.853 56.287 0.097 0.000 0.933 469 K CB -0.173 32.367 32.500 0.067 0.000 0.736 469 K HN 0.210 nan 8.250 nan 0.000 0.463 470 D N 0.270 120.705 120.400 0.059 0.000 2.348 470 D HA -0.039 4.588 4.640 -0.022 0.000 0.216 470 D C 1.103 177.408 176.300 0.008 0.000 0.970 470 D CA 0.633 54.653 54.000 0.034 0.000 0.889 470 D CB 0.112 40.914 40.800 0.005 0.000 0.912 470 D HN 0.235 nan 8.370 nan 0.000 0.524 471 I N -1.222 119.354 120.570 0.010 0.000 3.444 471 I HA -0.081 4.076 4.170 -0.022 0.000 0.287 471 I C 0.565 176.515 176.117 -0.277 0.000 1.302 471 I CA 0.321 61.530 61.300 -0.152 0.000 1.368 471 I CB -0.007 37.882 38.000 -0.185 0.000 1.048 471 I HN 0.039 nan 8.210 nan 0.000 0.487 472 W N -0.275 121.025 121.300 -0.001 0.000 2.252 472 W HA 0.281 4.928 4.660 -0.022 0.000 0.338 472 W C 0.366 176.894 176.519 0.014 0.000 0.914 472 W CA -0.342 57.010 57.345 0.011 0.000 1.754 472 W CB 0.312 29.783 29.460 0.018 0.000 1.135 472 W HN -0.342 nan 8.180 nan 0.000 0.531 473 V N 2.556 122.563 119.914 0.155 0.000 3.141 473 V HA -0.310 3.797 4.120 -0.022 0.000 0.280 473 V C 0.933 177.099 176.094 0.120 0.000 1.388 473 V CA 0.685 63.050 62.300 0.108 0.000 1.417 473 V CB -0.740 31.116 31.823 0.055 0.000 0.805 473 V HN 0.275 nan 8.190 nan 0.000 0.434 474 Q N 3.738 123.601 119.800 0.104 0.000 2.722 474 Q HA 0.313 4.640 4.340 -0.022 0.000 0.214 474 Q C 0.260 176.302 176.000 0.069 0.000 1.109 474 Q CA 0.392 56.246 55.803 0.085 0.000 1.066 474 Q CB 0.342 29.118 28.738 0.063 0.000 1.290 474 Q HN 0.983 nan 8.270 nan 0.000 0.620 475 E N -0.311 119.926 120.200 0.061 0.000 2.502 475 E HA 0.312 4.649 4.350 -0.022 0.000 0.261 475 E C -2.599 174.028 176.600 0.046 0.000 0.974 475 E CA -1.889 54.545 56.400 0.057 0.000 0.795 475 E CB 0.478 30.221 29.700 0.072 0.000 1.385 475 E HN 0.247 nan 8.360 nan 0.000 0.400 476 P HA -0.046 nan 4.420 nan 0.000 0.267 476 P C -0.305 177.012 177.300 0.029 0.000 1.209 476 P CA -0.040 63.078 63.100 0.030 0.000 0.763 476 P CB 0.858 32.572 31.700 0.025 0.000 0.816 477 E N 2.776 122.993 120.200 0.028 0.000 2.351 477 E HA 0.019 4.356 4.350 -0.022 0.000 0.266 477 E C -0.206 176.407 176.600 0.022 0.000 1.031 477 E CA -0.099 56.318 56.400 0.028 0.000 0.911 477 E CB 0.440 30.156 29.700 0.027 0.000 0.986 477 E HN 0.338 nan 8.360 nan 0.000 0.446 478 S N 4.193 119.906 115.700 0.021 0.000 2.673 478 S HA -0.071 4.386 4.470 -0.022 0.000 0.308 478 S C 0.999 175.608 174.600 0.016 0.000 1.246 478 S CA 0.251 58.462 58.200 0.018 0.000 1.077 478 S CB 0.319 63.530 63.200 0.018 0.000 0.814 478 S HN 0.516 nan 8.310 nan 0.000 0.503 479 K N 3.274 123.683 120.400 0.015 0.000 2.442 479 K HA -0.073 4.234 4.320 -0.022 0.000 0.198 479 K C 0.808 177.415 176.600 0.013 0.000 1.042 479 K CA 1.018 57.313 56.287 0.013 0.000 0.958 479 K CB 0.036 32.542 32.500 0.011 0.000 0.766 479 K HN 0.543 nan 8.250 nan 0.000 0.474 480 D N -0.012 120.397 120.400 0.016 0.000 2.290 480 D HA -0.019 4.608 4.640 -0.022 0.000 0.224 480 D C -0.019 176.290 176.300 0.016 0.000 0.967 480 D CA 0.681 54.692 54.000 0.018 0.000 0.893 480 D CB 0.533 41.348 40.800 0.025 0.000 1.037 480 D HN -0.203 nan 8.370 nan 0.000 0.477 481 V N 3.587 123.508 119.914 0.013 0.000 2.239 481 V HA 0.289 4.396 4.120 -0.022 0.000 0.267 481 V C -2.410 173.684 176.094 0.001 0.000 1.056 481 V CA -1.232 61.069 62.300 0.003 0.000 0.830 481 V CB 0.982 32.800 31.823 -0.007 0.000 1.090 481 V HN 0.048 nan 8.190 nan 0.000 0.459 482 P HA 0.389 nan 4.420 nan 0.000 0.291 482 P C -0.142 177.162 177.300 0.005 0.000 1.340 482 P CA -0.104 63.000 63.100 0.006 0.000 0.799 482 P CB 1.346 33.050 31.700 0.007 0.000 0.917 483 A N 4.276 127.103 122.820 0.013 0.000 2.520 483 A HA 0.293 4.600 4.320 -0.022 0.000 0.245 483 A C 0.261 177.854 177.584 0.013 0.000 1.072 483 A CA -0.092 51.956 52.037 0.019 0.000 0.761 483 A CB -0.131 18.893 19.000 0.039 0.000 1.004 483 A HN 0.422 nan 8.150 nan 0.000 0.499 484 V N 3.652 123.570 119.914 0.007 0.000 2.370 484 V HA 0.215 4.322 4.120 -0.022 0.000 0.279 484 V C 0.617 176.713 176.094 0.003 0.000 1.029 484 V CA -0.669 61.632 62.300 0.002 0.000 0.870 484 V CB 0.922 32.741 31.823 -0.006 0.000 0.984 484 V HN 1.039 nan 8.190 nan 0.000 0.451 485 E N 3.854 124.058 120.200 0.006 0.000 2.437 485 E HA 0.102 4.439 4.350 -0.022 0.000 0.263 485 E C 0.230 176.829 176.600 -0.003 0.000 1.030 485 E CA -0.266 56.140 56.400 0.010 0.000 0.934 485 E CB 0.628 30.337 29.700 0.015 0.000 0.943 485 E HN 0.624 nan 8.360 nan 0.000 0.444 486 I N 1.114 121.685 120.570 0.001 0.000 2.926 486 I HA 0.196 4.353 4.170 -0.022 0.000 0.198 486 I C 0.507 176.547 176.117 -0.128 0.000 1.339 486 I CA -0.482 60.776 61.300 -0.071 0.000 0.659 486 I CB 0.164 38.120 38.000 -0.072 0.000 1.805 486 I HN 0.364 nan 8.210 nan 0.000 0.995 487 T N -0.585 113.753 114.554 -0.359 0.000 3.291 487 T HA 0.362 4.699 4.350 -0.022 0.000 0.344 487 T C -1.439 172.907 174.700 -0.591 0.000 1.293 487 T CA -0.635 61.295 62.100 -0.283 0.000 1.108 487 T CB 0.897 69.697 68.868 -0.113 0.000 1.231 487 T HN 0.530 nan 8.240 nan 0.000 0.474 488 H N 1.106 120.195 119.070 0.031 0.000 2.800 488 H HA 0.445 4.988 4.556 -0.022 0.000 0.322 488 H C 0.252 175.613 175.328 0.055 0.000 0.979 488 H CA -0.617 55.458 56.048 0.046 0.000 1.277 488 H CB 0.886 30.662 29.762 0.023 0.000 1.484 488 H HN 0.472 nan 8.280 nan 0.000 0.512 489 T N 1.870 116.534 114.554 0.183 0.000 2.932 489 T HA -0.071 4.266 4.350 -0.022 0.000 0.312 489 T C 1.405 176.186 174.700 0.135 0.000 1.071 489 T CA -0.378 61.834 62.100 0.185 0.000 1.128 489 T CB 0.634 69.728 68.868 0.378 0.000 0.984 489 T HN 0.597 nan 8.240 nan 0.000 0.549 490 F N 1.341 121.135 119.950 -0.261 0.000 2.050 490 F HA -0.286 4.228 4.527 -0.022 0.000 0.294 490 F C 1.985 177.645 175.800 -0.235 0.000 1.113 490 F CA 1.884 59.645 58.000 -0.400 0.000 1.225 490 F CB -0.268 38.233 39.000 -0.831 0.000 0.953 490 F HN 0.645 nan 8.300 nan 0.000 0.501 491 W N 0.686 122.351 121.300 0.608 0.000 2.392 491 W HA -0.117 4.530 4.660 -0.022 0.000 0.279 491 W C 2.232 178.842 176.519 0.151 0.000 1.225 491 W CA 1.099 58.685 57.345 0.402 0.000 1.233 491 W CB -1.219 28.441 29.460 0.334 0.000 1.122 491 W HN 0.303 nan 8.180 nan 0.000 0.561 492 E N 0.504 120.947 120.200 0.405 0.000 2.070 492 E HA -0.251 4.086 4.350 -0.022 0.000 0.197 492 E C 2.223 178.885 176.600 0.104 0.000 1.004 492 E CA 1.479 58.023 56.400 0.242 0.000 0.805 492 E CB -0.382 29.473 29.700 0.258 0.000 0.744 492 E HN 0.249 nan 8.360 nan 0.000 0.451 493 R N 0.234 120.744 120.500 0.017 0.000 2.161 493 R HA 0.037 4.364 4.340 -0.022 0.000 0.213 493 R C 1.355 177.570 176.300 -0.141 0.000 1.055 493 R CA 0.773 56.819 56.100 -0.089 0.000 0.996 493 R CB 0.268 30.474 30.300 -0.156 0.000 0.901 493 R HN 0.088 nan 8.270 nan 0.000 0.456 494 N N -0.353 118.244 118.700 -0.172 0.000 2.171 494 N HA 0.131 4.858 4.740 -0.022 0.000 0.212 494 N C -0.501 175.013 175.510 0.007 0.000 1.184 494 N CA -0.189 52.736 53.050 -0.209 0.000 0.888 494 N CB 0.938 39.036 38.487 -0.648 0.000 1.038 494 N HN 0.053 nan 8.380 nan 0.000 0.517 495 L N 2.012 123.297 121.223 0.102 0.000 2.436 495 L HA 0.282 4.608 4.340 -0.022 0.000 0.265 495 L C -1.671 175.201 176.870 0.004 0.000 1.168 495 L CA -1.396 53.506 54.840 0.102 0.000 0.815 495 L CB 0.187 42.316 42.059 0.116 0.000 1.109 495 L HN -0.138 nan 8.230 nan 0.000 0.462 496 P HA 0.078 nan 4.420 nan 0.000 0.293 496 P C -0.916 176.326 177.300 -0.097 0.000 1.285 496 P CA -0.284 62.780 63.100 -0.061 0.000 0.775 496 P CB 0.419 32.077 31.700 -0.070 0.000 1.351 497 S N -2.757 112.864 115.700 -0.131 0.000 2.697 497 S HA 0.347 4.804 4.470 -0.022 0.000 0.289 497 S C 0.904 175.339 174.600 -0.276 0.000 1.149 497 S CA -0.725 57.372 58.200 -0.171 0.000 0.850 497 S CB 0.717 63.838 63.200 -0.130 0.000 1.151 497 S HN 0.056 nan 8.310 nan 0.000 0.491 498 V N 1.596 121.266 119.914 -0.406 0.000 2.295 498 V HA -0.169 3.938 4.120 -0.022 0.000 0.246 498 V C 2.643 178.124 176.094 -1.021 0.000 1.049 498 V CA 2.457 64.324 62.300 -0.720 0.000 1.024 498 V CB -1.691 29.594 31.823 -0.896 0.000 0.648 498 V HN 0.944 nan 8.190 nan 0.000 0.447 499 S N 1.057 116.154 115.700 -1.006 0.000 2.381 499 S HA -0.262 4.195 4.470 -0.022 0.000 0.230 499 S C 2.019 176.449 174.600 -0.283 0.000 1.052 499 S CA 1.851 59.800 58.200 -0.418 0.000 1.068 499 S CB -1.029 62.232 63.200 0.101 0.000 0.918 499 S HN 0.719 nan 8.310 nan 0.000 0.448 500 G N 1.515 110.174 108.800 -0.234 0.000 2.454 500 G HA2 -0.087 3.860 3.960 -0.022 0.000 0.214 500 G HA3 -0.087 3.860 3.960 -0.022 0.000 0.214 500 G C 1.251 176.048 174.900 -0.172 0.000 1.217 500 G CA 0.658 45.665 45.100 -0.155 0.000 0.799 500 G HN 0.407 nan 8.290 nan 0.000 0.538 501 L N 0.650 121.753 121.223 -0.201 0.000 2.357 501 L HA 0.005 4.332 4.340 -0.022 0.000 0.220 501 L C 2.504 179.276 176.870 -0.163 0.000 1.123 501 L CA 1.105 55.848 54.840 -0.163 0.000 0.782 501 L CB -0.328 41.632 42.059 -0.165 0.000 0.910 501 L HN 0.232 nan 8.230 nan 0.000 0.442 502 L N -1.193 119.900 121.223 -0.216 0.000 2.049 502 L HA -0.165 4.162 4.340 -0.022 0.000 0.203 502 L C 2.365 179.176 176.870 -0.099 0.000 1.074 502 L CA 1.141 55.878 54.840 -0.172 0.000 0.749 502 L CB -0.416 41.505 42.059 -0.230 0.000 0.907 502 L HN 0.131 nan 8.230 nan 0.000 0.439 503 K N 0.105 120.452 120.400 -0.089 0.000 2.442 503 K HA -0.095 4.212 4.320 -0.022 0.000 0.198 503 K C 1.855 178.429 176.600 -0.044 0.000 1.044 503 K CA 0.983 57.240 56.287 -0.050 0.000 0.948 503 K CB -0.087 32.390 32.500 -0.039 0.000 0.762 503 K HN 0.358 nan 8.250 nan 0.000 0.472 504 I N 0.271 120.806 120.570 -0.058 0.000 2.480 504 I HA -0.179 3.978 4.170 -0.022 0.000 0.251 504 I C 1.983 178.077 176.117 -0.039 0.000 1.124 504 I CA 0.911 62.184 61.300 -0.045 0.000 1.444 504 I CB -0.121 37.849 38.000 -0.050 0.000 1.098 504 I HN 0.043 nan 8.210 nan 0.000 0.428 505 I N 0.671 121.212 120.570 -0.048 0.000 2.286 505 I HA -0.044 4.113 4.170 -0.022 0.000 0.245 505 I C 1.658 177.759 176.117 -0.028 0.000 1.104 505 I CA 0.650 61.928 61.300 -0.038 0.000 1.397 505 I CB -0.672 37.301 38.000 -0.045 0.000 1.072 505 I HN 0.156 nan 8.210 nan 0.000 0.417 506 G N 0.000 108.782 108.800 -0.031 0.000 5.446 506 G HA2 0.000 3.947 3.960 -0.022 0.000 0.244 506 G HA3 0.000 3.947 3.960 -0.022 0.000 0.244 506 G CA 0.000 45.089 45.100 -0.019 0.000 0.502 506 G HN 0.000 nan 8.290 nan 0.000 0.925