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 2wbi_1_A DATA FIRST_RESID 22 DATA SEQUENCE VQTRKGQEVL IKVKHFMKQH ILPAEKEVTE XXXXXXXXXX KWGKPLVIDK DATA SEQUENCE LKEMAKVEGL WNLFLPAVSG LSHVDYALIA EETGKCFFAP DVFNCQAPDT DATA SEQUENCE GNMEVLHLYG SEEQKKQWLE PLLQGNITSC FCMTEPDVAS SDATNIECSI DATA SEQUENCE QRDEDSYVIN GKKWWSSGAG NPKCKIAIVL GRTQNTSLSR HKQHSMILVP DATA SEQUENCE MNTPGVKIIR PLSVFGYTDN FHGGHFEIHF NQVRVPATNL ILGEGRGFEI DATA SEQUENCE SQGRLGPGRI HHCMRTVGLA ERALQIMCER ATQRIAFKKK LYAHEVVAHW DATA SEQUENCE IAESRIAIEK IRLLTLKAAH SMDTLGSAGA KKEIAMIKVA APRAVSKIVD DATA SEQUENCE WAIQVCGGAG VSQDYPLANM YAITRVLRLA DGPDEVHLSA IATMELRDQA DATA SEQUENCE KRLT 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 22 V HA 0.000 nan 4.120 nan 0.000 0.244 22 V C 0.000 176.101 176.094 0.012 0.000 1.182 22 V CA 0.000 62.293 62.300 -0.012 0.000 1.235 22 V CB 0.000 31.810 31.823 -0.021 0.000 1.184 23 Q N 1.699 121.504 119.800 0.008 0.000 2.354 23 Q HA 0.496 4.835 4.340 -0.001 0.000 0.244 23 Q C 0.046 176.053 176.000 0.012 0.000 0.969 23 Q CA 0.504 56.316 55.803 0.014 0.000 0.885 23 Q CB 1.591 30.334 28.738 0.007 0.000 1.241 23 Q HN 0.816 nan 8.270 nan 0.000 0.461 24 T N -0.589 113.972 114.554 0.011 0.000 2.874 24 T HA 0.390 4.740 4.350 -0.001 0.000 0.281 24 T C 1.204 175.903 174.700 -0.001 0.000 0.994 24 T CA 0.082 62.185 62.100 0.004 0.000 1.015 24 T CB 1.291 70.158 68.868 -0.001 0.000 1.028 24 T HN 0.785 nan 8.240 nan 0.000 0.523 25 R N 1.094 121.592 120.500 -0.004 0.000 2.081 25 R HA 0.001 4.341 4.340 -0.001 0.000 0.235 25 R C 2.400 178.694 176.300 -0.009 0.000 1.131 25 R CA 2.163 58.260 56.100 -0.006 0.000 0.960 25 R CB -1.612 28.684 30.300 -0.006 0.000 0.856 25 R HN 0.829 nan 8.270 nan 0.000 0.436 26 K N -0.427 119.966 120.400 -0.013 0.000 2.032 26 K HA -0.103 4.216 4.320 -0.001 0.000 0.209 26 K C 2.488 179.077 176.600 -0.018 0.000 1.048 26 K CA 1.543 57.820 56.287 -0.018 0.000 0.927 26 K CB -0.712 31.773 32.500 -0.025 0.000 0.712 26 K HN 0.471 nan 8.250 nan 0.000 0.441 27 G N 1.073 109.865 108.800 -0.014 0.000 2.505 27 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.220 27 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.220 27 G C 1.395 176.291 174.900 -0.006 0.000 1.145 27 G CA 1.010 46.106 45.100 -0.007 0.000 0.761 27 G HN 0.454 nan 8.290 nan 0.000 0.571 28 Q N -0.076 119.721 119.800 -0.005 0.000 2.079 28 Q HA -0.063 4.277 4.340 -0.001 0.000 0.200 28 Q C 2.806 178.803 176.000 -0.006 0.000 0.974 28 Q CA 1.932 57.733 55.803 -0.004 0.000 0.840 28 Q CB -0.232 28.504 28.738 -0.003 0.000 0.898 28 Q HN 0.579 nan 8.270 nan 0.000 0.430 29 E N -0.188 120.007 120.200 -0.009 0.000 2.047 29 E HA -0.125 4.225 4.350 -0.001 0.000 0.191 29 E C 1.913 178.507 176.600 -0.011 0.000 0.987 29 E CA 1.475 57.870 56.400 -0.009 0.000 0.799 29 E CB -1.021 28.672 29.700 -0.011 0.000 0.752 29 E HN 0.290 nan 8.360 nan 0.000 0.449 30 V N 0.465 120.366 119.914 -0.020 0.000 2.407 30 V HA -0.203 3.916 4.120 -0.001 0.000 0.248 30 V C 2.672 178.741 176.094 -0.041 0.000 1.055 30 V CA 1.736 64.014 62.300 -0.038 0.000 1.049 30 V CB -0.463 31.329 31.823 -0.052 0.000 0.662 30 V HN 0.558 nan 8.190 nan 0.000 0.455 31 L N 0.128 121.337 121.223 -0.024 0.000 2.017 31 L HA -0.150 4.190 4.340 -0.001 0.000 0.208 31 L C 2.198 179.072 176.870 0.008 0.000 1.073 31 L CA 1.908 56.739 54.840 -0.016 0.000 0.745 31 L CB -0.555 41.499 42.059 -0.008 0.000 0.894 31 L HN 0.220 nan 8.230 nan 0.000 0.432 32 I N -0.528 120.050 120.570 0.013 0.000 2.208 32 I HA -0.357 3.812 4.170 -0.001 0.000 0.245 32 I C 2.482 178.639 176.117 0.067 0.000 1.097 32 I CA 1.604 62.923 61.300 0.032 0.000 1.363 32 I CB -0.415 37.593 38.000 0.012 0.000 1.051 32 I HN 0.300 nan 8.210 nan 0.000 0.413 33 K N 0.244 120.676 120.400 0.053 0.000 2.057 33 K HA -0.137 4.182 4.320 -0.001 0.000 0.207 33 K C 2.071 178.768 176.600 0.162 0.000 1.049 33 K CA 1.226 57.576 56.287 0.104 0.000 0.931 33 K CB -0.188 32.346 32.500 0.056 0.000 0.714 33 K HN 0.149 nan 8.250 nan 0.000 0.440 34 V N 1.901 121.846 119.914 0.051 0.000 2.295 34 V HA -0.262 3.858 4.120 -0.001 0.000 0.246 34 V C 2.061 178.277 176.094 0.204 0.000 1.049 34 V CA 1.689 64.014 62.300 0.042 0.000 1.024 34 V CB -0.362 31.372 31.823 -0.148 0.000 0.648 34 V HN 0.301 nan 8.190 nan 0.000 0.447 35 K N -0.699 119.786 120.400 0.143 0.000 2.044 35 K HA -0.278 4.042 4.320 -0.001 0.000 0.210 35 K C 2.202 178.908 176.600 0.176 0.000 1.049 35 K CA 2.197 58.568 56.287 0.140 0.000 0.927 35 K CB -0.421 32.136 32.500 0.096 0.000 0.713 35 K HN 0.544 nan 8.250 nan 0.000 0.443 36 H N 0.130 119.263 119.070 0.105 0.000 2.267 36 H HA -0.159 4.397 4.556 -0.001 0.000 0.297 36 H C 1.868 177.255 175.328 0.097 0.000 1.080 36 H CA 2.056 58.149 56.048 0.076 0.000 1.278 36 H CB -0.456 29.352 29.762 0.077 0.000 1.365 36 H HN 0.168 nan 8.280 nan 0.000 0.489 37 F N -0.238 119.788 119.950 0.127 0.000 2.120 37 F HA -0.316 4.210 4.527 -0.001 0.000 0.300 37 F C 2.595 178.450 175.800 0.092 0.000 1.095 37 F CA 1.920 60.021 58.000 0.169 0.000 1.249 37 F CB -0.312 38.922 39.000 0.391 0.000 0.995 37 F HN 0.276 nan 8.300 nan 0.000 0.480 38 M N 0.525 120.338 119.600 0.354 0.000 2.065 38 M HA -0.238 4.241 4.480 -0.001 0.000 0.259 38 M C 2.085 178.386 176.300 0.001 0.000 1.071 38 M CA 1.875 57.291 55.300 0.193 0.000 1.109 38 M CB -0.435 32.267 32.600 0.170 0.000 1.313 38 M HN -0.154 nan 8.290 nan 0.000 0.408 39 K N -0.599 119.771 120.400 -0.051 0.000 2.147 39 K HA -0.148 4.172 4.320 -0.001 0.000 0.205 39 K C 2.199 178.663 176.600 -0.227 0.000 1.049 39 K CA 1.920 58.138 56.287 -0.115 0.000 0.936 39 K CB -0.488 31.955 32.500 -0.096 0.000 0.722 39 K HN 0.663 nan 8.250 nan 0.000 0.446 40 Q N 0.145 119.692 119.800 -0.421 0.000 2.373 40 Q HA -0.015 4.324 4.340 -0.001 0.000 0.210 40 Q C 1.548 177.134 176.000 -0.691 0.000 0.913 40 Q CA 0.682 56.101 55.803 -0.639 0.000 0.911 40 Q CB -0.083 28.060 28.738 -0.991 0.000 1.040 40 Q HN 0.422 nan 8.270 nan 0.000 0.521 41 H N -1.446 117.418 119.070 -0.345 0.000 2.179 41 H HA 0.330 4.885 4.556 -0.001 0.000 0.246 41 H C 2.128 177.360 175.328 -0.159 0.000 0.904 41 H CA 0.631 56.463 56.048 -0.359 0.000 1.113 41 H CB 0.193 29.480 29.762 -0.792 0.000 1.396 41 H HN 0.333 nan 8.280 nan 0.000 0.484 42 I N 1.390 121.974 120.570 0.023 0.000 2.090 42 I HA -0.257 3.913 4.170 -0.001 0.000 0.236 42 I C 2.444 178.588 176.117 0.045 0.000 1.064 42 I CA 1.255 62.611 61.300 0.093 0.000 1.324 42 I CB -0.360 37.655 38.000 0.024 0.000 1.044 42 I HN 0.021 nan 8.210 nan 0.000 0.399 43 L N 0.364 121.569 121.223 -0.031 0.000 2.013 43 L HA -0.178 4.161 4.340 -0.001 0.000 0.212 43 L C -0.359 176.524 176.870 0.022 0.000 1.073 43 L CA 1.578 56.400 54.840 -0.029 0.000 0.753 43 L CB -2.105 39.928 42.059 -0.042 0.000 0.890 43 L HN 0.216 nan 8.230 nan 0.000 0.432 44 P HA -0.148 nan 4.420 nan 0.000 0.223 44 P C 0.996 178.328 177.300 0.053 0.000 1.144 44 P CA 1.437 64.544 63.100 0.013 0.000 0.783 44 P CB 0.008 31.696 31.700 -0.019 0.000 0.771 45 A N -0.888 121.997 122.820 0.110 0.000 2.195 45 A HA -0.025 4.294 4.320 -0.001 0.000 0.210 45 A C 2.191 179.884 177.584 0.182 0.000 1.165 45 A CA 0.361 52.475 52.037 0.129 0.000 0.806 45 A CB -0.789 18.301 19.000 0.150 0.000 0.847 45 A HN 0.104 nan 8.150 nan 0.000 0.482 46 E N 0.648 121.025 120.200 0.295 0.000 2.049 46 E HA -0.280 4.069 4.350 -0.001 0.000 0.198 46 E C 2.409 179.118 176.600 0.182 0.000 1.007 46 E CA 2.240 58.842 56.400 0.337 0.000 0.809 46 E CB -0.245 29.573 29.700 0.198 0.000 0.749 46 E HN 0.555 nan 8.360 nan 0.000 0.450 47 K N 1.286 121.749 120.400 0.105 0.000 2.015 47 K HA -0.306 4.013 4.320 -0.001 0.000 0.216 47 K C 1.830 178.458 176.600 0.046 0.000 1.052 47 K CA 2.192 58.517 56.287 0.063 0.000 0.937 47 K CB -1.341 31.180 32.500 0.035 0.000 0.719 47 K HN 0.535 nan 8.250 nan 0.000 0.446 48 E N 0.079 120.293 120.200 0.024 0.000 2.031 48 E HA -0.148 4.202 4.350 -0.001 0.000 0.193 48 E C 2.081 178.666 176.600 -0.024 0.000 0.994 48 E CA 1.558 57.956 56.400 -0.003 0.000 0.800 48 E CB -0.204 29.486 29.700 -0.016 0.000 0.752 48 E HN 0.246 nan 8.360 nan 0.000 0.447 49 V N 1.346 121.205 119.914 -0.092 0.000 2.332 49 V HA -0.297 3.822 4.120 -0.001 0.000 0.248 49 V C 2.883 178.985 176.094 0.014 0.000 1.055 49 V CA 2.588 64.778 62.300 -0.185 0.000 1.038 49 V CB -1.628 29.731 31.823 -0.774 0.000 0.651 49 V HN 0.687 nan 8.190 nan 0.000 0.450 50 T N -0.213 114.411 114.554 0.117 0.000 2.674 50 T HA -0.055 4.295 4.350 -0.001 0.000 0.265 50 T C 1.148 175.874 174.700 0.042 0.000 1.039 50 T CA 2.098 64.277 62.100 0.132 0.000 1.150 50 T CB -0.434 68.530 68.868 0.159 0.000 0.864 50 T HN 0.647 nan 8.240 nan 0.000 0.427 63 W N 1.002 122.312 121.300 0.018 0.000 3.005 63 W HA 0.425 5.085 4.660 -0.001 0.000 0.374 63 W C 0.967 177.458 176.519 -0.047 0.000 1.076 63 W CA 0.279 57.635 57.345 0.018 0.000 1.794 63 W CB 1.295 30.791 29.460 0.061 0.000 1.113 63 W HN 0.919 nan 8.180 nan 0.000 0.584 64 G N 0.754 109.582 108.800 0.047 0.000 2.971 64 G HA2 0.646 4.606 3.960 -0.001 0.000 0.235 64 G HA3 0.646 4.606 3.960 -0.001 0.000 0.235 64 G C -0.664 174.124 174.900 -0.187 0.000 1.351 64 G CA -0.861 44.208 45.100 -0.052 0.000 1.039 64 G HN -0.203 nan 8.290 nan 0.000 0.563 65 K N 1.016 121.301 120.400 -0.192 0.000 2.316 65 K HA 0.414 4.733 4.320 -0.001 0.000 0.251 65 K C -2.358 174.185 176.600 -0.095 0.000 0.934 65 K CA -1.355 54.779 56.287 -0.254 0.000 0.802 65 K CB 2.209 34.503 32.500 -0.344 0.000 1.171 65 K HN 0.362 nan 8.250 nan 0.000 0.426 66 P HA 0.078 nan 4.420 nan 0.000 0.271 66 P C 0.726 178.015 177.300 -0.018 0.000 1.233 66 P CA -0.305 62.785 63.100 -0.016 0.000 0.789 66 P CB 0.771 32.471 31.700 -0.000 0.000 0.951 67 L N 1.258 122.473 121.223 -0.013 0.000 2.079 67 L HA -0.215 4.125 4.340 -0.001 0.000 0.210 67 L C 2.892 179.760 176.870 -0.004 0.000 1.081 67 L CA 1.712 56.549 54.840 -0.006 0.000 0.752 67 L CB -1.307 40.749 42.059 -0.005 0.000 0.896 67 L HN 0.327 nan 8.230 nan 0.000 0.433 68 V N -0.076 119.829 119.914 -0.015 0.000 2.317 68 V HA -0.342 3.778 4.120 -0.001 0.000 0.251 68 V C 2.427 178.524 176.094 0.006 0.000 1.065 68 V CA 2.566 64.857 62.300 -0.015 0.000 1.049 68 V CB -0.568 31.229 31.823 -0.044 0.000 0.651 68 V HN 0.196 nan 8.190 nan 0.000 0.450 69 I N 0.286 120.854 120.570 -0.004 0.000 2.194 69 I HA -0.252 3.918 4.170 -0.001 0.000 0.246 69 I C 2.294 178.460 176.117 0.081 0.000 1.093 69 I CA 2.409 63.740 61.300 0.051 0.000 1.355 69 I CB -1.316 36.718 38.000 0.055 0.000 1.046 69 I HN 0.476 nan 8.210 nan 0.000 0.413 70 D N 1.028 121.459 120.400 0.051 0.000 2.097 70 D HA -0.136 4.504 4.640 -0.001 0.000 0.197 70 D C 2.378 178.707 176.300 0.049 0.000 0.984 70 D CA 2.065 56.097 54.000 0.054 0.000 0.826 70 D CB 0.035 40.854 40.800 0.030 0.000 0.973 70 D HN 0.334 nan 8.370 nan 0.000 0.460 71 K N 0.404 120.825 120.400 0.035 0.000 2.057 71 K HA -0.101 4.219 4.320 -0.001 0.000 0.207 71 K C 2.076 178.710 176.600 0.056 0.000 1.049 71 K CA 1.055 57.357 56.287 0.025 0.000 0.931 71 K CB -1.057 31.447 32.500 0.007 0.000 0.714 71 K HN 0.051 nan 8.250 nan 0.000 0.440 72 L N 1.116 122.397 121.223 0.096 0.000 2.017 72 L HA -0.089 4.250 4.340 -0.001 0.000 0.208 72 L C 2.505 179.516 176.870 0.235 0.000 1.073 72 L CA 1.957 56.912 54.840 0.192 0.000 0.745 72 L CB -0.563 41.628 42.059 0.221 0.000 0.894 72 L HN 0.410 nan 8.230 nan 0.000 0.432 73 K N -0.538 119.974 120.400 0.185 0.000 2.020 73 K HA -0.245 4.075 4.320 -0.001 0.000 0.212 73 K C 2.178 178.793 176.600 0.024 0.000 1.050 73 K CA 1.968 58.383 56.287 0.213 0.000 0.929 73 K CB -0.383 32.272 32.500 0.258 0.000 0.714 73 K HN 0.480 nan 8.250 nan 0.000 0.443 74 E N 1.375 121.564 120.200 -0.018 0.000 2.058 74 E HA -0.237 4.112 4.350 -0.001 0.000 0.194 74 E C 1.842 178.420 176.600 -0.037 0.000 0.997 74 E CA 1.994 58.343 56.400 -0.086 0.000 0.801 74 E CB -0.778 28.892 29.700 -0.051 0.000 0.746 74 E HN 0.339 nan 8.360 nan 0.000 0.450 75 M N 0.034 119.671 119.600 0.062 0.000 2.082 75 M HA -0.111 4.368 4.480 -0.001 0.000 0.258 75 M C 2.842 179.264 176.300 0.205 0.000 1.069 75 M CA 1.905 57.290 55.300 0.141 0.000 1.102 75 M CB -0.257 32.448 32.600 0.176 0.000 1.336 75 M HN 0.464 nan 8.290 nan 0.000 0.404 76 A N 0.239 123.169 122.820 0.182 0.000 1.908 76 A HA -0.198 4.121 4.320 -0.001 0.000 0.218 76 A C 2.114 179.735 177.584 0.061 0.000 1.181 76 A CA 1.837 53.907 52.037 0.054 0.000 0.627 76 A CB -0.584 18.503 19.000 0.145 0.000 0.818 76 A HN 0.437 nan 8.150 nan 0.000 0.445 77 K N -0.589 119.739 120.400 -0.118 0.000 2.032 77 K HA -0.111 4.209 4.320 -0.001 0.000 0.209 77 K C 1.925 178.451 176.600 -0.124 0.000 1.048 77 K CA 1.549 57.653 56.287 -0.305 0.000 0.927 77 K CB -0.463 31.685 32.500 -0.586 0.000 0.712 77 K HN 0.291 nan 8.250 nan 0.000 0.441 78 V N 1.870 121.743 119.914 -0.069 0.000 2.287 78 V HA -0.239 3.880 4.120 -0.001 0.000 0.248 78 V C 1.599 177.706 176.094 0.022 0.000 1.053 78 V CA 1.829 64.117 62.300 -0.021 0.000 1.027 78 V CB -0.367 31.457 31.823 0.001 0.000 0.646 78 V HN 0.362 nan 8.190 nan 0.000 0.447 79 E N -0.529 119.710 120.200 0.066 0.000 2.494 79 E HA 0.176 4.525 4.350 -0.001 0.000 0.193 79 E C 1.626 178.257 176.600 0.052 0.000 1.074 79 E CA 0.531 56.982 56.400 0.085 0.000 0.867 79 E CB -0.010 29.789 29.700 0.165 0.000 0.924 79 E HN 0.679 nan 8.360 nan 0.000 0.502 80 G N 1.573 110.396 108.800 0.038 0.000 2.168 80 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.263 80 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.263 80 G C 0.307 175.253 174.900 0.076 0.000 0.977 80 G CA 0.018 45.147 45.100 0.048 0.000 0.659 80 G HN 0.262 nan 8.290 nan 0.000 0.533 81 L N 0.314 121.576 121.223 0.065 0.000 2.395 81 L HA 0.487 4.826 4.340 -0.001 0.000 0.268 81 L C 0.166 177.194 176.870 0.264 0.000 1.223 81 L CA -0.435 54.397 54.840 -0.013 0.000 1.093 81 L CB 0.027 41.937 42.059 -0.249 0.000 1.349 81 L HN 0.328 nan 8.230 nan 0.000 0.427 82 W N 4.584 125.864 121.300 -0.034 0.000 3.800 82 W HA 0.103 4.762 4.660 -0.001 0.000 0.299 82 W C -0.368 176.162 176.519 0.018 0.000 1.231 82 W CA -0.660 56.715 57.345 0.051 0.000 1.232 82 W CB 1.602 31.087 29.460 0.042 0.000 1.291 82 W HN 0.488 nan 8.180 nan 0.000 0.514 83 N N 3.471 121.985 118.700 -0.309 0.000 2.714 83 N HA -0.251 4.488 4.740 -0.001 0.000 0.250 83 N C 1.019 176.342 175.510 -0.311 0.000 1.117 83 N CA 1.609 54.537 53.050 -0.202 0.000 0.719 83 N CB -1.570 36.787 38.487 -0.217 0.000 1.081 83 N HN 0.568 nan 8.380 nan 0.000 0.557 84 L N -0.722 120.389 121.223 -0.186 0.000 2.263 84 L HA -0.173 4.166 4.340 -0.001 0.000 0.216 84 L C 2.258 178.735 176.870 -0.654 0.000 1.111 84 L CA 1.689 56.356 54.840 -0.287 0.000 0.773 84 L CB -0.632 41.351 42.059 -0.126 0.000 0.906 84 L HN 0.368 nan 8.230 nan 0.000 0.439 85 F N -0.841 118.536 119.950 -0.955 0.000 2.502 85 F HA 0.077 4.604 4.527 -0.001 0.000 0.298 85 F C 0.896 176.294 175.800 -0.670 0.000 1.111 85 F CA 0.062 57.235 58.000 -1.379 0.000 1.445 85 F CB -0.212 38.170 39.000 -1.031 0.000 1.081 85 F HN -0.101 nan 8.300 nan 0.000 0.558 86 L N 2.519 122.912 121.223 -1.382 0.000 2.283 86 L HA 0.377 4.716 4.340 -0.001 0.000 0.281 86 L C -1.629 174.873 176.870 -0.614 0.000 1.033 86 L CA -2.161 52.045 54.840 -1.056 0.000 0.848 86 L CB 1.032 42.309 42.059 -1.304 0.000 1.226 86 L HN -0.225 nan 8.230 nan 0.000 0.429 87 P HA -0.269 nan 4.420 nan 0.000 0.215 87 P C 1.306 178.447 177.300 -0.265 0.000 1.163 87 P CA 1.820 64.707 63.100 -0.354 0.000 0.894 87 P CB 0.205 31.695 31.700 -0.349 0.000 0.791 88 A N -1.504 121.163 122.820 -0.255 0.000 2.186 88 A HA -0.124 4.196 4.320 -0.001 0.000 0.219 88 A C 2.081 179.592 177.584 -0.122 0.000 1.159 88 A CA 1.761 53.718 52.037 -0.134 0.000 0.680 88 A CB -1.226 17.769 19.000 -0.007 0.000 0.787 88 A HN 0.138 nan 8.150 nan 0.000 0.467 89 V N -1.026 118.766 119.914 -0.203 0.000 3.013 89 V HA -0.053 4.067 4.120 -0.001 0.000 0.238 89 V C 2.583 178.586 176.094 -0.151 0.000 1.161 89 V CA 1.404 63.611 62.300 -0.156 0.000 1.170 89 V CB 0.060 31.771 31.823 -0.186 0.000 0.917 89 V HN 0.681 nan 8.190 nan 0.000 0.478 90 S N 0.799 116.366 115.700 -0.222 0.000 2.461 90 S HA 0.123 4.592 4.470 -0.001 0.000 0.228 90 S C 1.773 176.290 174.600 -0.139 0.000 1.005 90 S CA 0.929 59.018 58.200 -0.185 0.000 0.942 90 S CB 0.038 63.081 63.200 -0.261 0.000 0.776 90 S HN 1.318 nan 8.310 nan 0.000 0.514 91 G N 1.036 109.749 108.800 -0.145 0.000 2.179 91 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.257 91 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.257 91 G C -0.163 174.670 174.900 -0.113 0.000 1.010 91 G CA 0.584 45.617 45.100 -0.112 0.000 0.736 91 G HN 0.566 nan 8.290 nan 0.000 0.513 92 L N 1.049 122.181 121.223 -0.151 0.000 2.325 92 L HA 0.614 4.954 4.340 -0.001 0.000 0.278 92 L C 1.241 178.009 176.870 -0.170 0.000 1.023 92 L CA -0.442 54.322 54.840 -0.127 0.000 0.811 92 L CB 1.782 43.777 42.059 -0.107 0.000 1.249 92 L HN 0.370 nan 8.230 nan 0.000 0.431 93 S N -0.510 115.125 115.700 -0.108 0.000 2.614 93 S HA 0.127 4.596 4.470 -0.001 0.000 0.265 93 S C 0.895 175.435 174.600 -0.099 0.000 1.303 93 S CA -0.321 57.804 58.200 -0.124 0.000 1.000 93 S CB 0.662 63.851 63.200 -0.018 0.000 0.935 93 S HN 0.640 nan 8.310 nan 0.000 0.551 94 H N 0.386 119.500 119.070 0.073 0.000 2.387 94 H HA -0.035 4.520 4.556 -0.001 0.000 0.299 94 H C 1.915 177.322 175.328 0.132 0.000 1.090 94 H CA 1.641 57.770 56.048 0.134 0.000 1.332 94 H CB -0.413 29.410 29.762 0.101 0.000 1.386 94 H HN 0.366 nan 8.280 nan 0.000 0.516 95 V N 1.077 121.111 119.914 0.201 0.000 2.255 95 V HA -0.298 3.821 4.120 -0.001 0.000 0.247 95 V C 1.857 178.010 176.094 0.098 0.000 1.051 95 V CA 2.115 64.497 62.300 0.138 0.000 1.018 95 V CB -0.369 31.534 31.823 0.132 0.000 0.641 95 V HN 0.517 nan 8.190 nan 0.000 0.445 96 D N -0.996 119.453 120.400 0.082 0.000 2.116 96 D HA -0.236 4.404 4.640 -0.001 0.000 0.193 96 D C 1.983 178.345 176.300 0.102 0.000 0.998 96 D CA 1.879 55.916 54.000 0.062 0.000 0.836 96 D CB -0.340 40.479 40.800 0.032 0.000 0.951 96 D HN 0.587 nan 8.370 nan 0.000 0.449 97 Y N 1.504 121.801 120.300 -0.004 0.000 2.263 97 Y HA -0.017 4.533 4.550 -0.001 0.000 0.292 97 Y C 2.233 178.152 175.900 0.033 0.000 1.130 97 Y CA 0.928 59.028 58.100 0.001 0.000 1.179 97 Y CB -0.513 37.952 38.460 0.009 0.000 0.998 97 Y HN -0.057 nan 8.280 nan 0.000 0.532 98 A N 0.461 123.246 122.820 -0.058 0.000 1.892 98 A HA -0.236 4.084 4.320 -0.001 0.000 0.218 98 A C 2.255 179.748 177.584 -0.151 0.000 1.188 98 A CA 2.267 54.232 52.037 -0.121 0.000 0.631 98 A CB -1.255 17.746 19.000 0.002 0.000 0.822 98 A HN 0.519 nan 8.150 nan 0.000 0.447 99 L N -0.913 120.259 121.223 -0.084 0.000 2.093 99 L HA -0.135 4.205 4.340 -0.001 0.000 0.208 99 L C 2.406 179.220 176.870 -0.095 0.000 1.085 99 L CA 1.118 55.918 54.840 -0.067 0.000 0.755 99 L CB -0.416 41.627 42.059 -0.028 0.000 0.904 99 L HN 0.369 nan 8.230 nan 0.000 0.435 100 I N -0.394 120.099 120.570 -0.128 0.000 2.233 100 I HA -0.238 3.932 4.170 -0.001 0.000 0.243 100 I C 2.727 178.718 176.117 -0.210 0.000 1.093 100 I CA 1.164 62.389 61.300 -0.124 0.000 1.380 100 I CB -0.448 37.533 38.000 -0.033 0.000 1.067 100 I HN 0.170 nan 8.210 nan 0.000 0.413 101 A N 0.153 122.675 122.820 -0.498 0.000 1.933 101 A HA -0.266 4.054 4.320 -0.001 0.000 0.218 101 A C 2.304 179.770 177.584 -0.197 0.000 1.175 101 A CA 1.868 53.621 52.037 -0.473 0.000 0.628 101 A CB -0.675 17.850 19.000 -0.792 0.000 0.814 101 A HN 0.520 nan 8.150 nan 0.000 0.444 102 E N -0.368 119.738 120.200 -0.157 0.000 2.085 102 E HA -0.291 4.059 4.350 -0.001 0.000 0.194 102 E C 1.895 178.472 176.600 -0.039 0.000 0.994 102 E CA 1.654 58.009 56.400 -0.074 0.000 0.801 102 E CB -0.131 29.535 29.700 -0.057 0.000 0.743 102 E HN 0.559 nan 8.360 nan 0.000 0.453 103 E N -0.260 119.922 120.200 -0.032 0.000 2.077 103 E HA -0.155 4.194 4.350 -0.001 0.000 0.193 103 E C 2.127 178.744 176.600 0.028 0.000 0.989 103 E CA 1.960 58.365 56.400 0.009 0.000 0.800 103 E CB -0.380 29.337 29.700 0.028 0.000 0.746 103 E HN 0.504 nan 8.360 nan 0.000 0.452 104 T N -2.646 111.933 114.554 0.041 0.000 2.833 104 T HA -0.107 4.243 4.350 -0.001 0.000 0.269 104 T C 2.053 176.752 174.700 -0.001 0.000 1.054 104 T CA 1.257 63.392 62.100 0.058 0.000 1.135 104 T CB -0.801 68.134 68.868 0.112 0.000 0.869 104 T HN 0.184 nan 8.240 nan 0.000 0.466 105 G N 1.313 110.109 108.800 -0.006 0.000 2.501 105 G HA2 -0.129 3.831 3.960 -0.001 0.000 0.220 105 G HA3 -0.129 3.831 3.960 -0.001 0.000 0.220 105 G C 1.552 176.453 174.900 0.002 0.000 1.114 105 G CA 0.433 45.534 45.100 0.001 0.000 0.757 105 G HN 0.585 nan 8.290 nan 0.000 0.559 106 K N -1.066 119.328 120.400 -0.010 0.000 2.525 106 K HA 0.182 4.501 4.320 -0.001 0.000 0.192 106 K C 0.116 176.692 176.600 -0.040 0.000 1.029 106 K CA -0.125 56.157 56.287 -0.010 0.000 1.029 106 K CB 0.147 32.643 32.500 -0.006 0.000 0.814 106 K HN 0.252 nan 8.250 nan 0.000 0.503 107 C N 0.150 119.393 119.300 -0.095 0.000 2.701 107 C HA 0.286 4.745 4.460 -0.001 0.000 0.336 107 C C 1.119 175.970 174.990 -0.231 0.000 1.123 107 C CA -1.476 57.403 59.018 -0.231 0.000 1.326 107 C CB 0.037 27.483 27.740 -0.490 0.000 1.833 107 C HN 0.572 nan 8.230 nan 0.000 0.473 108 F N 3.362 123.227 119.950 -0.143 0.000 2.365 108 F HA 0.114 4.641 4.527 -0.001 0.000 0.300 108 F C 1.008 176.892 175.800 0.140 0.000 1.090 108 F CA 1.233 59.244 58.000 0.019 0.000 1.408 108 F CB -0.600 38.432 39.000 0.054 0.000 1.060 108 F HN 0.529 nan 8.300 nan 0.000 0.534 109 F N -1.060 118.462 119.950 -0.713 0.000 2.678 109 F HA 0.698 5.224 4.527 -0.001 0.000 0.305 109 F C 1.806 177.516 175.800 -0.150 0.000 1.090 109 F CA -0.608 57.179 58.000 -0.354 0.000 1.272 109 F CB -1.160 37.487 39.000 -0.589 0.000 1.060 109 F HN 0.012 nan 8.300 nan 0.000 0.576 110 A N 1.970 124.523 122.820 -0.444 0.000 1.865 110 A HA -0.022 4.298 4.320 -0.001 0.000 0.217 110 A C -0.035 177.446 177.584 -0.172 0.000 1.191 110 A CA 1.588 53.426 52.037 -0.332 0.000 0.623 110 A CB -1.971 16.873 19.000 -0.259 0.000 0.826 110 A HN 0.308 nan 8.150 nan 0.000 0.444 111 P HA -0.152 nan 4.420 nan 0.000 0.216 111 P C 0.256 177.556 177.300 0.001 0.000 1.150 111 P CA 1.739 64.859 63.100 0.034 0.000 0.843 111 P CB -0.241 31.477 31.700 0.029 0.000 0.787 112 D N -1.160 119.271 120.400 0.051 0.000 2.117 112 D HA -0.116 4.524 4.640 -0.001 0.000 0.197 112 D C 1.860 178.174 176.300 0.023 0.000 0.987 112 D CA 0.849 54.893 54.000 0.073 0.000 0.829 112 D CB -0.775 40.159 40.800 0.223 0.000 0.961 112 D HN -0.060 nan 8.370 nan 0.000 0.460 113 V N 0.350 120.238 119.914 -0.042 0.000 2.392 113 V HA -0.221 3.898 4.120 -0.001 0.000 0.249 113 V C 1.225 177.272 176.094 -0.079 0.000 1.059 113 V CA 1.321 63.564 62.300 -0.096 0.000 1.051 113 V CB -0.458 31.180 31.823 -0.309 0.000 0.658 113 V HN 0.200 nan 8.190 nan 0.000 0.455 114 F N -0.364 119.601 119.950 0.026 0.000 2.660 114 F HA 0.347 4.873 4.527 -0.001 0.000 0.302 114 F C 1.156 176.696 175.800 -0.434 0.000 1.103 114 F CA -0.529 57.431 58.000 -0.065 0.000 1.340 114 F CB -1.415 37.559 39.000 -0.044 0.000 1.048 114 F HN 0.218 nan 8.300 nan 0.000 0.551 115 N N -0.776 117.653 118.700 -0.451 0.000 2.738 115 N HA -0.238 4.502 4.740 -0.001 0.000 0.249 115 N C 0.008 175.275 175.510 -0.406 0.000 1.047 115 N CA 0.542 53.190 53.050 -0.671 0.000 0.707 115 N CB -1.463 36.053 38.487 -1.618 0.000 0.937 115 N HN 0.285 nan 8.380 nan 0.000 0.545 116 C N 0.087 119.236 119.300 -0.253 0.000 3.255 116 C HA 0.191 4.651 4.460 -0.001 0.000 0.282 116 C C 0.443 175.247 174.990 -0.310 0.000 1.441 116 C CA -0.442 58.395 59.018 -0.302 0.000 1.785 116 C CB -0.662 27.082 27.740 0.006 0.000 2.583 116 C HN 0.533 nan 8.230 nan 0.000 0.615 117 Q N 1.390 121.048 119.800 -0.237 0.000 2.259 117 Q HA 0.645 4.985 4.340 -0.001 0.000 0.246 117 Q C -0.340 175.553 176.000 -0.178 0.000 0.920 117 Q CA 0.145 55.864 55.803 -0.139 0.000 0.895 117 Q CB 1.368 30.098 28.738 -0.013 0.000 1.220 117 Q HN 0.313 nan 8.270 nan 0.000 0.439 118 A N 3.611 126.356 122.820 -0.124 0.000 2.322 118 A HA 0.456 4.776 4.320 -0.001 0.000 0.269 118 A C -1.596 176.001 177.584 0.022 0.000 1.094 118 A CA -1.184 50.809 52.037 -0.073 0.000 0.807 118 A CB 0.022 18.983 19.000 -0.065 0.000 1.047 118 A HN 0.810 nan 8.150 nan 0.000 0.487 119 P HA 0.068 nan 4.420 nan 0.000 0.257 119 P C -0.095 177.201 177.300 -0.005 0.000 1.281 119 P CA 0.288 63.424 63.100 0.061 0.000 0.826 119 P CB 0.383 32.174 31.700 0.152 0.000 1.237 120 D N 0.216 120.586 120.400 -0.049 0.000 2.234 120 D HA -0.087 4.552 4.640 -0.001 0.000 0.205 120 D C 1.878 178.082 176.300 -0.160 0.000 0.962 120 D CA 1.709 55.666 54.000 -0.071 0.000 0.855 120 D CB -0.389 40.374 40.800 -0.061 0.000 0.951 120 D HN 0.303 nan 8.370 nan 0.000 0.500 121 T N -1.244 113.113 114.554 -0.327 0.000 2.777 121 T HA -0.073 4.276 4.350 -0.001 0.000 0.266 121 T C 2.210 176.833 174.700 -0.129 0.000 1.040 121 T CA 1.384 63.152 62.100 -0.552 0.000 1.141 121 T CB -0.802 67.525 68.868 -0.901 0.000 0.868 121 T HN 0.096 nan 8.240 nan 0.000 0.444 122 G N 1.779 110.523 108.800 -0.093 0.000 2.402 122 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.216 122 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.216 122 G C 1.726 176.587 174.900 -0.064 0.000 1.162 122 G CA 0.553 45.613 45.100 -0.067 0.000 0.777 122 G HN 0.449 nan 8.290 nan 0.000 0.539 123 N N 0.326 118.990 118.700 -0.061 0.000 2.166 123 N HA -0.028 4.712 4.740 -0.001 0.000 0.186 123 N C 2.293 177.839 175.510 0.060 0.000 1.019 123 N CA 0.857 53.896 53.050 -0.017 0.000 0.856 123 N CB -0.315 38.180 38.487 0.013 0.000 0.993 123 N HN 0.318 nan 8.380 nan 0.000 0.426 124 M N 0.443 120.098 119.600 0.092 0.000 2.067 124 M HA -0.176 4.303 4.480 -0.001 0.000 0.260 124 M C 2.111 178.519 176.300 0.179 0.000 1.069 124 M CA 1.436 56.837 55.300 0.169 0.000 1.117 124 M CB -0.286 32.468 32.600 0.257 0.000 1.334 124 M HN 0.021 nan 8.290 nan 0.000 0.407 125 E N 0.261 120.565 120.200 0.173 0.000 2.097 125 E HA -0.180 4.170 4.350 -0.001 0.000 0.196 125 E C 1.687 178.358 176.600 0.119 0.000 1.000 125 E CA 1.705 58.180 56.400 0.125 0.000 0.804 125 E CB -0.245 29.523 29.700 0.113 0.000 0.740 125 E HN 0.262 nan 8.360 nan 0.000 0.454 126 V N 0.371 120.359 119.914 0.124 0.000 2.287 126 V HA -0.276 3.844 4.120 -0.001 0.000 0.248 126 V C 2.424 178.657 176.094 0.232 0.000 1.053 126 V CA 1.963 64.391 62.300 0.213 0.000 1.027 126 V CB -0.463 31.441 31.823 0.134 0.000 0.646 126 V HN 0.333 nan 8.190 nan 0.000 0.447 127 L N -0.714 120.613 121.223 0.174 0.000 2.046 127 L HA -0.203 4.137 4.340 -0.001 0.000 0.208 127 L C 2.633 179.575 176.870 0.120 0.000 1.077 127 L CA 1.906 56.844 54.840 0.164 0.000 0.747 127 L CB -0.926 41.238 42.059 0.175 0.000 0.896 127 L HN 0.479 nan 8.230 nan 0.000 0.432 128 H N 0.719 119.803 119.070 0.023 0.000 2.319 128 H HA -0.159 4.396 4.556 -0.001 0.000 0.299 128 H C 2.170 177.435 175.328 -0.105 0.000 1.092 128 H CA 1.906 57.937 56.048 -0.028 0.000 1.302 128 H CB 0.116 29.857 29.762 -0.036 0.000 1.373 128 H HN 0.287 nan 8.280 nan 0.000 0.497 129 L N -0.754 120.409 121.223 -0.099 0.000 2.209 129 L HA -0.105 4.235 4.340 -0.001 0.000 0.207 129 L C 1.566 178.112 176.870 -0.540 0.000 1.094 129 L CA 0.762 55.344 54.840 -0.430 0.000 0.790 129 L CB -0.095 41.483 42.059 -0.801 0.000 0.932 129 L HN 0.229 nan 8.230 nan 0.000 0.447 130 Y N -1.215 119.106 120.300 0.036 0.000 2.432 130 Y HA 0.352 4.902 4.550 -0.001 0.000 0.252 130 Y C 1.499 177.417 175.900 0.030 0.000 1.097 130 Y CA -0.710 57.407 58.100 0.029 0.000 1.250 130 Y CB -0.407 38.075 38.460 0.035 0.000 1.245 130 Y HN -0.070 nan 8.280 nan 0.000 0.522 131 G N 1.430 110.323 108.800 0.154 0.000 2.432 131 G HA2 0.292 4.251 3.960 -0.001 0.000 0.239 131 G HA3 0.292 4.251 3.960 -0.001 0.000 0.239 131 G C 0.371 175.323 174.900 0.087 0.000 1.291 131 G CA -0.007 45.170 45.100 0.129 0.000 0.863 131 G HN 0.268 nan 8.290 nan 0.000 0.560 132 S N 1.357 117.113 115.700 0.094 0.000 2.608 132 S HA 0.150 4.620 4.470 -0.001 0.000 0.261 132 S C 1.173 175.806 174.600 0.055 0.000 1.314 132 S CA -0.235 58.006 58.200 0.068 0.000 0.992 132 S CB 1.280 64.525 63.200 0.075 0.000 0.935 132 S HN 0.605 nan 8.310 nan 0.000 0.564 133 E N 1.471 121.691 120.200 0.034 0.000 2.085 133 E HA -0.167 4.183 4.350 -0.001 0.000 0.194 133 E C 1.933 178.549 176.600 0.026 0.000 0.994 133 E CA 1.831 58.243 56.400 0.020 0.000 0.801 133 E CB -0.604 29.101 29.700 0.009 0.000 0.743 133 E HN 0.834 nan 8.360 nan 0.000 0.453 134 E N 1.204 121.424 120.200 0.033 0.000 2.058 134 E HA -0.192 4.157 4.350 -0.001 0.000 0.194 134 E C 2.172 178.799 176.600 0.044 0.000 0.997 134 E CA 1.188 57.605 56.400 0.027 0.000 0.801 134 E CB -0.413 29.309 29.700 0.037 0.000 0.746 134 E HN 0.315 nan 8.360 nan 0.000 0.450 135 Q N 0.691 120.557 119.800 0.110 0.000 2.096 135 Q HA -0.164 4.175 4.340 -0.001 0.000 0.204 135 Q C 2.083 178.206 176.000 0.205 0.000 0.982 135 Q CA 1.564 57.498 55.803 0.218 0.000 0.850 135 Q CB -0.165 28.712 28.738 0.231 0.000 0.901 135 Q HN 0.222 nan 8.270 nan 0.000 0.422 136 K N 0.689 121.163 120.400 0.123 0.000 2.026 136 K HA -0.117 4.203 4.320 -0.001 0.000 0.208 136 K C 2.013 178.644 176.600 0.052 0.000 1.048 136 K CA 0.999 57.346 56.287 0.100 0.000 0.929 136 K CB -0.039 32.495 32.500 0.056 0.000 0.713 136 K HN 0.042 nan 8.250 nan 0.000 0.439 137 K N 0.792 121.195 120.400 0.005 0.000 2.209 137 K HA -0.195 4.124 4.320 -0.001 0.000 0.204 137 K C 2.216 178.747 176.600 -0.114 0.000 1.048 137 K CA 1.258 57.522 56.287 -0.038 0.000 0.940 137 K CB 0.063 32.536 32.500 -0.044 0.000 0.729 137 K HN 0.224 nan 8.250 nan 0.000 0.451 138 Q N -1.622 118.054 119.800 -0.205 0.000 2.204 138 Q HA -0.078 4.262 4.340 -0.001 0.000 0.198 138 Q C 1.017 176.632 176.000 -0.641 0.000 0.946 138 Q CA 0.994 56.469 55.803 -0.547 0.000 0.859 138 Q CB 0.325 28.571 28.738 -0.820 0.000 0.946 138 Q HN 0.349 nan 8.270 nan 0.000 0.474 139 W N -1.502 119.832 121.300 0.057 0.000 3.638 139 W HA 0.121 4.780 4.660 -0.001 0.000 0.226 139 W C 1.488 178.050 176.519 0.073 0.000 1.065 139 W CA -0.574 56.810 57.345 0.065 0.000 1.751 139 W CB -0.303 29.199 29.460 0.069 0.000 0.873 139 W HN 0.034 nan 8.180 nan 0.000 0.786 140 L N 2.147 123.544 121.223 0.289 0.000 2.042 140 L HA -0.146 4.193 4.340 -0.001 0.000 0.210 140 L C 2.426 179.395 176.870 0.164 0.000 1.076 140 L CA 3.103 58.068 54.840 0.208 0.000 0.749 140 L CB -1.279 40.881 42.059 0.169 0.000 0.893 140 L HN 0.176 nan 8.230 nan 0.000 0.432 141 E N 0.236 120.508 120.200 0.119 0.000 2.031 141 E HA -0.187 4.163 4.350 -0.001 0.000 0.193 141 E C 0.173 176.843 176.600 0.116 0.000 0.994 141 E CA 1.586 58.043 56.400 0.095 0.000 0.800 141 E CB -2.496 27.232 29.700 0.047 0.000 0.752 141 E HN 0.509 nan 8.360 nan 0.000 0.447 142 P HA -0.098 nan 4.420 nan 0.000 0.216 142 P C 1.603 179.006 177.300 0.171 0.000 1.150 142 P CA 0.949 64.126 63.100 0.127 0.000 0.837 142 P CB -0.119 31.656 31.700 0.125 0.000 0.786 143 L N -1.416 119.922 121.223 0.191 0.000 2.017 143 L HA -0.147 4.192 4.340 -0.001 0.000 0.208 143 L C 2.455 179.437 176.870 0.187 0.000 1.073 143 L CA 1.249 56.197 54.840 0.181 0.000 0.745 143 L CB -0.980 41.184 42.059 0.175 0.000 0.894 143 L HN -0.082 nan 8.230 nan 0.000 0.432 144 L N -0.701 120.640 121.223 0.196 0.000 2.261 144 L HA -0.250 4.090 4.340 -0.001 0.000 0.216 144 L C 2.350 179.453 176.870 0.387 0.000 1.114 144 L CA 0.901 55.877 54.840 0.227 0.000 0.777 144 L CB -0.242 41.929 42.059 0.186 0.000 0.910 144 L HN 0.332 nan 8.230 nan 0.000 0.440 145 Q N -0.575 119.423 119.800 0.331 0.000 2.402 145 Q HA 0.116 4.456 4.340 -0.001 0.000 0.206 145 Q C 1.342 177.597 176.000 0.426 0.000 0.919 145 Q CA 0.744 56.749 55.803 0.338 0.000 0.923 145 Q CB 0.641 29.487 28.738 0.180 0.000 1.048 145 Q HN 0.388 nan 8.270 nan 0.000 0.515 146 G N 0.600 109.632 108.800 0.387 0.000 2.147 146 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.244 146 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.244 146 G C 0.610 175.641 174.900 0.218 0.000 1.005 146 G CA 0.542 45.848 45.100 0.343 0.000 0.713 146 G HN 0.310 nan 8.290 nan 0.000 0.515 147 N N -0.157 118.648 118.700 0.175 0.000 2.251 147 N HA 0.129 4.868 4.740 -0.001 0.000 0.181 147 N C 1.456 177.037 175.510 0.117 0.000 1.019 147 N CA 1.551 54.676 53.050 0.125 0.000 0.862 147 N CB 0.066 38.614 38.487 0.102 0.000 0.992 147 N HN 0.909 nan 8.380 nan 0.000 0.429 148 I N -2.416 118.236 120.570 0.136 0.000 3.067 148 I HA 0.577 4.747 4.170 -0.001 0.000 0.312 148 I C 0.032 176.224 176.117 0.124 0.000 1.073 148 I CA -0.895 60.486 61.300 0.135 0.000 1.016 148 I CB 2.224 40.334 38.000 0.183 0.000 1.227 148 I HN -0.133 nan 8.210 nan 0.000 0.456 149 T N -0.189 114.426 114.554 0.102 0.000 2.883 149 T HA 0.846 5.196 4.350 -0.001 0.000 0.284 149 T C -0.235 174.508 174.700 0.072 0.000 1.041 149 T CA -0.337 61.812 62.100 0.082 0.000 1.007 149 T CB 1.449 70.356 68.868 0.064 0.000 1.220 149 T HN 1.063 nan 8.240 nan 0.000 0.552 150 S N -1.060 114.676 115.700 0.060 0.000 2.638 150 S HA 0.789 5.259 4.470 -0.001 0.000 0.274 150 S C -0.600 174.043 174.600 0.070 0.000 1.157 150 S CA -0.792 57.436 58.200 0.047 0.000 0.826 150 S CB 0.874 64.100 63.200 0.043 0.000 1.139 150 S HN 1.752 nan 8.310 nan 0.000 0.474 151 C N 0.089 119.441 119.300 0.088 0.000 2.898 151 C HA 0.892 5.351 4.460 -0.001 0.000 0.304 151 C C -0.996 174.132 174.990 0.229 0.000 1.237 151 C CA -0.957 58.150 59.018 0.148 0.000 1.529 151 C CB 0.407 28.220 27.740 0.121 0.000 2.021 151 C HN 0.847 nan 8.230 nan 0.000 0.474 152 F N 2.066 122.063 119.950 0.079 0.000 2.415 152 F HA 0.658 5.185 4.527 -0.001 0.000 0.348 152 F C -0.261 175.603 175.800 0.105 0.000 1.119 152 F CA -1.510 56.535 58.000 0.076 0.000 1.069 152 F CB 0.876 39.922 39.000 0.077 0.000 1.124 152 F HN 0.883 nan 8.300 nan 0.000 0.472 153 C N 8.475 127.588 119.300 -0.310 0.000 2.362 153 C HA 0.397 4.856 4.460 -0.001 0.000 0.309 153 C C 0.955 175.658 174.990 -0.478 0.000 1.110 153 C CA -0.506 58.352 59.018 -0.268 0.000 1.485 153 C CB -0.197 27.540 27.740 -0.005 0.000 1.949 153 C HN 1.124 nan 8.230 nan 0.000 0.419 154 M N 1.402 120.686 119.600 -0.526 0.000 2.817 154 M HA 0.133 4.613 4.480 -0.001 0.000 0.228 154 M C 0.761 177.006 176.300 -0.091 0.000 1.644 154 M CA 0.914 55.989 55.300 -0.375 0.000 1.177 154 M CB 0.354 32.636 32.600 -0.530 0.000 1.302 154 M HN 0.525 nan 8.290 nan 0.000 0.565 155 T N 2.683 117.240 114.554 0.005 0.000 2.902 155 T HA 0.106 4.456 4.350 -0.001 0.000 0.301 155 T C -0.617 174.281 174.700 0.330 0.000 1.012 155 T CA 0.349 62.560 62.100 0.185 0.000 1.151 155 T CB 0.253 69.269 68.868 0.247 0.000 0.946 155 T HN 0.303 nan 8.240 nan 0.000 0.542 156 E N 4.086 124.450 120.200 0.273 0.000 2.199 156 E HA 0.214 4.564 4.350 -0.001 0.000 0.269 156 E C -1.604 175.003 176.600 0.012 0.000 0.899 156 E CA -2.385 54.110 56.400 0.158 0.000 0.772 156 E CB 1.865 31.599 29.700 0.058 0.000 1.155 156 E HN 0.305 nan 8.360 nan 0.000 0.408 157 P HA -0.164 nan 4.420 nan 0.000 0.217 157 P C 0.262 177.350 177.300 -0.353 0.000 1.150 157 P CA 1.232 63.801 63.100 -0.885 0.000 0.832 157 P CB 0.351 31.290 31.700 -1.269 0.000 0.787 158 D N -0.272 119.995 120.400 -0.222 0.000 2.349 158 D HA 0.036 4.676 4.640 -0.001 0.000 0.224 158 D C 0.846 177.109 176.300 -0.062 0.000 1.029 158 D CA 0.531 54.451 54.000 -0.133 0.000 0.879 158 D CB 0.398 41.128 40.800 -0.117 0.000 0.906 158 D HN 0.195 nan 8.370 nan 0.000 0.528 159 V N -2.944 116.952 119.914 -0.029 0.000 3.007 159 V HA 0.751 4.871 4.120 -0.001 0.000 0.311 159 V C -0.345 175.769 176.094 0.033 0.000 1.120 159 V CA -1.679 60.622 62.300 0.003 0.000 0.980 159 V CB 1.718 33.547 31.823 0.010 0.000 1.033 159 V HN -0.087 nan 8.190 nan 0.000 0.429 160 A N 2.078 124.913 122.820 0.026 0.000 2.489 160 A HA 0.434 4.753 4.320 -0.001 0.000 0.289 160 A C 1.094 178.690 177.584 0.021 0.000 1.216 160 A CA 0.421 52.476 52.037 0.030 0.000 0.883 160 A CB -0.375 18.631 19.000 0.010 0.000 1.110 160 A HN 1.116 nan 8.150 nan 0.000 0.523 161 S N 1.384 117.111 115.700 0.044 0.000 2.562 161 S HA -0.075 4.394 4.470 -0.001 0.000 0.221 161 S C 2.101 176.687 174.600 -0.025 0.000 0.975 161 S CA 0.818 59.035 58.200 0.027 0.000 0.918 161 S CB -0.021 63.230 63.200 0.085 0.000 0.772 161 S HN 1.040 nan 8.310 nan 0.000 0.531 162 S N 1.175 116.852 115.700 -0.039 0.000 2.447 162 S HA -0.066 4.403 4.470 -0.001 0.000 0.233 162 S C 0.505 175.040 174.600 -0.108 0.000 1.006 162 S CA 0.510 58.660 58.200 -0.084 0.000 0.957 162 S CB -0.270 62.877 63.200 -0.087 0.000 0.773 162 S HN 0.395 nan 8.310 nan 0.000 0.507 163 D N 1.207 121.554 120.400 -0.087 0.000 2.443 163 D HA 0.624 5.264 4.640 -0.001 0.000 0.221 163 D C 0.842 177.063 176.300 -0.132 0.000 1.097 163 D CA -0.162 53.773 54.000 -0.108 0.000 0.865 163 D CB 1.081 41.843 40.800 -0.064 0.000 1.034 163 D HN 0.113 nan 8.370 nan 0.000 0.511 164 A N 2.823 125.495 122.820 -0.247 0.000 2.125 164 A HA -0.139 4.181 4.320 -0.001 0.000 0.219 164 A C 2.021 179.485 177.584 -0.200 0.000 1.156 164 A CA 1.796 53.660 52.037 -0.289 0.000 0.671 164 A CB -0.754 17.937 19.000 -0.514 0.000 0.794 164 A HN 0.639 nan 8.150 nan 0.000 0.459 165 T N -2.283 112.208 114.554 -0.104 0.000 3.007 165 T HA -0.085 4.265 4.350 -0.001 0.000 0.270 165 T C 1.348 176.134 174.700 0.142 0.000 1.107 165 T CA 1.320 63.521 62.100 0.167 0.000 1.118 165 T CB -0.513 68.438 68.868 0.139 0.000 0.889 165 T HN 0.383 nan 8.240 nan 0.000 0.506 166 N N 0.791 119.522 118.700 0.051 0.000 2.494 166 N HA 0.167 4.907 4.740 -0.001 0.000 0.182 166 N C 0.270 175.833 175.510 0.088 0.000 1.076 166 N CA 0.080 53.165 53.050 0.058 0.000 0.908 166 N CB -0.382 38.117 38.487 0.020 0.000 0.967 166 N HN 0.474 nan 8.380 nan 0.000 0.449 167 I N 1.858 122.492 120.570 0.107 0.000 2.662 167 I HA -0.124 4.045 4.170 -0.001 0.000 0.285 167 I C 1.156 177.393 176.117 0.200 0.000 1.161 167 I CA 0.542 61.921 61.300 0.132 0.000 1.415 167 I CB 0.529 38.582 38.000 0.088 0.000 1.385 167 I HN 0.186 nan 8.210 nan 0.000 0.552 168 E N 4.037 124.292 120.200 0.092 0.000 2.526 168 E HA 0.106 4.456 4.350 -0.001 0.000 0.208 168 E C 0.420 177.027 176.600 0.012 0.000 0.997 168 E CA -0.306 56.123 56.400 0.048 0.000 0.961 168 E CB 0.206 29.918 29.700 0.019 0.000 1.030 168 E HN 0.572 nan 8.360 nan 0.000 0.483 169 C N 2.739 122.046 119.300 0.012 0.000 2.531 169 C HA 0.097 4.557 4.460 -0.001 0.000 0.401 169 C C 0.996 175.957 174.990 -0.049 0.000 1.473 169 C CA -0.073 58.931 59.018 -0.024 0.000 1.472 169 C CB -1.394 26.315 27.740 -0.051 0.000 2.429 169 C HN 0.429 nan 8.230 nan 0.000 0.620 170 S N 5.903 121.576 115.700 -0.045 0.000 2.548 170 S HA 0.557 5.026 4.470 -0.001 0.000 0.277 170 S C -0.441 174.123 174.600 -0.059 0.000 1.315 170 S CA -0.350 57.820 58.200 -0.050 0.000 1.050 170 S CB 0.139 63.321 63.200 -0.029 0.000 0.918 170 S HN 0.707 nan 8.310 nan 0.000 0.497 171 I N 4.249 124.778 120.570 -0.069 0.000 2.439 171 I HA 0.339 4.508 4.170 -0.001 0.000 0.285 171 I C -0.235 175.894 176.117 0.020 0.000 1.021 171 I CA -0.481 60.785 61.300 -0.057 0.000 1.091 171 I CB 1.804 39.704 38.000 -0.166 0.000 1.242 171 I HN 0.634 nan 8.210 nan 0.000 0.439 172 Q N 4.250 124.109 119.800 0.098 0.000 2.387 172 Q HA 0.623 4.963 4.340 -0.001 0.000 0.273 172 Q C -0.744 175.379 176.000 0.205 0.000 1.089 172 Q CA -1.103 54.771 55.803 0.118 0.000 0.824 172 Q CB 3.132 31.901 28.738 0.052 0.000 1.367 172 Q HN 0.334 nan 8.270 nan 0.000 0.443 173 R N 1.763 122.328 120.500 0.110 0.000 2.337 173 R HA 0.262 4.602 4.340 -0.001 0.000 0.319 173 R C -1.778 174.461 176.300 -0.102 0.000 0.954 173 R CA -0.488 55.571 56.100 -0.067 0.000 0.840 173 R CB 0.549 30.794 30.300 -0.091 0.000 1.164 173 R HN 0.527 nan 8.270 nan 0.000 0.472 174 D N 3.292 123.614 120.400 -0.130 0.000 2.344 174 D HA 0.140 4.780 4.640 -0.001 0.000 0.239 174 D C 0.374 176.594 176.300 -0.134 0.000 1.064 174 D CA -0.674 53.265 54.000 -0.100 0.000 0.829 174 D CB 1.534 42.301 40.800 -0.055 0.000 1.129 174 D HN 0.741 nan 8.370 nan 0.000 0.506 175 E N 1.941 122.074 120.200 -0.111 0.000 3.395 175 E HA -0.447 3.903 4.350 -0.001 0.000 0.197 175 E C 0.842 177.368 176.600 -0.123 0.000 1.055 175 E CA 2.857 59.197 56.400 -0.100 0.000 1.919 175 E CB -0.266 29.396 29.700 -0.062 0.000 1.792 175 E HN 0.753 nan 8.360 nan 0.000 0.325 176 D N -0.264 120.073 120.400 -0.105 0.000 2.213 176 D HA -0.014 4.626 4.640 -0.001 0.000 0.205 176 D C 1.076 177.305 176.300 -0.119 0.000 0.961 176 D CA 1.143 55.091 54.000 -0.086 0.000 0.853 176 D CB 0.089 40.860 40.800 -0.047 0.000 0.967 176 D HN 0.262 nan 8.370 nan 0.000 0.496 177 S N -1.617 113.980 115.700 -0.172 0.000 2.671 177 S HA 0.563 5.032 4.470 -0.001 0.000 0.277 177 S C -1.511 172.929 174.600 -0.266 0.000 1.165 177 S CA -1.015 57.094 58.200 -0.151 0.000 0.822 177 S CB 1.335 64.515 63.200 -0.034 0.000 1.150 177 S HN 0.037 nan 8.310 nan 0.000 0.479 178 Y N -0.018 120.289 120.300 0.011 0.000 2.377 178 Y HA 0.646 5.196 4.550 -0.001 0.000 0.339 178 Y C -0.289 175.615 175.900 0.007 0.000 1.011 178 Y CA -0.897 57.205 58.100 0.002 0.000 1.093 178 Y CB 1.990 40.446 38.460 -0.005 0.000 1.201 178 Y HN 0.593 nan 8.280 nan 0.000 0.455 179 V N 5.355 125.377 119.914 0.181 0.000 2.398 179 V HA 0.451 4.570 4.120 -0.001 0.000 0.286 179 V C -0.230 175.914 176.094 0.084 0.000 1.026 179 V CA -0.829 61.536 62.300 0.108 0.000 0.868 179 V CB 1.256 33.120 31.823 0.068 0.000 0.982 179 V HN 0.557 nan 8.190 nan 0.000 0.443 180 I N 4.873 125.485 120.570 0.070 0.000 2.433 180 I HA 0.515 4.684 4.170 -0.001 0.000 0.292 180 I C -0.362 175.796 176.117 0.069 0.000 1.001 180 I CA -0.386 60.930 61.300 0.027 0.000 1.119 180 I CB 1.604 39.588 38.000 -0.027 0.000 1.289 180 I HN 0.562 nan 8.210 nan 0.000 0.438 181 N N 4.702 123.424 118.700 0.038 0.000 2.371 181 N HA 0.740 5.479 4.740 -0.001 0.000 0.291 181 N C -0.556 174.979 175.510 0.041 0.000 1.053 181 N CA -0.379 52.708 53.050 0.061 0.000 0.870 181 N CB 2.790 41.295 38.487 0.029 0.000 1.503 181 N HN 0.923 nan 8.380 nan 0.000 0.485 182 G N 0.968 109.825 108.800 0.095 0.000 2.315 182 G HA2 0.199 4.159 3.960 -0.001 0.000 0.294 182 G HA3 0.199 4.159 3.960 -0.001 0.000 0.294 182 G C -1.804 173.172 174.900 0.127 0.000 1.300 182 G CA -0.692 44.443 45.100 0.060 0.000 0.843 182 G HN 0.285 nan 8.290 nan 0.000 0.527 183 K N 0.516 120.959 120.400 0.072 0.000 2.221 183 K HA 0.642 4.962 4.320 -0.001 0.000 0.258 183 K C -0.756 175.971 176.600 0.212 0.000 0.944 183 K CA -0.903 55.469 56.287 0.141 0.000 0.823 183 K CB 2.084 34.562 32.500 -0.036 0.000 1.113 183 K HN 0.231 nan 8.250 nan 0.000 0.431 184 K N 2.220 122.819 120.400 0.331 0.000 2.426 184 K HA 0.455 4.774 4.320 -0.001 0.000 0.251 184 K C -0.955 175.871 176.600 0.376 0.000 0.941 184 K CA -0.743 55.734 56.287 0.316 0.000 0.808 184 K CB 2.159 34.872 32.500 0.355 0.000 1.265 184 K HN 0.647 nan 8.250 nan 0.000 0.432 185 W N 0.225 121.582 121.300 0.096 0.000 3.047 185 W HA 0.316 4.975 4.660 -0.001 0.000 0.341 185 W C -1.034 175.559 176.519 0.125 0.000 1.225 185 W CA -1.663 55.687 57.345 0.008 0.000 1.150 185 W CB -0.285 29.097 29.460 -0.130 0.000 1.470 185 W HN 0.775 nan 8.180 nan 0.000 0.578 186 W N 0.616 121.866 121.300 -0.083 0.000 3.750 186 W HA -0.179 4.481 4.660 -0.001 0.000 0.329 186 W C 0.312 176.858 176.519 0.046 0.000 1.247 186 W CA 1.010 58.248 57.345 -0.179 0.000 0.698 186 W CB -1.817 27.387 29.460 -0.426 0.000 2.324 186 W HN 0.361 nan 8.180 nan 0.000 1.357 187 S N 1.055 116.910 115.700 0.258 0.000 2.429 187 S HA 0.319 4.789 4.470 -0.001 0.000 0.292 187 S C 0.613 175.385 174.600 0.286 0.000 1.183 187 S CA -0.239 58.109 58.200 0.247 0.000 1.088 187 S CB 0.676 63.995 63.200 0.198 0.000 1.018 187 S HN 0.139 nan 8.310 nan 0.000 0.511 188 S N 2.658 118.546 115.700 0.312 0.000 2.505 188 S HA 0.509 4.978 4.470 -0.001 0.000 0.276 188 S C 1.416 176.110 174.600 0.157 0.000 1.274 188 S CA 0.133 58.486 58.200 0.256 0.000 1.053 188 S CB 0.888 64.294 63.200 0.345 0.000 0.919 188 S HN 1.100 nan 8.310 nan 0.000 0.490 189 G N 2.130 110.996 108.800 0.111 0.000 2.195 189 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.224 189 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.224 189 G C 0.957 175.885 174.900 0.047 0.000 0.990 189 G CA 0.188 45.352 45.100 0.107 0.000 0.639 189 G HN 0.972 nan 8.290 nan 0.000 0.514 190 A N 0.522 123.352 122.820 0.016 0.000 2.076 190 A HA 0.295 4.615 4.320 -0.001 0.000 0.220 190 A C 2.630 179.892 177.584 -0.538 0.000 1.160 190 A CA 2.323 54.230 52.037 -0.217 0.000 0.653 190 A CB -0.764 18.093 19.000 -0.239 0.000 0.801 190 A HN 1.627 nan 8.150 nan 0.000 0.455 191 G N -0.500 107.947 108.800 -0.589 0.000 2.511 191 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.217 191 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.217 191 G C 0.779 175.543 174.900 -0.227 0.000 1.133 191 G CA 0.278 44.898 45.100 -0.800 0.000 0.792 191 G HN 0.499 nan 8.290 nan 0.000 0.539 192 N N 1.272 119.948 118.700 -0.040 0.000 2.434 192 N HA 0.112 4.851 4.740 -0.001 0.000 0.268 192 N C -1.452 174.049 175.510 -0.015 0.000 1.256 192 N CA -1.738 51.335 53.050 0.038 0.000 0.914 192 N CB 1.627 40.142 38.487 0.046 0.000 1.088 192 N HN -0.090 nan 8.380 nan 0.000 0.478 193 P HA -0.123 nan 4.420 nan 0.000 0.218 193 P C 0.521 177.825 177.300 0.008 0.000 1.146 193 P CA 1.432 64.531 63.100 -0.002 0.000 0.813 193 P CB 0.283 31.997 31.700 0.023 0.000 0.778 194 K N -1.728 118.686 120.400 0.023 0.000 2.439 194 K HA -0.005 4.315 4.320 -0.001 0.000 0.197 194 K C 0.573 177.201 176.600 0.046 0.000 1.041 194 K CA 0.113 56.425 56.287 0.042 0.000 0.970 194 K CB -0.477 32.054 32.500 0.051 0.000 0.773 194 K HN 0.127 nan 8.250 nan 0.000 0.479 195 C N 3.111 122.422 119.300 0.018 0.000 2.551 195 C HA 0.106 4.566 4.460 -0.001 0.000 0.369 195 C C 1.069 176.066 174.990 0.012 0.000 1.154 195 C CA -0.323 58.703 59.018 0.013 0.000 1.456 195 C CB -0.882 26.844 27.740 -0.024 0.000 2.037 195 C HN 0.279 nan 8.230 nan 0.000 0.547 196 K N 3.319 123.753 120.400 0.057 0.000 2.367 196 K HA 0.242 4.561 4.320 -0.001 0.000 0.194 196 K C -0.028 176.579 176.600 0.013 0.000 1.027 196 K CA 0.198 56.535 56.287 0.082 0.000 1.075 196 K CB 0.433 33.049 32.500 0.193 0.000 0.845 196 K HN 0.635 nan 8.250 nan 0.000 0.529 197 I N 0.100 120.631 120.570 -0.065 0.000 2.619 197 I HA 0.366 4.536 4.170 -0.001 0.000 0.292 197 I C -1.799 174.226 176.117 -0.154 0.000 1.100 197 I CA -1.037 60.103 61.300 -0.266 0.000 1.043 197 I CB 1.968 39.595 38.000 -0.621 0.000 1.239 197 I HN -0.016 nan 8.210 nan 0.000 0.420 198 A N 7.855 130.589 122.820 -0.143 0.000 2.331 198 A HA 0.804 5.123 4.320 -0.001 0.000 0.320 198 A C -0.941 176.624 177.584 -0.031 0.000 1.138 198 A CA -0.535 51.493 52.037 -0.014 0.000 0.790 198 A CB 0.722 19.780 19.000 0.096 0.000 1.206 198 A HN 0.617 nan 8.150 nan 0.000 0.470 199 I N 2.990 123.601 120.570 0.067 0.000 2.321 199 I HA 0.385 4.555 4.170 -0.001 0.000 0.291 199 I C -0.798 175.398 176.117 0.132 0.000 0.998 199 I CA -0.586 60.780 61.300 0.111 0.000 1.227 199 I CB 1.506 39.631 38.000 0.207 0.000 1.368 199 I HN 0.287 nan 8.210 nan 0.000 0.466 200 V N 7.057 126.973 119.914 0.003 0.000 2.540 200 V HA 0.364 4.484 4.120 -0.001 0.000 0.302 200 V C -0.473 175.560 176.094 -0.102 0.000 1.035 200 V CA -0.754 61.470 62.300 -0.126 0.000 0.873 200 V CB 2.434 34.069 31.823 -0.313 0.000 0.992 200 V HN 0.385 nan 8.190 nan 0.000 0.428 201 L N 4.705 125.858 121.223 -0.116 0.000 2.272 201 L HA 0.945 5.284 4.340 -0.001 0.000 0.289 201 L C 0.236 177.081 176.870 -0.042 0.000 1.032 201 L CA 0.255 55.072 54.840 -0.037 0.000 0.810 201 L CB 0.548 42.614 42.059 0.011 0.000 1.205 201 L HN 0.769 nan 8.230 nan 0.000 0.422 202 G N 4.473 113.260 108.800 -0.022 0.000 2.798 202 G HA2 0.495 4.455 3.960 -0.001 0.000 0.286 202 G HA3 0.495 4.455 3.960 -0.001 0.000 0.286 202 G C -1.400 173.509 174.900 0.016 0.000 1.389 202 G CA -0.991 44.100 45.100 -0.015 0.000 0.894 202 G HN 0.634 nan 8.290 nan 0.000 0.488 203 R N -0.040 120.407 120.500 -0.088 0.000 2.221 203 R HA 0.448 4.788 4.340 -0.001 0.000 0.327 203 R C -0.243 175.905 176.300 -0.254 0.000 1.033 203 R CA -0.181 55.714 56.100 -0.341 0.000 0.887 203 R CB 0.513 30.638 30.300 -0.291 0.000 1.057 203 R HN 0.541 nan 8.270 nan 0.000 0.455 204 T N 1.826 116.206 114.554 -0.289 0.000 3.145 204 T HA 0.116 4.465 4.350 -0.001 0.000 0.362 204 T C 0.066 174.664 174.700 -0.170 0.000 1.340 204 T CA -0.700 61.292 62.100 -0.179 0.000 1.069 204 T CB 0.838 69.617 68.868 -0.148 0.000 1.129 204 T HN 0.626 nan 8.240 nan 0.000 0.585 205 Q N 2.850 122.567 119.800 -0.138 0.000 2.255 205 Q HA 0.130 4.470 4.340 -0.001 0.000 0.280 205 Q C -0.510 175.444 176.000 -0.077 0.000 1.068 205 Q CA 0.187 55.921 55.803 -0.114 0.000 0.911 205 Q CB 0.261 28.949 28.738 -0.084 0.000 1.157 205 Q HN 0.677 nan 8.270 nan 0.000 0.380 206 N N 2.517 121.171 118.700 -0.077 0.000 2.519 206 N HA 0.141 4.880 4.740 -0.001 0.000 0.291 206 N C -0.581 174.902 175.510 -0.044 0.000 1.107 206 N CA -0.280 52.739 53.050 -0.052 0.000 0.904 206 N CB 1.851 40.307 38.487 -0.051 0.000 1.500 206 N HN 0.470 nan 8.380 nan 0.000 0.510 207 T N 0.362 114.897 114.554 -0.032 0.000 3.055 207 T HA -0.058 4.292 4.350 -0.001 0.000 0.265 207 T C 1.484 176.172 174.700 -0.020 0.000 1.111 207 T CA 1.632 63.717 62.100 -0.026 0.000 1.118 207 T CB 0.081 68.936 68.868 -0.021 0.000 0.909 207 T HN 0.643 nan 8.240 nan 0.000 0.501 208 S N 0.097 115.786 115.700 -0.019 0.000 2.575 208 S HA 0.311 4.780 4.470 -0.001 0.000 0.215 208 S C 0.537 175.130 174.600 -0.013 0.000 0.966 208 S CA -0.327 57.866 58.200 -0.013 0.000 0.911 208 S CB -0.185 63.009 63.200 -0.010 0.000 0.780 208 S HN 0.326 nan 8.310 nan 0.000 0.514 209 L N 1.796 123.007 121.223 -0.020 0.000 2.331 209 L HA 0.600 4.940 4.340 -0.001 0.000 0.268 209 L C 0.598 177.459 176.870 -0.015 0.000 1.015 209 L CA -0.955 53.874 54.840 -0.019 0.000 0.807 209 L CB 1.670 43.709 42.059 -0.032 0.000 1.293 209 L HN 0.237 nan 8.230 nan 0.000 0.451 210 S N -0.373 115.327 115.700 0.001 0.000 2.681 210 S HA 0.276 4.745 4.470 -0.001 0.000 0.270 210 S C 0.951 175.552 174.600 0.003 0.000 1.209 210 S CA -0.580 57.628 58.200 0.013 0.000 0.988 210 S CB 1.349 64.577 63.200 0.046 0.000 1.006 210 S HN 0.688 nan 8.310 nan 0.000 0.558 211 R N -0.123 120.370 120.500 -0.011 0.000 2.133 211 R HA -0.199 4.141 4.340 -0.001 0.000 0.247 211 R C 1.349 177.606 176.300 -0.071 0.000 1.151 211 R CA 2.068 58.127 56.100 -0.070 0.000 0.971 211 R CB -0.599 29.623 30.300 -0.130 0.000 0.866 211 R HN 0.868 nan 8.270 nan 0.000 0.447 212 H N -1.074 118.054 119.070 0.097 0.000 2.539 212 H HA 0.146 4.702 4.556 -0.001 0.000 0.269 212 H C 0.237 175.550 175.328 -0.026 0.000 0.980 212 H CA 0.262 56.407 56.048 0.162 0.000 1.152 212 H CB 0.630 30.516 29.762 0.205 0.000 1.407 212 H HN -0.106 nan 8.280 nan 0.000 0.564 213 K N 0.684 121.092 120.400 0.014 0.000 3.010 213 K HA 0.171 4.490 4.320 -0.001 0.000 0.211 213 K C 0.238 176.746 176.600 -0.155 0.000 1.146 213 K CA 0.039 56.274 56.287 -0.087 0.000 1.070 213 K CB 1.172 33.653 32.500 -0.032 0.000 0.908 213 K HN 0.302 nan 8.250 nan 0.000 0.463 214 Q N -0.135 119.533 119.800 -0.219 0.000 2.219 214 Q HA 0.129 4.468 4.340 -0.001 0.000 0.209 214 Q C -0.413 175.233 176.000 -0.589 0.000 0.854 214 Q CA 0.223 55.829 55.803 -0.328 0.000 0.960 214 Q CB 0.621 29.172 28.738 -0.311 0.000 1.116 214 Q HN 0.414 nan 8.270 nan 0.000 0.500 215 H N -1.142 117.706 119.070 -0.370 0.000 2.690 215 H HA 0.575 5.130 4.556 -0.001 0.000 0.368 215 H C -0.633 174.532 175.328 -0.272 0.000 1.150 215 H CA -0.362 55.485 56.048 -0.335 0.000 1.174 215 H CB 1.864 31.348 29.762 -0.463 0.000 1.684 215 H HN -0.172 nan 8.280 nan 0.000 0.538 216 S N 1.206 116.856 115.700 -0.083 0.000 2.627 216 S HA 0.527 4.997 4.470 -0.001 0.000 0.283 216 S C -1.119 173.429 174.600 -0.087 0.000 1.127 216 S CA -0.768 57.360 58.200 -0.120 0.000 0.863 216 S CB 2.034 65.116 63.200 -0.196 0.000 1.121 216 S HN 0.455 nan 8.310 nan 0.000 0.479 217 M N 2.339 121.886 119.600 -0.088 0.000 2.383 217 M HA 0.698 5.178 4.480 -0.001 0.000 0.325 217 M C -1.458 174.790 176.300 -0.088 0.000 1.092 217 M CA -0.489 54.782 55.300 -0.048 0.000 0.961 217 M CB 1.118 33.717 32.600 -0.001 0.000 1.672 217 M HN 0.718 nan 8.290 nan 0.000 0.438 218 I N 4.012 124.528 120.570 -0.090 0.000 2.752 218 I HA 0.446 4.615 4.170 -0.001 0.000 0.295 218 I C -1.653 174.417 176.117 -0.079 0.000 1.219 218 I CA -0.774 60.462 61.300 -0.107 0.000 1.030 218 I CB 1.641 39.526 38.000 -0.192 0.000 1.259 218 I HN 0.639 nan 8.210 nan 0.000 0.423 219 L N 7.120 128.304 121.223 -0.065 0.000 2.331 219 L HA 0.468 4.808 4.340 -0.001 0.000 0.278 219 L C -0.891 175.916 176.870 -0.105 0.000 1.106 219 L CA -0.464 54.297 54.840 -0.132 0.000 0.824 219 L CB 1.265 43.215 42.059 -0.182 0.000 1.142 219 L HN 0.290 nan 8.230 nan 0.000 0.443 220 V N 4.659 124.495 119.914 -0.130 0.000 2.488 220 V HA 0.297 4.417 4.120 -0.001 0.000 0.293 220 V C -2.321 173.728 176.094 -0.076 0.000 1.027 220 V CA -1.626 60.657 62.300 -0.029 0.000 0.862 220 V CB 1.863 33.737 31.823 0.085 0.000 1.008 220 V HN 0.575 nan 8.190 nan 0.000 0.428 221 P HA 0.219 nan 4.420 nan 0.000 0.271 221 P C 1.012 178.321 177.300 0.015 0.000 1.216 221 P CA -0.254 62.821 63.100 -0.042 0.000 0.771 221 P CB 0.585 32.366 31.700 0.134 0.000 0.864 222 M N 2.273 121.869 119.600 -0.006 0.000 2.267 222 M HA -0.136 4.344 4.480 -0.001 0.000 0.263 222 M C 1.109 177.396 176.300 -0.021 0.000 1.063 222 M CA 1.716 57.003 55.300 -0.023 0.000 1.090 222 M CB -1.431 31.141 32.600 -0.046 0.000 1.392 222 M HN 0.418 nan 8.290 nan 0.000 0.422 223 N N -0.202 118.508 118.700 0.017 0.000 2.370 223 N HA -0.018 4.722 4.740 -0.001 0.000 0.198 223 N C -0.484 175.043 175.510 0.028 0.000 1.156 223 N CA 0.080 53.139 53.050 0.016 0.000 0.839 223 N CB -0.844 37.664 38.487 0.036 0.000 0.989 223 N HN 0.030 nan 8.380 nan 0.000 0.468 224 T N 3.087 117.663 114.554 0.037 0.000 2.834 224 T HA 0.193 4.542 4.350 -0.001 0.000 0.298 224 T C -2.476 172.241 174.700 0.028 0.000 0.966 224 T CA -0.788 61.343 62.100 0.051 0.000 1.141 224 T CB 0.850 69.767 68.868 0.082 0.000 0.905 224 T HN 0.144 nan 8.240 nan 0.000 0.535 225 P HA 0.161 nan 4.420 nan 0.000 0.261 225 P C 1.070 178.382 177.300 0.021 0.000 1.173 225 P CA 0.931 64.041 63.100 0.017 0.000 0.760 225 P CB 0.154 31.869 31.700 0.024 0.000 0.783 226 G N 1.378 110.178 108.800 -0.000 0.000 2.232 226 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.226 226 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.226 226 G C -0.021 174.850 174.900 -0.047 0.000 0.996 226 G CA -0.281 44.821 45.100 0.003 0.000 0.626 226 G HN 0.535 nan 8.290 nan 0.000 0.509 227 V N 1.578 121.435 119.914 -0.094 0.000 2.408 227 V HA 0.574 4.693 4.120 -0.001 0.000 0.267 227 V C 0.364 176.315 176.094 -0.239 0.000 1.047 227 V CA 0.358 62.501 62.300 -0.261 0.000 0.937 227 V CB 1.282 32.973 31.823 -0.219 0.000 0.999 227 V HN 0.431 nan 8.190 nan 0.000 0.472 228 K N 5.647 125.876 120.400 -0.285 0.000 2.463 228 K HA 0.549 4.869 4.320 -0.001 0.000 0.255 228 K C -0.900 175.535 176.600 -0.275 0.000 0.942 228 K CA -0.431 55.725 56.287 -0.218 0.000 0.814 228 K CB 1.279 33.700 32.500 -0.132 0.000 1.122 228 K HN 0.577 nan 8.250 nan 0.000 0.425 229 I N 6.948 127.362 120.570 -0.260 0.000 2.396 229 I HA 0.034 4.204 4.170 -0.001 0.000 0.289 229 I C 0.830 176.827 176.117 -0.201 0.000 1.056 229 I CA -0.376 60.766 61.300 -0.264 0.000 1.365 229 I CB 0.662 38.440 38.000 -0.370 0.000 1.407 229 I HN 0.692 nan 8.210 nan 0.000 0.509 230 I N 5.589 126.038 120.570 -0.200 0.000 2.364 230 I HA 0.101 4.270 4.170 -0.001 0.000 0.241 230 I C 0.961 177.038 176.117 -0.067 0.000 1.082 230 I CA 1.159 62.340 61.300 -0.199 0.000 1.401 230 I CB -0.529 37.231 38.000 -0.399 0.000 1.126 230 I HN 0.660 nan 8.210 nan 0.000 0.429 231 R N 1.321 121.825 120.500 0.007 0.000 2.664 231 R HA 0.440 4.779 4.340 -0.001 0.000 0.266 231 R C -3.297 172.933 176.300 -0.117 0.000 1.046 231 R CA -1.242 54.862 56.100 0.006 0.000 0.885 231 R CB 1.638 31.910 30.300 -0.047 0.000 1.254 231 R HN -0.226 nan 8.270 nan 0.000 0.465 232 P HA 0.301 nan 4.420 nan 0.000 0.276 232 P C -0.817 176.217 177.300 -0.444 0.000 1.244 232 P CA -0.538 62.044 63.100 -0.863 0.000 0.801 232 P CB 1.014 32.335 31.700 -0.632 0.000 1.006 233 L N 1.111 122.045 121.223 -0.481 0.000 2.365 233 L HA 0.432 4.771 4.340 -0.001 0.000 0.273 233 L C 0.782 177.553 176.870 -0.164 0.000 1.000 233 L CA -0.665 53.917 54.840 -0.430 0.000 0.819 233 L CB 1.895 43.328 42.059 -1.044 0.000 1.284 233 L HN 0.394 nan 8.230 nan 0.000 0.418 234 S N 1.478 117.149 115.700 -0.048 0.000 2.654 234 S HA 0.742 5.212 4.470 -0.001 0.000 0.283 234 S C -0.448 174.234 174.600 0.137 0.000 1.180 234 S CA -0.773 57.478 58.200 0.085 0.000 1.021 234 S CB 2.058 65.295 63.200 0.062 0.000 1.018 234 S HN 0.263 nan 8.310 nan 0.000 0.532 235 V N 2.638 122.657 119.914 0.174 0.000 2.376 235 V HA 0.384 4.504 4.120 -0.001 0.000 0.287 235 V C -0.771 175.443 176.094 0.201 0.000 1.015 235 V CA -0.683 61.671 62.300 0.090 0.000 0.834 235 V CB -0.065 31.838 31.823 0.133 0.000 1.001 235 V HN 0.927 nan 8.190 nan 0.000 0.428 236 F N 3.594 123.608 119.950 0.107 0.000 2.925 236 F HA -0.237 4.290 4.527 -0.000 0.000 0.239 236 F C 1.700 177.435 175.800 -0.108 0.000 1.009 236 F CA 1.201 59.219 58.000 0.031 0.000 0.847 236 F CB -1.543 37.502 39.000 0.074 0.000 0.719 236 F HN 0.943 nan 8.300 nan 0.000 0.826 237 G N -1.805 107.021 108.800 0.045 0.000 2.203 237 G HA2 -0.359 3.601 3.960 -0.001 0.000 0.263 237 G HA3 -0.359 3.601 3.960 -0.001 0.000 0.263 237 G C -0.109 174.721 174.900 -0.116 0.000 1.012 237 G CA 0.171 45.248 45.100 -0.038 0.000 0.749 237 G HN 0.568 nan 8.290 nan 0.000 0.512 238 Y N -0.131 120.246 120.300 0.129 0.000 2.334 238 Y HA 0.504 5.053 4.550 -0.001 0.000 0.328 238 Y C 1.833 177.809 175.900 0.128 0.000 1.130 238 Y CA -0.064 58.104 58.100 0.113 0.000 1.163 238 Y CB 1.703 40.243 38.460 0.134 0.000 1.207 238 Y HN 0.165 nan 8.280 nan 0.000 0.471 239 T N -3.263 111.457 114.554 0.277 0.000 3.001 239 T HA 0.094 4.443 4.350 -0.001 0.000 0.251 239 T C 0.242 175.133 174.700 0.318 0.000 1.040 239 T CA 0.456 62.708 62.100 0.253 0.000 0.985 239 T CB -0.016 68.954 68.868 0.172 0.000 1.011 239 T HN 0.666 nan 8.240 nan 0.000 0.509 240 D N 1.355 121.918 120.400 0.272 0.000 2.835 240 D HA -0.160 4.480 4.640 -0.001 0.000 0.230 240 D C 0.497 176.943 176.300 0.243 0.000 1.130 240 D CA 0.546 54.714 54.000 0.281 0.000 0.738 240 D CB -2.155 38.898 40.800 0.422 0.000 1.090 240 D HN 0.421 nan 8.370 nan 0.000 0.433 241 N N -0.706 118.048 118.700 0.090 0.000 2.133 241 N HA -0.180 4.560 4.740 -0.001 0.000 0.193 241 N C 1.522 177.071 175.510 0.065 0.000 1.012 241 N CA 1.688 54.697 53.050 -0.068 0.000 0.871 241 N CB -0.320 37.948 38.487 -0.365 0.000 1.011 241 N HN 0.468 nan 8.380 nan 0.000 0.435 242 F N 0.791 120.691 119.950 -0.084 0.000 2.095 242 F HA -0.144 4.382 4.527 -0.000 0.000 0.298 242 F C 1.374 177.094 175.800 -0.132 0.000 1.104 242 F CA 1.596 59.511 58.000 -0.142 0.000 1.232 242 F CB -0.190 38.679 39.000 -0.218 0.000 0.987 242 F HN 0.212 nan 8.300 nan 0.000 0.475 243 H N -0.361 118.898 119.070 0.316 0.000 2.567 243 H HA 0.279 4.834 4.556 -0.001 0.000 0.294 243 H C 1.090 176.508 175.328 0.150 0.000 1.050 243 H CA -0.000 56.169 56.048 0.202 0.000 1.168 243 H CB -0.747 29.176 29.762 0.269 0.000 1.422 243 H HN 0.229 nan 8.280 nan 0.000 0.562 244 G N 0.171 109.133 108.800 0.270 0.000 2.414 244 G HA2 0.310 4.270 3.960 -0.001 0.000 0.236 244 G HA3 0.310 4.270 3.960 -0.001 0.000 0.236 244 G C 0.501 175.661 174.900 0.433 0.000 1.293 244 G CA 0.292 45.685 45.100 0.488 0.000 0.869 244 G HN 0.468 nan 8.290 nan 0.000 0.556 245 G N 0.622 109.653 108.800 0.385 0.000 3.341 245 G HA2 0.533 4.493 3.960 -0.001 0.000 0.186 245 G HA3 0.533 4.493 3.960 -0.001 0.000 0.186 245 G C -0.748 173.904 174.900 -0.414 0.000 1.430 245 G CA -0.460 44.731 45.100 0.153 0.000 0.961 245 G HN 0.680 nan 8.290 nan 0.000 0.767 246 H N -0.497 118.532 119.070 -0.068 0.000 3.096 246 H HA 0.481 5.036 4.556 -0.001 0.000 0.335 246 H C -1.697 173.364 175.328 -0.445 0.000 0.990 246 H CA -0.377 55.642 56.048 -0.049 0.000 1.393 246 H CB 1.558 31.387 29.762 0.112 0.000 1.742 246 H HN 0.212 nan 8.280 nan 0.000 0.501 247 F N 0.674 120.579 119.950 -0.076 0.000 2.546 247 F HA 0.205 4.732 4.527 -0.001 0.000 0.320 247 F C 0.729 176.462 175.800 -0.112 0.000 1.076 247 F CA -0.834 57.069 58.000 -0.162 0.000 0.928 247 F CB 2.282 41.157 39.000 -0.209 0.000 1.189 247 F HN 0.432 nan 8.300 nan 0.000 0.465 248 E N 2.940 123.178 120.200 0.062 0.000 2.290 248 E HA 0.462 4.812 4.350 -0.001 0.000 0.277 248 E C -1.228 175.364 176.600 -0.013 0.000 1.035 248 E CA -0.090 56.354 56.400 0.073 0.000 0.873 248 E CB 0.644 30.352 29.700 0.012 0.000 1.029 248 E HN 0.467 nan 8.360 nan 0.000 0.419 249 I N 4.032 124.612 120.570 0.017 0.000 2.498 249 I HA 0.262 4.432 4.170 -0.001 0.000 0.290 249 I C -0.442 175.652 176.117 -0.039 0.000 1.032 249 I CA -0.593 60.630 61.300 -0.128 0.000 1.073 249 I CB 1.741 39.654 38.000 -0.144 0.000 1.251 249 I HN 0.577 nan 8.210 nan 0.000 0.426 250 H N 5.129 124.061 119.070 -0.230 0.000 2.479 250 H HA 0.495 5.051 4.556 -0.001 0.000 0.335 250 H C -1.318 173.796 175.328 -0.357 0.000 1.142 250 H CA -0.703 55.257 56.048 -0.146 0.000 1.234 250 H CB 1.862 31.577 29.762 -0.077 0.000 1.503 250 H HN 0.357 nan 8.280 nan 0.000 0.510 251 F N 1.669 121.685 119.950 0.110 0.000 2.434 251 F HA 0.149 4.675 4.527 -0.001 0.000 0.355 251 F C 0.095 175.909 175.800 0.025 0.000 1.115 251 F CA -0.744 57.285 58.000 0.048 0.000 1.010 251 F CB 0.907 39.922 39.000 0.026 0.000 1.234 251 F HN 0.461 nan 8.300 nan 0.000 0.439 252 N N 3.646 122.421 118.700 0.124 0.000 2.707 252 N HA 0.176 4.916 4.740 -0.001 0.000 0.235 252 N C -0.426 175.128 175.510 0.073 0.000 1.028 252 N CA -0.097 52.998 53.050 0.075 0.000 0.906 252 N CB 0.313 38.824 38.487 0.040 0.000 1.131 252 N HN 0.410 nan 8.380 nan 0.000 0.509 253 Q N -0.317 119.530 119.800 0.079 0.000 2.468 253 Q HA -0.150 4.189 4.340 -0.001 0.000 0.289 253 Q C -0.577 175.472 176.000 0.081 0.000 1.299 253 Q CA 0.693 56.535 55.803 0.066 0.000 0.838 253 Q CB -2.149 26.615 28.738 0.042 0.000 1.195 253 Q HN 0.575 nan 8.270 nan 0.000 0.456 254 V N -1.401 118.586 119.914 0.120 0.000 2.530 254 V HA 0.563 4.683 4.120 -0.001 0.000 0.282 254 V C 0.430 176.591 176.094 0.112 0.000 1.048 254 V CA -0.399 61.978 62.300 0.128 0.000 0.997 254 V CB 1.681 33.624 31.823 0.199 0.000 0.987 254 V HN 0.370 nan 8.190 nan 0.000 0.477 255 R N 4.480 125.036 120.500 0.094 0.000 2.295 255 R HA 0.755 5.094 4.340 -0.001 0.000 0.324 255 R C -0.908 175.451 176.300 0.100 0.000 0.968 255 R CA -0.416 55.738 56.100 0.090 0.000 0.837 255 R CB 1.775 32.113 30.300 0.064 0.000 1.133 255 R HN 1.015 nan 8.270 nan 0.000 0.450 256 V N 1.739 121.726 119.914 0.122 0.000 2.914 256 V HA 0.683 4.803 4.120 -0.001 0.000 0.314 256 V C -2.722 173.455 176.094 0.138 0.000 1.084 256 V CA -3.022 59.357 62.300 0.132 0.000 0.963 256 V CB 1.802 33.707 31.823 0.136 0.000 1.025 256 V HN 0.664 nan 8.190 nan 0.000 0.432 257 P HA 0.257 nan 4.420 nan 0.000 0.268 257 P C 0.802 178.190 177.300 0.146 0.000 1.205 257 P CA 0.484 63.646 63.100 0.102 0.000 0.771 257 P CB 1.013 32.775 31.700 0.104 0.000 0.858 258 A N 3.030 125.888 122.820 0.064 0.000 2.032 258 A HA -0.199 4.121 4.320 -0.001 0.000 0.221 258 A C 1.822 179.527 177.584 0.202 0.000 1.165 258 A CA 2.417 54.505 52.037 0.086 0.000 0.645 258 A CB -1.845 17.088 19.000 -0.112 0.000 0.807 258 A HN 0.630 nan 8.150 nan 0.000 0.453 259 T N -2.970 111.665 114.554 0.135 0.000 3.163 259 T HA -0.006 4.344 4.350 -0.001 0.000 0.260 259 T C 1.081 175.875 174.700 0.156 0.000 1.156 259 T CA 1.130 63.309 62.100 0.130 0.000 1.072 259 T CB -0.470 68.457 68.868 0.099 0.000 0.937 259 T HN 0.357 nan 8.240 nan 0.000 0.528 260 N N 0.381 119.189 118.700 0.179 0.000 2.422 260 N HA 0.242 4.981 4.740 -0.001 0.000 0.181 260 N C 0.266 175.834 175.510 0.098 0.000 1.080 260 N CA -0.148 52.995 53.050 0.155 0.000 0.893 260 N CB -0.251 38.325 38.487 0.147 0.000 0.973 260 N HN 0.425 nan 8.380 nan 0.000 0.456 261 L N 1.330 122.619 121.223 0.110 0.000 2.490 261 L HA 0.165 4.504 4.340 -0.001 0.000 0.274 261 L C -0.251 176.643 176.870 0.041 0.000 1.201 261 L CA 0.239 55.091 54.840 0.020 0.000 0.869 261 L CB 0.384 42.474 42.059 0.052 0.000 1.123 261 L HN 0.011 nan 8.230 nan 0.000 0.484 262 I N 6.868 127.440 120.570 0.003 0.000 2.315 262 I HA 0.163 4.333 4.170 -0.001 0.000 0.291 262 I C 0.696 176.817 176.117 0.005 0.000 1.006 262 I CA -0.372 60.946 61.300 0.029 0.000 1.265 262 I CB 1.177 39.191 38.000 0.025 0.000 1.387 262 I HN 0.872 nan 8.210 nan 0.000 0.475 263 L N 5.270 126.522 121.223 0.049 0.000 3.412 263 L HA -0.258 4.082 4.340 -0.001 0.000 0.253 263 L C 0.358 177.242 176.870 0.022 0.000 4.367 263 L CA 2.223 57.089 54.840 0.043 0.000 0.793 263 L CB -1.291 40.765 42.059 -0.005 0.000 3.488 263 L HN 0.922 nan 8.230 nan 0.000 0.786 264 G N -1.083 107.712 108.800 -0.010 0.000 2.411 264 G HA2 0.443 4.403 3.960 -0.001 0.000 0.295 264 G HA3 0.443 4.403 3.960 -0.001 0.000 0.295 264 G C -1.512 173.369 174.900 -0.033 0.000 1.542 264 G CA -0.316 44.782 45.100 -0.004 0.000 0.814 264 G HN 0.293 nan 8.290 nan 0.000 0.557 265 E N -0.299 119.891 120.200 -0.017 0.000 2.376 265 E HA 0.405 4.755 4.350 -0.001 0.000 0.266 265 E C 1.224 177.787 176.600 -0.062 0.000 1.009 265 E CA 1.206 57.580 56.400 -0.043 0.000 0.902 265 E CB 1.038 30.738 29.700 -0.000 0.000 0.972 265 E HN 1.710 nan 8.360 nan 0.000 0.439 266 G N 3.367 112.106 108.800 -0.102 0.000 2.176 266 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.232 266 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.232 266 G C 0.854 175.677 174.900 -0.128 0.000 0.986 266 G CA -0.260 44.769 45.100 -0.119 0.000 0.643 266 G HN 0.472 nan 8.290 nan 0.000 0.522 267 R N 0.920 121.351 120.500 -0.114 0.000 2.393 267 R HA 0.245 4.585 4.340 -0.001 0.000 0.244 267 R C 2.411 178.644 176.300 -0.112 0.000 0.920 267 R CA 0.809 56.844 56.100 -0.107 0.000 1.076 267 R CB -0.204 30.030 30.300 -0.111 0.000 1.119 267 R HN 0.413 nan 8.270 nan 0.000 0.524 268 G N 1.770 110.498 108.800 -0.121 0.000 2.631 268 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.219 268 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.219 268 G C 1.070 176.036 174.900 0.109 0.000 1.214 268 G CA 0.827 45.901 45.100 -0.044 0.000 0.785 268 G HN 0.147 nan 8.290 nan 0.000 0.596 269 F N 1.230 121.186 119.950 0.010 0.000 2.095 269 F HA -0.036 4.490 4.527 -0.001 0.000 0.298 269 F C 2.520 178.309 175.800 -0.018 0.000 1.104 269 F CA 1.028 59.027 58.000 -0.001 0.000 1.232 269 F CB -1.232 37.779 39.000 0.017 0.000 0.987 269 F HN 0.363 nan 8.300 nan 0.000 0.475 270 E N 0.605 120.897 120.200 0.154 0.000 2.070 270 E HA -0.244 4.105 4.350 -0.001 0.000 0.197 270 E C 2.245 178.824 176.600 -0.035 0.000 1.004 270 E CA 1.941 58.366 56.400 0.041 0.000 0.805 270 E CB -0.343 29.343 29.700 -0.023 0.000 0.744 270 E HN 0.413 nan 8.360 nan 0.000 0.451 271 I N 0.820 121.299 120.570 -0.152 0.000 2.252 271 I HA -0.246 3.923 4.170 -0.001 0.000 0.245 271 I C 2.598 178.705 176.117 -0.018 0.000 1.102 271 I CA 1.232 62.373 61.300 -0.266 0.000 1.385 271 I CB -0.248 37.542 38.000 -0.350 0.000 1.064 271 I HN 0.187 nan 8.210 nan 0.000 0.414 272 S N 0.544 116.285 115.700 0.069 0.000 2.402 272 S HA -0.234 4.236 4.470 -0.001 0.000 0.229 272 S C 2.241 176.885 174.600 0.074 0.000 1.021 272 S CA 1.279 59.551 58.200 0.120 0.000 0.974 272 S CB -0.963 62.383 63.200 0.244 0.000 0.800 272 S HN 0.550 nan 8.310 nan 0.000 0.484 273 Q N 1.575 121.419 119.800 0.073 0.000 2.079 273 Q HA 0.189 4.528 4.340 -0.001 0.000 0.200 273 Q C 2.477 178.513 176.000 0.060 0.000 0.974 273 Q CA 1.643 57.479 55.803 0.055 0.000 0.840 273 Q CB -1.937 26.831 28.738 0.050 0.000 0.898 273 Q HN 0.747 nan 8.270 nan 0.000 0.430 274 G N 1.279 110.144 108.800 0.108 0.000 2.469 274 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.219 274 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.219 274 G C 1.805 176.770 174.900 0.107 0.000 1.150 274 G CA 1.479 46.687 45.100 0.180 0.000 0.763 274 G HN 0.745 nan 8.290 nan 0.000 0.561 275 R N -0.064 120.471 120.500 0.059 0.000 2.100 275 R HA 0.286 4.625 4.340 -0.001 0.000 0.220 275 R C 2.284 178.543 176.300 -0.069 0.000 1.091 275 R CA 0.733 56.812 56.100 -0.034 0.000 0.986 275 R CB -0.595 29.608 30.300 -0.161 0.000 0.888 275 R HN 0.339 nan 8.270 nan 0.000 0.444 276 L N 1.059 122.256 121.223 -0.044 0.000 2.217 276 L HA 0.128 4.468 4.340 -0.001 0.000 0.211 276 L C 2.573 179.420 176.870 -0.037 0.000 1.107 276 L CA 0.926 55.755 54.840 -0.019 0.000 0.783 276 L CB -0.642 41.444 42.059 0.047 0.000 0.919 276 L HN 0.506 nan 8.230 nan 0.000 0.442 277 G N 1.299 110.071 108.800 -0.046 0.000 2.545 277 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.217 277 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.217 277 G C -0.689 174.112 174.900 -0.166 0.000 1.218 277 G CA 0.905 45.954 45.100 -0.086 0.000 0.787 277 G HN 0.296 nan 8.290 nan 0.000 0.571 278 P HA -0.039 nan 4.420 nan 0.000 0.215 278 P C 2.215 179.207 177.300 -0.514 0.000 1.157 278 P CA 1.789 64.637 63.100 -0.421 0.000 0.868 278 P CB -0.567 30.988 31.700 -0.242 0.000 0.788 279 G N 0.294 108.955 108.800 -0.231 0.000 2.599 279 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.219 279 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.219 279 G C 1.649 176.499 174.900 -0.084 0.000 1.193 279 G CA 1.275 46.296 45.100 -0.131 0.000 0.778 279 G HN 0.209 nan 8.290 nan 0.000 0.589 280 R N -0.340 120.132 120.500 -0.045 0.000 2.094 280 R HA -0.027 4.312 4.340 -0.001 0.000 0.239 280 R C 2.612 178.886 176.300 -0.044 0.000 1.137 280 R CA 1.610 57.702 56.100 -0.014 0.000 0.943 280 R CB -0.490 29.765 30.300 -0.075 0.000 0.850 280 R HN 0.453 nan 8.270 nan 0.000 0.433 281 I N -0.041 120.444 120.570 -0.143 0.000 2.439 281 I HA -0.253 3.916 4.170 -0.001 0.000 0.251 281 I C 1.573 177.681 176.117 -0.016 0.000 1.139 281 I CA 1.429 62.664 61.300 -0.109 0.000 1.438 281 I CB -0.022 37.890 38.000 -0.147 0.000 1.085 281 I HN 0.332 nan 8.210 nan 0.000 0.427 282 H N -1.032 118.038 119.070 -0.001 0.000 2.387 282 H HA -0.183 4.372 4.556 -0.001 0.000 0.299 282 H C 2.110 177.406 175.328 -0.053 0.000 1.090 282 H CA 1.282 57.318 56.048 -0.019 0.000 1.332 282 H CB -0.003 29.743 29.762 -0.027 0.000 1.386 282 H HN 0.377 nan 8.280 nan 0.000 0.516 283 H N -0.199 118.926 119.070 0.092 0.000 2.353 283 H HA -0.123 4.432 4.556 -0.001 0.000 0.300 283 H C 2.499 177.824 175.328 -0.005 0.000 1.090 283 H CA 1.321 57.384 56.048 0.025 0.000 1.327 283 H CB -0.389 29.370 29.762 -0.004 0.000 1.383 283 H HN 0.403 nan 8.280 nan 0.000 0.508 284 C N 0.414 119.780 119.300 0.109 0.000 2.453 284 C HA -0.122 4.337 4.460 -0.001 0.000 0.277 284 C C 3.010 178.011 174.990 0.019 0.000 1.262 284 C CA 0.602 59.641 59.018 0.035 0.000 1.718 284 C CB -1.000 26.739 27.740 -0.001 0.000 2.031 284 C HN 0.480 nan 8.230 nan 0.000 0.480 285 M N 0.316 119.926 119.600 0.017 0.000 2.082 285 M HA -0.210 4.269 4.480 -0.001 0.000 0.258 285 M C 2.430 178.712 176.300 -0.029 0.000 1.069 285 M CA 1.862 57.149 55.300 -0.023 0.000 1.102 285 M CB -0.528 32.032 32.600 -0.067 0.000 1.336 285 M HN 0.307 nan 8.290 nan 0.000 0.404 286 R N -0.547 119.950 120.500 -0.006 0.000 2.096 286 R HA -0.103 4.237 4.340 -0.001 0.000 0.235 286 R C 2.182 178.488 176.300 0.011 0.000 1.127 286 R CA 1.825 57.926 56.100 0.002 0.000 0.968 286 R CB -0.668 29.654 30.300 0.037 0.000 0.861 286 R HN 0.419 nan 8.270 nan 0.000 0.440 287 T N 0.572 115.137 114.554 0.018 0.000 2.759 287 T HA -0.109 4.240 4.350 -0.001 0.000 0.269 287 T C 1.950 176.648 174.700 -0.002 0.000 1.042 287 T CA 1.278 63.380 62.100 0.003 0.000 1.140 287 T CB -0.177 68.686 68.868 -0.007 0.000 0.864 287 T HN 0.009 nan 8.240 nan 0.000 0.455 288 V N 1.517 121.428 119.914 -0.005 0.000 2.332 288 V HA -0.144 3.976 4.120 -0.001 0.000 0.248 288 V C 2.869 178.964 176.094 0.001 0.000 1.055 288 V CA 2.045 64.342 62.300 -0.004 0.000 1.038 288 V CB -1.381 30.436 31.823 -0.010 0.000 0.651 288 V HN 0.601 nan 8.190 nan 0.000 0.450 289 G N -0.635 108.163 108.800 -0.003 0.000 2.418 289 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.217 289 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.217 289 G C 1.662 176.570 174.900 0.013 0.000 1.158 289 G CA 0.996 46.098 45.100 0.002 0.000 0.771 289 G HN 0.455 nan 8.290 nan 0.000 0.545 290 L N 0.712 121.943 121.223 0.014 0.000 2.013 290 L HA -0.136 4.204 4.340 -0.001 0.000 0.212 290 L C 3.216 180.101 176.870 0.025 0.000 1.073 290 L CA 1.984 56.836 54.840 0.021 0.000 0.753 290 L CB -0.264 41.803 42.059 0.014 0.000 0.890 290 L HN 0.285 nan 8.230 nan 0.000 0.432 291 A N -0.806 122.026 122.820 0.019 0.000 1.902 291 A HA -0.277 4.043 4.320 -0.001 0.000 0.217 291 A C 2.104 179.713 177.584 0.041 0.000 1.181 291 A CA 1.850 53.903 52.037 0.027 0.000 0.623 291 A CB -0.620 18.392 19.000 0.020 0.000 0.818 291 A HN 0.543 nan 8.150 nan 0.000 0.443 292 E N -0.537 119.683 120.200 0.033 0.000 2.153 292 E HA -0.181 4.169 4.350 -0.001 0.000 0.194 292 E C 2.121 178.747 176.600 0.043 0.000 0.988 292 E CA 1.291 57.712 56.400 0.036 0.000 0.811 292 E CB -0.089 29.626 29.700 0.025 0.000 0.746 292 E HN 0.532 nan 8.360 nan 0.000 0.466 293 R N 0.042 120.568 120.500 0.042 0.000 2.066 293 R HA -0.017 4.322 4.340 -0.001 0.000 0.232 293 R C 2.068 178.408 176.300 0.068 0.000 1.131 293 R CA 1.612 57.744 56.100 0.052 0.000 0.955 293 R CB -0.666 29.664 30.300 0.050 0.000 0.851 293 R HN 0.177 nan 8.270 nan 0.000 0.432 294 A N 0.736 123.596 122.820 0.067 0.000 1.892 294 A HA -0.176 4.143 4.320 -0.001 0.000 0.218 294 A C 2.053 179.689 177.584 0.085 0.000 1.188 294 A CA 1.699 53.781 52.037 0.075 0.000 0.631 294 A CB -0.827 18.213 19.000 0.066 0.000 0.822 294 A HN 0.393 nan 8.150 nan 0.000 0.447 295 L N -0.251 121.023 121.223 0.085 0.000 2.141 295 L HA -0.148 4.191 4.340 -0.001 0.000 0.209 295 L C 2.467 179.385 176.870 0.080 0.000 1.094 295 L CA 2.500 57.397 54.840 0.094 0.000 0.763 295 L CB -0.764 41.349 42.059 0.089 0.000 0.908 295 L HN 0.632 nan 8.230 nan 0.000 0.437 296 Q N -0.539 119.303 119.800 0.070 0.000 2.050 296 Q HA -0.214 4.126 4.340 -0.001 0.000 0.202 296 Q C 2.277 178.326 176.000 0.083 0.000 0.980 296 Q CA 2.249 58.092 55.803 0.066 0.000 0.840 296 Q CB -0.193 28.580 28.738 0.059 0.000 0.898 296 Q HN 0.621 nan 8.270 nan 0.000 0.424 297 I N 0.368 120.996 120.570 0.097 0.000 2.286 297 I HA -0.295 3.875 4.170 -0.001 0.000 0.248 297 I C 2.602 178.774 176.117 0.092 0.000 1.115 297 I CA 0.975 62.348 61.300 0.121 0.000 1.392 297 I CB -0.191 37.899 38.000 0.150 0.000 1.065 297 I HN 0.411 nan 8.210 nan 0.000 0.418 298 M N -0.198 119.452 119.600 0.084 0.000 2.159 298 M HA -0.270 4.210 4.480 -0.001 0.000 0.263 298 M C 2.342 178.704 176.300 0.104 0.000 1.063 298 M CA 1.922 57.279 55.300 0.095 0.000 1.110 298 M CB -0.176 32.502 32.600 0.130 0.000 1.374 298 M HN 0.385 nan 8.290 nan 0.000 0.411 299 C N 0.016 119.371 119.300 0.091 0.000 2.475 299 C HA -0.032 4.428 4.460 -0.001 0.000 0.279 299 C C 2.292 177.332 174.990 0.083 0.000 1.322 299 C CA 0.505 59.569 59.018 0.077 0.000 1.734 299 C CB -0.958 26.805 27.740 0.040 0.000 2.005 299 C HN 0.586 nan 8.230 nan 0.000 0.495 300 E N 0.708 120.959 120.200 0.085 0.000 2.058 300 E HA -0.266 4.084 4.350 -0.001 0.000 0.194 300 E C 2.321 178.988 176.600 0.113 0.000 0.997 300 E CA 1.323 57.779 56.400 0.094 0.000 0.801 300 E CB -0.090 29.672 29.700 0.104 0.000 0.746 300 E HN 0.402 nan 8.360 nan 0.000 0.450 301 R N 0.587 121.156 120.500 0.115 0.000 2.066 301 R HA -0.048 4.292 4.340 -0.001 0.000 0.232 301 R C 1.949 178.318 176.300 0.114 0.000 1.131 301 R CA 1.537 57.701 56.100 0.106 0.000 0.955 301 R CB -0.509 29.824 30.300 0.055 0.000 0.851 301 R HN 0.132 nan 8.270 nan 0.000 0.432 302 A N -0.732 122.170 122.820 0.136 0.000 2.225 302 A HA -0.106 4.213 4.320 -0.001 0.000 0.215 302 A C 1.770 179.508 177.584 0.256 0.000 1.164 302 A CA 1.774 53.918 52.037 0.177 0.000 0.710 302 A CB -0.725 18.399 19.000 0.206 0.000 0.780 302 A HN 0.638 nan 8.150 nan 0.000 0.473 303 T N -4.502 110.194 114.554 0.237 0.000 2.990 303 T HA 0.113 4.463 4.350 -0.001 0.000 0.249 303 T C 1.506 176.296 174.700 0.151 0.000 1.039 303 T CA 0.542 62.809 62.100 0.278 0.000 1.036 303 T CB -0.052 68.953 68.868 0.228 0.000 0.994 303 T HN 0.466 nan 8.240 nan 0.000 0.489 304 Q N 0.463 120.331 119.800 0.114 0.000 2.403 304 Q HA 0.225 4.564 4.340 -0.001 0.000 0.203 304 Q C -0.012 176.024 176.000 0.059 0.000 0.932 304 Q CA 0.274 56.126 55.803 0.082 0.000 0.945 304 Q CB 0.392 29.182 28.738 0.087 0.000 1.045 304 Q HN 0.227 nan 8.270 nan 0.000 0.511 305 R N 0.663 121.195 120.500 0.053 0.000 2.476 305 R HA 0.395 4.735 4.340 -0.001 0.000 0.305 305 R C -1.099 175.204 176.300 0.005 0.000 0.965 305 R CA -0.673 55.444 56.100 0.029 0.000 0.867 305 R CB 1.333 31.655 30.300 0.038 0.000 1.176 305 R HN -0.009 nan 8.270 nan 0.000 0.447 306 I N 2.174 122.735 120.570 -0.014 0.000 2.312 306 I HA 0.414 4.583 4.170 -0.001 0.000 0.290 306 I C 0.105 176.197 176.117 -0.043 0.000 1.008 306 I CA -0.092 61.190 61.300 -0.030 0.000 1.226 306 I CB 1.726 39.703 38.000 -0.040 0.000 1.371 306 I HN 0.580 nan 8.210 nan 0.000 0.468 307 A N 5.343 128.165 122.820 0.003 0.000 2.374 307 A HA 0.767 5.086 4.320 -0.001 0.000 0.305 307 A C -0.304 177.362 177.584 0.136 0.000 1.053 307 A CA -0.548 51.442 52.037 -0.078 0.000 0.726 307 A CB 0.286 19.250 19.000 -0.060 0.000 1.229 307 A HN 0.622 nan 8.150 nan 0.000 0.431 308 F N 0.890 120.881 119.950 0.068 0.000 3.067 308 F HA -0.260 4.265 4.527 -0.003 0.000 0.279 308 F C 1.095 176.914 175.800 0.033 0.000 0.945 308 F CA 1.350 59.390 58.000 0.067 0.000 0.948 308 F CB -2.041 37.024 39.000 0.109 0.000 0.898 308 F HN 0.887 nan 8.300 nan 0.000 0.746 309 K N -2.578 117.868 120.400 0.076 0.000 3.391 309 K HA -0.225 4.094 4.320 -0.001 0.000 0.307 309 K C 0.095 176.672 176.600 -0.037 0.000 1.304 309 K CA 1.416 57.712 56.287 0.015 0.000 0.904 309 K CB -0.996 31.519 32.500 0.025 0.000 1.293 309 K HN 0.576 nan 8.250 nan 0.000 0.470 310 K N 0.680 121.045 120.400 -0.058 0.000 2.502 310 K HA 0.359 4.679 4.320 -0.001 0.000 0.257 310 K C -0.675 175.813 176.600 -0.188 0.000 0.938 310 K CA -0.994 55.176 56.287 -0.194 0.000 0.819 310 K CB 2.134 34.385 32.500 -0.415 0.000 1.333 310 K HN -0.074 nan 8.250 nan 0.000 0.434 311 K N 1.523 121.744 120.400 -0.298 0.000 2.380 311 K HA 0.074 4.393 4.320 -0.001 0.000 0.267 311 K C 1.163 177.579 176.600 -0.308 0.000 0.990 311 K CA 0.011 56.110 56.287 -0.313 0.000 0.946 311 K CB 0.436 32.648 32.500 -0.481 0.000 0.937 311 K HN 0.439 nan 8.250 nan 0.000 0.491 312 L N 1.630 122.792 121.223 -0.101 0.000 2.131 312 L HA -0.216 4.124 4.340 -0.001 0.000 0.210 312 L C 2.174 179.042 176.870 -0.003 0.000 1.092 312 L CA 1.169 56.040 54.840 0.052 0.000 0.759 312 L CB -0.520 41.591 42.059 0.088 0.000 0.903 312 L HN 0.735 nan 8.230 nan 0.000 0.435 313 Y N -0.831 119.477 120.300 0.013 0.000 2.574 313 Y HA 0.097 4.648 4.550 0.001 0.000 0.294 313 Y C 2.111 177.978 175.900 -0.054 0.000 1.142 313 Y CA 0.398 58.487 58.100 -0.019 0.000 1.314 313 Y CB -0.885 37.571 38.460 -0.007 0.000 0.991 313 Y HN 0.027 nan 8.280 nan 0.000 0.555 314 A N -0.344 122.224 122.820 -0.419 0.000 2.218 314 A HA 0.055 4.374 4.320 -0.001 0.000 0.209 314 A C 0.307 177.701 177.584 -0.317 0.000 1.168 314 A CA -0.197 51.636 52.037 -0.340 0.000 0.804 314 A CB -0.711 17.996 19.000 -0.487 0.000 0.834 314 A HN 0.506 nan 8.150 nan 0.000 0.482 315 H N 0.442 119.413 119.070 -0.164 0.000 2.782 315 H HA 0.112 4.667 4.556 -0.002 0.000 0.285 315 H C 0.883 176.072 175.328 -0.232 0.000 1.093 315 H CA 0.092 56.031 56.048 -0.182 0.000 1.410 315 H CB 1.024 30.677 29.762 -0.181 0.000 1.439 315 H HN 0.612 nan 8.280 nan 0.000 0.469 316 E N 2.841 122.956 120.200 -0.141 0.000 2.160 316 E HA -0.133 4.216 4.350 -0.001 0.000 0.195 316 E C 1.311 177.668 176.600 -0.404 0.000 0.991 316 E CA 0.733 56.990 56.400 -0.237 0.000 0.810 316 E CB 0.404 29.938 29.700 -0.277 0.000 0.742 316 E HN 0.380 nan 8.360 nan 0.000 0.466 317 V N 0.152 119.791 119.914 -0.458 0.000 2.407 317 V HA -0.231 3.889 4.120 -0.001 0.000 0.248 317 V C 2.295 177.735 176.094 -1.089 0.000 1.055 317 V CA 1.363 63.246 62.300 -0.695 0.000 1.049 317 V CB -0.082 31.368 31.823 -0.621 0.000 0.662 317 V HN 0.223 nan 8.190 nan 0.000 0.455 318 V N 0.138 119.551 119.914 -0.835 0.000 2.358 318 V HA -0.200 3.920 4.120 -0.001 0.000 0.246 318 V C 2.702 178.618 176.094 -0.296 0.000 1.047 318 V CA 1.713 63.596 62.300 -0.696 0.000 1.035 318 V CB -1.099 30.542 31.823 -0.303 0.000 0.658 318 V HN 0.547 nan 8.190 nan 0.000 0.452 319 A N -0.676 122.050 122.820 -0.156 0.000 1.903 319 A HA -0.315 4.005 4.320 -0.001 0.000 0.219 319 A C 2.076 179.684 177.584 0.041 0.000 1.191 319 A CA 2.328 54.371 52.037 0.010 0.000 0.638 319 A CB -0.986 18.064 19.000 0.082 0.000 0.823 319 A HN 0.726 nan 8.150 nan 0.000 0.451 320 H N -2.841 116.085 119.070 -0.242 0.000 2.462 320 H HA -0.147 4.409 4.556 -0.000 0.000 0.292 320 H C 1.892 177.108 175.328 -0.186 0.000 1.049 320 H CA 0.779 56.714 56.048 -0.188 0.000 1.334 320 H CB -0.028 29.627 29.762 -0.178 0.000 1.404 320 H HN 0.712 nan 8.280 nan 0.000 0.544 321 W N 1.148 122.226 121.300 -0.370 0.000 2.358 321 W HA -0.102 4.557 4.660 -0.000 0.000 0.303 321 W C 2.225 178.547 176.519 -0.328 0.000 1.208 321 W CA 0.328 57.200 57.345 -0.788 0.000 1.274 321 W CB -1.076 27.824 29.460 -0.934 0.000 1.138 321 W HN 0.169 nan 8.180 nan 0.000 0.515 322 I N 0.572 121.189 120.570 0.078 0.000 2.127 322 I HA -0.350 3.820 4.170 -0.001 0.000 0.241 322 I C 2.623 178.775 176.117 0.059 0.000 1.075 322 I CA 1.941 63.293 61.300 0.086 0.000 1.334 322 I CB -1.073 36.965 38.000 0.063 0.000 1.040 322 I HN -0.133 nan 8.210 nan 0.000 0.405 323 A N 0.426 123.252 122.820 0.010 0.000 1.865 323 A HA -0.230 4.090 4.320 -0.001 0.000 0.217 323 A C 2.231 179.832 177.584 0.027 0.000 1.191 323 A CA 1.724 53.750 52.037 -0.018 0.000 0.623 323 A CB -0.616 18.316 19.000 -0.113 0.000 0.826 323 A HN 0.386 nan 8.150 nan 0.000 0.444 324 E N 0.395 120.622 120.200 0.046 0.000 2.130 324 E HA -0.146 4.203 4.350 -0.001 0.000 0.196 324 E C 2.350 179.106 176.600 0.260 0.000 0.998 324 E CA 1.471 57.967 56.400 0.160 0.000 0.806 324 E CB -0.502 29.340 29.700 0.237 0.000 0.738 324 E HN 0.603 nan 8.360 nan 0.000 0.459 325 S N 0.866 116.739 115.700 0.289 0.000 2.368 325 S HA -0.160 4.310 4.470 -0.001 0.000 0.224 325 S C 1.918 176.607 174.600 0.147 0.000 1.029 325 S CA 1.279 59.643 58.200 0.274 0.000 0.988 325 S CB -0.136 63.235 63.200 0.284 0.000 0.838 325 S HN 0.090 nan 8.310 nan 0.000 0.462 326 R N 1.888 122.451 120.500 0.104 0.000 2.083 326 R HA 0.043 4.383 4.340 -0.001 0.000 0.237 326 R C 1.932 178.264 176.300 0.054 0.000 1.137 326 R CA 1.518 57.656 56.100 0.063 0.000 0.951 326 R CB -1.143 29.179 30.300 0.037 0.000 0.851 326 R HN 0.454 nan 8.270 nan 0.000 0.434 327 I N 0.448 121.052 120.570 0.058 0.000 2.151 327 I HA -0.320 3.850 4.170 -0.001 0.000 0.243 327 I C 2.334 178.484 176.117 0.054 0.000 1.080 327 I CA 1.676 63.005 61.300 0.048 0.000 1.339 327 I CB -0.507 37.522 38.000 0.049 0.000 1.039 327 I HN 0.334 nan 8.210 nan 0.000 0.409 328 A N 0.809 123.676 122.820 0.078 0.000 1.902 328 A HA -0.160 4.160 4.320 -0.001 0.000 0.217 328 A C 2.296 179.903 177.584 0.038 0.000 1.181 328 A CA 1.464 53.538 52.037 0.060 0.000 0.623 328 A CB -0.778 18.267 19.000 0.074 0.000 0.818 328 A HN 0.388 nan 8.150 nan 0.000 0.443 329 I N -0.279 120.317 120.570 0.044 0.000 2.142 329 I HA -0.232 3.938 4.170 -0.001 0.000 0.240 329 I C 2.493 178.621 176.117 0.018 0.000 1.078 329 I CA 1.337 62.655 61.300 0.029 0.000 1.343 329 I CB -0.421 37.600 38.000 0.035 0.000 1.046 329 I HN 0.286 nan 8.210 nan 0.000 0.405 330 E N 1.212 121.424 120.200 0.020 0.000 2.070 330 E HA -0.260 4.090 4.350 -0.001 0.000 0.197 330 E C 2.117 178.722 176.600 0.008 0.000 1.004 330 E CA 1.440 57.847 56.400 0.012 0.000 0.805 330 E CB -0.383 29.324 29.700 0.011 0.000 0.744 330 E HN 0.454 nan 8.360 nan 0.000 0.451 331 K N 0.542 120.949 120.400 0.011 0.000 2.044 331 K HA -0.144 4.176 4.320 -0.001 0.000 0.210 331 K C 2.385 178.986 176.600 0.002 0.000 1.049 331 K CA 1.834 58.125 56.287 0.007 0.000 0.927 331 K CB -0.366 32.141 32.500 0.011 0.000 0.713 331 K HN 0.302 nan 8.250 nan 0.000 0.443 332 I N -1.868 118.703 120.570 0.001 0.000 2.500 332 I HA -0.107 4.063 4.170 -0.001 0.000 0.252 332 I C 2.395 178.509 176.117 -0.006 0.000 1.142 332 I CA 0.825 62.121 61.300 -0.006 0.000 1.451 332 I CB -0.248 37.745 38.000 -0.010 0.000 1.093 332 I HN 0.006 nan 8.210 nan 0.000 0.430 333 R N 1.696 122.194 120.500 -0.003 0.000 2.083 333 R HA -0.136 4.204 4.340 -0.001 0.000 0.237 333 R C 2.331 178.628 176.300 -0.004 0.000 1.137 333 R CA 2.021 58.118 56.100 -0.004 0.000 0.951 333 R CB -0.403 29.895 30.300 -0.003 0.000 0.851 333 R HN 0.451 nan 8.270 nan 0.000 0.434 334 L N 0.504 121.725 121.223 -0.004 0.000 2.042 334 L HA -0.216 4.123 4.340 -0.001 0.000 0.210 334 L C 2.507 179.375 176.870 -0.003 0.000 1.076 334 L CA 0.806 55.643 54.840 -0.005 0.000 0.749 334 L CB -0.420 41.635 42.059 -0.006 0.000 0.893 334 L HN 0.265 nan 8.230 nan 0.000 0.432 335 L N -0.686 120.535 121.223 -0.004 0.000 2.141 335 L HA -0.142 4.198 4.340 -0.001 0.000 0.209 335 L C 2.483 179.350 176.870 -0.005 0.000 1.094 335 L CA 1.851 56.688 54.840 -0.006 0.000 0.763 335 L CB -0.620 41.432 42.059 -0.011 0.000 0.908 335 L HN 0.179 nan 8.230 nan 0.000 0.437 336 T N -0.411 114.139 114.554 -0.006 0.000 2.708 336 T HA -0.197 4.153 4.350 -0.001 0.000 0.266 336 T C 1.955 176.664 174.700 0.014 0.000 1.037 336 T CA 1.807 63.905 62.100 -0.003 0.000 1.146 336 T CB -0.345 68.520 68.868 -0.005 0.000 0.865 336 T HN 0.264 nan 8.240 nan 0.000 0.435 337 L N 0.668 121.900 121.223 0.016 0.000 2.017 337 L HA -0.105 4.234 4.340 -0.001 0.000 0.208 337 L C 2.667 179.572 176.870 0.058 0.000 1.073 337 L CA 1.331 56.192 54.840 0.034 0.000 0.745 337 L CB -0.513 41.554 42.059 0.013 0.000 0.894 337 L HN 0.200 nan 8.230 nan 0.000 0.432 338 K N 0.865 121.288 120.400 0.038 0.000 2.059 338 K HA -0.231 4.088 4.320 -0.001 0.000 0.212 338 K C 1.978 178.624 176.600 0.078 0.000 1.050 338 K CA 1.943 58.266 56.287 0.060 0.000 0.927 338 K CB -0.435 32.081 32.500 0.028 0.000 0.714 338 K HN 0.245 nan 8.250 nan 0.000 0.447 339 A N 0.526 123.367 122.820 0.035 0.000 1.877 339 A HA -0.041 4.279 4.320 -0.001 0.000 0.216 339 A C 2.449 180.039 177.584 0.009 0.000 1.186 339 A CA 2.194 54.234 52.037 0.006 0.000 0.620 339 A CB -1.260 17.726 19.000 -0.024 0.000 0.822 339 A HN 0.511 nan 8.150 nan 0.000 0.443 340 A N -0.882 121.965 122.820 0.045 0.000 1.883 340 A HA -0.227 4.092 4.320 -0.001 0.000 0.217 340 A C 2.045 179.695 177.584 0.110 0.000 1.186 340 A CA 2.229 54.314 52.037 0.080 0.000 0.624 340 A CB -0.987 18.094 19.000 0.134 0.000 0.822 340 A HN 0.786 nan 8.150 nan 0.000 0.444 341 H N 0.007 119.099 119.070 0.037 0.000 2.421 341 H HA -0.047 4.508 4.556 -0.001 0.000 0.298 341 H C 2.185 177.527 175.328 0.023 0.000 1.087 341 H CA 1.800 57.870 56.048 0.036 0.000 1.330 341 H CB -0.076 29.700 29.762 0.023 0.000 1.388 341 H HN 0.403 nan 8.280 nan 0.000 0.526 342 S N -0.155 115.521 115.700 -0.040 0.000 2.355 342 S HA -0.154 4.316 4.470 -0.001 0.000 0.222 342 S C 2.181 176.714 174.600 -0.111 0.000 1.031 342 S CA 1.416 59.559 58.200 -0.094 0.000 0.993 342 S CB -0.196 62.984 63.200 -0.034 0.000 0.859 342 S HN 0.449 nan 8.310 nan 0.000 0.453 343 M N 1.307 120.846 119.600 -0.101 0.000 2.106 343 M HA -0.176 4.304 4.480 -0.001 0.000 0.259 343 M C 1.658 177.931 176.300 -0.045 0.000 1.068 343 M CA 1.368 56.584 55.300 -0.139 0.000 1.100 343 M CB -0.700 31.698 32.600 -0.337 0.000 1.351 343 M HN 0.153 nan 8.290 nan 0.000 0.404 344 D N -0.046 120.365 120.400 0.019 0.000 2.149 344 D HA -0.123 4.516 4.640 -0.001 0.000 0.198 344 D C 2.069 178.337 176.300 -0.052 0.000 0.990 344 D CA 2.097 56.128 54.000 0.052 0.000 0.839 344 D CB -0.224 40.586 40.800 0.017 0.000 0.948 344 D HN 0.481 nan 8.370 nan 0.000 0.460 345 T N -2.931 111.535 114.554 -0.148 0.000 3.022 345 T HA 0.199 4.548 4.350 -0.001 0.000 0.250 345 T C 1.723 176.373 174.700 -0.084 0.000 1.060 345 T CA -0.014 62.002 62.100 -0.141 0.000 1.013 345 T CB 0.146 68.870 68.868 -0.240 0.000 0.982 345 T HN 0.084 nan 8.240 nan 0.000 0.508 346 L N 0.089 121.268 121.223 -0.073 0.000 2.948 346 L HA 0.522 4.861 4.340 -0.001 0.000 0.259 346 L C 1.214 178.063 176.870 -0.035 0.000 1.136 346 L CA -0.040 54.771 54.840 -0.048 0.000 0.959 346 L CB 0.142 42.172 42.059 -0.049 0.000 1.370 346 L HN 0.553 nan 8.230 nan 0.000 0.552 347 G N 1.105 109.882 108.800 -0.038 0.000 2.758 347 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.686 347 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.686 347 G C 0.613 175.477 174.900 -0.059 0.000 1.389 347 G CA 0.017 45.098 45.100 -0.032 0.000 0.845 347 G HN 0.263 nan 8.290 nan 0.000 0.572 348 S N -0.292 115.366 115.700 -0.070 0.000 2.481 348 S HA 0.247 4.717 4.470 -0.001 0.000 0.231 348 S C 2.554 177.124 174.600 -0.049 0.000 0.996 348 S CA 1.666 59.812 58.200 -0.090 0.000 0.942 348 S CB -0.086 63.047 63.200 -0.112 0.000 0.768 348 S HN 2.192 nan 8.310 nan 0.000 0.520 349 A N 1.877 124.684 122.820 -0.021 0.000 1.854 349 A HA 0.319 4.639 4.320 -0.001 0.000 0.214 349 A C 2.371 179.946 177.584 -0.016 0.000 1.192 349 A CA 1.193 53.226 52.037 -0.006 0.000 0.611 349 A CB -1.660 17.348 19.000 0.013 0.000 0.832 349 A HN 0.662 nan 8.150 nan 0.000 0.442 350 G N -1.081 107.708 108.800 -0.020 0.000 2.559 350 G HA2 0.180 4.140 3.960 -0.001 0.000 0.216 350 G HA3 0.180 4.140 3.960 -0.001 0.000 0.216 350 G C 1.103 175.985 174.900 -0.030 0.000 1.126 350 G CA 1.012 46.099 45.100 -0.021 0.000 0.778 350 G HN 0.846 nan 8.290 nan 0.000 0.543 351 A N -0.339 122.455 122.820 -0.042 0.000 2.387 351 A HA 0.414 4.733 4.320 -0.001 0.000 0.234 351 A C 1.797 179.353 177.584 -0.047 0.000 1.253 351 A CA 0.653 52.661 52.037 -0.050 0.000 0.894 351 A CB -0.108 18.848 19.000 -0.074 0.000 0.963 351 A HN 0.291 nan 8.150 nan 0.000 0.508 352 K N 0.929 121.307 120.400 -0.036 0.000 2.049 352 K HA -0.303 4.016 4.320 -0.001 0.000 0.219 352 K C 2.049 178.630 176.600 -0.031 0.000 1.056 352 K CA 2.345 58.614 56.287 -0.030 0.000 0.946 352 K CB -0.178 32.313 32.500 -0.016 0.000 0.723 352 K HN 0.472 nan 8.250 nan 0.000 0.453 353 K N 0.367 120.752 120.400 -0.024 0.000 2.032 353 K HA -0.208 4.112 4.320 -0.001 0.000 0.209 353 K C 1.938 178.518 176.600 -0.032 0.000 1.048 353 K CA 2.158 58.432 56.287 -0.021 0.000 0.927 353 K CB -0.003 32.489 32.500 -0.013 0.000 0.712 353 K HN 0.139 nan 8.250 nan 0.000 0.441 354 E N 0.556 120.736 120.200 -0.033 0.000 2.153 354 E HA -0.141 4.209 4.350 -0.001 0.000 0.194 354 E C 1.832 178.397 176.600 -0.059 0.000 0.988 354 E CA 1.147 57.526 56.400 -0.036 0.000 0.811 354 E CB -0.060 29.626 29.700 -0.024 0.000 0.746 354 E HN 0.370 nan 8.360 nan 0.000 0.466 355 I N 0.467 120.992 120.570 -0.076 0.000 2.252 355 I HA -0.241 3.929 4.170 -0.001 0.000 0.245 355 I C 2.301 178.323 176.117 -0.158 0.000 1.102 355 I CA 0.939 62.174 61.300 -0.109 0.000 1.385 355 I CB -0.311 37.621 38.000 -0.113 0.000 1.064 355 I HN 0.099 nan 8.210 nan 0.000 0.414 356 A N 0.650 123.379 122.820 -0.150 0.000 1.917 356 A HA -0.277 4.043 4.320 -0.001 0.000 0.219 356 A C 2.390 179.878 177.584 -0.159 0.000 1.182 356 A CA 1.938 53.853 52.037 -0.202 0.000 0.633 356 A CB -0.668 18.299 19.000 -0.055 0.000 0.819 356 A HN 0.354 nan 8.150 nan 0.000 0.448 357 M N -1.672 117.874 119.600 -0.090 0.000 2.117 357 M HA -0.122 4.358 4.480 -0.001 0.000 0.262 357 M C 2.177 178.434 176.300 -0.071 0.000 1.065 357 M CA 1.568 56.832 55.300 -0.061 0.000 1.114 357 M CB -0.319 32.258 32.600 -0.038 0.000 1.361 357 M HN 0.493 nan 8.290 nan 0.000 0.408 358 I N 0.366 120.887 120.570 -0.083 0.000 2.500 358 I HA -0.178 3.991 4.170 -0.001 0.000 0.252 358 I C 2.162 178.220 176.117 -0.098 0.000 1.142 358 I CA 1.498 62.754 61.300 -0.074 0.000 1.451 358 I CB -0.358 37.607 38.000 -0.058 0.000 1.093 358 I HN 0.036 nan 8.210 nan 0.000 0.430 359 K N 0.226 120.528 120.400 -0.163 0.000 2.147 359 K HA -0.073 4.246 4.320 -0.001 0.000 0.205 359 K C 1.830 178.343 176.600 -0.144 0.000 1.049 359 K CA 1.899 58.060 56.287 -0.211 0.000 0.936 359 K CB -0.553 31.668 32.500 -0.465 0.000 0.722 359 K HN 0.273 nan 8.250 nan 0.000 0.446 360 V N 0.405 120.251 119.914 -0.113 0.000 2.302 360 V HA -0.092 4.028 4.120 -0.001 0.000 0.243 360 V C 2.325 178.390 176.094 -0.047 0.000 1.036 360 V CA 1.717 63.990 62.300 -0.045 0.000 1.020 360 V CB -0.848 30.964 31.823 -0.017 0.000 0.657 360 V HN 0.424 nan 8.190 nan 0.000 0.453 361 A N 0.200 122.991 122.820 -0.049 0.000 1.858 361 A HA -0.124 4.196 4.320 -0.001 0.000 0.216 361 A C 2.418 179.973 177.584 -0.047 0.000 1.190 361 A CA 2.316 54.329 52.037 -0.041 0.000 0.617 361 A CB -0.966 18.014 19.000 -0.034 0.000 0.827 361 A HN 0.551 nan 8.150 nan 0.000 0.443 362 A N 0.202 122.992 122.820 -0.050 0.000 1.841 362 A HA -0.037 4.282 4.320 -0.001 0.000 0.216 362 A C 0.315 177.862 177.584 -0.061 0.000 1.199 362 A CA 1.942 53.950 52.037 -0.048 0.000 0.621 362 A CB -1.808 17.168 19.000 -0.041 0.000 0.835 362 A HN 0.445 nan 8.150 nan 0.000 0.445 363 P HA -0.196 nan 4.420 nan 0.000 0.215 363 P C 1.597 178.832 177.300 -0.109 0.000 1.153 363 P CA 1.714 64.755 63.100 -0.099 0.000 0.853 363 P CB -0.223 31.411 31.700 -0.110 0.000 0.788 364 R N -0.210 120.234 120.500 -0.094 0.000 2.090 364 R HA 0.065 4.405 4.340 -0.001 0.000 0.228 364 R C 2.113 178.346 176.300 -0.112 0.000 1.110 364 R CA 1.492 57.533 56.100 -0.098 0.000 0.973 364 R CB -1.457 28.797 30.300 -0.077 0.000 0.869 364 R HN 0.012 nan 8.270 nan 0.000 0.440 365 A N 1.534 124.298 122.820 -0.094 0.000 1.877 365 A HA -0.043 4.277 4.320 -0.001 0.000 0.216 365 A C 2.400 179.915 177.584 -0.115 0.000 1.186 365 A CA 1.552 53.530 52.037 -0.099 0.000 0.620 365 A CB -0.540 18.427 19.000 -0.055 0.000 0.822 365 A HN 0.170 nan 8.150 nan 0.000 0.443 366 V N -0.618 119.244 119.914 -0.087 0.000 2.427 366 V HA -0.179 3.941 4.120 -0.001 0.000 0.248 366 V C 2.729 178.768 176.094 -0.092 0.000 1.051 366 V CA 2.056 64.313 62.300 -0.071 0.000 1.048 366 V CB -0.670 31.122 31.823 -0.051 0.000 0.666 366 V HN 0.617 nan 8.190 nan 0.000 0.456 367 S N -0.529 115.101 115.700 -0.117 0.000 2.365 367 S HA -0.327 4.143 4.470 -0.001 0.000 0.225 367 S C 2.141 176.688 174.600 -0.089 0.000 1.039 367 S CA 2.356 60.494 58.200 -0.104 0.000 1.033 367 S CB -0.263 62.850 63.200 -0.145 0.000 0.887 367 S HN 0.614 nan 8.310 nan 0.000 0.447 368 K N 0.212 120.466 120.400 -0.243 0.000 2.057 368 K HA -0.004 4.316 4.320 -0.001 0.000 0.206 368 K C 2.037 178.234 176.600 -0.672 0.000 1.050 368 K CA 1.455 57.421 56.287 -0.534 0.000 0.935 368 K CB -0.252 31.869 32.500 -0.631 0.000 0.715 368 K HN 0.414 nan 8.250 nan 0.000 0.439 369 I N 0.627 120.986 120.570 -0.352 0.000 2.163 369 I HA -0.287 3.883 4.170 -0.001 0.000 0.243 369 I C 2.160 178.269 176.117 -0.013 0.000 1.085 369 I CA 0.978 62.231 61.300 -0.078 0.000 1.347 369 I CB -0.191 37.832 38.000 0.038 0.000 1.044 369 I HN -0.009 nan 8.210 nan 0.000 0.408 370 V N 0.696 120.593 119.914 -0.029 0.000 2.343 370 V HA -0.334 3.786 4.120 -0.001 0.000 0.247 370 V C 2.150 178.229 176.094 -0.025 0.000 1.051 370 V CA 2.383 64.697 62.300 0.022 0.000 1.036 370 V CB -0.679 31.193 31.823 0.081 0.000 0.654 370 V HN 0.460 nan 8.190 nan 0.000 0.451 371 D N -1.211 119.122 120.400 -0.112 0.000 2.178 371 D HA -0.194 4.445 4.640 -0.001 0.000 0.201 371 D C 1.948 178.119 176.300 -0.214 0.000 0.980 371 D CA 1.152 55.006 54.000 -0.243 0.000 0.842 371 D CB -0.079 40.512 40.800 -0.350 0.000 0.948 371 D HN 0.470 nan 8.370 nan 0.000 0.472 372 W N 0.869 121.973 121.300 -0.328 0.000 2.418 372 W HA 0.162 4.822 4.660 -0.000 0.000 0.292 372 W C 2.441 178.809 176.519 -0.252 0.000 1.213 372 W CA 0.895 57.930 57.345 -0.518 0.000 1.283 372 W CB -1.176 27.944 29.460 -0.566 0.000 1.119 372 W HN 0.051 nan 8.180 nan 0.000 0.542 373 A N 0.275 123.164 122.820 0.115 0.000 1.933 373 A HA -0.169 4.150 4.320 -0.001 0.000 0.218 373 A C 2.016 179.592 177.584 -0.014 0.000 1.175 373 A CA 1.673 53.753 52.037 0.071 0.000 0.628 373 A CB -0.930 18.105 19.000 0.059 0.000 0.814 373 A HN 0.211 nan 8.150 nan 0.000 0.444 374 I N -0.986 119.553 120.570 -0.052 0.000 2.286 374 I HA -0.259 3.910 4.170 -0.001 0.000 0.248 374 I C 2.714 178.790 176.117 -0.069 0.000 1.115 374 I CA 1.669 62.914 61.300 -0.093 0.000 1.392 374 I CB -0.164 37.759 38.000 -0.128 0.000 1.065 374 I HN 0.376 nan 8.210 nan 0.000 0.418 375 Q N 0.550 120.324 119.800 -0.044 0.000 2.119 375 Q HA -0.116 4.224 4.340 -0.001 0.000 0.201 375 Q C 2.086 178.154 176.000 0.114 0.000 0.972 375 Q CA 1.520 57.331 55.803 0.013 0.000 0.847 375 Q CB -0.116 28.598 28.738 -0.041 0.000 0.903 375 Q HN 0.333 nan 8.270 nan 0.000 0.433 376 V N -0.791 119.213 119.914 0.150 0.000 2.515 376 V HA -0.233 3.887 4.120 -0.001 0.000 0.250 376 V C 1.983 178.107 176.094 0.049 0.000 1.058 376 V CA 1.473 63.879 62.300 0.177 0.000 1.064 376 V CB -0.338 31.613 31.823 0.213 0.000 0.675 376 V HN 0.472 nan 8.190 nan 0.000 0.461 377 C N 0.195 119.468 119.300 -0.046 0.000 2.539 377 C HA 0.440 4.900 4.460 -0.001 0.000 0.271 377 C C 1.782 176.731 174.990 -0.069 0.000 1.412 377 C CA 0.046 58.977 59.018 -0.145 0.000 1.729 377 C CB -1.877 25.624 27.740 -0.398 0.000 1.739 377 C HN 0.819 nan 8.230 nan 0.000 0.570 378 G N 0.847 109.636 108.800 -0.018 0.000 2.564 378 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.273 378 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.273 378 G C 0.949 175.842 174.900 -0.010 0.000 1.242 378 G CA 0.122 45.222 45.100 0.000 0.000 0.951 378 G HN 0.635 nan 8.290 nan 0.000 0.564 379 G N -0.236 108.566 108.800 0.004 0.000 2.485 379 G HA2 0.175 4.135 3.960 -0.001 0.000 0.221 379 G HA3 0.175 4.135 3.960 -0.001 0.000 0.221 379 G C 2.102 177.015 174.900 0.022 0.000 1.115 379 G CA 2.859 47.963 45.100 0.007 0.000 0.751 379 G HN 1.958 nan 8.290 nan 0.000 0.567 380 A N 0.772 123.616 122.820 0.039 0.000 2.019 380 A HA 0.173 4.493 4.320 -0.001 0.000 0.219 380 A C 2.657 180.286 177.584 0.074 0.000 1.164 380 A CA 1.881 53.983 52.037 0.109 0.000 0.644 380 A CB -0.819 18.299 19.000 0.196 0.000 0.805 380 A HN 0.506 nan 8.150 nan 0.000 0.449 381 G N -0.126 108.645 108.800 -0.050 0.000 2.442 381 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.219 381 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.219 381 G C 1.432 176.323 174.900 -0.015 0.000 1.141 381 G CA 1.638 46.685 45.100 -0.089 0.000 0.763 381 G HN 1.069 nan 8.290 nan 0.000 0.554 382 V N -0.233 119.676 119.914 -0.008 0.000 3.623 382 V HA 0.267 4.386 4.120 -0.001 0.000 0.271 382 V C 1.233 177.354 176.094 0.046 0.000 1.248 382 V CA 0.502 62.801 62.300 -0.002 0.000 1.156 382 V CB -0.600 31.199 31.823 -0.041 0.000 0.870 382 V HN 0.383 nan 8.190 nan 0.000 0.453 383 S N 0.962 116.711 115.700 0.081 0.000 2.669 383 S HA 0.246 4.716 4.470 -0.001 0.000 0.270 383 S C 1.198 175.869 174.600 0.119 0.000 1.225 383 S CA 0.084 58.339 58.200 0.092 0.000 0.991 383 S CB 1.274 64.534 63.200 0.100 0.000 0.987 383 S HN 0.599 nan 8.310 nan 0.000 0.552 384 Q N 0.168 120.021 119.800 0.088 0.000 2.437 384 Q HA -0.138 4.202 4.340 -0.001 0.000 0.210 384 Q C -0.007 176.025 176.000 0.053 0.000 0.972 384 Q CA 1.449 57.297 55.803 0.076 0.000 0.903 384 Q CB -0.674 28.093 28.738 0.049 0.000 0.967 384 Q HN 0.715 nan 8.270 nan 0.000 0.486 385 D N -0.267 120.169 120.400 0.060 0.000 2.347 385 D HA 0.059 4.698 4.640 -0.001 0.000 0.215 385 D C -0.407 175.766 176.300 -0.212 0.000 0.976 385 D CA 0.621 54.594 54.000 -0.045 0.000 0.884 385 D CB 0.044 40.832 40.800 -0.019 0.000 0.915 385 D HN 0.259 nan 8.370 nan 0.000 0.526 386 Y N -1.191 119.130 120.300 0.034 0.000 2.605 386 Y HA 0.314 4.863 4.550 -0.001 0.000 0.343 386 Y C -1.693 174.227 175.900 0.033 0.000 1.036 386 Y CA -1.903 56.219 58.100 0.037 0.000 1.065 386 Y CB 2.012 40.495 38.460 0.038 0.000 1.288 386 Y HN -0.271 nan 8.280 nan 0.000 0.481 387 P HA 0.139 nan 4.420 nan 0.000 0.257 387 P C 0.648 178.011 177.300 0.104 0.000 1.281 387 P CA 0.514 63.681 63.100 0.111 0.000 0.826 387 P CB 0.362 32.122 31.700 0.100 0.000 1.237 388 L N -0.203 121.104 121.223 0.141 0.000 2.093 388 L HA -0.094 4.245 4.340 -0.001 0.000 0.208 388 L C 2.630 179.553 176.870 0.089 0.000 1.085 388 L CA 1.575 56.470 54.840 0.091 0.000 0.755 388 L CB -1.103 40.982 42.059 0.044 0.000 0.904 388 L HN -0.031 nan 8.230 nan 0.000 0.435 389 A N -0.083 122.800 122.820 0.105 0.000 1.930 389 A HA -0.190 4.129 4.320 -0.001 0.000 0.217 389 A C 2.139 179.819 177.584 0.160 0.000 1.175 389 A CA 1.598 53.721 52.037 0.143 0.000 0.627 389 A CB -0.541 18.567 19.000 0.180 0.000 0.815 389 A HN 0.426 nan 8.150 nan 0.000 0.443 390 N N -0.439 118.269 118.700 0.013 0.000 2.084 390 N HA -0.128 4.611 4.740 -0.001 0.000 0.190 390 N C 1.842 177.292 175.510 -0.100 0.000 1.030 390 N CA 1.792 54.697 53.050 -0.241 0.000 0.849 390 N CB -0.302 38.005 38.487 -0.301 0.000 1.012 390 N HN 0.522 nan 8.380 nan 0.000 0.423 391 M N -0.382 119.207 119.600 -0.019 0.000 2.108 391 M HA -0.232 4.247 4.480 -0.001 0.000 0.261 391 M C 2.114 178.414 176.300 0.000 0.000 1.066 391 M CA 1.503 56.804 55.300 0.002 0.000 1.107 391 M CB -0.516 32.105 32.600 0.034 0.000 1.356 391 M HN 0.182 nan 8.290 nan 0.000 0.406 392 Y N 0.780 121.048 120.300 -0.054 0.000 2.181 392 Y HA -0.236 4.314 4.550 -0.000 0.000 0.288 392 Y C 2.386 178.263 175.900 -0.039 0.000 1.146 392 Y CA 1.674 59.729 58.100 -0.075 0.000 1.164 392 Y CB -0.416 37.970 38.460 -0.122 0.000 0.982 392 Y HN 0.176 nan 8.280 nan 0.000 0.515 393 A N 0.349 123.174 122.820 0.008 0.000 1.940 393 A HA -0.200 4.119 4.320 -0.001 0.000 0.219 393 A C 2.251 179.808 177.584 -0.045 0.000 1.176 393 A CA 2.088 54.187 52.037 0.103 0.000 0.631 393 A CB -1.167 18.006 19.000 0.289 0.000 0.814 393 A HN 0.594 nan 8.150 nan 0.000 0.446 394 I N 0.151 120.663 120.570 -0.096 0.000 2.226 394 I HA -0.237 3.933 4.170 -0.001 0.000 0.245 394 I C 2.853 178.863 176.117 -0.179 0.000 1.100 394 I CA 1.870 63.103 61.300 -0.112 0.000 1.374 394 I CB -0.530 37.426 38.000 -0.073 0.000 1.057 394 I HN 0.551 nan 8.210 nan 0.000 0.413 395 T N -1.407 113.008 114.554 -0.232 0.000 2.904 395 T HA -0.144 4.205 4.350 -0.001 0.000 0.267 395 T C 1.985 176.496 174.700 -0.314 0.000 1.059 395 T CA 0.726 62.672 62.100 -0.256 0.000 1.137 395 T CB -0.252 68.470 68.868 -0.243 0.000 0.879 395 T HN 0.080 nan 8.240 nan 0.000 0.467 396 R N 1.165 121.401 120.500 -0.439 0.000 2.096 396 R HA 0.084 4.424 4.340 -0.001 0.000 0.235 396 R C 2.207 178.378 176.300 -0.214 0.000 1.127 396 R CA 1.234 57.130 56.100 -0.340 0.000 0.968 396 R CB -1.287 28.847 30.300 -0.277 0.000 0.861 396 R HN 0.373 nan 8.270 nan 0.000 0.440 397 V N 0.368 120.153 119.914 -0.215 0.000 2.667 397 V HA -0.095 4.025 4.120 -0.001 0.000 0.252 397 V C 1.947 177.879 176.094 -0.271 0.000 1.065 397 V CA 1.276 63.418 62.300 -0.263 0.000 1.083 397 V CB -0.262 31.396 31.823 -0.275 0.000 0.692 397 V HN 0.289 nan 8.190 nan 0.000 0.468 398 L N -0.592 120.483 121.223 -0.246 0.000 2.478 398 L HA -0.007 4.333 4.340 -0.001 0.000 0.223 398 L C 2.357 179.128 176.870 -0.166 0.000 1.140 398 L CA 0.772 55.469 54.840 -0.238 0.000 0.842 398 L CB -0.385 41.530 42.059 -0.240 0.000 0.953 398 L HN 0.243 nan 8.230 nan 0.000 0.452 399 R N -0.494 119.913 120.500 -0.156 0.000 2.316 399 R HA 0.010 4.350 4.340 -0.001 0.000 0.202 399 R C 1.458 177.690 176.300 -0.114 0.000 1.029 399 R CA 0.686 56.719 56.100 -0.111 0.000 1.018 399 R CB 0.118 30.354 30.300 -0.107 0.000 0.888 399 R HN 0.377 nan 8.270 nan 0.000 0.471 400 L N -0.941 120.182 121.223 -0.167 0.000 2.588 400 L HA 0.307 4.647 4.340 -0.001 0.000 0.194 400 L C 0.841 177.594 176.870 -0.195 0.000 1.070 400 L CA -0.176 54.546 54.840 -0.197 0.000 0.852 400 L CB -0.132 41.757 42.059 -0.284 0.000 1.199 400 L HN -0.005 nan 8.230 nan 0.000 0.486 401 A N 0.151 122.831 122.820 -0.233 0.000 2.466 401 A HA 0.104 4.423 4.320 -0.001 0.000 0.238 401 A C 0.327 177.869 177.584 -0.071 0.000 1.074 401 A CA 0.244 52.168 52.037 -0.187 0.000 0.774 401 A CB -0.065 18.796 19.000 -0.232 0.000 1.015 401 A HN 0.545 nan 8.150 nan 0.000 0.498 402 D N -0.980 119.425 120.400 0.008 0.000 3.039 402 D HA -0.131 4.509 4.640 -0.001 0.000 0.222 402 D C 0.486 176.869 176.300 0.138 0.000 1.179 402 D CA 2.832 56.888 54.000 0.094 0.000 0.880 402 D CB -1.528 39.347 40.800 0.126 0.000 1.115 402 D HN 2.115 nan 8.370 nan 0.000 0.416 403 G N -1.273 107.548 108.800 0.034 0.000 3.226 403 G HA2 0.109 4.068 3.960 -0.001 0.000 0.685 403 G HA3 0.109 4.068 3.960 -0.001 0.000 0.685 403 G C -3.052 171.786 174.900 -0.104 0.000 1.207 403 G CA -0.744 44.299 45.100 -0.095 0.000 0.877 403 G HN 0.042 nan 8.290 nan 0.000 0.585 404 P HA 0.266 nan 4.420 nan 0.000 0.274 404 P C 0.607 177.863 177.300 -0.074 0.000 1.237 404 P CA -0.378 62.656 63.100 -0.111 0.000 0.793 404 P CB 0.746 32.374 31.700 -0.120 0.000 0.977 405 D N 1.330 121.726 120.400 -0.006 0.000 2.127 405 D HA -0.203 4.437 4.640 -0.001 0.000 0.190 405 D C 1.522 177.826 176.300 0.008 0.000 1.000 405 D CA 1.741 55.765 54.000 0.040 0.000 0.839 405 D CB -0.614 40.188 40.800 0.003 0.000 0.955 405 D HN 0.468 nan 8.370 nan 0.000 0.446 406 E N 0.231 120.411 120.200 -0.033 0.000 2.147 406 E HA -0.141 4.208 4.350 -0.001 0.000 0.199 406 E C 2.243 178.805 176.600 -0.064 0.000 1.005 406 E CA 0.462 56.838 56.400 -0.040 0.000 0.810 406 E CB -0.392 29.282 29.700 -0.045 0.000 0.736 406 E HN 0.165 nan 8.360 nan 0.000 0.460 407 V N 0.664 120.497 119.914 -0.135 0.000 2.453 407 V HA -0.207 3.913 4.120 -0.001 0.000 0.247 407 V C 1.956 177.942 176.094 -0.179 0.000 1.048 407 V CA 1.647 63.830 62.300 -0.194 0.000 1.049 407 V CB -0.482 31.162 31.823 -0.299 0.000 0.672 407 V HN 0.370 nan 8.190 nan 0.000 0.457 408 H N -0.459 118.586 119.070 -0.043 0.000 2.395 408 H HA 0.022 4.577 4.556 -0.001 0.000 0.299 408 H C 2.313 177.620 175.328 -0.034 0.000 1.070 408 H CA 1.301 57.325 56.048 -0.040 0.000 1.356 408 H CB -0.142 29.595 29.762 -0.041 0.000 1.401 408 H HN 0.320 nan 8.280 nan 0.000 0.524 409 L N 0.003 121.274 121.223 0.079 0.000 2.046 409 L HA -0.154 4.185 4.340 -0.001 0.000 0.208 409 L C 2.579 179.458 176.870 0.015 0.000 1.077 409 L CA 0.949 55.810 54.840 0.036 0.000 0.747 409 L CB -0.247 41.822 42.059 0.017 0.000 0.896 409 L HN 0.109 nan 8.230 nan 0.000 0.432 410 S N -0.373 115.327 115.700 -0.001 0.000 2.382 410 S HA -0.162 4.308 4.470 -0.001 0.000 0.228 410 S C 2.164 176.761 174.600 -0.005 0.000 1.027 410 S CA 1.127 59.322 58.200 -0.010 0.000 0.991 410 S CB -0.257 62.928 63.200 -0.025 0.000 0.823 410 S HN 0.508 nan 8.310 nan 0.000 0.469 411 A N 1.588 124.410 122.820 0.002 0.000 1.877 411 A HA -0.074 4.245 4.320 -0.001 0.000 0.216 411 A C 2.049 179.641 177.584 0.013 0.000 1.186 411 A CA 1.320 53.362 52.037 0.009 0.000 0.620 411 A CB -0.775 18.243 19.000 0.031 0.000 0.822 411 A HN 0.485 nan 8.150 nan 0.000 0.443 412 I N -0.078 120.505 120.570 0.021 0.000 2.163 412 I HA -0.321 3.848 4.170 -0.001 0.000 0.243 412 I C 2.983 179.103 176.117 0.005 0.000 1.085 412 I CA 1.193 62.500 61.300 0.012 0.000 1.347 412 I CB -0.430 37.578 38.000 0.012 0.000 1.044 412 I HN 0.357 nan 8.210 nan 0.000 0.408 413 A N 0.405 123.228 122.820 0.005 0.000 1.908 413 A HA -0.232 4.088 4.320 -0.001 0.000 0.218 413 A C 2.399 179.983 177.584 0.000 0.000 1.181 413 A CA 2.619 54.657 52.037 0.002 0.000 0.627 413 A CB -1.186 17.814 19.000 0.000 0.000 0.818 413 A HN 0.425 nan 8.150 nan 0.000 0.445 414 T N -0.019 114.534 114.554 -0.001 0.000 2.708 414 T HA -0.159 4.190 4.350 -0.001 0.000 0.266 414 T C 1.974 176.673 174.700 -0.003 0.000 1.037 414 T CA 1.806 63.904 62.100 -0.003 0.000 1.146 414 T CB -0.309 68.555 68.868 -0.006 0.000 0.865 414 T HN 0.444 nan 8.240 nan 0.000 0.435 415 M N 0.578 120.177 119.600 -0.002 0.000 2.117 415 M HA -0.103 4.377 4.480 -0.001 0.000 0.262 415 M C 2.505 178.804 176.300 -0.001 0.000 1.065 415 M CA 1.494 56.793 55.300 -0.002 0.000 1.114 415 M CB -0.322 32.277 32.600 -0.002 0.000 1.361 415 M HN 0.141 nan 8.290 nan 0.000 0.408 416 E N 1.102 121.302 120.200 -0.000 0.000 2.058 416 E HA -0.166 4.184 4.350 -0.001 0.000 0.194 416 E C 1.730 178.330 176.600 0.000 0.000 0.997 416 E CA 1.553 57.953 56.400 0.000 0.000 0.801 416 E CB -0.439 29.262 29.700 0.001 0.000 0.746 416 E HN 0.471 nan 8.360 nan 0.000 0.450 417 L N -0.205 121.018 121.223 0.000 0.000 2.275 417 L HA -0.089 4.250 4.340 -0.001 0.000 0.215 417 L C 2.616 179.486 176.870 0.000 0.000 1.119 417 L CA 1.013 55.853 54.840 0.001 0.000 0.790 417 L CB -0.214 41.845 42.059 0.001 0.000 0.919 417 L HN 0.067 nan 8.230 nan 0.000 0.443 418 R N -0.299 120.201 120.500 -0.000 0.000 2.062 418 R HA -0.109 4.231 4.340 -0.001 0.000 0.229 418 R C 1.873 178.173 176.300 0.000 0.000 1.128 418 R CA 1.335 57.435 56.100 -0.000 0.000 0.960 418 R CB -0.173 30.126 30.300 -0.002 0.000 0.855 418 R HN 0.288 nan 8.270 nan 0.000 0.432 419 D N 0.197 120.597 120.400 0.000 0.000 2.144 419 D HA -0.161 4.479 4.640 -0.001 0.000 0.200 419 D C 1.848 178.149 176.300 0.001 0.000 0.978 419 D CA 1.077 55.077 54.000 0.001 0.000 0.833 419 D CB -0.117 40.684 40.800 0.001 0.000 0.961 419 D HN 0.060 nan 8.370 nan 0.000 0.470 420 Q N 0.571 120.372 119.800 0.001 0.000 2.124 420 Q HA -0.021 4.319 4.340 -0.001 0.000 0.202 420 Q C 1.914 177.915 176.000 0.002 0.000 0.977 420 Q CA 1.597 57.401 55.803 0.002 0.000 0.850 420 Q CB -0.319 28.420 28.738 0.002 0.000 0.901 420 Q HN 0.230 nan 8.270 nan 0.000 0.429 421 A N 0.185 123.006 122.820 0.002 0.000 1.898 421 A HA -0.181 4.139 4.320 -0.001 0.000 0.216 421 A C 1.942 179.527 177.584 0.002 0.000 1.181 421 A CA 1.498 53.536 52.037 0.002 0.000 0.620 421 A CB -0.401 18.600 19.000 0.002 0.000 0.819 421 A HN 0.314 nan 8.150 nan 0.000 0.442 422 K N -0.376 120.025 120.400 0.002 0.000 2.001 422 K HA -0.192 4.127 4.320 -0.001 0.000 0.214 422 K C 2.184 178.785 176.600 0.002 0.000 1.050 422 K CA 1.938 58.227 56.287 0.002 0.000 0.934 422 K CB -0.254 32.247 32.500 0.002 0.000 0.718 422 K HN 0.401 nan 8.250 nan 0.000 0.443 423 R N 0.666 121.167 120.500 0.003 0.000 2.200 423 R HA -0.116 4.223 4.340 -0.001 0.000 0.234 423 R C 2.035 178.337 176.300 0.003 0.000 1.127 423 R CA 0.945 57.047 56.100 0.003 0.000 0.989 423 R CB -0.297 30.005 30.300 0.003 0.000 0.869 423 R HN 0.248 nan 8.270 nan 0.000 0.459 424 L N 0.357 121.582 121.223 0.003 0.000 2.509 424 L HA 0.037 4.377 4.340 -0.001 0.000 0.222 424 L C 1.404 178.276 176.870 0.003 0.000 1.123 424 L CA 0.177 55.019 54.840 0.003 0.000 0.856 424 L CB -0.712 41.349 42.059 0.003 0.000 0.985 424 L HN 0.193 nan 8.230 nan 0.000 0.456 425 T N 0.000 114.556 114.554 0.003 0.000 3.816 425 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 425 T CA 0.000 62.102 62.100 0.003 0.000 1.349 425 T CB 0.000 68.870 68.868 0.003 0.000 0.612 425 T HN 0.000 nan 8.240 nan 0.000 0.658