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 3kd9_1_C DATA FIRST_RESID 2 DATA SEQUENCE SLKKVVIIGG GAAGMSAASR VKRLKPEWDV KVFEATEWVS XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXEVFIKK RGIDLHLNAE VIEVDTGYVR VRENGGEKSY DATA SEQUENCE EWDYLVFANG ASPQVPAIEG VNLKGVFTAD LPPDALAIRE YMEKYKVENV DATA SEQUENCE VIIGGGYIGI EMAEAFAAQG KNVTMIVRGE RVLRRSFDKE VTDILEEKLK DATA SEQUENCE KHVNLRLQEI TMKIEGEERV EKVVTDAGEY KAELVILATG IKPNIELAKQ DATA SEQUENCE LGVRIGETGA IWTNEKMQTS VENVYAAGDV AETRHVITGR RVWVPLAPAG DATA SEQUENCE NKMGYVAGSN IAGKELHFPG VLGTAVTKFM DVEIGKTGLT EMEALKEGYD DATA SEQUENCE VRTAFIKAST RPHYYPGGRE IWLKGVVDNE TNRLLGVQVV GSDILPRIDT DATA SEQUENCE AAAMLMAGFT TKDAFFTDLA YAPPFAPVWD PLIVLARVLK EG 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.600 174.600 0.001 0.000 1.055 2 S CA 0.000 58.231 58.200 0.052 0.000 1.107 2 S CB 0.000 63.228 63.200 0.046 0.000 0.593 3 L N 3.572 124.752 121.223 -0.072 0.000 2.361 3 L HA 0.576 4.916 4.340 -0.000 0.000 0.278 3 L C -0.682 175.946 176.870 -0.403 0.000 1.113 3 L CA 0.542 55.283 54.840 -0.165 0.000 0.849 3 L CB 0.381 42.404 42.059 -0.060 0.000 1.155 3 L HN 0.772 nan 8.230 nan 0.000 0.452 4 K N 5.296 125.180 120.400 -0.861 0.000 2.259 4 K HA 0.471 4.791 4.320 -0.000 0.000 0.249 4 K C -0.707 175.630 176.600 -0.438 0.000 0.942 4 K CA -0.694 55.066 56.287 -0.878 0.000 0.816 4 K CB 2.247 33.699 32.500 -1.747 0.000 1.155 4 K HN 0.518 nan 8.250 nan 0.000 0.428 5 K N 1.496 121.777 120.400 -0.199 0.000 2.235 5 K HA 0.430 4.750 4.320 -0.000 0.000 0.266 5 K C -0.591 176.094 176.600 0.141 0.000 0.980 5 K CA -0.781 55.511 56.287 0.010 0.000 0.849 5 K CB 1.677 34.202 32.500 0.041 0.000 1.098 5 K HN 0.171 nan 8.250 nan 0.000 0.445 6 V N 3.284 123.312 119.914 0.189 0.000 2.495 6 V HA 0.364 4.484 4.120 -0.000 0.000 0.298 6 V C -0.385 175.768 176.094 0.099 0.000 1.031 6 V CA -0.952 61.476 62.300 0.213 0.000 0.871 6 V CB 1.774 33.728 31.823 0.219 0.000 0.988 6 V HN 0.440 nan 8.190 nan 0.000 0.432 7 V N 6.151 126.101 119.914 0.060 0.000 2.487 7 V HA 0.545 4.665 4.120 -0.000 0.000 0.298 7 V C -0.427 175.581 176.094 -0.143 0.000 1.028 7 V CA -0.382 61.895 62.300 -0.037 0.000 0.860 7 V CB 1.929 33.769 31.823 0.028 0.000 0.991 7 V HN 0.718 nan 8.190 nan 0.000 0.427 8 I N 5.653 126.137 120.570 -0.142 0.000 2.382 8 I HA 0.443 4.613 4.170 -0.000 0.000 0.285 8 I C -0.218 175.850 176.117 -0.081 0.000 1.007 8 I CA -0.334 60.883 61.300 -0.138 0.000 1.142 8 I CB 1.831 39.759 38.000 -0.120 0.000 1.289 8 I HN 0.491 nan 8.210 nan 0.000 0.453 9 I N 6.505 127.029 120.570 -0.077 0.000 2.213 9 I HA 0.297 4.467 4.170 -0.000 0.000 0.295 9 I C 0.938 177.085 176.117 0.049 0.000 1.172 9 I CA 0.222 61.536 61.300 0.024 0.000 1.443 9 I CB -0.187 37.811 38.000 -0.004 0.000 1.491 9 I HN 0.846 nan 8.210 nan 0.000 0.652 10 G N 1.533 110.354 108.800 0.035 0.000 3.064 10 G HA2 0.432 4.392 3.960 -0.000 0.000 0.151 10 G HA3 0.432 4.392 3.960 -0.000 0.000 0.151 10 G C 0.839 175.764 174.900 0.042 0.000 1.489 10 G CA 0.448 45.574 45.100 0.045 0.000 1.066 10 G HN 0.487 nan 8.290 nan 0.000 0.740 11 G N -0.331 108.478 108.800 0.015 0.000 2.199 11 G HA2 0.136 4.096 3.960 -0.000 0.000 0.254 11 G HA3 0.136 4.096 3.960 -0.000 0.000 0.254 11 G C 0.968 175.893 174.900 0.042 0.000 0.982 11 G CA 1.036 46.149 45.100 0.022 0.000 0.632 11 G HN 1.651 nan 8.290 nan 0.000 0.529 12 G N -0.809 108.018 108.800 0.045 0.000 2.510 12 G HA2 0.679 4.639 3.960 -0.000 0.000 0.280 12 G HA3 0.679 4.639 3.960 -0.000 0.000 0.280 12 G C 1.461 176.376 174.900 0.024 0.000 1.386 12 G CA 1.102 46.230 45.100 0.046 0.000 1.047 12 G HN 1.239 nan 8.290 nan 0.000 0.527 13 A N -0.468 122.362 122.820 0.016 0.000 1.884 13 A HA 0.007 4.327 4.320 -0.000 0.000 0.219 13 A C 2.775 180.356 177.584 -0.004 0.000 1.197 13 A CA 3.240 55.277 52.037 0.000 0.000 0.637 13 A CB -1.150 17.843 19.000 -0.011 0.000 0.827 13 A HN 1.364 nan 8.150 nan 0.000 0.450 14 A N -0.856 121.963 122.820 -0.003 0.000 1.877 14 A HA 0.147 4.467 4.320 -0.000 0.000 0.216 14 A C 2.496 180.073 177.584 -0.011 0.000 1.186 14 A CA 2.029 54.059 52.037 -0.011 0.000 0.620 14 A CB -1.518 17.479 19.000 -0.005 0.000 0.822 14 A HN 0.854 nan 8.150 nan 0.000 0.443 15 G N -0.884 107.914 108.800 -0.003 0.000 2.440 15 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.218 15 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.218 15 G C 1.517 176.398 174.900 -0.031 0.000 1.154 15 G CA 1.366 46.456 45.100 -0.018 0.000 0.767 15 G HN 0.338 nan 8.290 nan 0.000 0.552 16 M N 1.015 120.604 119.600 -0.018 0.000 2.175 16 M HA 0.026 4.506 4.480 -0.000 0.000 0.264 16 M C 2.769 179.058 176.300 -0.019 0.000 1.063 16 M CA 0.917 56.204 55.300 -0.021 0.000 1.119 16 M CB -0.963 31.633 32.600 -0.008 0.000 1.377 16 M HN 0.181 nan 8.290 nan 0.000 0.415 17 S N 0.878 116.573 115.700 -0.008 0.000 2.368 17 S HA -0.044 4.426 4.470 -0.000 0.000 0.224 17 S C 2.083 176.674 174.600 -0.015 0.000 1.029 17 S CA 1.255 59.464 58.200 0.015 0.000 0.988 17 S CB -0.257 62.965 63.200 0.037 0.000 0.838 17 S HN 0.550 nan 8.310 nan 0.000 0.462 18 A N 1.848 124.641 122.820 -0.046 0.000 1.845 18 A HA 0.112 4.432 4.320 -0.000 0.000 0.215 18 A C 2.397 179.913 177.584 -0.113 0.000 1.195 18 A CA 1.768 53.746 52.037 -0.097 0.000 0.616 18 A CB -1.377 17.566 19.000 -0.095 0.000 0.832 18 A HN 0.505 nan 8.150 nan 0.000 0.443 19 A N -0.663 122.105 122.820 -0.087 0.000 1.884 19 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 19 A C 2.538 180.072 177.584 -0.084 0.000 1.197 19 A CA 2.704 54.691 52.037 -0.085 0.000 0.637 19 A CB -1.268 17.686 19.000 -0.076 0.000 0.827 19 A HN 0.637 nan 8.150 nan 0.000 0.450 20 S N -1.217 114.443 115.700 -0.066 0.000 2.382 20 S HA -0.210 4.260 4.470 -0.000 0.000 0.228 20 S C 2.217 176.762 174.600 -0.090 0.000 1.027 20 S CA 1.832 59.997 58.200 -0.059 0.000 0.991 20 S CB -0.347 62.837 63.200 -0.027 0.000 0.823 20 S HN 0.550 nan 8.310 nan 0.000 0.469 21 R N 0.821 121.246 120.500 -0.125 0.000 2.092 21 R HA 0.101 4.441 4.340 -0.000 0.000 0.231 21 R C 2.101 178.244 176.300 -0.262 0.000 1.119 21 R CA 1.701 57.667 56.100 -0.223 0.000 0.970 21 R CB -1.180 28.901 30.300 -0.365 0.000 0.864 21 R HN 0.350 nan 8.270 nan 0.000 0.440 22 V N 0.269 120.037 119.914 -0.243 0.000 3.129 22 V HA -0.012 4.108 4.120 -0.000 0.000 0.259 22 V C 1.750 177.688 176.094 -0.261 0.000 1.116 22 V CA 1.521 63.648 62.300 -0.287 0.000 1.127 22 V CB -0.141 31.540 31.823 -0.236 0.000 0.742 22 V HN 0.251 nan 8.190 nan 0.000 0.474 23 K N 0.768 121.065 120.400 -0.170 0.000 2.116 23 K HA -0.032 4.288 4.320 -0.000 0.000 0.203 23 K C 2.323 178.837 176.600 -0.143 0.000 1.052 23 K CA 1.340 57.550 56.287 -0.128 0.000 0.952 23 K CB -0.478 31.978 32.500 -0.073 0.000 0.729 23 K HN 0.357 nan 8.250 nan 0.000 0.446 24 R N 0.122 120.538 120.500 -0.140 0.000 2.148 24 R HA 0.008 4.348 4.340 -0.000 0.000 0.223 24 R C 1.826 178.028 176.300 -0.163 0.000 1.088 24 R CA 0.992 57.019 56.100 -0.122 0.000 0.985 24 R CB -0.071 30.174 30.300 -0.092 0.000 0.880 24 R HN 0.249 nan 8.270 nan 0.000 0.451 25 L N 0.047 121.130 121.223 -0.233 0.000 2.249 25 L HA 0.040 4.380 4.340 -0.000 0.000 0.207 25 L C 0.551 177.199 176.870 -0.371 0.000 1.090 25 L CA 0.846 55.517 54.840 -0.282 0.000 0.802 25 L CB 0.209 42.071 42.059 -0.328 0.000 0.947 25 L HN -0.115 nan 8.230 nan 0.000 0.453 26 K N -0.434 119.685 120.400 -0.468 0.000 2.753 26 K HA 0.261 4.581 4.320 -0.000 0.000 0.185 26 K C -2.100 174.297 176.600 -0.339 0.000 1.071 26 K CA -1.475 54.427 56.287 -0.641 0.000 0.999 26 K CB 1.192 32.743 32.500 -1.581 0.000 1.244 26 K HN -0.184 nan 8.250 nan 0.000 0.594 27 P HA -0.142 nan 4.420 nan 0.000 0.219 27 P C 1.030 178.344 177.300 0.023 0.000 1.146 27 P CA 0.933 63.997 63.100 -0.061 0.000 0.808 27 P CB 0.496 32.166 31.700 -0.049 0.000 0.779 28 E N -1.860 118.378 120.200 0.063 0.000 2.427 28 E HA -0.085 4.265 4.350 -0.000 0.000 0.196 28 E C 0.068 176.865 176.600 0.328 0.000 1.028 28 E CA 0.311 56.817 56.400 0.176 0.000 0.864 28 E CB -0.001 29.814 29.700 0.193 0.000 0.813 28 E HN 0.213 nan 8.360 nan 0.000 0.514 29 W N 1.139 122.444 121.300 0.009 0.000 2.183 29 W HA 0.152 4.812 4.660 -0.000 0.000 0.348 29 W C 0.239 176.768 176.519 0.017 0.000 1.257 29 W CA -0.961 56.397 57.345 0.021 0.000 1.324 29 W CB 0.044 29.517 29.460 0.022 0.000 1.144 29 W HN -0.140 nan 8.180 nan 0.000 0.622 30 D N 0.715 121.262 120.400 0.244 0.000 2.373 30 D HA 0.385 5.025 4.640 -0.000 0.000 0.227 30 D C -1.350 175.029 176.300 0.133 0.000 1.091 30 D CA -0.169 53.917 54.000 0.144 0.000 0.840 30 D CB 0.731 41.592 40.800 0.101 0.000 1.060 30 D HN -0.008 nan 8.370 nan 0.000 0.502 31 V N 5.174 125.139 119.914 0.084 0.000 2.357 31 V HA 0.393 4.513 4.120 -0.000 0.000 0.284 31 V C 0.239 176.290 176.094 -0.072 0.000 1.018 31 V CA -0.724 61.593 62.300 0.028 0.000 0.841 31 V CB 1.260 33.093 31.823 0.016 0.000 0.991 31 V HN 0.434 nan 8.190 nan 0.000 0.437 32 K N 3.398 123.698 120.400 -0.166 0.000 2.267 32 K HA 0.860 5.180 4.320 -0.000 0.000 0.246 32 K C -1.458 174.823 176.600 -0.532 0.000 0.954 32 K CA -0.867 55.171 56.287 -0.415 0.000 0.824 32 K CB 2.806 34.927 32.500 -0.632 0.000 1.167 32 K HN 0.397 nan 8.250 nan 0.000 0.431 33 V N 3.045 122.553 119.914 -0.676 0.000 2.569 33 V HA 0.371 4.491 4.120 -0.000 0.000 0.301 33 V C -1.379 174.315 176.094 -0.666 0.000 1.044 33 V CA -0.865 61.125 62.300 -0.517 0.000 0.874 33 V CB 1.015 32.699 31.823 -0.232 0.000 1.002 33 V HN 0.565 nan 8.190 nan 0.000 0.424 34 F N 2.893 122.759 119.950 -0.141 0.000 2.361 34 F HA 0.583 5.110 4.527 -0.000 0.000 0.364 34 F C 0.461 176.239 175.800 -0.037 0.000 1.117 34 F CA -0.564 57.372 58.000 -0.107 0.000 1.071 34 F CB 1.331 40.232 39.000 -0.166 0.000 1.188 34 F HN 0.342 nan 8.300 nan 0.000 0.464 35 E N 2.000 122.278 120.200 0.130 0.000 2.145 35 E HA 0.494 4.844 4.350 -0.000 0.000 0.270 35 E C 0.497 177.167 176.600 0.116 0.000 0.906 35 E CA -0.398 56.066 56.400 0.105 0.000 0.761 35 E CB 1.887 31.633 29.700 0.076 0.000 1.116 35 E HN 0.669 nan 8.360 nan 0.000 0.408 36 A N 3.510 126.398 122.820 0.113 0.000 2.125 36 A HA -0.047 4.273 4.320 -0.000 0.000 0.219 36 A C 1.285 178.917 177.584 0.079 0.000 1.156 36 A CA 1.176 53.271 52.037 0.096 0.000 0.671 36 A CB 0.099 19.156 19.000 0.094 0.000 0.794 36 A HN 0.481 nan 8.150 nan 0.000 0.459 37 T N -1.551 113.057 114.554 0.090 0.000 2.870 37 T HA 0.364 4.714 4.350 -0.000 0.000 0.277 37 T C 1.028 175.670 174.700 -0.097 0.000 1.000 37 T CA 0.130 62.259 62.100 0.048 0.000 0.982 37 T CB 1.130 70.155 68.868 0.262 0.000 1.249 37 T HN 0.494 nan 8.240 nan 0.000 0.589 38 E N -0.374 119.578 120.200 -0.412 0.000 2.474 38 E HA 0.067 4.417 4.350 -0.000 0.000 0.194 38 E C -0.137 176.150 176.600 -0.523 0.000 1.041 38 E CA -0.078 55.987 56.400 -0.558 0.000 0.874 38 E CB 0.295 29.493 29.700 -0.837 0.000 0.914 38 E HN 0.417 nan 8.360 nan 0.000 0.498 39 W N 0.989 122.303 121.300 0.024 0.000 2.509 39 W HA 0.603 5.263 4.660 -0.000 0.000 0.351 39 W C -0.263 176.264 176.519 0.013 0.000 1.107 39 W CA -0.903 56.452 57.345 0.016 0.000 1.264 39 W CB 1.483 30.952 29.460 0.015 0.000 1.312 39 W HN -0.250 nan 8.180 nan 0.000 0.608 40 V N 0.854 120.914 119.914 0.244 0.000 3.147 40 V HA 0.371 4.491 4.120 -0.000 0.000 0.306 40 V C 0.009 176.164 176.094 0.102 0.000 1.209 40 V CA -0.815 61.564 62.300 0.131 0.000 1.023 40 V CB 1.584 33.451 31.823 0.072 0.000 1.059 40 V HN 0.810 nan 8.190 nan 0.000 0.435 67 V N 0.676 120.578 119.914 -0.019 0.000 3.494 67 V HA 0.322 4.442 4.120 -0.000 0.000 0.272 67 V C 2.123 178.207 176.094 -0.016 0.000 1.233 67 V CA 2.552 64.839 62.300 -0.022 0.000 1.205 67 V CB -1.936 29.869 31.823 -0.031 0.000 0.958 67 V HN 1.754 nan 8.190 nan 0.000 0.495 68 F N -0.255 119.688 119.950 -0.011 0.000 2.451 68 F HA 0.041 4.568 4.527 -0.000 0.000 0.299 68 F C 2.353 178.147 175.800 -0.010 0.000 1.101 68 F CA 2.042 60.037 58.000 -0.009 0.000 1.436 68 F CB -0.953 38.044 39.000 -0.006 0.000 1.074 68 F HN 0.580 nan 8.300 nan 0.000 0.553 69 I N 0.690 121.253 120.570 -0.012 0.000 2.394 69 I HA 0.038 4.208 4.170 -0.000 0.000 0.251 69 I C 2.467 178.574 176.117 -0.016 0.000 1.136 69 I CA 2.477 63.768 61.300 -0.014 0.000 1.425 69 I CB -2.108 35.882 38.000 -0.017 0.000 1.079 69 I HN 0.527 nan 8.210 nan 0.000 0.425 70 K N 0.949 121.340 120.400 -0.016 0.000 2.360 70 K HA -0.069 4.251 4.320 -0.000 0.000 0.201 70 K C 2.403 178.997 176.600 -0.009 0.000 1.046 70 K CA 2.064 58.343 56.287 -0.014 0.000 0.945 70 K CB -1.511 30.978 32.500 -0.018 0.000 0.750 70 K HN 0.945 nan 8.250 nan 0.000 0.464 71 K N 0.097 120.491 120.400 -0.010 0.000 2.076 71 K HA 0.095 4.415 4.320 -0.000 0.000 0.204 71 K C 2.598 179.194 176.600 -0.008 0.000 1.051 71 K CA 1.390 57.673 56.287 -0.007 0.000 0.949 71 K CB -1.205 31.291 32.500 -0.007 0.000 0.726 71 K HN 0.666 nan 8.250 nan 0.000 0.443 72 R N 0.131 120.624 120.500 -0.011 0.000 2.377 72 R HA 0.248 4.588 4.340 -0.000 0.000 0.207 72 R C 2.087 178.378 176.300 -0.015 0.000 1.075 72 R CA 1.553 57.645 56.100 -0.014 0.000 1.035 72 R CB -1.456 28.834 30.300 -0.017 0.000 0.857 72 R HN 1.628 nan 8.270 nan 0.000 0.475 73 G N -1.201 107.593 108.800 -0.010 0.000 2.179 73 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.220 73 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.220 73 G C 0.138 175.035 174.900 -0.005 0.000 0.990 73 G CA 0.030 45.127 45.100 -0.004 0.000 0.646 73 G HN 0.497 nan 8.290 nan 0.000 0.517 74 I N 1.754 122.315 120.570 -0.016 0.000 2.312 74 I HA 0.275 4.445 4.170 -0.000 0.000 0.290 74 I C -0.171 175.931 176.117 -0.025 0.000 1.008 74 I CA -0.665 60.618 61.300 -0.027 0.000 1.226 74 I CB 1.407 39.382 38.000 -0.041 0.000 1.371 74 I HN 0.071 nan 8.210 nan 0.000 0.468 75 D N 7.494 127.880 120.400 -0.024 0.000 2.416 75 D HA 0.168 4.808 4.640 -0.000 0.000 0.240 75 D C -0.716 175.584 176.300 -0.002 0.000 1.250 75 D CA -0.296 53.712 54.000 0.012 0.000 0.967 75 D CB 0.429 41.259 40.800 0.050 0.000 1.059 75 D HN 0.242 nan 8.370 nan 0.000 0.512 76 L N 4.953 126.181 121.223 0.008 0.000 2.276 76 L HA 0.378 4.718 4.340 -0.000 0.000 0.286 76 L C -0.964 175.949 176.870 0.071 0.000 1.061 76 L CA -0.300 54.532 54.840 -0.012 0.000 0.807 76 L CB 1.070 43.109 42.059 -0.033 0.000 1.177 76 L HN 0.385 nan 8.230 nan 0.000 0.429 77 H N 6.528 125.482 119.070 -0.194 0.000 2.638 77 H HA 0.348 4.904 4.556 -0.000 0.000 0.303 77 H C -0.735 174.586 175.328 -0.011 0.000 1.034 77 H CA -0.842 55.165 56.048 -0.069 0.000 1.225 77 H CB 1.051 30.816 29.762 0.006 0.000 1.394 77 H HN 0.538 nan 8.280 nan 0.000 0.477 78 L N 2.778 124.035 121.223 0.058 0.000 2.418 78 L HA 0.079 4.419 4.340 -0.000 0.000 0.265 78 L C 0.630 177.523 176.870 0.038 0.000 1.143 78 L CA -0.272 54.583 54.840 0.025 0.000 0.809 78 L CB 0.335 42.371 42.059 -0.039 0.000 1.124 78 L HN 0.780 nan 8.230 nan 0.000 0.456 79 N N 0.519 119.232 118.700 0.021 0.000 2.735 79 N HA -0.181 4.559 4.740 -0.000 0.000 0.248 79 N C -0.619 174.937 175.510 0.076 0.000 1.083 79 N CA 0.768 53.831 53.050 0.021 0.000 0.703 79 N CB -0.858 37.616 38.487 -0.022 0.000 1.005 79 N HN 0.706 nan 8.380 nan 0.000 0.550 80 A N 0.366 123.268 122.820 0.136 0.000 2.399 80 A HA 0.442 4.762 4.320 -0.000 0.000 0.327 80 A C 0.127 177.785 177.584 0.122 0.000 1.367 80 A CA -0.497 51.651 52.037 0.184 0.000 0.842 80 A CB 0.605 19.847 19.000 0.404 0.000 1.142 80 A HN 0.346 nan 8.150 nan 0.000 0.495 81 E N 1.647 121.879 120.200 0.054 0.000 2.349 81 E HA 0.505 4.855 4.350 -0.000 0.000 0.262 81 E C -1.060 175.511 176.600 -0.049 0.000 1.088 81 E CA -0.381 56.034 56.400 0.024 0.000 0.899 81 E CB 1.145 30.862 29.700 0.029 0.000 1.044 81 E HN 0.343 nan 8.360 nan 0.000 0.420 82 V N 5.426 125.311 119.914 -0.047 0.000 2.357 82 V HA 0.284 4.404 4.120 -0.000 0.000 0.284 82 V C -0.303 175.760 176.094 -0.052 0.000 1.018 82 V CA -0.752 61.486 62.300 -0.103 0.000 0.841 82 V CB 0.965 32.725 31.823 -0.106 0.000 0.991 82 V HN 0.487 nan 8.190 nan 0.000 0.437 83 I N 2.246 122.775 120.570 -0.068 0.000 2.562 83 I HA 0.550 4.720 4.170 -0.000 0.000 0.301 83 I C 0.312 176.394 176.117 -0.058 0.000 1.003 83 I CA -1.024 60.254 61.300 -0.037 0.000 1.127 83 I CB 1.157 39.141 38.000 -0.026 0.000 1.304 83 I HN 0.746 nan 8.210 nan 0.000 0.446 84 E N 1.446 121.632 120.200 -0.023 0.000 7.315 84 E HA -0.168 4.182 4.350 -0.000 0.000 0.457 84 E C -1.733 174.832 176.600 -0.059 0.000 0.326 84 E CA 0.570 56.958 56.400 -0.020 0.000 0.669 84 E CB 0.381 30.065 29.700 -0.027 0.000 0.936 84 E HN 0.532 nan 8.360 nan 0.000 0.352 85 V N 2.590 122.520 119.914 0.026 0.000 2.610 85 V HA 0.623 4.743 4.120 -0.000 0.000 0.298 85 V C -0.419 175.798 176.094 0.205 0.000 1.067 85 V CA 0.695 63.035 62.300 0.067 0.000 0.894 85 V CB 1.443 33.327 31.823 0.101 0.000 1.015 85 V HN 0.752 nan 8.190 nan 0.000 0.432 86 D N 2.509 123.098 120.400 0.316 0.000 2.525 86 D HA 0.642 5.282 4.640 -0.000 0.000 0.249 86 D C 0.193 176.765 176.300 0.454 0.000 1.072 86 D CA -0.066 54.165 54.000 0.385 0.000 1.067 86 D CB 1.539 42.610 40.800 0.452 0.000 1.282 86 D HN 0.703 nan 8.370 nan 0.000 0.587 87 T N 0.333 115.056 114.554 0.283 0.000 3.058 87 T HA 0.469 4.819 4.350 -0.000 0.000 0.249 87 T C 1.404 175.989 174.700 -0.191 0.000 0.949 87 T CA 1.218 63.402 62.100 0.140 0.000 1.204 87 T CB -0.417 68.482 68.868 0.051 0.000 0.963 87 T HN 1.506 nan 8.240 nan 0.000 0.634 88 G N 2.546 110.933 108.800 -0.688 0.000 2.481 88 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.200 88 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.200 88 G C -0.168 174.369 174.900 -0.604 0.000 1.012 88 G CA -0.126 44.401 45.100 -0.954 0.000 0.676 88 G HN 0.810 nan 8.290 nan 0.000 0.488 89 Y N -0.841 119.341 120.300 -0.196 0.000 2.634 89 Y HA 0.836 5.386 4.550 -0.000 0.000 0.340 89 Y C -1.100 175.003 175.900 0.338 0.000 1.058 89 Y CA -1.208 56.945 58.100 0.089 0.000 1.081 89 Y CB 2.321 40.791 38.460 0.016 0.000 1.295 89 Y HN 0.708 nan 8.280 nan 0.000 0.487 90 V N 2.517 122.370 119.914 -0.102 0.000 2.932 90 V HA 0.554 4.674 4.120 -0.000 0.000 0.307 90 V C -1.546 174.301 176.094 -0.412 0.000 1.147 90 V CA -0.869 61.262 62.300 -0.282 0.000 0.951 90 V CB 2.186 33.978 31.823 -0.052 0.000 1.031 90 V HN 0.958 nan 8.190 nan 0.000 0.426 91 R N 3.613 123.853 120.500 -0.432 0.000 2.265 91 R HA 0.711 5.051 4.340 -0.000 0.000 0.328 91 R C -1.206 174.973 176.300 -0.202 0.000 0.969 91 R CA -0.272 55.661 56.100 -0.277 0.000 0.832 91 R CB 1.703 31.856 30.300 -0.244 0.000 1.139 91 R HN 0.689 nan 8.270 nan 0.000 0.457 92 V N 3.707 123.524 119.914 -0.161 0.000 2.604 92 V HA 0.566 4.686 4.120 -0.000 0.000 0.305 92 V C -0.973 175.094 176.094 -0.045 0.000 1.043 92 V CA -1.028 61.157 62.300 -0.192 0.000 0.888 92 V CB 1.860 33.360 31.823 -0.538 0.000 0.995 92 V HN 0.722 nan 8.190 nan 0.000 0.429 93 R N 4.119 124.602 120.500 -0.029 0.000 2.230 93 R HA 0.507 4.847 4.340 -0.000 0.000 0.337 93 R C -0.351 175.979 176.300 0.050 0.000 1.063 93 R CA -0.004 56.105 56.100 0.016 0.000 0.935 93 R CB 0.468 30.773 30.300 0.009 0.000 1.121 93 R HN 0.952 nan 8.270 nan 0.000 0.486 94 E N 3.162 123.412 120.200 0.084 0.000 2.248 94 E HA 0.207 4.557 4.350 -0.000 0.000 0.267 94 E C -0.918 175.727 176.600 0.075 0.000 0.877 94 E CA -0.731 55.731 56.400 0.104 0.000 0.759 94 E CB 0.918 30.731 29.700 0.189 0.000 1.182 94 E HN 0.741 nan 8.360 nan 0.000 0.418 95 N N 3.131 121.863 118.700 0.052 0.000 2.667 95 N HA -0.290 4.450 4.740 -0.000 0.000 0.263 95 N C 0.657 176.186 175.510 0.031 0.000 1.038 95 N CA 0.566 53.637 53.050 0.034 0.000 0.749 95 N CB -0.854 37.653 38.487 0.032 0.000 0.892 95 N HN 0.956 nan 8.380 nan 0.000 0.546 96 G N -1.635 107.182 108.800 0.028 0.000 2.530 96 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.247 96 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.247 96 G C 0.655 175.570 174.900 0.025 0.000 1.067 96 G CA 0.659 45.773 45.100 0.024 0.000 0.650 96 G HN 0.867 nan 8.290 nan 0.000 0.531 97 G N -0.493 108.326 108.800 0.031 0.000 2.557 97 G HA2 0.544 4.504 3.960 -0.000 0.000 0.292 97 G HA3 0.544 4.504 3.960 -0.000 0.000 0.292 97 G C -0.466 174.454 174.900 0.034 0.000 1.237 97 G CA 0.494 45.612 45.100 0.031 0.000 0.978 97 G HN 0.560 nan 8.290 nan 0.000 0.498 98 E N -1.220 118.995 120.200 0.025 0.000 2.292 98 E HA 0.593 4.942 4.350 -0.000 0.000 0.272 98 E C -0.625 175.977 176.600 0.004 0.000 0.881 98 E CA -0.660 55.751 56.400 0.018 0.000 0.754 98 E CB 1.756 31.462 29.700 0.009 0.000 1.201 98 E HN 0.717 nan 8.360 nan 0.000 0.425 99 K N 0.567 120.962 120.400 -0.007 0.000 2.522 99 K HA 0.647 4.967 4.320 -0.000 0.000 0.275 99 K C -0.809 175.714 176.600 -0.127 0.000 1.006 99 K CA -0.318 55.914 56.287 -0.090 0.000 0.890 99 K CB 1.573 33.977 32.500 -0.160 0.000 1.475 99 K HN 0.593 nan 8.250 nan 0.000 0.441 100 S N -0.282 115.289 115.700 -0.215 0.000 2.542 100 S HA 0.881 5.351 4.470 -0.000 0.000 0.293 100 S C -0.995 173.468 174.600 -0.230 0.000 1.089 100 S CA -0.607 57.531 58.200 -0.103 0.000 0.961 100 S CB 0.661 63.944 63.200 0.140 0.000 1.062 100 S HN 0.646 nan 8.310 nan 0.000 0.483 101 Y N 0.074 120.398 120.300 0.040 0.000 2.512 101 Y HA 0.501 5.051 4.550 -0.000 0.000 0.348 101 Y C 0.288 176.291 175.900 0.172 0.000 0.990 101 Y CA -0.964 57.203 58.100 0.112 0.000 1.033 101 Y CB 1.719 40.266 38.460 0.144 0.000 1.259 101 Y HN 0.676 nan 8.280 nan 0.000 0.461 102 E N 3.509 123.883 120.200 0.291 0.000 2.266 102 E HA 0.213 4.563 4.350 -0.000 0.000 0.277 102 E C -1.247 175.484 176.600 0.219 0.000 1.018 102 E CA -0.616 55.886 56.400 0.170 0.000 0.840 102 E CB 1.211 30.940 29.700 0.048 0.000 1.082 102 E HN 0.570 nan 8.360 nan 0.000 0.395 103 W N 3.022 124.353 121.300 0.051 0.000 3.022 103 W HA 0.395 5.055 4.660 -0.000 0.000 0.335 103 W C -0.873 175.599 176.519 -0.079 0.000 1.133 103 W CA -0.733 56.612 57.345 0.001 0.000 1.219 103 W CB 0.713 30.185 29.460 0.019 0.000 1.409 103 W HN 0.457 nan 8.180 nan 0.000 0.507 104 D N 0.840 121.279 120.400 0.064 0.000 2.379 104 D HA 0.021 4.661 4.640 -0.000 0.000 0.218 104 D C -0.640 175.579 176.300 -0.135 0.000 1.006 104 D CA 1.115 54.946 54.000 -0.282 0.000 0.893 104 D CB 0.755 41.245 40.800 -0.517 0.000 1.019 104 D HN 0.127 nan 8.370 nan 0.000 0.503 105 Y N 0.463 121.056 120.300 0.487 0.000 2.391 105 Y HA 0.454 5.004 4.550 -0.000 0.000 0.341 105 Y C -0.462 175.512 175.900 0.123 0.000 0.965 105 Y CA -0.990 57.320 58.100 0.351 0.000 1.067 105 Y CB 1.905 40.449 38.460 0.140 0.000 1.199 105 Y HN -0.234 nan 8.280 nan 0.000 0.450 106 L N 3.596 124.755 121.223 -0.106 0.000 2.362 106 L HA 0.902 5.242 4.340 -0.000 0.000 0.271 106 L C -1.407 175.259 176.870 -0.341 0.000 1.002 106 L CA -0.835 53.631 54.840 -0.623 0.000 0.818 106 L CB 1.993 43.113 42.059 -1.565 0.000 1.298 106 L HN 0.396 nan 8.230 nan 0.000 0.420 107 V N 4.563 124.250 119.914 -0.379 0.000 2.482 107 V HA 0.379 4.499 4.120 -0.000 0.000 0.295 107 V C -0.810 175.127 176.094 -0.262 0.000 1.026 107 V CA -0.459 61.719 62.300 -0.203 0.000 0.856 107 V CB 1.237 32.994 31.823 -0.110 0.000 1.001 107 V HN 0.488 nan 8.190 nan 0.000 0.424 108 F N 3.400 123.338 119.950 -0.020 0.000 2.438 108 F HA 0.595 5.122 4.527 -0.000 0.000 0.360 108 F C 0.869 176.674 175.800 0.008 0.000 1.118 108 F CA -0.190 57.801 58.000 -0.014 0.000 1.164 108 F CB 1.464 40.460 39.000 -0.007 0.000 1.131 108 F HN 0.591 nan 8.300 nan 0.000 0.527 109 A N 2.627 125.543 122.820 0.160 0.000 2.568 109 A HA 0.166 4.486 4.320 -0.000 0.000 0.287 109 A C 0.653 178.303 177.584 0.110 0.000 0.967 109 A CA -0.514 51.589 52.037 0.109 0.000 1.004 109 A CB -0.890 18.139 19.000 0.049 0.000 1.233 109 A HN 0.703 nan 8.150 nan 0.000 0.513 110 N N 0.256 119.043 118.700 0.145 0.000 2.471 110 N HA 0.339 5.079 4.740 -0.000 0.000 0.205 110 N C 1.063 176.641 175.510 0.113 0.000 1.251 110 N CA 0.658 53.784 53.050 0.126 0.000 0.843 110 N CB -0.251 38.322 38.487 0.142 0.000 1.044 110 N HN 0.625 nan 8.380 nan 0.000 0.461 111 G N -0.105 108.764 108.800 0.115 0.000 2.578 111 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.313 111 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.313 111 G C -0.184 174.804 174.900 0.148 0.000 1.324 111 G CA 0.386 45.562 45.100 0.126 0.000 0.955 111 G HN 0.914 nan 8.290 nan 0.000 0.541 112 A N -1.585 121.334 122.820 0.165 0.000 2.423 112 A HA 0.878 5.198 4.320 -0.000 0.000 0.304 112 A C -0.030 177.639 177.584 0.142 0.000 1.104 112 A CA 0.696 52.851 52.037 0.196 0.000 0.757 112 A CB 1.894 21.108 19.000 0.357 0.000 1.313 112 A HN 1.607 nan 8.150 nan 0.000 0.423 113 S N 0.715 116.492 115.700 0.128 0.000 2.600 113 S HA 0.729 5.199 4.470 -0.000 0.000 0.300 113 S C -2.809 171.852 174.600 0.102 0.000 1.087 113 S CA -1.073 57.186 58.200 0.100 0.000 0.965 113 S CB 1.642 64.891 63.200 0.081 0.000 1.089 113 S HN 0.536 nan 8.310 nan 0.000 0.496 114 P HA 0.105 nan 4.420 nan 0.000 0.266 114 P C -1.106 176.238 177.300 0.073 0.000 1.195 114 P CA -0.048 63.099 63.100 0.079 0.000 0.768 114 P CB 0.281 32.020 31.700 0.065 0.000 0.838 115 Q N 2.474 122.319 119.800 0.074 0.000 2.372 115 Q HA 0.368 4.708 4.340 -0.000 0.000 0.259 115 Q C -0.530 175.499 176.000 0.048 0.000 0.993 115 Q CA -0.933 54.907 55.803 0.060 0.000 0.854 115 Q CB 0.795 29.573 28.738 0.067 0.000 1.231 115 Q HN 0.361 nan 8.270 nan 0.000 0.462 116 V N 2.794 122.730 119.914 0.038 0.000 2.637 116 V HA 0.481 4.601 4.120 -0.000 0.000 0.296 116 V C -2.345 173.763 176.094 0.024 0.000 1.046 116 V CA -1.270 61.048 62.300 0.029 0.000 1.066 116 V CB 0.236 32.073 31.823 0.023 0.000 0.968 116 V HN 0.688 nan 8.190 nan 0.000 0.483 117 P HA 0.466 nan 4.420 nan 0.000 0.274 117 P C -0.660 176.647 177.300 0.012 0.000 1.256 117 P CA -0.320 62.790 63.100 0.016 0.000 0.795 117 P CB 0.570 32.278 31.700 0.013 0.000 1.038 118 A N 2.076 124.902 122.820 0.010 0.000 2.582 118 A HA 0.604 4.924 4.320 -0.000 0.000 0.336 118 A C -0.046 177.542 177.584 0.006 0.000 1.445 118 A CA -0.331 51.711 52.037 0.008 0.000 0.997 118 A CB -1.084 17.920 19.000 0.007 0.000 1.148 118 A HN 0.510 nan 8.150 nan 0.000 0.514 119 I N -1.466 119.107 120.570 0.005 0.000 2.775 119 I HA 0.436 4.606 4.170 -0.000 0.000 0.295 119 I C -0.186 175.932 176.117 0.002 0.000 1.287 119 I CA -0.888 60.414 61.300 0.004 0.000 1.029 119 I CB 1.656 39.660 38.000 0.006 0.000 1.282 119 I HN 0.506 nan 8.210 nan 0.000 0.426 120 E N 3.538 123.739 120.200 0.002 0.000 2.568 120 E HA 0.144 4.494 4.350 -0.000 0.000 0.262 120 E C 0.760 177.358 176.600 -0.005 0.000 0.961 120 E CA 1.243 57.643 56.400 -0.001 0.000 0.945 120 E CB 0.438 30.138 29.700 0.000 0.000 0.924 120 E HN 1.159 nan 8.360 nan 0.000 0.467 121 G N 3.202 111.997 108.800 -0.008 0.000 2.342 121 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.267 121 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.267 121 G C 0.443 175.331 174.900 -0.020 0.000 0.922 121 G CA 0.199 45.291 45.100 -0.014 0.000 1.342 121 G HN 0.426 nan 8.290 nan 0.000 0.430 122 V N 0.450 120.352 119.914 -0.021 0.000 3.174 122 V HA 0.025 4.145 4.120 -0.000 0.000 0.254 122 V C 1.853 177.920 176.094 -0.045 0.000 1.120 122 V CA 1.714 63.999 62.300 -0.026 0.000 1.114 122 V CB -0.010 31.805 31.823 -0.013 0.000 0.756 122 V HN 0.538 nan 8.190 nan 0.000 0.467 123 N N 0.445 119.118 118.700 -0.044 0.000 2.295 123 N HA 0.231 4.971 4.740 -0.000 0.000 0.221 123 N C -0.328 175.134 175.510 -0.079 0.000 1.129 123 N CA -0.135 52.879 53.050 -0.060 0.000 0.836 123 N CB -0.009 38.456 38.487 -0.037 0.000 1.040 123 N HN 0.229 nan 8.380 nan 0.000 0.494 124 L N 1.032 122.206 121.223 -0.082 0.000 2.490 124 L HA 0.045 4.385 4.340 -0.000 0.000 0.274 124 L C 1.627 178.415 176.870 -0.137 0.000 1.201 124 L CA 0.462 55.252 54.840 -0.084 0.000 0.869 124 L CB 0.427 42.446 42.059 -0.066 0.000 1.123 124 L HN 0.090 nan 8.230 nan 0.000 0.484 125 K N 2.276 122.610 120.400 -0.110 0.000 2.189 125 K HA -0.249 4.071 4.320 -0.000 0.000 0.207 125 K C 1.801 178.241 176.600 -0.266 0.000 1.046 125 K CA 1.566 57.780 56.287 -0.122 0.000 0.928 125 K CB -0.276 32.215 32.500 -0.015 0.000 0.720 125 K HN 0.991 nan 8.250 nan 0.000 0.458 126 G N 1.084 109.762 108.800 -0.203 0.000 2.440 126 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.218 126 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.218 126 G C 0.593 175.166 174.900 -0.545 0.000 1.154 126 G CA 0.373 45.275 45.100 -0.331 0.000 0.767 126 G HN 0.112 nan 8.290 nan 0.000 0.552 127 V N 0.602 120.277 119.914 -0.398 0.000 2.928 127 V HA 0.275 4.395 4.120 -0.000 0.000 0.307 127 V C -0.313 175.462 176.094 -0.531 0.000 1.105 127 V CA 0.647 62.752 62.300 -0.325 0.000 1.223 127 V CB 0.201 31.907 31.823 -0.194 0.000 0.930 127 V HN 0.163 nan 8.190 nan 0.000 0.499 128 F N 1.272 121.174 119.950 -0.079 0.000 2.639 128 F HA 0.461 4.988 4.527 -0.000 0.000 0.320 128 F C 0.054 175.849 175.800 -0.008 0.000 1.128 128 F CA -0.748 57.223 58.000 -0.048 0.000 1.037 128 F CB 2.048 41.016 39.000 -0.052 0.000 1.288 128 F HN 0.563 nan 8.300 nan 0.000 0.463 129 T N -0.260 114.429 114.554 0.225 0.000 2.888 129 T HA 0.834 5.184 4.350 -0.000 0.000 0.284 129 T C -0.442 174.311 174.700 0.088 0.000 1.017 129 T CA -0.844 61.329 62.100 0.123 0.000 1.022 129 T CB 1.961 70.881 68.868 0.087 0.000 1.013 129 T HN 0.864 nan 8.240 nan 0.000 0.465 130 A N 2.268 125.113 122.820 0.042 0.000 2.736 130 A HA 0.499 4.819 4.320 -0.000 0.000 0.335 130 A C 0.348 177.913 177.584 -0.032 0.000 1.446 130 A CA -0.586 51.441 52.037 -0.017 0.000 1.028 130 A CB -0.307 18.669 19.000 -0.040 0.000 1.154 130 A HN 0.967 nan 8.150 nan 0.000 0.507 131 D N 1.613 121.986 120.400 -0.045 0.000 3.221 131 D HA 0.399 5.039 4.640 -0.000 0.000 0.207 131 D C 1.316 177.536 176.300 -0.133 0.000 1.292 131 D CA 0.683 54.650 54.000 -0.055 0.000 1.410 131 D CB -0.160 40.634 40.800 -0.010 0.000 0.956 131 D HN 0.543 nan 8.370 nan 0.000 0.177 132 L N 1.024 122.154 121.223 -0.156 0.000 2.477 132 L HA 0.167 4.507 4.340 -0.000 0.000 0.289 132 L C -1.331 175.201 176.870 -0.563 0.000 1.279 132 L CA 0.146 54.778 54.840 -0.347 0.000 0.825 132 L CB -1.500 40.393 42.059 -0.277 0.000 1.085 132 L HN 0.304 nan 8.230 nan 0.000 0.548 133 P HA 0.039 nan 4.420 nan 0.000 0.237 133 P C -1.544 175.397 177.300 -0.597 0.000 1.178 133 P CA 0.792 63.330 63.100 -0.935 0.000 0.766 133 P CB -0.314 30.619 31.700 -1.277 0.000 0.876 134 P HA -0.110 nan 4.420 nan 0.000 0.221 134 P C 0.886 178.162 177.300 -0.040 0.000 1.155 134 P CA 1.301 64.412 63.100 0.020 0.000 0.812 134 P CB 0.008 31.883 31.700 0.292 0.000 0.801 135 D N 0.945 121.278 120.400 -0.111 0.000 2.144 135 D HA -0.132 4.508 4.640 -0.000 0.000 0.199 135 D C 2.090 178.228 176.300 -0.271 0.000 0.984 135 D CA 1.471 55.371 54.000 -0.167 0.000 0.834 135 D CB -0.448 40.291 40.800 -0.101 0.000 0.955 135 D HN 0.160 nan 8.370 nan 0.000 0.465 136 A N 1.543 124.228 122.820 -0.226 0.000 1.877 136 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 136 A C 2.701 180.198 177.584 -0.146 0.000 1.186 136 A CA 2.417 54.334 52.037 -0.200 0.000 0.620 136 A CB -1.116 17.760 19.000 -0.207 0.000 0.822 136 A HN 0.279 nan 8.150 nan 0.000 0.443 137 L N -1.146 120.022 121.223 -0.091 0.000 2.022 137 L HA 0.353 4.693 4.340 -0.000 0.000 0.204 137 L C 3.019 179.877 176.870 -0.020 0.000 1.076 137 L CA 2.310 57.140 54.840 -0.016 0.000 0.749 137 L CB -2.186 39.912 42.059 0.065 0.000 0.903 137 L HN 0.703 nan 8.230 nan 0.000 0.439 138 A N -0.054 122.764 122.820 -0.004 0.000 1.863 138 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 138 A C 2.670 180.175 177.584 -0.132 0.000 1.233 138 A CA 4.090 56.157 52.037 0.051 0.000 0.655 138 A CB -1.490 17.620 19.000 0.183 0.000 0.839 138 A HN 1.709 nan 8.150 nan 0.000 0.454 139 I N -1.086 119.018 120.570 -0.777 0.000 2.236 139 I HA -0.257 3.913 4.170 -0.000 0.000 0.249 139 I C 2.494 178.501 176.117 -0.183 0.000 1.102 139 I CA 2.809 63.509 61.300 -0.999 0.000 1.365 139 I CB -1.348 36.004 38.000 -1.081 0.000 1.051 139 I HN 0.433 nan 8.210 nan 0.000 0.420 140 R N 0.506 120.940 120.500 -0.109 0.000 2.189 140 R HA -0.040 4.300 4.340 -0.000 0.000 0.223 140 R C 2.297 178.647 176.300 0.084 0.000 1.092 140 R CA 1.544 57.653 56.100 0.014 0.000 0.989 140 R CB -0.722 29.568 30.300 -0.018 0.000 0.876 140 R HN 0.864 nan 8.270 nan 0.000 0.457 141 E N 0.068 120.334 120.200 0.110 0.000 2.022 141 E HA -0.132 4.218 4.350 -0.000 0.000 0.190 141 E C 1.713 178.473 176.600 0.266 0.000 0.973 141 E CA 0.800 57.295 56.400 0.158 0.000 0.816 141 E CB -1.163 28.633 29.700 0.160 0.000 0.781 141 E HN 0.453 nan 8.360 nan 0.000 0.456 142 Y N 0.889 121.334 120.300 0.242 0.000 2.062 142 Y HA -0.377 4.173 4.550 -0.000 0.000 0.273 142 Y C 2.977 179.081 175.900 0.339 0.000 1.206 142 Y CA 4.246 62.590 58.100 0.407 0.000 1.125 142 Y CB -0.486 38.288 38.460 0.523 0.000 0.951 142 Y HN 0.415 nan 8.280 nan 0.000 0.501 143 M N 0.585 120.534 119.600 0.582 0.000 2.126 143 M HA -0.121 4.359 4.480 -0.000 0.000 0.259 143 M C 1.884 178.321 176.300 0.229 0.000 1.073 143 M CA 2.773 58.301 55.300 0.380 0.000 1.103 143 M CB -2.266 30.490 32.600 0.261 0.000 1.284 143 M HN 0.503 nan 8.290 nan 0.000 0.420 144 E N 1.037 121.339 120.200 0.170 0.000 2.780 144 E HA 0.278 4.628 4.350 -0.000 0.000 0.234 144 E C 0.956 177.580 176.600 0.041 0.000 1.425 144 E CA 1.108 57.564 56.400 0.093 0.000 1.481 144 E CB -1.012 nan 29.700 nan 0.000 1.357 144 E HN 0.848 nan 8.360 nan 0.000 0.431 145 K N -1.587 118.826 120.400 0.022 0.000 2.706 145 K HA 0.220 4.540 4.320 -0.000 0.000 0.298 145 K C -0.701 175.795 176.600 -0.174 0.000 1.742 145 K CA -0.460 55.735 56.287 -0.154 0.000 1.045 145 K CB 0.407 32.730 32.500 -0.296 0.000 3.091 145 K HN 0.251 nan 8.250 nan 0.000 0.917 146 Y N 3.084 123.304 120.300 -0.134 0.000 2.804 146 Y HA 0.050 4.600 4.550 -0.000 0.000 0.338 146 Y C 0.503 176.371 175.900 -0.054 0.000 1.252 146 Y CA 0.689 58.696 58.100 -0.156 0.000 1.576 146 Y CB -0.565 37.677 38.460 -0.364 0.000 1.223 146 Y HN 0.293 nan 8.280 nan 0.000 0.536 147 K N 2.820 123.275 120.400 0.091 0.000 2.473 147 K HA 0.318 4.638 4.320 -0.000 0.000 0.277 147 K C -0.543 176.118 176.600 0.102 0.000 1.052 147 K CA 0.057 56.389 56.287 0.076 0.000 1.114 147 K CB -0.411 32.119 32.500 0.050 0.000 0.869 147 K HN 0.575 nan 8.250 nan 0.000 0.481 148 V N 2.391 122.364 119.914 0.098 0.000 2.380 148 V HA 0.553 4.673 4.120 -0.000 0.000 0.286 148 V C 1.069 177.187 176.094 0.041 0.000 1.015 148 V CA 0.078 62.429 62.300 0.086 0.000 0.834 148 V CB 0.924 32.814 31.823 0.110 0.000 1.009 148 V HN 1.016 nan 8.190 nan 0.000 0.428 149 E N 3.312 123.531 120.200 0.031 0.000 2.413 149 E HA 0.204 4.554 4.350 -0.000 0.000 0.203 149 E C 0.389 176.995 176.600 0.010 0.000 0.957 149 E CA 0.335 56.749 56.400 0.024 0.000 0.950 149 E CB 0.237 nan 29.700 nan 0.000 0.957 149 E HN 0.725 nan 8.360 nan 0.000 0.497 150 N N -0.702 117.997 118.700 -0.001 0.000 2.504 150 N HA 0.462 5.202 4.740 -0.000 0.000 0.280 150 N C -1.633 173.845 175.510 -0.054 0.000 1.052 150 N CA -0.359 52.685 53.050 -0.009 0.000 0.887 150 N CB 2.342 40.842 38.487 0.021 0.000 1.323 150 N HN 0.167 nan 8.380 nan 0.000 0.509 151 V N 2.841 122.691 119.914 -0.107 0.000 2.495 151 V HA 0.636 4.756 4.120 -0.000 0.000 0.298 151 V C -0.985 175.056 176.094 -0.087 0.000 1.031 151 V CA -0.524 61.665 62.300 -0.185 0.000 0.871 151 V CB 1.479 32.982 31.823 -0.532 0.000 0.988 151 V HN 0.356 nan 8.190 nan 0.000 0.432 152 V N 8.014 127.892 119.914 -0.059 0.000 2.459 152 V HA 0.541 4.661 4.120 -0.000 0.000 0.295 152 V C -0.132 175.959 176.094 -0.005 0.000 1.029 152 V CA -0.450 61.828 62.300 -0.037 0.000 0.874 152 V CB 1.685 33.481 31.823 -0.045 0.000 0.985 152 V HN 0.755 nan 8.190 nan 0.000 0.438 153 I N 5.635 126.209 120.570 0.007 0.000 2.355 153 I HA 0.450 4.620 4.170 -0.000 0.000 0.288 153 I C -0.371 175.742 176.117 -0.007 0.000 0.999 153 I CA -0.316 61.007 61.300 0.038 0.000 1.163 153 I CB 1.612 39.663 38.000 0.086 0.000 1.316 153 I HN 0.420 nan 8.210 nan 0.000 0.454 154 I N 6.238 126.808 120.570 -0.001 0.000 2.291 154 I HA 0.587 4.757 4.170 -0.000 0.000 0.292 154 I C 0.606 176.720 176.117 -0.005 0.000 1.064 154 I CA 0.090 61.380 61.300 -0.016 0.000 1.269 154 I CB 0.710 38.705 38.000 -0.008 0.000 1.418 154 I HN 0.833 nan 8.210 nan 0.000 0.485 155 G N 3.580 112.369 108.800 -0.020 0.000 2.326 155 G HA2 0.213 4.173 3.960 -0.000 0.000 0.478 155 G HA3 0.213 4.173 3.960 -0.000 0.000 0.478 155 G C -0.296 174.585 174.900 -0.032 0.000 1.551 155 G CA -0.457 44.633 45.100 -0.018 0.000 0.946 155 G HN 0.773 nan 8.290 nan 0.000 0.671 156 G N -0.163 108.609 108.800 -0.047 0.000 4.331 156 G HA2 0.690 4.650 3.960 -0.000 0.000 0.299 156 G HA3 0.690 4.650 3.960 -0.000 0.000 0.299 156 G C 0.627 175.471 174.900 -0.094 0.000 1.158 156 G CA 0.986 46.046 45.100 -0.067 0.000 0.916 156 G HN 1.258 nan 8.290 nan 0.000 0.553 157 G N -0.545 108.202 108.800 -0.090 0.000 2.702 157 G HA2 0.431 4.391 3.960 -0.000 0.000 0.254 157 G HA3 0.431 4.391 3.960 -0.000 0.000 0.254 157 G C 0.605 175.437 174.900 -0.114 0.000 1.380 157 G CA -0.600 44.395 45.100 -0.174 0.000 1.042 157 G HN 0.044 nan 8.290 nan 0.000 0.557 158 Y N 0.458 120.780 120.300 0.037 0.000 2.070 158 Y HA -0.128 4.422 4.550 -0.000 0.000 0.279 158 Y C 2.928 178.836 175.900 0.014 0.000 1.134 158 Y CA 1.921 60.041 58.100 0.033 0.000 1.113 158 Y CB -0.938 37.541 38.460 0.031 0.000 0.981 158 Y HN 0.431 nan 8.280 nan 0.000 0.487 159 I N -1.470 119.210 120.570 0.183 0.000 2.113 159 I HA -0.240 3.930 4.170 -0.000 0.000 0.242 159 I C 2.602 178.754 176.117 0.059 0.000 1.064 159 I CA 1.981 63.333 61.300 0.087 0.000 1.320 159 I CB -1.471 36.569 38.000 0.066 0.000 1.028 159 I HN 0.202 nan 8.210 nan 0.000 0.406 160 G N 1.650 110.480 108.800 0.050 0.000 2.469 160 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.219 160 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.219 160 G C 1.723 176.653 174.900 0.051 0.000 1.150 160 G CA 1.310 46.434 45.100 0.039 0.000 0.763 160 G HN 0.501 nan 8.290 nan 0.000 0.561 161 I N 0.223 120.828 120.570 0.059 0.000 2.202 161 I HA -0.103 4.067 4.170 -0.000 0.000 0.242 161 I C 2.783 178.989 176.117 0.149 0.000 1.091 161 I CA 1.069 62.428 61.300 0.097 0.000 1.368 161 I CB -0.284 37.771 38.000 0.091 0.000 1.058 161 I HN 0.251 nan 8.210 nan 0.000 0.410 162 E N 0.474 120.730 120.200 0.093 0.000 2.058 162 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 162 E C 2.292 178.876 176.600 -0.028 0.000 0.997 162 E CA 1.334 57.753 56.400 0.031 0.000 0.801 162 E CB -0.095 29.602 29.700 -0.006 0.000 0.746 162 E HN 0.369 nan 8.360 nan 0.000 0.450 163 M N 0.125 119.700 119.600 -0.041 0.000 2.159 163 M HA -0.116 4.364 4.480 -0.000 0.000 0.263 163 M C 2.438 178.719 176.300 -0.032 0.000 1.063 163 M CA 1.113 56.330 55.300 -0.139 0.000 1.110 163 M CB -0.939 31.630 32.600 -0.053 0.000 1.374 163 M HN 0.095 nan 8.290 nan 0.000 0.411 164 A N -0.327 122.566 122.820 0.121 0.000 2.019 164 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 164 A C 2.159 179.935 177.584 0.319 0.000 1.164 164 A CA 1.838 54.016 52.037 0.234 0.000 0.644 164 A CB -0.632 18.483 19.000 0.191 0.000 0.805 164 A HN 0.619 nan 8.150 nan 0.000 0.449 165 E N -0.324 120.011 120.200 0.223 0.000 2.102 165 E HA 0.052 4.402 4.350 -0.000 0.000 0.190 165 E C 2.171 178.710 176.600 -0.100 0.000 0.971 165 E CA 0.685 57.067 56.400 -0.029 0.000 0.821 165 E CB -0.217 29.285 29.700 -0.329 0.000 0.777 165 E HN 0.473 nan 8.360 nan 0.000 0.460 166 A N 0.944 123.666 122.820 -0.162 0.000 1.869 166 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 166 A C 1.893 179.377 177.584 -0.168 0.000 1.203 166 A CA 1.791 53.670 52.037 -0.263 0.000 0.638 166 A CB -0.996 17.708 19.000 -0.494 0.000 0.831 166 A HN 0.351 nan 8.150 nan 0.000 0.450 167 F N -0.205 119.756 119.950 0.018 0.000 2.163 167 F HA 0.078 4.605 4.527 -0.000 0.000 0.297 167 F C 2.852 178.680 175.800 0.047 0.000 1.094 167 F CA 0.357 58.377 58.000 0.033 0.000 1.290 167 F CB -1.075 37.952 39.000 0.045 0.000 1.017 167 F HN 0.254 nan 8.300 nan 0.000 0.483 168 A N 0.056 123.028 122.820 0.253 0.000 1.986 168 A HA -0.094 4.226 4.320 -0.000 0.000 0.220 168 A C 2.339 179.996 177.584 0.122 0.000 1.171 168 A CA 1.858 54.015 52.037 0.200 0.000 0.640 168 A CB -1.196 17.958 19.000 0.256 0.000 0.811 168 A HN 0.292 nan 8.150 nan 0.000 0.451 169 A N -1.552 121.301 122.820 0.055 0.000 2.169 169 A HA 0.025 4.345 4.320 -0.000 0.000 0.212 169 A C 1.783 179.392 177.584 0.043 0.000 1.153 169 A CA 0.762 52.805 52.037 0.009 0.000 0.756 169 A CB -0.160 18.802 19.000 -0.063 0.000 0.813 169 A HN 0.480 nan 8.150 nan 0.000 0.471 170 Q N -0.953 118.902 119.800 0.092 0.000 2.444 170 Q HA 0.112 4.452 4.340 -0.000 0.000 0.206 170 Q C 1.276 177.336 176.000 0.100 0.000 0.948 170 Q CA 0.663 56.531 55.803 0.108 0.000 0.946 170 Q CB 0.030 28.883 28.738 0.192 0.000 1.027 170 Q HN 0.873 nan 8.270 nan 0.000 0.513 171 G N 1.450 110.307 108.800 0.096 0.000 2.189 171 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.267 171 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.267 171 G C 0.168 175.120 174.900 0.086 0.000 0.975 171 G CA 0.629 45.780 45.100 0.085 0.000 0.644 171 G HN 0.226 nan 8.290 nan 0.000 0.537 172 K N 0.816 121.277 120.400 0.102 0.000 2.202 172 K HA 0.392 4.712 4.320 -0.000 0.000 0.264 172 K C 0.684 177.330 176.600 0.078 0.000 1.010 172 K CA -0.612 55.719 56.287 0.074 0.000 0.940 172 K CB 0.440 32.967 32.500 0.044 0.000 0.983 172 K HN 0.284 nan 8.250 nan 0.000 0.475 173 N N 1.179 119.910 118.700 0.052 0.000 2.479 173 N HA 0.064 4.804 4.740 -0.000 0.000 0.257 173 N C -1.236 174.306 175.510 0.052 0.000 1.232 173 N CA 0.097 53.181 53.050 0.056 0.000 0.920 173 N CB 0.556 39.069 38.487 0.043 0.000 1.105 173 N HN 0.119 nan 8.380 nan 0.000 0.444 174 V N 2.025 121.982 119.914 0.072 0.000 2.686 174 V HA 0.379 4.499 4.120 -0.000 0.000 0.306 174 V C -0.482 175.637 176.094 0.042 0.000 1.065 174 V CA -0.729 61.616 62.300 0.075 0.000 0.894 174 V CB 1.976 33.891 31.823 0.153 0.000 1.004 174 V HN 0.727 nan 8.190 nan 0.000 0.424 175 T N 5.742 120.297 114.554 0.002 0.000 2.890 175 T HA 0.518 4.868 4.350 -0.000 0.000 0.295 175 T C -0.464 174.173 174.700 -0.106 0.000 0.993 175 T CA -0.264 61.796 62.100 -0.067 0.000 0.979 175 T CB 1.260 70.064 68.868 -0.108 0.000 0.967 175 T HN 0.557 nan 8.240 nan 0.000 0.441 176 M N 3.859 123.394 119.600 -0.109 0.000 2.318 176 M HA 0.590 5.070 4.480 -0.000 0.000 0.347 176 M C -1.148 175.055 176.300 -0.162 0.000 1.175 176 M CA -0.649 54.588 55.300 -0.104 0.000 1.075 176 M CB 0.816 33.369 32.600 -0.079 0.000 1.614 176 M HN 0.548 nan 8.290 nan 0.000 0.456 177 I N 4.735 125.221 120.570 -0.141 0.000 2.521 177 I HA 0.279 4.449 4.170 -0.000 0.000 0.277 177 I C -0.930 175.137 176.117 -0.084 0.000 1.054 177 I CA -0.641 60.571 61.300 -0.147 0.000 1.117 177 I CB 1.609 39.498 38.000 -0.185 0.000 1.217 177 I HN 0.343 nan 8.210 nan 0.000 0.469 178 V N 7.123 126.994 119.914 -0.073 0.000 2.483 178 V HA 0.444 4.564 4.120 -0.000 0.000 0.295 178 V C 1.301 177.371 176.094 -0.041 0.000 1.035 178 V CA -0.407 61.861 62.300 -0.054 0.000 0.896 178 V CB 1.627 33.414 31.823 -0.059 0.000 0.986 178 V HN 0.862 nan 8.190 nan 0.000 0.447 179 R N 4.479 124.961 120.500 -0.029 0.000 2.236 179 R HA 0.241 4.581 4.340 -0.000 0.000 0.208 179 R C 0.891 177.179 176.300 -0.020 0.000 1.036 179 R CA 0.636 56.724 56.100 -0.020 0.000 1.001 179 R CB -0.360 29.933 30.300 -0.012 0.000 0.896 179 R HN 0.728 nan 8.270 nan 0.000 0.464 180 G N 1.965 110.749 108.800 -0.026 0.000 2.616 180 G HA2 0.005 3.965 3.960 -0.000 0.000 0.268 180 G HA3 0.005 3.965 3.960 -0.000 0.000 0.268 180 G C 0.466 175.348 174.900 -0.030 0.000 1.213 180 G CA -0.440 44.644 45.100 -0.027 0.000 0.926 180 G HN 0.319 nan 8.290 nan 0.000 0.523 181 E N -0.535 119.648 120.200 -0.029 0.000 2.512 181 E HA -0.010 4.340 4.350 -0.000 0.000 0.195 181 E C 0.713 177.289 176.600 -0.040 0.000 1.083 181 E CA 0.171 56.553 56.400 -0.031 0.000 0.873 181 E CB -0.226 29.457 29.700 -0.027 0.000 0.897 181 E HN 0.690 nan 8.360 nan 0.000 0.514 182 R N -1.389 119.084 120.500 -0.045 0.000 2.825 182 R HA 0.301 4.641 4.340 -0.000 0.000 0.274 182 R C -0.374 175.889 176.300 -0.062 0.000 1.026 182 R CA -0.427 55.639 56.100 -0.057 0.000 0.867 182 R CB 0.262 30.527 30.300 -0.057 0.000 1.268 182 R HN -0.066 nan 8.270 nan 0.000 0.491 183 V N 0.083 119.949 119.914 -0.079 0.000 3.376 183 V HA 0.264 4.384 4.120 -0.000 0.000 0.303 183 V C 1.392 177.440 176.094 -0.077 0.000 1.100 183 V CA -0.175 62.072 62.300 -0.088 0.000 1.126 183 V CB 0.055 31.811 31.823 -0.113 0.000 1.085 183 V HN 0.899 nan 8.190 nan 0.000 0.480 184 L N -0.773 120.394 121.223 -0.094 0.000 3.991 184 L HA -0.287 4.053 4.340 -0.000 0.000 0.437 184 L C 2.270 179.140 176.870 -0.001 0.000 1.138 184 L CA 1.348 56.148 54.840 -0.067 0.000 0.964 184 L CB -1.319 40.749 42.059 0.015 0.000 1.867 184 L HN 1.051 nan 8.230 nan 0.000 1.028 185 R N 1.322 121.802 120.500 -0.033 0.000 2.165 185 R HA -0.225 4.115 4.340 -0.000 0.000 0.254 185 R C 1.758 178.050 176.300 -0.013 0.000 1.153 185 R CA 2.498 58.586 56.100 -0.021 0.000 0.971 185 R CB -0.070 30.211 30.300 -0.032 0.000 0.878 185 R HN 0.517 nan 8.270 nan 0.000 0.449 186 R N -0.902 119.581 120.500 -0.028 0.000 2.393 186 R HA 0.186 4.526 4.340 -0.000 0.000 0.244 186 R C 1.024 177.294 176.300 -0.049 0.000 0.920 186 R CA 0.087 56.170 56.100 -0.029 0.000 1.076 186 R CB 0.742 31.028 30.300 -0.022 0.000 1.119 186 R HN 0.112 nan 8.270 nan 0.000 0.524 187 S N -0.563 115.105 115.700 -0.052 0.000 2.575 187 S HA 0.306 4.776 4.470 -0.000 0.000 0.230 187 S C -0.325 174.036 174.600 -0.398 0.000 1.062 187 S CA 0.098 58.192 58.200 -0.178 0.000 0.913 187 S CB 0.555 63.662 63.200 -0.155 0.000 0.837 187 S HN 0.023 nan 8.310 nan 0.000 0.487 188 F N 1.615 121.553 119.950 -0.020 0.000 2.599 188 F HA 0.439 4.966 4.527 -0.000 0.000 0.311 188 F C -0.381 175.394 175.800 -0.042 0.000 1.076 188 F CA -1.330 56.664 58.000 -0.011 0.000 0.937 188 F CB 1.054 40.052 39.000 -0.004 0.000 1.282 188 F HN -0.162 nan 8.300 nan 0.000 0.460 189 D N 1.367 121.849 120.400 0.137 0.000 2.362 189 D HA 0.063 4.703 4.640 -0.000 0.000 0.242 189 D C 1.074 177.361 176.300 -0.023 0.000 1.132 189 D CA -0.077 53.935 54.000 0.019 0.000 0.907 189 D CB 1.236 42.016 40.800 -0.033 0.000 1.195 189 D HN 0.563 nan 8.370 nan 0.000 0.429 190 K N 1.542 121.902 120.400 -0.065 0.000 2.052 190 K HA -0.243 4.077 4.320 -0.000 0.000 0.215 190 K C 1.662 178.169 176.600 -0.155 0.000 1.053 190 K CA 1.687 57.917 56.287 -0.095 0.000 0.934 190 K CB 0.057 32.501 32.500 -0.093 0.000 0.717 190 K HN 0.494 nan 8.250 nan 0.000 0.450 191 E N 0.453 120.499 120.200 -0.255 0.000 2.160 191 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 191 E C 1.974 178.378 176.600 -0.327 0.000 0.991 191 E CA 1.529 57.690 56.400 -0.399 0.000 0.810 191 E CB -0.464 28.735 29.700 -0.835 0.000 0.742 191 E HN 0.265 nan 8.360 nan 0.000 0.466 192 V N 1.629 121.415 119.914 -0.213 0.000 2.379 192 V HA -0.173 3.947 4.120 -0.000 0.000 0.245 192 V C 2.463 178.481 176.094 -0.125 0.000 1.044 192 V CA 2.015 64.280 62.300 -0.058 0.000 1.036 192 V CB -0.844 31.022 31.823 0.071 0.000 0.664 192 V HN 0.293 nan 8.190 nan 0.000 0.453 193 T N 0.020 114.499 114.554 -0.125 0.000 2.674 193 T HA -0.203 4.147 4.350 -0.000 0.000 0.265 193 T C 1.667 176.276 174.700 -0.152 0.000 1.039 193 T CA 1.850 63.864 62.100 -0.143 0.000 1.150 193 T CB -0.454 68.359 68.868 -0.093 0.000 0.864 193 T HN 0.464 nan 8.240 nan 0.000 0.427 194 D N 0.888 121.199 120.400 -0.150 0.000 2.149 194 D HA -0.095 4.545 4.640 -0.000 0.000 0.194 194 D C 1.899 178.094 176.300 -0.175 0.000 1.001 194 D CA 0.851 54.762 54.000 -0.148 0.000 0.849 194 D CB -0.452 40.262 40.800 -0.143 0.000 0.939 194 D HN 0.295 nan 8.370 nan 0.000 0.449 195 I N 0.045 120.474 120.570 -0.236 0.000 2.286 195 I HA -0.188 3.982 4.170 -0.000 0.000 0.248 195 I C 2.227 178.236 176.117 -0.180 0.000 1.115 195 I CA 0.572 61.692 61.300 -0.300 0.000 1.392 195 I CB -0.199 37.498 38.000 -0.506 0.000 1.065 195 I HN 0.009 nan 8.210 nan 0.000 0.418 196 L N 0.146 121.276 121.223 -0.154 0.000 2.095 196 L HA -0.097 4.243 4.340 -0.000 0.000 0.204 196 L C 2.388 179.182 176.870 -0.127 0.000 1.080 196 L CA 1.627 56.398 54.840 -0.114 0.000 0.759 196 L CB -0.599 41.377 42.059 -0.139 0.000 0.914 196 L HN 0.225 nan 8.230 nan 0.000 0.439 197 E N -0.465 119.650 120.200 -0.142 0.000 2.110 197 E HA -0.300 4.050 4.350 -0.000 0.000 0.193 197 E C 1.950 178.484 176.600 -0.110 0.000 0.988 197 E CA 1.285 57.600 56.400 -0.142 0.000 0.804 197 E CB -0.085 29.541 29.700 -0.122 0.000 0.745 197 E HN 0.533 nan 8.360 nan 0.000 0.458 198 E N 1.604 121.752 120.200 -0.088 0.000 2.049 198 E HA -0.249 4.101 4.350 -0.000 0.000 0.198 198 E C 1.951 178.545 176.600 -0.010 0.000 1.007 198 E CA 1.671 58.040 56.400 -0.052 0.000 0.809 198 E CB -0.015 29.653 29.700 -0.053 0.000 0.749 198 E HN -0.070 nan 8.360 nan 0.000 0.450 199 K N -0.273 120.135 120.400 0.013 0.000 2.057 199 K HA -0.087 4.233 4.320 -0.000 0.000 0.207 199 K C 1.965 178.638 176.600 0.123 0.000 1.049 199 K CA 0.982 57.341 56.287 0.121 0.000 0.931 199 K CB -0.607 31.991 32.500 0.163 0.000 0.714 199 K HN 0.208 nan 8.250 nan 0.000 0.440 200 L N 1.304 122.454 121.223 -0.122 0.000 2.046 200 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 200 L C 1.098 177.884 176.870 -0.140 0.000 1.077 200 L CA 1.850 56.477 54.840 -0.356 0.000 0.747 200 L CB -0.344 41.431 42.059 -0.473 0.000 0.896 200 L HN 0.070 nan 8.230 nan 0.000 0.432 201 K N -0.430 119.916 120.400 -0.090 0.000 2.668 201 K HA -0.040 4.280 4.320 -0.000 0.000 0.204 201 K C 0.820 177.391 176.600 -0.048 0.000 1.016 201 K CA 0.331 56.581 56.287 -0.062 0.000 1.131 201 K CB -0.064 32.401 32.500 -0.058 0.000 0.891 201 K HN 0.323 nan 8.250 nan 0.000 0.499 202 K N -1.039 119.338 120.400 -0.037 0.000 2.477 202 K HA 0.110 4.430 4.320 -0.000 0.000 0.208 202 K C 0.129 176.467 176.600 -0.438 0.000 1.117 202 K CA 0.152 56.329 56.287 -0.184 0.000 1.039 202 K CB 0.704 33.095 32.500 -0.182 0.000 0.937 202 K HN 0.161 nan 8.250 nan 0.000 0.570 203 H N -1.252 117.853 119.070 0.058 0.000 3.787 203 H HA 0.229 4.785 4.556 -0.000 0.000 0.262 203 H C -0.718 174.667 175.328 0.096 0.000 1.181 203 H CA -0.170 55.949 56.048 0.118 0.000 1.159 203 H CB 1.400 31.321 29.762 0.265 0.000 1.563 203 H HN -0.203 nan 8.280 nan 0.000 0.699 204 V N 0.897 120.873 119.914 0.104 0.000 3.012 204 V HA 0.114 4.234 4.120 -0.000 0.000 0.307 204 V C -0.540 175.554 176.094 0.000 0.000 1.166 204 V CA -1.227 61.106 62.300 0.055 0.000 0.974 204 V CB 2.567 34.400 31.823 0.017 0.000 1.040 204 V HN 0.382 nan 8.190 nan 0.000 0.428 205 N N 2.683 121.384 118.700 0.003 0.000 2.402 205 N HA 0.249 4.989 4.740 -0.000 0.000 0.259 205 N C -1.016 174.465 175.510 -0.049 0.000 1.167 205 N CA -0.509 52.538 53.050 -0.006 0.000 0.949 205 N CB 0.584 39.086 38.487 0.025 0.000 1.212 205 N HN 0.526 nan 8.380 nan 0.000 0.493 206 L N 5.411 126.602 121.223 -0.054 0.000 2.255 206 L HA 0.362 4.702 4.340 -0.000 0.000 0.289 206 L C -0.615 176.216 176.870 -0.064 0.000 1.046 206 L CA -0.529 54.264 54.840 -0.078 0.000 0.816 206 L CB 0.434 42.438 42.059 -0.091 0.000 1.197 206 L HN 0.441 nan 8.230 nan 0.000 0.427 207 R N 6.766 127.211 120.500 -0.091 0.000 2.295 207 R HA 0.545 4.885 4.340 -0.000 0.000 0.324 207 R C -1.036 175.228 176.300 -0.060 0.000 0.968 207 R CA -0.590 55.474 56.100 -0.061 0.000 0.837 207 R CB 0.703 30.945 30.300 -0.096 0.000 1.133 207 R HN 0.601 nan 8.270 nan 0.000 0.450 208 L N 1.993 123.194 121.223 -0.035 0.000 2.334 208 L HA 0.395 4.735 4.340 -0.000 0.000 0.270 208 L C 0.379 177.238 176.870 -0.019 0.000 1.018 208 L CA -1.091 53.728 54.840 -0.035 0.000 0.811 208 L CB 0.801 42.837 42.059 -0.037 0.000 1.271 208 L HN 0.560 nan 8.230 nan 0.000 0.443 209 Q N 0.465 120.254 119.800 -0.020 0.000 2.457 209 Q HA -0.170 4.170 4.340 -0.000 0.000 0.333 209 Q C -1.007 174.993 176.000 0.001 0.000 1.448 209 Q CA 0.680 56.477 55.803 -0.010 0.000 0.891 209 Q CB -1.319 27.415 28.738 -0.007 0.000 1.142 209 Q HN 0.602 nan 8.270 nan 0.000 0.375 210 E N 0.675 120.874 120.200 -0.002 0.000 2.294 210 E HA 0.321 4.671 4.350 -0.000 0.000 0.272 210 E C -0.902 175.702 176.600 0.006 0.000 0.896 210 E CA -0.727 55.681 56.400 0.013 0.000 0.802 210 E CB 1.230 30.945 29.700 0.025 0.000 1.267 210 E HN 0.153 nan 8.360 nan 0.000 0.406 211 I N 2.299 122.877 120.570 0.013 0.000 2.416 211 I HA 0.077 4.247 4.170 -0.000 0.000 0.288 211 I C 0.639 176.767 176.117 0.017 0.000 1.051 211 I CA 0.193 61.499 61.300 0.010 0.000 1.375 211 I CB 0.928 38.934 38.000 0.010 0.000 1.407 211 I HN 0.322 nan 8.210 nan 0.000 0.516 212 T N 7.107 121.668 114.554 0.011 0.000 2.919 212 T HA 0.263 4.613 4.350 -0.000 0.000 0.302 212 T C 1.123 175.834 174.700 0.018 0.000 1.031 212 T CA -0.118 61.993 62.100 0.018 0.000 1.127 212 T CB 0.975 69.848 68.868 0.008 0.000 0.952 212 T HN 0.527 nan 8.240 nan 0.000 0.540 213 M N 1.227 120.841 119.600 0.023 0.000 2.777 213 M HA 0.292 4.772 4.480 -0.000 0.000 0.244 213 M C 0.720 177.028 176.300 0.013 0.000 1.457 213 M CA 0.216 55.526 55.300 0.017 0.000 1.174 213 M CB 0.383 32.994 32.600 0.018 0.000 1.321 213 M HN 0.616 nan 8.290 nan 0.000 0.546 214 K N 1.941 122.351 120.400 0.016 0.000 2.633 214 K HA 0.526 4.846 4.320 -0.000 0.000 0.268 214 K C -1.429 175.179 176.600 0.012 0.000 1.005 214 K CA -0.644 55.649 56.287 0.010 0.000 0.976 214 K CB -0.387 nan 32.500 nan 0.000 1.372 214 K HN 0.448 nan 8.250 nan 0.000 0.420 215 I N -0.040 120.533 120.570 0.006 0.000 2.336 215 I HA 0.667 4.837 4.170 -0.000 0.000 0.292 215 I C 0.418 176.534 176.117 -0.001 0.000 0.991 215 I CA -0.541 60.763 61.300 0.007 0.000 1.227 215 I CB 1.490 39.490 38.000 0.001 0.000 1.366 215 I HN 0.795 nan 8.210 nan 0.000 0.466 216 E N 5.023 125.224 120.200 0.002 0.000 2.254 216 E HA 0.904 5.254 4.350 -0.000 0.000 0.258 216 E C -0.038 176.559 176.600 -0.005 0.000 1.033 216 E CA -1.012 55.386 56.400 -0.003 0.000 0.893 216 E CB 1.977 31.677 29.700 -0.000 0.000 1.204 216 E HN 0.965 nan 8.360 nan 0.000 0.425 217 G N -0.183 108.612 108.800 -0.008 0.000 2.367 217 G HA2 0.062 4.022 3.960 -0.000 0.000 0.272 217 G HA3 0.062 4.022 3.960 -0.000 0.000 0.272 217 G C -0.563 174.329 174.900 -0.012 0.000 1.271 217 G CA -0.412 44.682 45.100 -0.009 0.000 0.893 217 G HN 0.412 nan 8.290 nan 0.000 0.485 218 E N -0.542 119.649 120.200 -0.015 0.000 3.018 218 E HA 0.271 4.621 4.350 -0.000 0.000 0.293 218 E C 1.924 178.510 176.600 -0.022 0.000 0.886 218 E CA 0.187 56.577 56.400 -0.016 0.000 1.132 218 E CB -0.288 29.404 29.700 -0.014 0.000 2.610 218 E HN 0.362 nan 8.360 nan 0.000 0.572 219 E N 1.277 121.459 120.200 -0.030 0.000 2.045 219 E HA 0.021 4.371 4.350 -0.000 0.000 0.190 219 E C 1.069 177.639 176.600 -0.050 0.000 0.968 219 E CA 0.579 56.957 56.400 -0.037 0.000 0.813 219 E CB -0.136 29.539 29.700 -0.041 0.000 0.780 219 E HN 0.229 nan 8.360 nan 0.000 0.455 220 R N 0.650 121.111 120.500 -0.065 0.000 2.457 220 R HA 0.566 4.906 4.340 -0.000 0.000 0.284 220 R C 0.624 176.909 176.300 -0.025 0.000 1.024 220 R CA -0.360 55.711 56.100 -0.048 0.000 1.025 220 R CB 0.482 30.727 30.300 -0.091 0.000 1.063 220 R HN -0.063 nan 8.270 nan 0.000 0.493 221 V N 1.156 121.056 119.914 -0.023 0.000 3.209 221 V HA 0.196 4.316 4.120 -0.000 0.000 0.305 221 V C 1.053 177.146 176.094 -0.001 0.000 1.127 221 V CA 1.401 63.688 62.300 -0.022 0.000 1.235 221 V CB -0.076 31.722 31.823 -0.041 0.000 0.987 221 V HN 1.120 nan 8.190 nan 0.000 0.499 222 E N 2.248 122.448 120.200 0.000 0.000 2.756 222 E HA 0.639 4.989 4.350 -0.000 0.000 0.192 222 E C 1.081 177.691 176.600 0.017 0.000 1.022 222 E CA 1.155 57.560 56.400 0.009 0.000 1.224 222 E CB -0.176 29.527 29.700 0.005 0.000 1.252 222 E HN 1.971 nan 8.360 nan 0.000 0.494 223 K N -0.159 120.252 120.400 0.018 0.000 2.464 223 K HA 0.792 5.112 4.320 -0.000 0.000 0.253 223 K C -0.887 175.738 176.600 0.042 0.000 0.933 223 K CA -0.033 56.275 56.287 0.033 0.000 0.801 223 K CB 1.368 33.884 32.500 0.026 0.000 1.271 223 K HN 0.954 nan 8.250 nan 0.000 0.430 224 V N 2.205 122.165 119.914 0.076 0.000 2.427 224 V HA 0.802 4.922 4.120 -0.000 0.000 0.286 224 V C -0.472 175.706 176.094 0.140 0.000 1.034 224 V CA -0.483 61.868 62.300 0.085 0.000 0.893 224 V CB 1.114 32.978 31.823 0.069 0.000 0.982 224 V HN 0.893 nan 8.190 nan 0.000 0.452 225 V N 6.133 126.106 119.914 0.099 0.000 2.815 225 V HA 0.926 5.046 4.120 -0.000 0.000 0.314 225 V C -0.079 176.079 176.094 0.106 0.000 1.064 225 V CA 0.541 62.902 62.300 0.103 0.000 0.952 225 V CB 2.517 34.367 31.823 0.044 0.000 1.020 225 V HN 1.240 nan 8.190 nan 0.000 0.439 226 T N 1.523 116.151 114.554 0.123 0.000 2.864 226 T HA 0.322 4.672 4.350 -0.000 0.000 0.299 226 T C 0.006 174.748 174.700 0.070 0.000 1.166 226 T CA -0.068 62.093 62.100 0.101 0.000 1.007 226 T CB 1.702 70.654 68.868 0.141 0.000 1.219 226 T HN 0.855 nan 8.240 nan 0.000 0.506 227 D N 1.060 121.489 120.400 0.048 0.000 2.489 227 D HA 0.200 4.840 4.640 -0.000 0.000 0.264 227 D C 0.919 177.238 176.300 0.032 0.000 1.294 227 D CA 0.442 54.461 54.000 0.031 0.000 0.938 227 D CB -0.348 40.465 40.800 0.022 0.000 0.985 227 D HN 0.753 nan 8.370 nan 0.000 0.492 228 A N -1.195 121.652 122.820 0.044 0.000 2.631 228 A HA 0.524 4.844 4.320 -0.000 0.000 0.179 228 A C 0.650 178.248 177.584 0.023 0.000 1.492 228 A CA 0.135 52.194 52.037 0.037 0.000 1.077 228 A CB 0.595 19.625 19.000 0.051 0.000 1.249 228 A HN 0.548 nan 8.150 nan 0.000 0.466 229 G N -1.719 107.092 108.800 0.019 0.000 2.488 229 G HA2 0.705 4.665 3.960 -0.000 0.000 0.301 229 G HA3 0.705 4.665 3.960 -0.000 0.000 0.301 229 G C -1.330 173.448 174.900 -0.204 0.000 1.339 229 G CA 0.839 45.860 45.100 -0.131 0.000 0.803 229 G HN 1.044 nan 8.290 nan 0.000 0.482 230 E N -1.232 118.657 120.200 -0.520 0.000 2.340 230 E HA 0.782 5.132 4.350 -0.000 0.000 0.273 230 E C -2.004 174.176 176.600 -0.699 0.000 0.891 230 E CA -0.936 55.246 56.400 -0.363 0.000 0.757 230 E CB 2.132 31.717 29.700 -0.191 0.000 1.231 230 E HN 0.874 nan 8.360 nan 0.000 0.439 231 Y N -0.021 120.276 120.300 -0.004 0.000 2.470 231 Y HA 0.480 5.030 4.550 -0.000 0.000 0.341 231 Y C 0.231 176.128 175.900 -0.005 0.000 1.021 231 Y CA -1.351 56.747 58.100 -0.004 0.000 1.025 231 Y CB 2.604 41.062 38.460 -0.004 0.000 1.266 231 Y HN 0.687 nan 8.280 nan 0.000 0.448 232 K N 2.060 122.535 120.400 0.125 0.000 2.319 232 K HA 0.751 5.071 4.320 -0.000 0.000 0.265 232 K C -0.955 175.688 176.600 0.071 0.000 1.000 232 K CA 0.210 56.540 56.287 0.072 0.000 0.943 232 K CB 0.537 33.067 32.500 0.050 0.000 0.950 232 K HN 0.856 nan 8.250 nan 0.000 0.485 233 A N 3.371 126.217 122.820 0.043 0.000 2.534 233 A HA 0.274 4.594 4.320 -0.000 0.000 0.300 233 A C -0.777 176.819 177.584 0.021 0.000 1.054 233 A CA -0.739 51.312 52.037 0.024 0.000 0.858 233 A CB 0.943 19.955 19.000 0.021 0.000 1.333 233 A HN 0.768 nan 8.150 nan 0.000 0.391 234 E N 0.896 121.110 120.200 0.023 0.000 2.127 234 E HA 0.214 4.564 4.350 -0.000 0.000 0.191 234 E C 0.465 177.112 176.600 0.079 0.000 0.964 234 E CA 0.628 57.069 56.400 0.068 0.000 0.832 234 E CB 0.442 30.198 29.700 0.094 0.000 0.790 234 E HN 0.485 nan 8.360 nan 0.000 0.465 235 L N 1.075 122.293 121.223 -0.008 0.000 2.354 235 L HA 0.562 4.902 4.340 -0.000 0.000 0.269 235 L C -0.999 175.812 176.870 -0.099 0.000 1.005 235 L CA -1.033 53.755 54.840 -0.087 0.000 0.819 235 L CB 1.758 43.726 42.059 -0.151 0.000 1.311 235 L HN -0.030 nan 8.230 nan 0.000 0.423 236 V N 1.859 121.732 119.914 -0.067 0.000 3.049 236 V HA 0.663 4.783 4.120 -0.000 0.000 0.309 236 V C -0.874 175.257 176.094 0.060 0.000 1.148 236 V CA -0.837 61.452 62.300 -0.019 0.000 0.990 236 V CB 2.597 34.401 31.823 -0.032 0.000 1.039 236 V HN 0.507 nan 8.190 nan 0.000 0.430 237 I N 3.379 124.000 120.570 0.085 0.000 2.498 237 I HA 0.498 4.668 4.170 -0.000 0.000 0.290 237 I C -1.124 175.039 176.117 0.076 0.000 1.032 237 I CA -0.750 60.627 61.300 0.127 0.000 1.073 237 I CB 1.891 40.001 38.000 0.183 0.000 1.251 237 I HN 0.479 nan 8.210 nan 0.000 0.426 238 L N 5.556 126.822 121.223 0.072 0.000 2.287 238 L HA 0.484 4.824 4.340 -0.000 0.000 0.280 238 L C 0.762 177.664 176.870 0.053 0.000 1.055 238 L CA -0.190 54.679 54.840 0.049 0.000 0.863 238 L CB 0.748 42.831 42.059 0.041 0.000 1.245 238 L HN 0.737 nan 8.230 nan 0.000 0.432 239 A N 1.364 124.210 122.820 0.044 0.000 3.154 239 A HA 0.388 4.708 4.320 -0.000 0.000 0.310 239 A C 1.074 178.678 177.584 0.032 0.000 1.093 239 A CA -0.070 51.993 52.037 0.042 0.000 1.006 239 A CB -0.506 18.519 19.000 0.042 0.000 1.084 239 A HN 0.638 nan 8.150 nan 0.000 0.549 240 T N -2.981 111.594 114.554 0.035 0.000 3.144 240 T HA 0.497 4.847 4.350 -0.000 0.000 0.249 240 T C 0.872 175.600 174.700 0.045 0.000 1.089 240 T CA 0.440 62.558 62.100 0.031 0.000 0.989 240 T CB 0.029 68.913 68.868 0.027 0.000 0.992 240 T HN 1.721 nan 8.240 nan 0.000 0.540 241 G N 0.385 109.221 108.800 0.060 0.000 2.351 241 G HA2 0.321 4.281 3.960 -0.000 0.000 0.353 241 G HA3 0.321 4.281 3.960 -0.000 0.000 0.353 241 G C -1.867 173.102 174.900 0.116 0.000 1.358 241 G CA -0.669 44.484 45.100 0.089 0.000 0.995 241 G HN 0.479 nan 8.290 nan 0.000 0.611 242 I N -0.523 120.155 120.570 0.179 0.000 2.934 242 I HA 0.871 5.041 4.170 -0.000 0.000 0.306 242 I C -0.709 175.627 176.117 0.365 0.000 1.110 242 I CA -1.216 60.223 61.300 0.231 0.000 1.019 242 I CB 2.177 40.299 38.000 0.203 0.000 1.227 242 I HN 0.767 nan 8.210 nan 0.000 0.434 243 K N 5.596 126.168 120.400 0.288 0.000 2.469 243 K HA 0.610 4.930 4.320 -0.000 0.000 0.254 243 K C -2.810 173.831 176.600 0.070 0.000 0.939 243 K CA -1.845 54.521 56.287 0.132 0.000 0.812 243 K CB 2.487 35.008 32.500 0.036 0.000 1.301 243 K HN 0.159 nan 8.250 nan 0.000 0.433 244 P HA 0.127 nan 4.420 nan 0.000 0.276 244 P C -1.138 176.111 177.300 -0.085 0.000 1.235 244 P CA -0.382 62.619 63.100 -0.165 0.000 0.772 244 P CB 0.419 31.832 31.700 -0.477 0.000 0.871 245 N N 3.564 122.257 118.700 -0.012 0.000 3.178 245 N HA 0.049 4.789 4.740 -0.000 0.000 0.300 245 N C 1.111 176.586 175.510 -0.060 0.000 1.242 245 N CA 0.062 53.105 53.050 -0.011 0.000 1.192 245 N CB -0.321 38.190 38.487 0.039 0.000 1.463 245 N HN 0.497 nan 8.380 nan 0.000 0.539 246 I N -2.345 118.158 120.570 -0.111 0.000 3.059 246 I HA 0.017 4.187 4.170 -0.000 0.000 0.270 246 I C 1.535 177.548 176.117 -0.175 0.000 1.238 246 I CA 0.401 61.597 61.300 -0.173 0.000 1.478 246 I CB 0.083 37.978 38.000 -0.176 0.000 1.097 246 I HN -0.105 nan 8.210 nan 0.000 0.455 247 E N 1.796 121.933 120.200 -0.105 0.000 2.086 247 E HA -0.269 4.081 4.350 -0.000 0.000 0.205 247 E C 2.145 178.698 176.600 -0.078 0.000 1.027 247 E CA 1.504 57.859 56.400 -0.075 0.000 0.830 247 E CB -0.621 29.058 29.700 -0.035 0.000 0.751 247 E HN 0.449 nan 8.360 nan 0.000 0.456 248 L N 0.586 121.772 121.223 -0.062 0.000 2.127 248 L HA -0.133 4.207 4.340 -0.000 0.000 0.211 248 L C 2.230 179.058 176.870 -0.070 0.000 1.089 248 L CA 1.842 56.685 54.840 0.004 0.000 0.757 248 L CB -0.758 41.376 42.059 0.126 0.000 0.899 248 L HN 0.101 nan 8.230 nan 0.000 0.434 249 A N -1.311 121.259 122.820 -0.417 0.000 1.970 249 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 249 A C 2.224 179.668 177.584 -0.233 0.000 1.170 249 A CA 1.066 52.702 52.037 -0.668 0.000 0.645 249 A CB -0.322 17.972 19.000 -1.177 0.000 0.816 249 A HN 0.394 nan 8.150 nan 0.000 0.447 250 K N -0.357 119.943 120.400 -0.167 0.000 2.147 250 K HA -0.211 4.109 4.320 -0.000 0.000 0.205 250 K C 2.123 178.707 176.600 -0.027 0.000 1.049 250 K CA 1.454 57.692 56.287 -0.083 0.000 0.936 250 K CB -0.171 32.286 32.500 -0.071 0.000 0.722 250 K HN 0.638 nan 8.250 nan 0.000 0.446 251 Q N 0.713 120.507 119.800 -0.011 0.000 2.234 251 Q HA -0.058 4.282 4.340 -0.000 0.000 0.206 251 Q C 1.549 177.595 176.000 0.076 0.000 0.980 251 Q CA 0.834 56.659 55.803 0.037 0.000 0.869 251 Q CB 0.160 28.930 28.738 0.053 0.000 0.912 251 Q HN 0.284 nan 8.270 nan 0.000 0.436 252 L N -0.900 120.377 121.223 0.091 0.000 2.769 252 L HA 0.239 4.579 4.340 -0.000 0.000 0.240 252 L C 0.452 177.384 176.870 0.105 0.000 1.163 252 L CA 0.396 55.325 54.840 0.148 0.000 0.962 252 L CB 0.276 42.489 42.059 0.258 0.000 1.258 252 L HN 0.438 nan 8.230 nan 0.000 0.513 253 G N 1.026 109.855 108.800 0.050 0.000 2.249 253 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.273 253 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.273 253 G C 0.095 175.008 174.900 0.022 0.000 1.036 253 G CA 0.355 45.472 45.100 0.027 0.000 0.824 253 G HN 0.167 nan 8.290 nan 0.000 0.504 254 V N 1.003 120.920 119.914 0.007 0.000 2.488 254 V HA 0.255 4.375 4.120 -0.000 0.000 0.277 254 V C 1.428 177.511 176.094 -0.017 0.000 1.046 254 V CA -0.367 61.939 62.300 0.010 0.000 0.986 254 V CB 1.279 33.081 31.823 -0.035 0.000 0.989 254 V HN 0.605 nan 8.190 nan 0.000 0.475 255 R N 5.049 125.543 120.500 -0.009 0.000 2.484 255 R HA 0.188 4.528 4.340 -0.000 0.000 0.293 255 R C -0.416 175.901 176.300 0.028 0.000 1.023 255 R CA -0.287 55.789 56.100 -0.039 0.000 1.037 255 R CB 0.207 30.416 30.300 -0.151 0.000 0.951 255 R HN 0.713 nan 8.270 nan 0.000 0.418 256 I N 1.509 122.080 120.570 0.001 0.000 2.498 256 I HA 0.563 4.733 4.170 -0.000 0.000 0.301 256 I C 0.460 176.612 176.117 0.059 0.000 0.984 256 I CA -0.592 60.718 61.300 0.017 0.000 1.204 256 I CB 1.842 39.812 38.000 -0.051 0.000 1.362 256 I HN 0.576 nan 8.210 nan 0.000 0.471 257 G N 2.582 111.447 108.800 0.108 0.000 2.580 257 G HA2 0.239 4.199 3.960 -0.000 0.000 0.278 257 G HA3 0.239 4.199 3.960 -0.000 0.000 0.278 257 G C 0.292 175.228 174.900 0.059 0.000 1.212 257 G CA -0.302 44.888 45.100 0.149 0.000 0.939 257 G HN 0.791 nan 8.290 nan 0.000 0.513 258 E N -0.860 119.387 120.200 0.078 0.000 2.265 258 E HA -0.128 4.222 4.350 -0.000 0.000 0.196 258 E C 2.750 179.366 176.600 0.026 0.000 0.996 258 E CA 1.697 58.123 56.400 0.044 0.000 0.832 258 E CB -0.143 29.591 29.700 0.057 0.000 0.756 258 E HN 0.550 nan 8.360 nan 0.000 0.491 259 T N -4.505 110.069 114.554 0.033 0.000 3.023 259 T HA 0.140 4.490 4.350 -0.000 0.000 0.266 259 T C 1.677 176.314 174.700 -0.105 0.000 1.093 259 T CA 0.957 63.067 62.100 0.016 0.000 1.129 259 T CB 0.223 69.140 68.868 0.082 0.000 0.899 259 T HN 0.246 nan 8.240 nan 0.000 0.491 260 G N 1.068 109.790 108.800 -0.130 0.000 2.284 260 G HA2 0.015 3.975 3.960 -0.000 0.000 0.216 260 G HA3 0.015 3.975 3.960 -0.000 0.000 0.216 260 G C 0.416 175.136 174.900 -0.300 0.000 1.009 260 G CA -0.106 44.868 45.100 -0.210 0.000 0.625 260 G HN 1.079 nan 8.290 nan 0.000 0.501 261 A N 0.346 122.929 122.820 -0.395 0.000 2.249 261 A HA 0.752 5.072 4.320 -0.000 0.000 0.281 261 A C 0.691 178.190 177.584 -0.142 0.000 1.127 261 A CA -0.142 51.661 52.037 -0.390 0.000 0.833 261 A CB 0.185 18.859 19.000 -0.543 0.000 1.140 261 A HN 0.811 nan 8.150 nan 0.000 0.502 262 I N 0.093 120.612 120.570 -0.085 0.000 2.618 262 I HA -0.024 4.146 4.170 -0.000 0.000 0.284 262 I C 0.140 176.314 176.117 0.095 0.000 1.146 262 I CA 0.226 61.527 61.300 0.002 0.000 1.425 262 I CB 0.438 38.432 38.000 -0.009 0.000 1.383 262 I HN 0.754 nan 8.210 nan 0.000 0.562 263 W N 7.481 128.764 121.300 -0.028 0.000 2.181 263 W HA 0.259 4.919 4.660 -0.000 0.000 0.335 263 W C 0.256 176.787 176.519 0.020 0.000 1.310 263 W CA 0.553 57.900 57.345 0.003 0.000 1.226 263 W CB 0.798 30.257 29.460 -0.002 0.000 1.155 263 W HN 0.448 nan 8.180 nan 0.000 0.565 264 T N 4.431 118.553 114.554 -0.719 0.000 2.792 264 T HA 0.357 4.707 4.350 -0.000 0.000 0.303 264 T C -0.678 173.336 174.700 -1.143 0.000 1.310 264 T CA -0.793 60.929 62.100 -0.630 0.000 1.007 264 T CB 0.829 69.561 68.868 -0.228 0.000 1.335 264 T HN 0.608 nan 8.240 nan 0.000 0.504 265 N N 0.158 118.481 118.700 -0.628 0.000 3.002 265 N HA 0.427 5.167 4.740 -0.000 0.000 0.331 265 N C 0.776 176.219 175.510 -0.111 0.000 1.384 265 N CA -0.642 52.155 53.050 -0.422 0.000 0.780 265 N CB 0.132 38.492 38.487 -0.211 0.000 1.492 265 N HN 0.631 nan 8.380 nan 0.000 0.608 266 E N -0.366 119.847 120.200 0.021 0.000 2.130 266 E HA -0.153 4.197 4.350 -0.000 0.000 0.196 266 E C 0.433 177.144 176.600 0.186 0.000 0.998 266 E CA 1.237 57.737 56.400 0.167 0.000 0.806 266 E CB -0.106 29.765 29.700 0.286 0.000 0.738 266 E HN 0.484 nan 8.360 nan 0.000 0.459 267 K N -0.083 120.383 120.400 0.110 0.000 2.476 267 K HA 0.088 4.408 4.320 -0.000 0.000 0.196 267 K C -0.084 176.567 176.600 0.084 0.000 1.025 267 K CA -0.045 56.286 56.287 0.073 0.000 1.138 267 K CB 0.471 32.995 32.500 0.040 0.000 0.860 267 K HN 0.035 nan 8.250 nan 0.000 0.515 268 M N 0.128 119.745 119.600 0.029 0.000 2.751 268 M HA -0.230 4.250 4.480 -0.000 0.000 0.199 268 M C -0.848 175.392 176.300 -0.099 0.000 0.550 268 M CA 1.191 56.498 55.300 0.013 0.000 0.640 268 M CB -2.840 29.820 32.600 0.100 0.000 2.351 268 M HN 0.260 nan 8.290 nan 0.000 0.613 269 Q N 0.181 119.822 119.800 -0.264 0.000 2.235 269 Q HA 0.585 4.925 4.340 -0.000 0.000 0.250 269 Q C 1.109 177.077 176.000 -0.053 0.000 0.909 269 Q CA 0.032 55.578 55.803 -0.429 0.000 0.910 269 Q CB 1.398 29.898 28.738 -0.396 0.000 1.223 269 Q HN 0.504 nan 8.270 nan 0.000 0.432 270 T N -2.431 112.151 114.554 0.047 0.000 2.852 270 T HA 0.158 4.508 4.350 -0.000 0.000 0.281 270 T C 1.278 176.158 174.700 0.300 0.000 0.993 270 T CA -0.153 62.111 62.100 0.273 0.000 0.933 270 T CB 0.809 69.813 68.868 0.226 0.000 1.187 270 T HN 0.617 nan 8.240 nan 0.000 0.559 271 S N -0.906 114.939 115.700 0.242 0.000 2.474 271 S HA 0.064 4.534 4.470 -0.000 0.000 0.235 271 S C 0.725 175.369 174.600 0.073 0.000 0.997 271 S CA -0.118 58.114 58.200 0.054 0.000 0.949 271 S CB -0.587 62.562 63.200 -0.084 0.000 0.766 271 S HN 0.578 nan 8.310 nan 0.000 0.517 272 V N 2.378 122.366 119.914 0.124 0.000 2.439 272 V HA 0.319 4.439 4.120 -0.000 0.000 0.282 272 V C 0.355 176.549 176.094 0.167 0.000 1.039 272 V CA -0.974 61.413 62.300 0.144 0.000 0.913 272 V CB 1.415 33.352 31.823 0.189 0.000 0.983 272 V HN 0.397 nan 8.190 nan 0.000 0.460 273 E N 4.316 124.614 120.200 0.164 0.000 2.413 273 E HA -0.014 4.336 4.350 -0.000 0.000 0.263 273 E C 0.432 177.201 176.600 0.283 0.000 1.015 273 E CA 0.185 56.695 56.400 0.184 0.000 0.916 273 E CB 0.158 29.946 29.700 0.146 0.000 0.947 273 E HN 0.757 nan 8.360 nan 0.000 0.440 274 N N 1.127 120.035 118.700 0.347 0.000 2.753 274 N HA -0.177 4.563 4.740 -0.000 0.000 0.251 274 N C -1.257 174.595 175.510 0.570 0.000 1.097 274 N CA 0.911 54.291 53.050 0.550 0.000 0.786 274 N CB -1.077 37.652 38.487 0.404 0.000 1.137 274 N HN 0.161 nan 8.380 nan 0.000 0.566 275 V N 1.395 121.543 119.914 0.390 0.000 2.407 275 V HA 0.437 4.557 4.120 -0.000 0.000 0.291 275 V C -0.011 176.250 176.094 0.279 0.000 1.018 275 V CA -0.634 61.822 62.300 0.260 0.000 0.842 275 V CB 1.058 32.993 31.823 0.186 0.000 0.996 275 V HN 0.072 nan 8.190 nan 0.000 0.426 276 Y N 2.259 122.596 120.300 0.062 0.000 2.567 276 Y HA 0.845 5.395 4.550 -0.000 0.000 0.333 276 Y C 0.441 176.406 175.900 0.107 0.000 1.106 276 Y CA -0.949 57.199 58.100 0.080 0.000 1.157 276 Y CB 2.173 40.651 38.460 0.030 0.000 1.277 276 Y HN 0.681 nan 8.280 nan 0.000 0.490 277 A N 0.914 123.885 122.820 0.251 0.000 2.486 277 A HA 0.936 5.256 4.320 -0.000 0.000 0.300 277 A C -1.552 176.109 177.584 0.128 0.000 1.048 277 A CA -0.290 51.876 52.037 0.215 0.000 0.696 277 A CB 1.383 20.503 19.000 0.200 0.000 1.278 277 A HN 0.971 nan 8.150 nan 0.000 0.405 278 A N 0.394 123.275 122.820 0.102 0.000 2.608 278 A HA 1.019 5.339 4.320 -0.000 0.000 0.292 278 A C 0.265 177.877 177.584 0.046 0.000 1.066 278 A CA 0.338 52.398 52.037 0.037 0.000 0.676 278 A CB 0.603 19.602 19.000 -0.001 0.000 1.277 278 A HN 2.963 nan 8.150 nan 0.000 0.413 279 G N 0.506 109.317 108.800 0.018 0.000 2.548 279 G HA2 0.024 3.984 3.960 -0.000 0.000 0.208 279 G HA3 0.024 3.984 3.960 -0.000 0.000 0.208 279 G C -0.111 174.858 174.900 0.115 0.000 1.308 279 G CA 0.425 45.551 45.100 0.043 0.000 0.924 279 G HN 0.904 nan 8.290 nan 0.000 0.540 280 D N -0.092 120.392 120.400 0.140 0.000 2.384 280 D HA 0.033 4.673 4.640 -0.000 0.000 0.222 280 D C 2.460 179.010 176.300 0.416 0.000 0.976 280 D CA 1.321 55.482 54.000 0.269 0.000 0.915 280 D CB -0.064 40.851 40.800 0.192 0.000 0.896 280 D HN 0.493 nan 8.370 nan 0.000 0.523 281 V N -0.557 119.496 119.914 0.232 0.000 3.052 281 V HA 0.176 4.296 4.120 -0.000 0.000 0.254 281 V C 1.188 177.335 176.094 0.088 0.000 1.100 281 V CA 0.412 62.793 62.300 0.136 0.000 1.112 281 V CB -0.616 31.267 31.823 0.100 0.000 0.738 281 V HN 0.127 nan 8.190 nan 0.000 0.469 282 A N 0.626 123.538 122.820 0.153 0.000 2.295 282 A HA 0.605 4.925 4.320 -0.000 0.000 0.318 282 A C -0.075 177.621 177.584 0.188 0.000 1.134 282 A CA -0.467 51.638 52.037 0.113 0.000 0.827 282 A CB 0.822 19.872 19.000 0.083 0.000 1.136 282 A HN 0.416 nan 8.150 nan 0.000 0.493 283 E N 0.628 120.888 120.200 0.100 0.000 2.191 283 E HA 0.501 4.851 4.350 -0.000 0.000 0.278 283 E C -0.392 176.248 176.600 0.067 0.000 0.972 283 E CA -0.318 56.161 56.400 0.131 0.000 0.804 283 E CB 1.231 30.968 29.700 0.062 0.000 1.110 283 E HN 0.616 nan 8.360 nan 0.000 0.394 284 T N 2.429 117.055 114.554 0.119 0.000 2.807 284 T HA 0.447 4.797 4.350 -0.000 0.000 0.277 284 T C -0.883 173.856 174.700 0.065 0.000 1.006 284 T CA -0.756 61.400 62.100 0.093 0.000 1.006 284 T CB 1.151 70.138 68.868 0.198 0.000 1.274 284 T HN 0.552 nan 8.240 nan 0.000 0.569 285 R N 0.717 121.243 120.500 0.043 0.000 2.532 285 R HA 0.354 4.694 4.340 -0.000 0.000 0.295 285 R C -0.605 175.708 176.300 0.022 0.000 0.968 285 R CA -0.615 55.503 56.100 0.030 0.000 0.916 285 R CB 0.635 30.928 30.300 -0.011 0.000 1.124 285 R HN 0.696 nan 8.270 nan 0.000 0.463 286 H N 3.679 122.749 119.070 0.001 0.000 2.580 286 H HA 0.089 4.645 4.556 -0.000 0.000 0.322 286 H C 0.847 176.159 175.328 -0.026 0.000 1.082 286 H CA 0.022 56.067 56.048 -0.006 0.000 1.383 286 H CB 1.686 31.459 29.762 0.019 0.000 1.450 286 H HN 0.468 nan 8.280 nan 0.000 0.505 287 V N 6.002 125.822 119.914 -0.157 0.000 2.407 287 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 287 V C 2.229 178.376 176.094 0.089 0.000 1.055 287 V CA 1.744 64.005 62.300 -0.065 0.000 1.049 287 V CB -0.293 31.435 31.823 -0.159 0.000 0.662 287 V HN 0.695 nan 8.190 nan 0.000 0.455 288 I N -1.109 119.633 120.570 0.286 0.000 2.429 288 I HA -0.093 4.077 4.170 -0.000 0.000 0.247 288 I C 2.387 178.633 176.117 0.216 0.000 1.099 288 I CA 1.246 62.685 61.300 0.231 0.000 1.422 288 I CB -0.410 37.722 38.000 0.219 0.000 1.112 288 I HN 0.185 nan 8.210 nan 0.000 0.430 289 T N -0.172 114.512 114.554 0.217 0.000 2.978 289 T HA 0.076 4.426 4.350 -0.000 0.000 0.262 289 T C 1.548 176.307 174.700 0.098 0.000 1.063 289 T CA 1.173 63.336 62.100 0.104 0.000 1.140 289 T CB 0.023 68.843 68.868 -0.080 0.000 0.886 289 T HN 0.636 nan 8.240 nan 0.000 0.470 290 G N 1.566 110.445 108.800 0.132 0.000 2.184 290 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.264 290 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.264 290 G C 0.298 175.246 174.900 0.081 0.000 0.975 290 G CA 0.262 45.415 45.100 0.087 0.000 0.642 290 G HN 0.446 nan 8.290 nan 0.000 0.536 291 R N 0.330 120.883 120.500 0.087 0.000 2.500 291 R HA 0.600 4.940 4.340 -0.000 0.000 0.275 291 R C 0.757 177.119 176.300 0.104 0.000 1.051 291 R CA -0.729 55.418 56.100 0.078 0.000 1.088 291 R CB 0.421 30.750 30.300 0.048 0.000 1.063 291 R HN 0.120 nan 8.270 nan 0.000 0.511 292 R N 1.404 121.963 120.500 0.099 0.000 2.537 292 R HA 0.168 4.508 4.340 -0.000 0.000 0.280 292 R C -0.221 176.157 176.300 0.130 0.000 1.058 292 R CA -0.071 56.090 56.100 0.102 0.000 1.057 292 R CB 0.231 30.594 30.300 0.105 0.000 0.973 292 R HN 0.499 nan 8.270 nan 0.000 0.438 293 V N -0.692 119.316 119.914 0.156 0.000 3.130 293 V HA 0.619 4.739 4.120 -0.000 0.000 0.310 293 V C -1.551 174.705 176.094 0.271 0.000 1.158 293 V CA -1.285 61.136 62.300 0.201 0.000 1.029 293 V CB 2.666 34.621 31.823 0.220 0.000 1.057 293 V HN 0.817 nan 8.190 nan 0.000 0.436 294 W N 2.455 123.793 121.300 0.063 0.000 2.424 294 W HA 0.807 5.466 4.660 -0.000 0.000 0.318 294 W C -1.274 175.279 176.519 0.056 0.000 1.016 294 W CA -1.341 56.035 57.345 0.052 0.000 1.268 294 W CB 1.656 31.143 29.460 0.045 0.000 1.297 294 W HN 0.511 nan 8.180 nan 0.000 0.428 295 V N 8.719 128.515 119.914 -0.197 0.000 2.384 295 V HA 0.217 4.337 4.120 -0.000 0.000 0.257 295 V C -1.809 174.066 176.094 -0.365 0.000 0.969 295 V CA -1.421 60.703 62.300 -0.292 0.000 0.910 295 V CB 0.647 32.410 31.823 -0.099 0.000 1.150 295 V HN 0.420 nan 8.190 nan 0.000 0.481 296 P HA 0.217 nan 4.420 nan 0.000 0.262 296 P C -0.735 176.418 177.300 -0.245 0.000 1.455 296 P CA 0.457 63.314 63.100 -0.405 0.000 1.217 296 P CB 0.506 31.879 31.700 -0.546 0.000 1.625 297 L N 1.587 122.714 121.223 -0.160 0.000 2.422 297 L HA 0.486 4.826 4.340 -0.000 0.000 0.264 297 L C 1.558 178.377 176.870 -0.086 0.000 0.984 297 L CA -0.872 53.890 54.840 -0.131 0.000 0.819 297 L CB 1.695 43.667 42.059 -0.146 0.000 1.330 297 L HN 0.021 nan 8.230 nan 0.000 0.410 298 A N 3.016 125.790 122.820 -0.077 0.000 1.903 298 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 298 A C -0.762 176.790 177.584 -0.054 0.000 1.191 298 A CA 2.203 54.205 52.037 -0.059 0.000 0.638 298 A CB -1.584 17.382 19.000 -0.057 0.000 0.823 298 A HN 0.720 nan 8.150 nan 0.000 0.451 299 P HA -0.181 nan 4.420 nan 0.000 0.212 299 P C 1.855 179.133 177.300 -0.036 0.000 1.178 299 P CA 2.187 65.260 63.100 -0.044 0.000 0.915 299 P CB -0.232 31.444 31.700 -0.040 0.000 0.788 300 A N -0.380 122.430 122.820 -0.017 0.000 1.908 300 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 300 A C 2.509 180.018 177.584 -0.124 0.000 1.181 300 A CA 2.248 54.284 52.037 -0.002 0.000 0.627 300 A CB -1.966 17.076 19.000 0.071 0.000 0.818 300 A HN 0.292 nan 8.150 nan 0.000 0.445 301 G N 0.051 108.800 108.800 -0.086 0.000 2.491 301 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.218 301 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.218 301 G C 1.495 176.340 174.900 -0.091 0.000 1.180 301 G CA 1.064 46.114 45.100 -0.084 0.000 0.774 301 G HN 0.570 nan 8.290 nan 0.000 0.562 302 N N 0.723 119.382 118.700 -0.069 0.000 2.104 302 N HA -0.088 4.652 4.740 -0.000 0.000 0.190 302 N C 2.232 177.712 175.510 -0.050 0.000 1.024 302 N CA 1.255 54.276 53.050 -0.048 0.000 0.853 302 N CB -0.215 38.246 38.487 -0.045 0.000 1.008 302 N HN 0.400 nan 8.380 nan 0.000 0.424 303 K N 0.612 120.950 120.400 -0.103 0.000 2.057 303 K HA 0.029 4.349 4.320 -0.000 0.000 0.206 303 K C 2.221 178.694 176.600 -0.212 0.000 1.050 303 K CA 0.917 57.138 56.287 -0.111 0.000 0.935 303 K CB -0.122 32.330 32.500 -0.081 0.000 0.715 303 K HN 0.098 nan 8.250 nan 0.000 0.439 304 M N 0.240 119.570 119.600 -0.449 0.000 2.144 304 M HA -0.160 4.320 4.480 -0.000 0.000 0.260 304 M C 2.278 178.469 176.300 -0.183 0.000 1.067 304 M CA 1.859 56.863 55.300 -0.493 0.000 1.095 304 M CB -0.497 31.846 32.600 -0.427 0.000 1.365 304 M HN 0.390 nan 8.290 nan 0.000 0.406 305 G N -1.340 107.400 108.800 -0.100 0.000 2.394 305 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.215 305 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.215 305 G C 1.313 176.201 174.900 -0.020 0.000 1.165 305 G CA 0.474 45.548 45.100 -0.043 0.000 0.784 305 G HN 0.458 nan 8.290 nan 0.000 0.535 306 Y N 1.692 121.924 120.300 -0.113 0.000 2.128 306 Y HA -0.221 4.329 4.550 -0.000 0.000 0.284 306 Y C 2.846 178.693 175.900 -0.088 0.000 1.154 306 Y CA 2.320 60.364 58.100 -0.094 0.000 1.149 306 Y CB -0.213 38.202 38.460 -0.076 0.000 0.976 306 Y HN 0.125 nan 8.280 nan 0.000 0.505 307 V N -1.271 118.682 119.914 0.065 0.000 2.719 307 V HA -0.003 4.117 4.120 -0.000 0.000 0.252 307 V C 2.157 178.224 176.094 -0.045 0.000 1.065 307 V CA 1.457 63.760 62.300 0.006 0.000 1.086 307 V CB -1.330 30.555 31.823 0.104 0.000 0.700 307 V HN 0.405 nan 8.190 nan 0.000 0.467 308 A N 1.362 124.163 122.820 -0.033 0.000 1.898 308 A HA 0.130 4.450 4.320 -0.000 0.000 0.216 308 A C 2.375 179.789 177.584 -0.283 0.000 1.181 308 A CA 1.680 53.715 52.037 -0.002 0.000 0.620 308 A CB -1.440 17.598 19.000 0.064 0.000 0.819 308 A HN 0.700 nan 8.150 nan 0.000 0.442 309 G N -0.691 107.949 108.800 -0.268 0.000 2.422 309 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.218 309 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.218 309 G C 1.792 176.467 174.900 -0.374 0.000 1.146 309 G CA 1.307 46.207 45.100 -0.334 0.000 0.769 309 G HN 0.478 nan 8.290 nan 0.000 0.547 310 S N 1.029 116.507 115.700 -0.370 0.000 2.345 310 S HA -0.112 4.358 4.470 -0.000 0.000 0.220 310 S C 2.267 176.719 174.600 -0.247 0.000 1.031 310 S CA 0.949 58.946 58.200 -0.338 0.000 0.996 310 S CB -0.295 62.712 63.200 -0.321 0.000 0.882 310 S HN 0.394 nan 8.310 nan 0.000 0.445 311 N N 1.291 119.886 118.700 -0.175 0.000 2.289 311 N HA 0.039 4.779 4.740 -0.000 0.000 0.184 311 N C 1.633 177.046 175.510 -0.161 0.000 1.016 311 N CA 0.820 53.823 53.050 -0.078 0.000 0.872 311 N CB -0.271 38.295 38.487 0.131 0.000 0.973 311 N HN 0.392 nan 8.380 nan 0.000 0.433 312 I N 1.028 121.346 120.570 -0.420 0.000 2.353 312 I HA -0.151 4.019 4.170 -0.000 0.000 0.248 312 I C 1.991 177.847 176.117 -0.434 0.000 1.119 312 I CA 0.589 61.511 61.300 -0.631 0.000 1.417 312 I CB -0.134 37.375 38.000 -0.820 0.000 1.078 312 I HN 0.018 nan 8.210 nan 0.000 0.421 313 A N 0.035 122.620 122.820 -0.390 0.000 2.235 313 A HA 0.253 4.573 4.320 -0.000 0.000 0.208 313 A C 1.820 179.255 177.584 -0.248 0.000 1.172 313 A CA 0.954 52.725 52.037 -0.443 0.000 0.786 313 A CB -0.594 18.108 19.000 -0.498 0.000 0.804 313 A HN 0.594 nan 8.150 nan 0.000 0.479 314 G N -0.990 107.726 108.800 -0.138 0.000 2.232 314 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.226 314 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.226 314 G C 0.197 175.060 174.900 -0.061 0.000 0.996 314 G CA 0.061 45.130 45.100 -0.053 0.000 0.626 314 G HN 0.408 nan 8.290 nan 0.000 0.509 315 K N 1.794 122.130 120.400 -0.107 0.000 2.284 315 K HA 0.279 4.598 4.320 -0.000 0.000 0.287 315 K C 0.041 176.589 176.600 -0.086 0.000 1.081 315 K CA -0.370 55.862 56.287 -0.091 0.000 0.910 315 K CB 1.191 33.619 32.500 -0.119 0.000 1.088 315 K HN 0.404 nan 8.250 nan 0.000 0.478 316 E N 2.737 122.898 120.200 -0.064 0.000 2.366 316 E HA 0.041 4.391 4.350 -0.000 0.000 0.266 316 E C -0.753 175.759 176.600 -0.147 0.000 1.015 316 E CA 0.034 56.367 56.400 -0.111 0.000 0.906 316 E CB 0.561 30.218 29.700 -0.073 0.000 0.979 316 E HN 0.208 nan 8.360 nan 0.000 0.443 317 L N 4.509 125.595 121.223 -0.229 0.000 2.472 317 L HA 0.304 4.644 4.340 -0.000 0.000 0.260 317 L C -1.380 175.345 176.870 -0.242 0.000 0.963 317 L CA -0.554 54.203 54.840 -0.138 0.000 0.829 317 L CB 1.921 43.970 42.059 -0.017 0.000 1.348 317 L HN 0.500 nan 8.230 nan 0.000 0.408 318 H N 3.566 122.701 119.070 0.107 0.000 2.495 318 H HA 0.384 4.940 4.556 -0.000 0.000 0.348 318 H C -1.413 174.020 175.328 0.174 0.000 1.113 318 H CA -0.404 55.714 56.048 0.116 0.000 1.195 318 H CB 2.061 31.863 29.762 0.067 0.000 1.521 318 H HN 0.505 nan 8.280 nan 0.000 0.509 319 F N 5.916 125.946 119.950 0.133 0.000 2.405 319 F HA 0.261 4.788 4.527 -0.000 0.000 0.355 319 F C -1.519 174.312 175.800 0.052 0.000 1.121 319 F CA -2.773 55.269 58.000 0.071 0.000 1.112 319 F CB 1.193 40.218 39.000 0.041 0.000 1.126 319 F HN 0.324 nan 8.300 nan 0.000 0.481 320 P HA 0.172 nan 4.420 nan 0.000 0.223 320 P C 0.318 177.307 177.300 -0.518 0.000 1.151 320 P CA 1.344 64.214 63.100 -0.384 0.000 0.787 320 P CB 0.251 31.773 31.700 -0.295 0.000 0.788 321 G N -0.777 107.389 108.800 -1.057 0.000 2.373 321 G HA2 0.126 4.086 3.960 -0.000 0.000 0.634 321 G HA3 0.126 4.086 3.960 -0.000 0.000 0.634 321 G C -0.905 173.659 174.900 -0.561 0.000 1.267 321 G CA -0.402 44.316 45.100 -0.638 0.000 1.008 321 G HN 0.289 nan 8.290 nan 0.000 0.497 322 V N -2.534 117.202 119.914 -0.296 0.000 3.019 322 V HA 0.873 4.993 4.120 -0.000 0.000 0.317 322 V C 0.896 176.701 176.094 -0.481 0.000 1.094 322 V CA -0.633 61.507 62.300 -0.267 0.000 1.000 322 V CB 1.756 33.514 31.823 -0.108 0.000 1.060 322 V HN 1.223 nan 8.190 nan 0.000 0.443 323 L N 1.718 122.727 121.223 -0.358 0.000 2.638 323 L HA 0.603 4.943 4.340 -0.000 0.000 0.232 323 L C 1.676 178.425 176.870 -0.202 0.000 1.099 323 L CA 1.565 56.192 54.840 -0.356 0.000 0.883 323 L CB 0.090 42.048 42.059 -0.168 0.000 1.136 323 L HN 1.361 nan 8.230 nan 0.000 0.492 324 G N -0.319 108.390 108.800 -0.151 0.000 2.132 324 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.228 324 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.228 324 G C 0.442 175.307 174.900 -0.058 0.000 1.000 324 G CA 0.376 45.450 45.100 -0.042 0.000 0.693 324 G HN 0.282 nan 8.290 nan 0.000 0.515 325 T N 1.049 115.561 114.554 -0.070 0.000 2.829 325 T HA 0.529 4.879 4.350 -0.000 0.000 0.293 325 T C 0.538 175.193 174.700 -0.075 0.000 0.970 325 T CA 1.124 63.191 62.100 -0.056 0.000 1.168 325 T CB 1.331 70.167 68.868 -0.054 0.000 0.911 325 T HN 1.641 nan 8.240 nan 0.000 0.535 326 A N 2.986 125.773 122.820 -0.054 0.000 2.572 326 A HA 0.838 5.158 4.320 -0.000 0.000 0.295 326 A C -1.120 176.471 177.584 0.013 0.000 1.072 326 A CA -0.744 51.235 52.037 -0.096 0.000 0.691 326 A CB 2.114 21.009 19.000 -0.174 0.000 1.291 326 A HN 0.736 nan 8.150 nan 0.000 0.404 327 V N 0.628 120.514 119.914 -0.046 0.000 2.817 327 V HA 0.825 4.945 4.120 -0.000 0.000 0.303 327 V C -0.579 175.514 176.094 -0.002 0.000 1.151 327 V CA 0.643 62.964 62.300 0.035 0.000 0.929 327 V CB 2.045 33.879 31.823 0.019 0.000 1.030 327 V HN 1.559 nan 8.190 nan 0.000 0.427 328 T N 4.832 119.422 114.554 0.059 0.000 2.671 328 T HA 0.795 5.145 4.350 -0.000 0.000 0.300 328 T C -1.688 173.039 174.700 0.046 0.000 1.238 328 T CA -0.085 62.047 62.100 0.054 0.000 1.020 328 T CB 1.946 70.900 68.868 0.143 0.000 1.503 328 T HN 1.135 nan 8.240 nan 0.000 0.497 329 K N 0.217 120.645 120.400 0.047 0.000 2.607 329 K HA 0.675 4.995 4.320 -0.000 0.000 0.287 329 K C -2.141 174.506 176.600 0.078 0.000 0.996 329 K CA -0.990 55.322 56.287 0.043 0.000 0.876 329 K CB 1.178 33.678 32.500 -0.000 0.000 1.496 329 K HN 0.433 nan 8.250 nan 0.000 0.415 330 F N 4.156 124.078 119.950 -0.047 0.000 2.496 330 F HA 0.449 4.976 4.527 -0.000 0.000 0.341 330 F C 0.530 176.285 175.800 -0.074 0.000 1.134 330 F CA -0.312 57.653 58.000 -0.059 0.000 0.968 330 F CB 0.875 39.842 39.000 -0.055 0.000 1.205 330 F HN 0.884 nan 8.300 nan 0.000 0.436 331 M N 1.728 120.927 119.600 -0.670 0.000 7.319 331 M HA -0.373 4.107 4.480 -0.000 0.000 0.292 331 M C 0.638 176.823 176.300 -0.192 0.000 0.480 331 M CA 2.322 57.346 55.300 -0.459 0.000 1.311 331 M CB -0.961 31.334 32.600 -0.507 0.000 0.421 331 M HN 0.669 nan 8.290 nan 0.000 0.545 332 D N 0.833 121.174 120.400 -0.099 0.000 2.368 332 D HA 0.318 4.958 4.640 -0.000 0.000 0.218 332 D C 0.014 176.329 176.300 0.025 0.000 1.112 332 D CA 0.199 54.180 54.000 -0.031 0.000 0.834 332 D CB 0.094 40.885 40.800 -0.016 0.000 0.953 332 D HN 0.257 nan 8.370 nan 0.000 0.505 333 V N 0.761 120.705 119.914 0.050 0.000 2.357 333 V HA 0.320 4.440 4.120 -0.000 0.000 0.284 333 V C -0.663 175.469 176.094 0.063 0.000 1.018 333 V CA -0.568 61.782 62.300 0.083 0.000 0.841 333 V CB 1.263 33.149 31.823 0.105 0.000 0.991 333 V HN 0.023 nan 8.190 nan 0.000 0.437 334 E N 6.071 126.305 120.200 0.056 0.000 2.250 334 E HA 0.629 4.979 4.350 -0.000 0.000 0.269 334 E C -0.746 175.868 176.600 0.023 0.000 1.018 334 E CA -0.674 55.748 56.400 0.038 0.000 0.873 334 E CB 2.886 32.609 29.700 0.039 0.000 1.134 334 E HN 0.686 nan 8.360 nan 0.000 0.403 335 I N 0.455 121.022 120.570 -0.006 0.000 2.644 335 I HA 0.571 4.741 4.170 -0.000 0.000 0.291 335 I C -1.019 175.122 176.117 0.039 0.000 1.180 335 I CA -0.197 61.053 61.300 -0.083 0.000 1.040 335 I CB 1.630 39.429 38.000 -0.334 0.000 1.255 335 I HN 0.661 nan 8.210 nan 0.000 0.422 336 G N 5.994 114.913 108.800 0.199 0.000 2.682 336 G HA2 0.715 4.674 3.960 -0.000 0.000 0.290 336 G HA3 0.715 4.674 3.960 -0.000 0.000 0.290 336 G C -2.076 173.119 174.900 0.493 0.000 1.425 336 G CA -0.682 44.636 45.100 0.363 0.000 0.807 336 G HN 0.737 nan 8.290 nan 0.000 0.482 337 K N -1.761 118.809 120.400 0.283 0.000 2.578 337 K HA 0.797 5.117 4.320 -0.000 0.000 0.287 337 K C -1.800 174.823 176.600 0.038 0.000 1.010 337 K CA -0.915 55.449 56.287 0.129 0.000 0.889 337 K CB 2.093 34.536 32.500 -0.095 0.000 1.514 337 K HN 0.823 nan 8.250 nan 0.000 0.424 338 T N -0.441 114.123 114.554 0.017 0.000 3.579 338 T HA 0.558 4.908 4.350 -0.000 0.000 0.360 338 T C -0.262 174.447 174.700 0.015 0.000 1.285 338 T CA 0.795 62.897 62.100 0.002 0.000 1.127 338 T CB 0.748 69.616 68.868 -0.001 0.000 1.244 338 T HN 1.566 nan 8.240 nan 0.000 0.476 339 G N 2.970 111.793 108.800 0.039 0.000 2.587 339 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.212 339 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.212 339 G C -1.140 173.799 174.900 0.065 0.000 1.327 339 G CA -0.412 44.739 45.100 0.085 0.000 0.898 339 G HN 0.980 nan 8.290 nan 0.000 0.551 340 L N 0.480 121.713 121.223 0.018 0.000 2.334 340 L HA 0.588 4.928 4.340 -0.000 0.000 0.277 340 L C 1.316 178.166 176.870 -0.033 0.000 1.075 340 L CA -0.378 54.443 54.840 -0.032 0.000 0.804 340 L CB 1.528 43.548 42.059 -0.064 0.000 1.174 340 L HN 0.786 nan 8.230 nan 0.000 0.438 341 T N -0.114 114.415 114.554 -0.042 0.000 2.874 341 T HA 0.024 4.374 4.350 -0.000 0.000 0.281 341 T C 1.053 175.741 174.700 -0.020 0.000 0.994 341 T CA -0.287 61.793 62.100 -0.033 0.000 1.015 341 T CB 1.104 69.938 68.868 -0.056 0.000 1.028 341 T HN 0.791 nan 8.240 nan 0.000 0.523 342 E N 1.583 121.776 120.200 -0.013 0.000 2.204 342 E HA -0.125 4.225 4.350 -0.000 0.000 0.195 342 E C 1.931 178.529 176.600 -0.004 0.000 0.990 342 E CA 1.164 57.559 56.400 -0.009 0.000 0.821 342 E CB -0.027 29.664 29.700 -0.014 0.000 0.750 342 E HN 0.680 nan 8.360 nan 0.000 0.477 343 M N 0.044 119.637 119.600 -0.011 0.000 2.077 343 M HA -0.159 4.321 4.480 -0.000 0.000 0.261 343 M C 2.141 178.441 176.300 -0.001 0.000 1.070 343 M CA 1.592 56.887 55.300 -0.008 0.000 1.125 343 M CB -0.240 32.352 32.600 -0.014 0.000 1.339 343 M HN 0.029 nan 8.290 nan 0.000 0.409 344 E N 0.542 120.737 120.200 -0.009 0.000 2.085 344 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 344 E C 2.085 178.707 176.600 0.036 0.000 0.994 344 E CA 1.383 57.779 56.400 -0.006 0.000 0.801 344 E CB -0.208 29.470 29.700 -0.037 0.000 0.743 344 E HN 0.506 nan 8.360 nan 0.000 0.453 345 A N 0.850 123.701 122.820 0.051 0.000 1.933 345 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 345 A C 2.155 179.848 177.584 0.182 0.000 1.175 345 A CA 1.144 53.268 52.037 0.145 0.000 0.628 345 A CB -0.563 18.457 19.000 0.034 0.000 0.814 345 A HN 0.141 nan 8.150 nan 0.000 0.444 346 L N -1.399 119.875 121.223 0.085 0.000 2.072 346 L HA -0.111 4.229 4.340 -0.000 0.000 0.205 346 L C 2.515 179.407 176.870 0.038 0.000 1.079 346 L CA 1.584 56.461 54.840 0.062 0.000 0.752 346 L CB -0.313 41.765 42.059 0.031 0.000 0.906 346 L HN 0.239 nan 8.230 nan 0.000 0.436 347 K N -0.138 120.278 120.400 0.026 0.000 2.280 347 K HA -0.146 4.174 4.320 -0.000 0.000 0.202 347 K C 1.939 178.532 176.600 -0.011 0.000 1.047 347 K CA 0.904 57.193 56.287 0.005 0.000 0.942 347 K CB 0.137 32.638 32.500 0.001 0.000 0.739 347 K HN 0.144 nan 8.250 nan 0.000 0.457 348 E N -1.453 118.746 120.200 -0.002 0.000 2.385 348 E HA 0.062 4.411 4.350 -0.000 0.000 0.194 348 E C 1.079 177.574 176.600 -0.174 0.000 1.013 348 E CA 0.917 57.269 56.400 -0.080 0.000 0.866 348 E CB 0.668 30.333 29.700 -0.060 0.000 0.832 348 E HN 0.425 nan 8.360 nan 0.000 0.500 349 G N 0.466 109.211 108.800 -0.092 0.000 2.184 349 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.206 349 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.206 349 G C -0.105 174.748 174.900 -0.078 0.000 0.995 349 G CA -0.198 44.841 45.100 -0.102 0.000 0.651 349 G HN 0.150 nan 8.290 nan 0.000 0.511 350 Y N 1.156 121.450 120.300 -0.010 0.000 2.457 350 Y HA 0.435 4.985 4.550 -0.000 0.000 0.341 350 Y C 0.798 176.696 175.900 -0.005 0.000 1.240 350 Y CA 0.140 58.236 58.100 -0.006 0.000 1.437 350 Y CB 0.623 39.079 38.460 -0.007 0.000 1.328 350 Y HN 0.135 nan 8.280 nan 0.000 0.588 351 D N 2.275 122.786 120.400 0.184 0.000 2.396 351 D HA 0.327 4.967 4.640 -0.000 0.000 0.225 351 D C -1.043 175.307 176.300 0.083 0.000 1.121 351 D CA -0.331 53.726 54.000 0.096 0.000 0.853 351 D CB 0.317 41.157 40.800 0.067 0.000 1.043 351 D HN 0.359 nan 8.370 nan 0.000 0.500 352 V N 2.170 122.119 119.914 0.059 0.000 2.769 352 V HA 0.820 4.940 4.120 -0.000 0.000 0.312 352 V C -0.602 175.499 176.094 0.012 0.000 1.058 352 V CA -0.985 61.330 62.300 0.024 0.000 0.952 352 V CB 1.794 33.626 31.823 0.014 0.000 1.019 352 V HN 0.615 nan 8.190 nan 0.000 0.445 353 R N 1.685 122.185 120.500 0.000 0.000 2.744 353 R HA 0.899 5.239 4.340 -0.000 0.000 0.279 353 R C -0.659 175.643 176.300 0.004 0.000 0.977 353 R CA -0.031 56.071 56.100 0.003 0.000 0.906 353 R CB 2.121 32.421 30.300 -0.001 0.000 1.197 353 R HN 0.980 nan 8.270 nan 0.000 0.463 354 T N -1.187 113.376 114.554 0.014 0.000 2.887 354 T HA 0.894 5.244 4.350 -0.000 0.000 0.292 354 T C -0.726 174.004 174.700 0.049 0.000 1.087 354 T CA -0.755 61.363 62.100 0.030 0.000 1.009 354 T CB 2.015 70.901 68.868 0.031 0.000 1.203 354 T HN 0.915 nan 8.240 nan 0.000 0.518 355 A N 0.620 123.491 122.820 0.085 0.000 2.594 355 A HA 0.803 5.123 4.320 -0.000 0.000 0.295 355 A C -1.984 175.737 177.584 0.229 0.000 1.071 355 A CA -0.811 51.294 52.037 0.113 0.000 0.685 355 A CB 1.681 20.718 19.000 0.061 0.000 1.285 355 A HN 1.039 nan 8.150 nan 0.000 0.405 356 F N 2.391 122.366 119.950 0.041 0.000 2.671 356 F HA 0.656 5.183 4.527 -0.000 0.000 0.332 356 F C -0.775 175.080 175.800 0.091 0.000 1.189 356 F CA -1.184 56.862 58.000 0.076 0.000 0.988 356 F CB 1.236 40.282 39.000 0.076 0.000 1.258 356 F HN 0.687 nan 8.300 nan 0.000 0.471 357 I N 2.339 122.748 120.570 -0.268 0.000 2.846 357 I HA 0.638 4.808 4.170 -0.000 0.000 0.307 357 I C -1.407 174.483 176.117 -0.378 0.000 1.053 357 I CA -1.031 60.110 61.300 -0.265 0.000 1.050 357 I CB 2.262 40.174 38.000 -0.146 0.000 1.239 357 I HN 0.569 nan 8.210 nan 0.000 0.439 358 K N 3.078 123.267 120.400 -0.351 0.000 2.259 358 K HA 0.891 5.211 4.320 -0.000 0.000 0.252 358 K C -1.269 175.075 176.600 -0.426 0.000 0.936 358 K CA -0.518 55.423 56.287 -0.578 0.000 0.810 358 K CB 2.015 34.180 32.500 -0.558 0.000 1.143 358 K HN 1.001 nan 8.250 nan 0.000 0.427 359 A N 1.371 123.910 122.820 -0.469 0.000 2.568 359 A HA 0.534 4.854 4.320 -0.000 0.000 0.291 359 A C -1.450 175.946 177.584 -0.312 0.000 1.159 359 A CA -0.718 51.133 52.037 -0.310 0.000 0.679 359 A CB 1.547 20.426 19.000 -0.202 0.000 1.285 359 A HN 0.574 nan 8.150 nan 0.000 0.428 360 S N -1.195 114.373 115.700 -0.219 0.000 2.593 360 S HA 0.495 4.965 4.470 -0.000 0.000 0.297 360 S C 0.923 175.456 174.600 -0.112 0.000 1.112 360 S CA 0.485 58.581 58.200 -0.174 0.000 1.043 360 S CB 1.506 64.621 63.200 -0.142 0.000 1.054 360 S HN 0.989 nan 8.310 nan 0.000 0.516 361 T N 2.236 116.737 114.554 -0.089 0.000 3.055 361 T HA 0.229 4.579 4.350 -0.000 0.000 0.265 361 T C 0.467 175.139 174.700 -0.046 0.000 1.111 361 T CA 1.069 63.136 62.100 -0.055 0.000 1.118 361 T CB -0.202 68.640 68.868 -0.044 0.000 0.909 361 T HN 0.474 nan 8.240 nan 0.000 0.501 362 R N 0.284 120.755 120.500 -0.049 0.000 2.869 362 R HA 0.530 4.870 4.340 -0.000 0.000 0.263 362 R C -3.015 173.254 176.300 -0.052 0.000 1.066 362 R CA -2.281 53.781 56.100 -0.063 0.000 0.960 362 R CB 0.929 31.208 30.300 -0.035 0.000 1.221 362 R HN -0.098 nan 8.270 nan 0.000 0.474 363 P HA 0.110 nan 4.420 nan 0.000 0.276 363 P C -1.030 176.240 177.300 -0.050 0.000 1.253 363 P CA -0.164 62.905 63.100 -0.051 0.000 0.766 363 P CB 0.263 31.859 31.700 -0.174 0.000 0.845 364 H N 4.371 123.431 119.070 -0.017 0.000 3.082 364 H HA 0.116 4.672 4.556 -0.000 0.000 0.275 364 H C 0.329 175.763 175.328 0.176 0.000 1.032 364 H CA -0.309 55.755 56.048 0.026 0.000 1.477 364 H CB -0.548 29.241 29.762 0.044 0.000 1.520 364 H HN 0.762 nan 8.280 nan 0.000 0.521 365 Y N 1.081 121.457 120.300 0.128 0.000 2.698 365 Y HA -0.071 4.479 4.550 -0.000 0.000 0.346 365 Y C -0.639 175.311 175.900 0.084 0.000 1.094 365 Y CA -0.566 57.559 58.100 0.041 0.000 1.397 365 Y CB -1.236 37.243 38.460 0.032 0.000 1.260 365 Y HN 0.439 nan 8.280 nan 0.000 0.509 366 Y N 7.658 127.603 120.300 -0.590 0.000 2.712 366 Y HA 0.417 4.967 4.550 -0.000 0.000 0.333 366 Y C -1.939 173.871 175.900 -0.150 0.000 1.225 366 Y CA -1.180 56.710 58.100 -0.350 0.000 1.499 366 Y CB 0.520 38.646 38.460 -0.558 0.000 1.288 366 Y HN 0.181 nan 8.280 nan 0.000 0.575 367 P HA 0.134 nan 4.420 nan 0.000 0.272 367 P C 0.409 177.691 177.300 -0.030 0.000 1.223 367 P CA 0.987 63.965 63.100 -0.204 0.000 0.784 367 P CB 1.024 32.544 31.700 -0.300 0.000 0.923 368 G N 0.723 109.516 108.800 -0.012 0.000 2.176 368 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.253 368 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.253 368 G C 0.596 175.510 174.900 0.024 0.000 0.979 368 G CA -0.026 45.083 45.100 0.015 0.000 0.641 368 G HN 0.911 nan 8.290 nan 0.000 0.530 369 G N 0.259 109.079 108.800 0.032 0.000 2.305 369 G HA2 0.451 4.411 3.960 -0.000 0.000 0.243 369 G HA3 0.451 4.411 3.960 -0.000 0.000 0.243 369 G C 0.262 175.155 174.900 -0.011 0.000 1.288 369 G CA 0.029 45.134 45.100 0.008 0.000 0.901 369 G HN 0.419 nan 8.290 nan 0.000 0.516 370 R N 1.412 121.894 120.500 -0.030 0.000 2.892 370 R HA 0.286 4.626 4.340 -0.000 0.000 0.265 370 R C -0.025 176.216 176.300 -0.098 0.000 1.025 370 R CA -0.779 55.300 56.100 -0.035 0.000 0.982 370 R CB 1.729 32.025 30.300 -0.005 0.000 1.185 370 R HN 0.709 nan 8.270 nan 0.000 0.484 371 E N 1.234 121.352 120.200 -0.137 0.000 2.383 371 E HA 0.275 4.625 4.350 -0.000 0.000 0.264 371 E C -0.248 176.155 176.600 -0.328 0.000 1.050 371 E CA 0.066 56.235 56.400 -0.385 0.000 0.896 371 E CB 1.086 30.433 29.700 -0.589 0.000 0.982 371 E HN 0.317 nan 8.360 nan 0.000 0.424 372 I N 1.924 122.193 120.570 -0.501 0.000 2.692 372 I HA 0.327 4.497 4.170 -0.000 0.000 0.293 372 I C -1.573 174.348 176.117 -0.327 0.000 1.200 372 I CA -0.613 60.570 61.300 -0.196 0.000 1.036 372 I CB 1.208 39.149 38.000 -0.099 0.000 1.258 372 I HN 0.523 nan 8.210 nan 0.000 0.421 373 W N 7.634 128.898 121.300 -0.060 0.000 2.736 373 W HA 0.586 5.246 4.660 -0.000 0.000 0.335 373 W C -1.566 174.914 176.519 -0.066 0.000 1.059 373 W CA -0.721 56.533 57.345 -0.153 0.000 1.226 373 W CB 2.097 31.476 29.460 -0.136 0.000 1.416 373 W HN 0.171 nan 8.180 nan 0.000 0.505 374 L N 2.649 123.917 121.223 0.075 0.000 2.410 374 L HA 0.365 4.705 4.340 -0.000 0.000 0.270 374 L C -0.247 176.797 176.870 0.291 0.000 0.983 374 L CA -0.660 54.279 54.840 0.164 0.000 0.822 374 L CB 1.768 43.878 42.059 0.085 0.000 1.285 374 L HN 0.145 nan 8.230 nan 0.000 0.409 375 K N 1.368 122.007 120.400 0.398 0.000 2.244 375 K HA 0.855 5.175 4.320 -0.000 0.000 0.260 375 K C -0.480 176.248 176.600 0.214 0.000 0.951 375 K CA -0.311 56.227 56.287 0.419 0.000 0.826 375 K CB 1.832 34.522 32.500 0.316 0.000 1.108 375 K HN 0.665 nan 8.250 nan 0.000 0.433 376 G N 1.825 110.724 108.800 0.164 0.000 2.617 376 G HA2 0.597 4.557 3.960 -0.000 0.000 0.306 376 G HA3 0.597 4.557 3.960 -0.000 0.000 0.306 376 G C -1.565 173.370 174.900 0.059 0.000 1.360 376 G CA -0.649 44.509 45.100 0.096 0.000 0.983 376 G HN 0.426 nan 8.290 nan 0.000 0.496 377 V N 1.892 121.822 119.914 0.027 0.000 2.487 377 V HA 0.615 4.735 4.120 -0.000 0.000 0.298 377 V C -0.297 175.774 176.094 -0.038 0.000 1.028 377 V CA -0.705 61.590 62.300 -0.008 0.000 0.860 377 V CB 1.455 33.264 31.823 -0.023 0.000 0.991 377 V HN 0.591 nan 8.190 nan 0.000 0.427 378 V N 2.563 122.450 119.914 -0.044 0.000 2.769 378 V HA 0.457 4.577 4.120 -0.000 0.000 0.312 378 V C -0.479 175.563 176.094 -0.087 0.000 1.061 378 V CA -0.692 61.572 62.300 -0.061 0.000 0.931 378 V CB 2.364 34.170 31.823 -0.028 0.000 1.010 378 V HN 0.910 nan 8.190 nan 0.000 0.433 379 D N 2.763 123.092 120.400 -0.117 0.000 2.336 379 D HA 0.046 4.686 4.640 -0.000 0.000 0.249 379 D C 0.995 177.285 176.300 -0.016 0.000 1.213 379 D CA 0.349 54.291 54.000 -0.097 0.000 0.870 379 D CB 0.573 41.304 40.800 -0.114 0.000 1.076 379 D HN 0.600 nan 8.370 nan 0.000 0.483 380 N N 2.911 121.616 118.700 0.009 0.000 2.348 380 N HA -0.148 4.592 4.740 -0.000 0.000 0.185 380 N C 0.680 176.203 175.510 0.021 0.000 1.019 380 N CA 0.834 53.892 53.050 0.014 0.000 0.880 380 N CB 0.407 38.906 38.487 0.020 0.000 0.965 380 N HN 0.579 nan 8.380 nan 0.000 0.437 381 E N -1.207 119.017 120.200 0.039 0.000 2.318 381 E HA -0.025 4.325 4.350 -0.000 0.000 0.193 381 E C 1.312 177.933 176.600 0.034 0.000 0.998 381 E CA 1.011 57.435 56.400 0.040 0.000 0.859 381 E CB 0.353 30.087 29.700 0.057 0.000 0.812 381 E HN 0.423 nan 8.360 nan 0.000 0.492 382 T N -3.077 111.497 114.554 0.033 0.000 3.003 382 T HA 0.159 4.509 4.350 -0.000 0.000 0.261 382 T C 0.530 175.240 174.700 0.016 0.000 1.003 382 T CA -0.052 62.065 62.100 0.029 0.000 0.917 382 T CB 0.147 69.040 68.868 0.042 0.000 1.084 382 T HN -0.024 nan 8.240 nan 0.000 0.522 383 N N 0.653 119.357 118.700 0.006 0.000 2.800 383 N HA -0.163 4.577 4.740 -0.000 0.000 0.250 383 N C 0.032 175.544 175.510 0.003 0.000 1.078 383 N CA 0.711 53.760 53.050 -0.002 0.000 0.804 383 N CB -1.146 37.339 38.487 -0.003 0.000 1.135 383 N HN 0.634 nan 8.380 nan 0.000 0.565 384 R N 0.758 121.259 120.500 0.001 0.000 2.390 384 R HA 0.358 4.698 4.340 -0.000 0.000 0.291 384 R C -0.313 175.979 176.300 -0.014 0.000 1.070 384 R CA -0.593 55.513 56.100 0.010 0.000 1.014 384 R CB 0.407 30.714 30.300 0.012 0.000 1.007 384 R HN 0.174 nan 8.270 nan 0.000 0.466 385 L N 5.782 127.019 121.223 0.023 0.000 2.369 385 L HA 0.105 4.445 4.340 -0.000 0.000 0.279 385 L C 0.325 177.179 176.870 -0.026 0.000 1.108 385 L CA 0.541 55.389 54.840 0.013 0.000 0.852 385 L CB 0.812 42.910 42.059 0.065 0.000 1.169 385 L HN 0.816 nan 8.230 nan 0.000 0.452 386 L N 4.621 125.797 121.223 -0.080 0.000 2.416 386 L HA 0.429 4.769 4.340 -0.000 0.000 0.216 386 L C 0.939 177.776 176.870 -0.054 0.000 1.098 386 L CA 0.404 55.169 54.840 -0.125 0.000 0.840 386 L CB -0.180 41.711 42.059 -0.279 0.000 0.981 386 L HN 0.810 nan 8.230 nan 0.000 0.462 387 G N -0.820 107.966 108.800 -0.024 0.000 2.519 387 G HA2 0.492 4.452 3.960 -0.000 0.000 0.292 387 G HA3 0.492 4.452 3.960 -0.000 0.000 0.292 387 G C -1.994 172.924 174.900 0.030 0.000 1.507 387 G CA -0.401 44.702 45.100 0.005 0.000 0.806 387 G HN -0.300 nan 8.290 nan 0.000 0.523 388 V N 0.397 120.340 119.914 0.049 0.000 2.808 388 V HA 0.619 4.739 4.120 -0.000 0.000 0.308 388 V C -0.514 175.648 176.094 0.112 0.000 1.099 388 V CA -0.745 61.604 62.300 0.082 0.000 0.920 388 V CB 1.892 33.761 31.823 0.077 0.000 1.014 388 V HN 0.826 nan 8.190 nan 0.000 0.425 389 Q N 2.265 122.164 119.800 0.164 0.000 2.353 389 Q HA 0.843 5.183 4.340 -0.000 0.000 0.268 389 Q C -1.522 174.629 176.000 0.251 0.000 1.045 389 Q CA -0.709 55.237 55.803 0.239 0.000 0.811 389 Q CB 3.014 31.922 28.738 0.284 0.000 1.305 389 Q HN 0.600 nan 8.270 nan 0.000 0.447 390 V N 1.626 121.688 119.914 0.247 0.000 2.760 390 V HA 0.667 4.787 4.120 -0.000 0.000 0.309 390 V C -1.154 175.059 176.094 0.199 0.000 1.077 390 V CA -0.850 61.580 62.300 0.217 0.000 0.910 390 V CB 2.027 33.943 31.823 0.155 0.000 1.008 390 V HN 0.526 nan 8.190 nan 0.000 0.424 391 V N 3.266 123.320 119.914 0.233 0.000 2.733 391 V HA 1.005 5.125 4.120 -0.000 0.000 0.306 391 V C 0.157 176.435 176.094 0.307 0.000 1.084 391 V CA 0.993 63.404 62.300 0.184 0.000 0.905 391 V CB 1.292 33.172 31.823 0.095 0.000 1.010 391 V HN 1.578 nan 8.190 nan 0.000 0.424 392 G N 4.367 113.303 108.800 0.227 0.000 2.286 392 G HA2 0.182 4.142 3.960 -0.000 0.000 0.118 392 G HA3 0.182 4.142 3.960 -0.000 0.000 0.118 392 G C -0.537 174.450 174.900 0.145 0.000 1.267 392 G CA 0.144 45.410 45.100 0.277 0.000 1.171 392 G HN 1.500 nan 8.290 nan 0.000 0.465 393 S N 0.307 116.068 115.700 0.101 0.000 2.501 393 S HA 0.540 5.010 4.470 -0.000 0.000 0.301 393 S C -0.058 174.559 174.600 0.028 0.000 1.096 393 S CA 0.881 59.111 58.200 0.049 0.000 1.063 393 S CB 1.103 64.320 63.200 0.029 0.000 1.042 393 S HN 1.038 nan 8.310 nan 0.000 0.494 394 D N 2.523 122.934 120.400 0.019 0.000 2.705 394 D HA -0.121 4.519 4.640 -0.000 0.000 0.240 394 D C 0.820 177.136 176.300 0.026 0.000 1.137 394 D CA 0.337 54.345 54.000 0.013 0.000 0.677 394 D CB -0.668 40.133 40.800 0.001 0.000 1.049 394 D HN 0.464 nan 8.370 nan 0.000 0.427 395 I N -0.146 120.446 120.570 0.037 0.000 2.277 395 I HA -0.188 3.982 4.170 -0.000 0.000 0.243 395 I C 2.722 178.864 176.117 0.042 0.000 1.094 395 I CA 0.380 61.710 61.300 0.051 0.000 1.393 395 I CB -0.846 37.192 38.000 0.064 0.000 1.078 395 I HN 0.250 nan 8.210 nan 0.000 0.417 396 L N 1.814 123.055 121.223 0.030 0.000 2.054 396 L HA -0.209 4.131 4.340 -0.000 0.000 0.220 396 L C -0.451 176.430 176.870 0.019 0.000 1.081 396 L CA 2.647 57.499 54.840 0.021 0.000 0.780 396 L CB -1.957 40.108 42.059 0.010 0.000 0.893 396 L HN 0.120 nan 8.230 nan 0.000 0.438 397 P HA -0.129 nan 4.420 nan 0.000 0.216 397 P C 1.459 178.772 177.300 0.022 0.000 1.153 397 P CA 1.435 64.548 63.100 0.021 0.000 0.848 397 P CB 0.038 31.756 31.700 0.030 0.000 0.787 398 R N -0.366 120.154 120.500 0.032 0.000 2.075 398 R HA -0.059 4.281 4.340 -0.000 0.000 0.232 398 R C 2.308 178.630 176.300 0.037 0.000 1.126 398 R CA 1.253 57.376 56.100 0.038 0.000 0.963 398 R CB -1.822 28.508 30.300 0.050 0.000 0.858 398 R HN 0.318 nan 8.270 nan 0.000 0.435 399 I N -0.938 119.657 120.570 0.041 0.000 2.286 399 I HA -0.086 4.084 4.170 -0.000 0.000 0.245 399 I C 1.217 177.339 176.117 0.009 0.000 1.104 399 I CA 1.722 63.044 61.300 0.037 0.000 1.397 399 I CB -0.312 37.721 38.000 0.055 0.000 1.072 399 I HN -0.122 nan 8.210 nan 0.000 0.417 400 D N 0.998 121.398 120.400 0.001 0.000 2.144 400 D HA -0.134 4.506 4.640 -0.000 0.000 0.199 400 D C 2.235 178.516 176.300 -0.033 0.000 0.984 400 D CA 1.932 55.921 54.000 -0.019 0.000 0.834 400 D CB -0.291 40.498 40.800 -0.018 0.000 0.955 400 D HN 0.432 nan 8.370 nan 0.000 0.465 401 T N 0.174 114.714 114.554 -0.022 0.000 2.777 401 T HA -0.061 4.289 4.350 -0.000 0.000 0.266 401 T C 1.921 176.589 174.700 -0.054 0.000 1.040 401 T CA 1.310 63.389 62.100 -0.035 0.000 1.141 401 T CB -0.194 68.670 68.868 -0.008 0.000 0.868 401 T HN 0.170 nan 8.240 nan 0.000 0.444 402 A N 1.060 123.866 122.820 -0.023 0.000 2.067 402 A HA 0.314 4.634 4.320 -0.000 0.000 0.219 402 A C 2.500 180.051 177.584 -0.055 0.000 1.158 402 A CA 1.446 53.470 52.037 -0.022 0.000 0.661 402 A CB -0.716 18.295 19.000 0.018 0.000 0.801 402 A HN 0.487 nan 8.150 nan 0.000 0.452 403 A N -0.219 122.565 122.820 -0.060 0.000 1.929 403 A HA 0.295 4.615 4.320 -0.000 0.000 0.216 403 A C 2.415 179.928 177.584 -0.119 0.000 1.176 403 A CA 1.584 53.577 52.037 -0.074 0.000 0.628 403 A CB -0.737 18.226 19.000 -0.061 0.000 0.816 403 A HN 0.870 nan 8.150 nan 0.000 0.444 404 A N -0.205 122.526 122.820 -0.148 0.000 1.872 404 A HA -0.062 4.258 4.320 -0.000 0.000 0.214 404 A C 2.231 179.597 177.584 -0.363 0.000 1.187 404 A CA 1.650 53.560 52.037 -0.211 0.000 0.614 404 A CB -0.561 18.321 19.000 -0.197 0.000 0.826 404 A HN 0.501 nan 8.150 nan 0.000 0.442 405 M N -1.144 118.186 119.600 -0.450 0.000 2.108 405 M HA -0.157 4.323 4.480 -0.000 0.000 0.261 405 M C 2.054 178.160 176.300 -0.322 0.000 1.066 405 M CA 1.275 56.128 55.300 -0.745 0.000 1.107 405 M CB -0.491 31.906 32.600 -0.340 0.000 1.356 405 M HN 0.338 nan 8.290 nan 0.000 0.406 406 L N -0.352 120.780 121.223 -0.153 0.000 2.027 406 L HA -0.137 4.203 4.340 -0.000 0.000 0.206 406 L C 2.489 179.318 176.870 -0.068 0.000 1.074 406 L CA 1.766 56.570 54.840 -0.060 0.000 0.745 406 L CB -0.644 41.390 42.059 -0.041 0.000 0.898 406 L HN 0.266 nan 8.230 nan 0.000 0.433 407 M N -1.263 118.269 119.600 -0.113 0.000 2.358 407 M HA -0.083 4.397 4.480 -0.000 0.000 0.264 407 M C 1.765 178.015 176.300 -0.084 0.000 1.064 407 M CA 1.482 56.719 55.300 -0.105 0.000 1.093 407 M CB -0.264 32.262 32.600 -0.123 0.000 1.401 407 M HN 0.212 nan 8.290 nan 0.000 0.440 408 A N -1.702 121.053 122.820 -0.107 0.000 2.303 408 A HA 0.550 4.870 4.320 -0.000 0.000 0.217 408 A C 1.480 179.140 177.584 0.126 0.000 1.205 408 A CA 0.394 52.418 52.037 -0.022 0.000 0.875 408 A CB -0.571 18.362 19.000 -0.111 0.000 0.910 408 A HN 0.700 nan 8.150 nan 0.000 0.501 409 G N -0.997 107.871 108.800 0.114 0.000 2.149 409 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.235 409 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.235 409 G C -0.147 174.915 174.900 0.269 0.000 1.018 409 G CA -0.092 45.100 45.100 0.154 0.000 0.728 409 G HN 0.223 nan 8.290 nan 0.000 0.508 410 F N 1.957 121.917 119.950 0.017 0.000 2.563 410 F HA 0.436 4.963 4.527 -0.000 0.000 0.363 410 F C 1.715 177.530 175.800 0.025 0.000 1.123 410 F CA 0.225 58.242 58.000 0.028 0.000 1.307 410 F CB 0.659 39.678 39.000 0.031 0.000 1.115 410 F HN 0.314 nan 8.300 nan 0.000 0.592 411 T N -1.264 113.330 114.554 0.066 0.000 2.912 411 T HA 0.158 4.508 4.350 -0.000 0.000 0.280 411 T C 1.148 175.874 174.700 0.044 0.000 0.989 411 T CA -0.245 61.877 62.100 0.037 0.000 0.995 411 T CB 1.364 70.229 68.868 -0.005 0.000 1.077 411 T HN 0.596 nan 8.240 nan 0.000 0.531 412 T N -0.678 113.893 114.554 0.028 0.000 2.803 412 T HA -0.100 4.250 4.350 -0.000 0.000 0.269 412 T C 1.733 176.440 174.700 0.012 0.000 1.052 412 T CA 1.503 63.617 62.100 0.023 0.000 1.136 412 T CB -0.532 68.327 68.868 -0.015 0.000 0.864 412 T HN 0.663 nan 8.240 nan 0.000 0.467 413 K N 0.120 120.515 120.400 -0.009 0.000 2.103 413 K HA -0.091 4.228 4.320 -0.000 0.000 0.204 413 K C 1.862 178.499 176.600 0.061 0.000 1.052 413 K CA 1.352 57.642 56.287 0.004 0.000 0.945 413 K CB -0.160 32.372 32.500 0.054 0.000 0.722 413 K HN 0.332 nan 8.250 nan 0.000 0.443 414 D N 0.729 121.101 120.400 -0.046 0.000 2.092 414 D HA -0.176 4.464 4.640 -0.000 0.000 0.193 414 D C 1.791 178.014 176.300 -0.129 0.000 0.994 414 D CA 1.517 55.343 54.000 -0.290 0.000 0.828 414 D CB -0.193 40.094 40.800 -0.854 0.000 0.963 414 D HN 0.294 nan 8.370 nan 0.000 0.450 415 A N 0.761 123.641 122.820 0.101 0.000 1.883 415 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 415 A C 2.145 179.833 177.584 0.173 0.000 1.186 415 A CA 1.288 53.492 52.037 0.279 0.000 0.624 415 A CB -1.127 18.025 19.000 0.254 0.000 0.822 415 A HN 0.241 nan 8.150 nan 0.000 0.444 416 F N -0.255 119.658 119.950 -0.062 0.000 2.120 416 F HA -0.195 4.332 4.527 -0.000 0.000 0.300 416 F C 1.415 177.113 175.800 -0.171 0.000 1.095 416 F CA 1.599 59.486 58.000 -0.189 0.000 1.249 416 F CB -0.381 38.353 39.000 -0.445 0.000 0.995 416 F HN 0.202 nan 8.300 nan 0.000 0.480 417 F N 0.212 120.123 119.950 -0.065 0.000 2.732 417 F HA 0.162 4.689 4.527 -0.000 0.000 0.303 417 F C 0.973 176.715 175.800 -0.096 0.000 1.110 417 F CA -0.072 57.832 58.000 -0.161 0.000 1.355 417 F CB -1.389 37.584 39.000 -0.045 0.000 1.081 417 F HN -0.347 nan 8.300 nan 0.000 0.565 418 T N 0.772 115.396 114.554 0.116 0.000 2.853 418 T HA -0.071 4.279 4.350 -0.000 0.000 0.298 418 T C 0.191 174.921 174.700 0.049 0.000 0.978 418 T CA -0.237 61.941 62.100 0.130 0.000 1.152 418 T CB 0.356 69.344 68.868 0.201 0.000 0.914 418 T HN -0.031 nan 8.240 nan 0.000 0.539 419 D N 4.317 124.740 120.400 0.037 0.000 2.441 419 D HA 0.106 4.746 4.640 -0.000 0.000 0.243 419 D C 0.070 176.365 176.300 -0.008 0.000 1.257 419 D CA 0.056 54.053 54.000 -0.004 0.000 1.027 419 D CB -0.288 40.507 40.800 -0.008 0.000 1.084 419 D HN 0.415 nan 8.370 nan 0.000 0.514 420 L N 1.402 122.616 121.223 -0.016 0.000 2.431 420 L HA 0.560 4.900 4.340 -0.000 0.000 0.260 420 L C 0.948 177.806 176.870 -0.019 0.000 1.098 420 L CA -1.243 53.591 54.840 -0.010 0.000 0.800 420 L CB 0.953 43.016 42.059 0.007 0.000 1.210 420 L HN 0.231 nan 8.230 nan 0.000 0.465 421 A N 0.607 123.413 122.820 -0.024 0.000 2.351 421 A HA 0.428 4.748 4.320 -0.000 0.000 0.257 421 A C -1.236 176.368 177.584 0.033 0.000 1.087 421 A CA 0.091 52.100 52.037 -0.046 0.000 0.798 421 A CB 0.389 19.312 19.000 -0.127 0.000 1.033 421 A HN 0.564 nan 8.150 nan 0.000 0.488 422 Y N 0.044 120.270 120.300 -0.122 0.000 2.441 422 Y HA 0.549 5.099 4.550 -0.000 0.000 0.334 422 Y C -0.612 175.241 175.900 -0.078 0.000 1.061 422 Y CA -0.187 57.860 58.100 -0.088 0.000 1.032 422 Y CB 1.590 39.993 38.460 -0.096 0.000 1.266 422 Y HN 1.462 nan 8.280 nan 0.000 0.441 423 A N 6.601 128.733 122.820 -1.146 0.000 2.573 423 A HA 0.441 4.761 4.320 -0.000 0.000 0.312 423 A C -2.804 174.400 177.584 -0.634 0.000 1.041 423 A CA -1.068 50.438 52.037 -0.885 0.000 0.880 423 A CB 0.624 19.460 19.000 -0.273 0.000 1.249 423 A HN 0.453 nan 8.150 nan 0.000 0.385 424 P HA -0.194 nan 4.420 nan 0.000 0.220 424 P C -1.543 175.154 177.300 -1.005 0.000 1.155 424 P CA 2.259 64.968 63.100 -0.651 0.000 0.880 424 P CB -0.424 30.976 31.700 -0.499 0.000 0.790 425 P HA -0.081 nan 4.420 nan 0.000 0.220 425 P C 1.075 178.037 177.300 -0.563 0.000 1.152 425 P CA 1.212 63.861 63.100 -0.752 0.000 0.812 425 P CB -0.351 31.015 31.700 -0.557 0.000 0.792 426 F N -0.882 118.882 119.950 -0.310 0.000 2.262 426 F HA 0.330 4.857 4.527 -0.000 0.000 0.292 426 F C 1.312 177.022 175.800 -0.151 0.000 1.081 426 F CA 0.587 58.470 58.000 -0.195 0.000 1.355 426 F CB -0.245 38.652 39.000 -0.172 0.000 1.069 426 F HN -0.146 nan 8.300 nan 0.000 0.506 427 A N -1.109 121.729 122.820 0.030 0.000 2.544 427 A HA 0.511 4.831 4.320 -0.000 0.000 0.291 427 A C -2.804 174.859 177.584 0.131 0.000 1.055 427 A CA -1.197 50.872 52.037 0.054 0.000 0.651 427 A CB 0.218 19.274 19.000 0.094 0.000 1.296 427 A HN -0.193 nan 8.150 nan 0.000 0.431 428 P HA 0.338 nan 4.420 nan 0.000 0.276 428 P C 0.974 178.396 177.300 0.204 0.000 1.261 428 P CA -0.130 63.083 63.100 0.189 0.000 0.800 428 P CB 0.718 32.473 31.700 0.093 0.000 1.066 429 V N -0.889 118.992 119.914 -0.055 0.000 2.231 429 V HA -0.188 3.932 4.120 -0.000 0.000 0.248 429 V C 0.856 176.762 176.094 -0.314 0.000 1.054 429 V CA 1.548 63.513 62.300 -0.558 0.000 1.015 429 V CB -1.324 30.122 31.823 -0.627 0.000 0.638 429 V HN 0.559 nan 8.190 nan 0.000 0.444 430 W N 1.124 122.358 121.300 -0.110 0.000 2.357 430 W HA 0.358 5.018 4.660 -0.000 0.000 0.317 430 W C 0.360 176.855 176.519 -0.039 0.000 1.101 430 W CA -0.592 56.711 57.345 -0.071 0.000 1.380 430 W CB -0.015 29.416 29.460 -0.048 0.000 1.266 430 W HN 0.104 nan 8.180 nan 0.000 0.419 431 D N 4.182 124.682 120.400 0.166 0.000 2.423 431 D HA -0.040 4.600 4.640 -0.000 0.000 0.238 431 D C -1.302 175.062 176.300 0.107 0.000 1.142 431 D CA -0.887 53.181 54.000 0.112 0.000 0.884 431 D CB 1.732 42.578 40.800 0.078 0.000 1.199 431 D HN 0.075 nan 8.370 nan 0.000 0.438 432 P HA -0.152 nan 4.420 nan 0.000 0.217 432 P C 1.411 178.735 177.300 0.040 0.000 1.148 432 P CA 0.541 63.654 63.100 0.021 0.000 0.828 432 P CB 0.169 31.862 31.700 -0.012 0.000 0.783 433 L N -1.247 120.011 121.223 0.058 0.000 2.056 433 L HA -0.083 4.257 4.340 -0.000 0.000 0.207 433 L C 2.071 178.999 176.870 0.096 0.000 1.078 433 L CA 1.684 56.565 54.840 0.070 0.000 0.749 433 L CB -1.222 40.877 42.059 0.067 0.000 0.901 433 L HN -0.154 nan 8.230 nan 0.000 0.433 434 I N -1.446 119.193 120.570 0.116 0.000 2.394 434 I HA -0.213 3.957 4.170 -0.000 0.000 0.251 434 I C 2.221 178.467 176.117 0.214 0.000 1.136 434 I CA 0.928 62.328 61.300 0.167 0.000 1.425 434 I CB -0.209 37.881 38.000 0.149 0.000 1.079 434 I HN 0.047 nan 8.210 nan 0.000 0.425 435 V N -0.112 119.881 119.914 0.132 0.000 2.358 435 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 435 V C 2.335 178.428 176.094 -0.001 0.000 1.047 435 V CA 1.548 63.861 62.300 0.023 0.000 1.035 435 V CB -0.729 31.067 31.823 -0.046 0.000 0.658 435 V HN 0.385 nan 8.190 nan 0.000 0.452 436 L N 1.235 122.471 121.223 0.022 0.000 1.989 436 L HA -0.124 4.216 4.340 -0.000 0.000 0.211 436 L C 2.488 179.373 176.870 0.024 0.000 1.071 436 L CA 2.488 57.339 54.840 0.018 0.000 0.749 436 L CB -0.953 41.131 42.059 0.042 0.000 0.890 436 L HN 0.216 nan 8.230 nan 0.000 0.431 437 A N -0.238 122.624 122.820 0.070 0.000 1.978 437 A HA -0.268 4.052 4.320 -0.000 0.000 0.220 437 A C 2.382 179.957 177.584 -0.015 0.000 1.170 437 A CA 1.892 53.971 52.037 0.071 0.000 0.636 437 A CB -0.673 18.422 19.000 0.158 0.000 0.810 437 A HN 0.597 nan 8.150 nan 0.000 0.448 438 R N -0.079 120.415 120.500 -0.009 0.000 2.075 438 R HA -0.051 4.289 4.340 -0.000 0.000 0.232 438 R C 1.623 177.784 176.300 -0.232 0.000 1.126 438 R CA 2.180 58.121 56.100 -0.266 0.000 0.963 438 R CB -1.160 29.041 30.300 -0.164 0.000 0.858 438 R HN 0.198 nan 8.270 nan 0.000 0.435 439 V N 0.870 120.702 119.914 -0.135 0.000 2.295 439 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 439 V C 2.309 178.349 176.094 -0.090 0.000 1.049 439 V CA 1.463 63.697 62.300 -0.110 0.000 1.024 439 V CB -0.516 31.265 31.823 -0.070 0.000 0.648 439 V HN 0.267 nan 8.190 nan 0.000 0.447 440 L N 0.135 121.318 121.223 -0.066 0.000 2.093 440 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 440 L C 2.398 179.219 176.870 -0.082 0.000 1.085 440 L CA 1.970 56.780 54.840 -0.050 0.000 0.755 440 L CB -1.450 40.597 42.059 -0.021 0.000 0.904 440 L HN 0.440 nan 8.230 nan 0.000 0.435 441 K N 1.082 121.402 120.400 -0.132 0.000 2.020 441 K HA -0.206 4.114 4.320 -0.000 0.000 0.212 441 K C 0.751 177.256 176.600 -0.157 0.000 1.050 441 K CA 1.615 57.796 56.287 -0.177 0.000 0.929 441 K CB -0.052 32.243 32.500 -0.342 0.000 0.714 441 K HN 0.360 nan 8.250 nan 0.000 0.443 442 E N 0.878 120.972 120.200 -0.175 0.000 2.545 442 E HA 0.100 4.450 4.350 -0.000 0.000 0.271 442 E C 0.081 176.628 176.600 -0.090 0.000 1.508 442 E CA -0.423 55.895 56.400 -0.135 0.000 1.774 442 E CB 0.547 30.154 29.700 -0.155 0.000 1.460 442 E HN 0.362 nan 8.360 nan 0.000 0.449 443 G N 0.000 108.757 108.800 -0.072 0.000 5.446 443 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 443 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 443 G CA 0.000 45.072 45.100 -0.047 0.000 0.502 443 G HN 0.000 nan 8.290 nan 0.000 0.925