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 2c6f_1_A DATA FIRST_RESID 1 DATA SEQUENCE LDPGLQPGNF SADEAGAQLF AQSYNSSAEQ VLFQSVAASW AHDTNITAEN DATA SEQUENCE ARRQEEAALL SQEFAEAWGQ KAKELYEPIW QNFTDPQLRR IIGAVRTLGS DATA SEQUENCE ANLPLAKRQQ YNALLSNMSR IYSTAKVcLP NKTATcWSLD PDLTNILASS DATA SEQUENCE RSYAMLLFAW EGWHNAAGIP LKPLYEDFTA LSNEAYKQDG FTDTGAYWRS DATA SEQUENCE WYNSPTFEDD LEHLYQQLEP LYLNLHAFVR RALHRRYGDR YINLRGPIPA DATA SEQUENCE HLLGDMWAQS WENIYDMVVP FPDKPNLDVT STMLQQGWNA THMFRVAEEF DATA SEQUENCE FTSLELSPMP PEFWEGSMLE KPADGREVVc HASAWDFYNR KDFRIKQcTR DATA SEQUENCE VTMDQLSTVH HEMGHIQYYL QYKDLPVSLR RGANPGFHEA IGDVLALSVS DATA SEQUENCE TPEHLHKIGL LDRVTNDTES DINYLLKMAL EKIAFLPFGY LVDQWRWGVF DATA SEQUENCE SGRTPPSRYN FDWWYLRTKY QGICPPVTRN ETHFDAGAKF HVPNVTPYIR DATA SEQUENCE YFVSFVLQFQ FHEALcKEAG YEGPLHQcDI YRSTKAGAKL RKVLQAGSSR DATA SEQUENCE PWQEVLKDMV GLDALDAQPL LKYFQPVTQW LQEQNQQNGE VLGWPEYQWH DATA SEQUENCE PPLPDNYPEG ID VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.898 176.870 0.047 0.000 1.165 1 L CA 0.000 54.873 54.840 0.055 0.000 0.813 1 L CB 0.000 42.102 42.059 0.072 0.000 0.961 2 D N 2.338 122.779 120.400 0.068 0.000 2.648 2 D HA 0.186 4.824 4.640 -0.003 0.000 0.229 2 D C -0.960 175.366 176.300 0.043 0.000 1.119 2 D CA -0.009 54.027 54.000 0.060 0.000 0.850 2 D CB 1.285 42.136 40.800 0.085 0.000 1.169 2 D HN 0.487 nan 8.370 nan 0.000 0.489 3 P HA -0.045 nan 4.420 nan 0.000 0.219 3 P C 1.302 178.607 177.300 0.009 0.000 1.150 3 P CA 0.923 64.022 63.100 -0.001 0.000 0.814 3 P CB 0.051 31.747 31.700 -0.007 0.000 0.787 4 G N 0.176 108.999 108.800 0.038 0.000 2.509 4 G HA2 -0.123 3.835 3.960 -0.003 0.000 0.218 4 G HA3 -0.123 3.835 3.960 -0.003 0.000 0.218 4 G C 1.449 176.413 174.900 0.106 0.000 1.124 4 G CA 0.229 45.364 45.100 0.059 0.000 0.776 4 G HN 0.265 nan 8.290 nan 0.000 0.547 5 L N -0.664 120.632 121.223 0.122 0.000 2.640 5 L HA 0.272 4.610 4.340 -0.003 0.000 0.230 5 L C 1.201 178.131 176.870 0.100 0.000 1.123 5 L CA -0.367 54.600 54.840 0.212 0.000 0.900 5 L CB 0.202 42.443 42.059 0.302 0.000 1.146 5 L HN 0.121 nan 8.230 nan 0.000 0.484 6 Q N 0.500 120.273 119.800 -0.044 0.000 2.454 6 Q HA 0.087 4.425 4.340 -0.003 0.000 0.247 6 Q C -1.499 174.201 176.000 -0.500 0.000 1.028 6 Q CA -0.929 54.716 55.803 -0.264 0.000 0.910 6 Q CB 0.892 29.509 28.738 -0.201 0.000 1.276 6 Q HN -0.155 nan 8.270 nan 0.000 0.489 7 P HA -0.138 nan 4.420 nan 0.000 0.203 7 P C -0.018 176.927 177.300 -0.591 0.000 1.087 7 P CA 1.912 64.118 63.100 -1.490 0.000 0.952 7 P CB -0.041 31.072 31.700 -0.978 0.000 0.758 8 G N -2.962 105.639 108.800 -0.332 0.000 2.113 8 G HA2 0.066 4.024 3.960 -0.003 0.000 0.082 8 G HA3 0.066 4.024 3.960 -0.003 0.000 0.082 8 G C -1.183 173.546 174.900 -0.284 0.000 1.155 8 G CA -0.039 44.909 45.100 -0.253 0.000 1.241 8 G HN 0.445 nan 8.290 nan 0.000 0.453 9 N N -0.777 117.586 118.700 -0.561 0.000 2.846 9 N HA 0.612 5.350 4.740 -0.003 0.000 0.248 9 N C -1.989 173.099 175.510 -0.702 0.000 1.097 9 N CA -0.293 52.529 53.050 -0.380 0.000 1.013 9 N CB 1.551 39.896 38.487 -0.237 0.000 1.686 9 N HN 0.385 nan 8.380 nan 0.000 0.520 10 F N -0.132 119.841 119.950 0.037 0.000 2.643 10 F HA 0.434 4.959 4.527 -0.003 0.000 0.314 10 F C 0.568 176.411 175.800 0.073 0.000 1.096 10 F CA -0.666 57.394 58.000 0.101 0.000 0.953 10 F CB 1.495 40.634 39.000 0.231 0.000 1.345 10 F HN 0.180 nan 8.300 nan 0.000 0.468 11 S N 0.543 116.463 115.700 0.367 0.000 2.549 11 S HA 0.421 4.889 4.470 -0.003 0.000 0.279 11 S C 0.440 175.248 174.600 0.346 0.000 1.321 11 S CA -0.414 57.941 58.200 0.258 0.000 1.054 11 S CB 1.274 64.602 63.200 0.215 0.000 0.899 11 S HN 0.783 nan 8.310 nan 0.000 0.497 12 A N 1.980 124.951 122.820 0.251 0.000 2.426 12 A HA 0.193 4.511 4.320 -0.003 0.000 0.247 12 A C 0.023 177.803 177.584 0.328 0.000 1.389 12 A CA -0.208 52.038 52.037 0.347 0.000 1.129 12 A CB -0.565 18.549 19.000 0.189 0.000 0.928 12 A HN 0.692 nan 8.150 nan 0.000 0.557 13 D N -1.122 119.434 120.400 0.260 0.000 2.442 13 D HA 0.209 4.847 4.640 -0.003 0.000 0.254 13 D C 1.016 177.196 176.300 -0.199 0.000 1.069 13 D CA -0.508 53.519 54.000 0.046 0.000 1.017 13 D CB 0.844 41.666 40.800 0.037 0.000 1.172 13 D HN 0.382 nan 8.370 nan 0.000 0.561 14 E N 0.077 120.038 120.200 -0.399 0.000 2.285 14 E HA -0.037 4.311 4.350 -0.003 0.000 0.194 14 E C 1.316 177.662 176.600 -0.423 0.000 0.997 14 E CA 0.475 56.386 56.400 -0.814 0.000 0.845 14 E CB 0.159 29.340 29.700 -0.865 0.000 0.782 14 E HN 0.417 nan 8.360 nan 0.000 0.491 15 A N 0.442 123.145 122.820 -0.195 0.000 2.067 15 A HA 0.083 4.401 4.320 -0.003 0.000 0.217 15 A C 2.212 179.807 177.584 0.018 0.000 1.156 15 A CA 1.070 53.064 52.037 -0.071 0.000 0.683 15 A CB -0.552 18.436 19.000 -0.020 0.000 0.808 15 A HN 0.400 nan 8.150 nan 0.000 0.455 16 G N -0.252 108.585 108.800 0.061 0.000 2.394 16 G HA2 0.077 4.036 3.960 -0.003 0.000 0.214 16 G HA3 0.077 4.036 3.960 -0.003 0.000 0.214 16 G C 1.758 176.789 174.900 0.219 0.000 1.176 16 G CA 1.159 46.418 45.100 0.266 0.000 0.786 16 G HN 0.686 nan 8.290 nan 0.000 0.533 17 A N 0.043 122.821 122.820 -0.070 0.000 1.908 17 A HA -0.124 4.194 4.320 -0.003 0.000 0.218 17 A C 2.337 179.917 177.584 -0.007 0.000 1.181 17 A CA 2.014 53.907 52.037 -0.239 0.000 0.627 17 A CB -0.475 18.079 19.000 -0.744 0.000 0.818 17 A HN 0.309 nan 8.150 nan 0.000 0.445 18 Q N -0.494 119.274 119.800 -0.053 0.000 2.197 18 Q HA -0.147 4.191 4.340 -0.003 0.000 0.207 18 Q C 2.112 178.149 176.000 0.062 0.000 0.984 18 Q CA 1.417 57.226 55.803 0.010 0.000 0.869 18 Q CB -0.348 28.384 28.738 -0.010 0.000 0.906 18 Q HN 0.765 nan 8.270 nan 0.000 0.426 19 L N -1.159 120.114 121.223 0.083 0.000 2.068 19 L HA -0.100 4.238 4.340 -0.003 0.000 0.204 19 L C 2.259 179.086 176.870 -0.071 0.000 1.076 19 L CA 0.643 55.557 54.840 0.123 0.000 0.753 19 L CB -0.569 41.679 42.059 0.315 0.000 0.910 19 L HN 0.118 nan 8.230 nan 0.000 0.439 20 F N 1.291 120.907 119.950 -0.557 0.000 2.087 20 F HA -0.353 4.172 4.527 -0.003 0.000 0.299 20 F C 2.422 178.143 175.800 -0.133 0.000 1.100 20 F CA 1.763 59.271 58.000 -0.821 0.000 1.226 20 F CB -0.200 38.591 39.000 -0.347 0.000 0.983 20 F HN 0.014 nan 8.300 nan 0.000 0.479 21 A N -0.035 122.905 122.820 0.200 0.000 1.898 21 A HA -0.166 4.152 4.320 -0.003 0.000 0.216 21 A C 2.228 179.848 177.584 0.060 0.000 1.181 21 A CA 2.240 54.386 52.037 0.181 0.000 0.620 21 A CB -1.631 17.499 19.000 0.217 0.000 0.819 21 A HN 0.572 nan 8.150 nan 0.000 0.442 22 Q N -0.743 119.086 119.800 0.048 0.000 2.135 22 Q HA -0.187 4.151 4.340 -0.003 0.000 0.204 22 Q C 2.433 178.447 176.000 0.023 0.000 0.981 22 Q CA 2.436 58.264 55.803 0.043 0.000 0.856 22 Q CB -1.196 27.585 28.738 0.073 0.000 0.902 22 Q HN 0.685 nan 8.270 nan 0.000 0.425 23 S N -1.328 114.396 115.700 0.040 0.000 2.329 23 S HA -0.115 4.353 4.470 -0.003 0.000 0.215 23 S C 1.845 176.374 174.600 -0.118 0.000 1.031 23 S CA 1.232 59.494 58.200 0.104 0.000 0.985 23 S CB -0.617 62.809 63.200 0.376 0.000 0.917 23 S HN 0.788 nan 8.310 nan 0.000 0.441 24 Y N 3.188 123.108 120.300 -0.633 0.000 2.133 24 Y HA -0.307 4.241 4.550 -0.003 0.000 0.279 24 Y C 2.086 177.657 175.900 -0.549 0.000 1.209 24 Y CA 2.451 59.822 58.100 -1.215 0.000 1.152 24 Y CB -1.195 36.633 38.460 -1.052 0.000 0.961 24 Y HN 0.494 nan 8.280 nan 0.000 0.512 25 N N -0.099 118.325 118.700 -0.461 0.000 2.069 25 N HA -0.205 4.533 4.740 -0.003 0.000 0.191 25 N C 2.058 177.385 175.510 -0.306 0.000 1.031 25 N CA 2.634 55.440 53.050 -0.407 0.000 0.852 25 N CB -0.782 37.605 38.487 -0.166 0.000 1.018 25 N HN 0.587 nan 8.380 nan 0.000 0.423 26 S N -0.805 114.786 115.700 -0.183 0.000 2.368 26 S HA -0.043 4.425 4.470 -0.003 0.000 0.224 26 S C 2.097 176.643 174.600 -0.090 0.000 1.029 26 S CA 1.624 59.765 58.200 -0.097 0.000 0.988 26 S CB -0.633 62.554 63.200 -0.022 0.000 0.838 26 S HN 0.375 nan 8.310 nan 0.000 0.462 27 S N 1.498 117.151 115.700 -0.078 0.000 2.362 27 S HA 0.212 4.680 4.470 -0.003 0.000 0.221 27 S C 2.493 177.055 174.600 -0.063 0.000 1.032 27 S CA 0.837 59.088 58.200 0.085 0.000 0.973 27 S CB -0.537 62.852 63.200 0.314 0.000 0.849 27 S HN 0.766 nan 8.310 nan 0.000 0.465 28 A N 1.895 124.469 122.820 -0.411 0.000 1.940 28 A HA -0.188 4.131 4.320 -0.003 0.000 0.219 28 A C 1.994 179.234 177.584 -0.572 0.000 1.176 28 A CA 1.496 52.981 52.037 -0.919 0.000 0.631 28 A CB -0.618 17.590 19.000 -1.320 0.000 0.814 28 A HN 0.521 nan 8.150 nan 0.000 0.446 29 E N -0.599 119.397 120.200 -0.340 0.000 2.160 29 E HA -0.245 4.103 4.350 -0.003 0.000 0.195 29 E C 2.257 178.813 176.600 -0.075 0.000 0.991 29 E CA 1.453 57.761 56.400 -0.153 0.000 0.810 29 E CB -0.124 29.520 29.700 -0.092 0.000 0.742 29 E HN 0.786 nan 8.360 nan 0.000 0.466 30 Q N -0.042 119.700 119.800 -0.096 0.000 2.008 30 Q HA -0.071 4.267 4.340 -0.003 0.000 0.196 30 Q C 2.366 178.368 176.000 0.003 0.000 0.973 30 Q CA 0.833 56.630 55.803 -0.009 0.000 0.826 30 Q CB -0.053 28.695 28.738 0.016 0.000 0.894 30 Q HN 0.104 nan 8.270 nan 0.000 0.439 31 V N 1.273 121.099 119.914 -0.148 0.000 2.568 31 V HA -0.234 3.884 4.120 -0.003 0.000 0.253 31 V C 2.027 177.992 176.094 -0.215 0.000 1.072 31 V CA 1.458 63.638 62.300 -0.201 0.000 1.084 31 V CB -0.268 31.231 31.823 -0.540 0.000 0.676 31 V HN 0.315 nan 8.190 nan 0.000 0.469 32 L N -1.997 119.060 121.223 -0.276 0.000 2.127 32 L HA -0.073 4.265 4.340 -0.003 0.000 0.203 32 L C 2.255 179.076 176.870 -0.083 0.000 1.080 32 L CA 1.452 56.125 54.840 -0.279 0.000 0.768 32 L CB -0.547 41.219 42.059 -0.488 0.000 0.924 32 L HN 0.383 nan 8.230 nan 0.000 0.444 33 F N 1.699 121.608 119.950 -0.069 0.000 2.091 33 F HA -0.367 4.158 4.527 -0.003 0.000 0.299 33 F C 2.636 178.488 175.800 0.087 0.000 1.103 33 F CA 2.260 60.300 58.000 0.067 0.000 1.228 33 F CB -0.249 38.787 39.000 0.059 0.000 0.984 33 F HN 0.182 nan 8.300 nan 0.000 0.477 34 Q N 0.565 120.476 119.800 0.186 0.000 2.030 34 Q HA -0.227 4.111 4.340 -0.003 0.000 0.204 34 Q C 2.300 178.288 176.000 -0.020 0.000 0.986 34 Q CA 2.459 58.322 55.803 0.100 0.000 0.843 34 Q CB -1.372 27.455 28.738 0.148 0.000 0.904 34 Q HN 0.435 nan 8.270 nan 0.000 0.420 35 S N 0.001 115.683 115.700 -0.031 0.000 2.400 35 S HA -0.129 4.339 4.470 -0.003 0.000 0.232 35 S C 1.969 176.540 174.600 -0.049 0.000 1.025 35 S CA 1.204 59.383 58.200 -0.036 0.000 0.993 35 S CB -0.609 62.555 63.200 -0.059 0.000 0.808 35 S HN 0.285 nan 8.310 nan 0.000 0.478 36 V N 1.986 121.824 119.914 -0.127 0.000 2.407 36 V HA 0.061 4.179 4.120 -0.003 0.000 0.245 36 V C 3.131 179.136 176.094 -0.149 0.000 1.041 36 V CA 1.455 63.652 62.300 -0.172 0.000 1.040 36 V CB -1.332 30.259 31.823 -0.386 0.000 0.671 36 V HN 0.668 nan 8.190 nan 0.000 0.455 37 A N -0.049 122.656 122.820 -0.193 0.000 1.969 37 A HA -0.028 4.290 4.320 -0.003 0.000 0.218 37 A C 2.385 180.034 177.584 0.110 0.000 1.169 37 A CA 1.794 53.843 52.037 0.020 0.000 0.635 37 A CB -0.588 18.249 19.000 -0.271 0.000 0.810 37 A HN 0.533 nan 8.150 nan 0.000 0.445 38 A N -0.295 122.560 122.820 0.059 0.000 1.877 38 A HA -0.069 4.249 4.320 -0.003 0.000 0.216 38 A C 2.455 180.118 177.584 0.132 0.000 1.186 38 A CA 2.062 54.153 52.037 0.089 0.000 0.620 38 A CB -0.914 18.122 19.000 0.060 0.000 0.822 38 A HN 0.452 nan 8.150 nan 0.000 0.443 39 S N -1.358 114.440 115.700 0.162 0.000 2.356 39 S HA -0.194 4.274 4.470 -0.003 0.000 0.223 39 S C 1.616 176.359 174.600 0.239 0.000 1.032 39 S CA 1.040 59.392 58.200 0.254 0.000 1.005 39 S CB -0.589 62.835 63.200 0.374 0.000 0.867 39 S HN 0.775 nan 8.310 nan 0.000 0.449 40 W N 2.456 123.708 121.300 -0.080 0.000 2.341 40 W HA -0.210 4.449 4.660 -0.003 0.000 0.283 40 W C 2.119 178.520 176.519 -0.197 0.000 1.215 40 W CA 1.319 58.395 57.345 -0.449 0.000 1.211 40 W CB -0.326 28.887 29.460 -0.411 0.000 1.131 40 W HN 0.358 nan 8.180 nan 0.000 0.552 41 A N -0.960 121.859 122.820 -0.001 0.000 1.935 41 A HA -0.198 4.120 4.320 -0.003 0.000 0.214 41 A C 1.997 179.545 177.584 -0.059 0.000 1.178 41 A CA 1.408 53.421 52.037 -0.041 0.000 0.640 41 A CB -1.331 17.710 19.000 0.069 0.000 0.825 41 A HN 0.498 nan 8.150 nan 0.000 0.447 42 H N 0.100 119.131 119.070 -0.064 0.000 2.363 42 H HA -0.097 4.457 4.556 -0.004 0.000 0.301 42 H C 1.030 176.323 175.328 -0.057 0.000 1.074 42 H CA 1.785 57.814 56.048 -0.032 0.000 1.354 42 H CB 0.028 29.806 29.762 0.026 0.000 1.397 42 H HN 0.361 nan 8.280 nan 0.000 0.516 43 D N -0.183 120.228 120.400 0.019 0.000 2.123 43 D HA -0.108 4.530 4.640 -0.003 0.000 0.200 43 D C 2.115 178.263 176.300 -0.253 0.000 0.976 43 D CA 2.063 56.044 54.000 -0.031 0.000 0.831 43 D CB -0.544 40.346 40.800 0.149 0.000 0.974 43 D HN 0.540 nan 8.370 nan 0.000 0.469 44 T N -2.281 111.972 114.554 -0.502 0.000 3.160 44 T HA 0.005 4.353 4.350 -0.003 0.000 0.257 44 T C 0.380 174.891 174.700 -0.314 0.000 1.147 44 T CA -0.113 61.658 62.100 -0.550 0.000 1.064 44 T CB -0.077 68.223 68.868 -0.946 0.000 0.949 44 T HN -0.102 nan 8.240 nan 0.000 0.526 45 N N 0.381 118.927 118.700 -0.257 0.000 2.999 45 N HA 0.189 4.927 4.740 -0.003 0.000 0.244 45 N C -1.818 173.553 175.510 -0.232 0.000 1.106 45 N CA -0.559 52.379 53.050 -0.187 0.000 1.018 45 N CB 0.806 39.211 38.487 -0.137 0.000 1.600 45 N HN 0.273 nan 8.380 nan 0.000 0.621 46 I N 2.919 123.352 120.570 -0.229 0.000 2.282 46 I HA 0.288 4.456 4.170 -0.003 0.000 0.290 46 I C 0.412 176.435 176.117 -0.157 0.000 1.090 46 I CA -0.354 60.760 61.300 -0.311 0.000 1.231 46 I CB 0.564 38.412 38.000 -0.252 0.000 1.434 46 I HN 0.547 nan 8.210 nan 0.000 0.487 47 T N 1.331 115.818 114.554 -0.111 0.000 2.906 47 T HA 0.596 4.944 4.350 -0.003 0.000 0.295 47 T C 0.851 175.566 174.700 0.025 0.000 1.075 47 T CA -0.338 61.745 62.100 -0.029 0.000 1.005 47 T CB 2.262 71.120 68.868 -0.017 0.000 1.136 47 T HN 0.401 nan 8.240 nan 0.000 0.498 48 A N 0.618 123.457 122.820 0.032 0.000 1.933 48 A HA -0.022 4.296 4.320 -0.003 0.000 0.218 48 A C 2.149 179.769 177.584 0.060 0.000 1.175 48 A CA 2.133 54.201 52.037 0.051 0.000 0.628 48 A CB -1.118 17.903 19.000 0.036 0.000 0.814 48 A HN 0.980 nan 8.150 nan 0.000 0.444 49 E N 1.054 121.282 120.200 0.047 0.000 2.031 49 E HA -0.177 4.171 4.350 -0.003 0.000 0.193 49 E C 1.777 178.418 176.600 0.068 0.000 0.994 49 E CA 1.856 58.285 56.400 0.049 0.000 0.800 49 E CB -0.335 29.387 29.700 0.036 0.000 0.752 49 E HN 0.595 nan 8.360 nan 0.000 0.447 50 N N 0.361 119.109 118.700 0.080 0.000 2.166 50 N HA -0.142 4.596 4.740 -0.003 0.000 0.186 50 N C 1.653 177.275 175.510 0.187 0.000 1.019 50 N CA 1.405 54.526 53.050 0.118 0.000 0.856 50 N CB -0.484 38.064 38.487 0.102 0.000 0.993 50 N HN 0.306 nan 8.380 nan 0.000 0.426 51 A N 1.700 124.671 122.820 0.252 0.000 1.877 51 A HA -0.118 4.200 4.320 -0.003 0.000 0.216 51 A C 2.315 179.941 177.584 0.071 0.000 1.186 51 A CA 1.036 53.202 52.037 0.215 0.000 0.620 51 A CB -0.499 18.637 19.000 0.227 0.000 0.822 51 A HN 0.161 nan 8.150 nan 0.000 0.443 52 R N -0.595 119.950 120.500 0.074 0.000 2.080 52 R HA -0.162 4.176 4.340 -0.003 0.000 0.236 52 R C 2.545 178.872 176.300 0.046 0.000 1.137 52 R CA 1.869 57.999 56.100 0.050 0.000 0.943 52 R CB -0.283 30.046 30.300 0.049 0.000 0.846 52 R HN 0.549 nan 8.270 nan 0.000 0.431 53 R N 0.157 120.691 120.500 0.057 0.000 2.097 53 R HA -0.254 4.084 4.340 -0.003 0.000 0.236 53 R C 2.445 178.772 176.300 0.046 0.000 1.135 53 R CA 2.185 58.318 56.100 0.055 0.000 0.934 53 R CB -0.526 29.813 30.300 0.066 0.000 0.846 53 R HN 0.281 nan 8.270 nan 0.000 0.431 54 Q N 1.508 121.331 119.800 0.039 0.000 2.029 54 Q HA -0.247 4.091 4.340 -0.003 0.000 0.209 54 Q C 1.650 177.651 176.000 0.002 0.000 0.999 54 Q CA 2.310 58.117 55.803 0.007 0.000 0.857 54 Q CB -0.312 28.384 28.738 -0.070 0.000 0.926 54 Q HN 0.393 nan 8.270 nan 0.000 0.415 55 E N -0.426 119.770 120.200 -0.006 0.000 2.219 55 E HA -0.277 4.071 4.350 -0.003 0.000 0.198 55 E C 2.119 178.738 176.600 0.033 0.000 0.998 55 E CA 1.361 57.767 56.400 0.010 0.000 0.818 55 E CB -0.180 29.528 29.700 0.013 0.000 0.741 55 E HN 0.757 nan 8.360 nan 0.000 0.477 56 E N 1.173 121.395 120.200 0.037 0.000 2.021 56 E HA 0.059 4.407 4.350 -0.003 0.000 0.189 56 E C 2.080 178.710 176.600 0.051 0.000 0.980 56 E CA 0.904 57.331 56.400 0.045 0.000 0.803 56 E CB -0.799 28.928 29.700 0.046 0.000 0.766 56 E HN 0.288 nan 8.360 nan 0.000 0.449 57 A N 1.130 123.979 122.820 0.048 0.000 1.948 57 A HA 0.106 4.424 4.320 -0.003 0.000 0.220 57 A C 2.786 180.398 177.584 0.046 0.000 1.177 57 A CA 2.819 54.885 52.037 0.049 0.000 0.636 57 A CB -0.824 18.201 19.000 0.041 0.000 0.815 57 A HN 1.047 nan 8.150 nan 0.000 0.449 58 A N -0.616 122.230 122.820 0.044 0.000 1.902 58 A HA -0.032 4.286 4.320 -0.003 0.000 0.217 58 A C 2.172 179.797 177.584 0.069 0.000 1.181 58 A CA 1.424 53.493 52.037 0.054 0.000 0.623 58 A CB -0.555 18.481 19.000 0.061 0.000 0.818 58 A HN 0.491 nan 8.150 nan 0.000 0.443 59 L N -0.629 120.635 121.223 0.068 0.000 2.131 59 L HA -0.182 4.156 4.340 -0.003 0.000 0.210 59 L C 2.529 179.449 176.870 0.083 0.000 1.092 59 L CA 0.950 55.832 54.840 0.071 0.000 0.759 59 L CB -0.270 41.826 42.059 0.061 0.000 0.903 59 L HN 0.433 nan 8.230 nan 0.000 0.435 60 L N -1.607 119.670 121.223 0.089 0.000 1.988 60 L HA -0.204 4.134 4.340 -0.003 0.000 0.207 60 L C 2.674 179.639 176.870 0.159 0.000 1.071 60 L CA 1.258 56.171 54.840 0.120 0.000 0.744 60 L CB -0.532 41.596 42.059 0.114 0.000 0.893 60 L HN 0.164 nan 8.230 nan 0.000 0.433 61 S N -0.389 115.377 115.700 0.111 0.000 2.359 61 S HA -0.308 4.160 4.470 -0.003 0.000 0.223 61 S C 1.892 176.585 174.600 0.154 0.000 1.039 61 S CA 1.619 59.878 58.200 0.098 0.000 1.042 61 S CB -0.389 62.817 63.200 0.010 0.000 0.915 61 S HN 0.422 nan 8.310 nan 0.000 0.439 62 Q N 0.502 120.368 119.800 0.110 0.000 2.135 62 Q HA -0.179 4.159 4.340 -0.003 0.000 0.204 62 Q C 2.255 178.327 176.000 0.121 0.000 0.981 62 Q CA 1.373 57.231 55.803 0.092 0.000 0.856 62 Q CB -0.145 28.626 28.738 0.056 0.000 0.902 62 Q HN 0.598 nan 8.270 nan 0.000 0.425 63 E N 0.015 120.300 120.200 0.141 0.000 2.017 63 E HA -0.183 4.165 4.350 -0.003 0.000 0.193 63 E C 1.600 178.326 176.600 0.211 0.000 0.997 63 E CA 0.941 57.423 56.400 0.138 0.000 0.804 63 E CB -0.131 29.645 29.700 0.127 0.000 0.757 63 E HN 0.300 nan 8.360 nan 0.000 0.448 64 F N 0.999 121.031 119.950 0.137 0.000 2.065 64 F HA -0.294 4.231 4.527 -0.003 0.000 0.298 64 F C 2.162 178.146 175.800 0.307 0.000 1.112 64 F CA 1.682 59.828 58.000 0.244 0.000 1.212 64 F CB -0.251 38.867 39.000 0.198 0.000 0.975 64 F HN 0.053 nan 8.300 nan 0.000 0.476 65 A N -0.305 122.865 122.820 0.583 0.000 1.978 65 A HA -0.297 4.021 4.320 -0.003 0.000 0.220 65 A C 2.123 179.858 177.584 0.251 0.000 1.170 65 A CA 2.010 54.291 52.037 0.407 0.000 0.636 65 A CB -1.022 18.113 19.000 0.225 0.000 0.810 65 A HN 0.677 nan 8.150 nan 0.000 0.448 66 E N -0.200 120.104 120.200 0.173 0.000 2.072 66 E HA -0.001 4.348 4.350 -0.003 0.000 0.190 66 E C 2.089 178.729 176.600 0.066 0.000 0.982 66 E CA 0.926 57.376 56.400 0.084 0.000 0.803 66 E CB -0.314 29.408 29.700 0.037 0.000 0.755 66 E HN 0.487 nan 8.360 nan 0.000 0.453 67 A N 1.018 123.870 122.820 0.053 0.000 1.841 67 A HA -0.194 4.124 4.320 -0.003 0.000 0.216 67 A C 1.835 179.371 177.584 -0.080 0.000 1.199 67 A CA 1.667 53.654 52.037 -0.084 0.000 0.621 67 A CB -1.391 17.475 19.000 -0.224 0.000 0.835 67 A HN 0.551 nan 8.150 nan 0.000 0.445 68 W N -0.082 121.179 121.300 -0.065 0.000 2.425 68 W HA 0.132 4.790 4.660 -0.004 0.000 0.277 68 W C 2.443 179.000 176.519 0.064 0.000 1.231 68 W CA 0.680 58.044 57.345 0.030 0.000 1.248 68 W CB -0.818 28.607 29.460 -0.059 0.000 1.117 68 W HN 0.406 nan 8.180 nan 0.000 0.568 69 G N 0.291 109.224 108.800 0.223 0.000 2.552 69 G HA2 -0.304 3.654 3.960 -0.003 0.000 0.216 69 G HA3 -0.304 3.654 3.960 -0.003 0.000 0.216 69 G C 1.618 176.534 174.900 0.026 0.000 1.240 69 G CA 2.256 47.413 45.100 0.095 0.000 0.796 69 G HN 0.328 nan 8.290 nan 0.000 0.568 70 Q N 0.052 119.856 119.800 0.007 0.000 2.364 70 Q HA 0.052 4.390 4.340 -0.003 0.000 0.209 70 Q C 2.281 178.249 176.000 -0.054 0.000 0.977 70 Q CA 2.164 57.948 55.803 -0.032 0.000 0.885 70 Q CB -0.427 28.289 28.738 -0.037 0.000 0.941 70 Q HN 0.600 nan 8.270 nan 0.000 0.464 71 K N 0.153 120.534 120.400 -0.032 0.000 2.029 71 K HA 0.276 4.594 4.320 -0.003 0.000 0.205 71 K C 2.339 178.834 176.600 -0.176 0.000 1.042 71 K CA 1.460 57.712 56.287 -0.059 0.000 0.949 71 K CB -0.824 31.687 32.500 0.020 0.000 0.740 71 K HN 0.371 nan 8.250 nan 0.000 0.442 72 A N 1.850 124.570 122.820 -0.167 0.000 1.997 72 A HA -0.252 4.066 4.320 -0.003 0.000 0.221 72 A C 1.806 179.201 177.584 -0.314 0.000 1.172 72 A CA 2.425 54.156 52.037 -0.510 0.000 0.645 72 A CB -0.682 18.135 19.000 -0.306 0.000 0.813 72 A HN 0.602 nan 8.150 nan 0.000 0.454 73 K N -1.811 118.475 120.400 -0.191 0.000 2.361 73 K HA 0.272 4.590 4.320 -0.003 0.000 0.194 73 K C 1.654 178.197 176.600 -0.095 0.000 1.032 73 K CA 0.980 57.193 56.287 -0.123 0.000 1.048 73 K CB -0.342 32.102 32.500 -0.092 0.000 0.842 73 K HN 0.354 nan 8.250 nan 0.000 0.526 74 E N 2.778 122.897 120.200 -0.135 0.000 2.097 74 E HA -0.143 4.205 4.350 -0.003 0.000 0.196 74 E C 1.904 178.441 176.600 -0.104 0.000 1.000 74 E CA 2.152 58.484 56.400 -0.113 0.000 0.804 74 E CB -0.724 28.896 29.700 -0.134 0.000 0.740 74 E HN 0.640 nan 8.360 nan 0.000 0.454 75 L N -6.708 114.412 121.223 -0.172 0.000 3.360 75 L HA 0.452 4.790 4.340 -0.003 0.000 0.303 75 L C 1.332 178.264 176.870 0.103 0.000 1.218 75 L CA -0.373 54.406 54.840 -0.102 0.000 1.059 75 L CB 0.275 42.209 42.059 -0.209 0.000 1.468 75 L HN 0.190 nan 8.230 nan 0.000 0.614 76 Y N 0.052 120.336 120.300 -0.027 0.000 2.636 76 Y HA 0.346 4.894 4.550 -0.003 0.000 0.260 76 Y C 1.671 177.614 175.900 0.072 0.000 1.177 76 Y CA -0.405 57.715 58.100 0.034 0.000 1.209 76 Y CB 0.952 39.346 38.460 -0.112 0.000 1.166 76 Y HN 0.216 nan 8.280 nan 0.000 0.531 77 E N 0.925 121.263 120.200 0.230 0.000 2.460 77 E HA 0.053 4.401 4.350 -0.003 0.000 0.200 77 E C -1.357 175.399 176.600 0.260 0.000 1.011 77 E CA 0.079 56.643 56.400 0.273 0.000 0.912 77 E CB 0.037 29.805 29.700 0.113 0.000 0.953 77 E HN 0.429 nan 8.360 nan 0.000 0.494 78 P HA 0.163 nan 4.420 nan 0.000 0.275 78 P C 1.174 178.505 177.300 0.051 0.000 1.310 78 P CA 0.294 63.444 63.100 0.083 0.000 0.904 78 P CB 0.310 32.053 31.700 0.071 0.000 1.381 79 I N -5.666 114.958 120.570 0.090 0.000 4.530 79 I HA 0.251 4.419 4.170 -0.003 0.000 0.318 79 I C 1.093 177.071 176.117 -0.231 0.000 1.257 79 I CA -0.603 60.730 61.300 0.055 0.000 1.301 79 I CB -0.391 37.773 38.000 0.273 0.000 1.297 79 I HN -0.220 nan 8.210 nan 0.000 0.451 80 W N 4.369 125.246 121.300 -0.704 0.000 2.073 80 W HA 0.226 4.884 4.660 -0.003 0.000 0.358 80 W C 0.375 176.493 176.519 -0.668 0.000 1.321 80 W CA 0.349 56.791 57.345 -1.505 0.000 1.317 80 W CB -0.076 28.747 29.460 -1.061 0.000 1.226 80 W HN 0.530 nan 8.180 nan 0.000 0.622 81 Q N -0.444 118.737 119.800 -1.032 0.000 2.360 81 Q HA -0.252 4.086 4.340 -0.003 0.000 0.192 81 Q C 0.677 176.398 176.000 -0.465 0.000 0.615 81 Q CA 1.575 56.807 55.803 -0.952 0.000 1.355 81 Q CB -1.467 26.497 28.738 -1.289 0.000 1.324 81 Q HN 0.740 nan 8.270 nan 0.000 0.885 82 N N -0.787 117.717 118.700 -0.328 0.000 2.143 82 N HA 0.110 4.848 4.740 -0.003 0.000 0.229 82 N C -0.881 174.731 175.510 0.169 0.000 1.294 82 N CA 0.013 53.019 53.050 -0.073 0.000 0.883 82 N CB 0.646 39.104 38.487 -0.048 0.000 1.148 82 N HN -0.062 nan 8.380 nan 0.000 0.511 83 F N 1.391 121.317 119.950 -0.040 0.000 2.429 83 F HA 0.198 4.723 4.527 -0.003 0.000 0.348 83 F C 2.179 177.973 175.800 -0.011 0.000 1.109 83 F CA -0.207 57.785 58.000 -0.013 0.000 1.232 83 F CB 0.561 39.570 39.000 0.015 0.000 1.157 83 F HN -0.164 nan 8.300 nan 0.000 0.564 84 T N -0.105 114.544 114.554 0.159 0.000 2.674 84 T HA -0.177 4.171 4.350 -0.003 0.000 0.265 84 T C 0.429 175.180 174.700 0.085 0.000 1.039 84 T CA 1.075 63.225 62.100 0.082 0.000 1.150 84 T CB -0.322 68.566 68.868 0.034 0.000 0.864 84 T HN 0.423 nan 8.240 nan 0.000 0.427 85 D N 2.234 122.686 120.400 0.087 0.000 2.363 85 D HA 0.072 4.710 4.640 -0.003 0.000 0.263 85 D C -1.796 174.575 176.300 0.118 0.000 1.258 85 D CA -2.079 51.971 54.000 0.083 0.000 0.907 85 D CB 1.346 42.184 40.800 0.064 0.000 1.107 85 D HN 0.058 nan 8.370 nan 0.000 0.495 86 P HA -0.125 nan 4.420 nan 0.000 0.215 86 P C 1.224 178.589 177.300 0.107 0.000 1.157 86 P CA 1.182 64.338 63.100 0.092 0.000 0.863 86 P CB 0.335 32.072 31.700 0.061 0.000 0.787 87 Q N -0.759 119.094 119.800 0.090 0.000 2.045 87 Q HA -0.192 4.146 4.340 -0.003 0.000 0.206 87 Q C 2.118 178.189 176.000 0.119 0.000 0.991 87 Q CA 1.435 57.292 55.803 0.090 0.000 0.851 87 Q CB -1.295 27.485 28.738 0.070 0.000 0.911 87 Q HN 0.102 nan 8.270 nan 0.000 0.418 88 L N 1.406 122.708 121.223 0.132 0.000 1.978 88 L HA -0.275 4.063 4.340 -0.003 0.000 0.218 88 L C 2.217 179.227 176.870 0.234 0.000 1.075 88 L CA 2.282 57.224 54.840 0.170 0.000 0.767 88 L CB -0.530 41.629 42.059 0.166 0.000 0.890 88 L HN 0.254 nan 8.230 nan 0.000 0.434 89 R N -1.024 119.654 120.500 0.297 0.000 2.285 89 R HA -0.116 4.222 4.340 -0.003 0.000 0.213 89 R C 2.102 178.606 176.300 0.340 0.000 1.068 89 R CA 1.243 57.553 56.100 0.350 0.000 1.004 89 R CB -0.560 29.913 30.300 0.288 0.000 0.873 89 R HN 0.364 nan 8.270 nan 0.000 0.467 90 R N 0.314 120.947 120.500 0.221 0.000 2.200 90 R HA 0.211 4.549 4.340 -0.003 0.000 0.208 90 R C 1.940 178.310 176.300 0.117 0.000 1.033 90 R CA 0.638 56.849 56.100 0.185 0.000 1.000 90 R CB 0.055 30.435 30.300 0.134 0.000 0.906 90 R HN 0.268 nan 8.270 nan 0.000 0.462 91 I N 0.234 120.866 120.570 0.104 0.000 2.296 91 I HA -0.185 3.983 4.170 -0.003 0.000 0.242 91 I C 2.079 178.205 176.117 0.014 0.000 1.087 91 I CA 1.047 62.398 61.300 0.084 0.000 1.393 91 I CB -0.079 37.994 38.000 0.122 0.000 1.093 91 I HN 0.091 nan 8.210 nan 0.000 0.421 92 I N 1.042 121.601 120.570 -0.019 0.000 2.264 92 I HA -0.237 3.931 4.170 -0.003 0.000 0.248 92 I C 2.519 178.334 176.117 -0.503 0.000 1.111 92 I CA 1.676 62.858 61.300 -0.196 0.000 1.382 92 I CB -0.773 37.110 38.000 -0.196 0.000 1.060 92 I HN 0.292 nan 8.210 nan 0.000 0.418 93 G N 0.149 108.607 108.800 -0.570 0.000 2.471 93 G HA2 -0.108 3.850 3.960 -0.003 0.000 0.219 93 G HA3 -0.108 3.850 3.960 -0.003 0.000 0.219 93 G C 1.735 176.506 174.900 -0.215 0.000 1.125 93 G CA 0.727 45.376 45.100 -0.752 0.000 0.775 93 G HN 0.499 nan 8.290 nan 0.000 0.548 94 A N -0.142 122.632 122.820 -0.078 0.000 2.030 94 A HA 0.338 4.656 4.320 -0.003 0.000 0.215 94 A C 2.395 179.984 177.584 0.009 0.000 1.164 94 A CA 1.098 53.159 52.037 0.041 0.000 0.697 94 A CB -0.028 19.015 19.000 0.072 0.000 0.827 94 A HN 0.189 nan 8.150 nan 0.000 0.457 95 V N 0.865 120.726 119.914 -0.088 0.000 2.535 95 V HA -0.167 3.951 4.120 -0.003 0.000 0.246 95 V C 2.487 178.524 176.094 -0.095 0.000 1.045 95 V CA 1.782 64.008 62.300 -0.123 0.000 1.058 95 V CB -0.790 30.909 31.823 -0.207 0.000 0.689 95 V HN 0.808 nan 8.190 nan 0.000 0.461 96 R N 0.752 121.141 120.500 -0.185 0.000 2.328 96 R HA -0.061 4.278 4.340 -0.003 0.000 0.207 96 R C 0.423 176.694 176.300 -0.048 0.000 1.056 96 R CA 1.009 57.007 56.100 -0.171 0.000 1.016 96 R CB -0.545 29.545 30.300 -0.350 0.000 0.872 96 R HN 0.377 nan 8.270 nan 0.000 0.471 97 T N 1.452 116.017 114.554 0.019 0.000 2.811 97 T HA 0.271 4.619 4.350 -0.003 0.000 0.309 97 T C 1.005 175.741 174.700 0.060 0.000 1.005 97 T CA -0.487 61.676 62.100 0.106 0.000 0.955 97 T CB 1.205 70.222 68.868 0.248 0.000 0.970 97 T HN 0.148 nan 8.240 nan 0.000 0.496 98 L N 2.691 123.915 121.223 0.002 0.000 2.109 98 L HA 0.135 4.474 4.340 -0.003 0.000 0.207 98 L C 2.069 178.864 176.870 -0.125 0.000 1.086 98 L CA 0.982 55.799 54.840 -0.039 0.000 0.760 98 L CB -0.805 41.216 42.059 -0.064 0.000 0.910 98 L HN 0.931 nan 8.230 nan 0.000 0.437 99 G N 0.017 108.648 108.800 -0.282 0.000 2.523 99 G HA2 -0.388 3.570 3.960 -0.003 0.000 0.271 99 G HA3 -0.388 3.570 3.960 -0.003 0.000 0.271 99 G C 0.844 175.311 174.900 -0.722 0.000 1.146 99 G CA 0.367 45.070 45.100 -0.663 0.000 0.961 99 G HN 0.290 nan 8.290 nan 0.000 0.549 100 S N 1.047 116.419 115.700 -0.547 0.000 2.481 100 S HA 0.271 4.739 4.470 -0.003 0.000 0.231 100 S C 2.487 176.884 174.600 -0.337 0.000 0.996 100 S CA 1.692 59.561 58.200 -0.553 0.000 0.942 100 S CB -0.221 62.669 63.200 -0.516 0.000 0.768 100 S HN 1.847 nan 8.310 nan 0.000 0.520 101 A N 2.598 125.291 122.820 -0.212 0.000 2.172 101 A HA -0.022 4.296 4.320 -0.003 0.000 0.216 101 A C 1.767 179.282 177.584 -0.114 0.000 1.154 101 A CA 0.808 52.780 52.037 -0.109 0.000 0.701 101 A CB -0.472 18.509 19.000 -0.031 0.000 0.789 101 A HN 0.503 nan 8.150 nan 0.000 0.465 102 N N -0.235 118.362 118.700 -0.171 0.000 2.461 102 N HA 0.100 4.838 4.740 -0.003 0.000 0.188 102 N C -0.244 175.180 175.510 -0.142 0.000 1.134 102 N CA 0.324 53.287 53.050 -0.145 0.000 0.878 102 N CB 0.119 38.503 38.487 -0.170 0.000 0.972 102 N HN 0.439 nan 8.380 nan 0.000 0.456 103 L N 2.217 123.344 121.223 -0.161 0.000 2.325 103 L HA 0.379 4.717 4.340 -0.003 0.000 0.279 103 L C -1.943 174.875 176.870 -0.086 0.000 1.054 103 L CA -1.886 52.869 54.840 -0.140 0.000 0.804 103 L CB 1.076 43.022 42.059 -0.190 0.000 1.200 103 L HN -0.166 nan 8.230 nan 0.000 0.436 104 P HA -0.062 nan 4.420 nan 0.000 0.268 104 P C 0.989 178.273 177.300 -0.027 0.000 1.208 104 P CA -0.180 62.895 63.100 -0.040 0.000 0.777 104 P CB 1.148 32.828 31.700 -0.034 0.000 0.875 105 L N 2.047 123.262 121.223 -0.014 0.000 2.010 105 L HA -0.347 3.991 4.340 -0.003 0.000 0.219 105 L C 2.338 179.214 176.870 0.009 0.000 1.077 105 L CA 2.726 57.567 54.840 0.001 0.000 0.773 105 L CB -1.044 41.018 42.059 0.005 0.000 0.892 105 L HN 0.462 nan 8.230 nan 0.000 0.436 106 A N -0.286 122.538 122.820 0.006 0.000 1.873 106 A HA -0.304 4.014 4.320 -0.003 0.000 0.218 106 A C 2.231 179.829 177.584 0.022 0.000 1.193 106 A CA 2.321 54.366 52.037 0.013 0.000 0.629 106 A CB -0.555 18.449 19.000 0.007 0.000 0.826 106 A HN 0.492 nan 8.150 nan 0.000 0.447 107 K N -0.847 119.559 120.400 0.010 0.000 2.147 107 K HA -0.107 4.212 4.320 -0.003 0.000 0.205 107 K C 2.312 178.939 176.600 0.045 0.000 1.049 107 K CA 1.330 57.627 56.287 0.015 0.000 0.936 107 K CB -0.155 32.331 32.500 -0.024 0.000 0.722 107 K HN 0.438 nan 8.250 nan 0.000 0.446 108 R N 0.714 121.230 120.500 0.027 0.000 2.075 108 R HA -0.137 4.201 4.340 -0.003 0.000 0.232 108 R C 2.367 178.749 176.300 0.137 0.000 1.126 108 R CA 1.454 57.591 56.100 0.062 0.000 0.963 108 R CB -0.206 30.112 30.300 0.029 0.000 0.858 108 R HN 0.289 nan 8.270 nan 0.000 0.435 109 Q N 0.580 120.433 119.800 0.088 0.000 2.096 109 Q HA -0.222 4.116 4.340 -0.003 0.000 0.204 109 Q C 2.203 178.259 176.000 0.093 0.000 0.982 109 Q CA 1.585 57.437 55.803 0.081 0.000 0.850 109 Q CB -0.047 28.722 28.738 0.053 0.000 0.901 109 Q HN 0.442 nan 8.270 nan 0.000 0.422 110 Q N -0.460 119.398 119.800 0.096 0.000 2.020 110 Q HA -0.222 4.116 4.340 -0.003 0.000 0.202 110 Q C 1.785 177.868 176.000 0.140 0.000 0.982 110 Q CA 1.584 57.444 55.803 0.095 0.000 0.838 110 Q CB -0.319 28.469 28.738 0.084 0.000 0.899 110 Q HN 0.354 nan 8.270 nan 0.000 0.423 111 Y N 2.511 122.838 120.300 0.046 0.000 1.979 111 Y HA -0.359 4.189 4.550 -0.003 0.000 0.262 111 Y C 1.982 177.941 175.900 0.098 0.000 1.142 111 Y CA 2.118 60.271 58.100 0.087 0.000 1.096 111 Y CB -0.569 37.926 38.460 0.059 0.000 0.958 111 Y HN 0.178 nan 8.280 nan 0.000 0.484 112 N N 0.478 119.275 118.700 0.161 0.000 2.184 112 N HA -0.270 4.468 4.740 -0.003 0.000 0.190 112 N C 1.855 177.352 175.510 -0.022 0.000 1.011 112 N CA 1.477 54.549 53.050 0.036 0.000 0.867 112 N CB -0.763 37.777 38.487 0.089 0.000 0.993 112 N HN 0.555 nan 8.380 nan 0.000 0.433 113 A N 1.726 124.553 122.820 0.011 0.000 1.855 113 A HA -0.039 4.279 4.320 -0.003 0.000 0.215 113 A C 2.479 180.052 177.584 -0.019 0.000 1.191 113 A CA 0.804 52.844 52.037 0.004 0.000 0.613 113 A CB -0.797 18.219 19.000 0.026 0.000 0.829 113 A HN 0.167 nan 8.150 nan 0.000 0.442 114 L N -0.518 120.694 121.223 -0.019 0.000 1.990 114 L HA -0.269 4.069 4.340 -0.003 0.000 0.213 114 L C 2.676 179.488 176.870 -0.095 0.000 1.072 114 L CA 1.604 56.428 54.840 -0.026 0.000 0.755 114 L CB -0.779 41.291 42.059 0.019 0.000 0.889 114 L HN 0.396 nan 8.230 nan 0.000 0.432 115 L N -0.303 120.810 121.223 -0.183 0.000 1.971 115 L HA -0.276 4.062 4.340 -0.003 0.000 0.215 115 L C 2.844 179.630 176.870 -0.140 0.000 1.072 115 L CA 2.014 56.719 54.840 -0.224 0.000 0.758 115 L CB -0.721 41.181 42.059 -0.262 0.000 0.889 115 L HN 0.448 nan 8.230 nan 0.000 0.433 116 S N -1.080 114.549 115.700 -0.117 0.000 2.447 116 S HA -0.098 4.370 4.470 -0.003 0.000 0.233 116 S C 1.638 176.246 174.600 0.014 0.000 1.006 116 S CA 1.020 59.158 58.200 -0.103 0.000 0.957 116 S CB -0.388 62.709 63.200 -0.172 0.000 0.773 116 S HN 0.387 nan 8.310 nan 0.000 0.507 117 N N 1.950 120.651 118.700 0.001 0.000 2.148 117 N HA 0.188 4.926 4.740 -0.003 0.000 0.186 117 N C 1.797 177.329 175.510 0.035 0.000 1.031 117 N CA 1.483 54.552 53.050 0.032 0.000 0.848 117 N CB -0.570 37.930 38.487 0.022 0.000 1.005 117 N HN 0.374 nan 8.380 nan 0.000 0.427 118 M N 0.595 120.199 119.600 0.006 0.000 2.082 118 M HA -0.189 4.289 4.480 -0.003 0.000 0.258 118 M C 2.138 178.458 176.300 0.033 0.000 1.069 118 M CA 1.834 57.144 55.300 0.015 0.000 1.102 118 M CB -0.660 31.922 32.600 -0.030 0.000 1.336 118 M HN 0.235 nan 8.290 nan 0.000 0.404 119 S N -0.080 115.619 115.700 -0.001 0.000 2.419 119 S HA -0.146 4.322 4.470 -0.003 0.000 0.233 119 S C 1.989 176.678 174.600 0.148 0.000 1.016 119 S CA 0.925 59.146 58.200 0.035 0.000 0.974 119 S CB -0.453 62.765 63.200 0.029 0.000 0.786 119 S HN 0.434 nan 8.310 nan 0.000 0.492 120 R N 1.046 121.626 120.500 0.133 0.000 2.062 120 R HA 0.193 4.531 4.340 -0.003 0.000 0.226 120 R C 2.271 178.625 176.300 0.089 0.000 1.125 120 R CA 1.289 57.462 56.100 0.121 0.000 0.966 120 R CB -0.498 29.871 30.300 0.115 0.000 0.861 120 R HN 0.526 nan 8.270 nan 0.000 0.433 121 I N 0.235 120.850 120.570 0.075 0.000 2.286 121 I HA -0.305 3.863 4.170 -0.003 0.000 0.248 121 I C 2.259 178.395 176.117 0.031 0.000 1.115 121 I CA 1.283 62.607 61.300 0.039 0.000 1.392 121 I CB -0.416 37.603 38.000 0.032 0.000 1.065 121 I HN 0.208 nan 8.210 nan 0.000 0.418 122 Y N 1.250 121.548 120.300 -0.003 0.000 2.200 122 Y HA -0.193 4.355 4.550 -0.003 0.000 0.290 122 Y C 2.470 178.478 175.900 0.180 0.000 1.137 122 Y CA 1.656 59.776 58.100 0.034 0.000 1.163 122 Y CB 0.010 38.451 38.460 -0.031 0.000 0.988 122 Y HN -0.001 nan 8.280 nan 0.000 0.518 123 S N -1.218 114.573 115.700 0.152 0.000 2.605 123 S HA 0.037 4.505 4.470 -0.003 0.000 0.217 123 S C 1.295 175.943 174.600 0.079 0.000 0.958 123 S CA 0.825 59.108 58.200 0.139 0.000 0.919 123 S CB 0.081 63.420 63.200 0.231 0.000 0.780 123 S HN 0.463 nan 8.310 nan 0.000 0.507 124 T N 1.587 116.171 114.554 0.049 0.000 2.990 124 T HA 0.349 4.697 4.350 -0.003 0.000 0.249 124 T C 0.931 175.653 174.700 0.038 0.000 1.039 124 T CA 0.132 62.255 62.100 0.038 0.000 1.036 124 T CB 0.124 69.006 68.868 0.024 0.000 0.994 124 T HN 0.385 nan 8.240 nan 0.000 0.489 125 A N 2.284 125.113 122.820 0.016 0.000 2.587 125 A HA 0.321 4.639 4.320 -0.003 0.000 0.233 125 A C 0.275 177.936 177.584 0.129 0.000 1.049 125 A CA 0.623 52.660 52.037 -0.000 0.000 0.754 125 A CB 0.061 18.940 19.000 -0.202 0.000 0.977 125 A HN 0.421 nan 8.150 nan 0.000 0.509 126 K N 0.634 121.084 120.400 0.084 0.000 2.509 126 K HA 0.623 4.941 4.320 -0.003 0.000 0.266 126 K C -1.686 174.971 176.600 0.096 0.000 0.987 126 K CA -0.834 55.529 56.287 0.127 0.000 0.868 126 K CB 2.547 35.097 32.500 0.084 0.000 1.421 126 K HN 0.364 nan 8.250 nan 0.000 0.444 127 V N 1.613 121.609 119.914 0.136 0.000 2.409 127 V HA 0.301 4.419 4.120 -0.003 0.000 0.291 127 V C -0.641 175.459 176.094 0.010 0.000 1.020 127 V CA -0.751 61.591 62.300 0.070 0.000 0.848 127 V CB 1.227 33.138 31.823 0.147 0.000 0.990 127 V HN 0.829 nan 8.190 nan 0.000 0.430 128 c N 5.855 124.439 118.600 -0.026 0.000 2.391 128 c HA 0.693 5.261 4.570 -0.003 0.000 0.339 128 c C 0.078 174.180 174.090 0.019 0.000 1.205 128 c CA -0.941 55.353 56.329 -0.058 0.000 1.937 128 c CB 1.022 43.506 42.510 -0.043 0.000 2.341 128 c HN 0.658 nan 8.230 nan 0.000 0.516 129 L N 3.901 125.057 121.223 -0.112 0.000 2.436 129 L HA 0.293 4.631 4.340 -0.003 0.000 0.265 129 L C -1.131 175.692 176.870 -0.079 0.000 1.168 129 L CA -0.880 53.882 54.840 -0.130 0.000 0.815 129 L CB -0.366 41.484 42.059 -0.349 0.000 1.109 129 L HN 0.459 nan 8.230 nan 0.000 0.462 130 P HA -0.187 nan 4.420 nan 0.000 0.208 130 P C 1.221 178.478 177.300 -0.072 0.000 1.180 130 P CA 2.068 65.127 63.100 -0.069 0.000 0.935 130 P CB 0.096 31.721 31.700 -0.126 0.000 0.785 131 N N -1.220 117.424 118.700 -0.094 0.000 2.349 131 N HA 0.071 4.810 4.740 -0.003 0.000 0.180 131 N C 1.282 176.750 175.510 -0.070 0.000 1.024 131 N CA 1.170 54.177 53.050 -0.072 0.000 0.869 131 N CB -1.163 37.282 38.487 -0.070 0.000 1.022 131 N HN 0.341 nan 8.380 nan 0.000 0.433 132 K N 1.242 121.587 120.400 -0.090 0.000 2.307 132 K HA 0.508 4.826 4.320 -0.003 0.000 0.285 132 K C 1.032 177.582 176.600 -0.083 0.000 1.073 132 K CA 0.424 56.660 56.287 -0.084 0.000 0.996 132 K CB -1.468 30.972 32.500 -0.100 0.000 0.994 132 K HN 0.762 nan 8.250 nan 0.000 0.452 133 T N 0.448 114.966 114.554 -0.060 0.000 3.317 133 T HA 0.518 4.866 4.350 -0.003 0.000 0.250 133 T C 0.966 175.635 174.700 -0.053 0.000 1.106 133 T CA 0.584 62.653 62.100 -0.052 0.000 0.986 133 T CB -0.343 68.503 68.868 -0.037 0.000 1.010 133 T HN 1.091 nan 8.240 nan 0.000 0.560 134 A N 1.047 123.828 122.820 -0.064 0.000 2.386 134 A HA 0.627 4.945 4.320 -0.003 0.000 0.248 134 A C 1.112 178.649 177.584 -0.079 0.000 1.082 134 A CA 0.147 52.149 52.037 -0.058 0.000 0.789 134 A CB -0.843 18.124 19.000 -0.056 0.000 1.025 134 A HN 0.984 nan 8.150 nan 0.000 0.490 135 T N 0.961 115.485 114.554 -0.051 0.000 2.588 135 T HA 0.170 4.518 4.350 -0.003 0.000 0.236 135 T C 0.647 175.299 174.700 -0.080 0.000 1.027 135 T CA 0.703 62.782 62.100 -0.036 0.000 1.167 135 T CB -1.093 67.779 68.868 0.007 0.000 1.014 135 T HN 0.823 nan 8.240 nan 0.000 0.476 136 c N 3.929 122.495 118.600 -0.056 0.000 2.727 136 c HA 0.374 4.942 4.570 -0.003 0.000 0.401 136 c C 0.735 174.892 174.090 0.111 0.000 1.294 136 c CA -0.646 55.652 56.329 -0.051 0.000 2.134 136 c CB -0.241 42.276 42.510 0.011 0.000 2.724 136 c HN 0.785 nan 8.230 nan 0.000 0.677 137 W N 1.321 122.658 121.300 0.062 0.000 2.449 137 W HA 0.530 5.189 4.660 -0.002 0.000 0.331 137 W C 0.304 176.849 176.519 0.043 0.000 1.119 137 W CA -0.629 56.747 57.345 0.052 0.000 1.240 137 W CB 0.754 30.254 29.460 0.067 0.000 1.251 137 W HN 0.725 nan 8.180 nan 0.000 0.576 138 S N 1.733 117.580 115.700 0.245 0.000 2.526 138 S HA 0.310 4.778 4.470 -0.003 0.000 0.293 138 S C 0.480 175.070 174.600 -0.016 0.000 1.092 138 S CA -0.726 57.546 58.200 0.120 0.000 0.980 138 S CB 1.981 65.234 63.200 0.088 0.000 1.048 138 S HN 0.332 nan 8.310 nan 0.000 0.483 139 L N 2.397 123.526 121.223 -0.156 0.000 2.030 139 L HA -0.039 4.300 4.340 -0.003 0.000 0.222 139 L C 0.838 177.554 176.870 -0.257 0.000 1.082 139 L CA 3.062 57.615 54.840 -0.479 0.000 0.785 139 L CB -1.183 40.335 42.059 -0.902 0.000 0.895 139 L HN 1.028 nan 8.230 nan 0.000 0.439 140 D N -1.854 118.475 120.400 -0.119 0.000 2.492 140 D HA 0.512 5.150 4.640 -0.003 0.000 0.248 140 D C -2.085 174.207 176.300 -0.013 0.000 1.101 140 D CA -0.695 53.276 54.000 -0.050 0.000 0.840 140 D CB 1.154 41.957 40.800 0.005 0.000 1.209 140 D HN 0.256 nan 8.370 nan 0.000 0.524 141 P HA 0.111 nan 4.420 nan 0.000 0.242 141 P C 0.614 177.850 177.300 -0.105 0.000 1.176 141 P CA 0.151 63.223 63.100 -0.047 0.000 0.859 141 P CB 0.735 32.422 31.700 -0.023 0.000 1.010 142 D N 1.283 121.618 120.400 -0.109 0.000 2.204 142 D HA -0.190 4.448 4.640 -0.003 0.000 0.189 142 D C 2.159 178.255 176.300 -0.341 0.000 1.006 142 D CA 1.284 55.133 54.000 -0.252 0.000 0.855 142 D CB -0.758 39.911 40.800 -0.218 0.000 0.946 142 D HN 0.193 nan 8.370 nan 0.000 0.448 143 L N 0.619 121.691 121.223 -0.251 0.000 2.046 143 L HA -0.149 4.190 4.340 -0.003 0.000 0.208 143 L C 2.765 179.479 176.870 -0.260 0.000 1.077 143 L CA 1.250 55.935 54.840 -0.259 0.000 0.747 143 L CB -0.789 41.124 42.059 -0.244 0.000 0.896 143 L HN 0.064 nan 8.230 nan 0.000 0.432 144 T N -0.136 114.278 114.554 -0.234 0.000 2.652 144 T HA -0.170 4.178 4.350 -0.003 0.000 0.267 144 T C 1.706 176.321 174.700 -0.141 0.000 1.039 144 T CA 1.680 63.671 62.100 -0.181 0.000 1.153 144 T CB -0.285 68.516 68.868 -0.110 0.000 0.863 144 T HN 0.317 nan 8.240 nan 0.000 0.428 145 N N 1.267 119.883 118.700 -0.140 0.000 2.104 145 N HA -0.014 4.724 4.740 -0.003 0.000 0.190 145 N C 1.896 177.325 175.510 -0.135 0.000 1.024 145 N CA 0.971 53.950 53.050 -0.118 0.000 0.853 145 N CB -0.527 37.890 38.487 -0.117 0.000 1.008 145 N HN 0.431 nan 8.380 nan 0.000 0.424 146 I N 0.341 120.787 120.570 -0.207 0.000 2.361 146 I HA -0.223 3.945 4.170 -0.003 0.000 0.251 146 I C 1.694 177.746 176.117 -0.109 0.000 1.133 146 I CA 0.879 62.062 61.300 -0.196 0.000 1.413 146 I CB -0.178 37.632 38.000 -0.316 0.000 1.073 146 I HN 0.023 nan 8.210 nan 0.000 0.424 147 L N 0.390 121.547 121.223 -0.109 0.000 2.209 147 L HA 0.021 4.359 4.340 -0.003 0.000 0.207 147 L C 2.646 179.487 176.870 -0.047 0.000 1.094 147 L CA 1.179 55.976 54.840 -0.071 0.000 0.790 147 L CB -0.540 41.460 42.059 -0.098 0.000 0.932 147 L HN 0.140 nan 8.230 nan 0.000 0.447 148 A N -0.968 121.823 122.820 -0.049 0.000 1.968 148 A HA -0.088 4.230 4.320 -0.003 0.000 0.217 148 A C 2.053 179.636 177.584 -0.002 0.000 1.169 148 A CA 1.701 53.730 52.037 -0.014 0.000 0.638 148 A CB -0.262 18.729 19.000 -0.014 0.000 0.812 148 A HN 0.452 nan 8.150 nan 0.000 0.446 149 S N -2.206 113.484 115.700 -0.017 0.000 2.911 149 S HA 0.265 4.733 4.470 -0.003 0.000 0.261 149 S C 0.303 174.903 174.600 -0.000 0.000 1.021 149 S CA 0.395 58.594 58.200 -0.003 0.000 1.222 149 S CB -0.520 62.677 63.200 -0.005 0.000 1.171 149 S HN 0.429 nan 8.310 nan 0.000 0.669 150 S N 1.249 116.946 115.700 -0.005 0.000 2.513 150 S HA 0.574 5.042 4.470 -0.003 0.000 0.276 150 S C 0.288 174.923 174.600 0.058 0.000 1.254 150 S CA -0.470 57.739 58.200 0.015 0.000 1.053 150 S CB 0.772 63.970 63.200 -0.003 0.000 0.958 150 S HN 0.269 nan 8.310 nan 0.000 0.491 151 R N 2.426 122.978 120.500 0.086 0.000 2.552 151 R HA 0.274 4.612 4.340 -0.003 0.000 0.314 151 R C 0.087 176.539 176.300 0.254 0.000 1.041 151 R CA -0.042 56.157 56.100 0.166 0.000 1.076 151 R CB 0.297 30.642 30.300 0.075 0.000 1.290 151 R HN 0.518 nan 8.270 nan 0.000 0.563 152 S N -0.281 115.528 115.700 0.183 0.000 2.410 152 S HA 0.068 4.536 4.470 -0.003 0.000 0.304 152 S C 0.928 175.633 174.600 0.175 0.000 1.095 152 S CA -0.673 57.643 58.200 0.194 0.000 1.089 152 S CB 0.334 63.619 63.200 0.142 0.000 0.968 152 S HN 0.415 nan 8.310 nan 0.000 0.480 153 Y N 5.499 125.824 120.300 0.041 0.000 2.081 153 Y HA -0.198 4.350 4.550 -0.003 0.000 0.280 153 Y C 2.324 178.197 175.900 -0.045 0.000 1.163 153 Y CA 2.589 60.596 58.100 -0.154 0.000 1.135 153 Y CB -0.750 37.502 38.460 -0.346 0.000 0.970 153 Y HN 0.850 nan 8.280 nan 0.000 0.498 154 A N 0.213 123.146 122.820 0.188 0.000 1.883 154 A HA -0.301 4.017 4.320 -0.003 0.000 0.217 154 A C 2.426 180.134 177.584 0.207 0.000 1.186 154 A CA 2.180 54.333 52.037 0.192 0.000 0.624 154 A CB -1.017 18.136 19.000 0.255 0.000 0.822 154 A HN 0.694 nan 8.150 nan 0.000 0.444 155 M N -0.522 119.187 119.600 0.182 0.000 2.080 155 M HA -0.137 4.341 4.480 -0.003 0.000 0.260 155 M C 1.973 178.405 176.300 0.220 0.000 1.068 155 M CA 1.774 57.207 55.300 0.221 0.000 1.109 155 M CB -0.348 32.353 32.600 0.167 0.000 1.342 155 M HN 0.430 nan 8.290 nan 0.000 0.405 156 L N -0.274 121.017 121.223 0.113 0.000 2.042 156 L HA -0.234 4.104 4.340 -0.003 0.000 0.210 156 L C 2.438 179.375 176.870 0.112 0.000 1.076 156 L CA 0.798 55.703 54.840 0.108 0.000 0.749 156 L CB -1.020 41.072 42.059 0.054 0.000 0.893 156 L HN 0.391 nan 8.230 nan 0.000 0.432 157 L N -0.656 120.528 121.223 -0.065 0.000 2.079 157 L HA -0.240 4.099 4.340 -0.003 0.000 0.210 157 L C 2.320 179.293 176.870 0.172 0.000 1.081 157 L CA 1.697 56.380 54.840 -0.261 0.000 0.752 157 L CB -0.648 41.129 42.059 -0.470 0.000 0.896 157 L HN 0.102 nan 8.230 nan 0.000 0.433 158 F N 0.065 120.128 119.950 0.189 0.000 2.186 158 F HA -0.080 4.445 4.527 -0.003 0.000 0.299 158 F C 2.252 178.190 175.800 0.230 0.000 1.090 158 F CA 1.345 59.476 58.000 0.218 0.000 1.307 158 F CB -0.490 38.623 39.000 0.189 0.000 1.019 158 F HN 0.149 nan 8.300 nan 0.000 0.489 159 A N -1.186 121.800 122.820 0.276 0.000 1.970 159 A HA -0.153 4.165 4.320 -0.003 0.000 0.216 159 A C 2.051 179.726 177.584 0.150 0.000 1.170 159 A CA 1.002 53.157 52.037 0.197 0.000 0.645 159 A CB -1.625 17.489 19.000 0.191 0.000 0.816 159 A HN 0.670 nan 8.150 nan 0.000 0.447 160 W N 0.785 122.091 121.300 0.010 0.000 2.379 160 W HA -0.139 4.519 4.660 -0.003 0.000 0.307 160 W C 2.134 178.696 176.519 0.072 0.000 1.200 160 W CA 1.916 59.276 57.345 0.026 0.000 1.297 160 W CB 0.023 29.390 29.460 -0.156 0.000 1.140 160 W HN 0.472 nan 8.180 nan 0.000 0.507 161 E N -0.611 119.715 120.200 0.210 0.000 2.046 161 E HA -0.106 4.242 4.350 -0.003 0.000 0.190 161 E C 2.397 178.943 176.600 -0.091 0.000 0.982 161 E CA 1.456 57.901 56.400 0.073 0.000 0.800 161 E CB -0.782 28.989 29.700 0.120 0.000 0.756 161 E HN 0.292 nan 8.360 nan 0.000 0.449 162 G N 1.654 110.338 108.800 -0.192 0.000 2.514 162 G HA2 -0.323 3.635 3.960 -0.003 0.000 0.217 162 G HA3 -0.323 3.635 3.960 -0.003 0.000 0.217 162 G C 1.347 176.185 174.900 -0.103 0.000 1.198 162 G CA 0.870 45.818 45.100 -0.254 0.000 0.780 162 G HN 0.544 nan 8.290 nan 0.000 0.565 163 W N 0.923 122.108 121.300 -0.192 0.000 2.338 163 W HA -0.151 4.508 4.660 -0.002 0.000 0.304 163 W C 2.328 178.672 176.519 -0.292 0.000 1.212 163 W CA 1.633 58.842 57.345 -0.227 0.000 1.264 163 W CB -0.247 29.052 29.460 -0.270 0.000 1.142 163 W HN 0.429 nan 8.180 nan 0.000 0.512 164 H N 0.041 118.786 119.070 -0.541 0.000 2.428 164 H HA -0.097 4.457 4.556 -0.003 0.000 0.296 164 H C 2.014 177.104 175.328 -0.397 0.000 1.062 164 H CA 1.947 57.641 56.048 -0.591 0.000 1.350 164 H CB -0.332 29.006 29.762 -0.706 0.000 1.403 164 H HN 0.089 nan 8.280 nan 0.000 0.533 165 N N 0.090 118.682 118.700 -0.180 0.000 2.197 165 N HA -0.017 4.721 4.740 -0.003 0.000 0.184 165 N C 2.099 177.492 175.510 -0.196 0.000 1.030 165 N CA 1.095 54.094 53.050 -0.086 0.000 0.851 165 N CB -0.581 37.888 38.487 -0.031 0.000 1.003 165 N HN 0.330 nan 8.380 nan 0.000 0.430 166 A N 0.935 123.592 122.820 -0.272 0.000 1.917 166 A HA -0.091 4.227 4.320 -0.003 0.000 0.219 166 A C 2.223 179.544 177.584 -0.438 0.000 1.182 166 A CA 2.376 54.232 52.037 -0.301 0.000 0.633 166 A CB -0.670 18.174 19.000 -0.260 0.000 0.819 166 A HN 0.369 nan 8.150 nan 0.000 0.448 167 A N -1.459 120.907 122.820 -0.756 0.000 1.956 167 A HA 0.394 4.712 4.320 -0.003 0.000 0.212 167 A C 2.288 179.640 177.584 -0.387 0.000 1.188 167 A CA 1.357 52.927 52.037 -0.779 0.000 0.675 167 A CB -0.960 17.113 19.000 -1.545 0.000 0.845 167 A HN 0.624 nan 8.150 nan 0.000 0.455 168 G N 0.380 108.975 108.800 -0.341 0.000 2.456 168 G HA2 -0.084 3.874 3.960 -0.003 0.000 0.213 168 G HA3 -0.084 3.874 3.960 -0.003 0.000 0.213 168 G C 1.497 176.451 174.900 0.089 0.000 1.215 168 G CA 0.965 46.008 45.100 -0.094 0.000 0.805 168 G HN 0.363 nan 8.290 nan 0.000 0.537 169 I N 2.170 122.762 120.570 0.038 0.000 2.113 169 I HA -0.204 3.964 4.170 -0.003 0.000 0.242 169 I C 0.332 176.459 176.117 0.017 0.000 1.057 169 I CA 1.812 63.134 61.300 0.036 0.000 1.314 169 I CB -0.897 37.096 38.000 -0.012 0.000 1.022 169 I HN 0.256 nan 8.210 nan 0.000 0.408 170 P HA -0.138 nan 4.420 nan 0.000 0.219 170 P C 1.864 179.180 177.300 0.027 0.000 1.150 170 P CA 1.123 64.220 63.100 -0.006 0.000 0.814 170 P CB 0.021 31.704 31.700 -0.028 0.000 0.787 171 L N 0.674 121.939 121.223 0.070 0.000 2.093 171 L HA -0.042 4.296 4.340 -0.003 0.000 0.208 171 L C 2.638 179.579 176.870 0.118 0.000 1.085 171 L CA 1.636 56.559 54.840 0.137 0.000 0.755 171 L CB -1.588 40.599 42.059 0.213 0.000 0.904 171 L HN -0.100 nan 8.230 nan 0.000 0.435 172 K N 0.044 120.454 120.400 0.017 0.000 2.015 172 K HA -0.213 4.105 4.320 -0.003 0.000 0.220 172 K C -0.480 176.040 176.600 -0.132 0.000 1.055 172 K CA 2.510 58.610 56.287 -0.311 0.000 0.951 172 K CB -1.115 31.220 32.500 -0.276 0.000 0.725 172 K HN 0.264 nan 8.250 nan 0.000 0.449 173 P HA -0.196 nan 4.420 nan 0.000 0.216 173 P C 1.481 178.793 177.300 0.020 0.000 1.153 173 P CA 1.614 64.694 63.100 -0.034 0.000 0.858 173 P CB -0.159 31.524 31.700 -0.028 0.000 0.789 174 L N -2.424 118.830 121.223 0.051 0.000 2.093 174 L HA -0.166 4.172 4.340 -0.003 0.000 0.208 174 L C 2.958 179.913 176.870 0.142 0.000 1.085 174 L CA 1.516 56.406 54.840 0.084 0.000 0.755 174 L CB -1.289 40.820 42.059 0.082 0.000 0.904 174 L HN -0.084 nan 8.230 nan 0.000 0.435 175 Y N 1.443 121.787 120.300 0.072 0.000 2.181 175 Y HA -0.252 4.296 4.550 -0.004 0.000 0.288 175 Y C 2.536 178.566 175.900 0.217 0.000 1.146 175 Y CA 1.687 59.888 58.100 0.168 0.000 1.164 175 Y CB -0.119 38.415 38.460 0.124 0.000 0.982 175 Y HN 0.210 nan 8.280 nan 0.000 0.515 176 E N -0.500 119.813 120.200 0.189 0.000 2.118 176 E HA -0.231 4.117 4.350 -0.003 0.000 0.195 176 E C 1.608 178.226 176.600 0.030 0.000 0.992 176 E CA 1.372 57.845 56.400 0.122 0.000 0.804 176 E CB -0.151 29.559 29.700 0.017 0.000 0.741 176 E HN 0.514 nan 8.360 nan 0.000 0.458 177 D N 0.108 120.530 120.400 0.036 0.000 2.162 177 D HA -0.101 4.537 4.640 -0.003 0.000 0.203 177 D C 1.616 177.937 176.300 0.035 0.000 0.967 177 D CA 0.495 54.513 54.000 0.030 0.000 0.840 177 D CB -0.251 40.575 40.800 0.043 0.000 0.972 177 D HN 0.106 nan 8.370 nan 0.000 0.482 178 F N 1.793 121.694 119.950 -0.081 0.000 2.134 178 F HA -0.205 4.320 4.527 -0.004 0.000 0.299 178 F C 2.171 177.961 175.800 -0.016 0.000 1.097 178 F CA 1.456 59.411 58.000 -0.076 0.000 1.264 178 F CB -0.637 38.239 39.000 -0.207 0.000 1.001 178 F HN -0.171 nan 8.300 nan 0.000 0.479 179 T N 0.968 115.301 114.554 -0.368 0.000 2.708 179 T HA -0.173 4.175 4.350 -0.003 0.000 0.266 179 T C 2.254 176.850 174.700 -0.173 0.000 1.037 179 T CA 1.622 63.541 62.100 -0.301 0.000 1.146 179 T CB -0.927 67.841 68.868 -0.167 0.000 0.865 179 T HN 0.413 nan 8.240 nan 0.000 0.435 180 A N 1.149 123.904 122.820 -0.107 0.000 1.883 180 A HA -0.047 4.271 4.320 -0.003 0.000 0.217 180 A C 2.331 179.852 177.584 -0.106 0.000 1.186 180 A CA 1.374 53.368 52.037 -0.072 0.000 0.624 180 A CB -0.918 18.057 19.000 -0.042 0.000 0.822 180 A HN 0.468 nan 8.150 nan 0.000 0.444 181 L N -1.108 120.045 121.223 -0.116 0.000 1.994 181 L HA -0.167 4.171 4.340 -0.003 0.000 0.208 181 L C 2.925 179.663 176.870 -0.220 0.000 1.071 181 L CA 1.561 56.334 54.840 -0.112 0.000 0.745 181 L CB -0.616 41.467 42.059 0.039 0.000 0.892 181 L HN 0.477 nan 8.230 nan 0.000 0.431 182 S N -0.023 115.496 115.700 -0.302 0.000 2.380 182 S HA -0.235 4.233 4.470 -0.003 0.000 0.229 182 S C 1.830 176.288 174.600 -0.236 0.000 1.043 182 S CA 1.919 59.931 58.200 -0.314 0.000 1.038 182 S CB -0.251 62.636 63.200 -0.522 0.000 0.872 182 S HN 0.409 nan 8.310 nan 0.000 0.456 183 N N 1.122 119.696 118.700 -0.211 0.000 2.039 183 N HA -0.098 4.640 4.740 -0.003 0.000 0.193 183 N C 1.763 177.196 175.510 -0.127 0.000 1.044 183 N CA 1.446 54.405 53.050 -0.151 0.000 0.847 183 N CB -0.780 37.652 38.487 -0.092 0.000 1.030 183 N HN 0.626 nan 8.380 nan 0.000 0.422 184 E N 0.461 120.579 120.200 -0.136 0.000 2.114 184 E HA -0.254 4.095 4.350 -0.003 0.000 0.199 184 E C 1.678 178.171 176.600 -0.178 0.000 1.008 184 E CA 1.409 57.730 56.400 -0.131 0.000 0.810 184 E CB -0.064 29.562 29.700 -0.124 0.000 0.739 184 E HN 0.355 nan 8.360 nan 0.000 0.456 185 A N 0.249 122.897 122.820 -0.286 0.000 1.835 185 A HA -0.184 4.134 4.320 -0.003 0.000 0.215 185 A C 1.930 179.273 177.584 -0.401 0.000 1.199 185 A CA 1.639 53.422 52.037 -0.422 0.000 0.615 185 A CB -1.159 17.430 19.000 -0.684 0.000 0.838 185 A HN 0.482 nan 8.150 nan 0.000 0.444 186 Y N -0.314 119.844 120.300 -0.237 0.000 2.497 186 Y HA -0.092 4.456 4.550 -0.003 0.000 0.292 186 Y C 2.370 178.245 175.900 -0.042 0.000 1.137 186 Y CA 1.076 59.058 58.100 -0.197 0.000 1.285 186 Y CB 0.077 38.329 38.460 -0.348 0.000 0.991 186 Y HN 0.141 nan 8.280 nan 0.000 0.556 187 K N 0.622 121.044 120.400 0.038 0.000 2.097 187 K HA -0.222 4.096 4.320 -0.003 0.000 0.206 187 K C 2.310 178.923 176.600 0.022 0.000 1.049 187 K CA 1.556 57.862 56.287 0.031 0.000 0.933 187 K CB -0.277 32.210 32.500 -0.021 0.000 0.717 187 K HN 0.472 nan 8.250 nan 0.000 0.442 188 Q N 0.665 120.454 119.800 -0.020 0.000 2.378 188 Q HA -0.068 4.270 4.340 -0.003 0.000 0.205 188 Q C 1.238 177.240 176.000 0.002 0.000 0.954 188 Q CA 1.400 57.185 55.803 -0.030 0.000 0.901 188 Q CB -0.189 28.507 28.738 -0.071 0.000 0.981 188 Q HN 0.284 nan 8.270 nan 0.000 0.483 189 D N -1.181 119.262 120.400 0.071 0.000 2.328 189 D HA 0.256 4.894 4.640 -0.003 0.000 0.221 189 D C 1.109 177.474 176.300 0.109 0.000 1.072 189 D CA 0.918 55.006 54.000 0.147 0.000 0.850 189 D CB 0.684 41.654 40.800 0.284 0.000 0.922 189 D HN 0.629 nan 8.370 nan 0.000 0.516 190 G N 0.429 109.251 108.800 0.037 0.000 2.194 190 G HA2 -0.259 3.699 3.960 -0.003 0.000 0.236 190 G HA3 -0.259 3.699 3.960 -0.003 0.000 0.236 190 G C 0.203 174.990 174.900 -0.189 0.000 0.987 190 G CA -0.329 44.695 45.100 -0.127 0.000 0.635 190 G HN 0.225 nan 8.290 nan 0.000 0.520 191 F N 0.684 120.644 119.950 0.017 0.000 2.380 191 F HA 0.614 5.139 4.527 -0.003 0.000 0.321 191 F C 1.906 177.684 175.800 -0.038 0.000 1.103 191 F CA 0.239 58.234 58.000 -0.009 0.000 1.067 191 F CB 0.783 39.778 39.000 -0.008 0.000 1.265 191 F HN -0.086 nan 8.300 nan 0.000 0.517 192 T N -0.130 114.501 114.554 0.127 0.000 2.777 192 T HA -0.043 4.305 4.350 -0.003 0.000 0.266 192 T C -0.262 174.442 174.700 0.006 0.000 1.040 192 T CA 1.635 63.759 62.100 0.039 0.000 1.141 192 T CB -0.478 68.397 68.868 0.012 0.000 0.868 192 T HN 0.761 nan 8.240 nan 0.000 0.444 193 D N -1.692 118.684 120.400 -0.041 0.000 2.643 193 D HA 0.307 4.945 4.640 -0.003 0.000 0.283 193 D C 0.381 176.456 176.300 -0.376 0.000 1.242 193 D CA -0.651 53.254 54.000 -0.158 0.000 0.863 193 D CB 0.342 41.077 40.800 -0.108 0.000 1.382 193 D HN -0.234 nan 8.370 nan 0.000 0.444 194 T N -0.866 113.234 114.554 -0.758 0.000 2.929 194 T HA 0.020 4.368 4.350 -0.003 0.000 0.271 194 T C 1.853 175.766 174.700 -1.311 0.000 1.085 194 T CA 1.234 62.594 62.100 -1.234 0.000 1.125 194 T CB -0.624 67.126 68.868 -1.864 0.000 0.874 194 T HN 0.610 nan 8.240 nan 0.000 0.494 195 G N 1.572 109.837 108.800 -0.891 0.000 2.459 195 G HA2 -0.095 3.863 3.960 -0.003 0.000 0.217 195 G HA3 -0.095 3.863 3.960 -0.003 0.000 0.217 195 G C 1.861 176.516 174.900 -0.408 0.000 1.183 195 G CA 0.827 45.698 45.100 -0.382 0.000 0.776 195 G HN 0.584 nan 8.290 nan 0.000 0.552 196 A N -0.158 122.469 122.820 -0.322 0.000 1.940 196 A HA -0.072 4.246 4.320 -0.003 0.000 0.219 196 A C 2.245 179.668 177.584 -0.268 0.000 1.176 196 A CA 1.865 53.783 52.037 -0.199 0.000 0.631 196 A CB -0.696 18.307 19.000 0.006 0.000 0.814 196 A HN 0.532 nan 8.150 nan 0.000 0.446 197 Y N -0.930 118.942 120.300 -0.713 0.000 2.181 197 Y HA -0.217 4.331 4.550 -0.003 0.000 0.288 197 Y C 2.006 177.266 175.900 -1.067 0.000 1.146 197 Y CA 1.501 58.789 58.100 -1.353 0.000 1.164 197 Y CB -0.467 36.931 38.460 -1.769 0.000 0.982 197 Y HN 0.431 nan 8.280 nan 0.000 0.515 198 W N 0.943 121.466 121.300 -1.296 0.000 2.363 198 W HA -0.084 4.574 4.660 -0.003 0.000 0.296 198 W C 2.453 178.415 176.519 -0.927 0.000 1.212 198 W CA 1.600 58.081 57.345 -1.440 0.000 1.260 198 W CB -0.819 28.317 29.460 -0.540 0.000 1.131 198 W HN 0.077 nan 8.180 nan 0.000 0.530 199 R N 0.193 120.515 120.500 -0.295 0.000 2.193 199 R HA -0.058 4.280 4.340 -0.003 0.000 0.213 199 R C 2.224 178.441 176.300 -0.138 0.000 1.055 199 R CA 1.351 57.383 56.100 -0.113 0.000 0.995 199 R CB -0.759 29.430 30.300 -0.185 0.000 0.893 199 R HN 0.110 nan 8.270 nan 0.000 0.459 200 S N 0.000 115.558 115.700 -0.237 0.000 2.500 200 S HA -0.123 4.345 4.470 -0.003 0.000 0.239 200 S C 1.196 175.822 174.600 0.043 0.000 0.989 200 S CA 0.359 58.541 58.200 -0.031 0.000 0.951 200 S CB -0.255 63.051 63.200 0.178 0.000 0.759 200 S HN 0.395 nan 8.310 nan 0.000 0.523 201 W N 0.881 122.067 121.300 -0.191 0.000 2.699 201 W HA 0.207 4.865 4.660 -0.003 0.000 0.249 201 W C 0.890 177.156 176.519 -0.420 0.000 1.280 201 W CA -0.272 56.874 57.345 -0.331 0.000 1.345 201 W CB -1.103 28.048 29.460 -0.515 0.000 1.128 201 W HN 0.465 nan 8.180 nan 0.000 0.642 202 Y N -0.252 120.036 120.300 -0.021 0.000 2.462 202 Y HA 0.107 4.655 4.550 -0.003 0.000 0.261 202 Y C 1.061 177.169 175.900 0.348 0.000 1.146 202 Y CA -0.121 57.982 58.100 0.004 0.000 1.283 202 Y CB -0.639 37.454 38.460 -0.612 0.000 1.090 202 Y HN -0.163 nan 8.280 nan 0.000 0.526 203 N N 1.694 120.568 118.700 0.290 0.000 2.629 203 N HA -0.215 4.523 4.740 -0.003 0.000 0.278 203 N C -0.682 174.985 175.510 0.261 0.000 1.102 203 N CA 1.156 54.350 53.050 0.241 0.000 0.759 203 N CB -0.785 37.823 38.487 0.201 0.000 0.911 203 N HN 0.239 nan 8.380 nan 0.000 0.553 204 S N 1.182 117.032 115.700 0.249 0.000 2.614 204 S HA 0.395 4.863 4.470 -0.003 0.000 0.259 204 S C -1.821 172.915 174.600 0.228 0.000 1.118 204 S CA -0.906 57.457 58.200 0.272 0.000 1.065 204 S CB 1.385 64.854 63.200 0.448 0.000 1.121 204 S HN 0.156 nan 8.310 nan 0.000 0.458 205 P HA 0.040 nan 4.420 nan 0.000 0.231 205 P C 0.799 178.184 177.300 0.142 0.000 1.158 205 P CA 0.843 64.018 63.100 0.125 0.000 0.763 205 P CB 0.129 31.879 31.700 0.082 0.000 0.805 206 T N -2.564 112.105 114.554 0.191 0.000 3.040 206 T HA 0.135 4.483 4.350 -0.003 0.000 0.266 206 T C 0.934 175.787 174.700 0.255 0.000 1.005 206 T CA -0.586 61.626 62.100 0.185 0.000 0.906 206 T CB -0.617 68.344 68.868 0.154 0.000 1.082 206 T HN -0.251 nan 8.240 nan 0.000 0.531 207 F N 3.043 123.074 119.950 0.134 0.000 2.050 207 F HA -0.255 4.270 4.527 -0.003 0.000 0.294 207 F C 1.914 177.784 175.800 0.117 0.000 1.113 207 F CA 2.329 60.409 58.000 0.133 0.000 1.225 207 F CB -0.541 38.511 39.000 0.087 0.000 0.953 207 F HN 0.298 nan 8.300 nan 0.000 0.501 208 E N -0.460 119.703 120.200 -0.061 0.000 2.085 208 E HA -0.243 4.105 4.350 -0.003 0.000 0.194 208 E C 2.000 178.609 176.600 0.016 0.000 0.994 208 E CA 1.480 57.801 56.400 -0.131 0.000 0.801 208 E CB -0.337 29.331 29.700 -0.054 0.000 0.743 208 E HN 0.571 nan 8.360 nan 0.000 0.453 209 D N 0.826 121.271 120.400 0.075 0.000 2.117 209 D HA -0.127 4.511 4.640 -0.003 0.000 0.198 209 D C 1.468 177.859 176.300 0.151 0.000 0.982 209 D CA 0.861 54.930 54.000 0.115 0.000 0.828 209 D CB -0.203 40.656 40.800 0.099 0.000 0.967 209 D HN 0.136 nan 8.370 nan 0.000 0.464 210 D N 0.754 121.244 120.400 0.150 0.000 2.178 210 D HA -0.087 4.551 4.640 -0.003 0.000 0.201 210 D C 2.346 178.781 176.300 0.224 0.000 0.980 210 D CA 0.391 54.514 54.000 0.204 0.000 0.842 210 D CB -0.135 40.815 40.800 0.250 0.000 0.948 210 D HN 0.274 nan 8.370 nan 0.000 0.472 211 L N 0.387 121.689 121.223 0.133 0.000 2.131 211 L HA -0.044 4.294 4.340 -0.003 0.000 0.206 211 L C 2.475 179.482 176.870 0.227 0.000 1.087 211 L CA 0.726 55.678 54.840 0.188 0.000 0.767 211 L CB -0.253 41.810 42.059 0.007 0.000 0.917 211 L HN -0.034 nan 8.230 nan 0.000 0.441 212 E N -0.288 120.044 120.200 0.220 0.000 2.072 212 E HA -0.291 4.057 4.350 -0.003 0.000 0.191 212 E C 2.104 178.819 176.600 0.192 0.000 0.985 212 E CA 1.284 57.809 56.400 0.208 0.000 0.801 212 E CB 0.076 29.913 29.700 0.228 0.000 0.750 212 E HN 0.458 nan 8.360 nan 0.000 0.452 213 H N 0.335 119.479 119.070 0.124 0.000 2.326 213 H HA -0.038 4.516 4.556 -0.003 0.000 0.301 213 H C 2.098 177.492 175.328 0.110 0.000 1.081 213 H CA 1.653 57.764 56.048 0.105 0.000 1.334 213 H CB -0.246 29.577 29.762 0.102 0.000 1.385 213 H HN 0.136 nan 8.280 nan 0.000 0.504 214 L N -0.580 120.762 121.223 0.198 0.000 2.127 214 L HA -0.236 4.102 4.340 -0.003 0.000 0.211 214 L C 1.956 178.900 176.870 0.124 0.000 1.089 214 L CA 1.335 56.269 54.840 0.156 0.000 0.757 214 L CB -0.342 41.884 42.059 0.279 0.000 0.899 214 L HN 0.400 nan 8.230 nan 0.000 0.434 215 Y N 0.353 120.658 120.300 0.009 0.000 2.220 215 Y HA -0.236 4.312 4.550 -0.003 0.000 0.291 215 Y C 2.619 178.468 175.900 -0.085 0.000 1.129 215 Y CA 1.398 59.459 58.100 -0.065 0.000 1.161 215 Y CB -0.166 38.009 38.460 -0.475 0.000 0.997 215 Y HN 0.190 nan 8.280 nan 0.000 0.522 216 Q N -0.124 119.598 119.800 -0.131 0.000 2.112 216 Q HA -0.314 4.024 4.340 -0.003 0.000 0.206 216 Q C 2.199 178.056 176.000 -0.239 0.000 0.987 216 Q CA 2.136 57.830 55.803 -0.182 0.000 0.858 216 Q CB -0.324 28.339 28.738 -0.125 0.000 0.905 216 Q HN 0.622 nan 8.270 nan 0.000 0.420 217 Q N 0.044 119.700 119.800 -0.240 0.000 2.181 217 Q HA -0.152 4.186 4.340 -0.003 0.000 0.205 217 Q C 1.903 177.790 176.000 -0.188 0.000 0.980 217 Q CA 1.079 56.766 55.803 -0.195 0.000 0.862 217 Q CB 0.026 28.665 28.738 -0.166 0.000 0.905 217 Q HN 0.408 nan 8.270 nan 0.000 0.429 218 L N -0.788 120.282 121.223 -0.254 0.000 2.463 218 L HA 0.024 4.362 4.340 -0.003 0.000 0.219 218 L C 2.149 178.820 176.870 -0.331 0.000 1.088 218 L CA 0.133 54.816 54.840 -0.262 0.000 0.849 218 L CB -0.154 41.766 42.059 -0.231 0.000 1.012 218 L HN 0.170 nan 8.230 nan 0.000 0.468 219 E N 1.407 121.290 120.200 -0.527 0.000 2.108 219 E HA -0.257 4.091 4.350 -0.003 0.000 0.203 219 E C -0.651 175.871 176.600 -0.130 0.000 1.022 219 E CA 1.970 58.126 56.400 -0.407 0.000 0.823 219 E CB -0.596 28.894 29.700 -0.350 0.000 0.744 219 E HN 0.283 nan 8.360 nan 0.000 0.456 220 P HA -0.166 nan 4.420 nan 0.000 0.216 220 P C 1.242 178.503 177.300 -0.066 0.000 1.150 220 P CA 0.944 63.992 63.100 -0.087 0.000 0.843 220 P CB 0.015 31.660 31.700 -0.093 0.000 0.787 221 L N -2.203 118.970 121.223 -0.083 0.000 1.989 221 L HA -0.199 4.139 4.340 -0.003 0.000 0.211 221 L C 2.460 179.309 176.870 -0.034 0.000 1.071 221 L CA 1.875 56.661 54.840 -0.090 0.000 0.749 221 L CB -1.477 40.493 42.059 -0.148 0.000 0.890 221 L HN -0.046 nan 8.230 nan 0.000 0.431 222 Y N -0.288 119.953 120.300 -0.098 0.000 2.089 222 Y HA -0.252 4.296 4.550 -0.003 0.000 0.282 222 Y C 2.347 178.317 175.900 0.117 0.000 1.139 222 Y CA 1.610 59.705 58.100 -0.009 0.000 1.123 222 Y CB -0.537 37.958 38.460 0.059 0.000 0.980 222 Y HN 0.056 nan 8.280 nan 0.000 0.493 223 L N 0.400 121.630 121.223 0.011 0.000 2.103 223 L HA -0.359 3.979 4.340 -0.003 0.000 0.215 223 L C 2.267 179.124 176.870 -0.021 0.000 1.080 223 L CA 1.749 56.565 54.840 -0.040 0.000 0.764 223 L CB -0.699 41.336 42.059 -0.040 0.000 0.890 223 L HN 0.394 nan 8.230 nan 0.000 0.435 224 N N -0.229 118.457 118.700 -0.023 0.000 2.207 224 N HA -0.115 4.623 4.740 -0.003 0.000 0.182 224 N C 1.827 177.376 175.510 0.066 0.000 1.020 224 N CA 0.867 53.923 53.050 0.010 0.000 0.858 224 N CB -0.064 38.406 38.487 -0.030 0.000 0.991 224 N HN 0.170 nan 8.380 nan 0.000 0.427 225 L N 1.621 122.851 121.223 0.010 0.000 2.083 225 L HA -0.152 4.186 4.340 -0.003 0.000 0.209 225 L C 2.326 179.344 176.870 0.246 0.000 1.083 225 L CA 1.720 56.607 54.840 0.078 0.000 0.752 225 L CB -0.930 41.090 42.059 -0.066 0.000 0.899 225 L HN 0.276 nan 8.230 nan 0.000 0.433 226 H N 0.103 119.159 119.070 -0.023 0.000 2.253 226 H HA -0.136 4.418 4.556 -0.003 0.000 0.299 226 H C 2.004 177.423 175.328 0.153 0.000 1.064 226 H CA 1.954 58.059 56.048 0.096 0.000 1.264 226 H CB -0.304 29.348 29.762 -0.183 0.000 1.371 226 H HN 0.393 nan 8.280 nan 0.000 0.493 227 A N 0.541 123.626 122.820 0.443 0.000 1.948 227 A HA -0.222 4.096 4.320 -0.003 0.000 0.220 227 A C 2.517 180.228 177.584 0.212 0.000 1.177 227 A CA 1.701 53.920 52.037 0.304 0.000 0.636 227 A CB -1.349 17.753 19.000 0.170 0.000 0.815 227 A HN 0.534 nan 8.150 nan 0.000 0.449 228 F N 0.367 120.370 119.950 0.088 0.000 2.146 228 F HA -0.123 4.402 4.527 -0.003 0.000 0.298 228 F C 2.234 178.079 175.800 0.074 0.000 1.096 228 F CA 1.956 59.996 58.000 0.066 0.000 1.275 228 F CB -0.200 38.859 39.000 0.097 0.000 1.008 228 F HN 0.031 nan 8.300 nan 0.000 0.480 229 V N 0.698 120.723 119.914 0.185 0.000 2.379 229 V HA -0.209 3.909 4.120 -0.003 0.000 0.245 229 V C 2.523 178.557 176.094 -0.100 0.000 1.044 229 V CA 1.942 64.266 62.300 0.040 0.000 1.036 229 V CB -0.734 31.214 31.823 0.208 0.000 0.664 229 V HN 0.282 nan 8.190 nan 0.000 0.453 230 R N 0.375 120.822 120.500 -0.089 0.000 2.127 230 R HA -0.247 4.092 4.340 -0.003 0.000 0.238 230 R C 2.406 178.670 176.300 -0.061 0.000 1.134 230 R CA 1.965 58.003 56.100 -0.103 0.000 0.975 230 R CB -0.154 30.129 30.300 -0.029 0.000 0.865 230 R HN 0.443 nan 8.270 nan 0.000 0.447 231 R N 0.500 120.946 120.500 -0.090 0.000 2.057 231 R HA 0.027 4.365 4.340 -0.003 0.000 0.229 231 R C 2.013 178.236 176.300 -0.128 0.000 1.136 231 R CA 1.950 57.978 56.100 -0.121 0.000 0.952 231 R CB -0.886 29.312 30.300 -0.170 0.000 0.848 231 R HN 0.220 nan 8.270 nan 0.000 0.430 232 A N 1.016 123.693 122.820 -0.238 0.000 1.917 232 A HA -0.143 4.176 4.320 -0.003 0.000 0.219 232 A C 2.350 179.853 177.584 -0.134 0.000 1.182 232 A CA 1.797 53.698 52.037 -0.227 0.000 0.633 232 A CB -0.787 18.039 19.000 -0.291 0.000 0.819 232 A HN 0.398 nan 8.150 nan 0.000 0.448 233 L N -1.656 119.515 121.223 -0.087 0.000 2.056 233 L HA -0.188 4.150 4.340 -0.003 0.000 0.207 233 L C 2.732 179.623 176.870 0.036 0.000 1.078 233 L CA 1.545 56.375 54.840 -0.016 0.000 0.749 233 L CB -0.718 41.357 42.059 0.027 0.000 0.901 233 L HN 0.639 nan 8.230 nan 0.000 0.433 234 H N 0.904 119.943 119.070 -0.052 0.000 2.319 234 H HA -0.248 4.306 4.556 -0.003 0.000 0.297 234 H C 2.364 177.647 175.328 -0.075 0.000 1.097 234 H CA 2.062 58.083 56.048 -0.046 0.000 1.285 234 H CB 0.117 29.830 29.762 -0.082 0.000 1.368 234 H HN 0.136 nan 8.280 nan 0.000 0.495 235 R N 0.062 120.572 120.500 0.016 0.000 2.154 235 R HA -0.188 4.150 4.340 -0.003 0.000 0.248 235 R C 2.628 178.827 176.300 -0.170 0.000 1.155 235 R CA 2.238 58.300 56.100 -0.062 0.000 0.979 235 R CB -0.065 30.189 30.300 -0.075 0.000 0.869 235 R HN 0.319 nan 8.270 nan 0.000 0.452 236 R N -1.644 118.706 120.500 -0.250 0.000 2.146 236 R HA 0.009 4.347 4.340 -0.003 0.000 0.206 236 R C 1.161 177.199 176.300 -0.438 0.000 1.049 236 R CA 1.317 57.177 56.100 -0.399 0.000 1.029 236 R CB -0.227 29.717 30.300 -0.593 0.000 0.949 236 R HN 0.271 nan 8.270 nan 0.000 0.471 237 Y N 0.006 120.250 120.300 -0.092 0.000 2.478 237 Y HA 0.431 4.979 4.550 -0.003 0.000 0.261 237 Y C 1.105 176.906 175.900 -0.165 0.000 1.127 237 Y CA 0.255 58.324 58.100 -0.052 0.000 1.288 237 Y CB 0.953 39.440 38.460 0.044 0.000 1.084 237 Y HN 0.418 nan 8.280 nan 0.000 0.530 238 G N 0.665 109.340 108.800 -0.209 0.000 2.582 238 G HA2 -0.300 3.658 3.960 -0.003 0.000 0.222 238 G HA3 -0.300 3.658 3.960 -0.003 0.000 0.222 238 G C -0.322 174.229 174.900 -0.582 0.000 1.311 238 G CA 0.000 44.858 45.100 -0.405 0.000 0.915 238 G HN 0.212 nan 8.290 nan 0.000 0.528 239 D N -0.549 119.601 120.400 -0.416 0.000 2.346 239 D HA 0.308 4.946 4.640 -0.003 0.000 0.206 239 D C 2.806 179.020 176.300 -0.144 0.000 1.001 239 D CA 2.052 55.932 54.000 -0.199 0.000 0.871 239 D CB 0.010 40.778 40.800 -0.054 0.000 0.943 239 D HN 0.776 nan 8.370 nan 0.000 0.518 240 R N -0.342 119.993 120.500 -0.275 0.000 2.075 240 R HA 0.003 4.341 4.340 -0.003 0.000 0.226 240 R C 1.857 178.044 176.300 -0.188 0.000 1.114 240 R CA 1.386 57.294 56.100 -0.319 0.000 0.972 240 R CB -1.550 28.367 30.300 -0.637 0.000 0.869 240 R HN 0.424 nan 8.270 nan 0.000 0.437 241 Y N -0.733 119.522 120.300 -0.074 0.000 2.503 241 Y HA 0.368 4.916 4.550 -0.003 0.000 0.278 241 Y C 0.521 176.523 175.900 0.172 0.000 1.111 241 Y CA -0.522 57.533 58.100 -0.075 0.000 1.270 241 Y CB 0.879 39.041 38.460 -0.497 0.000 1.063 241 Y HN 0.029 nan 8.280 nan 0.000 0.548 242 I N 1.325 122.013 120.570 0.196 0.000 2.406 242 I HA 0.140 4.308 4.170 -0.003 0.000 0.290 242 I C -0.781 175.279 176.117 -0.096 0.000 0.999 242 I CA -0.707 60.665 61.300 0.120 0.000 1.124 242 I CB 1.404 39.482 38.000 0.131 0.000 1.289 242 I HN 0.118 nan 8.210 nan 0.000 0.441 243 N N 6.818 125.207 118.700 -0.518 0.000 2.437 243 N HA 0.273 5.011 4.740 -0.003 0.000 0.259 243 N C 0.554 175.840 175.510 -0.373 0.000 0.983 243 N CA -0.348 52.258 53.050 -0.740 0.000 0.937 243 N CB 1.407 38.872 38.487 -1.704 0.000 1.122 243 N HN 0.558 nan 8.380 nan 0.000 0.499 244 L N 2.616 123.678 121.223 -0.268 0.000 2.642 244 L HA 0.008 4.346 4.340 -0.003 0.000 0.236 244 L C 1.212 177.997 176.870 -0.142 0.000 1.169 244 L CA 0.755 55.469 54.840 -0.209 0.000 0.851 244 L CB -0.008 41.873 42.059 -0.298 0.000 0.968 244 L HN 0.411 nan 8.230 nan 0.000 0.453 245 R N -1.020 119.375 120.500 -0.174 0.000 2.590 245 R HA 0.271 4.609 4.340 -0.003 0.000 0.410 245 R C 0.233 176.501 176.300 -0.052 0.000 1.010 245 R CA -0.086 55.956 56.100 -0.098 0.000 1.155 245 R CB 1.275 31.500 30.300 -0.124 0.000 1.455 245 R HN 0.183 nan 8.270 nan 0.000 0.567 246 G N 0.241 108.989 108.800 -0.087 0.000 2.818 246 G HA2 0.488 4.446 3.960 -0.003 0.000 0.286 246 G HA3 0.488 4.446 3.960 -0.003 0.000 0.286 246 G C -2.897 172.087 174.900 0.141 0.000 1.364 246 G CA -1.580 43.541 45.100 0.034 0.000 0.938 246 G HN -0.203 nan 8.290 nan 0.000 0.490 247 P HA 0.280 nan 4.420 nan 0.000 0.272 247 P C -0.206 177.120 177.300 0.044 0.000 1.223 247 P CA -0.127 62.925 63.100 -0.079 0.000 0.784 247 P CB 1.373 32.921 31.700 -0.253 0.000 0.923 248 I N 2.850 123.380 120.570 -0.066 0.000 2.519 248 I HA 0.160 4.329 4.170 -0.003 0.000 0.287 248 I C -1.981 174.073 176.117 -0.106 0.000 1.047 248 I CA -2.492 58.746 61.300 -0.105 0.000 1.381 248 I CB 0.372 38.176 38.000 -0.326 0.000 1.417 248 I HN 0.129 nan 8.210 nan 0.000 0.540 249 P HA 0.045 nan 4.420 nan 0.000 0.270 249 P C 0.311 177.445 177.300 -0.277 0.000 1.242 249 P CA -0.090 62.913 63.100 -0.160 0.000 0.768 249 P CB 1.017 32.676 31.700 -0.068 0.000 0.820 250 A N 3.878 126.534 122.820 -0.273 0.000 2.214 250 A HA -0.213 4.105 4.320 -0.003 0.000 0.221 250 A C 1.350 178.750 177.584 -0.306 0.000 1.167 250 A CA 1.583 53.476 52.037 -0.239 0.000 0.670 250 A CB -1.199 17.751 19.000 -0.083 0.000 0.797 250 A HN 0.714 nan 8.150 nan 0.000 0.477 251 H N -2.263 116.428 119.070 -0.632 0.000 2.594 251 H HA 0.391 4.946 4.556 -0.003 0.000 0.279 251 H C 0.933 176.069 175.328 -0.321 0.000 1.042 251 H CA 0.097 55.884 56.048 -0.436 0.000 1.177 251 H CB -0.584 28.852 29.762 -0.544 0.000 1.524 251 H HN 0.456 nan 8.280 nan 0.000 0.537 252 L N 0.386 121.233 121.223 -0.627 0.000 2.664 252 L HA 0.117 4.455 4.340 -0.003 0.000 0.233 252 L C 1.139 177.815 176.870 -0.322 0.000 1.113 252 L CA -0.118 54.415 54.840 -0.511 0.000 0.896 252 L CB 0.289 41.995 42.059 -0.587 0.000 1.163 252 L HN 0.101 nan 8.230 nan 0.000 0.497 253 L N 0.835 121.831 121.223 -0.378 0.000 2.650 253 L HA 0.176 4.514 4.340 -0.003 0.000 0.235 253 L C 1.541 178.312 176.870 -0.166 0.000 1.149 253 L CA 1.099 55.665 54.840 -0.457 0.000 0.887 253 L CB -1.560 39.986 42.059 -0.854 0.000 1.021 253 L HN 0.484 nan 8.230 nan 0.000 0.441 254 G N 0.292 109.035 108.800 -0.096 0.000 2.143 254 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.248 254 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.248 254 G C 0.112 175.019 174.900 0.012 0.000 0.991 254 G CA 0.537 45.629 45.100 -0.013 0.000 0.689 254 G HN 0.467 nan 8.290 nan 0.000 0.522 255 D N -1.168 119.231 120.400 -0.001 0.000 2.977 255 D HA 0.335 4.973 4.640 -0.003 0.000 0.220 255 D C 1.293 177.527 176.300 -0.111 0.000 1.267 255 D CA -0.407 53.586 54.000 -0.012 0.000 0.884 255 D CB 1.033 41.909 40.800 0.126 0.000 1.667 255 D HN -0.057 nan 8.370 nan 0.000 0.536 256 M N 3.109 122.472 119.600 -0.394 0.000 2.195 256 M HA -0.134 4.344 4.480 -0.003 0.000 0.254 256 M C 0.682 176.622 176.300 -0.600 0.000 1.083 256 M CA 1.884 56.769 55.300 -0.691 0.000 1.069 256 M CB -0.236 31.461 32.600 -1.505 0.000 1.364 256 M HN 0.574 nan 8.290 nan 0.000 0.403 257 W N -1.467 119.914 121.300 0.135 0.000 3.008 257 W HA 0.584 5.242 4.660 -0.004 0.000 0.355 257 W C 1.179 177.631 176.519 -0.111 0.000 1.095 257 W CA 0.389 57.750 57.345 0.027 0.000 1.738 257 W CB -0.906 28.422 29.460 -0.221 0.000 1.091 257 W HN 0.412 nan 8.180 nan 0.000 0.574 258 A N 1.712 124.599 122.820 0.112 0.000 2.905 258 A HA -0.342 3.976 4.320 -0.003 0.000 0.260 258 A C 1.567 179.301 177.584 0.250 0.000 1.398 258 A CA 1.901 54.025 52.037 0.144 0.000 0.840 258 A CB -2.151 16.897 19.000 0.079 0.000 1.059 258 A HN 0.569 nan 8.150 nan 0.000 0.647 259 Q N -0.434 119.427 119.800 0.101 0.000 2.389 259 Q HA 0.246 4.584 4.340 -0.003 0.000 0.204 259 Q C 0.581 176.785 176.000 0.340 0.000 0.944 259 Q CA 1.179 57.009 55.803 0.046 0.000 0.908 259 Q CB -0.026 28.665 28.738 -0.080 0.000 1.002 259 Q HN 1.618 nan 8.270 nan 0.000 0.493 260 S N -1.101 114.844 115.700 0.408 0.000 2.603 260 S HA 0.308 4.777 4.470 -0.003 0.000 0.274 260 S C -0.991 173.928 174.600 0.533 0.000 1.168 260 S CA -0.995 57.408 58.200 0.338 0.000 0.963 260 S CB 0.304 63.659 63.200 0.258 0.000 1.078 260 S HN 0.338 nan 8.310 nan 0.000 0.477 261 W N 1.733 123.118 121.300 0.141 0.000 3.316 261 W HA 0.229 4.887 4.660 -0.003 0.000 0.327 261 W C 1.295 177.882 176.519 0.115 0.000 1.232 261 W CA -0.535 56.877 57.345 0.113 0.000 1.805 261 W CB -1.368 28.161 29.460 0.114 0.000 1.090 261 W HN 0.960 nan 8.180 nan 0.000 0.654 262 E N 0.253 120.623 120.200 0.284 0.000 2.393 262 E HA -0.221 4.127 4.350 -0.003 0.000 0.201 262 E C 1.304 178.013 176.600 0.181 0.000 1.025 262 E CA 1.188 57.702 56.400 0.189 0.000 0.856 262 E CB -0.460 29.294 29.700 0.091 0.000 0.771 262 E HN 0.071 nan 8.360 nan 0.000 0.526 263 N N 0.770 119.578 118.700 0.180 0.000 2.398 263 N HA 0.067 4.805 4.740 -0.003 0.000 0.188 263 N C 1.078 176.670 175.510 0.137 0.000 1.122 263 N CA 0.584 53.714 53.050 0.134 0.000 0.866 263 N CB 0.368 38.911 38.487 0.094 0.000 0.970 263 N HN 0.535 nan 8.380 nan 0.000 0.462 264 I N -3.554 117.123 120.570 0.178 0.000 4.009 264 I HA 0.163 4.332 4.170 -0.003 0.000 0.331 264 I C 1.592 177.808 176.117 0.165 0.000 1.462 264 I CA -0.522 60.857 61.300 0.132 0.000 1.117 264 I CB -0.313 37.738 38.000 0.085 0.000 1.091 264 I HN -0.228 nan 8.210 nan 0.000 0.410 265 Y N 4.096 124.451 120.300 0.090 0.000 2.132 265 Y HA -0.358 4.190 4.550 -0.003 0.000 0.280 265 Y C 2.217 178.152 175.900 0.058 0.000 1.193 265 Y CA 2.333 60.486 58.100 0.087 0.000 1.157 265 Y CB -0.327 38.179 38.460 0.078 0.000 0.966 265 Y HN 0.563 nan 8.280 nan 0.000 0.511 266 D N -0.889 119.485 120.400 -0.043 0.000 2.378 266 D HA -0.188 4.451 4.640 -0.003 0.000 0.222 266 D C 1.592 177.807 176.300 -0.142 0.000 0.980 266 D CA 1.210 55.120 54.000 -0.149 0.000 0.907 266 D CB -0.453 40.330 40.800 -0.028 0.000 0.899 266 D HN 0.502 nan 8.370 nan 0.000 0.527 267 M N 0.181 119.721 119.600 -0.100 0.000 2.367 267 M HA 0.039 4.517 4.480 -0.003 0.000 0.256 267 M C 1.631 177.860 176.300 -0.118 0.000 1.091 267 M CA 0.125 55.361 55.300 -0.106 0.000 1.049 267 M CB 1.395 33.943 32.600 -0.087 0.000 1.406 267 M HN 0.036 nan 8.290 nan 0.000 0.498 268 V N -4.670 115.186 119.914 -0.096 0.000 3.548 268 V HA 0.260 4.378 4.120 -0.003 0.000 0.279 268 V C 0.737 176.814 176.094 -0.029 0.000 1.446 268 V CA -0.408 61.861 62.300 -0.052 0.000 1.023 268 V CB 0.061 31.950 31.823 0.108 0.000 0.820 268 V HN 0.029 nan 8.190 nan 0.000 0.438 269 V N 5.298 125.063 119.914 -0.248 0.000 2.703 269 V HA 0.031 4.149 4.120 -0.003 0.000 0.300 269 V C 0.090 176.077 176.094 -0.178 0.000 1.063 269 V CA 0.548 62.615 62.300 -0.388 0.000 1.240 269 V CB 1.244 32.610 31.823 -0.762 0.000 0.845 269 V HN 0.480 nan 8.190 nan 0.000 0.476 270 P HA -0.110 nan 4.420 nan 0.000 0.212 270 P C 0.297 177.283 177.300 -0.524 0.000 1.180 270 P CA 1.303 64.194 63.100 -0.348 0.000 0.906 270 P CB 0.089 31.315 31.700 -0.791 0.000 0.782 271 F N 1.912 121.860 119.950 -0.004 0.000 2.309 271 F HA 0.388 4.913 4.527 -0.003 0.000 0.366 271 F C -1.543 174.251 175.800 -0.009 0.000 1.104 271 F CA -2.548 55.457 58.000 0.008 0.000 1.179 271 F CB 0.176 39.174 39.000 -0.003 0.000 1.437 271 F HN 0.037 nan 8.300 nan 0.000 0.528 272 P HA 0.195 nan 4.420 nan 0.000 0.307 272 P C 0.484 177.825 177.300 0.068 0.000 1.306 272 P CA 0.697 63.812 63.100 0.025 0.000 0.742 272 P CB 0.377 32.062 31.700 -0.025 0.000 1.349 273 D N -3.550 116.875 120.400 0.041 0.000 3.077 273 D HA -0.188 4.450 4.640 -0.003 0.000 0.217 273 D C 0.299 176.632 176.300 0.055 0.000 1.162 273 D CA 1.693 55.720 54.000 0.045 0.000 0.943 273 D CB -2.001 38.827 40.800 0.047 0.000 1.122 273 D HN 0.463 nan 8.370 nan 0.000 0.413 274 K N -0.313 120.128 120.400 0.069 0.000 2.313 274 K HA 0.663 4.981 4.320 -0.003 0.000 0.235 274 K C -2.395 174.249 176.600 0.074 0.000 1.035 274 K CA -1.145 55.185 56.287 0.072 0.000 0.868 274 K CB 1.768 34.324 32.500 0.093 0.000 1.232 274 K HN 0.208 nan 8.250 nan 0.000 0.459 275 P HA -0.068 nan 4.420 nan 0.000 0.263 275 P C -0.842 176.516 177.300 0.097 0.000 1.175 275 P CA 0.151 63.291 63.100 0.066 0.000 0.761 275 P CB 0.125 31.858 31.700 0.054 0.000 0.794 276 N N 2.686 121.442 118.700 0.094 0.000 2.458 276 N HA 0.078 4.816 4.740 -0.003 0.000 0.270 276 N C 0.339 175.921 175.510 0.121 0.000 1.102 276 N CA -0.270 52.866 53.050 0.144 0.000 0.967 276 N CB 0.052 38.609 38.487 0.117 0.000 1.078 276 N HN 0.354 nan 8.380 nan 0.000 0.471 277 L N 1.909 123.228 121.223 0.160 0.000 2.862 277 L HA 0.227 4.565 4.340 -0.003 0.000 0.240 277 L C 0.300 177.140 176.870 -0.050 0.000 1.283 277 L CA 0.111 54.975 54.840 0.039 0.000 1.117 277 L CB -0.961 41.117 42.059 0.031 0.000 1.444 277 L HN 0.748 nan 8.230 nan 0.000 0.456 278 D N -0.716 119.682 120.400 -0.003 0.000 2.400 278 D HA 0.351 4.989 4.640 -0.003 0.000 0.272 278 D C 1.049 177.318 176.300 -0.052 0.000 1.220 278 D CA -0.322 53.658 54.000 -0.033 0.000 0.897 278 D CB 0.871 41.686 40.800 0.025 0.000 1.134 278 D HN -0.036 nan 8.370 nan 0.000 0.507 279 V N 0.431 120.288 119.914 -0.095 0.000 2.636 279 V HA -0.251 3.867 4.120 -0.003 0.000 0.258 279 V C 3.078 179.066 176.094 -0.177 0.000 1.092 279 V CA 2.421 64.628 62.300 -0.156 0.000 1.110 279 V CB -0.820 30.864 31.823 -0.232 0.000 0.685 279 V HN 0.758 nan 8.190 nan 0.000 0.481 280 T N 0.643 115.120 114.554 -0.128 0.000 2.795 280 T HA -0.286 4.062 4.350 -0.003 0.000 0.266 280 T C 1.866 176.504 174.700 -0.104 0.000 1.056 280 T CA 2.426 64.460 62.100 -0.110 0.000 1.141 280 T CB -0.253 68.583 68.868 -0.053 0.000 0.840 280 T HN 0.846 nan 8.240 nan 0.000 0.493 281 S N -1.396 114.251 115.700 -0.088 0.000 2.503 281 S HA 0.060 4.528 4.470 -0.003 0.000 0.217 281 S C 1.924 176.467 174.600 -0.095 0.000 0.999 281 S CA 0.640 58.799 58.200 -0.069 0.000 0.914 281 S CB -0.049 63.131 63.200 -0.034 0.000 0.782 281 S HN 0.513 nan 8.310 nan 0.000 0.520 282 T N 2.116 116.580 114.554 -0.150 0.000 3.054 282 T HA 0.275 4.624 4.350 -0.003 0.000 0.259 282 T C 1.688 176.216 174.700 -0.286 0.000 1.092 282 T CA 0.511 62.508 62.100 -0.171 0.000 1.121 282 T CB -0.268 68.493 68.868 -0.178 0.000 0.912 282 T HN 0.286 nan 8.240 nan 0.000 0.489 283 M N 0.821 120.162 119.600 -0.433 0.000 2.086 283 M HA 0.028 4.506 4.480 -0.003 0.000 0.261 283 M C 2.032 178.180 176.300 -0.253 0.000 1.067 283 M CA 1.631 56.496 55.300 -0.725 0.000 1.116 283 M CB -0.568 31.645 32.600 -0.645 0.000 1.348 283 M HN 0.193 nan 8.290 nan 0.000 0.407 284 L N -0.645 120.513 121.223 -0.108 0.000 2.027 284 L HA -0.224 4.114 4.340 -0.003 0.000 0.206 284 L C 2.587 179.479 176.870 0.038 0.000 1.074 284 L CA 1.174 56.020 54.840 0.010 0.000 0.745 284 L CB -0.757 41.303 42.059 0.003 0.000 0.898 284 L HN 0.279 nan 8.230 nan 0.000 0.433 285 Q N 0.391 120.189 119.800 -0.002 0.000 2.133 285 Q HA -0.280 4.058 4.340 -0.003 0.000 0.208 285 Q C 2.142 178.187 176.000 0.075 0.000 0.991 285 Q CA 1.880 57.697 55.803 0.023 0.000 0.867 285 Q CB -0.095 28.639 28.738 -0.006 0.000 0.911 285 Q HN 0.473 nan 8.270 nan 0.000 0.417 286 Q N -1.728 118.142 119.800 0.117 0.000 2.451 286 Q HA 0.131 4.469 4.340 -0.003 0.000 0.206 286 Q C 0.382 176.568 176.000 0.310 0.000 0.947 286 Q CA 0.439 56.389 55.803 0.245 0.000 0.937 286 Q CB 0.477 29.459 28.738 0.405 0.000 1.025 286 Q HN 0.557 nan 8.270 nan 0.000 0.511 287 G N 0.756 109.723 108.800 0.279 0.000 2.248 287 G HA2 -0.196 3.762 3.960 -0.003 0.000 0.252 287 G HA3 -0.196 3.762 3.960 -0.003 0.000 0.252 287 G C -0.837 174.275 174.900 0.353 0.000 1.085 287 G CA -0.536 44.715 45.100 0.251 0.000 0.845 287 G HN 0.223 nan 8.290 nan 0.000 0.494 288 W N 0.688 122.039 121.300 0.084 0.000 2.489 288 W HA 0.454 5.112 4.660 -0.003 0.000 0.327 288 W C 0.828 177.428 176.519 0.136 0.000 1.436 288 W CA -0.511 56.891 57.345 0.095 0.000 1.315 288 W CB 0.043 29.470 29.460 -0.053 0.000 1.373 288 W HN 0.327 nan 8.180 nan 0.000 0.557 289 N N 1.575 120.447 118.700 0.287 0.000 2.354 289 N HA 0.272 5.010 4.740 -0.003 0.000 0.246 289 N C 1.146 176.820 175.510 0.274 0.000 1.285 289 N CA 0.599 53.786 53.050 0.228 0.000 0.925 289 N CB 0.949 39.535 38.487 0.166 0.000 1.174 289 N HN 0.412 nan 8.380 nan 0.000 0.478 290 A N -0.024 122.945 122.820 0.249 0.000 2.067 290 A HA -0.033 4.285 4.320 -0.003 0.000 0.217 290 A C 1.837 179.677 177.584 0.427 0.000 1.156 290 A CA 1.266 53.491 52.037 0.314 0.000 0.683 290 A CB -0.543 18.607 19.000 0.249 0.000 0.808 290 A HN 0.709 nan 8.150 nan 0.000 0.455 291 T N -1.252 113.500 114.554 0.329 0.000 2.851 291 T HA -0.092 4.256 4.350 -0.003 0.000 0.262 291 T C 1.924 176.869 174.700 0.409 0.000 1.043 291 T CA 1.314 63.646 62.100 0.386 0.000 1.140 291 T CB -0.451 68.558 68.868 0.234 0.000 0.872 291 T HN 0.618 nan 8.240 nan 0.000 0.446 292 H N 1.372 120.507 119.070 0.107 0.000 2.394 292 H HA -0.028 4.527 4.556 -0.003 0.000 0.297 292 H C 2.021 177.311 175.328 -0.062 0.000 1.113 292 H CA 1.560 57.544 56.048 -0.106 0.000 1.277 292 H CB -0.442 29.105 29.762 -0.359 0.000 1.370 292 H HN 0.347 nan 8.280 nan 0.000 0.506 293 M N -1.346 118.418 119.600 0.272 0.000 2.132 293 M HA -0.121 4.357 4.480 -0.003 0.000 0.263 293 M C 1.712 178.100 176.300 0.146 0.000 1.065 293 M CA 1.240 56.675 55.300 0.226 0.000 1.122 293 M CB -0.207 32.533 32.600 0.234 0.000 1.365 293 M HN 0.095 nan 8.290 nan 0.000 0.411 294 F N -0.382 119.710 119.950 0.236 0.000 2.771 294 F HA -0.006 4.519 4.527 -0.003 0.000 0.299 294 F C 2.237 178.240 175.800 0.337 0.000 1.177 294 F CA 0.814 58.955 58.000 0.235 0.000 1.450 294 F CB -0.333 38.813 39.000 0.244 0.000 1.114 294 F HN 0.024 nan 8.300 nan 0.000 0.587 295 R N -0.944 119.828 120.500 0.454 0.000 2.146 295 R HA 0.048 4.386 4.340 -0.003 0.000 0.206 295 R C 2.058 178.509 176.300 0.253 0.000 1.049 295 R CA 0.654 56.970 56.100 0.361 0.000 1.029 295 R CB -0.125 30.305 30.300 0.217 0.000 0.949 295 R HN 0.138 nan 8.270 nan 0.000 0.471 296 V N 0.869 120.915 119.914 0.220 0.000 2.379 296 V HA -0.132 3.986 4.120 -0.003 0.000 0.245 296 V C 2.416 178.665 176.094 0.257 0.000 1.044 296 V CA 1.889 64.332 62.300 0.238 0.000 1.036 296 V CB -0.619 31.353 31.823 0.247 0.000 0.664 296 V HN 0.310 nan 8.190 nan 0.000 0.453 297 A N 0.012 122.876 122.820 0.073 0.000 1.902 297 A HA -0.285 4.033 4.320 -0.003 0.000 0.217 297 A C 2.309 180.011 177.584 0.197 0.000 1.181 297 A CA 2.116 54.023 52.037 -0.215 0.000 0.623 297 A CB -0.503 18.096 19.000 -0.668 0.000 0.818 297 A HN 0.640 nan 8.150 nan 0.000 0.443 298 E N -0.363 119.952 120.200 0.192 0.000 2.031 298 E HA -0.244 4.104 4.350 -0.003 0.000 0.193 298 E C 2.059 178.864 176.600 0.341 0.000 0.994 298 E CA 1.185 57.724 56.400 0.232 0.000 0.800 298 E CB -0.273 29.573 29.700 0.243 0.000 0.752 298 E HN 0.658 nan 8.360 nan 0.000 0.447 299 E N -0.116 120.270 120.200 0.309 0.000 2.114 299 E HA -0.251 4.097 4.350 -0.003 0.000 0.199 299 E C 1.915 178.740 176.600 0.376 0.000 1.008 299 E CA 1.506 58.084 56.400 0.298 0.000 0.810 299 E CB -0.317 29.550 29.700 0.279 0.000 0.739 299 E HN 0.345 nan 8.360 nan 0.000 0.456 300 F N 0.137 120.293 119.950 0.344 0.000 2.046 300 F HA -0.256 4.270 4.527 -0.003 0.000 0.297 300 F C 2.102 178.011 175.800 0.182 0.000 1.123 300 F CA 1.838 60.044 58.000 0.344 0.000 1.199 300 F CB -0.543 38.621 39.000 0.274 0.000 0.972 300 F HN -0.005 nan 8.300 nan 0.000 0.474 301 F N 0.912 121.106 119.950 0.407 0.000 2.115 301 F HA -0.338 4.187 4.527 -0.003 0.000 0.300 301 F C 2.829 178.667 175.800 0.064 0.000 1.092 301 F CA 2.288 60.411 58.000 0.205 0.000 1.245 301 F CB -1.334 37.721 39.000 0.092 0.000 0.995 301 F HN 0.155 nan 8.300 nan 0.000 0.481 302 T N -2.723 111.975 114.554 0.240 0.000 2.737 302 T HA -0.210 4.138 4.350 -0.003 0.000 0.265 302 T C 2.213 176.909 174.700 -0.006 0.000 1.038 302 T CA 1.355 63.518 62.100 0.104 0.000 1.144 302 T CB -1.155 67.770 68.868 0.095 0.000 0.866 302 T HN 0.350 nan 8.240 nan 0.000 0.434 303 S N 2.468 118.120 115.700 -0.079 0.000 2.420 303 S HA -0.022 4.446 4.470 -0.003 0.000 0.237 303 S C 1.803 176.252 174.600 -0.251 0.000 1.023 303 S CA 0.971 59.027 58.200 -0.240 0.000 0.991 303 S CB -1.117 61.784 63.200 -0.498 0.000 0.792 303 S HN 0.613 nan 8.310 nan 0.000 0.488 304 L N 1.060 122.159 121.223 -0.206 0.000 2.645 304 L HA 0.347 4.685 4.340 -0.003 0.000 0.234 304 L C 1.398 178.211 176.870 -0.096 0.000 1.165 304 L CA 0.531 55.269 54.840 -0.170 0.000 0.944 304 L CB -1.852 40.119 42.059 -0.146 0.000 1.149 304 L HN 0.620 nan 8.230 nan 0.000 0.446 305 E N 0.321 120.476 120.200 -0.076 0.000 2.513 305 E HA -0.212 4.136 4.350 -0.003 0.000 0.257 305 E C -0.165 176.422 176.600 -0.021 0.000 1.098 305 E CA 1.163 57.535 56.400 -0.047 0.000 0.752 305 E CB -2.456 27.210 29.700 -0.056 0.000 1.324 305 E HN 0.534 nan 8.360 nan 0.000 0.403 306 L N 0.264 121.493 121.223 0.010 0.000 2.322 306 L HA 0.723 5.061 4.340 -0.003 0.000 0.269 306 L C 1.298 178.194 176.870 0.044 0.000 1.012 306 L CA -0.586 54.276 54.840 0.037 0.000 0.815 306 L CB 2.111 44.234 42.059 0.107 0.000 1.295 306 L HN 0.488 nan 8.230 nan 0.000 0.438 307 S N 1.431 117.138 115.700 0.012 0.000 2.572 307 S HA 0.362 4.830 4.470 -0.003 0.000 0.279 307 S C -2.331 172.260 174.600 -0.016 0.000 1.341 307 S CA -0.964 57.231 58.200 -0.008 0.000 1.043 307 S CB 0.518 63.694 63.200 -0.041 0.000 0.887 307 S HN 0.383 nan 8.310 nan 0.000 0.516 308 P HA 0.290 nan 4.420 nan 0.000 0.284 308 P C -0.585 176.691 177.300 -0.039 0.000 1.292 308 P CA -0.873 62.237 63.100 0.017 0.000 0.800 308 P CB 0.517 32.269 31.700 0.085 0.000 1.188 309 M N 0.565 120.155 119.600 -0.017 0.000 2.217 309 M HA 0.256 4.734 4.480 -0.003 0.000 0.352 309 M C -2.023 174.370 176.300 0.154 0.000 1.376 309 M CA -1.887 53.321 55.300 -0.154 0.000 1.107 309 M CB -0.958 31.386 32.600 -0.427 0.000 1.723 309 M HN 0.183 nan 8.290 nan 0.000 0.461 310 P HA 0.156 nan 4.420 nan 0.000 0.271 310 P C -1.994 175.524 177.300 0.363 0.000 1.233 310 P CA -0.888 62.345 63.100 0.222 0.000 0.789 310 P CB -0.064 31.771 31.700 0.226 0.000 0.951 311 P HA -0.122 nan 4.420 nan 0.000 0.219 311 P C 1.074 178.524 177.300 0.250 0.000 1.150 311 P CA 1.338 64.620 63.100 0.302 0.000 0.814 311 P CB 0.008 31.806 31.700 0.163 0.000 0.787 312 E N -1.095 119.205 120.200 0.168 0.000 2.097 312 E HA -0.212 4.136 4.350 -0.003 0.000 0.196 312 E C 1.685 178.318 176.600 0.054 0.000 1.000 312 E CA 1.115 57.555 56.400 0.066 0.000 0.804 312 E CB -1.199 28.509 29.700 0.014 0.000 0.740 312 E HN 0.271 nan 8.360 nan 0.000 0.454 313 F N -0.757 119.186 119.950 -0.012 0.000 2.134 313 F HA -0.173 4.352 4.527 -0.003 0.000 0.299 313 F C 1.533 177.222 175.800 -0.184 0.000 1.097 313 F CA 1.433 59.356 58.000 -0.129 0.000 1.264 313 F CB -0.291 38.593 39.000 -0.193 0.000 1.001 313 F HN 0.032 nan 8.300 nan 0.000 0.479 314 W N 0.567 121.869 121.300 0.004 0.000 2.467 314 W HA 0.050 4.708 4.660 -0.003 0.000 0.275 314 W C 2.681 179.097 176.519 -0.171 0.000 1.239 314 W CA 1.531 58.798 57.345 -0.130 0.000 1.266 314 W CB -0.807 28.682 29.460 0.048 0.000 1.112 314 W HN 0.153 nan 8.180 nan 0.000 0.576 315 E N -0.160 120.090 120.200 0.083 0.000 2.086 315 E HA 0.075 4.423 4.350 -0.003 0.000 0.190 315 E C 2.043 178.599 176.600 -0.073 0.000 0.975 315 E CA 1.127 57.535 56.400 0.013 0.000 0.813 315 E CB -1.205 28.503 29.700 0.013 0.000 0.768 315 E HN 0.246 nan 8.360 nan 0.000 0.457 316 G N -0.036 108.665 108.800 -0.166 0.000 3.042 316 G HA2 0.262 4.220 3.960 -0.003 0.000 0.212 316 G HA3 0.262 4.220 3.960 -0.003 0.000 0.212 316 G C 0.704 175.446 174.900 -0.263 0.000 1.166 316 G CA 0.638 45.594 45.100 -0.240 0.000 0.767 316 G HN 0.322 nan 8.290 nan 0.000 0.546 317 S N 0.116 115.611 115.700 -0.342 0.000 2.610 317 S HA 0.541 5.009 4.470 -0.003 0.000 0.273 317 S C -0.255 174.293 174.600 -0.087 0.000 1.274 317 S CA -0.376 57.640 58.200 -0.308 0.000 1.023 317 S CB 1.548 64.209 63.200 -0.899 0.000 0.962 317 S HN 0.222 nan 8.310 nan 0.000 0.523 318 M N 3.842 123.478 119.600 0.061 0.000 2.043 318 M HA 0.370 4.848 4.480 -0.003 0.000 0.322 318 M C -1.093 175.150 176.300 -0.095 0.000 0.962 318 M CA -0.390 54.898 55.300 -0.020 0.000 0.927 318 M CB -0.005 32.560 32.600 -0.057 0.000 1.466 318 M HN 0.596 nan 8.290 nan 0.000 0.412 319 L N 3.248 124.365 121.223 -0.175 0.000 2.818 319 L HA 0.445 4.783 4.340 -0.003 0.000 0.243 319 L C -0.296 176.568 176.870 -0.010 0.000 1.185 319 L CA 0.052 54.761 54.840 -0.217 0.000 0.988 319 L CB -0.005 41.689 42.059 -0.609 0.000 1.292 319 L HN 0.669 nan 8.230 nan 0.000 0.519 320 E N 0.184 120.387 120.200 0.005 0.000 2.392 320 E HA 0.248 4.596 4.350 -0.003 0.000 0.279 320 E C -1.120 175.495 176.600 0.024 0.000 0.964 320 E CA -0.888 55.538 56.400 0.043 0.000 0.777 320 E CB 2.602 32.328 29.700 0.044 0.000 1.249 320 E HN -0.062 nan 8.360 nan 0.000 0.449 321 K N 2.849 123.270 120.400 0.035 0.000 2.363 321 K HA 0.195 4.514 4.320 -0.003 0.000 0.289 321 K C -2.237 174.370 176.600 0.011 0.000 1.063 321 K CA -1.336 54.964 56.287 0.021 0.000 0.967 321 K CB 0.183 32.702 32.500 0.032 0.000 0.987 321 K HN 0.159 nan 8.250 nan 0.000 0.473 322 P HA -0.094 nan 4.420 nan 0.000 0.272 322 P C -0.517 176.783 177.300 0.000 0.000 1.243 322 P CA 0.058 63.152 63.100 -0.010 0.000 0.803 322 P CB 0.601 32.282 31.700 -0.030 0.000 0.974 323 A N -0.836 121.985 122.820 0.001 0.000 2.508 323 A HA 0.287 4.605 4.320 -0.003 0.000 0.250 323 A C 1.466 179.053 177.584 0.004 0.000 1.208 323 A CA 0.626 52.668 52.037 0.007 0.000 0.960 323 A CB -0.939 18.068 19.000 0.012 0.000 1.099 323 A HN 0.511 nan 8.150 nan 0.000 0.542 324 D N -0.610 119.788 120.400 -0.003 0.000 2.358 324 D HA 0.342 4.980 4.640 -0.003 0.000 0.241 324 D C 1.632 177.929 176.300 -0.005 0.000 1.094 324 D CA 0.864 54.861 54.000 -0.004 0.000 0.907 324 D CB -0.995 39.800 40.800 -0.010 0.000 0.893 324 D HN 1.494 nan 8.370 nan 0.000 0.528 325 G N 0.561 109.359 108.800 -0.002 0.000 2.245 325 G HA2 -0.349 3.609 3.960 -0.003 0.000 0.264 325 G HA3 -0.349 3.609 3.960 -0.003 0.000 0.264 325 G C 0.821 175.715 174.900 -0.009 0.000 0.985 325 G CA 0.229 45.328 45.100 -0.001 0.000 0.625 325 G HN 0.802 nan 8.290 nan 0.000 0.536 326 R N 0.926 121.415 120.500 -0.019 0.000 2.587 326 R HA 0.205 4.543 4.340 -0.003 0.000 0.268 326 R C 0.170 176.449 176.300 -0.035 0.000 0.978 326 R CA 0.599 56.678 56.100 -0.035 0.000 1.097 326 R CB 0.378 30.647 30.300 -0.051 0.000 0.917 326 R HN 0.533 nan 8.270 nan 0.000 0.414 327 E N 2.364 122.538 120.200 -0.044 0.000 2.146 327 E HA 0.253 4.602 4.350 -0.003 0.000 0.282 327 E C -0.737 175.826 176.600 -0.060 0.000 0.989 327 E CA -0.681 55.698 56.400 -0.036 0.000 0.799 327 E CB 1.138 30.820 29.700 -0.031 0.000 1.088 327 E HN 0.438 nan 8.360 nan 0.000 0.397 328 V N 1.243 121.136 119.914 -0.036 0.000 3.001 328 V HA 0.520 4.638 4.120 -0.003 0.000 0.314 328 V C -0.301 175.814 176.094 0.034 0.000 1.099 328 V CA -1.092 61.182 62.300 -0.043 0.000 0.989 328 V CB 1.861 33.643 31.823 -0.069 0.000 1.040 328 V HN 0.357 nan 8.190 nan 0.000 0.434 329 V N 2.384 122.339 119.914 0.069 0.000 2.341 329 V HA 0.024 4.142 4.120 -0.003 0.000 0.248 329 V C 1.456 177.676 176.094 0.209 0.000 1.107 329 V CA 0.192 62.615 62.300 0.206 0.000 1.069 329 V CB -0.456 31.539 31.823 0.288 0.000 1.177 329 V HN 1.142 nan 8.190 nan 0.000 0.492 330 c N 3.115 121.831 118.600 0.193 0.000 2.422 330 c HA -0.086 4.482 4.570 -0.003 0.000 0.286 330 c C 1.597 175.791 174.090 0.174 0.000 1.412 330 c CA 0.248 56.670 56.329 0.155 0.000 1.786 330 c CB -1.419 41.165 42.510 0.123 0.000 1.835 330 c HN 0.895 nan 8.230 nan 0.000 0.533 331 H N 0.479 119.601 119.070 0.087 0.000 3.094 331 H HA 0.341 4.895 4.556 -0.003 0.000 0.320 331 H C 0.507 175.803 175.328 -0.053 0.000 1.000 331 H CA 0.566 56.532 56.048 -0.138 0.000 1.413 331 H CB 0.412 29.737 29.762 -0.728 0.000 1.405 331 H HN 0.434 nan 8.280 nan 0.000 0.586 332 A N 4.193 126.839 122.820 -0.291 0.000 2.477 332 A HA 0.483 4.801 4.320 -0.003 0.000 0.246 332 A C -0.165 177.422 177.584 0.005 0.000 1.078 332 A CA 0.418 52.425 52.037 -0.050 0.000 0.770 332 A CB -0.042 18.942 19.000 -0.026 0.000 1.011 332 A HN 0.862 nan 8.150 nan 0.000 0.494 333 S N 0.025 115.865 115.700 0.233 0.000 2.615 333 S HA 0.804 5.272 4.470 -0.003 0.000 0.269 333 S C -0.702 174.143 174.600 0.408 0.000 1.161 333 S CA -0.216 58.133 58.200 0.248 0.000 0.817 333 S CB 1.310 64.627 63.200 0.195 0.000 1.131 333 S HN 2.138 nan 8.310 nan 0.000 0.467 334 A N 0.469 123.440 122.820 0.251 0.000 2.355 334 A HA 0.753 5.071 4.320 -0.003 0.000 0.317 334 A C -1.769 176.000 177.584 0.308 0.000 1.094 334 A CA -0.693 51.615 52.037 0.452 0.000 0.764 334 A CB 0.461 19.715 19.000 0.423 0.000 1.230 334 A HN 0.689 nan 8.150 nan 0.000 0.448 335 W N 0.955 122.430 121.300 0.292 0.000 2.529 335 W HA 0.549 5.207 4.660 -0.004 0.000 0.321 335 W C -0.598 175.845 176.519 -0.127 0.000 1.047 335 W CA -0.305 57.070 57.345 0.049 0.000 1.216 335 W CB 1.579 31.045 29.460 0.010 0.000 1.357 335 W HN 0.653 nan 8.180 nan 0.000 0.489 336 D N 1.975 122.198 120.400 -0.295 0.000 2.440 336 D HA 0.267 4.905 4.640 -0.003 0.000 0.239 336 D C -0.195 175.995 176.300 -0.184 0.000 1.084 336 D CA -0.596 53.099 54.000 -0.508 0.000 0.843 336 D CB 0.570 40.656 40.800 -1.191 0.000 1.097 336 D HN 0.160 nan 8.370 nan 0.000 0.531 337 F N 2.633 122.473 119.950 -0.183 0.000 2.804 337 F HA 0.105 4.631 4.527 -0.003 0.000 0.303 337 F C 0.498 176.393 175.800 0.159 0.000 1.154 337 F CA -0.146 57.842 58.000 -0.019 0.000 1.401 337 F CB -0.545 38.389 39.000 -0.111 0.000 1.106 337 F HN 0.409 nan 8.300 nan 0.000 0.568 338 Y N 0.218 120.514 120.300 -0.006 0.000 3.721 338 Y HA -0.325 4.223 4.550 -0.003 0.000 0.218 338 Y C 1.056 176.954 175.900 -0.002 0.000 1.188 338 Y CA 0.398 58.483 58.100 -0.024 0.000 1.607 338 Y CB -2.359 36.054 38.460 -0.078 0.000 1.496 338 Y HN 0.381 nan 8.280 nan 0.000 0.626 339 N N -0.766 117.966 118.700 0.055 0.000 2.241 339 N HA 0.182 4.920 4.740 -0.003 0.000 0.238 339 N C 0.574 176.037 175.510 -0.080 0.000 1.244 339 N CA 0.203 53.249 53.050 -0.007 0.000 0.880 339 N CB 0.256 38.745 38.487 0.003 0.000 1.179 339 N HN 0.400 nan 8.380 nan 0.000 0.513 340 R N -0.765 119.699 120.500 -0.059 0.000 4.018 340 R HA -0.228 4.110 4.340 -0.003 0.000 0.353 340 R C 0.965 177.311 176.300 0.078 0.000 1.214 340 R CA 1.850 58.026 56.100 0.128 0.000 1.059 340 R CB -1.077 29.298 30.300 0.125 0.000 1.512 340 R HN 0.383 nan 8.270 nan 0.000 0.566 341 K N -0.045 120.194 120.400 -0.268 0.000 2.410 341 K HA 0.055 4.373 4.320 -0.003 0.000 0.204 341 K C -0.537 175.824 176.600 -0.399 0.000 1.268 341 K CA 0.135 56.315 56.287 -0.178 0.000 0.896 341 K CB 0.669 33.083 32.500 -0.144 0.000 1.401 341 K HN -0.046 nan 8.250 nan 0.000 0.479 342 D N 0.564 120.577 120.400 -0.646 0.000 2.313 342 D HA 0.255 4.893 4.640 -0.003 0.000 0.239 342 D C -1.387 174.469 176.300 -0.739 0.000 1.142 342 D CA 0.060 53.668 54.000 -0.653 0.000 0.847 342 D CB 0.407 40.714 40.800 -0.821 0.000 1.082 342 D HN -0.029 nan 8.370 nan 0.000 0.480 343 F N 2.338 122.323 119.950 0.057 0.000 2.579 343 F HA 0.506 5.031 4.527 -0.003 0.000 0.325 343 F C 0.386 176.347 175.800 0.268 0.000 1.162 343 F CA -1.036 57.094 58.000 0.217 0.000 0.946 343 F CB 1.445 40.571 39.000 0.211 0.000 1.211 343 F HN -0.023 nan 8.300 nan 0.000 0.447 344 R N 2.867 123.623 120.500 0.427 0.000 2.855 344 R HA 0.814 5.152 4.340 -0.003 0.000 0.266 344 R C -1.573 174.989 176.300 0.437 0.000 1.034 344 R CA -1.187 55.045 56.100 0.220 0.000 0.944 344 R CB 2.845 32.877 30.300 -0.447 0.000 1.219 344 R HN 0.533 nan 8.270 nan 0.000 0.474 345 I N 0.975 121.741 120.570 0.326 0.000 2.509 345 I HA 0.340 4.508 4.170 -0.003 0.000 0.293 345 I C -0.597 175.774 176.117 0.422 0.000 1.020 345 I CA -0.804 60.796 61.300 0.500 0.000 1.088 345 I CB 2.236 40.558 38.000 0.536 0.000 1.267 345 I HN 0.373 nan 8.210 nan 0.000 0.430 346 K N 6.994 127.702 120.400 0.514 0.000 2.483 346 K HA 0.457 4.775 4.320 -0.003 0.000 0.256 346 K C -1.297 175.451 176.600 0.246 0.000 0.961 346 K CA -0.403 56.058 56.287 0.290 0.000 0.873 346 K CB 1.351 33.981 32.500 0.216 0.000 1.107 346 K HN 0.701 nan 8.250 nan 0.000 0.432 347 Q N 4.482 124.381 119.800 0.165 0.000 2.364 347 Q HA 0.172 4.510 4.340 -0.003 0.000 0.251 347 Q C -1.378 174.703 176.000 0.134 0.000 0.927 347 Q CA -0.651 55.255 55.803 0.172 0.000 0.924 347 Q CB 1.259 30.160 28.738 0.271 0.000 1.419 347 Q HN 0.791 nan 8.270 nan 0.000 0.427 348 c N 3.686 122.347 118.600 0.101 0.000 3.585 348 c HA 0.157 4.725 4.570 -0.003 0.000 0.575 348 c C 0.619 174.775 174.090 0.110 0.000 1.068 348 c CA -0.119 56.262 56.329 0.086 0.000 1.113 348 c CB -2.148 40.403 42.510 0.067 0.000 1.381 348 c HN 0.527 nan 8.230 nan 0.000 0.635 349 T N 3.345 117.995 114.554 0.160 0.000 2.817 349 T HA 0.122 4.470 4.350 -0.003 0.000 0.295 349 T C 0.652 175.447 174.700 0.159 0.000 0.958 349 T CA 0.622 62.839 62.100 0.195 0.000 1.157 349 T CB 0.358 69.434 68.868 0.347 0.000 0.898 349 T HN 0.532 nan 8.240 nan 0.000 0.536 350 R N 1.930 122.504 120.500 0.123 0.000 2.939 350 R HA 0.421 4.759 4.340 -0.003 0.000 0.254 350 R C -0.625 175.744 176.300 0.116 0.000 1.123 350 R CA -1.074 55.096 56.100 0.117 0.000 1.020 350 R CB 1.436 31.786 30.300 0.084 0.000 1.206 350 R HN 0.374 nan 8.270 nan 0.000 0.491 351 V N 2.676 122.661 119.914 0.118 0.000 2.399 351 V HA 0.073 4.191 4.120 -0.003 0.000 0.245 351 V C -0.034 176.090 176.094 0.050 0.000 1.089 351 V CA 0.973 63.339 62.300 0.111 0.000 1.196 351 V CB -0.627 31.273 31.823 0.127 0.000 1.221 351 V HN 0.582 nan 8.190 nan 0.000 0.482 352 T N 4.138 118.715 114.554 0.039 0.000 2.923 352 T HA 0.292 4.640 4.350 -0.003 0.000 0.311 352 T C 0.633 175.324 174.700 -0.015 0.000 1.183 352 T CA -0.589 61.512 62.100 0.002 0.000 1.020 352 T CB 2.158 71.034 68.868 0.013 0.000 1.165 352 T HN 0.439 nan 8.240 nan 0.000 0.482 353 M N 1.708 121.280 119.600 -0.047 0.000 2.065 353 M HA -0.133 4.345 4.480 -0.003 0.000 0.259 353 M C 1.509 177.788 176.300 -0.036 0.000 1.069 353 M CA 2.051 57.314 55.300 -0.061 0.000 1.110 353 M CB -0.163 32.389 32.600 -0.080 0.000 1.328 353 M HN 0.691 nan 8.290 nan 0.000 0.405 354 D N -0.590 119.797 120.400 -0.022 0.000 2.265 354 D HA -0.218 4.420 4.640 -0.003 0.000 0.208 354 D C 1.690 177.986 176.300 -0.005 0.000 0.977 354 D CA 1.008 55.000 54.000 -0.014 0.000 0.871 354 D CB -0.649 40.156 40.800 0.008 0.000 0.925 354 D HN 0.547 nan 8.370 nan 0.000 0.485 355 Q N -0.358 119.448 119.800 0.009 0.000 2.398 355 Q HA 0.050 4.388 4.340 -0.003 0.000 0.204 355 Q C 2.102 178.120 176.000 0.030 0.000 0.932 355 Q CA -0.045 55.774 55.803 0.026 0.000 0.916 355 Q CB 0.193 28.959 28.738 0.048 0.000 1.024 355 Q HN 0.254 nan 8.270 nan 0.000 0.504 356 L N 0.750 121.995 121.223 0.037 0.000 2.156 356 L HA -0.074 4.264 4.340 -0.003 0.000 0.208 356 L C 2.120 179.085 176.870 0.159 0.000 1.095 356 L CA 1.826 56.720 54.840 0.089 0.000 0.770 356 L CB -0.416 41.697 42.059 0.091 0.000 0.914 356 L HN 0.074 nan 8.230 nan 0.000 0.439 357 S N -3.225 112.500 115.700 0.043 0.000 2.446 357 S HA -0.083 4.385 4.470 -0.003 0.000 0.225 357 S C 1.789 176.426 174.600 0.061 0.000 1.016 357 S CA 0.993 59.192 58.200 -0.002 0.000 0.943 357 S CB -0.848 62.274 63.200 -0.130 0.000 0.786 357 S HN 0.427 nan 8.310 nan 0.000 0.508 358 T N 2.340 116.915 114.554 0.036 0.000 2.867 358 T HA 0.044 4.392 4.350 -0.003 0.000 0.268 358 T C 1.797 176.552 174.700 0.093 0.000 1.057 358 T CA 1.128 63.261 62.100 0.054 0.000 1.136 358 T CB -0.406 68.469 68.868 0.011 0.000 0.874 358 T HN 0.271 nan 8.240 nan 0.000 0.466 359 V N 0.847 120.755 119.914 -0.009 0.000 2.358 359 V HA -0.178 3.940 4.120 -0.003 0.000 0.246 359 V C 2.207 178.217 176.094 -0.139 0.000 1.047 359 V CA 1.767 63.926 62.300 -0.235 0.000 1.035 359 V CB -0.599 30.869 31.823 -0.591 0.000 0.658 359 V HN 0.523 nan 8.190 nan 0.000 0.452 360 H N -0.920 118.107 119.070 -0.070 0.000 2.353 360 H HA -0.174 4.380 4.556 -0.003 0.000 0.300 360 H C 2.271 177.614 175.328 0.026 0.000 1.090 360 H CA 2.049 58.103 56.048 0.010 0.000 1.327 360 H CB -0.427 29.304 29.762 -0.052 0.000 1.383 360 H HN 0.637 nan 8.280 nan 0.000 0.508 361 H N 0.832 119.935 119.070 0.054 0.000 2.319 361 H HA -0.140 4.414 4.556 -0.003 0.000 0.297 361 H C 1.869 177.187 175.328 -0.017 0.000 1.097 361 H CA 2.008 58.044 56.048 -0.020 0.000 1.285 361 H CB 0.184 29.937 29.762 -0.014 0.000 1.368 361 H HN 0.249 nan 8.280 nan 0.000 0.495 362 E N 0.282 120.511 120.200 0.048 0.000 2.047 362 E HA -0.155 4.193 4.350 -0.003 0.000 0.191 362 E C 2.445 179.047 176.600 0.005 0.000 0.987 362 E CA 1.043 57.515 56.400 0.120 0.000 0.799 362 E CB -0.334 29.532 29.700 0.277 0.000 0.752 362 E HN 0.606 nan 8.360 nan 0.000 0.449 363 M N 0.165 119.710 119.600 -0.092 0.000 2.260 363 M HA -0.116 4.362 4.480 -0.003 0.000 0.261 363 M C 2.225 178.286 176.300 -0.399 0.000 1.066 363 M CA 1.507 56.598 55.300 -0.348 0.000 1.082 363 M CB -0.767 31.482 32.600 -0.584 0.000 1.388 363 M HN 0.132 nan 8.290 nan 0.000 0.419 364 G N -0.814 107.884 108.800 -0.171 0.000 2.432 364 G HA2 -0.215 3.743 3.960 -0.003 0.000 0.219 364 G HA3 -0.215 3.743 3.960 -0.003 0.000 0.219 364 G C 1.263 176.005 174.900 -0.262 0.000 1.135 364 G CA 0.673 45.703 45.100 -0.116 0.000 0.767 364 G HN 0.446 nan 8.290 nan 0.000 0.550 365 H N 0.354 119.304 119.070 -0.201 0.000 2.333 365 H HA 0.014 4.569 4.556 -0.003 0.000 0.302 365 H C 2.786 177.688 175.328 -0.711 0.000 1.075 365 H CA 0.893 56.763 56.048 -0.297 0.000 1.348 365 H CB -0.121 29.515 29.762 -0.208 0.000 1.393 365 H HN 0.173 nan 8.280 nan 0.000 0.509 366 I N 1.082 121.509 120.570 -0.239 0.000 2.163 366 I HA -0.249 3.919 4.170 -0.003 0.000 0.243 366 I C 2.527 178.457 176.117 -0.312 0.000 1.085 366 I CA 1.228 62.449 61.300 -0.132 0.000 1.347 366 I CB -1.161 36.729 38.000 -0.184 0.000 1.044 366 I HN 0.207 nan 8.210 nan 0.000 0.408 367 Q N 0.006 119.581 119.800 -0.375 0.000 2.226 367 Q HA -0.209 4.130 4.340 -0.003 0.000 0.204 367 Q C 2.262 178.100 176.000 -0.269 0.000 0.975 367 Q CA 1.488 57.104 55.803 -0.313 0.000 0.866 367 Q CB -0.508 28.111 28.738 -0.198 0.000 0.915 367 Q HN 0.604 nan 8.270 nan 0.000 0.440 368 Y N -1.240 118.751 120.300 -0.516 0.000 2.263 368 Y HA -0.239 4.309 4.550 -0.003 0.000 0.292 368 Y C 1.404 176.755 175.900 -0.916 0.000 1.130 368 Y CA 0.861 58.524 58.100 -0.728 0.000 1.179 368 Y CB 0.109 38.011 38.460 -0.931 0.000 0.998 368 Y HN 0.210 nan 8.280 nan 0.000 0.532 369 Y N -0.068 120.051 120.300 -0.302 0.000 2.089 369 Y HA -0.330 4.218 4.550 -0.003 0.000 0.282 369 Y C 2.375 178.139 175.900 -0.227 0.000 1.139 369 Y CA 1.039 59.062 58.100 -0.128 0.000 1.123 369 Y CB -0.546 37.943 38.460 0.048 0.000 0.980 369 Y HN 0.020 nan 8.280 nan 0.000 0.493 370 L N -0.137 120.872 121.223 -0.357 0.000 2.081 370 L HA -0.296 4.042 4.340 -0.003 0.000 0.212 370 L C 2.432 179.220 176.870 -0.137 0.000 1.080 370 L CA 1.099 55.680 54.840 -0.433 0.000 0.754 370 L CB -0.589 41.222 42.059 -0.415 0.000 0.893 370 L HN 0.367 nan 8.230 nan 0.000 0.433 371 Q N -0.476 119.261 119.800 -0.106 0.000 2.137 371 Q HA -0.123 4.215 4.340 -0.003 0.000 0.198 371 Q C 1.779 177.860 176.000 0.135 0.000 0.960 371 Q CA 1.235 57.025 55.803 -0.021 0.000 0.847 371 Q CB -0.128 28.562 28.738 -0.080 0.000 0.915 371 Q HN 0.731 nan 8.270 nan 0.000 0.448 372 Y N 0.174 120.529 120.300 0.091 0.000 2.485 372 Y HA 0.320 4.868 4.550 -0.003 0.000 0.260 372 Y C 1.360 177.302 175.900 0.070 0.000 1.173 372 Y CA -0.626 57.525 58.100 0.084 0.000 1.252 372 Y CB -0.890 37.627 38.460 0.096 0.000 1.123 372 Y HN 0.046 nan 8.280 nan 0.000 0.524 373 K N 0.181 120.821 120.400 0.398 0.000 2.362 373 K HA -0.173 4.145 4.320 -0.003 0.000 0.202 373 K C -0.316 176.366 176.600 0.136 0.000 1.045 373 K CA 1.840 58.281 56.287 0.257 0.000 0.936 373 K CB -0.268 32.422 32.500 0.317 0.000 0.747 373 K HN 0.154 nan 8.250 nan 0.000 0.467 374 D N 1.330 121.805 120.400 0.124 0.000 3.072 374 D HA 0.237 4.875 4.640 -0.003 0.000 0.250 374 D C -0.401 175.932 176.300 0.055 0.000 1.304 374 D CA 0.128 54.175 54.000 0.079 0.000 0.861 374 D CB 0.099 40.944 40.800 0.075 0.000 1.062 374 D HN 0.202 nan 8.370 nan 0.000 0.481 375 L N -0.261 120.977 121.223 0.026 0.000 2.376 375 L HA 0.415 4.753 4.340 -0.003 0.000 0.258 375 L C -2.451 174.406 176.870 -0.022 0.000 1.013 375 L CA -2.364 52.478 54.840 0.004 0.000 0.822 375 L CB 2.216 44.268 42.059 -0.012 0.000 1.388 375 L HN -0.302 nan 8.230 nan 0.000 0.413 376 P HA -0.080 nan 4.420 nan 0.000 0.263 376 P C 0.796 178.076 177.300 -0.033 0.000 1.175 376 P CA 0.227 63.323 63.100 -0.008 0.000 0.761 376 P CB 0.741 32.458 31.700 0.029 0.000 0.794 377 V N 3.788 123.673 119.914 -0.048 0.000 2.250 377 V HA -0.316 3.802 4.120 -0.003 0.000 0.253 377 V C 1.882 177.986 176.094 0.018 0.000 1.065 377 V CA 2.945 65.233 62.300 -0.019 0.000 1.039 377 V CB -1.130 30.640 31.823 -0.088 0.000 0.647 377 V HN 0.760 nan 8.190 nan 0.000 0.446 378 S N -0.809 114.916 115.700 0.042 0.000 2.584 378 S HA -0.010 4.458 4.470 -0.003 0.000 0.240 378 S C 1.298 175.911 174.600 0.021 0.000 0.975 378 S CA 1.475 59.727 58.200 0.085 0.000 0.949 378 S CB -0.487 62.829 63.200 0.192 0.000 0.761 378 S HN 0.634 nan 8.310 nan 0.000 0.536 379 L N -0.166 121.035 121.223 -0.037 0.000 2.959 379 L HA 0.332 4.670 4.340 -0.003 0.000 0.259 379 L C 0.605 177.325 176.870 -0.250 0.000 1.185 379 L CA -0.260 54.530 54.840 -0.084 0.000 0.998 379 L CB 0.145 42.181 42.059 -0.039 0.000 1.337 379 L HN 0.089 nan 8.230 nan 0.000 0.555 380 R N 1.291 121.564 120.500 -0.379 0.000 4.138 380 R HA 0.279 4.617 4.340 -0.003 0.000 0.206 380 R C -0.403 175.514 176.300 -0.638 0.000 1.667 380 R CA -0.251 55.250 56.100 -0.999 0.000 1.481 380 R CB -0.023 29.784 30.300 -0.822 0.000 1.388 380 R HN 0.045 nan 8.270 nan 0.000 0.776 381 R N -0.433 119.879 120.500 -0.313 0.000 2.869 381 R HA 0.499 4.837 4.340 -0.003 0.000 0.263 381 R C 0.109 176.451 176.300 0.070 0.000 1.066 381 R CA -1.236 54.869 56.100 0.009 0.000 0.960 381 R CB 0.910 31.141 30.300 -0.115 0.000 1.221 381 R HN 0.422 nan 8.270 nan 0.000 0.474 382 G N -0.533 108.249 108.800 -0.030 0.000 2.528 382 G HA2 0.437 4.396 3.960 -0.003 0.000 0.289 382 G HA3 0.437 4.396 3.960 -0.003 0.000 0.289 382 G C 0.724 175.567 174.900 -0.095 0.000 1.192 382 G CA 0.061 45.016 45.100 -0.241 0.000 0.921 382 G HN 0.521 nan 8.290 nan 0.000 0.512 383 A N 0.653 123.380 122.820 -0.156 0.000 1.940 383 A HA -0.071 4.247 4.320 -0.003 0.000 0.221 383 A C 1.191 178.588 177.584 -0.313 0.000 1.190 383 A CA 2.356 54.148 52.037 -0.408 0.000 0.647 383 A CB -0.730 17.522 19.000 -1.246 0.000 0.821 383 A HN 1.220 nan 8.150 nan 0.000 0.457 384 N N -4.925 113.587 118.700 -0.313 0.000 2.710 384 N HA 0.414 5.152 4.740 -0.003 0.000 0.257 384 N C -2.842 172.614 175.510 -0.090 0.000 1.327 384 N CA -1.742 51.131 53.050 -0.295 0.000 0.861 384 N CB 0.548 38.727 38.487 -0.512 0.000 1.532 384 N HN -0.241 nan 8.380 nan 0.000 0.499 385 P HA -0.128 nan 4.420 nan 0.000 0.218 385 P C 1.280 178.666 177.300 0.143 0.000 1.150 385 P CA 2.387 65.462 63.100 -0.042 0.000 0.841 385 P CB -0.036 31.611 31.700 -0.088 0.000 0.784 386 G N -1.308 107.629 108.800 0.229 0.000 2.421 386 G HA2 -0.263 3.695 3.960 -0.003 0.000 0.216 386 G HA3 -0.263 3.695 3.960 -0.003 0.000 0.216 386 G C 1.182 176.222 174.900 0.233 0.000 1.171 386 G CA 0.456 45.695 45.100 0.232 0.000 0.775 386 G HN 0.137 nan 8.290 nan 0.000 0.543 387 F N 0.626 120.631 119.950 0.091 0.000 2.120 387 F HA -0.083 4.442 4.527 -0.003 0.000 0.300 387 F C 2.574 178.515 175.800 0.236 0.000 1.095 387 F CA 1.241 59.356 58.000 0.191 0.000 1.249 387 F CB -0.737 38.454 39.000 0.318 0.000 0.995 387 F HN 0.168 nan 8.300 nan 0.000 0.480 388 H N 0.555 119.878 119.070 0.421 0.000 2.293 388 H HA -0.109 4.445 4.556 -0.003 0.000 0.300 388 H C 2.032 177.436 175.328 0.126 0.000 1.082 388 H CA 1.760 58.010 56.048 0.337 0.000 1.308 388 H CB -0.064 29.834 29.762 0.226 0.000 1.375 388 H HN 0.167 nan 8.280 nan 0.000 0.495 389 E N 0.228 120.612 120.200 0.306 0.000 2.338 389 E HA -0.052 4.296 4.350 -0.003 0.000 0.197 389 E C 2.119 178.772 176.600 0.088 0.000 1.007 389 E CA 0.649 57.196 56.400 0.244 0.000 0.849 389 E CB -0.153 29.715 29.700 0.281 0.000 0.774 389 E HN 0.461 nan 8.360 nan 0.000 0.506 390 A N 1.473 124.287 122.820 -0.011 0.000 1.855 390 A HA -0.090 4.228 4.320 -0.003 0.000 0.213 390 A C 2.075 179.570 177.584 -0.149 0.000 1.195 390 A CA 0.531 52.466 52.037 -0.169 0.000 0.610 390 A CB -0.307 18.465 19.000 -0.380 0.000 0.837 390 A HN 0.095 nan 8.150 nan 0.000 0.444 391 I N 0.550 121.070 120.570 -0.083 0.000 2.178 391 I HA -0.341 3.827 4.170 -0.003 0.000 0.243 391 I C 2.502 178.534 176.117 -0.142 0.000 1.019 391 I CA 2.038 63.268 61.300 -0.115 0.000 1.294 391 I CB -2.024 35.849 38.000 -0.210 0.000 0.996 391 I HN 0.365 nan 8.210 nan 0.000 0.415 392 G N -0.562 108.135 108.800 -0.172 0.000 2.430 392 G HA2 -0.168 3.790 3.960 -0.003 0.000 0.216 392 G HA3 -0.168 3.790 3.960 -0.003 0.000 0.216 392 G C 1.262 176.074 174.900 -0.147 0.000 1.146 392 G CA 0.654 45.702 45.100 -0.087 0.000 0.793 392 G HN 0.339 nan 8.290 nan 0.000 0.537 393 D N 0.217 120.510 120.400 -0.180 0.000 2.117 393 D HA -0.069 4.570 4.640 -0.003 0.000 0.198 393 D C 2.729 178.761 176.300 -0.446 0.000 0.982 393 D CA 0.523 54.335 54.000 -0.314 0.000 0.828 393 D CB -0.124 40.444 40.800 -0.387 0.000 0.967 393 D HN 0.144 nan 8.370 nan 0.000 0.464 394 V N 0.580 120.263 119.914 -0.385 0.000 2.215 394 V HA -0.291 3.827 4.120 -0.003 0.000 0.249 394 V C 2.363 178.197 176.094 -0.434 0.000 1.054 394 V CA 1.519 63.593 62.300 -0.377 0.000 1.012 394 V CB -0.665 31.069 31.823 -0.150 0.000 0.639 394 V HN 0.181 nan 8.190 nan 0.000 0.448 395 L N 0.408 121.375 121.223 -0.427 0.000 2.189 395 L HA -0.189 4.150 4.340 -0.003 0.000 0.214 395 L C 2.524 178.918 176.870 -0.793 0.000 1.097 395 L CA 2.127 56.568 54.840 -0.665 0.000 0.764 395 L CB -1.190 40.365 42.059 -0.840 0.000 0.900 395 L HN 0.346 nan 8.230 nan 0.000 0.436 396 A N -0.676 121.781 122.820 -0.605 0.000 1.933 396 A HA -0.147 4.172 4.320 -0.003 0.000 0.218 396 A C 2.318 179.559 177.584 -0.572 0.000 1.175 396 A CA 1.392 53.059 52.037 -0.618 0.000 0.628 396 A CB -0.675 18.051 19.000 -0.457 0.000 0.814 396 A HN 0.370 nan 8.150 nan 0.000 0.444 397 L N -0.253 120.610 121.223 -0.600 0.000 2.013 397 L HA -0.238 4.100 4.340 -0.003 0.000 0.212 397 L C 2.857 179.475 176.870 -0.420 0.000 1.073 397 L CA 1.792 56.274 54.840 -0.597 0.000 0.753 397 L CB -0.502 40.925 42.059 -1.053 0.000 0.890 397 L HN 0.355 nan 8.230 nan 0.000 0.432 398 S N -0.810 114.629 115.700 -0.436 0.000 2.402 398 S HA -0.117 4.351 4.470 -0.003 0.000 0.229 398 S C 1.953 176.266 174.600 -0.479 0.000 1.021 398 S CA 1.129 59.154 58.200 -0.291 0.000 0.974 398 S CB -0.148 62.979 63.200 -0.123 0.000 0.800 398 S HN 0.202 nan 8.310 nan 0.000 0.484 399 V N 1.671 121.203 119.914 -0.636 0.000 2.379 399 V HA -0.099 4.019 4.120 -0.003 0.000 0.245 399 V C 2.287 178.254 176.094 -0.211 0.000 1.044 399 V CA 1.647 63.615 62.300 -0.554 0.000 1.036 399 V CB -0.959 30.492 31.823 -0.620 0.000 0.664 399 V HN 0.412 nan 8.190 nan 0.000 0.453 400 S N 0.152 115.727 115.700 -0.209 0.000 2.419 400 S HA -0.112 4.356 4.470 -0.003 0.000 0.233 400 S C 1.281 175.881 174.600 0.000 0.000 1.016 400 S CA 1.171 59.342 58.200 -0.049 0.000 0.974 400 S CB -0.617 62.590 63.200 0.012 0.000 0.786 400 S HN 0.858 nan 8.310 nan 0.000 0.492 401 T N 1.264 115.762 114.554 -0.093 0.000 2.905 401 T HA 0.069 4.417 4.350 -0.003 0.000 0.299 401 T C -1.978 172.559 174.700 -0.271 0.000 1.024 401 T CA -1.127 60.773 62.100 -0.335 0.000 1.151 401 T CB 0.530 69.273 68.868 -0.208 0.000 0.987 401 T HN -0.031 nan 8.240 nan 0.000 0.535 402 P HA -0.025 nan 4.420 nan 0.000 0.218 402 P C 1.780 179.021 177.300 -0.098 0.000 1.148 402 P CA 1.786 64.761 63.100 -0.207 0.000 0.822 402 P CB -0.167 31.393 31.700 -0.233 0.000 0.784 403 E N -0.738 119.391 120.200 -0.117 0.000 2.072 403 E HA -0.256 4.092 4.350 -0.003 0.000 0.191 403 E C 1.925 178.524 176.600 -0.002 0.000 0.985 403 E CA 1.669 58.033 56.400 -0.059 0.000 0.801 403 E CB -1.827 27.838 29.700 -0.059 0.000 0.750 403 E HN 0.410 nan 8.360 nan 0.000 0.452 404 H N 0.019 119.038 119.070 -0.084 0.000 2.363 404 H HA 0.143 4.697 4.556 -0.003 0.000 0.301 404 H C 2.182 177.473 175.328 -0.060 0.000 1.074 404 H CA 1.503 57.503 56.048 -0.081 0.000 1.354 404 H CB -0.157 29.554 29.762 -0.085 0.000 1.397 404 H HN 0.294 nan 8.280 nan 0.000 0.516 405 L N -0.196 121.035 121.223 0.014 0.000 2.081 405 L HA -0.269 4.069 4.340 -0.003 0.000 0.212 405 L C 2.609 179.454 176.870 -0.043 0.000 1.080 405 L CA 1.725 56.549 54.840 -0.027 0.000 0.754 405 L CB -0.703 41.340 42.059 -0.026 0.000 0.893 405 L HN 0.522 nan 8.230 nan 0.000 0.433 406 H N 1.252 120.261 119.070 -0.103 0.000 2.357 406 H HA -0.143 4.412 4.556 -0.003 0.000 0.301 406 H C 2.196 177.464 175.328 -0.099 0.000 1.082 406 H CA 2.055 58.054 56.048 -0.082 0.000 1.342 406 H CB 0.272 29.994 29.762 -0.066 0.000 1.389 406 H HN 0.233 nan 8.280 nan 0.000 0.511 407 K N 1.911 122.359 120.400 0.081 0.000 2.360 407 K HA -0.016 4.302 4.320 -0.003 0.000 0.201 407 K C 2.022 178.554 176.600 -0.112 0.000 1.046 407 K CA 1.517 57.788 56.287 -0.026 0.000 0.940 407 K CB -0.688 31.692 32.500 -0.200 0.000 0.748 407 K HN 0.648 nan 8.250 nan 0.000 0.465 408 I N -4.252 116.227 120.570 -0.152 0.000 4.147 408 I HA 0.405 4.573 4.170 -0.003 0.000 0.329 408 I C 0.959 177.088 176.117 0.020 0.000 1.424 408 I CA 1.172 62.425 61.300 -0.079 0.000 1.127 408 I CB 0.262 38.188 38.000 -0.124 0.000 1.128 408 I HN 0.332 nan 8.210 nan 0.000 0.417 409 G N 2.572 111.344 108.800 -0.047 0.000 2.211 409 G HA2 -0.219 3.739 3.960 -0.003 0.000 0.201 409 G HA3 -0.219 3.739 3.960 -0.003 0.000 0.201 409 G C 0.409 175.262 174.900 -0.078 0.000 0.997 409 G CA 0.275 45.354 45.100 -0.036 0.000 0.652 409 G HN 0.432 nan 8.290 nan 0.000 0.500 410 L N -0.852 120.304 121.223 -0.112 0.000 2.906 410 L HA 0.654 4.992 4.340 -0.003 0.000 0.255 410 L C 0.658 177.450 176.870 -0.129 0.000 1.166 410 L CA -0.186 54.563 54.840 -0.152 0.000 0.977 410 L CB 0.619 42.528 42.059 -0.250 0.000 1.313 410 L HN 0.097 nan 8.230 nan 0.000 0.549 411 L N 1.350 122.498 121.223 -0.124 0.000 2.337 411 L HA 0.409 4.747 4.340 -0.003 0.000 0.269 411 L C 1.051 177.855 176.870 -0.109 0.000 1.018 411 L CA 0.128 54.926 54.840 -0.070 0.000 0.876 411 L CB 1.343 43.400 42.059 -0.004 0.000 1.236 411 L HN 0.333 nan 8.230 nan 0.000 0.436 412 D N 2.474 122.819 120.400 -0.092 0.000 2.354 412 D HA -0.033 4.606 4.640 -0.003 0.000 0.216 412 D C 1.053 177.367 176.300 0.025 0.000 0.970 412 D CA 1.963 55.909 54.000 -0.091 0.000 0.905 412 D CB -0.069 40.704 40.800 -0.045 0.000 0.903 412 D HN 0.632 nan 8.370 nan 0.000 0.508 413 R N -1.960 118.609 120.500 0.114 0.000 3.236 413 R HA 0.951 5.289 4.340 -0.003 0.000 0.234 413 R C -0.335 176.088 176.300 0.205 0.000 1.541 413 R CA 0.297 56.492 56.100 0.158 0.000 1.038 413 R CB 0.615 30.958 30.300 0.072 0.000 1.587 413 R HN 1.409 nan 8.270 nan 0.000 0.515 414 V N -0.597 119.357 119.914 0.067 0.000 2.735 414 V HA 0.712 4.830 4.120 -0.003 0.000 0.276 414 V C -0.038 176.047 176.094 -0.016 0.000 1.083 414 V CA 0.222 62.514 62.300 -0.013 0.000 0.923 414 V CB 1.420 33.171 31.823 -0.120 0.000 1.053 414 V HN 1.549 nan 8.190 nan 0.000 0.471 415 T N 1.280 115.827 114.554 -0.010 0.000 3.149 415 T HA 0.657 5.005 4.350 -0.003 0.000 0.373 415 T C 0.362 175.049 174.700 -0.022 0.000 1.364 415 T CA 0.165 62.259 62.100 -0.012 0.000 1.110 415 T CB -0.327 68.543 68.868 0.003 0.000 1.127 415 T HN 1.802 nan 8.240 nan 0.000 0.576 416 N N 3.763 122.443 118.700 -0.033 0.000 2.549 416 N HA 0.497 5.235 4.740 -0.003 0.000 0.267 416 N C -0.089 175.403 175.510 -0.031 0.000 1.182 416 N CA -0.103 52.926 53.050 -0.036 0.000 1.019 416 N CB -0.102 38.359 38.487 -0.043 0.000 1.380 416 N HN 0.857 nan 8.380 nan 0.000 0.505 417 D N -2.202 118.181 120.400 -0.028 0.000 2.759 417 D HA 0.245 4.883 4.640 -0.003 0.000 0.321 417 D C 0.932 177.211 176.300 -0.035 0.000 1.267 417 D CA 0.382 54.359 54.000 -0.038 0.000 0.933 417 D CB 0.313 41.080 40.800 -0.055 0.000 1.431 417 D HN 0.265 nan 8.370 nan 0.000 0.504 418 T N -1.746 112.771 114.554 -0.062 0.000 2.698 418 T HA -0.099 4.249 4.350 -0.003 0.000 0.260 418 T C 1.547 176.176 174.700 -0.120 0.000 1.044 418 T CA 1.259 63.320 62.100 -0.066 0.000 1.149 418 T CB -0.568 68.256 68.868 -0.075 0.000 0.864 418 T HN 0.502 nan 8.240 nan 0.000 0.419 419 E N 1.291 121.324 120.200 -0.279 0.000 2.086 419 E HA -0.190 4.158 4.350 -0.003 0.000 0.205 419 E C 2.605 179.176 176.600 -0.049 0.000 1.027 419 E CA 1.829 57.950 56.400 -0.466 0.000 0.830 419 E CB -0.356 28.954 29.700 -0.651 0.000 0.751 419 E HN 0.505 nan 8.360 nan 0.000 0.456 420 S N 0.490 116.182 115.700 -0.013 0.000 2.382 420 S HA -0.178 4.290 4.470 -0.003 0.000 0.228 420 S C 1.626 176.296 174.600 0.117 0.000 1.027 420 S CA 1.284 59.530 58.200 0.077 0.000 0.991 420 S CB -0.260 62.967 63.200 0.045 0.000 0.823 420 S HN 0.276 nan 8.310 nan 0.000 0.469 421 D N 1.414 121.863 120.400 0.083 0.000 2.104 421 D HA -0.096 4.542 4.640 -0.003 0.000 0.194 421 D C 1.799 178.172 176.300 0.121 0.000 0.994 421 D CA 0.916 55.004 54.000 0.146 0.000 0.830 421 D CB -0.181 40.694 40.800 0.124 0.000 0.959 421 D HN 0.171 nan 8.370 nan 0.000 0.452 422 I N 0.874 121.463 120.570 0.032 0.000 2.142 422 I HA -0.245 3.923 4.170 -0.003 0.000 0.240 422 I C 2.088 178.178 176.117 -0.045 0.000 1.078 422 I CA 1.032 62.278 61.300 -0.089 0.000 1.343 422 I CB -1.184 36.701 38.000 -0.193 0.000 1.046 422 I HN 0.187 nan 8.210 nan 0.000 0.405 423 N N 0.514 119.275 118.700 0.102 0.000 2.021 423 N HA -0.283 4.455 4.740 -0.003 0.000 0.198 423 N C 1.959 177.595 175.510 0.211 0.000 1.041 423 N CA 1.778 54.946 53.050 0.196 0.000 0.862 423 N CB -0.823 37.841 38.487 0.295 0.000 1.048 423 N HN 0.356 nan 8.380 nan 0.000 0.427 424 Y N 2.014 122.362 120.300 0.080 0.000 2.053 424 Y HA -0.168 4.380 4.550 -0.003 0.000 0.277 424 Y C 2.460 178.389 175.900 0.048 0.000 1.159 424 Y CA 1.467 59.590 58.100 0.038 0.000 1.125 424 Y CB -0.840 37.650 38.460 0.049 0.000 0.969 424 Y HN 0.025 nan 8.280 nan 0.000 0.492 425 L N -0.558 120.558 121.223 -0.178 0.000 2.079 425 L HA -0.235 4.103 4.340 -0.003 0.000 0.210 425 L C 2.508 179.351 176.870 -0.045 0.000 1.081 425 L CA 1.495 56.201 54.840 -0.224 0.000 0.752 425 L CB -0.667 41.294 42.059 -0.163 0.000 0.896 425 L HN 0.404 nan 8.230 nan 0.000 0.433 426 L N -0.096 121.110 121.223 -0.029 0.000 2.056 426 L HA -0.209 4.129 4.340 -0.003 0.000 0.207 426 L C 2.566 179.485 176.870 0.082 0.000 1.078 426 L CA 1.727 56.589 54.840 0.036 0.000 0.749 426 L CB -0.490 41.592 42.059 0.038 0.000 0.901 426 L HN 0.074 nan 8.230 nan 0.000 0.433 427 K N -0.902 119.513 120.400 0.024 0.000 2.020 427 K HA -0.212 4.106 4.320 -0.003 0.000 0.212 427 K C 2.048 178.601 176.600 -0.079 0.000 1.050 427 K CA 2.027 58.239 56.287 -0.126 0.000 0.929 427 K CB -0.154 32.056 32.500 -0.482 0.000 0.714 427 K HN 0.288 nan 8.250 nan 0.000 0.443 428 M N 0.089 119.607 119.600 -0.136 0.000 2.267 428 M HA -0.131 4.347 4.480 -0.003 0.000 0.263 428 M C 2.262 178.686 176.300 0.207 0.000 1.063 428 M CA 1.311 56.604 55.300 -0.013 0.000 1.090 428 M CB -0.910 31.627 32.600 -0.105 0.000 1.392 428 M HN 0.236 nan 8.290 nan 0.000 0.422 429 A N 0.203 123.133 122.820 0.184 0.000 1.930 429 A HA -0.067 4.251 4.320 -0.003 0.000 0.217 429 A C 2.250 179.796 177.584 -0.063 0.000 1.175 429 A CA 0.956 52.978 52.037 -0.026 0.000 0.627 429 A CB -0.726 18.225 19.000 -0.080 0.000 0.815 429 A HN 0.461 nan 8.150 nan 0.000 0.443 430 L N -0.885 120.351 121.223 0.023 0.000 2.131 430 L HA -0.176 4.162 4.340 -0.003 0.000 0.210 430 L C 2.598 179.469 176.870 0.003 0.000 1.092 430 L CA 1.803 56.662 54.840 0.033 0.000 0.759 430 L CB -0.332 41.845 42.059 0.198 0.000 0.903 430 L HN 0.639 nan 8.230 nan 0.000 0.435 431 E N -0.067 120.164 120.200 0.051 0.000 2.057 431 E HA -0.132 4.216 4.350 -0.003 0.000 0.190 431 E C 2.033 178.748 176.600 0.191 0.000 0.969 431 E CA 0.543 56.999 56.400 0.093 0.000 0.812 431 E CB 0.366 30.092 29.700 0.045 0.000 0.777 431 E HN 0.211 nan 8.360 nan 0.000 0.455 432 K N 0.434 120.955 120.400 0.203 0.000 2.168 432 K HA 0.042 4.360 4.320 -0.003 0.000 0.201 432 K C 2.196 178.954 176.600 0.265 0.000 1.049 432 K CA 0.321 56.833 56.287 0.375 0.000 0.974 432 K CB -0.016 32.705 32.500 0.369 0.000 0.792 432 K HN 0.222 nan 8.250 nan 0.000 0.463 433 I N 1.711 122.259 120.570 -0.037 0.000 2.202 433 I HA -0.122 4.046 4.170 -0.003 0.000 0.242 433 I C 2.399 178.493 176.117 -0.038 0.000 1.091 433 I CA 1.111 62.331 61.300 -0.133 0.000 1.368 433 I CB -1.505 36.297 38.000 -0.331 0.000 1.058 433 I HN -0.016 nan 8.210 nan 0.000 0.410 434 A N 0.133 122.835 122.820 -0.196 0.000 2.076 434 A HA -0.249 4.069 4.320 -0.003 0.000 0.220 434 A C 2.244 179.711 177.584 -0.195 0.000 1.160 434 A CA 1.345 53.114 52.037 -0.445 0.000 0.653 434 A CB -0.961 17.194 19.000 -1.409 0.000 0.801 434 A HN 0.422 nan 8.150 nan 0.000 0.455 435 F N 0.207 120.064 119.950 -0.156 0.000 2.270 435 F HA 0.042 4.567 4.527 -0.003 0.000 0.295 435 F C 1.812 177.576 175.800 -0.059 0.000 1.087 435 F CA 0.859 58.799 58.000 -0.101 0.000 1.365 435 F CB -0.168 38.697 39.000 -0.224 0.000 1.056 435 F HN 0.121 nan 8.300 nan 0.000 0.506 436 L N 1.328 122.600 121.223 0.082 0.000 2.011 436 L HA -0.285 4.053 4.340 -0.003 0.000 0.225 436 L C -0.269 176.686 176.870 0.142 0.000 1.084 436 L CA 2.212 57.170 54.840 0.196 0.000 0.791 436 L CB -2.708 39.487 42.059 0.227 0.000 0.898 436 L HN 0.175 nan 8.230 nan 0.000 0.440 437 P HA -0.271 nan 4.420 nan 0.000 0.212 437 P C 1.700 178.836 177.300 -0.273 0.000 1.178 437 P CA 1.764 64.779 63.100 -0.141 0.000 0.915 437 P CB -0.306 31.169 31.700 -0.375 0.000 0.788 438 F N 1.526 121.196 119.950 -0.467 0.000 2.043 438 F HA -0.186 4.339 4.527 -0.004 0.000 0.297 438 F C 2.544 178.001 175.800 -0.572 0.000 1.118 438 F CA 2.475 60.145 58.000 -0.550 0.000 1.202 438 F CB -1.447 37.211 39.000 -0.569 0.000 0.965 438 F HN -0.050 nan 8.300 nan 0.000 0.482 439 G N -1.585 106.790 108.800 -0.707 0.000 2.503 439 G HA2 -0.388 3.571 3.960 -0.003 0.000 0.221 439 G HA3 -0.388 3.571 3.960 -0.003 0.000 0.221 439 G C 1.585 176.341 174.900 -0.240 0.000 1.131 439 G CA 1.232 46.142 45.100 -0.316 0.000 0.756 439 G HN 0.521 nan 8.290 nan 0.000 0.572 440 Y N 1.074 121.019 120.300 -0.591 0.000 2.109 440 Y HA -0.018 4.530 4.550 -0.003 0.000 0.285 440 Y C 2.615 177.943 175.900 -0.953 0.000 1.131 440 Y CA 1.603 59.093 58.100 -1.016 0.000 1.121 440 Y CB -0.601 37.029 38.460 -1.383 0.000 0.987 440 Y HN 0.151 nan 8.280 nan 0.000 0.495 441 L N -0.678 119.972 121.223 -0.954 0.000 2.021 441 L HA -0.259 4.079 4.340 -0.003 0.000 0.215 441 L C 2.089 178.490 176.870 -0.782 0.000 1.074 441 L CA 2.134 56.408 54.840 -0.944 0.000 0.760 441 L CB -0.933 40.653 42.059 -0.788 0.000 0.889 441 L HN 0.185 nan 8.230 nan 0.000 0.433 442 V N 0.673 120.073 119.914 -0.857 0.000 2.220 442 V HA -0.367 3.751 4.120 -0.003 0.000 0.250 442 V C 2.109 177.986 176.094 -0.362 0.000 1.056 442 V CA 2.493 64.409 62.300 -0.640 0.000 1.016 442 V CB -0.795 30.399 31.823 -1.049 0.000 0.639 442 V HN 0.542 nan 8.190 nan 0.000 0.446 443 D N -1.377 118.712 120.400 -0.518 0.000 2.371 443 D HA -0.078 4.560 4.640 -0.003 0.000 0.221 443 D C 2.286 177.876 176.300 -1.184 0.000 0.986 443 D CA 0.298 53.867 54.000 -0.719 0.000 0.899 443 D CB -0.055 40.286 40.800 -0.765 0.000 0.902 443 D HN 0.363 nan 8.370 nan 0.000 0.530 444 Q N -1.067 118.176 119.800 -0.927 0.000 2.046 444 Q HA -0.128 4.210 4.340 -0.003 0.000 0.200 444 Q C 1.961 177.789 176.000 -0.286 0.000 0.975 444 Q CA 0.865 56.242 55.803 -0.709 0.000 0.836 444 Q CB -0.599 27.717 28.738 -0.704 0.000 0.896 444 Q HN 0.486 nan 8.270 nan 0.000 0.428 445 W N 1.860 122.953 121.300 -0.345 0.000 2.354 445 W HA -0.150 4.507 4.660 -0.004 0.000 0.315 445 W C 2.292 178.741 176.519 -0.118 0.000 1.206 445 W CA 1.620 58.885 57.345 -0.133 0.000 1.290 445 W CB -0.214 29.241 29.460 -0.007 0.000 1.152 445 W HN 0.013 nan 8.180 nan 0.000 0.489 446 R N -0.665 119.725 120.500 -0.183 0.000 2.073 446 R HA -0.200 4.138 4.340 -0.003 0.000 0.234 446 R C 2.082 178.253 176.300 -0.214 0.000 1.134 446 R CA 1.966 57.826 56.100 -0.399 0.000 0.952 446 R CB -1.084 29.204 30.300 -0.019 0.000 0.850 446 R HN 0.237 nan 8.270 nan 0.000 0.433 447 W N -0.364 120.903 121.300 -0.055 0.000 2.364 447 W HA -0.040 4.618 4.660 -0.003 0.000 0.281 447 W C 2.041 178.519 176.519 -0.067 0.000 1.219 447 W CA 1.203 58.554 57.345 0.009 0.000 1.220 447 W CB -1.058 28.409 29.460 0.011 0.000 1.127 447 W HN 0.256 nan 8.180 nan 0.000 0.556 448 G N -0.603 108.216 108.800 0.032 0.000 2.494 448 G HA2 -0.026 3.933 3.960 -0.003 0.000 0.216 448 G HA3 -0.026 3.933 3.960 -0.003 0.000 0.216 448 G C 1.568 176.372 174.900 -0.160 0.000 1.140 448 G CA 0.782 45.854 45.100 -0.047 0.000 0.801 448 G HN 0.102 nan 8.290 nan 0.000 0.536 449 V N 0.237 119.908 119.914 -0.405 0.000 2.323 449 V HA -0.005 4.113 4.120 -0.003 0.000 0.244 449 V C 2.364 178.339 176.094 -0.197 0.000 1.041 449 V CA 1.172 63.208 62.300 -0.440 0.000 1.025 449 V CB -0.629 30.644 31.823 -0.917 0.000 0.656 449 V HN 0.402 nan 8.190 nan 0.000 0.451 450 F N 0.979 120.830 119.950 -0.164 0.000 2.269 450 F HA -0.169 4.356 4.527 -0.003 0.000 0.301 450 F C 2.544 178.283 175.800 -0.102 0.000 1.082 450 F CA 1.214 59.125 58.000 -0.150 0.000 1.360 450 F CB -0.115 38.757 39.000 -0.213 0.000 1.041 450 F HN 0.333 nan 8.300 nan 0.000 0.512 451 S N -0.926 114.841 115.700 0.112 0.000 2.517 451 S HA 0.307 4.775 4.470 -0.003 0.000 0.214 451 S C 1.568 176.191 174.600 0.039 0.000 0.991 451 S CA 0.483 58.720 58.200 0.061 0.000 0.906 451 S CB 0.563 63.797 63.200 0.056 0.000 0.789 451 S HN 0.486 nan 8.310 nan 0.000 0.513 452 G N 2.108 110.927 108.800 0.032 0.000 2.141 452 G HA2 -0.267 3.691 3.960 -0.003 0.000 0.231 452 G HA3 -0.267 3.691 3.960 -0.003 0.000 0.231 452 G C 0.799 175.720 174.900 0.035 0.000 0.984 452 G CA 0.272 45.391 45.100 0.033 0.000 0.660 452 G HN 0.563 nan 8.290 nan 0.000 0.525 453 R N 0.426 120.944 120.500 0.029 0.000 2.276 453 R HA 0.112 4.451 4.340 -0.003 0.000 0.196 453 R C -0.213 176.122 176.300 0.059 0.000 0.961 453 R CA 1.501 57.625 56.100 0.040 0.000 1.024 453 R CB 0.100 30.422 30.300 0.037 0.000 0.940 453 R HN 0.281 nan 8.270 nan 0.000 0.480 454 T N 4.423 119.005 114.554 0.045 0.000 3.141 454 T HA 0.337 4.685 4.350 -0.003 0.000 0.377 454 T C -2.694 172.123 174.700 0.194 0.000 1.258 454 T CA -1.243 60.922 62.100 0.108 0.000 1.263 454 T CB 2.013 70.871 68.868 -0.016 0.000 1.066 454 T HN 0.193 nan 8.240 nan 0.000 0.546 455 P HA 0.287 nan 4.420 nan 0.000 0.274 455 P C -2.327 174.999 177.300 0.043 0.000 1.256 455 P CA -1.559 61.614 63.100 0.120 0.000 0.795 455 P CB 0.812 32.534 31.700 0.038 0.000 1.038 456 P HA -0.137 nan 4.420 nan 0.000 0.223 456 P C 1.585 178.626 177.300 -0.432 0.000 1.144 456 P CA 1.554 63.956 63.100 -1.164 0.000 0.783 456 P CB -0.384 30.783 31.700 -0.887 0.000 0.771 457 S N -1.194 114.412 115.700 -0.157 0.000 2.515 457 S HA -0.014 4.455 4.470 -0.003 0.000 0.231 457 S C 1.411 176.050 174.600 0.066 0.000 0.987 457 S CA 0.471 58.643 58.200 -0.048 0.000 0.936 457 S CB -0.515 62.661 63.200 -0.041 0.000 0.766 457 S HN 0.163 nan 8.310 nan 0.000 0.528 458 R N -1.139 119.479 120.500 0.196 0.000 2.616 458 R HA 0.341 4.679 4.340 -0.003 0.000 0.427 458 R C 0.402 177.090 176.300 0.648 0.000 1.030 458 R CA -0.261 56.080 56.100 0.402 0.000 1.133 458 R CB -0.104 30.439 30.300 0.406 0.000 1.444 458 R HN 0.427 nan 8.270 nan 0.000 0.578 459 Y N 0.830 121.381 120.300 0.420 0.000 2.081 459 Y HA -0.307 4.241 4.550 -0.002 0.000 0.280 459 Y C 2.082 178.381 175.900 0.665 0.000 1.163 459 Y CA 1.184 59.653 58.100 0.614 0.000 1.135 459 Y CB 0.104 38.878 38.460 0.524 0.000 0.970 459 Y HN 0.156 nan 8.280 nan 0.000 0.498 460 N N -0.255 118.877 118.700 0.720 0.000 2.290 460 N HA -0.139 4.599 4.740 -0.003 0.000 0.179 460 N C 1.443 177.403 175.510 0.750 0.000 1.016 460 N CA 0.601 54.052 53.050 0.668 0.000 0.871 460 N CB -0.417 38.441 38.487 0.617 0.000 0.987 460 N HN 0.270 nan 8.380 nan 0.000 0.431 461 F N 0.725 120.978 119.950 0.504 0.000 2.234 461 F HA -0.047 4.478 4.527 -0.003 0.000 0.299 461 F C 1.305 177.391 175.800 0.477 0.000 1.087 461 F CA 1.180 59.447 58.000 0.446 0.000 1.340 461 F CB 0.048 39.238 39.000 0.317 0.000 1.031 461 F HN -0.037 nan 8.300 nan 0.000 0.500 462 D N -0.622 120.107 120.400 0.549 0.000 2.333 462 D HA -0.130 4.508 4.640 -0.003 0.000 0.208 462 D C 1.871 178.483 176.300 0.520 0.000 0.984 462 D CA 0.475 54.728 54.000 0.422 0.000 0.873 462 D CB -0.513 40.583 40.800 0.494 0.000 0.935 462 D HN 0.549 nan 8.370 nan 0.000 0.521 463 W N -0.257 121.187 121.300 0.240 0.000 2.441 463 W HA -0.150 4.509 4.660 -0.002 0.000 0.302 463 W C 0.982 177.355 176.519 -0.242 0.000 1.191 463 W CA 0.458 57.680 57.345 -0.205 0.000 1.327 463 W CB -0.499 28.629 29.460 -0.554 0.000 1.128 463 W HN -0.004 nan 8.180 nan 0.000 0.522 464 W N -0.228 121.182 121.300 0.184 0.000 2.800 464 W HA -0.126 4.532 4.660 -0.004 0.000 0.249 464 W C 2.208 178.720 176.519 -0.012 0.000 1.294 464 W CA 0.971 58.339 57.345 0.037 0.000 1.402 464 W CB -1.028 28.530 29.460 0.163 0.000 1.126 464 W HN -0.011 nan 8.180 nan 0.000 0.652 465 Y N 0.582 120.910 120.300 0.045 0.000 2.133 465 Y HA -0.195 4.353 4.550 -0.003 0.000 0.287 465 Y C 2.084 177.986 175.900 0.004 0.000 1.134 465 Y CA 1.829 59.909 58.100 -0.034 0.000 1.133 465 Y CB -0.744 37.621 38.460 -0.158 0.000 0.987 465 Y HN -0.174 nan 8.280 nan 0.000 0.502 466 L N -0.003 121.193 121.223 -0.045 0.000 2.046 466 L HA -0.225 4.113 4.340 -0.003 0.000 0.208 466 L C 2.707 179.480 176.870 -0.161 0.000 1.077 466 L CA 1.287 56.081 54.840 -0.078 0.000 0.747 466 L CB -0.593 41.436 42.059 -0.050 0.000 0.896 466 L HN 0.204 nan 8.230 nan 0.000 0.432 467 R N -0.432 119.833 120.500 -0.392 0.000 2.070 467 R HA -0.102 4.236 4.340 -0.003 0.000 0.233 467 R C 2.266 178.495 176.300 -0.118 0.000 1.137 467 R CA 1.881 57.746 56.100 -0.392 0.000 0.945 467 R CB -1.095 28.740 30.300 -0.774 0.000 0.845 467 R HN 0.327 nan 8.270 nan 0.000 0.430 468 T N 1.671 116.203 114.554 -0.036 0.000 2.622 468 T HA -0.184 4.164 4.350 -0.003 0.000 0.266 468 T C 1.838 176.619 174.700 0.134 0.000 1.047 468 T CA 1.761 63.868 62.100 0.012 0.000 1.159 468 T CB -0.180 68.751 68.868 0.104 0.000 0.863 468 T HN 0.311 nan 8.240 nan 0.000 0.422 469 K N -0.362 120.026 120.400 -0.021 0.000 2.059 469 K HA -0.208 4.110 4.320 -0.003 0.000 0.212 469 K C 1.965 178.564 176.600 -0.001 0.000 1.050 469 K CA 1.877 58.096 56.287 -0.113 0.000 0.927 469 K CB -0.231 31.895 32.500 -0.624 0.000 0.714 469 K HN 0.455 nan 8.250 nan 0.000 0.447 470 Y N -0.290 120.074 120.300 0.106 0.000 2.396 470 Y HA 0.078 4.626 4.550 -0.003 0.000 0.292 470 Y C 2.308 178.388 175.900 0.299 0.000 1.128 470 Y CA 0.573 58.772 58.100 0.166 0.000 1.194 470 Y CB 0.232 38.641 38.460 -0.085 0.000 1.124 470 Y HN 0.080 nan 8.280 nan 0.000 0.543 471 Q N -0.563 119.409 119.800 0.287 0.000 2.354 471 Q HA 0.153 4.491 4.340 -0.003 0.000 0.203 471 Q C 1.041 177.108 176.000 0.111 0.000 0.933 471 Q CA 0.583 56.570 55.803 0.307 0.000 0.901 471 Q CB 0.381 29.223 28.738 0.174 0.000 1.007 471 Q HN 0.565 nan 8.270 nan 0.000 0.495 472 G N 2.421 110.909 108.800 -0.521 0.000 2.298 472 G HA2 -0.245 3.713 3.960 -0.003 0.000 0.287 472 G HA3 -0.245 3.713 3.960 -0.003 0.000 0.287 472 G C -0.027 174.459 174.900 -0.690 0.000 1.075 472 G CA 0.633 44.584 45.100 -1.914 0.000 0.960 472 G HN 0.442 nan 8.290 nan 0.000 0.502 473 I N -2.864 117.513 120.570 -0.322 0.000 2.828 473 I HA 0.883 5.051 4.170 -0.003 0.000 0.302 473 I C 0.455 176.573 176.117 0.002 0.000 1.101 473 I CA -1.255 59.972 61.300 -0.122 0.000 1.031 473 I CB 2.128 40.113 38.000 -0.025 0.000 1.231 473 I HN 0.538 nan 8.210 nan 0.000 0.427 474 C N 1.882 121.163 119.300 -0.032 0.000 2.889 474 C HA 0.782 5.240 4.460 -0.003 0.000 0.307 474 C C -2.739 172.071 174.990 -0.300 0.000 1.251 474 C CA -2.059 56.894 59.018 -0.108 0.000 1.593 474 C CB 2.011 29.518 27.740 -0.388 0.000 2.104 474 C HN 0.714 nan 8.230 nan 0.000 0.476 475 P HA 0.234 nan 4.420 nan 0.000 0.271 475 P C -2.002 174.900 177.300 -0.663 0.000 1.220 475 P CA -0.645 61.882 63.100 -0.955 0.000 0.768 475 P CB 0.839 31.770 31.700 -1.281 0.000 0.848 476 P HA -0.071 nan 4.420 nan 0.000 0.223 476 P C 0.546 177.564 177.300 -0.471 0.000 1.151 476 P CA 1.079 63.789 63.100 -0.649 0.000 0.787 476 P CB 0.213 31.252 31.700 -1.101 0.000 0.788 477 V N -4.638 115.031 119.914 -0.410 0.000 3.074 477 V HA 0.559 4.677 4.120 -0.003 0.000 0.314 477 V C -0.035 175.897 176.094 -0.270 0.000 1.117 477 V CA -0.921 61.223 62.300 -0.260 0.000 1.014 477 V CB 1.000 32.746 31.823 -0.129 0.000 1.057 477 V HN -0.238 nan 8.190 nan 0.000 0.438 478 T N 3.343 117.762 114.554 -0.225 0.000 2.900 478 T HA 0.494 4.842 4.350 -0.003 0.000 0.307 478 T C -0.125 174.444 174.700 -0.217 0.000 1.065 478 T CA -0.265 61.688 62.100 -0.245 0.000 1.105 478 T CB 0.122 68.891 68.868 -0.166 0.000 0.979 478 T HN 0.792 nan 8.240 nan 0.000 0.544 479 R N 1.789 122.167 120.500 -0.203 0.000 2.808 479 R HA 0.606 4.945 4.340 -0.003 0.000 0.272 479 R C -0.763 175.633 176.300 0.161 0.000 0.995 479 R CA -1.017 54.991 56.100 -0.153 0.000 0.917 479 R CB 1.528 31.685 30.300 -0.239 0.000 1.217 479 R HN 0.866 nan 8.270 nan 0.000 0.471 480 N N -1.229 117.787 118.700 0.527 0.000 3.344 480 N HA 0.175 4.913 4.740 -0.003 0.000 0.296 480 N C -0.389 175.330 175.510 0.348 0.000 1.571 480 N CA -0.816 52.444 53.050 0.351 0.000 0.844 480 N CB 0.517 39.125 38.487 0.202 0.000 1.718 480 N HN 0.258 nan 8.380 nan 0.000 0.589 481 E N -0.445 119.878 120.200 0.204 0.000 2.321 481 E HA 0.017 4.365 4.350 -0.003 0.000 0.189 481 E C 0.305 176.941 176.600 0.060 0.000 1.125 481 E CA 0.248 56.751 56.400 0.172 0.000 1.005 481 E CB -0.678 29.096 29.700 0.122 0.000 1.140 481 E HN 0.707 nan 8.360 nan 0.000 0.457 482 T N -2.328 112.206 114.554 -0.033 0.000 3.069 482 T HA 0.051 4.399 4.350 -0.003 0.000 0.252 482 T C 0.329 174.915 174.700 -0.189 0.000 1.053 482 T CA -0.037 61.966 62.100 -0.162 0.000 0.964 482 T CB 0.080 68.785 68.868 -0.271 0.000 1.005 482 T HN 0.125 nan 8.240 nan 0.000 0.532 483 H N -0.451 118.714 119.070 0.159 0.000 2.595 483 H HA 0.584 5.139 4.556 -0.002 0.000 0.346 483 H C -1.342 174.175 175.328 0.314 0.000 1.181 483 H CA -1.000 55.163 56.048 0.192 0.000 1.242 483 H CB 1.275 31.157 29.762 0.201 0.000 1.652 483 H HN 0.128 nan 8.280 nan 0.000 0.548 484 F N 1.627 121.672 119.950 0.158 0.000 2.824 484 F HA 0.189 4.715 4.527 -0.002 0.000 0.368 484 F C -0.138 175.542 175.800 -0.199 0.000 1.398 484 F CA -0.947 57.049 58.000 -0.006 0.000 1.142 484 F CB 0.341 39.341 39.000 -0.001 0.000 1.997 484 F HN 0.559 nan 8.300 nan 0.000 0.598 485 D N 1.367 121.602 120.400 -0.275 0.000 2.263 485 D HA -0.111 4.527 4.640 -0.003 0.000 0.208 485 D C 2.119 177.757 176.300 -1.103 0.000 0.971 485 D CA 1.200 55.000 54.000 -0.333 0.000 0.867 485 D CB 0.236 41.227 40.800 0.318 0.000 0.929 485 D HN 0.516 nan 8.370 nan 0.000 0.492 486 A N 0.916 122.428 122.820 -2.180 0.000 2.015 486 A HA 0.028 4.346 4.320 -0.003 0.000 0.219 486 A C 2.347 178.820 177.584 -1.850 0.000 1.163 486 A CA 1.546 51.822 52.037 -2.934 0.000 0.646 486 A CB -0.713 16.162 19.000 -3.543 0.000 0.806 486 A HN 0.290 nan 8.150 nan 0.000 0.448 487 G N -1.011 106.582 108.800 -2.011 0.000 2.598 487 G HA2 0.191 4.149 3.960 -0.003 0.000 0.215 487 G HA3 0.191 4.149 3.960 -0.003 0.000 0.215 487 G C 1.222 175.809 174.900 -0.522 0.000 1.131 487 G CA 0.820 45.193 45.100 -1.212 0.000 0.785 487 G HN 0.731 nan 8.290 nan 0.000 0.539 488 A N -0.564 121.974 122.820 -0.470 0.000 2.251 488 A HA 0.395 4.713 4.320 -0.003 0.000 0.209 488 A C 1.093 178.962 177.584 0.476 0.000 1.187 488 A CA 0.249 52.227 52.037 -0.098 0.000 0.823 488 A CB -0.020 18.658 19.000 -0.535 0.000 0.846 488 A HN 0.178 nan 8.150 nan 0.000 0.486 489 K N -0.344 120.049 120.400 -0.013 0.000 2.263 489 K HA 0.384 4.702 4.320 -0.003 0.000 0.272 489 K C 0.230 176.592 176.600 -0.398 0.000 1.033 489 K CA -1.154 54.971 56.287 -0.269 0.000 0.884 489 K CB -0.016 32.243 32.500 -0.403 0.000 1.107 489 K HN 0.151 nan 8.250 nan 0.000 0.460 490 F N 4.293 123.834 119.950 -0.683 0.000 2.167 490 F HA -0.351 4.174 4.527 -0.002 0.000 0.301 490 F C 1.163 176.432 175.800 -0.885 0.000 1.066 490 F CA 2.032 59.295 58.000 -1.228 0.000 1.285 490 F CB 0.177 38.435 39.000 -1.237 0.000 1.032 490 F HN 0.762 nan 8.300 nan 0.000 0.495 491 H N -1.204 117.698 119.070 -0.279 0.000 2.512 491 H HA 0.022 4.577 4.556 -0.003 0.000 0.279 491 H C 2.421 177.652 175.328 -0.162 0.000 0.999 491 H CA 1.339 57.361 56.048 -0.043 0.000 1.283 491 H CB -0.104 29.822 29.762 0.273 0.000 1.421 491 H HN 0.289 nan 8.280 nan 0.000 0.554 492 V N 2.130 121.926 119.914 -0.196 0.000 2.323 492 V HA -0.121 3.997 4.120 -0.003 0.000 0.244 492 V C -0.416 175.588 176.094 -0.150 0.000 1.041 492 V CA 1.533 63.717 62.300 -0.194 0.000 1.025 492 V CB -1.104 30.416 31.823 -0.505 0.000 0.656 492 V HN 0.361 nan 8.190 nan 0.000 0.451 493 P HA -0.124 nan 4.420 nan 0.000 0.216 493 P C 0.745 177.851 177.300 -0.324 0.000 1.153 493 P CA 1.276 64.233 63.100 -0.240 0.000 0.844 493 P CB -0.208 31.305 31.700 -0.312 0.000 0.787 494 N N 0.362 118.732 118.700 -0.550 0.000 2.375 494 N HA 0.104 4.842 4.740 -0.003 0.000 0.220 494 N C -0.272 175.105 175.510 -0.221 0.000 1.170 494 N CA -0.143 52.614 53.050 -0.490 0.000 0.833 494 N CB 0.037 37.986 38.487 -0.897 0.000 1.069 494 N HN -0.173 nan 8.380 nan 0.000 0.479 495 V N 1.225 121.071 119.914 -0.114 0.000 5.771 495 V HA -0.238 3.880 4.120 -0.003 0.000 0.180 495 V C 0.206 176.432 176.094 0.219 0.000 0.710 495 V CA 1.104 63.487 62.300 0.137 0.000 0.522 495 V CB -1.974 29.866 31.823 0.028 0.000 0.231 495 V HN 0.313 nan 8.190 nan 0.000 0.424 496 T N 4.326 119.020 114.554 0.234 0.000 2.824 496 T HA 0.517 4.865 4.350 -0.003 0.000 0.282 496 T C -2.320 172.458 174.700 0.130 0.000 0.993 496 T CA -1.259 60.968 62.100 0.212 0.000 0.967 496 T CB 2.275 71.423 68.868 0.467 0.000 0.960 496 T HN 0.231 nan 8.240 nan 0.000 0.441 497 P HA 0.183 nan 4.420 nan 0.000 0.269 497 P C -0.550 176.786 177.300 0.060 0.000 1.209 497 P CA 0.004 62.880 63.100 -0.374 0.000 0.776 497 P CB 0.634 31.967 31.700 -0.612 0.000 0.876 498 Y N 1.959 122.268 120.300 0.015 0.000 2.535 498 Y HA 0.151 4.699 4.550 -0.003 0.000 0.264 498 Y C 1.808 177.733 175.900 0.041 0.000 1.087 498 Y CA 0.132 58.258 58.100 0.042 0.000 1.285 498 Y CB -0.130 38.303 38.460 -0.046 0.000 1.200 498 Y HN 0.152 nan 8.280 nan 0.000 0.514 499 I N 1.570 122.228 120.570 0.147 0.000 2.908 499 I HA -0.264 3.904 4.170 -0.003 0.000 0.271 499 I C 1.826 178.072 176.117 0.216 0.000 1.275 499 I CA 1.308 62.689 61.300 0.136 0.000 1.446 499 I CB -0.397 37.748 38.000 0.241 0.000 1.092 499 I HN 0.183 nan 8.210 nan 0.000 0.482 500 R N -1.422 119.140 120.500 0.104 0.000 2.119 500 R HA -0.075 4.263 4.340 -0.003 0.000 0.222 500 R C 1.900 178.176 176.300 -0.040 0.000 1.088 500 R CA 1.287 57.429 56.100 0.070 0.000 0.984 500 R CB -0.830 29.414 30.300 -0.092 0.000 0.884 500 R HN 0.362 nan 8.270 nan 0.000 0.447 501 Y N -0.126 120.202 120.300 0.047 0.000 2.439 501 Y HA -0.097 4.451 4.550 -0.003 0.000 0.292 501 Y C 1.945 177.987 175.900 0.236 0.000 1.130 501 Y CA 0.590 58.720 58.100 0.050 0.000 1.254 501 Y CB -0.070 38.252 38.460 -0.231 0.000 1.000 501 Y HN -0.002 nan 8.280 nan 0.000 0.554 502 F N -0.153 119.930 119.950 0.222 0.000 2.074 502 F HA -0.169 4.356 4.527 -0.003 0.000 0.293 502 F C 2.189 178.123 175.800 0.223 0.000 1.116 502 F CA 1.145 59.276 58.000 0.218 0.000 1.212 502 F CB -0.819 38.269 39.000 0.146 0.000 0.998 502 F HN -0.243 nan 8.300 nan 0.000 0.471 503 V N -0.205 119.891 119.914 0.302 0.000 2.278 503 V HA -0.381 3.737 4.120 -0.003 0.000 0.251 503 V C 2.685 178.799 176.094 0.033 0.000 1.062 503 V CA 2.196 64.584 62.300 0.146 0.000 1.038 503 V CB -1.421 30.524 31.823 0.203 0.000 0.646 503 V HN 0.548 nan 8.190 nan 0.000 0.447 504 S N -0.559 115.205 115.700 0.107 0.000 2.353 504 S HA -0.214 4.254 4.470 -0.003 0.000 0.222 504 S C 1.834 176.465 174.600 0.051 0.000 1.035 504 S CA 1.920 60.156 58.200 0.059 0.000 1.025 504 S CB -0.440 62.886 63.200 0.210 0.000 0.902 504 S HN 0.478 nan 8.310 nan 0.000 0.440 505 F N 1.143 121.048 119.950 -0.075 0.000 2.269 505 F HA 0.025 4.551 4.527 -0.003 0.000 0.301 505 F C 2.291 178.083 175.800 -0.013 0.000 1.082 505 F CA 0.502 58.472 58.000 -0.050 0.000 1.360 505 F CB -0.606 38.416 39.000 0.037 0.000 1.041 505 F HN 0.099 nan 8.300 nan 0.000 0.512 506 V N 0.150 120.071 119.914 0.011 0.000 2.446 506 V HA -0.136 3.982 4.120 -0.003 0.000 0.244 506 V C 1.967 178.049 176.094 -0.019 0.000 1.039 506 V CA 1.374 63.653 62.300 -0.034 0.000 1.045 506 V CB -0.340 31.377 31.823 -0.178 0.000 0.681 506 V HN 0.373 nan 8.190 nan 0.000 0.459 507 L N 0.340 121.466 121.223 -0.162 0.000 2.629 507 L HA 0.135 4.473 4.340 -0.003 0.000 0.230 507 L C 1.980 178.475 176.870 -0.625 0.000 1.151 507 L CA 0.713 55.356 54.840 -0.329 0.000 0.924 507 L CB -0.441 41.351 42.059 -0.444 0.000 1.137 507 L HN 0.470 nan 8.230 nan 0.000 0.457 508 Q N -0.490 119.026 119.800 -0.473 0.000 2.269 508 Q HA -0.054 4.284 4.340 -0.003 0.000 0.201 508 Q C 1.227 176.934 176.000 -0.489 0.000 0.946 508 Q CA 0.998 56.418 55.803 -0.639 0.000 0.877 508 Q CB -0.447 27.869 28.738 -0.703 0.000 0.963 508 Q HN 0.547 nan 8.270 nan 0.000 0.472 509 F N 1.712 121.520 119.950 -0.237 0.000 2.416 509 F HA 0.076 4.601 4.527 -0.003 0.000 0.296 509 F C 2.422 178.239 175.800 0.028 0.000 1.099 509 F CA 0.704 58.652 58.000 -0.087 0.000 1.427 509 F CB 0.012 38.946 39.000 -0.110 0.000 1.079 509 F HN 0.041 nan 8.300 nan 0.000 0.536 510 Q N -0.441 119.453 119.800 0.156 0.000 2.124 510 Q HA -0.177 4.161 4.340 -0.003 0.000 0.202 510 Q C 2.073 178.244 176.000 0.286 0.000 0.977 510 Q CA 1.400 57.315 55.803 0.186 0.000 0.850 510 Q CB -0.362 28.467 28.738 0.152 0.000 0.901 510 Q HN 0.338 nan 8.270 nan 0.000 0.429 511 F N 0.001 119.934 119.950 -0.029 0.000 2.113 511 F HA -0.157 4.369 4.527 -0.003 0.000 0.297 511 F C 2.364 178.156 175.800 -0.012 0.000 1.103 511 F CA 1.390 59.355 58.000 -0.059 0.000 1.248 511 F CB -1.207 37.710 39.000 -0.139 0.000 0.999 511 F HN 0.220 nan 8.300 nan 0.000 0.475 512 H N 0.076 119.191 119.070 0.075 0.000 2.387 512 H HA -0.146 4.409 4.556 -0.003 0.000 0.299 512 H C 2.192 177.548 175.328 0.048 0.000 1.099 512 H CA 2.160 58.204 56.048 -0.007 0.000 1.315 512 H CB -0.195 29.512 29.762 -0.093 0.000 1.380 512 H HN 0.413 nan 8.280 nan 0.000 0.513 513 E N -0.408 119.830 120.200 0.063 0.000 2.008 513 E HA -0.118 4.230 4.350 -0.003 0.000 0.191 513 E C 2.398 178.995 176.600 -0.004 0.000 0.986 513 E CA 0.824 57.224 56.400 0.000 0.000 0.807 513 E CB -0.263 29.490 29.700 0.089 0.000 0.766 513 E HN 0.497 nan 8.360 nan 0.000 0.450 514 A N 1.259 124.107 122.820 0.047 0.000 1.927 514 A HA -0.223 4.095 4.320 -0.003 0.000 0.220 514 A C 2.226 179.800 177.584 -0.016 0.000 1.185 514 A CA 1.593 53.644 52.037 0.023 0.000 0.639 514 A CB -0.804 18.215 19.000 0.032 0.000 0.820 514 A HN 0.342 nan 8.150 nan 0.000 0.451 515 L N -1.275 119.933 121.223 -0.026 0.000 2.072 515 L HA -0.181 4.158 4.340 -0.003 0.000 0.205 515 L C 2.669 179.511 176.870 -0.048 0.000 1.079 515 L CA 1.087 55.901 54.840 -0.043 0.000 0.752 515 L CB -0.665 41.376 42.059 -0.029 0.000 0.906 515 L HN 0.480 nan 8.230 nan 0.000 0.436 516 c N -0.137 118.405 118.600 -0.096 0.000 2.422 516 c HA -0.170 4.398 4.570 -0.003 0.000 0.279 516 c C 2.862 176.958 174.090 0.009 0.000 1.305 516 c CA 0.790 57.062 56.329 -0.095 0.000 1.757 516 c CB -0.710 41.649 42.510 -0.251 0.000 1.962 516 c HN 0.434 nan 8.230 nan 0.000 0.499 517 K N 0.864 121.263 120.400 -0.000 0.000 2.025 517 K HA -0.130 4.188 4.320 -0.003 0.000 0.207 517 K C 2.054 178.661 176.600 0.012 0.000 1.049 517 K CA 1.207 57.505 56.287 0.019 0.000 0.933 517 K CB -0.159 32.349 32.500 0.014 0.000 0.714 517 K HN 0.427 nan 8.250 nan 0.000 0.438 518 E N -0.014 120.184 120.200 -0.004 0.000 2.274 518 E HA -0.121 4.227 4.350 -0.003 0.000 0.194 518 E C 1.777 178.372 176.600 -0.008 0.000 0.996 518 E CA 0.761 57.155 56.400 -0.010 0.000 0.840 518 E CB 0.086 29.772 29.700 -0.024 0.000 0.772 518 E HN 0.406 nan 8.360 nan 0.000 0.491 519 A N 0.368 123.188 122.820 0.001 0.000 2.019 519 A HA -0.009 4.309 4.320 -0.003 0.000 0.219 519 A C 1.809 179.409 177.584 0.027 0.000 1.164 519 A CA 1.588 53.630 52.037 0.010 0.000 0.644 519 A CB -0.354 18.661 19.000 0.025 0.000 0.805 519 A HN 0.340 nan 8.150 nan 0.000 0.449 520 G N -3.108 105.716 108.800 0.040 0.000 2.131 520 G HA2 -0.256 3.703 3.960 -0.003 0.000 0.201 520 G HA3 -0.256 3.703 3.960 -0.003 0.000 0.201 520 G C -0.044 174.881 174.900 0.042 0.000 1.000 520 G CA 0.106 45.221 45.100 0.025 0.000 0.680 520 G HN 0.844 nan 8.290 nan 0.000 0.514 521 Y N 0.978 121.254 120.300 -0.041 0.000 2.309 521 Y HA 0.612 5.160 4.550 -0.003 0.000 0.327 521 Y C 0.343 176.215 175.900 -0.047 0.000 1.172 521 Y CA -0.019 58.054 58.100 -0.044 0.000 1.280 521 Y CB 0.992 39.420 38.460 -0.053 0.000 1.234 521 Y HN 0.267 nan 8.280 nan 0.000 0.512 522 E N 2.698 122.496 120.200 -0.671 0.000 2.331 522 E HA 0.646 4.994 4.350 -0.003 0.000 0.275 522 E C -0.618 175.516 176.600 -0.776 0.000 0.895 522 E CA -0.059 56.072 56.400 -0.448 0.000 0.753 522 E CB 2.036 31.603 29.700 -0.222 0.000 1.216 522 E HN 0.991 nan 8.360 nan 0.000 0.434 523 G N 2.241 110.833 108.800 -0.348 0.000 2.278 523 G HA2 0.029 3.987 3.960 -0.003 0.000 0.265 523 G HA3 0.029 3.987 3.960 -0.003 0.000 0.265 523 G C -2.846 172.108 174.900 0.091 0.000 1.329 523 G CA -1.010 43.978 45.100 -0.187 0.000 1.017 523 G HN 0.424 nan 8.290 nan 0.000 0.472 524 P HA 0.479 nan 4.420 nan 0.000 0.285 524 P C 0.985 178.311 177.300 0.044 0.000 1.259 524 P CA -0.712 62.424 63.100 0.061 0.000 0.794 524 P CB 1.420 33.063 31.700 -0.094 0.000 0.940 525 L N 3.056 124.306 121.223 0.045 0.000 2.129 525 L HA -0.197 4.141 4.340 -0.003 0.000 0.212 525 L C 1.879 178.726 176.870 -0.038 0.000 1.087 525 L CA 1.935 56.777 54.840 0.004 0.000 0.757 525 L CB -1.208 40.906 42.059 0.092 0.000 0.896 525 L HN 0.555 nan 8.230 nan 0.000 0.434 526 H N -1.845 117.042 119.070 -0.306 0.000 2.533 526 H HA 0.126 4.680 4.556 -0.003 0.000 0.271 526 H C 0.957 176.223 175.328 -0.103 0.000 1.000 526 H CA 0.354 56.085 56.048 -0.528 0.000 1.149 526 H CB -0.006 29.098 29.762 -1.096 0.000 1.375 526 H HN 0.566 nan 8.280 nan 0.000 0.582 527 Q N 0.425 119.970 119.800 -0.425 0.000 2.164 527 Q HA 0.153 4.491 4.340 -0.003 0.000 0.226 527 Q C 0.229 176.036 176.000 -0.321 0.000 0.813 527 Q CA -0.261 55.343 55.803 -0.331 0.000 0.978 527 Q CB 1.072 29.616 28.738 -0.323 0.000 1.149 527 Q HN 0.382 nan 8.270 nan 0.000 0.489 528 c N 1.606 119.865 118.600 -0.569 0.000 2.676 528 c HA 0.249 4.817 4.570 -0.003 0.000 0.416 528 c C -0.041 173.785 174.090 -0.439 0.000 1.299 528 c CA 0.284 55.896 56.329 -1.195 0.000 2.048 528 c CB 0.300 42.113 42.510 -1.161 0.000 2.713 528 c HN 0.404 nan 8.230 nan 0.000 0.624 529 D N 3.435 123.619 120.400 -0.359 0.000 2.323 529 D HA 0.232 4.870 4.640 -0.003 0.000 0.242 529 D C 0.620 176.953 176.300 0.054 0.000 1.347 529 D CA -0.496 53.484 54.000 -0.033 0.000 0.988 529 D CB 0.435 41.279 40.800 0.073 0.000 1.314 529 D HN 0.597 nan 8.370 nan 0.000 0.564 530 I N 0.781 121.405 120.570 0.091 0.000 3.555 530 I HA 0.165 4.333 4.170 -0.003 0.000 0.304 530 I C 0.242 176.377 176.117 0.029 0.000 1.246 530 I CA -0.382 60.961 61.300 0.072 0.000 1.220 530 I CB -0.716 37.325 38.000 0.068 0.000 1.001 530 I HN 0.250 nan 8.210 nan 0.000 0.513 531 Y N 3.379 123.621 120.300 -0.097 0.000 2.805 531 Y HA -0.045 4.503 4.550 -0.003 0.000 0.337 531 Y C 1.414 177.166 175.900 -0.247 0.000 1.252 531 Y CA 0.065 57.957 58.100 -0.346 0.000 1.515 531 Y CB 0.288 38.742 38.460 -0.010 0.000 1.305 531 Y HN 0.334 nan 8.280 nan 0.000 0.600 532 R N 1.280 121.230 120.500 -0.916 0.000 3.932 532 R HA -0.234 4.104 4.340 -0.003 0.000 0.318 532 R C 0.011 176.112 176.300 -0.331 0.000 1.219 532 R CA 1.028 56.724 56.100 -0.672 0.000 0.889 532 R CB -1.864 28.024 30.300 -0.687 0.000 1.309 532 R HN 0.481 nan 8.270 nan 0.000 0.537 533 S N 0.640 116.189 115.700 -0.252 0.000 2.642 533 S HA 0.138 4.606 4.470 -0.003 0.000 0.309 533 S C 1.573 176.093 174.600 -0.133 0.000 1.125 533 S CA 0.180 58.294 58.200 -0.144 0.000 1.055 533 S CB 0.909 64.058 63.200 -0.084 0.000 1.157 533 S HN 0.333 nan 8.310 nan 0.000 0.513 534 T N 2.001 116.480 114.554 -0.124 0.000 2.929 534 T HA -0.085 4.264 4.350 -0.003 0.000 0.271 534 T C 1.980 176.634 174.700 -0.077 0.000 1.085 534 T CA 1.473 63.512 62.100 -0.101 0.000 1.125 534 T CB -0.561 68.255 68.868 -0.086 0.000 0.874 534 T HN 0.634 nan 8.240 nan 0.000 0.494 535 K N 1.245 121.605 120.400 -0.068 0.000 2.103 535 K HA 0.526 4.844 4.320 -0.003 0.000 0.204 535 K C 2.686 179.253 176.600 -0.055 0.000 1.052 535 K CA 1.264 57.520 56.287 -0.053 0.000 0.945 535 K CB -1.301 31.174 32.500 -0.042 0.000 0.722 535 K HN 0.676 nan 8.250 nan 0.000 0.443 536 A N 1.090 123.875 122.820 -0.060 0.000 1.855 536 A HA 0.185 4.503 4.320 -0.003 0.000 0.215 536 A C 2.834 180.373 177.584 -0.076 0.000 1.191 536 A CA 1.843 53.844 52.037 -0.060 0.000 0.613 536 A CB -1.234 17.736 19.000 -0.049 0.000 0.829 536 A HN 0.643 nan 8.150 nan 0.000 0.442 537 G N -0.400 108.350 108.800 -0.083 0.000 2.475 537 G HA2 -0.068 3.890 3.960 -0.003 0.000 0.220 537 G HA3 -0.068 3.890 3.960 -0.003 0.000 0.220 537 G C 1.652 176.500 174.900 -0.086 0.000 1.125 537 G CA 1.577 46.623 45.100 -0.089 0.000 0.755 537 G HN 0.871 nan 8.290 nan 0.000 0.565 538 A N 0.104 122.880 122.820 -0.074 0.000 2.015 538 A HA 0.073 4.391 4.320 -0.003 0.000 0.219 538 A C 2.201 179.742 177.584 -0.072 0.000 1.163 538 A CA 1.901 53.899 52.037 -0.065 0.000 0.646 538 A CB -0.293 18.676 19.000 -0.052 0.000 0.806 538 A HN 0.381 nan 8.150 nan 0.000 0.448 539 K N -0.499 119.851 120.400 -0.082 0.000 2.103 539 K HA 0.045 4.363 4.320 -0.003 0.000 0.204 539 K C 1.883 178.400 176.600 -0.138 0.000 1.052 539 K CA 0.818 57.048 56.287 -0.094 0.000 0.945 539 K CB -0.181 32.264 32.500 -0.091 0.000 0.722 539 K HN 0.512 nan 8.250 nan 0.000 0.443 540 L N 1.132 122.259 121.223 -0.159 0.000 2.044 540 L HA -0.139 4.199 4.340 -0.003 0.000 0.205 540 L C 2.652 179.400 176.870 -0.203 0.000 1.075 540 L CA 1.271 55.977 54.840 -0.223 0.000 0.747 540 L CB -0.361 41.575 42.059 -0.205 0.000 0.903 540 L HN 0.199 nan 8.230 nan 0.000 0.435 541 R N 0.759 121.170 120.500 -0.148 0.000 2.193 541 R HA -0.188 4.150 4.340 -0.003 0.000 0.229 541 R C 2.178 178.418 176.300 -0.099 0.000 1.110 541 R CA 1.669 57.691 56.100 -0.129 0.000 0.988 541 R CB -0.282 29.967 30.300 -0.085 0.000 0.871 541 R HN 0.254 nan 8.270 nan 0.000 0.458 542 K N 1.187 121.536 120.400 -0.084 0.000 2.097 542 K HA -0.029 4.289 4.320 -0.003 0.000 0.205 542 K C 2.185 178.762 176.600 -0.038 0.000 1.050 542 K CA 1.514 57.773 56.287 -0.047 0.000 0.938 542 K CB -1.151 31.325 32.500 -0.040 0.000 0.718 542 K HN 0.313 nan 8.250 nan 0.000 0.442 543 V N -0.620 119.245 119.914 -0.082 0.000 2.379 543 V HA -0.081 4.037 4.120 -0.003 0.000 0.245 543 V C 2.267 178.333 176.094 -0.048 0.000 1.044 543 V CA 1.539 63.813 62.300 -0.044 0.000 1.036 543 V CB -0.437 31.328 31.823 -0.097 0.000 0.664 543 V HN 0.475 nan 8.190 nan 0.000 0.453 544 L N 0.014 121.114 121.223 -0.205 0.000 1.970 544 L HA -0.183 4.155 4.340 -0.003 0.000 0.212 544 L C 2.989 179.909 176.870 0.083 0.000 1.071 544 L CA 2.270 56.926 54.840 -0.306 0.000 0.751 544 L CB -0.972 40.841 42.059 -0.410 0.000 0.889 544 L HN 0.341 nan 8.230 nan 0.000 0.432 545 Q N -0.272 119.554 119.800 0.042 0.000 2.576 545 Q HA -0.145 4.193 4.340 -0.003 0.000 0.218 545 Q C 1.821 177.916 176.000 0.157 0.000 0.983 545 Q CA 0.920 56.791 55.803 0.114 0.000 0.920 545 Q CB -0.110 28.662 28.738 0.057 0.000 0.973 545 Q HN 0.548 nan 8.270 nan 0.000 0.528 546 A N 0.076 123.002 122.820 0.176 0.000 2.115 546 A HA 0.333 4.651 4.320 -0.003 0.000 0.211 546 A C 1.399 179.095 177.584 0.186 0.000 1.169 546 A CA 0.804 52.931 52.037 0.149 0.000 0.787 546 A CB -0.121 18.941 19.000 0.103 0.000 0.858 546 A HN 0.424 nan 8.150 nan 0.000 0.474 547 G N -0.245 108.752 108.800 0.328 0.000 2.651 547 G HA2 -0.368 3.590 3.960 -0.003 0.000 0.315 547 G HA3 -0.368 3.590 3.960 -0.003 0.000 0.315 547 G C 1.071 176.029 174.900 0.096 0.000 1.258 547 G CA 1.024 46.306 45.100 0.304 0.000 1.002 547 G HN 1.223 nan 8.290 nan 0.000 0.551 548 S N 0.287 115.998 115.700 0.020 0.000 2.568 548 S HA 0.329 4.797 4.470 -0.003 0.000 0.232 548 S C 2.252 176.864 174.600 0.020 0.000 0.975 548 S CA 1.121 59.317 58.200 -0.006 0.000 0.949 548 S CB -0.476 62.699 63.200 -0.041 0.000 0.829 548 S HN 1.690 nan 8.310 nan 0.000 0.479 549 S N 1.285 117.007 115.700 0.036 0.000 2.356 549 S HA 0.085 4.553 4.470 -0.003 0.000 0.223 549 S C 0.969 175.595 174.600 0.043 0.000 1.032 549 S CA 0.365 58.592 58.200 0.044 0.000 1.005 549 S CB -0.158 63.072 63.200 0.051 0.000 0.867 549 S HN 0.538 nan 8.310 nan 0.000 0.449 550 R N 1.431 121.953 120.500 0.038 0.000 2.668 550 R HA 0.579 4.917 4.340 -0.003 0.000 0.279 550 R C -2.993 173.318 176.300 0.017 0.000 0.976 550 R CA -2.536 53.581 56.100 0.028 0.000 0.978 550 R CB 1.134 31.453 30.300 0.031 0.000 1.133 550 R HN 0.186 nan 8.270 nan 0.000 0.484 551 P HA -0.059 nan 4.420 nan 0.000 0.271 551 P C 0.368 177.648 177.300 -0.034 0.000 1.216 551 P CA -0.138 62.938 63.100 -0.041 0.000 0.771 551 P CB 0.311 31.949 31.700 -0.104 0.000 0.864 552 W N 5.020 126.270 121.300 -0.083 0.000 2.338 552 W HA -0.222 4.437 4.660 -0.003 0.000 0.304 552 W C 0.772 177.365 176.519 0.123 0.000 1.212 552 W CA 1.186 58.438 57.345 -0.156 0.000 1.264 552 W CB -1.553 27.755 29.460 -0.255 0.000 1.142 552 W HN 0.401 nan 8.180 nan 0.000 0.512 553 Q N 0.793 120.224 119.800 -0.615 0.000 2.368 553 Q HA -0.154 4.184 4.340 -0.003 0.000 0.210 553 Q C 1.660 177.575 176.000 -0.141 0.000 0.982 553 Q CA 1.723 57.149 55.803 -0.627 0.000 0.884 553 Q CB -0.340 27.809 28.738 -0.981 0.000 0.933 553 Q HN 0.583 nan 8.270 nan 0.000 0.460 554 E N 0.274 120.438 120.200 -0.060 0.000 2.132 554 E HA -0.039 4.309 4.350 -0.003 0.000 0.193 554 E C 2.045 178.698 176.600 0.087 0.000 0.951 554 E CA 0.417 56.822 56.400 0.008 0.000 0.843 554 E CB 0.445 30.137 29.700 -0.012 0.000 0.807 554 E HN 0.074 nan 8.360 nan 0.000 0.467 555 V N 1.930 121.915 119.914 0.119 0.000 2.568 555 V HA -0.230 3.888 4.120 -0.003 0.000 0.253 555 V C 2.234 178.495 176.094 0.279 0.000 1.072 555 V CA 1.107 63.505 62.300 0.163 0.000 1.084 555 V CB -0.421 31.483 31.823 0.134 0.000 0.676 555 V HN 0.214 nan 8.190 nan 0.000 0.469 556 L N 0.333 121.804 121.223 0.413 0.000 2.049 556 L HA -0.039 4.299 4.340 -0.003 0.000 0.203 556 L C 2.412 179.435 176.870 0.256 0.000 1.074 556 L CA 2.079 57.203 54.840 0.473 0.000 0.749 556 L CB -0.815 41.656 42.059 0.686 0.000 0.907 556 L HN 0.212 nan 8.230 nan 0.000 0.439 557 K N -0.395 120.118 120.400 0.189 0.000 2.020 557 K HA -0.260 4.059 4.320 -0.003 0.000 0.212 557 K C 1.756 178.409 176.600 0.089 0.000 1.050 557 K CA 2.290 58.649 56.287 0.119 0.000 0.929 557 K CB -0.260 32.285 32.500 0.077 0.000 0.714 557 K HN 0.357 nan 8.250 nan 0.000 0.443 558 D N -0.007 120.439 120.400 0.077 0.000 2.133 558 D HA -0.223 4.415 4.640 -0.003 0.000 0.195 558 D C 1.768 178.088 176.300 0.033 0.000 0.997 558 D CA 1.585 55.613 54.000 0.047 0.000 0.840 558 D CB 0.009 40.833 40.800 0.040 0.000 0.947 558 D HN 0.293 nan 8.370 nan 0.000 0.452 559 M N -0.364 119.258 119.600 0.038 0.000 2.248 559 M HA -0.052 4.426 4.480 -0.003 0.000 0.265 559 M C 1.189 177.492 176.300 0.004 0.000 1.079 559 M CA 1.186 56.475 55.300 -0.018 0.000 1.150 559 M CB 0.406 32.943 32.600 -0.105 0.000 1.366 559 M HN -0.077 nan 8.290 nan 0.000 0.433 560 V N -0.618 119.337 119.914 0.068 0.000 3.523 560 V HA 0.293 4.412 4.120 -0.003 0.000 0.255 560 V C 1.391 177.540 176.094 0.091 0.000 1.226 560 V CA 0.956 63.313 62.300 0.095 0.000 1.092 560 V CB 0.493 32.416 31.823 0.167 0.000 0.817 560 V HN 0.745 nan 8.190 nan 0.000 0.458 561 G N 0.496 109.351 108.800 0.091 0.000 2.176 561 G HA2 -0.201 3.758 3.960 -0.003 0.000 0.232 561 G HA3 -0.201 3.758 3.960 -0.003 0.000 0.232 561 G C -0.123 174.833 174.900 0.092 0.000 0.986 561 G CA 0.198 45.345 45.100 0.078 0.000 0.643 561 G HN 0.370 nan 8.290 nan 0.000 0.522 562 L N -0.020 121.277 121.223 0.125 0.000 2.362 562 L HA 0.521 4.859 4.340 -0.003 0.000 0.271 562 L C 0.855 177.819 176.870 0.156 0.000 1.002 562 L CA -0.762 54.160 54.840 0.137 0.000 0.818 562 L CB 1.781 43.934 42.059 0.158 0.000 1.298 562 L HN 0.062 nan 8.230 nan 0.000 0.420 563 D N 1.436 121.909 120.400 0.122 0.000 2.348 563 D HA 0.170 4.808 4.640 -0.003 0.000 0.216 563 D C 0.212 176.592 176.300 0.132 0.000 0.970 563 D CA 0.910 54.960 54.000 0.084 0.000 0.889 563 D CB 0.478 41.306 40.800 0.046 0.000 0.912 563 D HN 0.566 nan 8.370 nan 0.000 0.524 564 A N -1.178 121.797 122.820 0.258 0.000 2.524 564 A HA 0.503 4.821 4.320 -0.003 0.000 0.303 564 A C -1.361 176.475 177.584 0.420 0.000 1.195 564 A CA -0.752 51.548 52.037 0.439 0.000 0.651 564 A CB 0.263 19.482 19.000 0.364 0.000 1.323 564 A HN 0.026 nan 8.150 nan 0.000 0.479 565 L N 0.921 122.401 121.223 0.427 0.000 2.456 565 L HA 0.376 4.714 4.340 -0.003 0.000 0.272 565 L C -0.550 176.446 176.870 0.211 0.000 1.189 565 L CA 0.474 55.473 54.840 0.266 0.000 0.846 565 L CB 0.540 42.739 42.059 0.233 0.000 1.111 565 L HN 0.759 nan 8.230 nan 0.000 0.475 566 D N 1.086 121.577 120.400 0.151 0.000 2.990 566 D HA 0.449 5.087 4.640 -0.003 0.000 0.227 566 D C -0.002 176.348 176.300 0.084 0.000 1.249 566 D CA -0.348 53.729 54.000 0.128 0.000 0.891 566 D CB 1.949 42.828 40.800 0.131 0.000 1.647 566 D HN 0.442 nan 8.370 nan 0.000 0.530 567 A N 2.933 125.790 122.820 0.062 0.000 2.238 567 A HA 0.017 4.335 4.320 -0.003 0.000 0.210 567 A C 1.724 179.318 177.584 0.017 0.000 1.179 567 A CA 0.468 52.514 52.037 0.015 0.000 0.827 567 A CB -0.179 18.813 19.000 -0.014 0.000 0.856 567 A HN 0.678 nan 8.150 nan 0.000 0.488 568 Q N 0.241 120.068 119.800 0.045 0.000 2.062 568 Q HA -0.168 4.170 4.340 -0.003 0.000 0.209 568 Q C -0.623 175.408 176.000 0.051 0.000 0.996 568 Q CA 2.170 58.001 55.803 0.047 0.000 0.859 568 Q CB -0.930 27.845 28.738 0.063 0.000 0.920 568 Q HN 0.558 nan 8.270 nan 0.000 0.415 569 P HA -0.144 nan 4.420 nan 0.000 0.228 569 P C 1.191 178.537 177.300 0.076 0.000 1.151 569 P CA 0.915 64.075 63.100 0.100 0.000 0.770 569 P CB 0.070 31.852 31.700 0.137 0.000 0.786 570 L N -0.604 120.606 121.223 -0.022 0.000 2.127 570 L HA 0.045 4.383 4.340 -0.003 0.000 0.203 570 L C 2.353 179.186 176.870 -0.062 0.000 1.080 570 L CA 1.379 56.072 54.840 -0.246 0.000 0.768 570 L CB -1.506 40.391 42.059 -0.270 0.000 0.924 570 L HN -0.202 nan 8.230 nan 0.000 0.444 571 L N 0.112 121.336 121.223 0.002 0.000 2.083 571 L HA -0.190 4.148 4.340 -0.003 0.000 0.209 571 L C 2.629 179.541 176.870 0.069 0.000 1.083 571 L CA 1.709 56.576 54.840 0.044 0.000 0.752 571 L CB -0.788 41.281 42.059 0.017 0.000 0.899 571 L HN 0.368 nan 8.230 nan 0.000 0.433 572 K N -0.172 120.265 120.400 0.061 0.000 2.148 572 K HA -0.243 4.075 4.320 -0.003 0.000 0.204 572 K C 2.237 178.873 176.600 0.059 0.000 1.050 572 K CA 1.327 57.652 56.287 0.063 0.000 0.942 572 K CB -0.182 32.362 32.500 0.074 0.000 0.724 572 K HN 0.204 nan 8.250 nan 0.000 0.446 573 Y N 0.305 120.554 120.300 -0.085 0.000 2.109 573 Y HA -0.158 4.390 4.550 -0.003 0.000 0.285 573 Y C 1.296 177.002 175.900 -0.324 0.000 1.131 573 Y CA 1.848 59.832 58.100 -0.194 0.000 1.121 573 Y CB -0.182 38.017 38.460 -0.436 0.000 0.987 573 Y HN -0.019 nan 8.280 nan 0.000 0.495 574 F N 0.510 120.492 119.950 0.054 0.000 2.804 574 F HA 0.041 4.567 4.527 -0.003 0.000 0.303 574 F C 2.161 177.893 175.800 -0.112 0.000 1.154 574 F CA 0.341 58.306 58.000 -0.059 0.000 1.401 574 F CB -0.455 38.525 39.000 -0.034 0.000 1.106 574 F HN 0.151 nan 8.300 nan 0.000 0.568 575 Q N 1.102 120.924 119.800 0.037 0.000 2.082 575 Q HA -0.237 4.101 4.340 -0.003 0.000 0.211 575 Q C -0.632 175.382 176.000 0.022 0.000 1.002 575 Q CA 2.596 58.417 55.803 0.031 0.000 0.868 575 Q CB -1.032 27.717 28.738 0.018 0.000 0.931 575 Q HN 0.212 nan 8.270 nan 0.000 0.414 576 P HA -0.191 nan 4.420 nan 0.000 0.211 576 P C 1.338 178.683 177.300 0.075 0.000 1.179 576 P CA 1.199 64.303 63.100 0.007 0.000 0.910 576 P CB -0.177 31.485 31.700 -0.065 0.000 0.785 577 V N -0.743 119.196 119.914 0.042 0.000 2.594 577 V HA -0.221 3.897 4.120 -0.003 0.000 0.253 577 V C 2.036 178.218 176.094 0.146 0.000 1.069 577 V CA 2.536 64.901 62.300 0.110 0.000 1.082 577 V CB -1.502 30.337 31.823 0.027 0.000 0.680 577 V HN 0.181 nan 8.190 nan 0.000 0.469 578 T N -0.526 114.085 114.554 0.094 0.000 2.746 578 T HA -0.230 4.118 4.350 -0.003 0.000 0.267 578 T C 1.825 176.551 174.700 0.044 0.000 1.039 578 T CA 2.033 64.161 62.100 0.048 0.000 1.142 578 T CB -0.133 68.760 68.868 0.041 0.000 0.866 578 T HN 0.446 nan 8.240 nan 0.000 0.444 579 Q N -0.754 119.089 119.800 0.072 0.000 2.137 579 Q HA 0.070 4.409 4.340 -0.003 0.000 0.198 579 Q C 1.691 177.732 176.000 0.069 0.000 0.960 579 Q CA 0.973 56.808 55.803 0.054 0.000 0.847 579 Q CB -0.319 28.456 28.738 0.060 0.000 0.915 579 Q HN 0.706 nan 8.270 nan 0.000 0.448 580 W N 0.207 121.480 121.300 -0.044 0.000 2.333 580 W HA -0.190 4.468 4.660 -0.003 0.000 0.316 580 W C 1.322 177.777 176.519 -0.107 0.000 1.215 580 W CA 1.531 58.848 57.345 -0.047 0.000 1.278 580 W CB -0.308 29.134 29.460 -0.031 0.000 1.154 580 W HN 0.132 nan 8.180 nan 0.000 0.486 581 L N 0.185 121.426 121.223 0.030 0.000 1.989 581 L HA -0.306 4.032 4.340 -0.003 0.000 0.211 581 L C 2.784 179.484 176.870 -0.284 0.000 1.071 581 L CA 1.960 56.632 54.840 -0.280 0.000 0.749 581 L CB -1.185 40.799 42.059 -0.126 0.000 0.890 581 L HN 0.109 nan 8.230 nan 0.000 0.431 582 Q N -0.336 119.373 119.800 -0.151 0.000 2.112 582 Q HA -0.309 4.029 4.340 -0.003 0.000 0.206 582 Q C 2.085 177.992 176.000 -0.155 0.000 0.987 582 Q CA 2.201 57.932 55.803 -0.120 0.000 0.858 582 Q CB 0.050 28.745 28.738 -0.072 0.000 0.905 582 Q HN 0.358 nan 8.270 nan 0.000 0.420 583 E N -0.404 119.671 120.200 -0.209 0.000 2.107 583 E HA -0.174 4.174 4.350 -0.003 0.000 0.191 583 E C 1.924 178.358 176.600 -0.278 0.000 0.982 583 E CA 1.023 57.297 56.400 -0.211 0.000 0.809 583 E CB 0.100 29.682 29.700 -0.197 0.000 0.756 583 E HN 0.242 nan 8.360 nan 0.000 0.459 584 Q N 0.389 119.909 119.800 -0.467 0.000 2.050 584 Q HA -0.108 4.230 4.340 -0.003 0.000 0.202 584 Q C 1.899 177.780 176.000 -0.197 0.000 0.980 584 Q CA 1.316 56.852 55.803 -0.445 0.000 0.840 584 Q CB -0.429 27.838 28.738 -0.784 0.000 0.898 584 Q HN 0.370 nan 8.270 nan 0.000 0.424 585 N N 0.607 119.222 118.700 -0.141 0.000 2.084 585 N HA -0.161 4.577 4.740 -0.003 0.000 0.190 585 N C 1.733 177.203 175.510 -0.067 0.000 1.030 585 N CA 0.834 53.853 53.050 -0.051 0.000 0.849 585 N CB -0.272 38.204 38.487 -0.019 0.000 1.012 585 N HN 0.272 nan 8.380 nan 0.000 0.423 586 Q N 1.535 121.284 119.800 -0.084 0.000 1.985 586 Q HA -0.193 4.145 4.340 -0.003 0.000 0.207 586 Q C 1.908 177.866 176.000 -0.070 0.000 0.996 586 Q CA 1.657 57.416 55.803 -0.072 0.000 0.851 586 Q CB -0.205 28.488 28.738 -0.074 0.000 0.921 586 Q HN 0.529 nan 8.270 nan 0.000 0.418 587 Q N 0.151 119.902 119.800 -0.081 0.000 2.062 587 Q HA -0.166 4.172 4.340 -0.003 0.000 0.209 587 Q C 1.479 177.443 176.000 -0.060 0.000 0.996 587 Q CA 1.362 57.125 55.803 -0.068 0.000 0.859 587 Q CB -0.551 28.142 28.738 -0.074 0.000 0.920 587 Q HN 0.438 nan 8.270 nan 0.000 0.415 588 N N 0.374 119.035 118.700 -0.065 0.000 2.551 588 N HA -0.002 4.736 4.740 -0.003 0.000 0.199 588 N C 0.595 176.068 175.510 -0.062 0.000 1.277 588 N CA 0.758 53.772 53.050 -0.060 0.000 0.870 588 N CB 0.266 38.718 38.487 -0.058 0.000 1.028 588 N HN 0.521 nan 8.380 nan 0.000 0.452 589 G N 1.113 109.878 108.800 -0.059 0.000 2.212 589 G HA2 -0.283 3.675 3.960 -0.003 0.000 0.267 589 G HA3 -0.283 3.675 3.960 -0.003 0.000 0.267 589 G C 0.280 175.144 174.900 -0.061 0.000 1.002 589 G CA 0.339 45.403 45.100 -0.059 0.000 0.729 589 G HN 0.287 nan 8.290 nan 0.000 0.517 590 E N -1.002 119.166 120.200 -0.054 0.000 2.447 590 E HA 0.337 4.685 4.350 -0.003 0.000 0.259 590 E C 0.604 177.178 176.600 -0.042 0.000 1.196 590 E CA -0.091 56.282 56.400 -0.045 0.000 0.995 590 E CB 0.777 30.469 29.700 -0.013 0.000 0.974 590 E HN 0.252 nan 8.360 nan 0.000 0.465 591 V N 2.569 122.463 119.914 -0.033 0.000 2.376 591 V HA 0.195 4.313 4.120 -0.003 0.000 0.287 591 V C 0.083 176.160 176.094 -0.027 0.000 1.015 591 V CA -0.556 61.721 62.300 -0.038 0.000 0.834 591 V CB 0.957 32.755 31.823 -0.043 0.000 1.001 591 V HN 0.382 nan 8.190 nan 0.000 0.428 592 L N 5.620 126.812 121.223 -0.052 0.000 2.477 592 L HA 0.604 4.942 4.340 -0.003 0.000 0.272 592 L C 1.110 177.890 176.870 -0.149 0.000 1.157 592 L CA 0.924 55.720 54.840 -0.072 0.000 0.889 592 L CB -0.015 41.993 42.059 -0.085 0.000 1.158 592 L HN 0.967 nan 8.230 nan 0.000 0.473 593 G N 3.295 111.990 108.800 -0.175 0.000 2.610 593 G HA2 -0.180 3.778 3.960 -0.003 0.000 0.304 593 G HA3 -0.180 3.778 3.960 -0.003 0.000 0.304 593 G C -1.445 173.442 174.900 -0.022 0.000 1.309 593 G CA -0.328 44.500 45.100 -0.453 0.000 0.906 593 G HN 0.806 nan 8.290 nan 0.000 0.521 594 W N -1.076 120.173 121.300 -0.085 0.000 2.453 594 W HA 0.665 5.323 4.660 -0.003 0.000 0.310 594 W C -1.631 174.911 176.519 0.039 0.000 1.000 594 W CA -1.765 55.571 57.345 -0.016 0.000 1.367 594 W CB 1.692 31.176 29.460 0.039 0.000 1.269 594 W HN 0.489 nan 8.180 nan 0.000 0.418 595 P HA -0.031 nan 4.420 nan 0.000 0.228 595 P C 0.320 177.672 177.300 0.086 0.000 1.166 595 P CA 1.036 64.175 63.100 0.065 0.000 0.812 595 P CB 0.573 32.273 31.700 0.000 0.000 0.857 596 E N 0.549 120.784 120.200 0.058 0.000 2.422 596 E HA 0.063 4.411 4.350 -0.003 0.000 0.267 596 E C -0.050 176.573 176.600 0.039 0.000 1.466 596 E CA -0.632 55.746 56.400 -0.037 0.000 1.767 596 E CB -0.589 29.082 29.700 -0.049 0.000 1.471 596 E HN 0.378 nan 8.360 nan 0.000 0.446 597 Y N -0.491 119.944 120.300 0.225 0.000 2.546 597 Y HA -0.158 4.390 4.550 -0.003 0.000 0.351 597 Y C 1.269 177.300 175.900 0.218 0.000 1.266 597 Y CA 0.096 58.352 58.100 0.259 0.000 1.487 597 Y CB 0.312 38.920 38.460 0.247 0.000 1.365 597 Y HN 0.298 nan 8.280 nan 0.000 0.642 598 Q N -0.963 119.047 119.800 0.351 0.000 2.347 598 Q HA -0.271 4.067 4.340 -0.003 0.000 0.159 598 Q C -0.690 175.441 176.000 0.217 0.000 0.568 598 Q CA 0.952 56.916 55.803 0.268 0.000 1.340 598 Q CB -1.430 27.345 28.738 0.061 0.000 1.236 598 Q HN 0.851 nan 8.270 nan 0.000 0.988 599 W N 1.564 122.837 121.300 -0.046 0.000 2.272 599 W HA 0.576 5.234 4.660 -0.002 0.000 0.318 599 W C -0.420 175.971 176.519 -0.215 0.000 1.255 599 W CA 0.325 57.641 57.345 -0.048 0.000 1.200 599 W CB 0.545 29.967 29.460 -0.063 0.000 1.170 599 W HN 0.227 nan 8.180 nan 0.000 0.549 600 H N 5.559 123.907 119.070 -1.203 0.000 2.717 600 H HA 0.400 4.955 4.556 -0.003 0.000 0.366 600 H C -2.086 172.292 175.328 -1.583 0.000 1.132 600 H CA -1.761 53.553 56.048 -1.223 0.000 1.180 600 H CB 1.805 31.206 29.762 -0.601 0.000 1.678 600 H HN 0.215 nan 8.280 nan 0.000 0.537 601 P HA 0.135 nan 4.420 nan 0.000 0.274 601 P C -2.609 174.553 177.300 -0.230 0.000 1.231 601 P CA -1.329 61.453 63.100 -0.530 0.000 0.790 601 P CB 0.881 32.487 31.700 -0.156 0.000 0.951 602 P HA 0.308 nan 4.420 nan 0.000 0.278 602 P C -0.114 177.188 177.300 0.005 0.000 1.266 602 P CA -0.468 62.624 63.100 -0.014 0.000 0.807 602 P CB 0.867 32.593 31.700 0.044 0.000 1.094 603 L N 1.149 122.338 121.223 -0.057 0.000 2.466 603 L HA 0.311 4.650 4.340 -0.003 0.000 0.257 603 L C -1.762 175.083 176.870 -0.041 0.000 1.189 603 L CA -1.880 52.862 54.840 -0.163 0.000 0.813 603 L CB -0.608 41.339 42.059 -0.186 0.000 1.118 603 L HN 0.276 nan 8.230 nan 0.000 0.471 604 P HA -0.012 nan 4.420 nan 0.000 0.269 604 P C -0.184 177.194 177.300 0.131 0.000 1.217 604 P CA -0.118 63.030 63.100 0.080 0.000 0.783 604 P CB 0.471 32.243 31.700 0.120 0.000 0.898 605 D N -0.248 120.240 120.400 0.146 0.000 2.133 605 D HA -0.146 4.492 4.640 -0.003 0.000 0.192 605 D C 0.291 176.658 176.300 0.112 0.000 1.001 605 D CA 1.750 55.816 54.000 0.109 0.000 0.844 605 D CB -0.247 40.606 40.800 0.088 0.000 0.944 605 D HN 0.295 nan 8.370 nan 0.000 0.447 606 N N -0.433 118.350 118.700 0.137 0.000 2.569 606 N HA 0.106 4.844 4.740 -0.003 0.000 0.254 606 N C -1.572 174.054 175.510 0.193 0.000 1.004 606 N CA -0.440 52.683 53.050 0.123 0.000 0.904 606 N CB 0.762 39.293 38.487 0.072 0.000 1.165 606 N HN 0.017 nan 8.380 nan 0.000 0.513 607 Y N 3.838 124.160 120.300 0.036 0.000 2.369 607 Y HA 0.508 5.056 4.550 -0.003 0.000 0.337 607 Y C -1.758 174.170 175.900 0.046 0.000 0.961 607 Y CA -1.779 56.348 58.100 0.045 0.000 1.186 607 Y CB 1.181 39.672 38.460 0.050 0.000 1.139 607 Y HN 0.380 nan 8.280 nan 0.000 0.494 608 P HA 0.311 nan 4.420 nan 0.000 0.321 608 P C -1.590 175.498 177.300 -0.354 0.000 1.496 608 P CA 0.084 62.730 63.100 -0.756 0.000 1.274 608 P CB 0.712 31.750 31.700 -1.104 0.000 2.236 609 E N 0.023 120.133 120.200 -0.151 0.000 2.182 609 E HA 0.661 5.009 4.350 -0.003 0.000 0.258 609 E C -0.015 176.549 176.600 -0.061 0.000 0.879 609 E CA -0.213 56.109 56.400 -0.131 0.000 0.754 609 E CB 1.759 31.405 29.700 -0.090 0.000 1.162 609 E HN 0.459 nan 8.360 nan 0.000 0.419 610 G N -0.852 107.900 108.800 -0.081 0.000 2.635 610 G HA2 0.565 4.523 3.960 -0.003 0.000 0.194 610 G HA3 0.565 4.523 3.960 -0.003 0.000 0.194 610 G C 0.084 174.964 174.900 -0.034 0.000 1.198 610 G CA 0.381 45.468 45.100 -0.021 0.000 0.972 610 G HN 1.504 nan 8.290 nan 0.000 0.520 611 I N 0.634 121.210 120.570 0.010 0.000 2.293 611 I HA 0.553 4.721 4.170 -0.003 0.000 0.280 611 I C 0.986 177.124 176.117 0.036 0.000 1.075 611 I CA 1.481 62.795 61.300 0.024 0.000 1.702 611 I CB -1.698 36.332 38.000 0.050 0.000 1.477 611 I HN 2.172 nan 8.210 nan 0.000 0.733 612 D N 0.000 120.370 120.400 -0.049 0.000 6.856 612 D HA 0.000 4.638 4.640 -0.003 0.000 0.175 612 D CA 0.000 53.915 54.000 -0.141 0.000 0.868 612 D CB 0.000 40.873 40.800 0.122 0.000 0.688 612 D HN 0.000 nan 8.370 nan 0.000 0.683