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 3kjv_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWXXXXXX XKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FRKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDICKL VGKLNWASQI YPGIKVRQLS KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN RGRQKVVTLT DTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DQSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVSAGI 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 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.356 177.300 0.094 0.000 1.155 1 P CA 0.000 63.141 63.100 0.068 0.000 0.800 1 P CB 0.000 31.730 31.700 0.050 0.000 0.726 2 I N 0.320 120.941 120.570 0.083 0.000 2.385 2 I HA 0.438 4.609 4.170 0.001 0.000 0.294 2 I C 1.040 177.217 176.117 0.101 0.000 0.988 2 I CA -0.122 61.239 61.300 0.101 0.000 1.265 2 I CB 1.592 39.643 38.000 0.084 0.000 1.388 2 I HN 0.401 nan 8.210 nan 0.000 0.480 3 S N 6.377 122.156 115.700 0.132 0.000 2.585 3 S HA 0.291 4.762 4.470 0.001 0.000 0.273 3 S C -1.396 173.300 174.600 0.161 0.000 1.339 3 S CA -0.996 57.305 58.200 0.168 0.000 1.028 3 S CB 0.628 63.949 63.200 0.201 0.000 0.906 3 S HN 0.534 nan 8.310 nan 0.000 0.528 4 P HA 0.120 nan 4.420 nan 0.000 0.245 4 P C 0.696 178.178 177.300 0.304 0.000 1.206 4 P CA -0.001 63.199 63.100 0.167 0.000 0.781 4 P CB -0.172 31.530 31.700 0.003 0.000 0.994 5 I N 1.456 122.259 120.570 0.388 0.000 2.845 5 I HA -0.064 4.106 4.170 0.001 0.000 0.296 5 I C 0.648 176.840 176.117 0.124 0.000 1.216 5 I CA 0.024 61.459 61.300 0.226 0.000 1.438 5 I CB 0.526 38.545 38.000 0.032 0.000 1.342 5 I HN -0.084 nan 8.210 nan 0.000 0.577 6 E N 5.198 125.451 120.200 0.089 0.000 2.437 6 E HA -0.033 4.317 4.350 0.001 0.000 0.263 6 E C -0.009 176.613 176.600 0.036 0.000 1.030 6 E CA 0.173 56.608 56.400 0.060 0.000 0.934 6 E CB 0.447 30.173 29.700 0.044 0.000 0.943 6 E HN 0.596 nan 8.360 nan 0.000 0.444 7 T N 0.347 114.925 114.554 0.041 0.000 2.899 7 T HA 0.301 4.652 4.350 0.001 0.000 0.284 7 T C -0.420 174.296 174.700 0.028 0.000 1.004 7 T CA -0.709 61.413 62.100 0.036 0.000 1.043 7 T CB 0.790 69.687 68.868 0.049 0.000 1.013 7 T HN 0.128 nan 8.240 nan 0.000 0.518 8 V N 6.552 126.481 119.914 0.024 0.000 2.370 8 V HA 0.421 4.542 4.120 0.001 0.000 0.283 8 V C -1.949 174.175 176.094 0.051 0.000 1.023 8 V CA -1.780 60.535 62.300 0.025 0.000 0.857 8 V CB 1.386 33.208 31.823 -0.001 0.000 0.985 8 V HN 0.821 nan 8.190 nan 0.000 0.443 9 P HA 0.219 nan 4.420 nan 0.000 0.276 9 P C -0.774 176.582 177.300 0.094 0.000 1.253 9 P CA 0.128 63.276 63.100 0.079 0.000 0.766 9 P CB 1.167 32.909 31.700 0.071 0.000 0.845 10 V N 1.565 121.528 119.914 0.082 0.000 2.588 10 V HA 0.629 4.750 4.120 0.001 0.000 0.304 10 V C 0.047 176.235 176.094 0.158 0.000 1.042 10 V CA -1.058 61.279 62.300 0.061 0.000 0.877 10 V CB 1.931 33.736 31.823 -0.029 0.000 0.996 10 V HN 0.592 nan 8.190 nan 0.000 0.425 11 K N 3.883 124.369 120.400 0.143 0.000 2.416 11 K HA 0.803 5.124 4.320 0.001 0.000 0.244 11 K C -1.039 175.690 176.600 0.215 0.000 1.044 11 K CA -0.908 55.501 56.287 0.203 0.000 0.972 11 K CB 1.161 33.718 32.500 0.094 0.000 1.286 11 K HN 0.476 nan 8.250 nan 0.000 0.500 12 L N 0.990 122.261 121.223 0.078 0.000 2.431 12 L HA 0.363 4.704 4.340 0.001 0.000 0.260 12 L C 0.301 177.155 176.870 -0.026 0.000 1.098 12 L CA -0.490 54.334 54.840 -0.028 0.000 0.800 12 L CB 0.523 42.446 42.059 -0.228 0.000 1.210 12 L HN 0.596 nan 8.230 nan 0.000 0.465 13 K N 1.296 121.673 120.400 -0.038 0.000 2.402 13 K HA -0.002 4.318 4.320 0.001 0.000 0.265 13 K C -1.540 175.046 176.600 -0.023 0.000 0.978 13 K CA -0.755 55.511 56.287 -0.034 0.000 0.913 13 K CB -0.093 32.389 32.500 -0.031 0.000 0.954 13 K HN 0.354 nan 8.250 nan 0.000 0.511 14 P HA -0.108 nan 4.420 nan 0.000 0.226 14 P C -0.038 177.264 177.300 0.003 0.000 1.146 14 P CA 0.943 64.041 63.100 -0.003 0.000 0.773 14 P CB 0.291 31.990 31.700 -0.002 0.000 0.772 15 G N -1.041 107.758 108.800 -0.001 0.000 3.846 15 G HA2 0.468 4.428 3.960 0.001 0.000 0.281 15 G HA3 0.468 4.428 3.960 0.001 0.000 0.281 15 G C -0.662 174.239 174.900 0.002 0.000 1.384 15 G CA -0.300 44.804 45.100 0.006 0.000 0.641 15 G HN -0.184 nan 8.290 nan 0.000 0.458 16 M N 0.133 119.727 119.600 -0.010 0.000 2.631 16 M HA 0.480 4.960 4.480 0.001 0.000 0.288 16 M C -0.025 176.268 176.300 -0.012 0.000 1.260 16 M CA -0.841 54.448 55.300 -0.018 0.000 0.842 16 M CB 1.914 34.483 32.600 -0.052 0.000 1.743 16 M HN 0.183 nan 8.290 nan 0.000 0.461 17 D N 0.049 120.457 120.400 0.014 0.000 2.355 17 D HA 0.353 4.993 4.640 0.001 0.000 0.206 17 D C 0.606 176.918 176.300 0.020 0.000 1.010 17 D CA 1.474 55.531 54.000 0.096 0.000 0.875 17 D CB 0.690 41.585 40.800 0.159 0.000 0.966 17 D HN 0.992 nan 8.370 nan 0.000 0.512 18 G N 0.138 108.847 108.800 -0.153 0.000 2.555 18 G HA2 -0.081 3.880 3.960 0.001 0.000 0.686 18 G HA3 -0.081 3.880 3.960 0.001 0.000 0.686 18 G C -2.720 172.143 174.900 -0.060 0.000 1.275 18 G CA -0.531 44.375 45.100 -0.323 0.000 0.871 18 G HN 0.076 nan 8.290 nan 0.000 0.603 19 P HA 0.481 nan 4.420 nan 0.000 0.277 19 P C -0.605 176.807 177.300 0.188 0.000 1.276 19 P CA -0.049 63.109 63.100 0.097 0.000 0.788 19 P CB 0.599 32.370 31.700 0.118 0.000 1.114 20 K N -1.383 119.109 120.400 0.152 0.000 2.426 20 K HA 0.476 4.797 4.320 0.001 0.000 0.332 20 K C -1.021 175.638 176.600 0.097 0.000 1.275 20 K CA -0.721 55.654 56.287 0.148 0.000 1.121 20 K CB -0.132 32.467 32.500 0.165 0.000 1.395 20 K HN 0.279 nan 8.250 nan 0.000 0.468 21 V N -1.304 118.662 119.914 0.086 0.000 3.121 21 V HA 0.668 4.788 4.120 0.001 0.000 0.308 21 V C -1.164 174.967 176.094 0.061 0.000 1.492 21 V CA -1.037 61.301 62.300 0.064 0.000 1.034 21 V CB 1.789 33.648 31.823 0.059 0.000 1.066 21 V HN 0.687 nan 8.190 nan 0.000 0.472 22 K N -0.557 119.874 120.400 0.051 0.000 2.126 22 K HA 0.654 4.975 4.320 0.001 0.000 0.245 22 K C 0.291 176.924 176.600 0.054 0.000 1.068 22 K CA -0.028 56.290 56.287 0.052 0.000 0.877 22 K CB 1.208 33.730 32.500 0.038 0.000 1.406 22 K HN 0.856 nan 8.250 nan 0.000 0.490 23 Q N -2.009 117.825 119.800 0.056 0.000 2.563 23 Q HA 0.234 4.574 4.340 0.001 0.000 0.236 23 Q C -0.001 176.028 176.000 0.049 0.000 0.792 23 Q CA 0.023 55.862 55.803 0.061 0.000 0.960 23 Q CB 1.040 29.831 28.738 0.089 0.000 1.304 23 Q HN 0.493 nan 8.270 nan 0.000 0.566 33 A N 2.271 125.107 122.820 0.027 0.000 2.770 33 A HA 0.533 4.853 4.320 0.001 0.000 0.292 33 A C 0.584 178.188 177.584 0.033 0.000 1.604 33 A CA -0.060 51.990 52.037 0.022 0.000 1.271 33 A CB -1.447 17.558 19.000 0.008 0.000 1.075 33 A HN 1.152 nan 8.150 nan 0.000 0.573 34 L N 2.422 123.670 121.223 0.042 0.000 2.456 34 L HA 0.471 4.812 4.340 0.001 0.000 0.277 34 L C 0.191 177.094 176.870 0.054 0.000 1.124 34 L CA -0.374 54.499 54.840 0.056 0.000 0.880 34 L CB -0.763 41.334 42.059 0.064 0.000 1.192 34 L HN 0.341 nan 8.230 nan 0.000 0.463 35 V N 0.293 120.242 119.914 0.059 0.000 2.837 35 V HA 0.657 4.778 4.120 0.001 0.000 0.310 35 V C 0.155 176.291 176.094 0.069 0.000 1.059 35 V CA -0.666 61.668 62.300 0.057 0.000 1.004 35 V CB 1.591 33.446 31.823 0.054 0.000 1.045 35 V HN 0.746 nan 8.190 nan 0.000 0.465 36 E N 1.621 121.860 120.200 0.065 0.000 2.683 36 E HA 0.428 4.779 4.350 0.001 0.000 0.224 36 E C 0.132 176.767 176.600 0.059 0.000 1.046 36 E CA -0.314 56.126 56.400 0.066 0.000 0.811 36 E CB 0.489 30.225 29.700 0.061 0.000 1.296 36 E HN 0.606 nan 8.360 nan 0.000 0.421 37 I N 1.226 121.832 120.570 0.060 0.000 3.226 37 I HA -0.101 4.069 4.170 0.001 0.000 0.277 37 I C 1.797 177.921 176.117 0.012 0.000 1.243 37 I CA 0.284 61.612 61.300 0.047 0.000 1.459 37 I CB -0.708 37.328 38.000 0.061 0.000 1.093 37 I HN 0.522 nan 8.210 nan 0.000 0.453 38 C N 1.605 120.912 119.300 0.012 0.000 2.485 38 C HA -0.087 4.374 4.460 0.001 0.000 0.283 38 C C 2.655 177.553 174.990 -0.153 0.000 1.478 38 C CA 1.647 60.628 59.018 -0.061 0.000 1.741 38 C CB -1.522 26.252 27.740 0.056 0.000 1.675 38 C HN 0.650 nan 8.230 nan 0.000 0.573 39 T N -3.782 110.745 114.554 -0.045 0.000 3.015 39 T HA 0.030 4.380 4.350 0.001 0.000 0.250 39 T C 1.697 176.372 174.700 -0.042 0.000 1.057 39 T CA 0.404 62.481 62.100 -0.037 0.000 1.066 39 T CB -0.298 68.589 68.868 0.031 0.000 0.959 39 T HN 0.370 nan 8.240 nan 0.000 0.488 40 E N 1.794 121.979 120.200 -0.026 0.000 2.077 40 E HA -0.043 4.308 4.350 0.001 0.000 0.193 40 E C 2.086 178.666 176.600 -0.033 0.000 0.989 40 E CA 1.061 57.454 56.400 -0.011 0.000 0.800 40 E CB -0.311 29.397 29.700 0.014 0.000 0.746 40 E HN 0.595 nan 8.360 nan 0.000 0.452 41 M N 0.082 119.639 119.600 -0.072 0.000 2.086 41 M HA -0.194 4.286 4.480 0.001 0.000 0.261 41 M C 2.286 178.501 176.300 -0.142 0.000 1.067 41 M CA 1.784 57.016 55.300 -0.114 0.000 1.116 41 M CB -0.606 31.877 32.600 -0.195 0.000 1.348 41 M HN -0.024 nan 8.290 nan 0.000 0.407 42 E N 2.212 122.295 120.200 -0.194 0.000 2.095 42 E HA -0.278 4.073 4.350 0.001 0.000 0.212 42 E C 1.654 178.218 176.600 -0.060 0.000 1.044 42 E CA 2.682 58.998 56.400 -0.139 0.000 0.857 42 E CB -0.364 29.287 29.700 -0.082 0.000 0.764 42 E HN 0.622 nan 8.360 nan 0.000 0.462 43 K N -0.371 120.007 120.400 -0.037 0.000 2.525 43 K HA -0.019 4.302 4.320 0.001 0.000 0.192 43 K C 1.289 177.883 176.600 -0.010 0.000 1.029 43 K CA 1.182 57.461 56.287 -0.014 0.000 1.029 43 K CB 0.165 32.663 32.500 -0.004 0.000 0.814 43 K HN 0.216 nan 8.250 nan 0.000 0.503 44 E N 0.119 120.308 120.200 -0.017 0.000 2.476 44 E HA 0.077 4.428 4.350 0.001 0.000 0.199 44 E C 0.645 177.244 176.600 -0.003 0.000 1.021 44 E CA 0.324 56.724 56.400 -0.001 0.000 0.907 44 E CB 0.719 30.426 29.700 0.011 0.000 0.974 44 E HN 0.612 nan 8.360 nan 0.000 0.489 45 G N 1.989 110.776 108.800 -0.022 0.000 2.194 45 G HA2 -0.321 3.640 3.960 0.001 0.000 0.236 45 G HA3 -0.321 3.640 3.960 0.001 0.000 0.236 45 G C 1.007 175.889 174.900 -0.029 0.000 0.987 45 G CA 0.453 45.544 45.100 -0.015 0.000 0.635 45 G HN 0.194 nan 8.290 nan 0.000 0.520 46 K N 0.096 120.460 120.400 -0.059 0.000 2.296 46 K HA 0.307 4.627 4.320 0.001 0.000 0.200 46 K C 1.212 177.720 176.600 -0.153 0.000 1.048 46 K CA 1.342 57.575 56.287 -0.089 0.000 0.966 46 K CB 0.140 32.559 32.500 -0.135 0.000 0.754 46 K HN 0.795 nan 8.250 nan 0.000 0.466 47 I N -2.984 117.462 120.570 -0.207 0.000 2.722 47 I HA 0.364 4.534 4.170 0.001 0.000 0.295 47 I C -0.955 175.078 176.117 -0.141 0.000 1.161 47 I CA -0.896 60.259 61.300 -0.241 0.000 1.032 47 I CB 2.485 40.205 38.000 -0.467 0.000 1.244 47 I HN -0.291 nan 8.210 nan 0.000 0.421 48 S N 3.595 119.274 115.700 -0.035 0.000 2.681 48 S HA 0.536 5.006 4.470 0.001 0.000 0.299 48 S C -0.367 174.330 174.600 0.161 0.000 1.113 48 S CA -1.003 57.221 58.200 0.041 0.000 1.013 48 S CB 1.702 64.911 63.200 0.016 0.000 1.076 48 S HN 0.529 nan 8.310 nan 0.000 0.534 49 K N 1.422 121.912 120.400 0.150 0.000 2.098 49 K HA 0.537 4.857 4.320 0.001 0.000 0.257 49 K C -0.238 176.315 176.600 -0.078 0.000 0.999 49 K CA -0.354 55.939 56.287 0.009 0.000 0.924 49 K CB 0.615 33.071 32.500 -0.074 0.000 1.028 49 K HN 0.632 nan 8.250 nan 0.000 0.466 50 I N -2.778 117.693 120.570 -0.165 0.000 2.828 50 I HA 0.505 4.676 4.170 0.001 0.000 0.302 50 I C -0.104 175.932 176.117 -0.134 0.000 1.101 50 I CA -1.122 60.102 61.300 -0.127 0.000 1.031 50 I CB 2.138 40.066 38.000 -0.120 0.000 1.231 50 I HN 0.519 nan 8.210 nan 0.000 0.427 51 G N 3.291 112.030 108.800 -0.102 0.000 2.325 51 G HA2 0.509 4.469 3.960 0.001 0.000 0.298 51 G HA3 0.509 4.469 3.960 0.001 0.000 0.298 51 G C -2.383 172.456 174.900 -0.101 0.000 1.134 51 G CA -1.433 43.609 45.100 -0.096 0.000 0.876 51 G HN 0.552 nan 8.290 nan 0.000 0.452 52 P HA 0.039 nan 4.420 nan 0.000 0.290 52 P C 0.265 177.505 177.300 -0.099 0.000 1.584 52 P CA 0.449 63.487 63.100 -0.103 0.000 0.813 52 P CB 0.157 31.800 31.700 -0.094 0.000 1.775 53 E N -2.105 118.033 120.200 -0.104 0.000 2.630 53 E HA 0.051 4.401 4.350 0.001 0.000 0.218 53 E C 0.102 176.612 176.600 -0.150 0.000 0.977 53 E CA -0.376 55.956 56.400 -0.113 0.000 1.038 53 E CB -1.011 28.637 29.700 -0.087 0.000 1.051 53 E HN 0.092 nan 8.360 nan 0.000 0.487 54 N N 2.310 120.918 118.700 -0.155 0.000 2.399 54 N HA 0.106 4.847 4.740 0.001 0.000 0.259 54 N C -1.671 173.657 175.510 -0.304 0.000 1.160 54 N CA -1.338 51.589 53.050 -0.204 0.000 0.946 54 N CB 0.906 39.323 38.487 -0.116 0.000 1.156 54 N HN -0.193 nan 8.380 nan 0.000 0.489 55 P HA -0.115 nan 4.420 nan 0.000 0.218 55 P C -0.706 176.332 177.300 -0.436 0.000 1.149 55 P CA 1.182 63.935 63.100 -0.579 0.000 0.817 55 P CB 0.073 31.284 31.700 -0.814 0.000 0.785 56 Y N -0.449 119.848 120.300 -0.005 0.000 2.307 56 Y HA 0.485 5.036 4.550 0.001 0.000 0.324 56 Y C 0.877 176.793 175.900 0.026 0.000 1.238 56 Y CA -0.747 57.370 58.100 0.029 0.000 1.280 56 Y CB 0.128 38.625 38.460 0.062 0.000 1.248 56 Y HN -0.188 nan 8.280 nan 0.000 0.508 57 N N -0.286 118.537 118.700 0.206 0.000 2.367 57 N HA 0.436 5.177 4.740 0.001 0.000 0.278 57 N C -1.644 173.954 175.510 0.146 0.000 1.117 57 N CA -0.621 52.518 53.050 0.149 0.000 0.867 57 N CB 1.646 40.184 38.487 0.084 0.000 1.649 57 N HN 0.708 nan 8.380 nan 0.000 0.479 58 T N 0.639 115.276 114.554 0.138 0.000 2.841 58 T HA 0.663 5.013 4.350 0.001 0.000 0.283 58 T C -2.767 171.970 174.700 0.061 0.000 1.000 58 T CA -1.826 60.319 62.100 0.075 0.000 0.977 58 T CB 1.880 70.741 68.868 -0.012 0.000 0.979 58 T HN 0.304 nan 8.240 nan 0.000 0.446 59 P HA 0.279 nan 4.420 nan 0.000 0.270 59 P C -0.123 177.227 177.300 0.083 0.000 1.227 59 P CA -0.258 62.897 63.100 0.091 0.000 0.788 59 P CB 0.575 32.337 31.700 0.104 0.000 0.926 60 V N -1.895 118.105 119.914 0.144 0.000 3.181 60 V HA 0.913 5.033 4.120 0.001 0.000 0.307 60 V C -1.048 175.211 176.094 0.274 0.000 1.310 60 V CA -0.824 61.519 62.300 0.072 0.000 1.067 60 V CB 1.708 33.507 31.823 -0.040 0.000 1.081 60 V HN 0.730 nan 8.190 nan 0.000 0.453 61 F N -1.816 118.133 119.950 -0.001 0.000 3.265 61 F HA 0.980 5.508 4.527 0.001 0.000 0.328 61 F C -0.814 175.004 175.800 0.029 0.000 1.117 61 F CA -0.681 57.331 58.000 0.019 0.000 0.850 61 F CB 0.351 39.360 39.000 0.015 0.000 1.470 61 F HN 1.339 nan 8.300 nan 0.000 0.473 62 A N 0.167 123.175 122.820 0.314 0.000 2.515 62 A HA 0.930 5.251 4.320 0.001 0.000 0.296 62 A C -0.491 177.271 177.584 0.296 0.000 1.094 62 A CA -0.107 52.047 52.037 0.196 0.000 0.718 62 A CB 1.481 20.562 19.000 0.136 0.000 1.307 62 A HN 1.519 nan 8.150 nan 0.000 0.408 63 I N -2.350 118.351 120.570 0.219 0.000 3.194 63 I HA 0.668 4.838 4.170 0.001 0.000 0.281 63 I C -0.221 175.998 176.117 0.170 0.000 0.940 63 I CA -0.229 61.187 61.300 0.194 0.000 2.252 63 I CB 0.449 38.570 38.000 0.200 0.000 1.665 63 I HN 0.798 nan 8.210 nan 0.000 0.450 64 K N 1.328 121.805 120.400 0.127 0.000 3.423 64 K HA 0.218 4.538 4.320 0.001 0.000 0.374 64 K C -1.830 174.766 176.600 -0.007 0.000 1.110 64 K CA -0.718 55.624 56.287 0.092 0.000 0.868 64 K CB 1.161 33.751 32.500 0.150 0.000 1.445 64 K HN 0.307 nan 8.250 nan 0.000 0.454 65 K N 1.616 121.956 120.400 -0.101 0.000 2.126 65 K HA 0.161 4.482 4.320 0.001 0.000 0.257 65 K C 0.596 177.140 176.600 -0.094 0.000 1.007 65 K CA -0.201 56.009 56.287 -0.128 0.000 0.928 65 K CB 0.992 33.363 32.500 -0.215 0.000 1.013 65 K HN 0.578 nan 8.250 nan 0.000 0.473 66 K N 1.043 121.387 120.400 -0.093 0.000 2.288 66 K HA -0.134 4.187 4.320 0.001 0.000 0.201 66 K C -0.395 176.156 176.600 -0.082 0.000 1.048 66 K CA 1.298 57.538 56.287 -0.078 0.000 0.956 66 K CB 0.160 32.608 32.500 -0.086 0.000 0.746 66 K HN 0.497 nan 8.250 nan 0.000 0.461 67 D N 0.086 120.424 120.400 -0.103 0.000 2.454 67 D HA 0.026 4.666 4.640 0.001 0.000 0.247 67 D C -1.342 174.871 176.300 -0.144 0.000 1.129 67 D CA -0.334 53.606 54.000 -0.100 0.000 0.877 67 D CB 1.519 42.263 40.800 -0.093 0.000 1.082 67 D HN -0.075 nan 8.370 nan 0.000 0.537 68 S N 2.978 118.598 115.700 -0.135 0.000 2.808 68 S HA 0.043 4.514 4.470 0.001 0.000 0.342 68 S C 1.138 175.538 174.600 -0.334 0.000 1.154 68 S CA 0.810 58.876 58.200 -0.224 0.000 1.476 68 S CB -0.647 62.496 63.200 -0.096 0.000 1.290 68 S HN 0.592 nan 8.310 nan 0.000 0.582 69 T N 1.097 115.386 114.554 -0.443 0.000 2.980 69 T HA 0.265 4.615 4.350 0.001 0.000 0.252 69 T C 0.264 174.522 174.700 -0.735 0.000 0.962 69 T CA -0.437 61.391 62.100 -0.454 0.000 0.932 69 T CB 0.027 68.746 68.868 -0.250 0.000 1.188 69 T HN 0.671 nan 8.240 nan 0.000 0.500 70 K N 0.124 120.047 120.400 -0.794 0.000 2.395 70 K HA 0.600 4.920 4.320 0.001 0.000 0.247 70 K C -1.813 174.243 176.600 -0.908 0.000 0.973 70 K CA -1.274 54.479 56.287 -0.890 0.000 0.828 70 K CB 1.455 33.726 32.500 -0.381 0.000 1.272 70 K HN 0.261 nan 8.250 nan 0.000 0.439 71 W N 2.282 123.584 121.300 0.003 0.000 2.313 71 W HA 0.443 5.104 4.660 0.001 0.000 0.315 71 W C 0.025 176.551 176.519 0.012 0.000 0.917 71 W CA -0.884 56.467 57.345 0.010 0.000 1.626 71 W CB 0.543 30.012 29.460 0.014 0.000 1.574 71 W HN 0.248 nan 8.180 nan 0.000 0.395 72 R N 1.939 122.496 120.500 0.096 0.000 2.738 72 R HA 0.362 4.703 4.340 0.001 0.000 0.275 72 R C 0.287 176.616 176.300 0.047 0.000 1.121 72 R CA -0.620 55.504 56.100 0.040 0.000 1.207 72 R CB 0.546 30.840 30.300 -0.010 0.000 1.141 72 R HN 0.195 nan 8.270 nan 0.000 0.571 73 K N 0.524 120.925 120.400 0.002 0.000 2.267 73 K HA 0.584 4.904 4.320 0.001 0.000 0.246 73 K C -1.581 174.917 176.600 -0.171 0.000 0.954 73 K CA -0.741 55.501 56.287 -0.075 0.000 0.824 73 K CB 1.415 33.890 32.500 -0.041 0.000 1.167 73 K HN 0.339 nan 8.250 nan 0.000 0.431 74 L N 1.822 122.778 121.223 -0.445 0.000 2.653 74 L HA 0.566 4.907 4.340 0.001 0.000 0.257 74 L C -1.899 174.418 176.870 -0.921 0.000 0.969 74 L CA -0.607 53.894 54.840 -0.565 0.000 0.869 74 L CB 2.322 44.079 42.059 -0.504 0.000 1.439 74 L HN 0.541 nan 8.230 nan 0.000 0.414 75 V N 1.733 121.355 119.914 -0.488 0.000 2.715 75 V HA 0.423 4.544 4.120 0.001 0.000 0.310 75 V C -0.876 175.135 176.094 -0.137 0.000 1.054 75 V CA -0.491 61.519 62.300 -0.482 0.000 0.928 75 V CB 1.837 33.212 31.823 -0.746 0.000 1.007 75 V HN 0.832 nan 8.190 nan 0.000 0.437 76 D N 2.041 122.462 120.400 0.035 0.000 2.557 76 D HA 0.308 4.949 4.640 0.001 0.000 0.236 76 D C 0.325 176.670 176.300 0.075 0.000 1.154 76 D CA -0.239 53.891 54.000 0.216 0.000 0.985 76 D CB -0.008 40.971 40.800 0.299 0.000 1.010 76 D HN 0.397 nan 8.370 nan 0.000 0.516 77 F N 0.968 121.032 119.950 0.190 0.000 2.802 77 F HA 0.152 4.679 4.527 0.001 0.000 0.302 77 F C 2.267 178.174 175.800 0.179 0.000 1.211 77 F CA -0.056 58.058 58.000 0.191 0.000 1.431 77 F CB -0.215 38.931 39.000 0.243 0.000 1.114 77 F HN 0.304 nan 8.300 nan 0.000 0.567 78 R N 0.574 121.242 120.500 0.280 0.000 2.261 78 R HA -0.227 4.113 4.340 0.001 0.000 0.236 78 R C 2.074 178.476 176.300 0.169 0.000 1.141 78 R CA 1.415 57.633 56.100 0.198 0.000 1.001 78 R CB -0.026 30.355 30.300 0.135 0.000 0.866 78 R HN 0.253 nan 8.270 nan 0.000 0.468 79 E N -0.270 120.039 120.200 0.181 0.000 2.099 79 E HA -0.085 4.265 4.350 0.001 0.000 0.191 79 E C 1.586 178.290 176.600 0.173 0.000 0.962 79 E CA 0.485 56.973 56.400 0.146 0.000 0.826 79 E CB -0.339 29.433 29.700 0.120 0.000 0.788 79 E HN 0.213 nan 8.360 nan 0.000 0.461 80 L N 1.385 122.762 121.223 0.257 0.000 2.042 80 L HA -0.136 4.204 4.340 0.001 0.000 0.210 80 L C 1.468 178.531 176.870 0.322 0.000 1.076 80 L CA 1.902 56.910 54.840 0.281 0.000 0.749 80 L CB -1.064 41.263 42.059 0.446 0.000 0.893 80 L HN 0.120 nan 8.230 nan 0.000 0.432 81 N N 0.189 119.103 118.700 0.357 0.000 2.149 81 N HA -0.220 4.520 4.740 0.001 0.000 0.188 81 N C 1.750 177.353 175.510 0.155 0.000 1.019 81 N CA 1.334 54.549 53.050 0.275 0.000 0.857 81 N CB -0.288 38.324 38.487 0.208 0.000 0.997 81 N HN 0.418 nan 8.380 nan 0.000 0.426 82 K N 0.527 121.003 120.400 0.128 0.000 2.525 82 K HA 0.112 4.432 4.320 0.001 0.000 0.192 82 K C 0.859 177.490 176.600 0.051 0.000 1.029 82 K CA 0.419 56.749 56.287 0.072 0.000 1.029 82 K CB 0.285 32.825 32.500 0.065 0.000 0.814 82 K HN 0.146 nan 8.250 nan 0.000 0.503 83 R N -0.819 119.720 120.500 0.065 0.000 2.521 83 R HA 0.049 4.390 4.340 0.001 0.000 0.289 83 R C 0.095 176.408 176.300 0.022 0.000 0.936 83 R CA 0.079 56.190 56.100 0.018 0.000 1.089 83 R CB 1.016 31.303 30.300 -0.021 0.000 1.348 83 R HN 0.077 nan 8.270 nan 0.000 0.536 84 T N 0.075 114.697 114.554 0.115 0.000 2.909 84 T HA 0.177 4.527 4.350 0.001 0.000 0.289 84 T C 0.402 175.084 174.700 -0.030 0.000 1.005 84 T CA -0.925 61.280 62.100 0.174 0.000 1.084 84 T CB 1.377 70.546 68.868 0.501 0.000 0.975 84 T HN 0.195 nan 8.240 nan 0.000 0.509 85 Q N 1.844 121.576 119.800 -0.114 0.000 2.498 85 Q HA 0.052 4.393 4.340 0.001 0.000 0.299 85 Q C -0.639 175.080 176.000 -0.469 0.000 1.178 85 Q CA -0.082 55.563 55.803 -0.263 0.000 0.997 85 Q CB 0.100 28.657 28.738 -0.301 0.000 1.306 85 Q HN 0.591 nan 8.270 nan 0.000 0.468 86 D N 0.373 120.555 120.400 -0.364 0.000 2.339 86 D HA 0.264 4.905 4.640 0.001 0.000 0.245 86 D C -0.671 175.299 176.300 -0.549 0.000 1.115 86 D CA 0.119 53.915 54.000 -0.340 0.000 0.917 86 D CB 0.439 41.164 40.800 -0.125 0.000 1.192 86 D HN 0.365 nan 8.370 nan 0.000 0.428 87 F N -0.135 119.779 119.950 -0.060 0.000 2.541 87 F HA 0.307 4.834 4.527 0.001 0.000 0.331 87 F C 0.283 176.122 175.800 0.065 0.000 1.057 87 F CA -1.108 56.871 58.000 -0.036 0.000 0.975 87 F CB 1.608 40.524 39.000 -0.139 0.000 1.246 87 F HN 0.202 nan 8.300 nan 0.000 0.484 88 W N 3.802 125.185 121.300 0.138 0.000 2.317 88 W HA 0.241 4.902 4.660 0.001 0.000 0.327 88 W C -0.460 176.074 176.519 0.025 0.000 1.036 88 W CA -0.635 56.741 57.345 0.053 0.000 1.419 88 W CB 0.647 30.120 29.460 0.020 0.000 1.253 88 W HN 0.514 nan 8.180 nan 0.000 0.392 89 E N 2.148 122.142 120.200 -0.343 0.000 2.422 89 E HA -0.038 4.312 4.350 0.001 0.000 0.260 89 E C 0.874 177.336 176.600 -0.231 0.000 1.108 89 E CA 0.329 56.565 56.400 -0.274 0.000 0.943 89 E CB 1.789 31.302 29.700 -0.311 0.000 0.961 89 E HN 0.479 nan 8.360 nan 0.000 0.443 90 V N -1.213 118.624 119.914 -0.129 0.000 3.432 90 V HA 0.173 4.293 4.120 0.001 0.000 0.298 90 V C 0.519 176.578 176.094 -0.058 0.000 1.464 90 V CA -0.332 61.941 62.300 -0.046 0.000 1.046 90 V CB 0.329 32.141 31.823 -0.019 0.000 0.887 90 V HN 0.326 nan 8.190 nan 0.000 0.441 91 Q N 0.875 120.620 119.800 -0.092 0.000 2.323 91 Q HA 0.469 4.810 4.340 0.001 0.000 0.257 91 Q C 0.385 176.360 176.000 -0.043 0.000 1.022 91 Q CA -0.042 55.727 55.803 -0.056 0.000 0.919 91 Q CB 1.429 30.123 28.738 -0.074 0.000 1.220 91 Q HN 0.393 nan 8.270 nan 0.000 0.427 92 L N 2.365 123.581 121.223 -0.010 0.000 2.529 92 L HA 0.452 4.793 4.340 0.001 0.000 0.223 92 L C 0.843 177.714 176.870 0.002 0.000 1.113 92 L CA 0.812 55.647 54.840 -0.008 0.000 0.861 92 L CB -0.023 42.044 42.059 0.013 0.000 1.012 92 L HN 0.696 nan 8.230 nan 0.000 0.461 93 G N -1.421 107.395 108.800 0.026 0.000 2.430 93 G HA2 0.427 4.388 3.960 0.001 0.000 0.300 93 G HA3 0.427 4.388 3.960 0.001 0.000 0.300 93 G C -1.733 173.200 174.900 0.054 0.000 1.330 93 G CA -0.643 44.473 45.100 0.027 0.000 0.813 93 G HN -0.217 nan 8.290 nan 0.000 0.487 94 I N 1.545 122.111 120.570 -0.005 0.000 2.354 94 I HA 0.395 4.565 4.170 0.001 0.000 0.292 94 I C -2.050 174.005 176.117 -0.103 0.000 0.989 94 I CA -2.588 58.639 61.300 -0.123 0.000 1.188 94 I CB 0.494 38.401 38.000 -0.155 0.000 1.342 94 I HN 0.189 nan 8.210 nan 0.000 0.457 95 P HA 0.198 nan 4.420 nan 0.000 0.269 95 P C -0.476 176.836 177.300 0.020 0.000 1.209 95 P CA 0.134 63.265 63.100 0.051 0.000 0.776 95 P CB 0.656 32.531 31.700 0.291 0.000 0.876 96 H N 2.898 121.927 119.070 -0.068 0.000 2.492 96 H HA 0.174 4.730 4.556 0.001 0.000 0.345 96 H C -1.650 173.508 175.328 -0.284 0.000 1.136 96 H CA -2.091 53.837 56.048 -0.199 0.000 1.202 96 H CB 2.254 31.820 29.762 -0.327 0.000 1.524 96 H HN 0.238 nan 8.280 nan 0.000 0.506 97 P HA -0.172 nan 4.420 nan 0.000 0.214 97 P C 1.091 177.969 177.300 -0.703 0.000 1.163 97 P CA 1.718 64.237 63.100 -0.968 0.000 0.889 97 P CB -0.082 30.510 31.700 -1.847 0.000 0.790 98 A N -0.289 122.298 122.820 -0.390 0.000 2.245 98 A HA -0.065 4.255 4.320 0.001 0.000 0.217 98 A C 2.219 179.965 177.584 0.270 0.000 1.171 98 A CA 1.773 53.964 52.037 0.257 0.000 0.688 98 A CB -1.632 17.694 19.000 0.544 0.000 0.781 98 A HN 0.405 nan 8.150 nan 0.000 0.479 99 G N -1.745 107.003 108.800 -0.088 0.000 3.159 99 G HA2 0.414 4.374 3.960 0.001 0.000 0.232 99 G HA3 0.414 4.374 3.960 0.001 0.000 0.232 99 G C -0.018 174.825 174.900 -0.094 0.000 1.116 99 G CA -0.265 44.742 45.100 -0.156 0.000 0.767 99 G HN 0.215 nan 8.290 nan 0.000 0.547 100 L N 2.538 123.598 121.223 -0.272 0.000 2.325 100 L HA 0.282 4.623 4.340 0.001 0.000 0.284 100 L C 0.501 177.311 176.870 -0.100 0.000 1.089 100 L CA -0.542 54.054 54.840 -0.408 0.000 0.836 100 L CB 0.508 42.031 42.059 -0.894 0.000 1.184 100 L HN 0.243 nan 8.230 nan 0.000 0.444 101 K N 3.613 124.088 120.400 0.124 0.000 2.276 101 K HA 0.266 4.586 4.320 0.001 0.000 0.285 101 K C -0.107 176.596 176.600 0.172 0.000 1.062 101 K CA -0.695 55.730 56.287 0.229 0.000 0.918 101 K CB 1.442 34.119 32.500 0.295 0.000 1.055 101 K HN 0.322 nan 8.250 nan 0.000 0.477 102 K N 3.571 124.122 120.400 0.252 0.000 2.368 102 K HA 0.042 4.363 4.320 0.001 0.000 0.282 102 K C -0.635 176.065 176.600 0.166 0.000 1.035 102 K CA -0.011 56.448 56.287 0.287 0.000 0.973 102 K CB 0.622 33.363 32.500 0.401 0.000 0.957 102 K HN 0.520 nan 8.250 nan 0.000 0.474 103 K N 3.751 124.237 120.400 0.144 0.000 2.207 103 K HA 0.081 4.401 4.320 0.001 0.000 0.255 103 K C 0.580 177.208 176.600 0.047 0.000 0.941 103 K CA -0.602 55.739 56.287 0.090 0.000 0.825 103 K CB 1.799 34.355 32.500 0.094 0.000 1.119 103 K HN 0.552 nan 8.250 nan 0.000 0.430 104 K N 0.796 121.212 120.400 0.028 0.000 2.117 104 K HA -0.200 4.120 4.320 0.001 0.000 0.215 104 K C 0.040 176.615 176.600 -0.042 0.000 1.053 104 K CA 1.689 57.977 56.287 0.002 0.000 0.935 104 K CB 0.098 32.603 32.500 0.009 0.000 0.719 104 K HN 0.515 nan 8.250 nan 0.000 0.460 105 S N -1.360 114.284 115.700 -0.094 0.000 2.588 105 S HA 0.572 5.042 4.470 0.001 0.000 0.275 105 S C -1.331 172.981 174.600 -0.479 0.000 1.130 105 S CA -0.549 57.473 58.200 -0.296 0.000 0.855 105 S CB 2.481 65.472 63.200 -0.348 0.000 1.116 105 S HN 0.210 nan 8.310 nan 0.000 0.472 106 V N -1.358 118.112 119.914 -0.741 0.000 3.147 106 V HA 0.949 5.069 4.120 0.001 0.000 0.299 106 V C -0.917 175.079 176.094 -0.162 0.000 1.302 106 V CA -0.572 61.520 62.300 -0.347 0.000 1.015 106 V CB 1.550 33.397 31.823 0.041 0.000 1.086 106 V HN 0.826 nan 8.190 nan 0.000 0.437 107 T N 1.186 115.529 114.554 -0.352 0.000 2.853 107 T HA 0.687 5.038 4.350 0.001 0.000 0.311 107 T C -1.304 172.934 174.700 -0.770 0.000 1.307 107 T CA -0.216 61.591 62.100 -0.489 0.000 1.019 107 T CB 1.959 70.790 68.868 -0.062 0.000 1.264 107 T HN 1.958 nan 8.240 nan 0.000 0.497 108 V N 4.009 123.525 119.914 -0.665 0.000 2.439 108 V HA 0.731 4.852 4.120 0.001 0.000 0.277 108 V C -1.143 174.935 176.094 -0.026 0.000 1.008 108 V CA -0.682 61.436 62.300 -0.302 0.000 0.846 108 V CB 0.158 31.776 31.823 -0.342 0.000 1.031 108 V HN 0.809 nan 8.190 nan 0.000 0.441 109 L N 2.594 123.825 121.223 0.012 0.000 2.322 109 L HA 0.940 5.281 4.340 0.001 0.000 0.269 109 L C -0.964 175.954 176.870 0.080 0.000 1.012 109 L CA -0.626 54.244 54.840 0.050 0.000 0.815 109 L CB 2.170 44.236 42.059 0.010 0.000 1.295 109 L HN 0.334 nan 8.230 nan 0.000 0.438 110 D N 0.803 121.243 120.400 0.067 0.000 2.457 110 D HA 0.518 5.159 4.640 0.001 0.000 0.240 110 D C -0.454 175.870 176.300 0.040 0.000 1.041 110 D CA -0.316 53.721 54.000 0.061 0.000 0.861 110 D CB 2.674 43.501 40.800 0.045 0.000 1.394 110 D HN 0.334 nan 8.370 nan 0.000 0.473 111 V N 0.882 120.825 119.914 0.049 0.000 2.686 111 V HA 0.491 4.612 4.120 0.001 0.000 0.295 111 V C 1.081 177.178 176.094 0.006 0.000 1.055 111 V CA -0.369 61.964 62.300 0.054 0.000 1.050 111 V CB 1.283 33.181 31.823 0.126 0.000 0.984 111 V HN 0.639 nan 8.190 nan 0.000 0.482 112 G N 2.000 110.807 108.800 0.011 0.000 2.325 112 G HA2 0.423 4.383 3.960 0.001 0.000 0.298 112 G HA3 0.423 4.383 3.960 0.001 0.000 0.298 112 G C -0.097 174.789 174.900 -0.024 0.000 1.134 112 G CA -0.213 44.875 45.100 -0.019 0.000 0.876 112 G HN 0.883 nan 8.290 nan 0.000 0.452 113 D N 0.781 121.124 120.400 -0.094 0.000 2.697 113 D HA -0.218 4.423 4.640 0.001 0.000 0.238 113 D C 1.462 177.730 176.300 -0.053 0.000 1.152 113 D CA 0.913 54.842 54.000 -0.117 0.000 0.666 113 D CB -0.889 39.902 40.800 -0.015 0.000 1.037 113 D HN 0.622 nan 8.370 nan 0.000 0.423 114 A N -0.405 122.335 122.820 -0.133 0.000 1.898 114 A HA -0.149 4.171 4.320 0.001 0.000 0.214 114 A C 1.839 179.498 177.584 0.125 0.000 1.183 114 A CA 0.796 52.838 52.037 0.009 0.000 0.622 114 A CB -0.353 18.573 19.000 -0.124 0.000 0.824 114 A HN 0.338 nan 8.150 nan 0.000 0.444 115 Y N -0.657 119.457 120.300 -0.310 0.000 2.139 115 Y HA -0.206 4.345 4.550 0.001 0.000 0.282 115 Y C 1.709 177.805 175.900 0.327 0.000 1.179 115 Y CA 0.864 58.935 58.100 -0.048 0.000 1.161 115 Y CB -0.793 37.581 38.460 -0.143 0.000 0.970 115 Y HN 0.360 nan 8.280 nan 0.000 0.511 116 F N -1.280 118.775 119.950 0.176 0.000 2.725 116 F HA 0.086 4.613 4.527 0.001 0.000 0.303 116 F C 1.760 177.642 175.800 0.137 0.000 1.167 116 F CA 0.032 58.122 58.000 0.149 0.000 1.403 116 F CB -0.709 38.360 39.000 0.115 0.000 1.077 116 F HN -0.115 nan 8.300 nan 0.000 0.537 117 S N -0.867 115.040 115.700 0.344 0.000 2.603 117 S HA 0.171 4.642 4.470 0.001 0.000 0.232 117 S C 0.342 175.082 174.600 0.232 0.000 1.016 117 S CA -0.115 58.238 58.200 0.255 0.000 0.976 117 S CB 0.635 63.978 63.200 0.239 0.000 0.921 117 S HN 0.037 nan 8.310 nan 0.000 0.516 118 V N 1.296 121.361 119.914 0.252 0.000 2.555 118 V HA 0.701 4.822 4.120 0.001 0.000 0.302 118 V C -3.083 173.095 176.094 0.140 0.000 1.038 118 V CA -2.804 59.603 62.300 0.179 0.000 0.887 118 V CB 1.853 33.774 31.823 0.163 0.000 0.991 118 V HN -0.114 nan 8.190 nan 0.000 0.434 119 P HA 0.205 nan 4.420 nan 0.000 0.271 119 P C -0.748 176.594 177.300 0.070 0.000 1.218 119 P CA -0.220 62.931 63.100 0.085 0.000 0.780 119 P CB 1.302 33.047 31.700 0.076 0.000 0.901 120 L N 2.498 123.759 121.223 0.063 0.000 2.334 120 L HA 0.350 4.690 4.340 0.001 0.000 0.277 120 L C 0.173 177.076 176.870 0.056 0.000 1.075 120 L CA -0.471 54.393 54.840 0.039 0.000 0.804 120 L CB 0.063 42.133 42.059 0.017 0.000 1.174 120 L HN 0.300 nan 8.230 nan 0.000 0.438 121 D N 2.225 122.655 120.400 0.051 0.000 2.583 121 D HA -0.092 4.548 4.640 0.001 0.000 0.232 121 D C 0.940 177.311 176.300 0.120 0.000 1.128 121 D CA 0.683 54.734 54.000 0.085 0.000 0.859 121 D CB 0.776 41.634 40.800 0.096 0.000 1.169 121 D HN 0.595 nan 8.370 nan 0.000 0.481 122 E N 2.272 122.529 120.200 0.096 0.000 2.158 122 E HA -0.146 4.205 4.350 0.001 0.000 0.191 122 E C 0.664 177.314 176.600 0.083 0.000 0.982 122 E CA 0.512 56.961 56.400 0.080 0.000 0.823 122 E CB 0.131 29.862 29.700 0.052 0.000 0.766 122 E HN 0.556 nan 8.360 nan 0.000 0.468 123 D N -0.925 119.542 120.400 0.111 0.000 2.403 123 D HA -0.101 4.540 4.640 0.001 0.000 0.227 123 D C 0.728 177.136 176.300 0.180 0.000 0.995 123 D CA 0.381 54.448 54.000 0.112 0.000 0.928 123 D CB -0.110 40.771 40.800 0.135 0.000 0.887 123 D HN 0.176 nan 8.370 nan 0.000 0.529 124 F N -1.065 118.905 119.950 0.034 0.000 2.880 124 F HA 0.267 4.795 4.527 0.001 0.000 0.346 124 F C 1.722 177.532 175.800 0.017 0.000 1.054 124 F CA -0.340 57.745 58.000 0.143 0.000 1.151 124 F CB 0.424 39.503 39.000 0.133 0.000 1.066 124 F HN -0.283 nan 8.300 nan 0.000 0.566 125 R N 1.378 121.947 120.500 0.116 0.000 2.081 125 R HA -0.168 4.172 4.340 0.001 0.000 0.235 125 R C 2.043 178.326 176.300 -0.029 0.000 1.131 125 R CA 2.075 58.219 56.100 0.074 0.000 0.960 125 R CB -0.410 29.934 30.300 0.074 0.000 0.856 125 R HN 0.357 nan 8.270 nan 0.000 0.436 126 K N 0.020 120.321 120.400 -0.165 0.000 2.089 126 K HA -0.232 4.089 4.320 0.001 0.000 0.210 126 K C 1.670 178.192 176.600 -0.129 0.000 1.048 126 K CA 2.025 58.212 56.287 -0.167 0.000 0.926 126 K CB -0.716 31.634 32.500 -0.250 0.000 0.714 126 K HN 0.216 nan 8.250 nan 0.000 0.448 127 Y N 2.359 122.484 120.300 -0.292 0.000 2.333 127 Y HA -0.118 4.433 4.550 0.001 0.000 0.290 127 Y C 2.369 178.185 175.900 -0.140 0.000 1.144 127 Y CA 1.314 59.130 58.100 -0.474 0.000 1.228 127 Y CB -0.925 36.986 38.460 -0.916 0.000 0.985 127 Y HN 0.322 nan 8.280 nan 0.000 0.542 128 T N -1.777 112.858 114.554 0.135 0.000 3.324 128 T HA 0.483 4.833 4.350 0.001 0.000 0.250 128 T C 0.583 175.595 174.700 0.520 0.000 1.059 128 T CA -0.079 62.286 62.100 0.442 0.000 0.951 128 T CB -0.847 68.263 68.868 0.405 0.000 1.030 128 T HN 0.230 nan 8.240 nan 0.000 0.576 129 A N 1.973 124.982 122.820 0.315 0.000 2.404 129 A HA 0.585 4.906 4.320 0.001 0.000 0.273 129 A C -0.088 177.649 177.584 0.255 0.000 1.144 129 A CA -0.814 51.352 52.037 0.216 0.000 0.806 129 A CB -0.525 18.551 19.000 0.127 0.000 1.080 129 A HN 0.727 nan 8.150 nan 0.000 0.509 130 F N 0.762 120.772 119.950 0.100 0.000 2.598 130 F HA 0.877 5.404 4.527 0.001 0.000 0.327 130 F C -0.012 175.810 175.800 0.037 0.000 1.057 130 F CA -0.591 57.439 58.000 0.051 0.000 0.957 130 F CB 1.869 40.887 39.000 0.031 0.000 1.278 130 F HN 0.473 nan 8.300 nan 0.000 0.484 131 T N 0.575 115.202 114.554 0.120 0.000 3.031 131 T HA 0.574 4.924 4.350 0.001 0.000 0.305 131 T C -0.659 174.094 174.700 0.088 0.000 0.985 131 T CA -0.629 61.453 62.100 -0.030 0.000 1.008 131 T CB 0.457 69.286 68.868 -0.065 0.000 1.005 131 T HN 0.800 nan 8.240 nan 0.000 0.444 132 I N 4.592 125.214 120.570 0.086 0.000 2.892 132 I HA 0.158 4.329 4.170 0.001 0.000 0.287 132 I C -1.132 175.015 176.117 0.050 0.000 1.205 132 I CA -1.993 59.375 61.300 0.113 0.000 1.409 132 I CB 0.659 38.731 38.000 0.120 0.000 1.367 132 I HN 0.465 nan 8.210 nan 0.000 0.597 133 P HA -0.060 nan 4.420 nan 0.000 0.205 133 P C -0.308 177.000 177.300 0.014 0.000 1.193 133 P CA 1.069 64.189 63.100 0.034 0.000 0.929 133 P CB 0.268 31.993 31.700 0.042 0.000 0.772 134 S N -3.210 112.501 115.700 0.018 0.000 2.567 134 S HA 0.286 4.757 4.470 0.001 0.000 0.270 134 S C 0.826 175.434 174.600 0.013 0.000 1.152 134 S CA -0.588 57.615 58.200 0.006 0.000 0.835 134 S CB 0.568 63.769 63.200 0.001 0.000 1.115 134 S HN -0.054 nan 8.310 nan 0.000 0.459 135 I N 1.638 122.212 120.570 0.006 0.000 2.286 135 I HA -0.130 4.041 4.170 0.001 0.000 0.248 135 I C 0.686 176.810 176.117 0.012 0.000 1.115 135 I CA 1.196 62.503 61.300 0.012 0.000 1.392 135 I CB -0.196 37.807 38.000 0.005 0.000 1.065 135 I HN 0.627 nan 8.210 nan 0.000 0.418 136 N N 0.417 119.122 118.700 0.007 0.000 2.653 136 N HA 0.184 4.924 4.740 0.001 0.000 0.261 136 N C -0.997 174.517 175.510 0.006 0.000 1.216 136 N CA -0.641 52.413 53.050 0.007 0.000 0.784 136 N CB 0.640 39.130 38.487 0.005 0.000 1.327 136 N HN -0.055 nan 8.380 nan 0.000 0.539 137 N N 1.279 119.984 118.700 0.009 0.000 2.689 137 N HA -0.237 4.504 4.740 0.001 0.000 0.263 137 N C 0.118 175.630 175.510 0.003 0.000 0.987 137 N CA 1.463 54.517 53.050 0.008 0.000 0.782 137 N CB -0.358 38.134 38.487 0.008 0.000 0.903 137 N HN 0.910 nan 8.380 nan 0.000 0.547 138 E N -2.590 117.610 120.200 0.001 0.000 1.555 138 E HA -0.070 4.281 4.350 0.001 0.000 0.232 138 E C -0.562 176.034 176.600 -0.008 0.000 1.063 138 E CA 0.983 57.381 56.400 -0.002 0.000 1.393 138 E CB -0.681 29.018 29.700 -0.003 0.000 4.318 138 E HN 0.349 nan 8.360 nan 0.000 0.821 139 T N 1.791 116.339 114.554 -0.011 0.000 2.902 139 T HA 0.044 4.394 4.350 0.001 0.000 0.317 139 T C -2.262 172.424 174.700 -0.024 0.000 1.064 139 T CA -0.309 61.781 62.100 -0.017 0.000 1.130 139 T CB 0.044 68.900 68.868 -0.019 0.000 1.073 139 T HN 0.055 nan 8.240 nan 0.000 0.524 140 P HA 0.199 nan 4.420 nan 0.000 0.262 140 P C 0.742 178.010 177.300 -0.053 0.000 1.199 140 P CA 0.032 63.109 63.100 -0.039 0.000 0.763 140 P CB 0.174 31.848 31.700 -0.042 0.000 0.790 141 G N 3.420 112.186 108.800 -0.056 0.000 2.510 141 G HA2 0.403 4.363 3.960 0.001 0.000 0.280 141 G HA3 0.403 4.363 3.960 0.001 0.000 0.280 141 G C -0.363 174.462 174.900 -0.124 0.000 1.386 141 G CA -0.795 44.264 45.100 -0.069 0.000 1.047 141 G HN 0.541 nan 8.290 nan 0.000 0.527 142 I N -1.010 119.462 120.570 -0.164 0.000 2.664 142 I HA 0.573 4.743 4.170 0.001 0.000 0.308 142 I C -0.250 175.612 176.117 -0.425 0.000 0.984 142 I CA -1.013 60.096 61.300 -0.318 0.000 1.213 142 I CB 1.087 38.861 38.000 -0.377 0.000 1.379 142 I HN 0.340 nan 8.210 nan 0.000 0.501 143 R N 5.624 125.748 120.500 -0.627 0.000 2.569 143 R HA 0.338 4.679 4.340 0.001 0.000 0.293 143 R C -1.914 173.975 176.300 -0.686 0.000 1.186 143 R CA -0.620 55.144 56.100 -0.560 0.000 0.956 143 R CB 1.320 31.429 30.300 -0.318 0.000 1.196 143 R HN 0.446 nan 8.270 nan 0.000 0.444 144 Y N 0.790 120.693 120.300 -0.662 0.000 2.496 144 Y HA 0.363 4.914 4.550 0.001 0.000 0.331 144 Y C 0.737 176.319 175.900 -0.529 0.000 1.140 144 Y CA -0.857 56.871 58.100 -0.620 0.000 1.166 144 Y CB 1.505 39.523 38.460 -0.738 0.000 1.249 144 Y HN 0.314 nan 8.280 nan 0.000 0.479 145 Q N -0.110 119.645 119.800 -0.075 0.000 2.194 145 Q HA 0.435 4.776 4.340 0.001 0.000 0.245 145 Q C -1.573 174.465 176.000 0.063 0.000 0.993 145 Q CA -1.023 54.812 55.803 0.053 0.000 0.930 145 Q CB 1.385 30.158 28.738 0.059 0.000 1.238 145 Q HN 0.578 nan 8.270 nan 0.000 0.486 146 Y N 0.487 120.885 120.300 0.162 0.000 2.352 146 Y HA 0.223 4.773 4.550 0.001 0.000 0.326 146 Y C 0.610 176.524 175.900 0.024 0.000 1.166 146 Y CA -0.244 57.909 58.100 0.089 0.000 1.182 146 Y CB 1.142 39.649 38.460 0.078 0.000 1.216 146 Y HN 0.590 nan 8.280 nan 0.000 0.474 147 N N 0.993 119.784 118.700 0.152 0.000 2.171 147 N HA 0.119 4.859 4.740 0.001 0.000 0.212 147 N C -0.771 174.796 175.510 0.096 0.000 1.184 147 N CA 0.330 53.436 53.050 0.093 0.000 0.888 147 N CB 0.926 39.441 38.487 0.047 0.000 1.038 147 N HN 0.356 nan 8.380 nan 0.000 0.517 148 V N -2.819 117.171 119.914 0.127 0.000 3.158 148 V HA 0.533 4.653 4.120 0.001 0.000 0.311 148 V C 0.121 176.254 176.094 0.065 0.000 1.181 148 V CA -1.183 61.179 62.300 0.103 0.000 1.054 148 V CB 1.680 33.559 31.823 0.094 0.000 1.085 148 V HN -0.168 nan 8.190 nan 0.000 0.446 149 L N 2.689 123.972 121.223 0.101 0.000 2.562 149 L HA 0.290 4.630 4.340 0.001 0.000 0.271 149 L C -2.079 174.811 176.870 0.033 0.000 1.167 149 L CA -0.967 53.900 54.840 0.044 0.000 0.917 149 L CB 0.630 42.696 42.059 0.012 0.000 1.187 149 L HN 0.535 nan 8.230 nan 0.000 0.482 150 P HA -0.017 nan 4.420 nan 0.000 0.273 150 P C -0.105 177.272 177.300 0.127 0.000 1.250 150 P CA -0.348 62.498 63.100 -0.424 0.000 0.793 150 P CB 0.552 31.712 31.700 -0.901 0.000 1.011 151 Q N 0.022 119.987 119.800 0.275 0.000 2.403 151 Q HA 0.202 4.542 4.340 0.001 0.000 0.203 151 Q C 0.796 176.958 176.000 0.270 0.000 0.932 151 Q CA 0.866 56.874 55.803 0.342 0.000 0.945 151 Q CB -0.604 28.295 28.738 0.267 0.000 1.045 151 Q HN 0.638 nan 8.270 nan 0.000 0.511 152 G N -0.938 108.021 108.800 0.265 0.000 5.103 152 G HA2 0.029 3.990 3.960 0.001 0.000 0.233 152 G HA3 0.029 3.990 3.960 0.001 0.000 0.233 152 G C -1.254 173.804 174.900 0.263 0.000 0.910 152 G CA -0.667 44.596 45.100 0.270 0.000 0.763 152 G HN 0.210 nan 8.290 nan 0.000 0.290 153 W N 2.813 124.012 121.300 -0.168 0.000 2.313 153 W HA 0.463 5.123 4.660 0.001 0.000 0.328 153 W C 1.477 177.912 176.519 -0.140 0.000 1.197 153 W CA -1.133 56.048 57.345 -0.272 0.000 1.235 153 W CB 1.327 30.415 29.460 -0.619 0.000 1.158 153 W HN 0.080 nan 8.180 nan 0.000 0.578 154 K N 2.775 122.835 120.400 -0.565 0.000 2.439 154 K HA 0.023 4.344 4.320 0.001 0.000 0.197 154 K C 1.523 177.612 176.600 -0.850 0.000 1.041 154 K CA 1.368 57.349 56.287 -0.509 0.000 0.970 154 K CB -0.347 31.997 32.500 -0.259 0.000 0.773 154 K HN 0.650 nan 8.250 nan 0.000 0.479 155 G N 0.887 108.584 108.800 -1.839 0.000 2.421 155 G HA2 -0.174 3.787 3.960 0.001 0.000 0.217 155 G HA3 -0.174 3.787 3.960 0.001 0.000 0.217 155 G C 1.357 175.537 174.900 -1.200 0.000 1.143 155 G CA 0.443 44.330 45.100 -2.022 0.000 0.784 155 G HN 0.309 nan 8.290 nan 0.000 0.541 156 S N 1.706 116.934 115.700 -0.786 0.000 2.354 156 S HA -0.089 4.382 4.470 0.001 0.000 0.219 156 S C 0.241 174.453 174.600 -0.646 0.000 1.035 156 S CA 1.744 59.556 58.200 -0.646 0.000 1.037 156 S CB -0.818 61.871 63.200 -0.852 0.000 0.956 156 S HN 0.268 nan 8.310 nan 0.000 0.428 157 P HA -0.133 nan 4.420 nan 0.000 0.213 157 P C 1.553 178.718 177.300 -0.225 0.000 1.176 157 P CA 1.765 64.736 63.100 -0.215 0.000 0.919 157 P CB -0.253 31.358 31.700 -0.148 0.000 0.791 158 A N -0.753 121.847 122.820 -0.367 0.000 1.873 158 A HA -0.244 4.077 4.320 0.001 0.000 0.218 158 A C 2.330 179.700 177.584 -0.356 0.000 1.193 158 A CA 2.053 53.867 52.037 -0.372 0.000 0.629 158 A CB -1.800 16.887 19.000 -0.522 0.000 0.826 158 A HN 0.114 nan 8.150 nan 0.000 0.447 159 I N -2.130 118.154 120.570 -0.478 0.000 2.179 159 I HA -0.242 3.929 4.170 0.001 0.000 0.242 159 I C 2.388 178.376 176.117 -0.216 0.000 1.088 159 I CA 1.822 62.913 61.300 -0.347 0.000 1.357 159 I CB -0.373 37.424 38.000 -0.339 0.000 1.051 159 I HN 0.492 nan 8.210 nan 0.000 0.409 160 F N 1.775 121.562 119.950 -0.271 0.000 2.069 160 F HA -0.320 4.208 4.527 0.001 0.000 0.298 160 F C 2.653 178.381 175.800 -0.119 0.000 1.113 160 F CA 1.896 59.801 58.000 -0.158 0.000 1.214 160 F CB -0.381 38.554 39.000 -0.108 0.000 0.978 160 F HN 0.044 nan 8.300 nan 0.000 0.474 161 Q N -0.267 119.473 119.800 -0.100 0.000 2.045 161 Q HA -0.283 4.057 4.340 0.001 0.000 0.206 161 Q C 2.471 178.322 176.000 -0.248 0.000 0.991 161 Q CA 2.260 57.966 55.803 -0.161 0.000 0.851 161 Q CB -0.757 27.930 28.738 -0.085 0.000 0.911 161 Q HN 0.500 nan 8.270 nan 0.000 0.418 162 S N 0.075 115.647 115.700 -0.214 0.000 2.369 162 S HA -0.256 4.214 4.470 0.001 0.000 0.225 162 S C 2.073 176.526 174.600 -0.245 0.000 1.043 162 S CA 1.902 59.988 58.200 -0.190 0.000 1.074 162 S CB -0.373 62.731 63.200 -0.160 0.000 0.962 162 S HN 0.392 nan 8.310 nan 0.000 0.433 163 S N 1.186 116.699 115.700 -0.310 0.000 2.365 163 S HA -0.175 4.295 4.470 0.001 0.000 0.225 163 S C 1.812 176.165 174.600 -0.412 0.000 1.039 163 S CA 1.786 59.782 58.200 -0.341 0.000 1.033 163 S CB -0.607 62.387 63.200 -0.343 0.000 0.887 163 S HN 0.575 nan 8.310 nan 0.000 0.447 164 M N 2.112 121.361 119.600 -0.586 0.000 2.180 164 M HA -0.160 4.321 4.480 0.001 0.000 0.260 164 M C 2.081 178.219 176.300 -0.269 0.000 1.071 164 M CA 2.014 57.033 55.300 -0.468 0.000 1.096 164 M CB -1.722 30.581 32.600 -0.495 0.000 1.276 164 M HN 0.254 nan 8.290 nan 0.000 0.426 165 T N 0.439 114.863 114.554 -0.216 0.000 2.602 165 T HA -0.314 4.037 4.350 0.001 0.000 0.264 165 T C 1.791 176.395 174.700 -0.159 0.000 1.085 165 T CA 2.423 64.434 62.100 -0.148 0.000 1.164 165 T CB -0.541 68.252 68.868 -0.125 0.000 0.860 165 T HN 0.492 nan 8.240 nan 0.000 0.442 166 K N 0.229 120.511 120.400 -0.197 0.000 2.442 166 K HA 0.038 4.359 4.320 0.001 0.000 0.198 166 K C 1.852 178.282 176.600 -0.284 0.000 1.044 166 K CA 0.809 56.974 56.287 -0.203 0.000 0.948 166 K CB -0.113 32.264 32.500 -0.204 0.000 0.762 166 K HN 0.439 nan 8.250 nan 0.000 0.472 167 I N -0.378 120.000 120.570 -0.321 0.000 2.899 167 I HA -0.116 4.054 4.170 0.001 0.000 0.257 167 I C 1.515 177.542 176.117 -0.151 0.000 1.115 167 I CA 0.145 61.176 61.300 -0.447 0.000 1.451 167 I CB 0.021 37.722 38.000 -0.499 0.000 1.251 167 I HN 0.014 nan 8.210 nan 0.000 0.456 168 L N 1.570 122.738 121.223 -0.090 0.000 2.651 168 L HA -0.177 4.163 4.340 0.001 0.000 0.236 168 L C 2.324 179.193 176.870 -0.002 0.000 1.173 168 L CA 0.747 55.574 54.840 -0.022 0.000 0.843 168 L CB -0.526 41.519 42.059 -0.025 0.000 0.964 168 L HN 0.400 nan 8.230 nan 0.000 0.454 169 E N 1.280 121.462 120.200 -0.030 0.000 2.006 169 E HA -0.188 4.162 4.350 0.001 0.000 0.192 169 E C -0.614 175.996 176.600 0.017 0.000 0.993 169 E CA 1.042 57.432 56.400 -0.016 0.000 0.808 169 E CB -0.596 29.077 29.700 -0.044 0.000 0.764 169 E HN 0.284 nan 8.360 nan 0.000 0.449 170 P HA -0.111 nan 4.420 nan 0.000 0.223 170 P C 0.871 178.175 177.300 0.007 0.000 1.144 170 P CA 0.905 64.042 63.100 0.062 0.000 0.783 170 P CB -0.194 31.620 31.700 0.190 0.000 0.771 171 F N 0.140 119.944 119.950 -0.243 0.000 2.234 171 F HA 0.036 4.564 4.527 0.001 0.000 0.296 171 F C 2.001 177.734 175.800 -0.111 0.000 1.089 171 F CA 0.997 58.850 58.000 -0.245 0.000 1.343 171 F CB -0.028 38.765 39.000 -0.345 0.000 1.040 171 F HN -0.300 nan 8.300 nan 0.000 0.498 172 R N 0.306 120.850 120.500 0.074 0.000 2.323 172 R HA -0.036 4.305 4.340 0.001 0.000 0.198 172 R C 1.625 177.909 176.300 -0.027 0.000 0.988 172 R CA 1.107 57.225 56.100 0.030 0.000 1.041 172 R CB -0.024 30.308 30.300 0.054 0.000 0.926 172 R HN 0.410 nan 8.270 nan 0.000 0.476 173 K N -1.642 118.730 120.400 -0.047 0.000 2.380 173 K HA 0.029 4.350 4.320 0.001 0.000 0.200 173 K C 1.783 178.335 176.600 -0.080 0.000 1.201 173 K CA -0.135 56.123 56.287 -0.048 0.000 0.916 173 K CB -0.045 32.443 32.500 -0.019 0.000 1.187 173 K HN -0.184 nan 8.250 nan 0.000 0.498 174 Q N 2.020 121.760 119.800 -0.100 0.000 2.297 174 Q HA -0.081 4.259 4.340 0.001 0.000 0.208 174 Q C -0.686 175.181 176.000 -0.221 0.000 0.981 174 Q CA 1.450 57.175 55.803 -0.130 0.000 0.876 174 Q CB -0.086 28.579 28.738 -0.122 0.000 0.921 174 Q HN 0.418 nan 8.270 nan 0.000 0.446 175 N N -0.317 118.206 118.700 -0.295 0.000 2.609 175 N HA 0.220 4.961 4.740 0.001 0.000 0.268 175 N C -2.613 172.803 175.510 -0.158 0.000 1.106 175 N CA -1.315 51.567 53.050 -0.279 0.000 0.823 175 N CB 1.974 40.157 38.487 -0.506 0.000 1.263 175 N HN -0.066 nan 8.380 nan 0.000 0.533 176 P HA -0.015 nan 4.420 nan 0.000 0.244 176 P C -0.529 176.765 177.300 -0.011 0.000 1.211 176 P CA 1.009 64.087 63.100 -0.037 0.000 0.760 176 P CB 0.227 31.912 31.700 -0.025 0.000 0.961 177 D N -3.973 116.417 120.400 -0.017 0.000 2.411 177 D HA 0.035 4.675 4.640 0.001 0.000 0.374 177 D C 0.197 176.518 176.300 0.036 0.000 1.187 177 D CA -0.099 53.910 54.000 0.015 0.000 0.928 177 D CB -0.695 40.108 40.800 0.004 0.000 1.402 177 D HN 0.069 nan 8.370 nan 0.000 0.478 178 I N 1.664 122.244 120.570 0.018 0.000 2.395 178 I HA 0.372 4.543 4.170 0.001 0.000 0.289 178 I C -0.206 175.996 176.117 0.142 0.000 1.023 178 I CA -1.145 60.203 61.300 0.080 0.000 1.350 178 I CB 1.783 39.819 38.000 0.059 0.000 1.409 178 I HN -0.252 nan 8.210 nan 0.000 0.507 179 V N 7.641 127.669 119.914 0.191 0.000 2.370 179 V HA 0.403 4.523 4.120 0.001 0.000 0.279 179 V C 0.042 176.334 176.094 0.330 0.000 1.029 179 V CA -0.382 62.068 62.300 0.251 0.000 0.870 179 V CB 1.442 33.440 31.823 0.292 0.000 0.984 179 V HN 0.484 nan 8.190 nan 0.000 0.451 180 I N 5.229 125.984 120.570 0.309 0.000 2.390 180 I HA 0.353 4.524 4.170 0.001 0.000 0.283 180 I C -1.023 175.291 176.117 0.327 0.000 1.016 180 I CA -0.550 60.941 61.300 0.318 0.000 1.151 180 I CB 1.181 39.306 38.000 0.209 0.000 1.293 180 I HN 0.463 nan 8.210 nan 0.000 0.458 181 Y N 5.394 125.848 120.300 0.256 0.000 2.436 181 Y HA 0.198 4.748 4.550 0.001 0.000 0.343 181 Y C 0.555 176.626 175.900 0.285 0.000 1.008 181 Y CA -0.180 58.059 58.100 0.232 0.000 1.241 181 Y CB 0.740 39.309 38.460 0.182 0.000 1.153 181 Y HN 0.481 nan 8.280 nan 0.000 0.521 182 Q N 5.100 125.028 119.800 0.212 0.000 2.394 182 Q HA 0.236 4.576 4.340 0.001 0.000 0.259 182 Q C -2.076 174.057 176.000 0.222 0.000 1.021 182 Q CA -0.788 55.131 55.803 0.194 0.000 0.805 182 Q CB 0.668 29.458 28.738 0.086 0.000 1.226 182 Q HN 0.716 nan 8.270 nan 0.000 0.476 183 Y N 6.479 126.836 120.300 0.095 0.000 2.376 183 Y HA 0.289 4.840 4.550 0.001 0.000 0.326 183 Y C 0.329 176.252 175.900 0.039 0.000 0.970 183 Y CA -0.424 57.690 58.100 0.023 0.000 1.248 183 Y CB 0.822 39.246 38.460 -0.060 0.000 1.117 183 Y HN 1.051 nan 8.280 nan 0.000 0.476 184 M N 2.534 122.006 119.600 -0.213 0.000 7.319 184 M HA -0.365 4.115 4.480 0.001 0.000 0.285 184 M C 0.210 176.632 176.300 0.204 0.000 0.480 184 M CA 2.857 58.108 55.300 -0.082 0.000 1.311 184 M CB -1.146 31.276 32.600 -0.297 0.000 0.421 184 M HN 0.703 nan 8.290 nan 0.000 0.458 185 D N -0.280 120.141 120.400 0.035 0.000 2.462 185 D HA 0.418 5.058 4.640 0.001 0.000 0.221 185 D C -0.452 175.899 176.300 0.085 0.000 1.173 185 D CA 0.217 54.266 54.000 0.082 0.000 0.831 185 D CB -0.149 40.534 40.800 -0.195 0.000 1.001 185 D HN 0.536 nan 8.370 nan 0.000 0.499 186 D N 0.136 120.607 120.400 0.119 0.000 2.350 186 D HA 0.497 5.138 4.640 0.001 0.000 0.245 186 D C -0.988 175.453 176.300 0.235 0.000 1.036 186 D CA -0.601 53.493 54.000 0.157 0.000 0.848 186 D CB 1.428 42.319 40.800 0.151 0.000 1.307 186 D HN 0.017 nan 8.370 nan 0.000 0.469 187 L N 2.917 124.284 121.223 0.240 0.000 2.370 187 L HA 0.508 4.849 4.340 0.001 0.000 0.266 187 L C -1.216 175.846 176.870 0.319 0.000 1.002 187 L CA -1.306 53.695 54.840 0.269 0.000 0.818 187 L CB 2.091 44.240 42.059 0.149 0.000 1.325 187 L HN 0.492 nan 8.230 nan 0.000 0.418 188 Y N 1.962 122.363 120.300 0.169 0.000 2.425 188 Y HA 0.721 5.271 4.550 0.001 0.000 0.344 188 Y C -1.376 174.527 175.900 0.004 0.000 0.969 188 Y CA -0.833 57.240 58.100 -0.045 0.000 1.052 188 Y CB 1.890 40.156 38.460 -0.324 0.000 1.215 188 Y HN 0.232 nan 8.280 nan 0.000 0.451 189 V N 4.910 124.593 119.914 -0.385 0.000 2.555 189 V HA 0.816 4.936 4.120 0.001 0.000 0.302 189 V C -0.027 175.910 176.094 -0.262 0.000 1.038 189 V CA -0.431 61.784 62.300 -0.141 0.000 0.887 189 V CB 1.550 33.364 31.823 -0.015 0.000 0.991 189 V HN 1.001 nan 8.190 nan 0.000 0.434 190 G N 2.080 110.904 108.800 0.039 0.000 2.666 190 G HA2 0.668 4.628 3.960 0.001 0.000 0.303 190 G HA3 0.668 4.628 3.960 0.001 0.000 0.303 190 G C -0.694 174.293 174.900 0.145 0.000 1.412 190 G CA -0.397 44.745 45.100 0.071 0.000 0.979 190 G HN 0.912 nan 8.290 nan 0.000 0.507 191 S N 0.774 116.548 115.700 0.124 0.000 2.538 191 S HA 0.438 4.909 4.470 0.001 0.000 0.288 191 S C -0.553 174.098 174.600 0.085 0.000 1.108 191 S CA -0.834 57.458 58.200 0.154 0.000 0.971 191 S CB 2.559 65.957 63.200 0.330 0.000 1.041 191 S HN 0.318 nan 8.310 nan 0.000 0.483 192 D N 1.271 121.715 120.400 0.075 0.000 2.323 192 D HA 0.254 4.894 4.640 0.001 0.000 0.239 192 D C -0.261 176.068 176.300 0.048 0.000 1.129 192 D CA 0.367 54.398 54.000 0.052 0.000 0.865 192 D CB -0.256 40.570 40.800 0.043 0.000 0.913 192 D HN 0.395 nan 8.370 nan 0.000 0.517 193 L N 0.561 121.823 121.223 0.066 0.000 2.330 193 L HA 0.296 4.636 4.340 0.001 0.000 0.271 193 L C 0.387 177.296 176.870 0.064 0.000 1.013 193 L CA -1.194 53.687 54.840 0.068 0.000 0.816 193 L CB 1.167 43.280 42.059 0.090 0.000 1.287 193 L HN -0.195 nan 8.230 nan 0.000 0.435 194 E N 0.768 121.000 120.200 0.053 0.000 2.383 194 E HA 0.105 4.455 4.350 0.001 0.000 0.264 194 E C 1.087 177.729 176.600 0.069 0.000 1.050 194 E CA -0.095 56.331 56.400 0.044 0.000 0.896 194 E CB 0.482 30.202 29.700 0.034 0.000 0.982 194 E HN 0.585 nan 8.360 nan 0.000 0.424 195 I N 1.947 122.548 120.570 0.053 0.000 2.191 195 I HA -0.315 3.855 4.170 0.001 0.000 0.248 195 I C 1.583 177.779 176.117 0.133 0.000 1.061 195 I CA 2.498 63.846 61.300 0.080 0.000 1.329 195 I CB -0.243 37.790 38.000 0.055 0.000 1.024 195 I HN 0.774 nan 8.210 nan 0.000 0.423 196 G N -1.086 107.769 108.800 0.092 0.000 2.985 196 G HA2 -0.084 3.877 3.960 0.001 0.000 0.209 196 G HA3 -0.084 3.877 3.960 0.001 0.000 0.209 196 G C 1.345 176.291 174.900 0.076 0.000 1.165 196 G CA 0.238 45.386 45.100 0.081 0.000 0.776 196 G HN 0.531 nan 8.290 nan 0.000 0.541 197 Q N -0.918 118.936 119.800 0.090 0.000 2.392 197 Q HA 0.069 4.410 4.340 0.001 0.000 0.219 197 Q C 1.896 177.956 176.000 0.099 0.000 0.895 197 Q CA 0.137 55.986 55.803 0.076 0.000 0.929 197 Q CB 0.153 28.929 28.738 0.063 0.000 1.077 197 Q HN 0.680 nan 8.270 nan 0.000 0.532 198 H N 0.202 119.296 119.070 0.039 0.000 2.284 198 H HA 0.005 4.562 4.556 0.001 0.000 0.304 198 H C 1.928 177.284 175.328 0.048 0.000 1.069 198 H CA 1.521 57.596 56.048 0.044 0.000 1.327 198 H CB 0.260 30.045 29.762 0.039 0.000 1.387 198 H HN -0.035 nan 8.280 nan 0.000 0.498 199 R N -0.204 120.373 120.500 0.127 0.000 2.159 199 R HA -0.123 4.217 4.340 0.001 0.000 0.252 199 R C 1.810 178.098 176.300 -0.020 0.000 1.144 199 R CA 1.962 58.094 56.100 0.054 0.000 0.961 199 R CB -1.214 29.146 30.300 0.101 0.000 0.877 199 R HN 0.471 nan 8.270 nan 0.000 0.444 200 T N -0.039 114.518 114.554 0.006 0.000 3.122 200 T HA 0.086 4.436 4.350 0.001 0.000 0.250 200 T C 1.451 176.156 174.700 0.009 0.000 1.067 200 T CA 0.325 62.431 62.100 0.011 0.000 0.966 200 T CB 0.380 69.265 68.868 0.028 0.000 1.002 200 T HN 0.045 nan 8.240 nan 0.000 0.542 201 K N 1.315 121.700 120.400 -0.025 0.000 2.214 201 K HA 0.294 4.614 4.320 0.001 0.000 0.201 201 K C 1.854 178.465 176.600 0.019 0.000 1.049 201 K CA 0.226 56.523 56.287 0.016 0.000 0.978 201 K CB -0.225 32.278 32.500 0.005 0.000 0.842 201 K HN 0.035 nan 8.250 nan 0.000 0.474 202 I N 2.103 122.572 120.570 -0.170 0.000 2.399 202 I HA -0.250 3.921 4.170 0.001 0.000 0.254 202 I C 1.629 177.700 176.117 -0.077 0.000 1.146 202 I CA 1.415 62.608 61.300 -0.179 0.000 1.412 202 I CB -0.738 37.086 38.000 -0.293 0.000 1.076 202 I HN 0.299 nan 8.210 nan 0.000 0.432 203 E N 0.496 120.677 120.200 -0.032 0.000 2.016 203 E HA -0.194 4.157 4.350 0.001 0.000 0.190 203 E C 2.002 178.622 176.600 0.033 0.000 0.985 203 E CA 0.777 57.177 56.400 0.000 0.000 0.802 203 E CB -0.387 29.321 29.700 0.013 0.000 0.762 203 E HN 0.448 nan 8.360 nan 0.000 0.448 204 E N 0.626 120.876 120.200 0.084 0.000 2.284 204 E HA -0.195 4.156 4.350 0.001 0.000 0.200 204 E C 2.035 178.742 176.600 0.177 0.000 1.008 204 E CA 0.516 57.010 56.400 0.157 0.000 0.829 204 E CB -0.004 29.822 29.700 0.210 0.000 0.744 204 E HN 0.147 nan 8.360 nan 0.000 0.491 205 L N 0.227 121.465 121.223 0.025 0.000 2.022 205 L HA -0.114 4.226 4.340 0.001 0.000 0.204 205 L C 2.548 179.319 176.870 -0.166 0.000 1.076 205 L CA 1.032 55.632 54.840 -0.402 0.000 0.749 205 L CB -0.337 41.325 42.059 -0.661 0.000 0.903 205 L HN 0.111 nan 8.230 nan 0.000 0.439 206 R N -0.308 120.134 120.500 -0.097 0.000 2.113 206 R HA -0.291 4.050 4.340 0.001 0.000 0.244 206 R C 2.148 178.454 176.300 0.010 0.000 1.142 206 R CA 2.039 58.118 56.100 -0.035 0.000 0.953 206 R CB -0.473 29.813 30.300 -0.023 0.000 0.860 206 R HN 0.391 nan 8.270 nan 0.000 0.438 207 Q N -0.451 119.366 119.800 0.028 0.000 2.170 207 Q HA -0.181 4.159 4.340 0.001 0.000 0.203 207 Q C 1.786 177.827 176.000 0.068 0.000 0.976 207 Q CA 1.709 57.537 55.803 0.042 0.000 0.858 207 Q CB -0.246 28.522 28.738 0.051 0.000 0.907 207 Q HN 0.460 nan 8.270 nan 0.000 0.433 208 H N -0.921 118.161 119.070 0.019 0.000 2.293 208 H HA -0.093 4.463 4.556 0.001 0.000 0.300 208 H C 1.355 176.775 175.328 0.152 0.000 1.082 208 H CA 1.677 57.780 56.048 0.091 0.000 1.308 208 H CB -0.079 29.724 29.762 0.069 0.000 1.375 208 H HN 0.168 nan 8.280 nan 0.000 0.495 209 L N 0.355 121.675 121.223 0.161 0.000 2.079 209 L HA -0.184 4.157 4.340 0.001 0.000 0.210 209 L C 2.530 179.459 176.870 0.099 0.000 1.081 209 L CA 1.066 55.992 54.840 0.143 0.000 0.752 209 L CB -1.400 40.713 42.059 0.090 0.000 0.896 209 L HN 0.428 nan 8.230 nan 0.000 0.433 210 L N 0.139 121.388 121.223 0.043 0.000 2.017 210 L HA -0.195 4.146 4.340 0.001 0.000 0.208 210 L C 2.729 179.578 176.870 -0.034 0.000 1.073 210 L CA 1.618 56.467 54.840 0.015 0.000 0.745 210 L CB -0.856 41.204 42.059 0.001 0.000 0.894 210 L HN 0.352 nan 8.230 nan 0.000 0.432 211 R N -1.122 119.312 120.500 -0.111 0.000 2.193 211 R HA -0.226 4.114 4.340 0.001 0.000 0.229 211 R C 1.710 177.763 176.300 -0.412 0.000 1.110 211 R CA 1.394 57.327 56.100 -0.278 0.000 0.988 211 R CB -0.362 29.712 30.300 -0.377 0.000 0.871 211 R HN 0.464 nan 8.270 nan 0.000 0.458 212 W N -0.947 120.274 121.300 -0.132 0.000 3.220 212 W HA 0.255 4.916 4.660 0.001 0.000 0.328 212 W C 1.010 177.506 176.519 -0.038 0.000 1.205 212 W CA 0.442 57.728 57.345 -0.099 0.000 1.773 212 W CB 0.796 30.177 29.460 -0.133 0.000 1.086 212 W HN 0.340 nan 8.180 nan 0.000 0.622 213 G N 0.156 109.037 108.800 0.136 0.000 2.148 213 G HA2 -0.202 3.759 3.960 0.001 0.000 0.203 213 G HA3 -0.202 3.759 3.960 0.001 0.000 0.203 213 G C -0.451 174.524 174.900 0.126 0.000 0.993 213 G CA -0.661 44.506 45.100 0.112 0.000 0.661 213 G HN -0.022 nan 8.290 nan 0.000 0.518 214 L N 2.493 123.795 121.223 0.132 0.000 2.287 214 L HA 0.582 4.922 4.340 0.001 0.000 0.287 214 L C 1.013 177.934 176.870 0.085 0.000 1.022 214 L CA 0.090 55.006 54.840 0.126 0.000 0.814 214 L CB 0.694 42.841 42.059 0.145 0.000 1.217 214 L HN 0.412 nan 8.230 nan 0.000 0.420 215 T N -0.749 113.846 114.554 0.069 0.000 2.928 215 T HA 0.628 4.978 4.350 0.001 0.000 0.284 215 T C 0.257 174.979 174.700 0.036 0.000 1.008 215 T CA -0.601 61.526 62.100 0.044 0.000 1.057 215 T CB 1.429 70.317 68.868 0.035 0.000 1.018 215 T HN 0.581 nan 8.240 nan 0.000 0.493 216 T N 1.268 115.836 114.554 0.023 0.000 3.060 216 T HA 0.478 4.828 4.350 0.001 0.000 0.367 216 T C -2.275 172.429 174.700 0.007 0.000 1.229 216 T CA -1.334 60.775 62.100 0.016 0.000 1.104 216 T CB 0.520 69.395 68.868 0.011 0.000 1.083 216 T HN 0.551 nan 8.240 nan 0.000 0.524 217 P HA 0.334 nan 4.420 nan 0.000 0.300 217 P C -1.006 176.290 177.300 -0.007 0.000 1.294 217 P CA -0.092 63.006 63.100 -0.004 0.000 0.757 217 P CB 0.451 32.144 31.700 -0.011 0.000 1.377 218 D N -1.213 119.179 120.400 -0.014 0.000 2.696 218 D HA 0.273 4.914 4.640 0.001 0.000 0.251 218 D C -0.092 176.185 176.300 -0.039 0.000 1.188 218 D CA -0.535 53.452 54.000 -0.022 0.000 0.876 218 D CB 1.382 42.172 40.800 -0.016 0.000 1.334 218 D HN 0.327 nan 8.370 nan 0.000 0.540 219 K N 0.427 120.790 120.400 -0.062 0.000 3.547 219 K HA -0.240 4.081 4.320 0.001 0.000 0.309 219 K C 0.279 176.868 176.600 -0.019 0.000 1.324 219 K CA 0.843 57.100 56.287 -0.049 0.000 0.988 219 K CB -0.559 31.928 32.500 -0.021 0.000 1.261 219 K HN 0.336 nan 8.250 nan 0.000 0.444 220 K N 1.574 121.961 120.400 -0.022 0.000 2.778 220 K HA 0.105 4.426 4.320 0.001 0.000 0.238 220 K C -0.718 175.906 176.600 0.040 0.000 1.233 220 K CA -0.347 55.947 56.287 0.012 0.000 1.195 220 K CB -0.082 32.423 32.500 0.009 0.000 1.743 220 K HN 0.146 nan 8.250 nan 0.000 0.418 221 H N 1.256 120.330 119.070 0.007 0.000 3.167 221 H HA -0.210 4.347 4.556 0.001 0.000 0.263 221 H C 0.574 175.928 175.328 0.043 0.000 0.830 221 H CA 0.974 57.047 56.048 0.041 0.000 1.436 221 H CB 0.382 30.136 29.762 -0.013 0.000 1.325 221 H HN 0.566 nan 8.280 nan 0.000 0.520 222 Q N 1.887 121.847 119.800 0.267 0.000 3.081 222 Q HA 0.241 4.581 4.340 0.001 0.000 0.204 222 Q C 0.084 176.284 176.000 0.334 0.000 1.168 222 Q CA -0.818 55.124 55.803 0.231 0.000 0.349 222 Q CB 0.524 29.344 28.738 0.137 0.000 5.722 222 Q HN 0.410 nan 8.270 nan 0.000 0.302 223 K N 2.132 122.658 120.400 0.210 0.000 2.408 223 K HA -0.043 4.277 4.320 0.001 0.000 0.231 223 K C -0.660 176.026 176.600 0.142 0.000 1.261 223 K CA 0.627 57.011 56.287 0.162 0.000 1.193 223 K CB -0.350 32.209 32.500 0.099 0.000 1.431 223 K HN 0.450 nan 8.250 nan 0.000 0.243 224 E N 1.625 121.948 120.200 0.205 0.000 2.945 224 E HA 0.149 4.500 4.350 0.001 0.000 0.196 224 E C -2.463 174.181 176.600 0.073 0.000 0.965 224 E CA -1.388 55.125 56.400 0.188 0.000 1.270 224 E CB 0.589 30.476 29.700 0.312 0.000 1.045 224 E HN 0.217 nan 8.360 nan 0.000 0.474 225 P HA -0.010 nan 4.420 nan 0.000 0.261 225 P C -2.517 174.739 177.300 -0.072 0.000 1.173 225 P CA -0.425 62.458 63.100 -0.362 0.000 0.760 225 P CB 0.000 31.474 31.700 -0.377 0.000 0.783 226 P HA 0.101 nan 4.420 nan 0.000 0.275 226 P C -0.262 177.037 177.300 -0.001 0.000 1.276 226 P CA 0.053 63.023 63.100 -0.216 0.000 0.782 226 P CB 0.147 31.693 31.700 -0.255 0.000 0.851 227 F N 2.590 122.484 119.950 -0.094 0.000 2.602 227 F HA -0.015 4.513 4.527 0.001 0.000 0.367 227 F C 1.173 176.809 175.800 -0.273 0.000 1.126 227 F CA -0.589 57.249 58.000 -0.270 0.000 1.321 227 F CB 0.308 39.192 39.000 -0.193 0.000 1.094 227 F HN 0.135 nan 8.300 nan 0.000 0.594 228 L N 3.099 124.072 121.223 -0.416 0.000 2.295 228 L HA 0.373 4.713 4.340 0.001 0.000 0.285 228 L C -1.183 175.784 176.870 0.162 0.000 1.035 228 L CA -0.556 54.293 54.840 0.015 0.000 0.806 228 L CB 1.294 43.488 42.059 0.226 0.000 1.214 228 L HN 0.643 nan 8.230 nan 0.000 0.426 229 W N 6.555 127.862 121.300 0.012 0.000 4.000 229 W HA 0.410 5.071 4.660 0.001 0.000 0.302 229 W C -0.234 176.273 176.519 -0.021 0.000 1.206 229 W CA -0.737 56.615 57.345 0.012 0.000 1.286 229 W CB 0.821 30.307 29.460 0.044 0.000 1.234 229 W HN 0.415 nan 8.180 nan 0.000 0.477 230 M N 5.049 124.321 119.600 -0.546 0.000 2.899 230 M HA -0.141 4.339 4.480 0.001 0.000 0.195 230 M C 1.120 176.970 176.300 -0.750 0.000 0.603 230 M CA 2.436 57.195 55.300 -0.901 0.000 0.712 230 M CB -1.421 30.158 32.600 -1.701 0.000 2.569 230 M HN 1.781 nan 8.290 nan 0.000 0.406 231 G N -2.717 105.812 108.800 -0.453 0.000 2.179 231 G HA2 -0.288 3.672 3.960 0.001 0.000 0.220 231 G HA3 -0.288 3.672 3.960 0.001 0.000 0.220 231 G C -0.011 174.748 174.900 -0.234 0.000 0.990 231 G CA 0.179 45.047 45.100 -0.388 0.000 0.646 231 G HN 0.624 nan 8.290 nan 0.000 0.517 232 Y N -0.518 119.886 120.300 0.174 0.000 3.052 232 Y HA 0.766 5.316 4.550 0.001 0.000 0.361 232 Y C 1.163 177.206 175.900 0.239 0.000 1.255 232 Y CA -0.680 57.572 58.100 0.252 0.000 1.111 232 Y CB 0.615 39.206 38.460 0.217 0.000 1.361 232 Y HN 0.011 nan 8.280 nan 0.000 0.810 233 E N 0.406 120.892 120.200 0.477 0.000 3.554 233 E HA 0.290 4.640 4.350 0.001 0.000 0.286 233 E C -1.486 175.194 176.600 0.132 0.000 1.173 233 E CA -0.052 56.499 56.400 0.253 0.000 1.117 233 E CB 0.010 29.852 29.700 0.237 0.000 1.323 233 E HN 0.386 nan 8.360 nan 0.000 0.394 234 L N 1.178 122.523 121.223 0.204 0.000 2.498 234 L HA 0.065 4.405 4.340 0.001 0.000 0.293 234 L C 0.385 177.187 176.870 -0.113 0.000 1.271 234 L CA 1.023 55.993 54.840 0.217 0.000 0.831 234 L CB 0.016 42.223 42.059 0.246 0.000 1.091 234 L HN 0.479 nan 8.230 nan 0.000 0.535 235 H N -0.523 118.671 119.070 0.208 0.000 2.943 235 H HA 0.257 4.814 4.556 0.001 0.000 0.323 235 H C -1.822 173.458 175.328 -0.080 0.000 1.296 235 H CA -1.088 54.959 56.048 -0.002 0.000 1.155 235 H CB 1.015 30.767 29.762 -0.016 0.000 1.882 235 H HN 0.247 nan 8.280 nan 0.000 0.553 236 P HA -0.062 nan 4.420 nan 0.000 0.217 236 P C -0.027 177.139 177.300 -0.223 0.000 1.150 236 P CA 1.566 64.613 63.100 -0.088 0.000 0.832 236 P CB 0.419 32.066 31.700 -0.089 0.000 0.787 237 D N -2.589 117.666 120.400 -0.243 0.000 2.473 237 D HA 0.022 4.662 4.640 0.001 0.000 0.242 237 D C 0.911 176.990 176.300 -0.369 0.000 1.106 237 D CA 0.173 53.965 54.000 -0.346 0.000 0.854 237 D CB 0.549 41.237 40.800 -0.187 0.000 1.192 237 D HN 0.093 nan 8.370 nan 0.000 0.503 238 K N -0.158 120.137 120.400 -0.174 0.000 2.082 238 K HA 0.454 4.774 4.320 0.001 0.000 0.242 238 K C -1.101 175.707 176.600 0.346 0.000 1.070 238 K CA -0.842 55.443 56.287 -0.004 0.000 0.892 238 K CB 1.292 33.862 32.500 0.117 0.000 1.417 238 K HN 0.125 nan 8.250 nan 0.000 0.541 239 W N -1.394 120.079 121.300 0.288 0.000 3.298 239 W HA 0.521 5.182 4.660 0.001 0.000 0.302 239 W C -1.931 174.717 176.519 0.214 0.000 1.255 239 W CA -0.687 56.838 57.345 0.300 0.000 1.196 239 W CB 0.845 30.441 29.460 0.227 0.000 1.364 239 W HN 0.690 nan 8.180 nan 0.000 0.566 240 T N 0.305 115.195 114.554 0.561 0.000 2.853 240 T HA 0.378 4.728 4.350 0.001 0.000 0.311 240 T C -1.496 173.561 174.700 0.595 0.000 1.307 240 T CA -0.384 61.948 62.100 0.386 0.000 1.019 240 T CB 2.106 71.094 68.868 0.200 0.000 1.264 240 T HN 0.739 nan 8.240 nan 0.000 0.497 241 V N 3.980 124.226 119.914 0.553 0.000 2.555 241 V HA 0.366 4.487 4.120 0.001 0.000 0.286 241 V C 0.397 176.769 176.094 0.464 0.000 1.044 241 V CA 0.051 62.720 62.300 0.615 0.000 1.026 241 V CB 0.728 32.874 31.823 0.539 0.000 0.981 241 V HN 0.987 nan 8.190 nan 0.000 0.480 242 Q N 7.467 127.511 119.800 0.405 0.000 2.269 242 Q HA 0.124 4.465 4.340 0.001 0.000 0.300 242 Q C -2.165 174.002 176.000 0.279 0.000 1.070 242 Q CA -0.842 55.132 55.803 0.285 0.000 0.957 242 Q CB 0.148 29.006 28.738 0.200 0.000 1.131 242 Q HN 0.633 nan 8.270 nan 0.000 0.377 243 P HA -0.079 nan 4.420 nan 0.000 0.264 243 P C -0.880 176.529 177.300 0.182 0.000 1.179 243 P CA 0.385 63.606 63.100 0.202 0.000 0.763 243 P CB 0.477 32.264 31.700 0.144 0.000 0.806 244 I N 3.150 123.823 120.570 0.172 0.000 2.378 244 I HA 0.230 4.400 4.170 0.001 0.000 0.291 244 I C -0.109 176.059 176.117 0.084 0.000 0.992 244 I CA -0.686 60.709 61.300 0.158 0.000 1.154 244 I CB 1.473 39.614 38.000 0.235 0.000 1.315 244 I HN 0.017 nan 8.210 nan 0.000 0.448 245 V N 6.402 126.359 119.914 0.072 0.000 2.398 245 V HA 0.382 4.502 4.120 0.001 0.000 0.286 245 V C 0.122 176.250 176.094 0.057 0.000 1.026 245 V CA -0.846 61.484 62.300 0.051 0.000 0.868 245 V CB 2.065 33.913 31.823 0.042 0.000 0.982 245 V HN 0.339 nan 8.190 nan 0.000 0.443 246 L N 6.657 127.915 121.223 0.059 0.000 2.331 246 L HA 0.361 4.702 4.340 0.001 0.000 0.278 246 L C -2.092 174.840 176.870 0.103 0.000 1.106 246 L CA -1.823 53.069 54.840 0.087 0.000 0.824 246 L CB 0.767 42.878 42.059 0.087 0.000 1.142 246 L HN 0.457 nan 8.230 nan 0.000 0.443 247 P HA 0.024 nan 4.420 nan 0.000 0.254 247 P C -0.172 177.216 177.300 0.147 0.000 1.467 247 P CA -0.013 63.160 63.100 0.120 0.000 1.281 247 P CB -0.248 31.555 31.700 0.171 0.000 1.754 248 E N 1.462 121.694 120.200 0.053 0.000 2.705 248 E HA 0.030 4.380 4.350 0.001 0.000 0.272 248 E C -0.033 176.424 176.600 -0.239 0.000 1.528 248 E CA -0.272 56.144 56.400 0.026 0.000 1.750 248 E CB -0.317 29.406 29.700 0.039 0.000 1.439 248 E HN 0.123 nan 8.360 nan 0.000 0.449 249 K N 1.430 121.473 120.400 -0.596 0.000 2.292 249 K HA 0.060 4.381 4.320 0.001 0.000 0.290 249 K C -0.298 175.690 176.600 -1.020 0.000 1.083 249 K CA -0.116 55.722 56.287 -0.747 0.000 0.918 249 K CB 0.926 32.972 32.500 -0.758 0.000 1.089 249 K HN 0.181 nan 8.250 nan 0.000 0.473 250 D N 0.647 120.752 120.400 -0.493 0.000 2.228 250 D HA -0.145 4.496 4.640 0.001 0.000 0.203 250 D C 0.558 176.729 176.300 -0.214 0.000 0.988 250 D CA 1.384 55.214 54.000 -0.284 0.000 0.864 250 D CB 0.360 41.087 40.800 -0.122 0.000 0.928 250 D HN 0.358 nan 8.370 nan 0.000 0.469 251 S N -1.190 114.343 115.700 -0.279 0.000 2.593 251 S HA 0.443 4.914 4.470 0.001 0.000 0.297 251 S C -1.493 172.965 174.600 -0.237 0.000 1.112 251 S CA -0.839 57.287 58.200 -0.122 0.000 1.043 251 S CB 0.711 63.872 63.200 -0.066 0.000 1.054 251 S HN 0.134 nan 8.310 nan 0.000 0.516 252 W N 2.689 123.989 121.300 -0.000 0.000 2.839 252 W HA 0.380 5.041 4.660 0.001 0.000 0.334 252 W C -0.219 176.300 176.519 -0.001 0.000 1.064 252 W CA -0.540 56.804 57.345 -0.000 0.000 1.236 252 W CB 1.729 31.189 29.460 -0.000 0.000 1.405 252 W HN 0.860 nan 8.180 nan 0.000 0.478 253 T N -1.282 113.402 114.554 0.216 0.000 2.949 253 T HA 0.463 4.814 4.350 0.001 0.000 0.287 253 T C 0.977 175.774 174.700 0.161 0.000 1.034 253 T CA -0.675 61.511 62.100 0.144 0.000 1.018 253 T CB 1.730 70.642 68.868 0.073 0.000 1.135 253 T HN 0.095 nan 8.240 nan 0.000 0.532 254 V N 1.781 121.755 119.914 0.099 0.000 2.254 254 V HA -0.300 3.821 4.120 0.001 0.000 0.242 254 V C 2.928 179.077 176.094 0.091 0.000 1.024 254 V CA 2.493 64.839 62.300 0.077 0.000 1.009 254 V CB -1.020 30.831 31.823 0.047 0.000 0.653 254 V HN 1.111 nan 8.190 nan 0.000 0.474 255 N N -0.020 118.720 118.700 0.067 0.000 2.242 255 N HA -0.278 4.463 4.740 0.001 0.000 0.193 255 N C 1.631 177.197 175.510 0.094 0.000 1.000 255 N CA 2.102 55.189 53.050 0.062 0.000 0.885 255 N CB -0.493 38.018 38.487 0.040 0.000 0.988 255 N HN 0.625 nan 8.380 nan 0.000 0.444 256 D N 0.117 120.597 120.400 0.134 0.000 2.144 256 D HA -0.107 4.533 4.640 0.001 0.000 0.200 256 D C 1.896 178.411 176.300 0.358 0.000 0.978 256 D CA 0.394 54.513 54.000 0.199 0.000 0.833 256 D CB -0.059 40.847 40.800 0.177 0.000 0.961 256 D HN 0.349 nan 8.370 nan 0.000 0.470 257 I N -0.097 120.653 120.570 0.300 0.000 2.494 257 I HA -0.118 4.052 4.170 0.001 0.000 0.250 257 I C 2.267 178.431 176.117 0.079 0.000 1.112 257 I CA 0.584 61.974 61.300 0.149 0.000 1.438 257 I CB -0.341 37.647 38.000 -0.019 0.000 1.111 257 I HN 0.024 nan 8.210 nan 0.000 0.431 258 C N 1.208 120.550 119.300 0.070 0.000 2.403 258 C HA -0.183 4.278 4.460 0.001 0.000 0.277 258 C C 2.695 177.722 174.990 0.062 0.000 1.248 258 C CA 0.758 59.806 59.018 0.050 0.000 1.762 258 C CB -1.131 26.634 27.740 0.041 0.000 2.014 258 C HN 0.433 nan 8.230 nan 0.000 0.486 259 K N 0.266 120.718 120.400 0.087 0.000 2.089 259 K HA -0.189 4.132 4.320 0.001 0.000 0.210 259 K C 1.960 178.619 176.600 0.098 0.000 1.048 259 K CA 1.261 57.601 56.287 0.088 0.000 0.926 259 K CB -0.618 31.948 32.500 0.110 0.000 0.714 259 K HN 0.535 nan 8.250 nan 0.000 0.448 260 L N 0.483 121.777 121.223 0.118 0.000 1.993 260 L HA -0.132 4.209 4.340 0.001 0.000 0.206 260 L C 2.470 179.377 176.870 0.061 0.000 1.074 260 L CA 0.985 55.884 54.840 0.099 0.000 0.746 260 L CB -0.579 41.521 42.059 0.069 0.000 0.896 260 L HN -0.013 nan 8.230 nan 0.000 0.435 261 V N 0.429 120.362 119.914 0.032 0.000 2.317 261 V HA -0.273 3.848 4.120 0.001 0.000 0.251 261 V C 2.347 178.479 176.094 0.064 0.000 1.065 261 V CA 2.369 64.686 62.300 0.028 0.000 1.049 261 V CB -0.847 30.982 31.823 0.010 0.000 0.651 261 V HN 0.649 nan 8.190 nan 0.000 0.450 262 G N -0.694 108.149 108.800 0.071 0.000 2.418 262 G HA2 -0.223 3.737 3.960 0.001 0.000 0.217 262 G HA3 -0.223 3.737 3.960 0.001 0.000 0.217 262 G C 1.633 176.621 174.900 0.146 0.000 1.158 262 G CA 0.812 45.967 45.100 0.093 0.000 0.771 262 G HN 0.493 nan 8.290 nan 0.000 0.545 263 K N -0.298 120.181 120.400 0.131 0.000 2.097 263 K HA 0.009 4.330 4.320 0.001 0.000 0.206 263 K C 2.441 179.179 176.600 0.230 0.000 1.049 263 K CA 0.567 56.965 56.287 0.185 0.000 0.933 263 K CB -0.345 32.234 32.500 0.131 0.000 0.717 263 K HN 0.231 nan 8.250 nan 0.000 0.442 264 L N 1.913 123.224 121.223 0.146 0.000 2.044 264 L HA -0.120 4.221 4.340 0.001 0.000 0.205 264 L C 1.902 178.845 176.870 0.123 0.000 1.075 264 L CA 1.495 56.400 54.840 0.108 0.000 0.747 264 L CB -0.813 41.279 42.059 0.054 0.000 0.903 264 L HN 0.174 nan 8.230 nan 0.000 0.435 265 N N -1.173 117.609 118.700 0.136 0.000 2.166 265 N HA -0.266 4.475 4.740 0.001 0.000 0.186 265 N C 1.736 177.358 175.510 0.187 0.000 1.019 265 N CA 1.316 54.446 53.050 0.134 0.000 0.856 265 N CB -0.421 38.145 38.487 0.131 0.000 0.993 265 N HN 0.547 nan 8.380 nan 0.000 0.426 266 W N 2.227 123.575 121.300 0.080 0.000 2.388 266 W HA -0.062 4.599 4.660 0.001 0.000 0.294 266 W C 1.888 178.505 176.519 0.163 0.000 1.212 266 W CA 1.437 58.847 57.345 0.107 0.000 1.271 266 W CB -0.079 29.428 29.460 0.078 0.000 1.126 266 W HN 0.008 nan 8.180 nan 0.000 0.535 267 A N 0.901 123.797 122.820 0.126 0.000 1.898 267 A HA -0.221 4.100 4.320 0.001 0.000 0.216 267 A C 1.964 179.604 177.584 0.093 0.000 1.181 267 A CA 2.148 54.244 52.037 0.098 0.000 0.620 267 A CB -1.314 17.754 19.000 0.114 0.000 0.819 267 A HN 0.344 nan 8.150 nan 0.000 0.442 268 S N 0.113 115.843 115.700 0.049 0.000 2.720 268 S HA -0.066 4.405 4.470 0.001 0.000 0.222 268 S C 1.472 176.046 174.600 -0.043 0.000 0.958 268 S CA 0.694 58.907 58.200 0.022 0.000 0.943 268 S CB -0.490 62.715 63.200 0.008 0.000 0.779 268 S HN 0.809 nan 8.310 nan 0.000 0.526 269 Q N -0.540 119.223 119.800 -0.061 0.000 2.392 269 Q HA 0.325 4.666 4.340 0.001 0.000 0.203 269 Q C 1.314 177.312 176.000 -0.004 0.000 0.917 269 Q CA 0.247 56.012 55.803 -0.063 0.000 0.939 269 Q CB -0.060 28.615 28.738 -0.106 0.000 1.063 269 Q HN 0.572 nan 8.270 nan 0.000 0.516 270 I N -1.392 119.153 120.570 -0.041 0.000 5.061 270 I HA 0.203 4.373 4.170 0.001 0.000 0.336 270 I C -0.876 175.054 176.117 -0.313 0.000 1.247 270 I CA -0.443 60.759 61.300 -0.163 0.000 1.418 270 I CB 1.054 38.907 38.000 -0.245 0.000 1.467 270 I HN 0.006 nan 8.210 nan 0.000 0.510 271 Y N 3.901 124.170 120.300 -0.052 0.000 2.535 271 Y HA 0.465 5.016 4.550 0.001 0.000 0.349 271 Y C -2.149 173.717 175.900 -0.057 0.000 0.992 271 Y CA -2.641 55.434 58.100 -0.042 0.000 1.248 271 Y CB -0.201 38.248 38.460 -0.018 0.000 1.124 271 Y HN 0.051 nan 8.280 nan 0.000 0.520 272 P HA 0.172 nan 4.420 nan 0.000 0.272 272 P C 0.931 178.239 177.300 0.013 0.000 1.230 272 P CA 0.920 64.007 63.100 -0.021 0.000 0.788 272 P CB 0.974 32.649 31.700 -0.043 0.000 0.949 273 G N 0.788 109.580 108.800 -0.013 0.000 2.284 273 G HA2 -0.205 3.755 3.960 0.001 0.000 0.230 273 G HA3 -0.205 3.755 3.960 0.001 0.000 0.230 273 G C 0.249 175.146 174.900 -0.005 0.000 1.021 273 G CA -0.452 44.645 45.100 -0.006 0.000 0.619 273 G HN 0.481 nan 8.290 nan 0.000 0.510 274 I N 2.470 123.045 120.570 0.007 0.000 2.821 274 I HA 0.199 4.369 4.170 0.001 0.000 0.294 274 I C 0.816 176.929 176.117 -0.007 0.000 1.210 274 I CA 1.206 62.510 61.300 0.006 0.000 1.430 274 I CB 0.281 38.295 38.000 0.024 0.000 1.356 274 I HN 0.591 nan 8.210 nan 0.000 0.563 275 K N 5.897 126.288 120.400 -0.015 0.000 2.498 275 K HA 0.649 4.970 4.320 0.001 0.000 0.254 275 K C -0.943 175.639 176.600 -0.031 0.000 0.933 275 K CA -0.746 55.527 56.287 -0.023 0.000 0.806 275 K CB 2.492 34.971 32.500 -0.036 0.000 1.301 275 K HN 0.253 nan 8.250 nan 0.000 0.432 276 V N -0.203 119.692 119.914 -0.032 0.000 2.793 276 V HA 0.343 4.463 4.120 0.001 0.000 0.361 276 V C 0.951 177.016 176.094 -0.049 0.000 1.298 276 V CA -0.502 61.774 62.300 -0.041 0.000 1.343 276 V CB 0.402 32.209 31.823 -0.028 0.000 1.410 276 V HN 0.947 nan 8.190 nan 0.000 0.656 277 R N 0.674 121.141 120.500 -0.055 0.000 2.073 277 R HA 0.066 4.407 4.340 0.001 0.000 0.229 277 R C 2.106 178.369 176.300 -0.061 0.000 1.120 277 R CA 1.974 58.040 56.100 -0.057 0.000 0.967 277 R CB 0.122 30.385 30.300 -0.061 0.000 0.862 277 R HN 0.633 nan 8.270 nan 0.000 0.436 278 Q N -0.107 119.652 119.800 -0.068 0.000 2.204 278 Q HA 0.020 4.360 4.340 0.001 0.000 0.198 278 Q C 2.070 178.017 176.000 -0.089 0.000 0.946 278 Q CA 0.426 56.185 55.803 -0.072 0.000 0.859 278 Q CB 0.054 28.748 28.738 -0.073 0.000 0.946 278 Q HN 0.290 nan 8.270 nan 0.000 0.474 279 L N 0.912 122.070 121.223 -0.108 0.000 2.051 279 L HA -0.172 4.169 4.340 0.001 0.000 0.214 279 L C 1.689 178.498 176.870 -0.101 0.000 1.076 279 L CA 1.806 56.563 54.840 -0.138 0.000 0.758 279 L CB -1.378 40.596 42.059 -0.141 0.000 0.890 279 L HN 0.141 nan 8.230 nan 0.000 0.433 280 S N -1.144 114.512 115.700 -0.073 0.000 2.554 280 S HA 0.043 4.514 4.470 0.001 0.000 0.226 280 S C 1.338 175.912 174.600 -0.043 0.000 0.980 280 S CA -0.215 57.953 58.200 -0.053 0.000 0.939 280 S CB 0.229 63.403 63.200 -0.043 0.000 0.832 280 S HN 0.516 nan 8.310 nan 0.000 0.486 281 K N 0.827 121.199 120.400 -0.046 0.000 2.417 281 K HA 0.285 4.605 4.320 0.001 0.000 0.196 281 K C 0.958 177.538 176.600 -0.033 0.000 1.023 281 K CA 0.145 56.410 56.287 -0.037 0.000 1.122 281 K CB -0.182 32.296 32.500 -0.038 0.000 0.850 281 K HN 0.015 nan 8.250 nan 0.000 0.521 282 L N 0.883 122.083 121.223 -0.039 0.000 2.217 282 L HA 0.022 4.363 4.340 0.001 0.000 0.211 282 L C 1.727 178.586 176.870 -0.018 0.000 1.107 282 L CA 1.076 55.897 54.840 -0.033 0.000 0.783 282 L CB -0.444 41.585 42.059 -0.050 0.000 0.919 282 L HN 0.321 nan 8.230 nan 0.000 0.442 283 L N -0.502 120.711 121.223 -0.017 0.000 2.465 283 L HA -0.047 4.293 4.340 0.001 0.000 0.224 283 L C 0.905 177.772 176.870 -0.005 0.000 1.145 283 L CA 0.494 55.331 54.840 -0.006 0.000 0.834 283 L CB -0.810 41.245 42.059 -0.005 0.000 0.944 283 L HN 0.241 nan 8.230 nan 0.000 0.451 284 R N 0.387 120.881 120.500 -0.010 0.000 2.502 284 R HA 0.160 4.501 4.340 0.001 0.000 0.292 284 R C 1.321 177.619 176.300 -0.004 0.000 0.998 284 R CA 0.940 57.035 56.100 -0.009 0.000 1.056 284 R CB -0.028 30.265 30.300 -0.013 0.000 0.939 284 R HN 0.367 nan 8.270 nan 0.000 0.411 285 G N 1.802 110.601 108.800 -0.002 0.000 2.383 285 G HA2 -0.368 3.592 3.960 0.001 0.000 0.229 285 G HA3 -0.368 3.592 3.960 0.001 0.000 0.229 285 G C 0.371 175.273 174.900 0.003 0.000 1.089 285 G CA 0.377 45.477 45.100 0.001 0.000 0.640 285 G HN 0.778 nan 8.290 nan 0.000 0.510 286 T N -0.804 113.753 114.554 0.004 0.000 2.906 286 T HA 0.351 4.702 4.350 0.001 0.000 0.329 286 T C 0.870 175.574 174.700 0.008 0.000 1.091 286 T CA 1.139 63.243 62.100 0.007 0.000 1.127 286 T CB 1.544 70.418 68.868 0.009 0.000 1.035 286 T HN 0.534 nan 8.240 nan 0.000 0.547 287 K N -0.097 120.308 120.400 0.009 0.000 2.402 287 K HA 0.443 4.764 4.320 0.001 0.000 0.204 287 K C 0.327 176.932 176.600 0.009 0.000 1.056 287 K CA -0.298 55.994 56.287 0.008 0.000 1.069 287 K CB 0.531 33.036 32.500 0.008 0.000 0.888 287 K HN 0.825 nan 8.250 nan 0.000 0.546 288 A N 0.657 123.484 122.820 0.011 0.000 2.354 288 A HA 0.534 4.855 4.320 0.001 0.000 0.321 288 A C 0.333 177.926 177.584 0.015 0.000 1.125 288 A CA -0.637 51.407 52.037 0.013 0.000 0.799 288 A CB 1.019 20.027 19.000 0.014 0.000 1.293 288 A HN 0.198 nan 8.150 nan 0.000 0.452 289 L N 0.079 121.311 121.223 0.015 0.000 2.575 289 L HA 0.086 4.426 4.340 0.001 0.000 0.228 289 L C 2.045 178.929 176.870 0.023 0.000 1.075 289 L CA 1.296 56.147 54.840 0.018 0.000 0.867 289 L CB 0.238 42.305 42.059 0.014 0.000 1.097 289 L HN 0.920 nan 8.230 nan 0.000 0.485 290 T N -4.465 110.102 114.554 0.021 0.000 3.001 290 T HA 0.032 4.382 4.350 0.001 0.000 0.251 290 T C 0.719 175.435 174.700 0.028 0.000 1.040 290 T CA -0.330 61.784 62.100 0.023 0.000 0.985 290 T CB 0.069 68.946 68.868 0.015 0.000 1.011 290 T HN 0.137 nan 8.240 nan 0.000 0.509 291 E N 2.099 122.314 120.200 0.026 0.000 2.652 291 E HA 0.083 4.433 4.350 0.001 0.000 0.255 291 E C 0.016 176.639 176.600 0.039 0.000 0.952 291 E CA -0.249 56.167 56.400 0.027 0.000 0.947 291 E CB 0.602 30.315 29.700 0.023 0.000 0.912 291 E HN 0.246 nan 8.360 nan 0.000 0.489 292 V N 6.034 125.972 119.914 0.040 0.000 2.999 292 V HA 0.047 4.167 4.120 0.001 0.000 0.307 292 V C -0.062 176.069 176.094 0.061 0.000 1.084 292 V CA 0.099 62.433 62.300 0.058 0.000 1.155 292 V CB 0.616 32.468 31.823 0.049 0.000 0.975 292 V HN 0.535 nan 8.190 nan 0.000 0.490 293 I N 6.312 126.935 120.570 0.088 0.000 2.447 293 I HA 0.410 4.580 4.170 0.001 0.000 0.287 293 I C -2.453 173.714 176.117 0.082 0.000 1.023 293 I CA -2.413 58.929 61.300 0.069 0.000 1.083 293 I CB 1.350 39.383 38.000 0.054 0.000 1.245 293 I HN 0.506 nan 8.210 nan 0.000 0.434 294 P HA 0.122 nan 4.420 nan 0.000 0.269 294 P C -0.057 177.265 177.300 0.036 0.000 1.252 294 P CA -0.457 62.675 63.100 0.054 0.000 0.780 294 P CB 0.309 32.030 31.700 0.035 0.000 0.829 295 L N 4.599 125.854 121.223 0.053 0.000 2.737 295 L HA -0.009 4.331 4.340 0.001 0.000 0.275 295 L C 0.266 177.124 176.870 -0.020 0.000 1.179 295 L CA 1.157 55.993 54.840 -0.008 0.000 0.970 295 L CB -0.743 41.329 42.059 0.021 0.000 1.268 295 L HN 0.329 nan 8.230 nan 0.000 0.485 296 T N 4.540 119.067 114.554 -0.045 0.000 2.898 296 T HA 0.019 4.370 4.350 0.001 0.000 0.301 296 T C 1.128 175.805 174.700 -0.038 0.000 1.049 296 T CA 0.024 62.103 62.100 -0.035 0.000 1.095 296 T CB 1.082 69.925 68.868 -0.041 0.000 0.976 296 T HN 0.801 nan 8.240 nan 0.000 0.539 297 E N 1.317 121.502 120.200 -0.026 0.000 2.012 297 E HA -0.218 4.133 4.350 0.001 0.000 0.197 297 E C 1.682 178.263 176.600 -0.032 0.000 1.007 297 E CA 1.829 58.215 56.400 -0.022 0.000 0.816 297 E CB 0.036 29.727 29.700 -0.016 0.000 0.762 297 E HN 0.732 nan 8.360 nan 0.000 0.451 298 E N 0.467 120.646 120.200 -0.035 0.000 2.204 298 E HA -0.152 4.199 4.350 0.001 0.000 0.195 298 E C 1.746 178.313 176.600 -0.055 0.000 0.990 298 E CA 1.002 57.377 56.400 -0.041 0.000 0.821 298 E CB -0.159 29.516 29.700 -0.041 0.000 0.750 298 E HN 0.360 nan 8.360 nan 0.000 0.477 299 A N 1.539 124.320 122.820 -0.066 0.000 1.832 299 A HA -0.247 4.074 4.320 0.001 0.000 0.214 299 A C 2.213 179.733 177.584 -0.107 0.000 1.200 299 A CA 1.519 53.499 52.037 -0.094 0.000 0.610 299 A CB -0.648 18.286 19.000 -0.111 0.000 0.842 299 A HN 0.282 nan 8.150 nan 0.000 0.444 300 E N -0.056 120.087 120.200 -0.095 0.000 2.114 300 E HA -0.229 4.122 4.350 0.001 0.000 0.199 300 E C 1.915 178.480 176.600 -0.058 0.000 1.008 300 E CA 1.550 57.901 56.400 -0.082 0.000 0.810 300 E CB -0.283 29.395 29.700 -0.038 0.000 0.739 300 E HN 0.623 nan 8.360 nan 0.000 0.456 301 L N 0.238 121.434 121.223 -0.046 0.000 2.093 301 L HA -0.146 4.195 4.340 0.001 0.000 0.208 301 L C 2.711 179.556 176.870 -0.043 0.000 1.085 301 L CA 1.423 56.242 54.840 -0.035 0.000 0.755 301 L CB -0.464 41.578 42.059 -0.029 0.000 0.904 301 L HN 0.258 nan 8.230 nan 0.000 0.435 302 E N 0.661 120.826 120.200 -0.058 0.000 2.046 302 E HA -0.233 4.117 4.350 0.001 0.000 0.190 302 E C 2.217 178.776 176.600 -0.069 0.000 0.982 302 E CA 0.737 57.100 56.400 -0.062 0.000 0.800 302 E CB 0.013 29.670 29.700 -0.071 0.000 0.756 302 E HN 0.257 nan 8.360 nan 0.000 0.449 303 L N 1.339 122.504 121.223 -0.097 0.000 2.043 303 L HA -0.186 4.154 4.340 0.001 0.000 0.212 303 L C 2.272 179.106 176.870 -0.060 0.000 1.075 303 L CA 2.393 57.167 54.840 -0.111 0.000 0.752 303 L CB -1.002 40.941 42.059 -0.194 0.000 0.891 303 L HN 0.195 nan 8.230 nan 0.000 0.432 304 A N -0.442 122.352 122.820 -0.043 0.000 1.884 304 A HA -0.348 3.973 4.320 0.001 0.000 0.219 304 A C 2.273 179.847 177.584 -0.017 0.000 1.197 304 A CA 2.201 54.228 52.037 -0.017 0.000 0.637 304 A CB -1.004 17.988 19.000 -0.013 0.000 0.827 304 A HN 0.636 nan 8.150 nan 0.000 0.450 305 E N 0.462 120.647 120.200 -0.025 0.000 2.118 305 E HA -0.193 4.158 4.350 0.001 0.000 0.195 305 E C 1.632 178.220 176.600 -0.020 0.000 0.992 305 E CA 2.061 58.449 56.400 -0.021 0.000 0.804 305 E CB -0.491 29.193 29.700 -0.025 0.000 0.741 305 E HN 0.707 nan 8.360 nan 0.000 0.458 306 N N -0.233 118.451 118.700 -0.026 0.000 2.106 306 N HA -0.095 4.645 4.740 0.001 0.000 0.188 306 N C 1.728 177.220 175.510 -0.031 0.000 1.029 306 N CA 1.402 54.436 53.050 -0.027 0.000 0.848 306 N CB -0.259 38.210 38.487 -0.029 0.000 1.007 306 N HN 0.068 nan 8.380 nan 0.000 0.423 307 R N 0.970 121.457 120.500 -0.021 0.000 2.159 307 R HA -0.121 4.220 4.340 0.001 0.000 0.237 307 R C 1.246 177.531 176.300 -0.024 0.000 1.131 307 R CA 1.085 57.174 56.100 -0.018 0.000 0.982 307 R CB 0.041 30.347 30.300 0.009 0.000 0.868 307 R HN 0.214 nan 8.270 nan 0.000 0.453 308 E N 0.536 120.727 120.200 -0.015 0.000 2.058 308 E HA -0.224 4.127 4.350 0.001 0.000 0.194 308 E C 1.996 178.589 176.600 -0.012 0.000 0.997 308 E CA 1.357 57.752 56.400 -0.009 0.000 0.801 308 E CB -0.299 29.400 29.700 -0.003 0.000 0.746 308 E HN 0.478 nan 8.360 nan 0.000 0.450 309 I N 0.605 121.164 120.570 -0.019 0.000 2.202 309 I HA -0.229 3.942 4.170 0.001 0.000 0.242 309 I C 2.483 178.573 176.117 -0.044 0.000 1.091 309 I CA 0.909 62.209 61.300 -0.000 0.000 1.368 309 I CB -0.375 37.636 38.000 0.019 0.000 1.058 309 I HN 0.049 nan 8.210 nan 0.000 0.410 310 L N 0.624 121.738 121.223 -0.182 0.000 2.141 310 L HA -0.179 4.162 4.340 0.001 0.000 0.209 310 L C 2.548 179.296 176.870 -0.203 0.000 1.094 310 L CA 1.110 55.690 54.840 -0.434 0.000 0.763 310 L CB -0.560 41.236 42.059 -0.438 0.000 0.908 310 L HN 0.214 nan 8.230 nan 0.000 0.437 311 K N 0.471 120.823 120.400 -0.081 0.000 1.988 311 K HA -0.157 4.163 4.320 0.001 0.000 0.221 311 K C 0.454 177.070 176.600 0.026 0.000 1.053 311 K CA 1.005 57.282 56.287 -0.017 0.000 0.959 311 K CB -0.534 31.964 32.500 -0.002 0.000 0.728 311 K HN 0.289 nan 8.250 nan 0.000 0.447 312 E N 3.233 123.460 120.200 0.044 0.000 2.614 312 E HA -0.015 4.335 4.350 0.001 0.000 0.245 312 E C -2.160 174.543 176.600 0.172 0.000 1.039 312 E CA -0.757 55.694 56.400 0.085 0.000 0.948 312 E CB -0.279 29.469 29.700 0.080 0.000 0.937 312 E HN 0.241 nan 8.360 nan 0.000 0.498 313 P HA 0.212 nan 4.420 nan 0.000 0.274 313 P C -0.331 177.051 177.300 0.136 0.000 1.237 313 P CA -0.353 62.865 63.100 0.197 0.000 0.793 313 P CB 1.384 33.147 31.700 0.104 0.000 0.977 314 V N 1.465 121.417 119.914 0.063 0.000 3.225 314 V HA 0.462 4.583 4.120 0.001 0.000 0.293 314 V C -1.281 174.753 176.094 -0.101 0.000 1.405 314 V CA -0.567 61.700 62.300 -0.056 0.000 1.038 314 V CB 2.135 33.818 31.823 -0.233 0.000 1.123 314 V HN 0.964 nan 8.190 nan 0.000 0.447 315 H N 2.222 121.095 119.070 -0.329 0.000 2.896 315 H HA 0.925 5.482 4.556 0.001 0.000 0.318 315 H C -0.205 174.712 175.328 -0.684 0.000 1.409 315 H CA -0.608 55.163 56.048 -0.461 0.000 1.328 315 H CB 1.611 31.175 29.762 -0.331 0.000 1.940 315 H HN 1.003 nan 8.280 nan 0.000 0.665 316 G N -0.893 107.189 108.800 -1.197 0.000 3.042 316 G HA2 0.574 4.535 3.960 0.001 0.000 0.278 316 G HA3 0.574 4.535 3.960 0.001 0.000 0.278 316 G C -1.219 173.201 174.900 -0.800 0.000 1.371 316 G CA -0.463 43.839 45.100 -1.330 0.000 1.009 316 G HN 0.542 nan 8.290 nan 0.000 0.523 317 V N -1.225 118.601 119.914 -0.146 0.000 3.105 317 V HA 0.591 4.712 4.120 0.001 0.000 0.311 317 V C -1.120 175.400 176.094 0.709 0.000 1.287 317 V CA -0.873 61.529 62.300 0.170 0.000 1.066 317 V CB 1.838 33.670 31.823 0.015 0.000 1.105 317 V HN 0.611 nan 8.190 nan 0.000 0.462 318 Y N -0.255 120.185 120.300 0.234 0.000 2.654 318 Y HA 0.640 5.190 4.550 0.001 0.000 0.328 318 Y C -0.293 175.763 175.900 0.260 0.000 1.174 318 Y CA -1.722 56.535 58.100 0.261 0.000 1.293 318 Y CB 0.795 39.362 38.460 0.177 0.000 1.464 318 Y HN 0.630 nan 8.280 nan 0.000 0.559 319 Y N 1.042 121.517 120.300 0.292 0.000 2.567 319 Y HA 0.583 5.134 4.550 0.001 0.000 0.333 319 Y C -1.468 174.509 175.900 0.129 0.000 1.106 319 Y CA -1.040 57.170 58.100 0.182 0.000 1.157 319 Y CB 1.467 40.088 38.460 0.268 0.000 1.277 319 Y HN 0.631 nan 8.280 nan 0.000 0.490 320 D N 3.219 123.039 120.400 -0.967 0.000 2.927 320 D HA 0.235 4.876 4.640 0.001 0.000 0.219 320 D C -2.778 172.848 176.300 -1.123 0.000 1.248 320 D CA -2.136 51.396 54.000 -0.780 0.000 0.861 320 D CB 1.636 42.242 40.800 -0.324 0.000 1.677 320 D HN 0.231 nan 8.370 nan 0.000 0.511 321 P HA -0.046 nan 4.420 nan 0.000 0.231 321 P C 0.673 177.873 177.300 -0.166 0.000 1.158 321 P CA 0.902 63.871 63.100 -0.219 0.000 0.763 321 P CB 0.369 32.070 31.700 0.003 0.000 0.805 322 S N -0.618 114.957 115.700 -0.209 0.000 2.310 322 S HA 0.017 4.487 4.470 0.001 0.000 0.201 322 S C 0.954 175.479 174.600 -0.125 0.000 1.032 322 S CA 0.686 58.810 58.200 -0.128 0.000 0.993 322 S CB -0.593 62.539 63.200 -0.113 0.000 0.970 322 S HN 0.080 nan 8.310 nan 0.000 0.446 323 K N 1.483 121.796 120.400 -0.146 0.000 2.143 323 K HA 0.268 4.588 4.320 0.001 0.000 0.239 323 K C -0.360 176.163 176.600 -0.127 0.000 1.048 323 K CA 0.069 56.286 56.287 -0.117 0.000 0.867 323 K CB 0.154 32.590 32.500 -0.108 0.000 1.088 323 K HN 0.148 nan 8.250 nan 0.000 0.510 324 D N -0.305 120.041 120.400 -0.090 0.000 2.350 324 D HA 0.308 4.949 4.640 0.001 0.000 0.238 324 D C -1.102 175.140 176.300 -0.096 0.000 0.989 324 D CA -0.575 53.379 54.000 -0.077 0.000 0.921 324 D CB 0.944 41.711 40.800 -0.056 0.000 1.297 324 D HN 0.223 nan 8.370 nan 0.000 0.490 325 L N 2.681 123.824 121.223 -0.133 0.000 2.331 325 L HA 0.399 4.739 4.340 0.001 0.000 0.278 325 L C -0.115 176.605 176.870 -0.250 0.000 1.106 325 L CA -0.235 54.455 54.840 -0.250 0.000 0.824 325 L CB 0.576 42.427 42.059 -0.346 0.000 1.142 325 L HN 0.284 nan 8.230 nan 0.000 0.443 326 I N 2.787 123.192 120.570 -0.275 0.000 2.569 326 I HA 0.582 4.753 4.170 0.001 0.000 0.296 326 I C -0.191 175.581 176.117 -0.575 0.000 1.028 326 I CA -0.570 60.518 61.300 -0.354 0.000 1.082 326 I CB 2.134 40.029 38.000 -0.174 0.000 1.264 326 I HN 0.593 nan 8.210 nan 0.000 0.429 327 A N 4.660 127.108 122.820 -0.620 0.000 2.342 327 A HA 0.671 4.992 4.320 0.001 0.000 0.323 327 A C -0.704 176.655 177.584 -0.377 0.000 1.125 327 A CA -0.437 51.268 52.037 -0.553 0.000 0.785 327 A CB 1.334 19.898 19.000 -0.727 0.000 1.221 327 A HN 0.780 nan 8.150 nan 0.000 0.463 328 E N 3.334 123.370 120.200 -0.274 0.000 2.325 328 E HA 0.463 4.814 4.350 0.001 0.000 0.248 328 E C -1.155 175.457 176.600 0.019 0.000 0.912 328 E CA -0.375 55.951 56.400 -0.123 0.000 0.782 328 E CB 0.680 30.268 29.700 -0.187 0.000 1.264 328 E HN 0.665 nan 8.360 nan 0.000 0.417 329 I N 3.215 123.855 120.570 0.117 0.000 2.662 329 I HA 0.189 4.359 4.170 0.001 0.000 0.291 329 I C 0.149 176.386 176.117 0.201 0.000 1.046 329 I CA -0.424 61.000 61.300 0.206 0.000 1.361 329 I CB 1.173 39.310 38.000 0.230 0.000 1.429 329 I HN 0.506 nan 8.210 nan 0.000 0.558 330 Q N 4.459 124.400 119.800 0.236 0.000 2.289 330 Q HA 0.332 4.673 4.340 0.001 0.000 0.270 330 Q C -1.117 174.936 176.000 0.087 0.000 1.038 330 Q CA -1.044 54.842 55.803 0.139 0.000 0.812 330 Q CB 2.611 31.382 28.738 0.055 0.000 1.300 330 Q HN 0.443 nan 8.270 nan 0.000 0.427 331 K N 2.129 122.494 120.400 -0.059 0.000 2.378 331 K HA 0.055 4.376 4.320 0.001 0.000 0.288 331 K C -0.124 176.287 176.600 -0.315 0.000 1.057 331 K CA 0.306 56.325 56.287 -0.446 0.000 0.971 331 K CB 0.661 32.888 32.500 -0.455 0.000 0.975 331 K HN 0.460 nan 8.250 nan 0.000 0.475 332 Q N 2.502 122.083 119.800 -0.366 0.000 2.582 332 Q HA 0.386 4.727 4.340 0.001 0.000 0.173 332 Q C 0.986 176.824 176.000 -0.270 0.000 1.068 332 Q CA 0.578 56.244 55.803 -0.228 0.000 0.917 332 Q CB 0.107 28.753 28.738 -0.154 0.000 2.945 332 Q HN 0.759 nan 8.270 nan 0.000 0.448 333 G N -0.332 108.354 108.800 -0.190 0.000 2.611 333 G HA2 -0.165 3.796 3.960 0.001 0.000 0.147 333 G HA3 -0.165 3.796 3.960 0.001 0.000 0.147 333 G C 0.639 175.425 174.900 -0.190 0.000 1.798 333 G CA 0.555 45.559 45.100 -0.160 0.000 0.973 333 G HN 0.587 nan 8.290 nan 0.000 0.416 334 Q N -0.367 119.351 119.800 -0.136 0.000 1.990 334 Q HA 0.014 4.354 4.340 0.001 0.000 0.200 334 Q C 2.026 177.962 176.000 -0.108 0.000 0.980 334 Q CA 1.425 57.161 55.803 -0.112 0.000 0.832 334 Q CB -0.193 28.496 28.738 -0.083 0.000 0.897 334 Q HN 0.504 nan 8.270 nan 0.000 0.427 335 G N 0.338 109.085 108.800 -0.088 0.000 4.238 335 G HA2 0.222 4.183 3.960 0.001 0.000 0.292 335 G HA3 0.222 4.183 3.960 0.001 0.000 0.292 335 G C -0.289 174.623 174.900 0.020 0.000 1.036 335 G CA -0.284 44.809 45.100 -0.012 0.000 0.812 335 G HN 0.043 nan 8.290 nan 0.000 0.489 336 Q N -0.625 119.073 119.800 -0.169 0.000 2.297 336 Q HA 0.686 5.027 4.340 0.001 0.000 0.268 336 Q C -1.379 174.411 176.000 -0.351 0.000 1.045 336 Q CA -0.733 55.011 55.803 -0.099 0.000 0.861 336 Q CB 2.137 30.818 28.738 -0.095 0.000 1.344 336 Q HN 0.325 nan 8.270 nan 0.000 0.452 337 W N -0.442 120.893 121.300 0.058 0.000 3.167 337 W HA 0.460 5.120 4.660 0.001 0.000 0.324 337 W C -1.047 175.537 176.519 0.108 0.000 1.230 337 W CA -0.405 57.004 57.345 0.107 0.000 1.184 337 W CB 2.033 31.607 29.460 0.190 0.000 1.414 337 W HN 0.297 nan 8.180 nan 0.000 0.551 338 T N 2.122 116.848 114.554 0.287 0.000 2.881 338 T HA 0.424 4.775 4.350 0.001 0.000 0.291 338 T C -0.978 173.831 174.700 0.180 0.000 0.990 338 T CA -0.553 61.631 62.100 0.141 0.000 0.976 338 T CB 0.647 69.529 68.868 0.024 0.000 0.970 338 T HN 0.297 nan 8.240 nan 0.000 0.438 339 Y N 1.156 121.517 120.300 0.101 0.000 2.679 339 Y HA 0.826 5.376 4.550 0.001 0.000 0.331 339 Y C -0.305 175.590 175.900 -0.008 0.000 1.183 339 Y CA -1.434 56.691 58.100 0.042 0.000 1.290 339 Y CB 1.032 39.519 38.460 0.045 0.000 1.489 339 Y HN 0.652 nan 8.280 nan 0.000 0.583 340 Q N 0.301 120.172 119.800 0.118 0.000 3.004 340 Q HA 0.374 4.714 4.340 0.001 0.000 0.201 340 Q C -2.464 173.454 176.000 -0.136 0.000 0.932 340 Q CA -0.478 55.305 55.803 -0.032 0.000 1.222 340 Q CB -0.126 28.560 28.738 -0.086 0.000 1.718 340 Q HN 0.648 nan 8.270 nan 0.000 0.591 341 I N 3.844 124.371 120.570 -0.071 0.000 2.488 341 I HA 0.661 4.831 4.170 0.001 0.000 0.299 341 I C -0.154 175.854 176.117 -0.182 0.000 0.984 341 I CA -0.359 60.795 61.300 -0.242 0.000 1.250 341 I CB 0.817 38.744 38.000 -0.122 0.000 1.389 341 I HN 0.718 nan 8.210 nan 0.000 0.488 342 Y N 1.570 121.783 120.300 -0.146 0.000 2.967 342 Y HA 0.591 5.142 4.550 0.001 0.000 0.311 342 Y C -0.165 175.641 175.900 -0.156 0.000 1.555 342 Y CA -0.883 57.139 58.100 -0.129 0.000 1.084 342 Y CB 1.097 39.490 38.460 -0.111 0.000 1.508 342 Y HN 0.413 nan 8.280 nan 0.000 0.457 343 Q N -0.434 119.494 119.800 0.214 0.000 2.181 343 Q HA 0.314 4.655 4.340 0.001 0.000 0.244 343 Q C -0.941 175.040 176.000 -0.032 0.000 0.745 343 Q CA 0.103 55.942 55.803 0.059 0.000 0.934 343 Q CB 2.221 30.945 28.738 -0.024 0.000 1.220 343 Q HN 0.683 nan 8.270 nan 0.000 0.478 344 E N 0.607 120.732 120.200 -0.125 0.000 2.390 344 E HA 0.170 4.521 4.350 0.001 0.000 0.277 344 E C -2.191 174.218 176.600 -0.320 0.000 0.939 344 E CA -1.821 54.462 56.400 -0.196 0.000 0.769 344 E CB 2.643 32.277 29.700 -0.110 0.000 1.251 344 E HN -0.190 nan 8.360 nan 0.000 0.450 345 P HA -0.169 nan 4.420 nan 0.000 0.211 345 P C 0.741 177.799 177.300 -0.403 0.000 1.181 345 P CA 1.701 64.578 63.100 -0.372 0.000 0.929 345 P CB 0.070 31.806 31.700 0.060 0.000 0.789 346 F N -0.789 118.974 119.950 -0.312 0.000 2.693 346 F HA 0.222 4.749 4.527 0.001 0.000 0.303 346 F C 1.172 176.884 175.800 -0.148 0.000 1.097 346 F CA -0.132 57.754 58.000 -0.190 0.000 1.330 346 F CB -0.409 38.522 39.000 -0.115 0.000 1.067 346 F HN -0.247 nan 8.300 nan 0.000 0.565 347 K N 1.749 122.126 120.400 -0.039 0.000 2.183 347 K HA 0.101 4.422 4.320 0.001 0.000 0.272 347 K C -0.141 176.415 176.600 -0.073 0.000 1.113 347 K CA -0.391 55.844 56.287 -0.086 0.000 0.949 347 K CB -0.045 32.407 32.500 -0.081 0.000 1.365 347 K HN -0.041 nan 8.250 nan 0.000 0.420 348 N N 1.867 120.507 118.700 -0.101 0.000 2.395 348 N HA -0.065 4.676 4.740 0.001 0.000 0.246 348 N C 0.566 176.049 175.510 -0.044 0.000 1.246 348 N CA 0.020 53.044 53.050 -0.043 0.000 0.879 348 N CB 0.675 39.089 38.487 -0.122 0.000 1.098 348 N HN 0.350 nan 8.380 nan 0.000 0.444 349 L N 0.714 121.990 121.223 0.088 0.000 2.840 349 L HA 0.402 4.743 4.340 0.001 0.000 0.249 349 L C -0.327 176.783 176.870 0.399 0.000 1.119 349 L CA 0.902 55.880 54.840 0.230 0.000 0.930 349 L CB -0.086 42.093 42.059 0.201 0.000 1.295 349 L HN 0.435 nan 8.230 nan 0.000 0.534 350 K N -0.441 120.122 120.400 0.272 0.000 2.842 350 K HA 0.362 4.682 4.320 0.001 0.000 0.291 350 K C -1.249 175.421 176.600 0.116 0.000 1.089 350 K CA 0.585 57.040 56.287 0.280 0.000 0.883 350 K CB 0.483 33.194 32.500 0.352 0.000 1.423 350 K HN 0.074 nan 8.250 nan 0.000 0.368 351 T N -1.004 113.558 114.554 0.013 0.000 2.812 351 T HA 0.921 5.272 4.350 0.001 0.000 0.294 351 T C 0.054 174.488 174.700 -0.444 0.000 1.159 351 T CA 0.048 62.045 62.100 -0.172 0.000 1.008 351 T CB 2.229 70.991 68.868 -0.178 0.000 1.289 351 T HN 0.758 nan 8.240 nan 0.000 0.514 352 G N -0.383 107.728 108.800 -1.149 0.000 2.731 352 G HA2 0.663 4.623 3.960 0.001 0.000 0.309 352 G HA3 0.663 4.623 3.960 0.001 0.000 0.309 352 G C -1.848 172.543 174.900 -0.849 0.000 1.273 352 G CA -0.864 43.441 45.100 -1.325 0.000 0.798 352 G HN 0.820 nan 8.290 nan 0.000 0.509 353 K N -0.459 119.813 120.400 -0.213 0.000 2.636 353 K HA 0.310 4.630 4.320 0.001 0.000 0.286 353 K C -2.446 174.367 176.600 0.354 0.000 1.100 353 K CA -0.639 55.713 56.287 0.107 0.000 0.991 353 K CB 1.724 34.241 32.500 0.030 0.000 1.323 353 K HN 0.558 nan 8.250 nan 0.000 0.478 354 Y N 2.932 123.421 120.300 0.316 0.000 2.356 354 Y HA 0.569 5.120 4.550 0.001 0.000 0.334 354 Y C -0.314 175.741 175.900 0.259 0.000 0.958 354 Y CA -0.162 58.083 58.100 0.241 0.000 1.196 354 Y CB 1.789 40.347 38.460 0.163 0.000 1.137 354 Y HN 0.618 nan 8.280 nan 0.000 0.485 355 A N 5.964 128.566 122.820 -0.363 0.000 2.585 355 A HA 0.267 4.587 4.320 0.001 0.000 0.266 355 A C 0.648 177.978 177.584 -0.422 0.000 1.178 355 A CA -0.531 51.352 52.037 -0.257 0.000 0.966 355 A CB -0.006 18.939 19.000 -0.092 0.000 1.170 355 A HN 0.701 nan 8.150 nan 0.000 0.558 356 R N 0.657 120.650 120.500 -0.845 0.000 2.623 356 R HA 0.205 4.546 4.340 0.001 0.000 0.271 356 R C -0.420 175.744 176.300 -0.226 0.000 1.043 356 R CA 0.365 56.198 56.100 -0.445 0.000 1.083 356 R CB 0.199 30.315 30.300 -0.307 0.000 0.974 356 R HN 0.215 nan 8.270 nan 0.000 0.436 357 M N 6.275 125.821 119.600 -0.091 0.000 2.268 357 M HA 0.185 4.666 4.480 0.001 0.000 0.340 357 M C -0.629 175.670 176.300 -0.001 0.000 1.099 357 M CA -0.271 55.008 55.300 -0.034 0.000 1.053 357 M CB 0.835 33.413 32.600 -0.037 0.000 1.284 357 M HN 0.487 nan 8.290 nan 0.000 0.410 358 R N 0.773 121.292 120.500 0.031 0.000 2.247 358 R HA 0.794 5.135 4.340 0.001 0.000 0.329 358 R C -0.054 176.269 176.300 0.038 0.000 1.014 358 R CA -0.431 55.694 56.100 0.042 0.000 0.907 358 R CB 0.684 31.027 30.300 0.071 0.000 1.146 358 R HN 0.662 nan 8.270 nan 0.000 0.499 359 G N 0.678 109.488 108.800 0.018 0.000 2.335 359 G HA2 0.223 4.183 3.960 0.001 0.000 0.592 359 G HA3 0.223 4.183 3.960 0.001 0.000 0.592 359 G C -0.061 174.797 174.900 -0.071 0.000 1.442 359 G CA -0.423 44.682 45.100 0.007 0.000 0.976 359 G HN 0.562 nan 8.290 nan 0.000 0.652 360 A N 0.054 122.774 122.820 -0.167 0.000 1.935 360 A HA 0.396 4.717 4.320 0.001 0.000 0.214 360 A C 0.910 178.124 177.584 -0.617 0.000 1.178 360 A CA 1.492 53.263 52.037 -0.443 0.000 0.640 360 A CB -0.182 18.434 19.000 -0.641 0.000 0.825 360 A HN 0.919 nan 8.150 nan 0.000 0.447 361 H N -1.302 117.798 119.070 0.050 0.000 2.589 361 H HA 0.594 5.150 4.556 0.001 0.000 0.351 361 H C -1.026 174.329 175.328 0.046 0.000 1.074 361 H CA -0.071 56.002 56.048 0.042 0.000 1.203 361 H CB 1.503 31.293 29.762 0.046 0.000 1.558 361 H HN 0.155 nan 8.280 nan 0.000 0.522 362 T N 1.677 116.302 114.554 0.118 0.000 2.787 362 T HA 0.351 4.702 4.350 0.001 0.000 0.297 362 T C -1.070 173.648 174.700 0.029 0.000 1.221 362 T CA -0.873 61.264 62.100 0.063 0.000 1.006 362 T CB 1.902 70.792 68.868 0.037 0.000 1.328 362 T HN 0.877 nan 8.240 nan 0.000 0.509 363 N N -0.064 118.610 118.700 -0.044 0.000 2.577 363 N HA 0.440 5.181 4.740 0.001 0.000 0.285 363 N C 0.055 175.521 175.510 -0.073 0.000 1.309 363 N CA -0.689 52.324 53.050 -0.061 0.000 0.798 363 N CB 0.504 38.925 38.487 -0.110 0.000 1.463 363 N HN 0.348 nan 8.380 nan 0.000 0.518 364 D N -0.566 119.841 120.400 0.011 0.000 2.311 364 D HA -0.063 4.577 4.640 0.001 0.000 0.212 364 D C 1.245 177.545 176.300 -0.000 0.000 0.972 364 D CA 0.861 54.947 54.000 0.144 0.000 0.887 364 D CB 0.005 40.944 40.800 0.231 0.000 0.915 364 D HN 0.359 nan 8.370 nan 0.000 0.497 365 V N 0.108 119.838 119.914 -0.306 0.000 3.052 365 V HA -0.059 4.061 4.120 0.001 0.000 0.254 365 V C 2.089 177.827 176.094 -0.594 0.000 1.100 365 V CA 0.918 62.896 62.300 -0.536 0.000 1.112 365 V CB -0.102 31.118 31.823 -1.006 0.000 0.738 365 V HN 0.036 nan 8.190 nan 0.000 0.469 366 K N -0.160 119.932 120.400 -0.513 0.000 2.166 366 K HA 0.005 4.325 4.320 0.001 0.000 0.201 366 K C 2.279 178.739 176.600 -0.233 0.000 1.052 366 K CA 0.607 56.694 56.287 -0.332 0.000 0.969 366 K CB -0.056 32.304 32.500 -0.233 0.000 0.761 366 K HN 0.455 nan 8.250 nan 0.000 0.459 367 Q N 0.768 120.466 119.800 -0.171 0.000 2.096 367 Q HA -0.163 4.178 4.340 0.001 0.000 0.204 367 Q C 2.047 177.617 176.000 -0.718 0.000 0.982 367 Q CA 0.975 56.662 55.803 -0.194 0.000 0.850 367 Q CB -0.226 28.623 28.738 0.185 0.000 0.901 367 Q HN 0.279 nan 8.270 nan 0.000 0.422 368 L N 0.979 121.722 121.223 -0.801 0.000 2.042 368 L HA -0.162 4.178 4.340 0.001 0.000 0.210 368 L C 1.952 178.398 176.870 -0.707 0.000 1.076 368 L CA 1.783 56.025 54.840 -0.996 0.000 0.749 368 L CB -0.831 40.880 42.059 -0.579 0.000 0.893 368 L HN 0.259 nan 8.230 nan 0.000 0.432 369 T N -0.121 114.134 114.554 -0.498 0.000 2.777 369 T HA -0.176 4.174 4.350 0.001 0.000 0.266 369 T C 1.665 176.115 174.700 -0.417 0.000 1.040 369 T CA 1.562 63.429 62.100 -0.389 0.000 1.141 369 T CB -0.034 68.731 68.868 -0.171 0.000 0.868 369 T HN 0.442 nan 8.240 nan 0.000 0.444 370 E N 1.239 121.193 120.200 -0.410 0.000 2.031 370 E HA -0.052 4.298 4.350 0.001 0.000 0.193 370 E C 2.608 178.713 176.600 -0.825 0.000 0.994 370 E CA 1.030 57.148 56.400 -0.470 0.000 0.800 370 E CB -0.296 29.243 29.700 -0.269 0.000 0.752 370 E HN 0.442 nan 8.360 nan 0.000 0.447 371 A N 1.108 123.343 122.820 -0.975 0.000 1.873 371 A HA -0.214 4.106 4.320 0.001 0.000 0.218 371 A C 2.559 179.757 177.584 -0.643 0.000 1.193 371 A CA 1.743 53.223 52.037 -0.929 0.000 0.629 371 A CB -1.012 17.576 19.000 -0.687 0.000 0.826 371 A HN 0.147 nan 8.150 nan 0.000 0.447 372 V N -0.488 119.054 119.914 -0.619 0.000 2.469 372 V HA -0.335 3.786 4.120 0.001 0.000 0.251 372 V C 2.653 178.447 176.094 -0.500 0.000 1.064 372 V CA 2.415 64.327 62.300 -0.646 0.000 1.066 372 V CB -0.886 30.387 31.823 -0.917 0.000 0.667 372 V HN 0.661 nan 8.190 nan 0.000 0.461 373 Q N -0.281 119.245 119.800 -0.455 0.000 2.079 373 Q HA -0.200 4.141 4.340 0.001 0.000 0.200 373 Q C 2.287 178.120 176.000 -0.278 0.000 0.974 373 Q CA 1.722 57.336 55.803 -0.315 0.000 0.840 373 Q CB -0.167 28.409 28.738 -0.269 0.000 0.898 373 Q HN 0.497 nan 8.270 nan 0.000 0.430 374 K N 0.749 120.912 120.400 -0.395 0.000 2.001 374 K HA -0.091 4.230 4.320 0.001 0.000 0.208 374 K C 1.635 178.071 176.600 -0.273 0.000 1.048 374 K CA 1.487 57.583 56.287 -0.318 0.000 0.932 374 K CB -0.471 31.779 32.500 -0.416 0.000 0.715 374 K HN 0.217 nan 8.250 nan 0.000 0.437 375 I N 0.556 120.904 120.570 -0.371 0.000 2.335 375 I HA -0.312 3.859 4.170 0.001 0.000 0.251 375 I C 1.920 177.978 176.117 -0.097 0.000 1.129 375 I CA 1.501 62.590 61.300 -0.350 0.000 1.402 375 I CB -0.531 37.254 38.000 -0.359 0.000 1.069 375 I HN 0.243 nan 8.210 nan 0.000 0.424 376 T N 0.009 114.545 114.554 -0.029 0.000 2.612 376 T HA -0.162 4.189 4.350 0.001 0.000 0.259 376 T C 1.946 176.652 174.700 0.010 0.000 1.065 376 T CA 2.156 64.289 62.100 0.055 0.000 1.167 376 T CB -0.447 68.438 68.868 0.029 0.000 0.863 376 T HN 0.311 nan 8.240 nan 0.000 0.407 377 T N 1.759 116.297 114.554 -0.027 0.000 2.680 377 T HA -0.203 4.148 4.350 0.001 0.000 0.268 377 T C 1.896 176.577 174.700 -0.033 0.000 1.033 377 T CA 1.818 63.905 62.100 -0.022 0.000 1.152 377 T CB -0.376 68.472 68.868 -0.033 0.000 0.859 377 T HN 0.530 nan 8.240 nan 0.000 0.452 378 E N 0.509 120.675 120.200 -0.058 0.000 2.051 378 E HA -0.142 4.209 4.350 0.001 0.000 0.192 378 E C 2.379 178.922 176.600 -0.094 0.000 0.991 378 E CA 1.391 57.740 56.400 -0.084 0.000 0.799 378 E CB -0.131 29.511 29.700 -0.098 0.000 0.748 378 E HN 0.385 nan 8.360 nan 0.000 0.449 379 S N 0.432 116.146 115.700 0.022 0.000 2.370 379 S HA -0.187 4.284 4.470 0.001 0.000 0.226 379 S C 1.883 176.559 174.600 0.126 0.000 1.033 379 S CA 1.311 59.639 58.200 0.214 0.000 1.011 379 S CB -0.278 63.113 63.200 0.317 0.000 0.852 379 S HN 0.247 nan 8.310 nan 0.000 0.457 380 I N 0.953 121.559 120.570 0.059 0.000 2.335 380 I HA -0.126 4.045 4.170 0.001 0.000 0.251 380 I C 2.176 178.278 176.117 -0.025 0.000 1.129 380 I CA 0.790 62.111 61.300 0.034 0.000 1.402 380 I CB -0.585 37.432 38.000 0.028 0.000 1.069 380 I HN 0.106 nan 8.210 nan 0.000 0.424 381 V N 0.407 120.276 119.914 -0.074 0.000 2.270 381 V HA -0.247 3.874 4.120 0.001 0.000 0.245 381 V C 2.258 178.231 176.094 -0.202 0.000 1.043 381 V CA 1.980 64.212 62.300 -0.113 0.000 1.014 381 V CB -0.274 31.480 31.823 -0.114 0.000 0.645 381 V HN 0.287 nan 8.190 nan 0.000 0.447 382 I N -1.368 118.971 120.570 -0.386 0.000 2.141 382 I HA -0.189 3.982 4.170 0.001 0.000 0.236 382 I C 2.285 178.028 176.117 -0.622 0.000 1.071 382 I CA 1.720 62.621 61.300 -0.665 0.000 1.345 382 I CB -0.363 36.826 38.000 -1.352 0.000 1.066 382 I HN 0.375 nan 8.210 nan 0.000 0.406 383 W N 0.398 121.566 121.300 -0.220 0.000 2.942 383 W HA 0.292 4.953 4.660 0.001 0.000 0.263 383 W C 1.501 177.887 176.519 -0.222 0.000 1.296 383 W CA 0.839 57.955 57.345 -0.382 0.000 1.504 383 W CB -0.600 28.517 29.460 -0.572 0.000 1.096 383 W HN 0.429 nan 8.180 nan 0.000 0.639 384 G N 1.990 110.824 108.800 0.056 0.000 2.136 384 G HA2 -0.306 3.654 3.960 0.001 0.000 0.242 384 G HA3 -0.306 3.654 3.960 0.001 0.000 0.242 384 G C 0.091 175.041 174.900 0.083 0.000 0.989 384 G CA 0.779 45.908 45.100 0.049 0.000 0.682 384 G HN 0.395 nan 8.290 nan 0.000 0.522 385 K N -0.931 119.541 120.400 0.119 0.000 2.512 385 K HA 0.739 5.060 4.320 0.001 0.000 0.263 385 K C -0.103 176.555 176.600 0.097 0.000 0.966 385 K CA -0.314 56.034 56.287 0.101 0.000 0.851 385 K CB 1.091 33.652 32.500 0.102 0.000 1.395 385 K HN 0.220 nan 8.250 nan 0.000 0.440 386 T N 1.312 115.913 114.554 0.078 0.000 2.869 386 T HA 0.353 4.704 4.350 0.001 0.000 0.295 386 T C -2.255 172.449 174.700 0.007 0.000 0.987 386 T CA -1.288 60.856 62.100 0.073 0.000 1.109 386 T CB 0.678 69.610 68.868 0.107 0.000 0.932 386 T HN 0.415 nan 8.240 nan 0.000 0.518 387 P HA 0.411 nan 4.420 nan 0.000 0.279 387 P C -0.471 176.645 177.300 -0.306 0.000 1.282 387 P CA -0.879 62.043 63.100 -0.297 0.000 0.788 387 P CB 0.634 32.002 31.700 -0.552 0.000 1.139 388 K N -0.038 120.144 120.400 -0.363 0.000 2.164 388 K HA 0.525 4.845 4.320 0.001 0.000 0.258 388 K C -0.728 175.629 176.600 -0.406 0.000 0.951 388 K CA -0.378 55.777 56.287 -0.219 0.000 0.844 388 K CB 0.890 33.330 32.500 -0.101 0.000 1.099 388 K HN 0.289 nan 8.250 nan 0.000 0.435 389 F N 1.200 121.117 119.950 -0.056 0.000 2.497 389 F HA 0.465 4.992 4.527 0.001 0.000 0.331 389 F C 0.139 175.944 175.800 0.008 0.000 1.060 389 F CA -0.681 57.285 58.000 -0.056 0.000 0.989 389 F CB 1.603 40.552 39.000 -0.085 0.000 1.245 389 F HN 0.119 nan 8.300 nan 0.000 0.486 390 K N 2.789 123.292 120.400 0.171 0.000 2.565 390 K HA 0.642 4.962 4.320 0.001 0.000 0.249 390 K C -1.772 174.934 176.600 0.176 0.000 0.958 390 K CA -0.507 55.870 56.287 0.149 0.000 0.806 390 K CB 2.107 34.628 32.500 0.035 0.000 1.194 390 K HN 0.452 nan 8.250 nan 0.000 0.434 391 L N 2.721 124.109 121.223 0.276 0.000 2.408 391 L HA 0.465 4.806 4.340 0.001 0.000 0.268 391 L C -2.249 174.816 176.870 0.326 0.000 0.986 391 L CA -2.485 52.511 54.840 0.260 0.000 0.820 391 L CB 2.045 44.199 42.059 0.159 0.000 1.303 391 L HN 0.319 nan 8.230 nan 0.000 0.411 392 P HA 0.080 nan 4.420 nan 0.000 0.299 392 P C -0.473 177.098 177.300 0.452 0.000 1.515 392 P CA 1.069 64.350 63.100 0.302 0.000 0.770 392 P CB -0.152 31.689 31.700 0.234 0.000 1.614 393 I N -0.528 120.394 120.570 0.587 0.000 2.656 393 I HA 0.174 4.344 4.170 0.001 0.000 0.292 393 I C -0.680 175.656 176.117 0.365 0.000 1.144 393 I CA -1.100 60.438 61.300 0.396 0.000 1.038 393 I CB 2.216 40.339 38.000 0.204 0.000 1.244 393 I HN -0.233 nan 8.210 nan 0.000 0.420 394 Q N 5.740 125.506 119.800 -0.056 0.000 2.352 394 Q HA 0.113 4.453 4.340 0.001 0.000 0.260 394 Q C 0.286 176.320 176.000 0.056 0.000 0.976 394 Q CA -0.481 55.076 55.803 -0.411 0.000 0.881 394 Q CB 1.164 29.620 28.738 -0.469 0.000 1.235 394 Q HN 0.456 nan 8.270 nan 0.000 0.419 395 K N 2.164 122.535 120.400 -0.049 0.000 2.228 395 K HA -0.234 4.086 4.320 0.001 0.000 0.205 395 K C 1.153 177.918 176.600 0.275 0.000 1.045 395 K CA 1.741 58.084 56.287 0.093 0.000 0.931 395 K CB 0.200 32.611 32.500 -0.149 0.000 0.727 395 K HN 0.634 nan 8.250 nan 0.000 0.458 396 E N -1.639 118.649 120.200 0.146 0.000 2.042 396 E HA -0.023 4.327 4.350 0.001 0.000 0.189 396 E C 1.816 178.538 176.600 0.204 0.000 0.974 396 E CA 1.437 57.928 56.400 0.151 0.000 0.806 396 E CB -0.158 29.575 29.700 0.055 0.000 0.769 396 E HN 0.157 nan 8.360 nan 0.000 0.451 397 T N 1.220 115.872 114.554 0.163 0.000 2.653 397 T HA -0.274 4.077 4.350 0.001 0.000 0.267 397 T C 1.266 176.130 174.700 0.273 0.000 1.037 397 T CA 1.616 63.818 62.100 0.169 0.000 1.159 397 T CB -0.514 68.430 68.868 0.127 0.000 0.859 397 T HN 0.406 nan 8.240 nan 0.000 0.449 398 W N 1.820 123.225 121.300 0.175 0.000 2.315 398 W HA -0.228 4.433 4.660 0.001 0.000 0.323 398 W C 2.121 178.846 176.519 0.344 0.000 1.233 398 W CA 1.727 59.203 57.345 0.219 0.000 1.267 398 W CB -0.348 29.235 29.460 0.205 0.000 1.160 398 W HN 0.224 nan 8.180 nan 0.000 0.474 399 E N 0.176 120.594 120.200 0.364 0.000 2.097 399 E HA -0.199 4.151 4.350 0.001 0.000 0.196 399 E C 2.117 178.883 176.600 0.276 0.000 1.000 399 E CA 2.540 59.148 56.400 0.347 0.000 0.804 399 E CB -0.982 28.907 29.700 0.314 0.000 0.740 399 E HN 0.163 nan 8.360 nan 0.000 0.454 400 T N 0.448 115.108 114.554 0.177 0.000 2.516 400 T HA -0.239 4.111 4.350 0.001 0.000 0.261 400 T C 1.361 176.086 174.700 0.043 0.000 1.130 400 T CA 1.601 63.761 62.100 0.100 0.000 1.193 400 T CB -0.782 68.148 68.868 0.104 0.000 0.864 400 T HN 0.452 nan 8.240 nan 0.000 0.410 401 W N 1.393 122.600 121.300 -0.154 0.000 2.290 401 W HA -0.234 4.427 4.660 0.001 0.000 0.328 401 W C 2.369 178.689 176.519 -0.332 0.000 1.272 401 W CA 1.992 59.170 57.345 -0.279 0.000 1.262 401 W CB -0.592 28.641 29.460 -0.378 0.000 1.151 401 W HN 0.570 nan 8.180 nan 0.000 0.473 402 W N 2.368 123.330 121.300 -0.564 0.000 2.465 402 W HA -0.105 4.555 4.660 0.001 0.000 0.268 402 W C 1.609 177.920 176.519 -0.346 0.000 1.242 402 W CA 1.757 58.736 57.345 -0.609 0.000 1.248 402 W CB -1.140 27.915 29.460 -0.675 0.000 1.118 402 W HN -0.202 nan 8.180 nan 0.000 0.587 403 T N 1.968 116.079 114.554 -0.738 0.000 2.639 403 T HA -0.178 4.173 4.350 0.001 0.000 0.261 403 T C 1.570 175.930 174.700 -0.567 0.000 1.053 403 T CA 2.116 63.795 62.100 -0.701 0.000 1.158 403 T CB -0.169 68.557 68.868 -0.236 0.000 0.863 403 T HN 0.027 nan 8.240 nan 0.000 0.413 404 E N -0.024 119.932 120.200 -0.407 0.000 2.250 404 E HA 0.067 4.417 4.350 0.001 0.000 0.192 404 E C 0.346 176.737 176.600 -0.348 0.000 0.986 404 E CA -0.008 56.213 56.400 -0.298 0.000 0.849 404 E CB -0.274 29.322 29.700 -0.173 0.000 0.797 404 E HN 0.470 nan 8.360 nan 0.000 0.482 405 Y N 1.857 121.641 120.300 -0.859 0.000 2.620 405 Y HA -0.112 4.438 4.550 0.001 0.000 0.330 405 Y C 0.944 176.418 175.900 -0.710 0.000 1.186 405 Y CA -0.657 56.755 58.100 -1.147 0.000 1.467 405 Y CB 0.201 37.531 38.460 -1.883 0.000 1.262 405 Y HN 0.012 nan 8.280 nan 0.000 0.550 406 W N 1.657 122.492 121.300 -0.774 0.000 2.576 406 W HA 0.171 4.832 4.660 0.001 0.000 0.270 406 W C 0.309 176.450 176.519 -0.629 0.000 1.255 406 W CA -0.093 56.895 57.345 -0.595 0.000 1.314 406 W CB -0.487 28.713 29.460 -0.432 0.000 1.101 406 W HN 0.329 nan 8.180 nan 0.000 0.595 407 Q N 1.349 120.466 119.800 -1.138 0.000 2.368 407 Q HA 0.451 4.791 4.340 0.001 0.000 0.237 407 Q C -0.172 175.603 176.000 -0.376 0.000 0.987 407 Q CA 0.194 55.615 55.803 -0.637 0.000 0.896 407 Q CB 1.131 29.459 28.738 -0.683 0.000 1.241 407 Q HN 0.198 nan 8.270 nan 0.000 0.485 408 A N 2.037 124.780 122.820 -0.130 0.000 2.415 408 A HA 0.421 4.742 4.320 0.001 0.000 0.309 408 A C -0.080 177.593 177.584 0.147 0.000 1.356 408 A CA -0.146 51.895 52.037 0.007 0.000 0.998 408 A CB 0.005 19.023 19.000 0.030 0.000 1.145 408 A HN 0.548 nan 8.150 nan 0.000 0.545 409 T N 1.515 116.226 114.554 0.262 0.000 2.948 409 T HA 0.662 5.013 4.350 0.001 0.000 0.285 409 T C -1.593 173.492 174.700 0.642 0.000 1.019 409 T CA -0.315 62.035 62.100 0.417 0.000 1.013 409 T CB 0.755 69.908 68.868 0.475 0.000 1.117 409 T HN 0.912 nan 8.240 nan 0.000 0.533 410 W N 3.715 125.260 121.300 0.409 0.000 4.160 410 W HA 0.426 5.086 4.660 0.001 0.000 0.293 410 W C -2.153 174.409 176.519 0.072 0.000 1.210 410 W CA -0.684 56.889 57.345 0.381 0.000 1.365 410 W CB 0.321 29.904 29.460 0.205 0.000 1.114 410 W HN 0.599 nan 8.180 nan 0.000 0.434 411 I N 8.340 128.452 120.570 -0.763 0.000 2.472 411 I HA 0.332 4.503 4.170 0.001 0.000 0.290 411 I C -1.361 173.704 176.117 -1.753 0.000 1.016 411 I CA -1.784 58.720 61.300 -1.326 0.000 1.348 411 I CB 1.016 37.930 38.000 -1.809 0.000 1.417 411 I HN 0.139 nan 8.210 nan 0.000 0.521 412 P HA 0.084 nan 4.420 nan 0.000 0.278 412 P C -0.734 176.347 177.300 -0.366 0.000 1.266 412 P CA -0.614 61.859 63.100 -1.044 0.000 0.807 412 P CB 0.469 31.841 31.700 -0.548 0.000 1.094 413 E N 1.682 121.829 120.200 -0.088 0.000 3.580 413 E HA -0.143 4.207 4.350 0.001 0.000 0.260 413 E C -0.670 176.044 176.600 0.189 0.000 0.828 413 E CA 0.497 56.942 56.400 0.076 0.000 0.984 413 E CB -0.372 29.375 29.700 0.078 0.000 0.826 413 E HN 0.320 nan 8.360 nan 0.000 0.555 414 W N 3.358 124.579 121.300 -0.131 0.000 3.032 414 W HA 0.763 5.424 4.660 0.001 0.000 0.341 414 W C -1.024 175.458 176.519 -0.061 0.000 1.202 414 W CA -1.073 56.220 57.345 -0.086 0.000 1.132 414 W CB 0.978 30.314 29.460 -0.206 0.000 1.465 414 W HN 0.204 nan 8.180 nan 0.000 0.576 415 E N 1.142 121.287 120.200 -0.092 0.000 2.343 415 E HA 0.278 4.628 4.350 0.001 0.000 0.278 415 E C -1.647 174.901 176.600 -0.086 0.000 0.910 415 E CA -1.016 55.208 56.400 -0.293 0.000 0.757 415 E CB 2.771 32.381 29.700 -0.150 0.000 1.218 415 E HN 0.351 nan 8.360 nan 0.000 0.435 416 F N 3.568 123.336 119.950 -0.304 0.000 2.543 416 F HA 0.224 4.751 4.527 0.001 0.000 0.375 416 F C -0.092 175.707 175.800 -0.003 0.000 1.075 416 F CA -0.436 57.511 58.000 -0.087 0.000 1.225 416 F CB 0.256 39.193 39.000 -0.105 0.000 1.099 416 F HN 0.136 nan 8.300 nan 0.000 0.561 417 V N 3.412 123.015 119.914 -0.519 0.000 2.850 417 V HA 0.474 4.594 4.120 0.001 0.000 0.315 417 V C -0.211 175.199 176.094 -1.140 0.000 1.064 417 V CA -1.045 60.882 62.300 -0.622 0.000 0.979 417 V CB 1.736 33.418 31.823 -0.234 0.000 1.039 417 V HN 0.782 nan 8.190 nan 0.000 0.452 418 N N 1.155 119.428 118.700 -0.711 0.000 2.671 418 N HA 0.269 5.009 4.740 0.001 0.000 0.303 418 N C -0.098 175.310 175.510 -0.169 0.000 1.351 418 N CA -0.046 52.706 53.050 -0.497 0.000 0.991 418 N CB 0.203 38.533 38.487 -0.261 0.000 1.307 418 N HN 0.998 nan 8.380 nan 0.000 0.512 419 T N -1.014 113.464 114.554 -0.127 0.000 3.016 419 T HA 0.416 4.767 4.350 0.001 0.000 0.335 419 T C -2.571 172.135 174.700 0.011 0.000 1.176 419 T CA -2.186 59.890 62.100 -0.039 0.000 0.987 419 T CB 1.036 69.883 68.868 -0.034 0.000 1.073 419 T HN -0.048 nan 8.240 nan 0.000 0.547 420 P HA 0.200 nan 4.420 nan 0.000 0.267 420 P C -2.205 175.101 177.300 0.010 0.000 1.201 420 P CA -0.851 62.268 63.100 0.032 0.000 0.775 420 P CB -0.468 31.250 31.700 0.029 0.000 0.854 421 P HA 0.096 nan 4.420 nan 0.000 0.268 421 P C -0.380 176.955 177.300 0.059 0.000 1.205 421 P CA 0.261 63.377 63.100 0.027 0.000 0.771 421 P CB 0.360 32.068 31.700 0.013 0.000 0.858 422 L N 2.148 123.424 121.223 0.088 0.000 2.399 422 L HA 0.277 4.618 4.340 0.001 0.000 0.266 422 L C 0.099 177.044 176.870 0.125 0.000 1.114 422 L CA -0.948 53.978 54.840 0.143 0.000 0.804 422 L CB 1.161 43.321 42.059 0.168 0.000 1.146 422 L HN 0.109 nan 8.230 nan 0.000 0.451 423 V N 2.929 122.944 119.914 0.169 0.000 2.583 423 V HA 0.329 4.450 4.120 0.001 0.000 0.287 423 V C 0.096 176.243 176.094 0.088 0.000 1.051 423 V CA -0.326 62.071 62.300 0.161 0.000 1.010 423 V CB 1.107 33.050 31.823 0.200 0.000 0.988 423 V HN 0.861 nan 8.190 nan 0.000 0.478 424 K N 3.692 124.136 120.400 0.073 0.000 2.578 424 K HA 0.641 4.961 4.320 0.001 0.000 0.287 424 K C -1.789 174.849 176.600 0.063 0.000 1.010 424 K CA -1.108 55.176 56.287 -0.005 0.000 0.889 424 K CB 1.689 34.096 32.500 -0.154 0.000 1.514 424 K HN 0.337 nan 8.250 nan 0.000 0.424 425 L N 1.977 123.217 121.223 0.029 0.000 2.268 425 L HA 0.285 4.626 4.340 0.001 0.000 0.289 425 L C -0.188 176.763 176.870 0.135 0.000 1.064 425 L CA -0.688 54.204 54.840 0.087 0.000 0.824 425 L CB 0.056 42.133 42.059 0.031 0.000 1.202 425 L HN 0.624 nan 8.230 nan 0.000 0.433 426 W N 3.904 125.257 121.300 0.087 0.000 2.982 426 W HA 0.008 4.669 4.660 0.001 0.000 0.239 426 W C -0.041 176.700 176.519 0.371 0.000 1.303 426 W CA -0.086 57.378 57.345 0.199 0.000 1.448 426 W CB -0.767 28.824 29.460 0.218 0.000 1.133 426 W HN 0.502 nan 8.180 nan 0.000 0.698 427 Y N -3.213 117.206 120.300 0.199 0.000 2.673 427 Y HA 0.321 4.872 4.550 0.001 0.000 0.357 427 Y C -1.096 174.873 175.900 0.114 0.000 1.211 427 Y CA -2.128 56.051 58.100 0.131 0.000 1.307 427 Y CB -0.063 38.475 38.460 0.130 0.000 1.384 427 Y HN -0.291 nan 8.280 nan 0.000 0.499 428 Q N 3.103 122.958 119.800 0.091 0.000 2.266 428 Q HA 0.607 4.947 4.340 0.001 0.000 0.261 428 Q C -0.741 175.328 176.000 0.115 0.000 0.985 428 Q CA -0.992 54.823 55.803 0.021 0.000 0.873 428 Q CB 2.842 31.604 28.738 0.041 0.000 1.306 428 Q HN 0.886 nan 8.270 nan 0.000 0.447 429 L N 1.372 122.643 121.223 0.081 0.000 2.399 429 L HA 0.260 4.600 4.340 0.001 0.000 0.266 429 L C 0.654 177.589 176.870 0.108 0.000 1.114 429 L CA -0.622 54.286 54.840 0.113 0.000 0.804 429 L CB 0.587 42.693 42.059 0.078 0.000 1.146 429 L HN 0.339 nan 8.230 nan 0.000 0.451 430 E N 1.363 121.652 120.200 0.148 0.000 2.313 430 E HA 0.077 4.428 4.350 0.001 0.000 0.276 430 E C 0.356 177.117 176.600 0.268 0.000 1.031 430 E CA -0.067 56.449 56.400 0.194 0.000 0.857 430 E CB 1.347 31.187 29.700 0.234 0.000 1.040 430 E HN 0.393 nan 8.360 nan 0.000 0.408 431 K N 1.211 121.724 120.400 0.188 0.000 2.365 431 K HA -0.054 4.266 4.320 0.001 0.000 0.199 431 K C 0.261 177.007 176.600 0.244 0.000 1.045 431 K CA 0.771 57.173 56.287 0.192 0.000 0.962 431 K CB 0.279 32.832 32.500 0.089 0.000 0.759 431 K HN 0.203 nan 8.250 nan 0.000 0.469 432 E N -0.093 120.167 120.200 0.100 0.000 2.293 432 E HA 0.271 4.621 4.350 0.001 0.000 0.270 432 E C -2.732 173.501 176.600 -0.612 0.000 0.879 432 E CA -2.765 53.495 56.400 -0.234 0.000 0.756 432 E CB 1.680 31.313 29.700 -0.111 0.000 1.208 432 E HN -0.215 nan 8.360 nan 0.000 0.428 433 P HA 0.206 nan 4.420 nan 0.000 0.272 433 P C -0.294 176.846 177.300 -0.267 0.000 1.230 433 P CA -0.021 62.626 63.100 -0.755 0.000 0.788 433 P CB 0.643 31.982 31.700 -0.601 0.000 0.949 434 I N 1.319 121.813 120.570 -0.127 0.000 2.306 434 I HA 0.120 4.291 4.170 0.001 0.000 0.288 434 I C 0.209 176.304 176.117 -0.036 0.000 1.036 434 I CA -1.046 60.226 61.300 -0.048 0.000 1.221 434 I CB 1.118 39.120 38.000 0.004 0.000 1.385 434 I HN -0.003 nan 8.210 nan 0.000 0.472 435 V N 6.694 126.586 119.914 -0.037 0.000 2.557 435 V HA 0.215 4.336 4.120 0.001 0.000 0.301 435 V C 1.281 177.371 176.094 -0.008 0.000 1.026 435 V CA 1.362 63.648 62.300 -0.022 0.000 1.137 435 V CB 0.108 31.919 31.823 -0.020 0.000 0.917 435 V HN 1.169 nan 8.190 nan 0.000 0.484 436 G N 3.750 112.549 108.800 -0.001 0.000 2.475 436 G HA2 -0.108 3.853 3.960 0.001 0.000 0.209 436 G HA3 -0.108 3.853 3.960 0.001 0.000 0.209 436 G C 0.543 175.452 174.900 0.016 0.000 1.127 436 G CA 0.071 45.175 45.100 0.007 0.000 0.681 436 G HN 1.592 nan 8.290 nan 0.000 0.517 437 A N 1.512 124.343 122.820 0.018 0.000 2.492 437 A HA 0.519 4.839 4.320 0.001 0.000 0.254 437 A C 0.657 178.275 177.584 0.055 0.000 1.091 437 A CA 0.334 52.392 52.037 0.035 0.000 0.768 437 A CB -0.003 19.017 19.000 0.033 0.000 1.028 437 A HN 0.516 nan 8.150 nan 0.000 0.498 438 E N 1.725 121.978 120.200 0.089 0.000 2.829 438 E HA -0.055 4.296 4.350 0.001 0.000 0.264 438 E C -0.271 176.421 176.600 0.153 0.000 0.922 438 E CA 1.013 57.489 56.400 0.126 0.000 0.960 438 E CB 0.096 29.959 29.700 0.272 0.000 0.918 438 E HN 0.607 nan 8.360 nan 0.000 0.497 439 T N 4.232 118.814 114.554 0.046 0.000 2.738 439 T HA 0.287 4.637 4.350 0.001 0.000 0.298 439 T C -0.282 174.349 174.700 -0.115 0.000 0.962 439 T CA -0.465 61.618 62.100 -0.030 0.000 0.972 439 T CB -0.093 68.706 68.868 -0.115 0.000 0.928 439 T HN 0.163 nan 8.240 nan 0.000 0.474 440 F N 2.830 122.630 119.950 -0.249 0.000 2.411 440 F HA 0.381 4.908 4.527 0.001 0.000 0.350 440 F C 0.015 175.654 175.800 -0.268 0.000 1.114 440 F CA -1.192 56.697 58.000 -0.186 0.000 1.135 440 F CB 0.628 39.541 39.000 -0.146 0.000 1.120 440 F HN 0.528 nan 8.300 nan 0.000 0.495 441 Y N 3.751 124.123 120.300 0.119 0.000 2.385 441 Y HA 0.483 5.034 4.550 0.001 0.000 0.341 441 Y C 0.120 176.096 175.900 0.126 0.000 0.965 441 Y CA -0.997 57.156 58.100 0.089 0.000 1.180 441 Y CB 0.952 39.426 38.460 0.024 0.000 1.139 441 Y HN 0.384 nan 8.280 nan 0.000 0.502 442 V N -0.190 119.873 119.914 0.248 0.000 2.966 442 V HA 0.734 4.854 4.120 0.001 0.000 0.317 442 V C -0.607 175.566 176.094 0.131 0.000 1.070 442 V CA -0.591 61.835 62.300 0.211 0.000 1.008 442 V CB 2.228 34.168 31.823 0.195 0.000 1.070 442 V HN 0.750 nan 8.190 nan 0.000 0.457 443 D N 0.090 120.553 120.400 0.105 0.000 2.721 443 D HA 0.437 5.078 4.640 0.001 0.000 0.221 443 D C -0.794 175.542 176.300 0.059 0.000 1.208 443 D CA 0.146 54.181 54.000 0.058 0.000 0.755 443 D CB 2.014 42.824 40.800 0.017 0.000 1.732 443 D HN 1.172 nan 8.370 nan 0.000 0.490 444 G N 0.386 109.220 108.800 0.057 0.000 2.533 444 G HA2 0.850 4.810 3.960 0.001 0.000 0.304 444 G HA3 0.850 4.810 3.960 0.001 0.000 0.304 444 G C -1.329 173.599 174.900 0.047 0.000 1.263 444 G CA -0.200 44.933 45.100 0.056 0.000 0.964 444 G HN 0.531 nan 8.290 nan 0.000 0.479 445 A N -0.632 122.214 122.820 0.043 0.000 2.532 445 A HA 1.050 5.370 4.320 0.001 0.000 0.290 445 A C -0.550 177.055 177.584 0.035 0.000 1.143 445 A CA -0.284 51.779 52.037 0.043 0.000 0.728 445 A CB 1.891 20.918 19.000 0.046 0.000 1.317 445 A HN 2.394 nan 8.150 nan 0.000 0.414 446 A N 0.909 123.747 122.820 0.031 0.000 2.512 446 A HA 0.575 4.896 4.320 0.001 0.000 0.294 446 A C -1.190 176.404 177.584 0.018 0.000 1.054 446 A CA -0.590 51.461 52.037 0.023 0.000 0.756 446 A CB 0.865 19.877 19.000 0.020 0.000 1.293 446 A HN 1.016 nan 8.150 nan 0.000 0.395 447 N N 1.184 119.892 118.700 0.014 0.000 2.442 447 N HA 0.167 4.908 4.740 0.001 0.000 0.265 447 N C 1.146 176.661 175.510 0.008 0.000 1.138 447 N CA -0.191 52.865 53.050 0.010 0.000 0.956 447 N CB 0.948 39.440 38.487 0.008 0.000 1.067 447 N HN 0.681 nan 8.380 nan 0.000 0.474 448 R N 2.807 123.311 120.500 0.006 0.000 2.236 448 R HA 0.118 4.458 4.340 0.001 0.000 0.208 448 R C 0.876 177.178 176.300 0.003 0.000 1.036 448 R CA 0.821 56.923 56.100 0.004 0.000 1.001 448 R CB 0.001 30.303 30.300 0.003 0.000 0.896 448 R HN 0.513 nan 8.270 nan 0.000 0.464 449 E N 1.142 121.344 120.200 0.003 0.000 2.008 449 E HA -0.115 4.235 4.350 0.001 0.000 0.191 449 E C 1.805 178.408 176.600 0.004 0.000 0.986 449 E CA 2.016 58.417 56.400 0.003 0.000 0.807 449 E CB -0.136 29.565 29.700 0.002 0.000 0.766 449 E HN 0.565 nan 8.360 nan 0.000 0.450 450 T N -1.297 113.260 114.554 0.005 0.000 3.081 450 T HA 0.037 4.388 4.350 0.001 0.000 0.255 450 T C 0.861 175.565 174.700 0.007 0.000 1.113 450 T CA 0.128 62.231 62.100 0.005 0.000 1.082 450 T CB 0.134 69.005 68.868 0.005 0.000 0.939 450 T HN -0.042 nan 8.240 nan 0.000 0.506 451 K N 0.488 120.893 120.400 0.007 0.000 3.130 451 K HA -0.102 4.218 4.320 0.001 0.000 0.282 451 K C -0.443 176.164 176.600 0.011 0.000 1.145 451 K CA 0.275 56.567 56.287 0.009 0.000 0.831 451 K CB -1.922 30.583 32.500 0.008 0.000 1.226 451 K HN 0.393 nan 8.250 nan 0.000 0.478 452 L N 0.176 121.405 121.223 0.011 0.000 2.325 452 L HA 0.602 4.943 4.340 0.001 0.000 0.279 452 L C 1.365 178.243 176.870 0.015 0.000 1.054 452 L CA 0.289 55.136 54.840 0.013 0.000 0.804 452 L CB 1.383 43.448 42.059 0.010 0.000 1.200 452 L HN 0.271 nan 8.230 nan 0.000 0.436 453 G N 2.110 110.920 108.800 0.018 0.000 3.222 453 G HA2 0.744 4.705 3.960 0.001 0.000 0.263 453 G HA3 0.744 4.705 3.960 0.001 0.000 0.263 453 G C -1.417 173.496 174.900 0.022 0.000 1.312 453 G CA -0.374 44.739 45.100 0.022 0.000 0.934 453 G HN 0.420 nan 8.290 nan 0.000 0.577 454 K N -1.515 118.901 120.400 0.027 0.000 2.583 454 K HA 0.649 4.970 4.320 0.001 0.000 0.260 454 K C -1.063 175.557 176.600 0.033 0.000 0.931 454 K CA -0.199 56.102 56.287 0.023 0.000 0.849 454 K CB 2.325 34.833 32.500 0.013 0.000 1.347 454 K HN 0.964 nan 8.250 nan 0.000 0.425 455 A N 1.159 123.999 122.820 0.033 0.000 2.498 455 A HA 0.988 5.309 4.320 0.001 0.000 0.298 455 A C -0.734 176.868 177.584 0.030 0.000 1.075 455 A CA -0.199 51.869 52.037 0.052 0.000 0.714 455 A CB 1.906 20.953 19.000 0.079 0.000 1.299 455 A HN 0.806 nan 8.150 nan 0.000 0.407 456 G N -0.943 107.888 108.800 0.051 0.000 2.349 456 G HA2 0.652 4.613 3.960 0.001 0.000 0.294 456 G HA3 0.652 4.613 3.960 0.001 0.000 0.294 456 G C -1.415 173.544 174.900 0.099 0.000 1.380 456 G CA 0.240 45.336 45.100 -0.007 0.000 0.811 456 G HN 2.084 nan 8.290 nan 0.000 0.519 457 Y N -2.758 117.587 120.300 0.074 0.000 2.728 457 Y HA 0.880 5.431 4.550 0.001 0.000 0.330 457 Y C -1.053 174.839 175.900 -0.013 0.000 1.234 457 Y CA -2.017 56.132 58.100 0.082 0.000 1.070 457 Y CB 1.622 40.205 38.460 0.205 0.000 1.300 457 Y HN 0.974 nan 8.280 nan 0.000 0.467 458 V N 1.645 121.748 119.914 0.315 0.000 2.812 458 V HA 0.442 4.563 4.120 0.001 0.000 0.280 458 V C -0.726 175.385 176.094 0.028 0.000 1.324 458 V CA -0.002 62.374 62.300 0.126 0.000 0.933 458 V CB 1.676 33.556 31.823 0.095 0.000 1.091 458 V HN 1.279 nan 8.190 nan 0.000 0.455 459 T N 0.826 115.309 114.554 -0.117 0.000 2.938 459 T HA 0.464 4.815 4.350 0.001 0.000 0.285 459 T C 1.013 175.685 174.700 -0.046 0.000 1.028 459 T CA -0.337 61.624 62.100 -0.232 0.000 1.005 459 T CB 1.611 70.159 68.868 -0.533 0.000 1.157 459 T HN 0.499 nan 8.240 nan 0.000 0.550 460 N N 1.242 119.930 118.700 -0.020 0.000 2.106 460 N HA -0.110 4.630 4.740 0.001 0.000 0.188 460 N C 1.501 177.008 175.510 -0.006 0.000 1.029 460 N CA 0.867 53.931 53.050 0.023 0.000 0.848 460 N CB -0.711 37.797 38.487 0.034 0.000 1.007 460 N HN 0.597 nan 8.380 nan 0.000 0.423 461 R N 0.289 120.772 120.500 -0.028 0.000 2.447 461 R HA 0.017 4.357 4.340 0.001 0.000 0.215 461 R C 0.772 177.057 176.300 -0.025 0.000 1.130 461 R CA 0.680 56.766 56.100 -0.023 0.000 1.075 461 R CB -0.771 29.514 30.300 -0.025 0.000 0.824 461 R HN 0.535 nan 8.270 nan 0.000 0.484 462 G N 0.828 109.611 108.800 -0.028 0.000 2.160 462 G HA2 -0.345 3.616 3.960 0.001 0.000 0.244 462 G HA3 -0.345 3.616 3.960 0.001 0.000 0.244 462 G C -0.263 174.632 174.900 -0.009 0.000 1.022 462 G CA 0.014 45.105 45.100 -0.015 0.000 0.741 462 G HN 0.337 nan 8.290 nan 0.000 0.508 463 R N -0.448 120.044 120.500 -0.013 0.000 2.500 463 R HA 0.682 5.022 4.340 0.001 0.000 0.277 463 R C -0.063 176.304 176.300 0.112 0.000 1.026 463 R CA -0.386 55.751 56.100 0.062 0.000 1.058 463 R CB 0.857 31.212 30.300 0.091 0.000 1.078 463 R HN 0.417 nan 8.270 nan 0.000 0.509 464 Q N 1.397 121.218 119.800 0.035 0.000 2.444 464 Q HA 0.240 4.580 4.340 0.001 0.000 0.239 464 Q C -1.172 174.573 176.000 -0.425 0.000 0.853 464 Q CA -0.480 55.189 55.803 -0.223 0.000 0.856 464 Q CB 2.389 31.052 28.738 -0.124 0.000 1.413 464 Q HN 0.317 nan 8.270 nan 0.000 0.437 465 K N 0.658 120.443 120.400 -1.025 0.000 2.209 465 K HA 0.692 5.013 4.320 0.001 0.000 0.238 465 K C -0.605 175.741 176.600 -0.423 0.000 1.028 465 K CA -0.904 55.001 56.287 -0.638 0.000 0.935 465 K CB 1.762 33.866 32.500 -0.660 0.000 1.162 465 K HN 0.258 nan 8.250 nan 0.000 0.485 466 V N 1.793 121.572 119.914 -0.226 0.000 3.921 466 V HA 0.035 4.155 4.120 0.001 0.000 0.276 466 V C -1.215 174.837 176.094 -0.069 0.000 0.894 466 V CA -0.720 61.500 62.300 -0.133 0.000 1.302 466 V CB 0.947 32.705 31.823 -0.108 0.000 0.764 466 V HN 0.491 nan 8.190 nan 0.000 0.489 467 V N 3.110 122.996 119.914 -0.046 0.000 2.508 467 V HA 0.704 4.825 4.120 0.001 0.000 0.281 467 V C 0.689 176.783 176.094 0.000 0.000 1.041 467 V CA 0.700 62.991 62.300 -0.016 0.000 1.016 467 V CB 1.085 32.909 31.823 0.001 0.000 0.984 467 V HN 1.027 nan 8.190 nan 0.000 0.478 468 T N 4.951 119.506 114.554 0.002 0.000 2.728 468 T HA 0.624 4.974 4.350 0.001 0.000 0.296 468 T C -0.263 174.448 174.700 0.019 0.000 0.940 468 T CA -0.728 61.377 62.100 0.009 0.000 1.013 468 T CB 0.712 69.582 68.868 0.004 0.000 0.912 468 T HN 0.493 nan 8.240 nan 0.000 0.484 469 L N 2.829 124.068 121.223 0.026 0.000 2.448 469 L HA 0.801 5.141 4.340 0.001 0.000 0.258 469 L C 0.913 177.799 176.870 0.027 0.000 1.104 469 L CA -0.397 54.463 54.840 0.033 0.000 0.800 469 L CB 1.088 43.174 42.059 0.045 0.000 1.241 469 L HN 0.975 nan 8.230 nan 0.000 0.472 470 T N -1.095 113.475 114.554 0.027 0.000 2.864 470 T HA 0.290 4.640 4.350 0.001 0.000 0.299 470 T C -0.971 173.742 174.700 0.022 0.000 1.166 470 T CA -0.548 61.565 62.100 0.022 0.000 1.007 470 T CB 0.902 69.781 68.868 0.018 0.000 1.219 470 T HN 0.755 nan 8.240 nan 0.000 0.506 471 D N 1.681 122.092 120.400 0.018 0.000 3.142 471 D HA -0.157 4.483 4.640 0.001 0.000 0.221 471 D C -0.523 175.789 176.300 0.019 0.000 1.193 471 D CA 1.669 55.679 54.000 0.017 0.000 0.900 471 D CB -0.654 40.156 40.800 0.016 0.000 0.886 471 D HN 0.726 nan 8.370 nan 0.000 0.399 472 T N 0.296 114.860 114.554 0.017 0.000 2.731 472 T HA 0.683 5.033 4.350 0.001 0.000 0.300 472 T C -0.740 173.966 174.700 0.011 0.000 1.283 472 T CA 0.297 62.408 62.100 0.019 0.000 1.005 472 T CB 1.865 70.750 68.868 0.028 0.000 1.420 472 T HN 0.384 nan 8.240 nan 0.000 0.503 473 T N -0.099 114.459 114.554 0.007 0.000 2.916 473 T HA 0.490 4.840 4.350 0.001 0.000 0.292 473 T C 0.907 175.601 174.700 -0.011 0.000 1.064 473 T CA -0.829 61.265 62.100 -0.011 0.000 1.011 473 T CB 1.619 70.467 68.868 -0.034 0.000 1.152 473 T HN 0.466 nan 8.240 nan 0.000 0.510 474 N N 0.377 119.065 118.700 -0.020 0.000 2.039 474 N HA -0.148 4.592 4.740 0.001 0.000 0.193 474 N C 1.809 177.304 175.510 -0.025 0.000 1.044 474 N CA 1.650 54.696 53.050 -0.007 0.000 0.847 474 N CB -0.408 38.079 38.487 0.000 0.000 1.030 474 N HN 0.639 nan 8.380 nan 0.000 0.422 475 Q N 1.180 120.910 119.800 -0.117 0.000 2.156 475 Q HA -0.159 4.182 4.340 0.001 0.000 0.211 475 Q C 1.984 177.964 176.000 -0.033 0.000 0.995 475 Q CA 1.735 57.390 55.803 -0.247 0.000 0.877 475 Q CB -0.097 28.204 28.738 -0.728 0.000 0.920 475 Q HN 0.355 nan 8.270 nan 0.000 0.416 476 K N -0.614 119.783 120.400 -0.006 0.000 2.002 476 K HA -0.144 4.176 4.320 0.001 0.000 0.209 476 K C 2.337 179.001 176.600 0.107 0.000 1.048 476 K CA 1.756 58.090 56.287 0.079 0.000 0.930 476 K CB -0.456 32.077 32.500 0.054 0.000 0.714 476 K HN 0.490 nan 8.250 nan 0.000 0.438 477 T N -0.803 113.799 114.554 0.080 0.000 2.759 477 T HA -0.183 4.167 4.350 0.001 0.000 0.269 477 T C 1.877 176.644 174.700 0.112 0.000 1.042 477 T CA 1.482 63.636 62.100 0.089 0.000 1.140 477 T CB -0.187 68.720 68.868 0.065 0.000 0.864 477 T HN 0.161 nan 8.240 nan 0.000 0.455 478 E N 0.488 120.760 120.200 0.120 0.000 2.268 478 E HA 0.103 4.454 4.350 0.001 0.000 0.195 478 E C 1.933 178.631 176.600 0.164 0.000 0.995 478 E CA 0.549 57.032 56.400 0.140 0.000 0.836 478 E CB -0.355 29.439 29.700 0.157 0.000 0.763 478 E HN 0.548 nan 8.360 nan 0.000 0.491 479 L N 0.041 121.377 121.223 0.188 0.000 2.307 479 L HA -0.049 4.291 4.340 0.001 0.000 0.211 479 L C 2.164 179.131 176.870 0.160 0.000 1.099 479 L CA 0.403 55.339 54.840 0.161 0.000 0.816 479 L CB -0.032 42.136 42.059 0.183 0.000 0.952 479 L HN 0.156 nan 8.230 nan 0.000 0.455 480 Q N -0.340 119.566 119.800 0.175 0.000 2.167 480 Q HA -0.147 4.193 4.340 0.001 0.000 0.202 480 Q C 2.304 178.437 176.000 0.221 0.000 0.970 480 Q CA 1.541 57.480 55.803 0.227 0.000 0.855 480 Q CB -0.061 28.783 28.738 0.177 0.000 0.911 480 Q HN 0.529 nan 8.270 nan 0.000 0.438 481 A N 1.171 124.095 122.820 0.173 0.000 1.872 481 A HA -0.107 4.213 4.320 0.001 0.000 0.214 481 A C 2.094 179.787 177.584 0.181 0.000 1.187 481 A CA 0.753 52.894 52.037 0.174 0.000 0.614 481 A CB -0.618 18.473 19.000 0.151 0.000 0.826 481 A HN 0.275 nan 8.150 nan 0.000 0.442 482 I N -1.441 119.220 120.570 0.152 0.000 2.315 482 I HA -0.297 3.874 4.170 0.001 0.000 0.251 482 I C 2.486 178.689 176.117 0.143 0.000 1.125 482 I CA 1.730 63.098 61.300 0.113 0.000 1.392 482 I CB -0.416 37.632 38.000 0.080 0.000 1.065 482 I HN 0.527 nan 8.210 nan 0.000 0.424 483 Y N 1.702 122.019 120.300 0.028 0.000 2.184 483 Y HA -0.138 4.413 4.550 0.001 0.000 0.290 483 Y C 2.298 178.214 175.900 0.026 0.000 1.129 483 Y CA 1.176 59.284 58.100 0.012 0.000 1.144 483 Y CB -0.554 37.922 38.460 0.027 0.000 0.995 483 Y HN -0.008 nan 8.280 nan 0.000 0.513 484 L N -0.191 121.022 121.223 -0.016 0.000 1.971 484 L HA -0.314 4.026 4.340 0.001 0.000 0.215 484 L C 2.764 179.626 176.870 -0.014 0.000 1.072 484 L CA 1.711 56.546 54.840 -0.008 0.000 0.758 484 L CB -1.404 40.803 42.059 0.246 0.000 0.889 484 L HN 0.276 nan 8.230 nan 0.000 0.433 485 A N 0.048 122.880 122.820 0.021 0.000 1.917 485 A HA -0.224 4.096 4.320 0.001 0.000 0.219 485 A C 2.263 179.490 177.584 -0.596 0.000 1.182 485 A CA 1.825 53.663 52.037 -0.332 0.000 0.633 485 A CB -0.833 18.051 19.000 -0.193 0.000 0.819 485 A HN 0.408 nan 8.150 nan 0.000 0.448 486 L N -0.511 120.535 121.223 -0.295 0.000 2.141 486 L HA -0.204 4.136 4.340 0.001 0.000 0.209 486 L C 2.743 179.486 176.870 -0.213 0.000 1.094 486 L CA 1.597 56.289 54.840 -0.247 0.000 0.763 486 L CB -0.358 41.651 42.059 -0.083 0.000 0.908 486 L HN 0.761 nan 8.230 nan 0.000 0.437 487 Q N -2.150 117.536 119.800 -0.190 0.000 2.319 487 Q HA -0.011 4.329 4.340 0.001 0.000 0.202 487 Q C 0.298 176.220 176.000 -0.130 0.000 0.896 487 Q CA 0.346 56.056 55.803 -0.155 0.000 0.942 487 Q CB 0.327 28.936 28.738 -0.215 0.000 1.083 487 Q HN 0.268 nan 8.270 nan 0.000 0.510 488 D N 1.073 121.376 120.400 -0.161 0.000 2.433 488 D HA 0.053 4.693 4.640 0.001 0.000 0.211 488 D C -0.096 176.137 176.300 -0.112 0.000 1.114 488 D CA 0.271 54.225 54.000 -0.077 0.000 0.837 488 D CB 0.865 41.680 40.800 0.024 0.000 0.984 488 D HN 0.294 nan 8.370 nan 0.000 0.505 489 S N -0.532 114.976 115.700 -0.321 0.000 2.616 489 S HA 0.688 5.158 4.470 0.001 0.000 0.277 489 S C 0.824 175.333 174.600 -0.152 0.000 1.234 489 S CA -0.654 57.352 58.200 -0.324 0.000 1.028 489 S CB 2.230 65.001 63.200 -0.716 0.000 0.988 489 S HN 0.029 nan 8.310 nan 0.000 0.522 490 G N 0.430 109.187 108.800 -0.072 0.000 2.494 490 G HA2 0.396 4.356 3.960 0.001 0.000 0.270 490 G HA3 0.396 4.356 3.960 0.001 0.000 0.270 490 G C 0.442 175.310 174.900 -0.054 0.000 1.423 490 G CA -0.784 44.291 45.100 -0.043 0.000 1.055 490 G HN 0.595 nan 8.290 nan 0.000 0.536 491 L N -0.334 120.872 121.223 -0.028 0.000 2.362 491 L HA 0.148 4.488 4.340 0.001 0.000 0.219 491 L C 1.240 178.099 176.870 -0.018 0.000 1.134 491 L CA 1.214 56.041 54.840 -0.022 0.000 0.807 491 L CB -0.353 41.702 42.059 -0.007 0.000 0.927 491 L HN 0.434 nan 8.230 nan 0.000 0.447 492 E N -1.367 118.824 120.200 -0.016 0.000 2.222 492 E HA 0.594 4.944 4.350 0.001 0.000 0.267 492 E C -1.400 175.189 176.600 -0.018 0.000 0.884 492 E CA -0.401 55.994 56.400 -0.008 0.000 0.764 492 E CB 3.075 32.780 29.700 0.008 0.000 1.169 492 E HN -0.227 nan 8.360 nan 0.000 0.413 493 V N 3.514 123.415 119.914 -0.022 0.000 2.924 493 V HA 0.261 4.382 4.120 0.001 0.000 0.300 493 V C -1.614 174.486 176.094 0.011 0.000 1.227 493 V CA -0.747 61.530 62.300 -0.038 0.000 0.954 493 V CB 2.144 33.845 31.823 -0.203 0.000 1.055 493 V HN 0.684 nan 8.190 nan 0.000 0.429 494 N N 6.530 125.265 118.700 0.058 0.000 2.487 494 N HA 0.645 5.386 4.740 0.001 0.000 0.292 494 N C -1.054 174.484 175.510 0.046 0.000 1.108 494 N CA -0.376 52.737 53.050 0.105 0.000 0.956 494 N CB 2.327 40.898 38.487 0.140 0.000 1.176 494 N HN 0.552 nan 8.380 nan 0.000 0.484 495 I N 0.695 121.276 120.570 0.018 0.000 2.608 495 I HA 0.341 4.512 4.170 0.001 0.000 0.295 495 I C -0.618 175.478 176.117 -0.035 0.000 1.049 495 I CA -1.123 60.173 61.300 -0.006 0.000 1.063 495 I CB 2.342 40.329 38.000 -0.022 0.000 1.248 495 I HN 0.045 nan 8.210 nan 0.000 0.424 496 V N 3.700 123.581 119.914 -0.056 0.000 2.349 496 V HA 0.307 4.427 4.120 0.001 0.000 0.284 496 V C 0.080 176.204 176.094 0.049 0.000 1.014 496 V CA -0.364 61.931 62.300 -0.009 0.000 0.826 496 V CB 1.529 33.349 31.823 -0.005 0.000 1.009 496 V HN 0.834 nan 8.190 nan 0.000 0.431 497 T N 1.664 116.229 114.554 0.019 0.000 2.929 497 T HA 0.300 4.650 4.350 0.001 0.000 0.284 497 T C 0.894 175.519 174.700 -0.125 0.000 1.014 497 T CA -0.047 62.062 62.100 0.015 0.000 1.051 497 T CB 1.413 70.324 68.868 0.072 0.000 1.028 497 T HN 0.922 nan 8.240 nan 0.000 0.485 498 D N 1.548 121.861 120.400 -0.145 0.000 2.348 498 D HA 0.105 4.745 4.640 0.001 0.000 0.211 498 D C 0.655 176.948 176.300 -0.011 0.000 0.998 498 D CA -0.036 53.764 54.000 -0.333 0.000 0.873 498 D CB 0.228 40.872 40.800 -0.260 0.000 0.925 498 D HN 0.278 nan 8.370 nan 0.000 0.524 499 S N -0.088 115.718 115.700 0.177 0.000 2.439 499 S HA 0.090 4.561 4.470 0.001 0.000 0.282 499 S C 0.914 175.751 174.600 0.395 0.000 1.170 499 S CA -0.548 57.834 58.200 0.305 0.000 1.054 499 S CB 1.062 64.403 63.200 0.234 0.000 0.956 499 S HN 0.197 nan 8.310 nan 0.000 0.490 500 Q N 3.178 123.202 119.800 0.373 0.000 2.124 500 Q HA -0.171 4.170 4.340 0.001 0.000 0.202 500 Q C 1.338 177.378 176.000 0.067 0.000 0.977 500 Q CA 1.813 57.650 55.803 0.058 0.000 0.850 500 Q CB -0.293 28.389 28.738 -0.093 0.000 0.901 500 Q HN 0.992 nan 8.270 nan 0.000 0.429 501 Y N 0.756 121.078 120.300 0.038 0.000 2.151 501 Y HA -0.318 4.233 4.550 0.001 0.000 0.284 501 Y C 2.029 177.941 175.900 0.019 0.000 1.166 501 Y CA 1.637 59.753 58.100 0.027 0.000 1.163 501 Y CB -0.409 38.078 38.460 0.045 0.000 0.974 501 Y HN 0.074 nan 8.280 nan 0.000 0.511 502 A N 0.006 122.767 122.820 -0.097 0.000 1.874 502 A HA -0.080 4.240 4.320 0.001 0.000 0.214 502 A C 2.133 179.632 177.584 -0.143 0.000 1.189 502 A CA 1.302 53.217 52.037 -0.203 0.000 0.615 502 A CB -1.212 17.799 19.000 0.020 0.000 0.830 502 A HN 0.506 nan 8.150 nan 0.000 0.443 503 L N 0.452 121.649 121.223 -0.043 0.000 2.127 503 L HA -0.060 4.280 4.340 0.001 0.000 0.211 503 L C 2.262 179.055 176.870 -0.128 0.000 1.089 503 L CA 2.078 56.882 54.840 -0.061 0.000 0.757 503 L CB -0.929 41.108 42.059 -0.037 0.000 0.899 503 L HN 0.319 nan 8.230 nan 0.000 0.434 504 G N -0.428 108.276 108.800 -0.159 0.000 2.414 504 G HA2 -0.212 3.749 3.960 0.001 0.000 0.215 504 G HA3 -0.212 3.749 3.960 0.001 0.000 0.215 504 G C 1.632 176.528 174.900 -0.006 0.000 1.188 504 G CA 0.956 45.975 45.100 -0.134 0.000 0.783 504 G HN 0.433 nan 8.290 nan 0.000 0.537 505 I N 0.644 121.122 120.570 -0.153 0.000 2.118 505 I HA -0.204 3.966 4.170 0.001 0.000 0.241 505 I C 2.703 178.811 176.117 -0.015 0.000 1.070 505 I CA 1.245 62.442 61.300 -0.172 0.000 1.327 505 I CB -0.220 37.487 38.000 -0.490 0.000 1.034 505 I HN 0.160 nan 8.210 nan 0.000 0.405 506 I N -0.047 120.512 120.570 -0.019 0.000 2.353 506 I HA -0.233 3.937 4.170 0.001 0.000 0.248 506 I C 2.496 178.706 176.117 0.155 0.000 1.119 506 I CA 0.932 62.276 61.300 0.074 0.000 1.417 506 I CB -0.479 37.549 38.000 0.047 0.000 1.078 506 I HN 0.310 nan 8.210 nan 0.000 0.421 507 Q N 0.914 120.816 119.800 0.170 0.000 2.248 507 Q HA -0.194 4.146 4.340 0.001 0.000 0.208 507 Q C 2.259 178.503 176.000 0.407 0.000 0.984 507 Q CA 1.679 57.654 55.803 0.285 0.000 0.875 507 Q CB -0.243 28.644 28.738 0.247 0.000 0.910 507 Q HN 0.581 nan 8.270 nan 0.000 0.433 508 A N 0.313 123.381 122.820 0.413 0.000 2.169 508 A HA -0.063 4.257 4.320 0.001 0.000 0.212 508 A C 0.313 177.987 177.584 0.150 0.000 1.153 508 A CA 0.114 52.294 52.037 0.239 0.000 0.756 508 A CB 0.159 19.346 19.000 0.311 0.000 0.813 508 A HN 0.399 nan 8.150 nan 0.000 0.471 509 Q N -1.179 118.690 119.800 0.116 0.000 2.454 509 Q HA -0.099 4.242 4.340 0.001 0.000 0.307 509 Q C -2.524 173.519 176.000 0.072 0.000 1.430 509 Q CA 0.346 56.140 55.803 -0.015 0.000 0.786 509 Q CB -1.815 26.860 28.738 -0.105 0.000 1.115 509 Q HN 0.570 nan 8.270 nan 0.000 0.389 510 P HA 0.011 nan 4.420 nan 0.000 0.275 510 P C -0.155 177.239 177.300 0.156 0.000 1.227 510 P CA 0.353 63.538 63.100 0.142 0.000 0.781 510 P CB 0.782 32.569 31.700 0.144 0.000 0.906 511 D N 0.532 120.965 120.400 0.055 0.000 2.449 511 D HA 0.038 4.679 4.640 0.001 0.000 0.210 511 D C 0.263 176.502 176.300 -0.101 0.000 1.094 511 D CA 0.284 54.247 54.000 -0.061 0.000 0.846 511 D CB 0.203 40.890 40.800 -0.188 0.000 1.003 511 D HN 0.522 nan 8.370 nan 0.000 0.504 512 Q N -0.556 119.228 119.800 -0.026 0.000 2.435 512 Q HA 0.650 4.991 4.340 0.001 0.000 0.282 512 Q C -1.217 174.804 176.000 0.034 0.000 1.020 512 Q CA -1.068 54.719 55.803 -0.026 0.000 0.820 512 Q CB 2.185 30.894 28.738 -0.048 0.000 1.436 512 Q HN 0.052 nan 8.270 nan 0.000 0.395 513 S N -0.477 115.241 115.700 0.029 0.000 2.615 513 S HA 0.286 4.757 4.470 0.001 0.000 0.269 513 S C -0.187 174.396 174.600 -0.029 0.000 1.161 513 S CA -0.691 57.526 58.200 0.029 0.000 0.817 513 S CB 1.456 64.840 63.200 0.307 0.000 1.131 513 S HN 0.740 nan 8.310 nan 0.000 0.467 514 E N 0.673 120.815 120.200 -0.097 0.000 2.347 514 E HA 0.046 4.396 4.350 0.001 0.000 0.196 514 E C 0.516 177.108 176.600 -0.014 0.000 1.008 514 E CA 0.684 57.048 56.400 -0.061 0.000 0.852 514 E CB 0.098 29.749 29.700 -0.081 0.000 0.783 514 E HN 0.496 nan 8.360 nan 0.000 0.505 515 S N 0.488 116.206 115.700 0.029 0.000 2.525 515 S HA 0.050 4.520 4.470 0.001 0.000 0.278 515 S C 0.832 175.443 174.600 0.020 0.000 1.234 515 S CA -0.561 57.674 58.200 0.059 0.000 1.058 515 S CB 1.477 64.767 63.200 0.150 0.000 0.983 515 S HN 0.017 nan 8.310 nan 0.000 0.495 516 E N 3.638 123.838 120.200 -0.000 0.000 2.106 516 E HA -0.075 4.276 4.350 0.001 0.000 0.192 516 E C 1.636 178.188 176.600 -0.080 0.000 0.984 516 E CA 1.137 57.517 56.400 -0.033 0.000 0.806 516 E CB -0.389 29.299 29.700 -0.020 0.000 0.750 516 E HN 0.643 nan 8.360 nan 0.000 0.458 517 L N -0.117 121.066 121.223 -0.068 0.000 2.012 517 L HA -0.126 4.214 4.340 0.001 0.000 0.210 517 L C 2.275 179.027 176.870 -0.197 0.000 1.073 517 L CA 1.578 56.328 54.840 -0.151 0.000 0.748 517 L CB -0.761 41.270 42.059 -0.047 0.000 0.891 517 L HN 0.112 nan 8.230 nan 0.000 0.431 518 V N -0.265 119.604 119.914 -0.074 0.000 2.667 518 V HA -0.180 3.941 4.120 0.001 0.000 0.252 518 V C 2.309 178.353 176.094 -0.084 0.000 1.065 518 V CA 1.353 63.611 62.300 -0.070 0.000 1.083 518 V CB -0.829 31.009 31.823 0.025 0.000 0.692 518 V HN 0.469 nan 8.190 nan 0.000 0.468 519 N N 0.223 118.877 118.700 -0.076 0.000 2.188 519 N HA -0.149 4.591 4.740 0.001 0.000 0.184 519 N C 1.956 177.383 175.510 -0.137 0.000 1.018 519 N CA 1.341 54.338 53.050 -0.087 0.000 0.858 519 N CB -0.157 38.288 38.487 -0.070 0.000 0.989 519 N HN 0.590 nan 8.380 nan 0.000 0.426 520 Q N 0.197 119.874 119.800 -0.205 0.000 2.016 520 Q HA 0.049 4.390 4.340 0.001 0.000 0.200 520 Q C 2.046 177.888 176.000 -0.263 0.000 0.978 520 Q CA 0.915 56.563 55.803 -0.258 0.000 0.833 520 Q CB -0.089 28.369 28.738 -0.466 0.000 0.895 520 Q HN 0.356 nan 8.270 nan 0.000 0.427 521 I N 0.742 121.101 120.570 -0.352 0.000 2.502 521 I HA -0.280 3.891 4.170 0.001 0.000 0.258 521 I C 1.932 177.956 176.117 -0.156 0.000 1.172 521 I CA 1.028 62.206 61.300 -0.202 0.000 1.430 521 I CB -0.218 37.684 38.000 -0.163 0.000 1.086 521 I HN 0.276 nan 8.210 nan 0.000 0.440 522 I N 0.036 120.511 120.570 -0.158 0.000 2.400 522 I HA -0.198 3.972 4.170 0.001 0.000 0.248 522 I C 2.466 178.461 176.117 -0.202 0.000 1.109 522 I CA 0.807 61.999 61.300 -0.179 0.000 1.425 522 I CB -0.325 37.616 38.000 -0.099 0.000 1.094 522 I HN 0.222 nan 8.210 nan 0.000 0.425 523 E N 0.986 121.102 120.200 -0.140 0.000 2.026 523 E HA -0.313 4.038 4.350 0.001 0.000 0.206 523 E C 2.207 178.754 176.600 -0.089 0.000 1.028 523 E CA 1.659 58.002 56.400 -0.096 0.000 0.845 523 E CB -0.010 29.656 29.700 -0.056 0.000 0.772 523 E HN 0.301 nan 8.360 nan 0.000 0.462 524 Q N 0.007 119.774 119.800 -0.056 0.000 2.248 524 Q HA -0.166 4.175 4.340 0.001 0.000 0.208 524 Q C 2.293 178.223 176.000 -0.116 0.000 0.984 524 Q CA 0.968 56.747 55.803 -0.041 0.000 0.875 524 Q CB -0.147 28.614 28.738 0.039 0.000 0.910 524 Q HN 0.446 nan 8.270 nan 0.000 0.433 525 L N -0.512 120.573 121.223 -0.231 0.000 2.156 525 L HA -0.111 4.229 4.340 0.001 0.000 0.208 525 L C 2.218 178.864 176.870 -0.374 0.000 1.095 525 L CA 0.523 55.129 54.840 -0.391 0.000 0.770 525 L CB -0.200 41.390 42.059 -0.782 0.000 0.914 525 L HN 0.194 nan 8.230 nan 0.000 0.439 526 I N -0.318 120.080 120.570 -0.286 0.000 2.202 526 I HA -0.279 3.891 4.170 0.001 0.000 0.242 526 I C 2.373 178.501 176.117 0.018 0.000 1.091 526 I CA 1.183 62.457 61.300 -0.043 0.000 1.368 526 I CB -0.263 37.798 38.000 0.101 0.000 1.058 526 I HN 0.165 nan 8.210 nan 0.000 0.410 527 K N 0.661 121.058 120.400 -0.006 0.000 2.286 527 K HA -0.163 4.157 4.320 0.001 0.000 0.203 527 K C 0.921 177.519 176.600 -0.003 0.000 1.045 527 K CA 0.908 57.198 56.287 0.006 0.000 0.935 527 K CB -0.179 32.318 32.500 -0.004 0.000 0.737 527 K HN 0.080 nan 8.250 nan 0.000 0.460 528 K N 0.737 121.122 120.400 -0.024 0.000 2.149 528 K HA 0.025 4.345 4.320 0.001 0.000 0.245 528 K C 1.170 177.777 176.600 0.013 0.000 1.024 528 K CA 0.425 56.701 56.287 -0.020 0.000 0.899 528 K CB 0.586 33.062 32.500 -0.041 0.000 1.038 528 K HN -0.066 nan 8.250 nan 0.000 0.496 529 E N 0.840 121.048 120.200 0.015 0.000 2.228 529 E HA 0.088 4.438 4.350 0.001 0.000 0.197 529 E C -0.461 176.166 176.600 0.045 0.000 0.909 529 E CA 0.729 57.147 56.400 0.029 0.000 0.911 529 E CB 0.528 30.239 29.700 0.019 0.000 0.887 529 E HN 0.349 nan 8.360 nan 0.000 0.481 530 K N 0.812 121.237 120.400 0.042 0.000 2.535 530 K HA 0.483 4.803 4.320 0.001 0.000 0.251 530 K C -1.170 175.467 176.600 0.063 0.000 0.942 530 K CA -0.386 55.938 56.287 0.062 0.000 0.798 530 K CB 3.198 35.732 32.500 0.056 0.000 1.267 530 K HN -0.197 nan 8.250 nan 0.000 0.434 531 V N 2.451 122.420 119.914 0.091 0.000 2.769 531 V HA 0.406 4.527 4.120 0.001 0.000 0.312 531 V C -1.462 174.720 176.094 0.147 0.000 1.061 531 V CA -0.853 61.499 62.300 0.086 0.000 0.931 531 V CB 1.767 33.624 31.823 0.057 0.000 1.010 531 V HN 0.755 nan 8.190 nan 0.000 0.433 532 Y N 4.405 124.714 120.300 0.014 0.000 2.363 532 Y HA 0.638 5.188 4.550 0.001 0.000 0.325 532 Y C -1.093 174.817 175.900 0.017 0.000 0.984 532 Y CA -0.810 57.301 58.100 0.019 0.000 1.248 532 Y CB 1.412 39.877 38.460 0.009 0.000 1.116 532 Y HN 0.523 nan 8.280 nan 0.000 0.470 533 L N 6.037 126.939 121.223 -0.535 0.000 2.264 533 L HA 0.808 5.149 4.340 0.001 0.000 0.289 533 L C -0.631 175.918 176.870 -0.534 0.000 1.044 533 L CA -0.443 54.175 54.840 -0.370 0.000 0.807 533 L CB 0.615 42.571 42.059 -0.172 0.000 1.192 533 L HN 0.752 nan 8.230 nan 0.000 0.425 534 A N 4.524 127.171 122.820 -0.289 0.000 2.414 534 A HA 0.640 4.960 4.320 0.001 0.000 0.306 534 A C -1.800 175.825 177.584 0.067 0.000 1.054 534 A CA -0.588 51.370 52.037 -0.131 0.000 0.724 534 A CB 0.844 19.862 19.000 0.030 0.000 1.267 534 A HN 0.732 nan 8.150 nan 0.000 0.418 535 W N 1.968 123.235 121.300 -0.055 0.000 2.578 535 W HA 0.640 5.301 4.660 0.001 0.000 0.353 535 W C -0.719 175.807 176.519 0.012 0.000 1.088 535 W CA -0.069 57.260 57.345 -0.028 0.000 1.235 535 W CB 1.894 31.319 29.460 -0.058 0.000 1.362 535 W HN 1.030 nan 8.180 nan 0.000 0.592 536 V N 2.230 121.530 119.914 -1.023 0.000 3.048 536 V HA 0.628 4.749 4.120 0.001 0.000 0.303 536 V C -2.901 172.207 176.094 -1.642 0.000 1.214 536 V CA -2.768 58.983 62.300 -0.915 0.000 0.984 536 V CB 1.464 33.053 31.823 -0.390 0.000 1.054 536 V HN 0.494 nan 8.190 nan 0.000 0.430 537 P HA 0.485 nan 4.420 nan 0.000 0.275 537 P C -0.147 176.916 177.300 -0.396 0.000 1.227 537 P CA 0.291 63.004 63.100 -0.645 0.000 0.781 537 P CB 0.897 32.568 31.700 -0.049 0.000 0.906 538 A N 2.982 125.645 122.820 -0.261 0.000 2.371 538 A HA 0.284 4.604 4.320 0.001 0.000 0.257 538 A C 0.287 177.759 177.584 -0.187 0.000 1.089 538 A CA -0.095 51.755 52.037 -0.312 0.000 0.794 538 A CB -0.669 18.131 19.000 -0.333 0.000 1.029 538 A HN 0.778 nan 8.150 nan 0.000 0.488 539 H N 0.206 119.241 119.070 -0.059 0.000 2.862 539 H HA -0.098 4.458 4.556 0.001 0.000 0.290 539 H C -0.106 175.198 175.328 -0.039 0.000 1.211 539 H CA 1.428 57.453 56.048 -0.039 0.000 1.140 539 H CB -1.256 28.495 29.762 -0.017 0.000 1.341 539 H HN 0.771 nan 8.280 nan 0.000 0.392 540 K N -0.146 120.262 120.400 0.014 0.000 2.592 540 K HA 0.287 4.608 4.320 0.001 0.000 0.203 540 K C 0.965 177.550 176.600 -0.025 0.000 1.070 540 K CA 0.318 56.606 56.287 0.001 0.000 1.062 540 K CB 1.093 33.585 32.500 -0.013 0.000 0.814 540 K HN 0.431 nan 8.250 nan 0.000 0.502 541 G N 2.459 111.241 108.800 -0.030 0.000 2.370 541 G HA2 -0.248 3.712 3.960 0.001 0.000 0.295 541 G HA3 -0.248 3.712 3.960 0.001 0.000 0.295 541 G C -0.118 174.741 174.900 -0.069 0.000 1.045 541 G CA 0.067 45.141 45.100 -0.044 0.000 1.199 541 G HN 0.305 nan 8.290 nan 0.000 0.513 542 I N -0.090 120.418 120.570 -0.104 0.000 2.693 542 I HA 0.636 4.806 4.170 0.001 0.000 0.303 542 I C 0.995 176.993 176.117 -0.198 0.000 1.025 542 I CA -0.933 60.292 61.300 -0.125 0.000 1.086 542 I CB 2.262 40.189 38.000 -0.122 0.000 1.268 542 I HN 0.285 nan 8.210 nan 0.000 0.440 543 G N 1.850 110.525 108.800 -0.208 0.000 2.320 543 G HA2 0.481 4.441 3.960 0.001 0.000 0.300 543 G HA3 0.481 4.441 3.960 0.001 0.000 0.300 543 G C 0.184 174.666 174.900 -0.697 0.000 1.126 543 G CA -0.330 44.566 45.100 -0.339 0.000 0.896 543 G HN 0.872 nan 8.290 nan 0.000 0.436 544 G N 1.792 109.594 108.800 -1.664 0.000 4.547 544 G HA2 0.030 3.991 3.960 0.001 0.000 0.301 544 G HA3 0.030 3.991 3.960 0.001 0.000 0.301 544 G C 0.858 175.359 174.900 -0.666 0.000 1.240 544 G CA -0.405 44.156 45.100 -0.898 0.000 0.970 544 G HN 0.604 nan 8.290 nan 0.000 0.574 545 N N 0.740 119.137 118.700 -0.505 0.000 2.443 545 N HA -0.086 4.655 4.740 0.001 0.000 0.184 545 N C 1.640 177.052 175.510 -0.163 0.000 1.037 545 N CA 0.841 53.760 53.050 -0.217 0.000 0.896 545 N CB 0.265 38.648 38.487 -0.174 0.000 0.959 545 N HN 0.585 nan 8.380 nan 0.000 0.442 546 E N 0.141 120.235 120.200 -0.176 0.000 2.028 546 E HA -0.178 4.172 4.350 0.001 0.000 0.191 546 E C 1.843 178.390 176.600 -0.088 0.000 0.988 546 E CA 0.986 57.321 56.400 -0.109 0.000 0.799 546 E CB 0.023 29.661 29.700 -0.103 0.000 0.755 546 E HN 0.302 nan 8.360 nan 0.000 0.447 547 Q N 0.288 120.020 119.800 -0.114 0.000 2.020 547 Q HA -0.138 4.203 4.340 0.001 0.000 0.202 547 Q C 2.409 178.379 176.000 -0.050 0.000 0.982 547 Q CA 1.461 57.217 55.803 -0.079 0.000 0.838 547 Q CB -0.570 28.113 28.738 -0.090 0.000 0.899 547 Q HN 0.188 nan 8.270 nan 0.000 0.423 548 V N 0.599 120.490 119.914 -0.039 0.000 2.324 548 V HA -0.304 3.816 4.120 0.001 0.000 0.250 548 V C 1.854 177.942 176.094 -0.010 0.000 1.060 548 V CA 2.205 64.503 62.300 -0.003 0.000 1.042 548 V CB -0.932 30.918 31.823 0.045 0.000 0.650 548 V HN 0.382 nan 8.190 nan 0.000 0.450 549 D N -0.050 120.337 120.400 -0.022 0.000 2.218 549 D HA -0.158 4.483 4.640 0.001 0.000 0.204 549 D C 2.113 178.419 176.300 0.011 0.000 0.976 549 D CA 1.228 55.223 54.000 -0.008 0.000 0.853 549 D CB -0.030 40.758 40.800 -0.021 0.000 0.939 549 D HN 0.519 nan 8.370 nan 0.000 0.481 550 K N -0.314 120.084 120.400 -0.003 0.000 2.098 550 K HA 0.050 4.371 4.320 0.001 0.000 0.203 550 K C 2.242 178.837 176.600 -0.008 0.000 1.051 550 K CA 0.296 56.581 56.287 -0.002 0.000 0.957 550 K CB -0.041 32.452 32.500 -0.012 0.000 0.738 550 K HN 0.156 nan 8.250 nan 0.000 0.447 551 L N 1.306 122.519 121.223 -0.018 0.000 2.010 551 L HA -0.238 4.103 4.340 0.001 0.000 0.219 551 L C 2.397 179.256 176.870 -0.018 0.000 1.077 551 L CA 1.646 56.471 54.840 -0.026 0.000 0.773 551 L CB -0.872 41.164 42.059 -0.039 0.000 0.892 551 L HN 0.149 nan 8.230 nan 0.000 0.436 552 V N -6.312 113.598 119.914 -0.007 0.000 3.608 552 V HA 0.061 4.182 4.120 0.001 0.000 0.269 552 V C 1.834 177.935 176.094 0.012 0.000 1.245 552 V CA 1.101 63.402 62.300 0.003 0.000 1.138 552 V CB 0.680 32.511 31.823 0.014 0.000 0.841 552 V HN 0.271 nan 8.190 nan 0.000 0.451 553 S N 0.304 116.012 115.700 0.014 0.000 2.540 553 S HA 0.572 5.043 4.470 0.001 0.000 0.218 553 S C 1.003 175.610 174.600 0.011 0.000 0.977 553 S CA 0.311 58.524 58.200 0.022 0.000 0.918 553 S CB -0.196 63.027 63.200 0.039 0.000 0.806 553 S HN 0.882 nan 8.310 nan 0.000 0.496 554 A N 0.963 123.785 122.820 0.003 0.000 2.279 554 A HA 0.627 4.947 4.320 0.001 0.000 0.306 554 A C 0.737 178.320 177.584 -0.001 0.000 1.300 554 A CA 0.050 52.086 52.037 -0.001 0.000 0.925 554 A CB -0.569 18.428 19.000 -0.006 0.000 1.152 554 A HN 0.952 nan 8.150 nan 0.000 0.544 555 G N 0.268 109.068 108.800 0.000 0.000 2.943 555 G HA2 0.564 4.525 3.960 0.001 0.000 0.250 555 G HA3 0.564 4.525 3.960 0.001 0.000 0.250 555 G C 0.031 174.935 174.900 0.006 0.000 0.996 555 G CA -0.166 44.935 45.100 0.002 0.000 1.248 555 G HN 2.991 nan 8.290 nan 0.000 0.589 556 I N 0.000 120.573 120.570 0.005 0.000 2.984 556 I HA 0.000 4.171 4.170 0.001 0.000 0.288 556 I CA 0.000 61.305 61.300 0.008 0.000 1.566 556 I CB 0.000 38.009 38.000 0.015 0.000 1.214 556 I HN 0.000 nan 8.210 nan 0.000 0.494