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 3dmj_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKXXXXXK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSATVLD VGDAYFSVPL DEDFRKYTAF TIPSIXXETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FRKQNPDIVI CQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLX 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 VYLAWVPAH 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 0.000 177.345 177.300 0.075 0.000 1.155 1 P CA 0.000 63.129 63.100 0.049 0.000 0.800 1 P CB 0.000 31.724 31.700 0.039 0.000 0.726 2 I N 0.718 121.332 120.570 0.074 0.000 2.612 2 I HA 0.308 4.492 4.170 0.024 0.000 0.295 2 I C 1.016 177.196 176.117 0.104 0.000 1.011 2 I CA -0.421 60.937 61.300 0.098 0.000 1.326 2 I CB 1.412 39.465 38.000 0.088 0.000 1.427 2 I HN 0.417 nan 8.210 nan 0.000 0.537 3 S N 4.929 120.711 115.700 0.137 0.000 2.523 3 S HA 0.317 4.801 4.470 0.024 0.000 0.275 3 S C -2.022 172.679 174.600 0.168 0.000 1.281 3 S CA -1.255 57.050 58.200 0.175 0.000 1.050 3 S CB 0.783 64.109 63.200 0.210 0.000 0.937 3 S HN 0.300 nan 8.310 nan 0.000 0.492 4 P HA 0.270 nan 4.420 nan 0.000 0.258 4 P C -0.293 177.154 177.300 0.244 0.000 1.559 4 P CA 0.027 63.208 63.100 0.135 0.000 0.855 4 P CB -0.282 31.427 31.700 0.014 0.000 1.594 5 I N -0.667 120.063 120.570 0.267 0.000 2.488 5 I HA 0.230 4.414 4.170 0.024 0.000 0.299 5 I C 0.640 176.837 176.117 0.134 0.000 0.984 5 I CA -1.110 60.333 61.300 0.238 0.000 1.250 5 I CB 1.422 39.507 38.000 0.142 0.000 1.389 5 I HN -0.114 nan 8.210 nan 0.000 0.488 6 E N 3.792 124.056 120.200 0.107 0.000 2.422 6 E HA 0.057 4.421 4.350 0.024 0.000 0.260 6 E C -0.513 176.121 176.600 0.058 0.000 1.108 6 E CA -0.255 56.190 56.400 0.075 0.000 0.943 6 E CB 0.688 30.425 29.700 0.062 0.000 0.961 6 E HN 0.669 nan 8.360 nan 0.000 0.443 7 T N -0.641 113.947 114.554 0.057 0.000 2.874 7 T HA 0.381 4.745 4.350 0.024 0.000 0.281 7 T C -0.102 174.628 174.700 0.050 0.000 0.994 7 T CA -1.024 61.109 62.100 0.055 0.000 1.015 7 T CB 1.250 70.155 68.868 0.062 0.000 1.028 7 T HN 0.170 nan 8.240 nan 0.000 0.523 8 V N 3.792 123.738 119.914 0.053 0.000 2.394 8 V HA 0.385 4.519 4.120 0.024 0.000 0.282 8 V C -1.933 174.211 176.094 0.082 0.000 1.031 8 V CA -2.026 60.310 62.300 0.060 0.000 0.881 8 V CB 1.095 32.954 31.823 0.060 0.000 0.982 8 V HN 0.852 nan 8.190 nan 0.000 0.451 9 P HA 0.177 nan 4.420 nan 0.000 0.274 9 P C -0.581 176.778 177.300 0.098 0.000 1.291 9 P CA 0.191 63.343 63.100 0.087 0.000 0.815 9 P CB 0.918 32.659 31.700 0.068 0.000 0.897 10 V N 5.197 125.173 119.914 0.102 0.000 2.713 10 V HA 0.446 4.581 4.120 0.024 0.000 0.307 10 V C 0.591 176.751 176.094 0.109 0.000 1.052 10 V CA -0.373 61.953 62.300 0.044 0.000 0.967 10 V CB 1.772 33.503 31.823 -0.153 0.000 1.019 10 V HN 0.469 nan 8.190 nan 0.000 0.459 11 K N 2.583 123.029 120.400 0.076 0.000 2.512 11 K HA 0.624 4.958 4.320 0.024 0.000 0.263 11 K C -1.502 175.228 176.600 0.217 0.000 0.966 11 K CA -0.882 55.533 56.287 0.214 0.000 0.851 11 K CB 2.534 35.096 32.500 0.103 0.000 1.395 11 K HN 0.390 nan 8.250 nan 0.000 0.440 12 L N 2.206 123.564 121.223 0.225 0.000 2.395 12 L HA 0.259 4.613 4.340 0.024 0.000 0.269 12 L C 0.703 177.592 176.870 0.032 0.000 1.133 12 L CA -0.376 54.530 54.840 0.110 0.000 0.812 12 L CB 0.489 42.472 42.059 -0.127 0.000 1.125 12 L HN 0.427 nan 8.230 nan 0.000 0.452 13 K N 2.064 122.474 120.400 0.016 0.000 2.443 13 K HA -0.045 4.290 4.320 0.024 0.000 0.268 13 K C -2.171 174.426 176.600 -0.005 0.000 0.971 13 K CA -0.963 55.318 56.287 -0.010 0.000 0.902 13 K CB -0.314 32.184 32.500 -0.003 0.000 0.950 13 K HN 0.312 nan 8.250 nan 0.000 0.525 14 P HA -0.111 nan 4.420 nan 0.000 0.257 14 P C 0.557 177.860 177.300 0.006 0.000 1.189 14 P CA 1.329 64.428 63.100 -0.001 0.000 0.780 14 P CB 0.150 31.848 31.700 -0.004 0.000 0.772 15 G N 3.229 112.035 108.800 0.011 0.000 2.562 15 G HA2 -0.345 3.629 3.960 0.024 0.000 0.241 15 G HA3 -0.345 3.629 3.960 0.024 0.000 0.241 15 G C 0.449 175.359 174.900 0.017 0.000 1.120 15 G CA 0.591 45.701 45.100 0.016 0.000 0.673 15 G HN 0.609 nan 8.290 nan 0.000 0.519 16 M N 0.547 120.153 119.600 0.010 0.000 2.219 16 M HA 0.604 5.098 4.480 0.024 0.000 0.307 16 M C 0.094 176.389 176.300 -0.008 0.000 1.116 16 M CA 0.625 55.931 55.300 0.010 0.000 1.181 16 M CB 0.213 32.821 32.600 0.012 0.000 1.410 16 M HN 0.196 nan 8.290 nan 0.000 0.454 17 D N -0.275 120.132 120.400 0.012 0.000 2.414 17 D HA 0.605 5.259 4.640 0.024 0.000 0.241 17 D C -0.278 176.010 176.300 -0.021 0.000 1.008 17 D CA -0.103 53.910 54.000 0.023 0.000 1.001 17 D CB 1.711 42.605 40.800 0.157 0.000 1.277 17 D HN 0.837 nan 8.370 nan 0.000 0.538 18 G N 0.617 109.381 108.800 -0.060 0.000 2.630 18 G HA2 0.287 4.261 3.960 0.024 0.000 0.236 18 G HA3 0.287 4.261 3.960 0.024 0.000 0.236 18 G C -2.158 172.944 174.900 0.336 0.000 1.248 18 G CA -0.751 44.280 45.100 -0.115 0.000 0.844 18 G HN 0.444 nan 8.290 nan 0.000 0.588 19 P HA 0.217 nan 4.420 nan 0.000 0.272 19 P C -0.683 176.774 177.300 0.262 0.000 1.230 19 P CA -0.107 63.133 63.100 0.234 0.000 0.788 19 P CB 1.071 32.892 31.700 0.201 0.000 0.949 20 K N 0.621 121.107 120.400 0.144 0.000 3.165 20 K HA 0.250 4.584 4.320 0.024 0.000 0.206 20 K C -0.486 176.142 176.600 0.045 0.000 1.123 20 K CA -0.394 55.938 56.287 0.076 0.000 0.978 20 K CB 0.777 33.287 32.500 0.017 0.000 0.749 20 K HN 0.157 nan 8.250 nan 0.000 0.454 21 V N 1.910 121.860 119.914 0.060 0.000 2.637 21 V HA 0.031 4.165 4.120 0.024 0.000 0.296 21 V C 0.633 176.733 176.094 0.010 0.000 1.046 21 V CA -0.240 62.079 62.300 0.031 0.000 1.066 21 V CB 0.756 32.607 31.823 0.047 0.000 0.968 21 V HN 0.306 nan 8.190 nan 0.000 0.483 22 K N 3.137 123.524 120.400 -0.021 0.000 2.350 22 K HA 0.149 4.483 4.320 0.024 0.000 0.279 22 K C 0.112 176.699 176.600 -0.021 0.000 1.027 22 K CA -0.475 55.793 56.287 -0.031 0.000 0.969 22 K CB 0.522 32.985 32.500 -0.061 0.000 0.954 22 K HN 0.679 nan 8.250 nan 0.000 0.474 23 Q N 4.878 124.679 119.800 0.002 0.000 2.324 23 Q HA -0.018 4.336 4.340 0.024 0.000 0.257 23 Q C -1.159 174.904 176.000 0.106 0.000 1.080 23 Q CA -0.106 55.712 55.803 0.024 0.000 0.907 23 Q CB 0.247 28.995 28.738 0.016 0.000 1.274 23 Q HN 0.441 nan 8.270 nan 0.000 0.434 24 W N 7.386 128.686 121.300 -0.001 0.000 2.343 24 W HA 0.050 4.724 4.660 0.023 0.000 0.337 24 W C -2.065 174.481 176.519 0.044 0.000 1.320 24 W CA -1.560 55.839 57.345 0.090 0.000 1.290 24 W CB 0.177 29.819 29.460 0.304 0.000 1.206 24 W HN 0.589 nan 8.180 nan 0.000 0.565 25 P HA 0.151 nan 4.420 nan 0.000 0.269 25 P C -0.684 176.697 177.300 0.136 0.000 1.209 25 P CA 0.338 63.555 63.100 0.196 0.000 0.776 25 P CB 1.193 32.997 31.700 0.174 0.000 0.876 26 L N 1.049 122.307 121.223 0.057 0.000 2.279 26 L HA 0.518 4.872 4.340 0.024 0.000 0.262 26 L C 1.128 177.985 176.870 -0.022 0.000 1.019 26 L CA -0.914 53.927 54.840 0.000 0.000 0.823 26 L CB 1.992 44.027 42.059 -0.040 0.000 1.358 26 L HN 0.368 nan 8.230 nan 0.000 0.432 27 T N -3.516 111.004 114.554 -0.056 0.000 2.882 27 T HA 0.104 4.468 4.350 0.024 0.000 0.287 27 T C 0.850 175.502 174.700 -0.080 0.000 1.014 27 T CA -0.367 61.703 62.100 -0.051 0.000 1.049 27 T CB 1.406 70.249 68.868 -0.043 0.000 1.001 27 T HN 0.810 nan 8.240 nan 0.000 0.525 28 E N 0.751 120.920 120.200 -0.053 0.000 2.130 28 E HA -0.282 4.082 4.350 0.024 0.000 0.196 28 E C 1.783 178.326 176.600 -0.096 0.000 0.998 28 E CA 1.700 58.065 56.400 -0.058 0.000 0.806 28 E CB -0.120 29.562 29.700 -0.031 0.000 0.738 28 E HN 0.909 nan 8.360 nan 0.000 0.459 29 E N 0.350 120.491 120.200 -0.098 0.000 2.085 29 E HA -0.227 4.137 4.350 0.024 0.000 0.194 29 E C 1.975 178.358 176.600 -0.362 0.000 0.994 29 E CA 1.433 57.753 56.400 -0.133 0.000 0.801 29 E CB 0.131 29.815 29.700 -0.028 0.000 0.743 29 E HN 0.213 nan 8.360 nan 0.000 0.453 30 K N 0.086 120.212 120.400 -0.457 0.000 2.021 30 K HA -0.047 4.288 4.320 0.024 0.000 0.205 30 K C 2.290 178.653 176.600 -0.395 0.000 1.047 30 K CA 1.242 57.114 56.287 -0.691 0.000 0.943 30 K CB -0.155 32.002 32.500 -0.570 0.000 0.725 30 K HN 0.180 nan 8.250 nan 0.000 0.439 31 I N 1.490 121.926 120.570 -0.224 0.000 2.194 31 I HA -0.325 3.860 4.170 0.024 0.000 0.246 31 I C 2.346 178.392 176.117 -0.119 0.000 1.093 31 I CA 1.167 62.390 61.300 -0.129 0.000 1.355 31 I CB -0.313 37.642 38.000 -0.076 0.000 1.046 31 I HN 0.068 nan 8.210 nan 0.000 0.413 32 K N 1.328 121.647 120.400 -0.136 0.000 2.009 32 K HA -0.152 4.183 4.320 0.024 0.000 0.210 32 K C 2.177 178.714 176.600 -0.105 0.000 1.049 32 K CA 1.831 58.059 56.287 -0.098 0.000 0.929 32 K CB -0.517 31.930 32.500 -0.088 0.000 0.714 32 K HN 0.334 nan 8.250 nan 0.000 0.440 33 A N 0.257 122.961 122.820 -0.194 0.000 1.933 33 A HA -0.110 4.224 4.320 0.024 0.000 0.218 33 A C 2.171 179.699 177.584 -0.093 0.000 1.175 33 A CA 1.476 53.419 52.037 -0.157 0.000 0.628 33 A CB -0.644 18.151 19.000 -0.342 0.000 0.814 33 A HN 0.281 nan 8.150 nan 0.000 0.444 34 L N -0.648 120.504 121.223 -0.117 0.000 2.093 34 L HA -0.138 4.216 4.340 0.024 0.000 0.208 34 L C 2.500 179.365 176.870 -0.008 0.000 1.085 34 L CA 0.860 55.669 54.840 -0.053 0.000 0.755 34 L CB -0.568 41.463 42.059 -0.047 0.000 0.904 34 L HN 0.231 nan 8.230 nan 0.000 0.435 35 V N 0.070 119.982 119.914 -0.003 0.000 2.287 35 V HA -0.324 3.810 4.120 0.024 0.000 0.248 35 V C 2.492 178.595 176.094 0.016 0.000 1.053 35 V CA 2.164 64.484 62.300 0.033 0.000 1.027 35 V CB -0.453 31.380 31.823 0.017 0.000 0.646 35 V HN 0.518 nan 8.190 nan 0.000 0.447 36 E N 0.105 120.301 120.200 -0.006 0.000 2.017 36 E HA -0.210 4.154 4.350 0.024 0.000 0.193 36 E C 2.264 178.849 176.600 -0.024 0.000 0.997 36 E CA 1.758 58.154 56.400 -0.007 0.000 0.804 36 E CB -0.212 29.488 29.700 -0.000 0.000 0.757 36 E HN 0.551 nan 8.360 nan 0.000 0.448 37 I N 0.823 121.377 120.570 -0.028 0.000 2.113 37 I HA -0.418 3.766 4.170 0.024 0.000 0.242 37 I C 2.632 178.681 176.117 -0.112 0.000 1.064 37 I CA 1.249 62.518 61.300 -0.052 0.000 1.320 37 I CB -0.384 37.594 38.000 -0.037 0.000 1.028 37 I HN 0.410 nan 8.210 nan 0.000 0.406 38 C N 0.171 119.394 119.300 -0.128 0.000 2.422 38 C HA -0.142 4.332 4.460 0.024 0.000 0.279 38 C C 2.980 177.807 174.990 -0.270 0.000 1.305 38 C CA 1.434 60.287 59.018 -0.274 0.000 1.757 38 C CB -1.176 26.392 27.740 -0.286 0.000 1.962 38 C HN 0.541 nan 8.230 nan 0.000 0.499 39 T N 0.697 115.190 114.554 -0.102 0.000 2.720 39 T HA -0.208 4.157 4.350 0.024 0.000 0.268 39 T C 1.694 176.350 174.700 -0.073 0.000 1.037 39 T CA 1.995 64.071 62.100 -0.040 0.000 1.144 39 T CB -0.314 68.555 68.868 0.001 0.000 0.864 39 T HN 0.645 nan 8.240 nan 0.000 0.444 40 E N 1.562 121.711 120.200 -0.085 0.000 2.023 40 E HA -0.116 4.248 4.350 0.024 0.000 0.196 40 E C 2.129 178.655 176.600 -0.122 0.000 1.003 40 E CA 1.570 57.919 56.400 -0.083 0.000 0.809 40 E CB -0.509 29.146 29.700 -0.075 0.000 0.755 40 E HN 0.487 nan 8.360 nan 0.000 0.449 41 M N 0.190 119.674 119.600 -0.192 0.000 2.149 41 M HA -0.166 4.329 4.480 0.024 0.000 0.261 41 M C 2.447 178.620 176.300 -0.211 0.000 1.064 41 M CA 2.038 57.189 55.300 -0.250 0.000 1.102 41 M CB -0.398 31.977 32.600 -0.375 0.000 1.369 41 M HN 0.270 nan 8.290 nan 0.000 0.408 42 E N 1.014 121.088 120.200 -0.211 0.000 2.077 42 E HA -0.247 4.118 4.350 0.024 0.000 0.193 42 E C 2.007 178.575 176.600 -0.054 0.000 0.989 42 E CA 1.345 57.674 56.400 -0.118 0.000 0.800 42 E CB 0.011 29.691 29.700 -0.034 0.000 0.746 42 E HN 0.426 nan 8.360 nan 0.000 0.452 43 K N 0.633 121.001 120.400 -0.054 0.000 2.026 43 K HA -0.183 4.151 4.320 0.024 0.000 0.208 43 K C 1.832 178.412 176.600 -0.033 0.000 1.048 43 K CA 1.742 58.010 56.287 -0.031 0.000 0.929 43 K CB -0.029 32.454 32.500 -0.029 0.000 0.713 43 K HN 0.126 nan 8.250 nan 0.000 0.439 44 E N -0.857 119.313 120.200 -0.051 0.000 2.463 44 E HA -0.072 4.293 4.350 0.024 0.000 0.201 44 E C 0.722 177.306 176.600 -0.027 0.000 1.045 44 E CA 0.524 56.900 56.400 -0.040 0.000 0.872 44 E CB -0.009 29.655 29.700 -0.060 0.000 0.797 44 E HN 0.686 nan 8.360 nan 0.000 0.538 45 G N 1.328 110.108 108.800 -0.033 0.000 2.143 45 G HA2 -0.337 3.637 3.960 0.024 0.000 0.249 45 G HA3 -0.337 3.637 3.960 0.024 0.000 0.249 45 G C 0.792 175.686 174.900 -0.010 0.000 0.981 45 G CA 0.650 45.743 45.100 -0.012 0.000 0.665 45 G HN 0.255 nan 8.290 nan 0.000 0.528 46 K N -0.404 119.961 120.400 -0.058 0.000 2.137 46 K HA 0.288 4.622 4.320 0.024 0.000 0.202 46 K C 1.501 178.042 176.600 -0.099 0.000 1.052 46 K CA 1.361 57.611 56.287 -0.062 0.000 0.961 46 K CB 0.164 32.556 32.500 -0.179 0.000 0.741 46 K HN 0.767 nan 8.250 nan 0.000 0.452 47 I N -2.804 117.660 120.570 -0.177 0.000 2.892 47 I HA 0.414 4.598 4.170 0.024 0.000 0.306 47 I C -0.888 175.213 176.117 -0.026 0.000 1.078 47 I CA -0.905 60.288 61.300 -0.179 0.000 1.032 47 I CB 2.375 40.134 38.000 -0.402 0.000 1.229 47 I HN -0.314 nan 8.210 nan 0.000 0.435 48 S N 2.645 118.391 115.700 0.075 0.000 2.561 48 S HA 0.352 4.836 4.470 0.024 0.000 0.303 48 S C -0.516 174.177 174.600 0.155 0.000 1.110 48 S CA -0.695 57.574 58.200 0.115 0.000 1.034 48 S CB 1.453 64.678 63.200 0.042 0.000 1.010 48 S HN 0.554 nan 8.310 nan 0.000 0.482 49 K N 3.615 124.080 120.400 0.108 0.000 2.447 49 K HA 0.220 4.554 4.320 0.024 0.000 0.281 49 K C 0.030 176.525 176.600 -0.176 0.000 1.031 49 K CA 0.246 56.389 56.287 -0.239 0.000 1.019 49 K CB 0.014 32.369 32.500 -0.241 0.000 0.918 49 K HN 0.631 nan 8.250 nan 0.000 0.476 50 I N -0.254 120.177 120.570 -0.232 0.000 3.170 50 I HA 0.658 4.842 4.170 0.024 0.000 0.312 50 I C 0.351 176.373 176.117 -0.160 0.000 1.085 50 I CA -1.137 60.072 61.300 -0.151 0.000 0.999 50 I CB 1.812 39.743 38.000 -0.116 0.000 1.233 50 I HN 0.528 nan 8.210 nan 0.000 0.467 51 G N 0.417 109.150 108.800 -0.112 0.000 2.543 51 G HA2 0.528 4.502 3.960 0.024 0.000 0.267 51 G HA3 0.528 4.502 3.960 0.024 0.000 0.267 51 G C -1.966 172.878 174.900 -0.094 0.000 1.406 51 G CA -0.964 44.075 45.100 -0.102 0.000 1.048 51 G HN 0.618 nan 8.290 nan 0.000 0.548 52 P HA 0.051 nan 4.420 nan 0.000 0.251 52 P C 1.115 178.375 177.300 -0.066 0.000 1.223 52 P CA 0.536 63.593 63.100 -0.073 0.000 0.796 52 P CB 0.401 32.061 31.700 -0.066 0.000 1.068 53 E N -0.057 120.108 120.200 -0.058 0.000 2.267 53 E HA -0.137 4.227 4.350 0.024 0.000 0.197 53 E C 0.696 177.265 176.600 -0.052 0.000 0.998 53 E CA 0.519 56.889 56.400 -0.051 0.000 0.830 53 E CB -1.166 28.511 29.700 -0.039 0.000 0.751 53 E HN 0.209 nan 8.360 nan 0.000 0.491 54 N N 2.767 121.440 118.700 -0.045 0.000 2.402 54 N HA 0.034 4.788 4.740 0.024 0.000 0.252 54 N C -1.553 173.900 175.510 -0.095 0.000 1.118 54 N CA -1.430 51.611 53.050 -0.014 0.000 0.945 54 N CB 1.257 39.759 38.487 0.025 0.000 1.147 54 N HN -0.061 nan 8.380 nan 0.000 0.495 55 P HA -0.038 nan 4.420 nan 0.000 0.233 55 P C -0.356 176.703 177.300 -0.402 0.000 1.167 55 P CA 0.626 63.493 63.100 -0.387 0.000 0.770 55 P CB 0.141 31.523 31.700 -0.530 0.000 0.837 56 Y N 0.511 120.824 120.300 0.021 0.000 2.316 56 Y HA 0.511 5.075 4.550 0.024 0.000 0.324 56 Y C 1.207 177.130 175.900 0.038 0.000 1.267 56 Y CA -0.270 57.861 58.100 0.051 0.000 1.311 56 Y CB 0.473 38.990 38.460 0.094 0.000 1.267 56 Y HN -0.090 nan 8.280 nan 0.000 0.516 57 N N -0.717 118.115 118.700 0.220 0.000 3.049 57 N HA 0.202 4.957 4.740 0.024 0.000 0.244 57 N C -2.035 173.553 175.510 0.131 0.000 1.203 57 N CA -0.297 52.840 53.050 0.145 0.000 0.945 57 N CB 1.896 40.426 38.487 0.072 0.000 1.616 57 N HN 0.664 nan 8.380 nan 0.000 0.505 58 T N 2.680 117.302 114.554 0.114 0.000 2.876 58 T HA 0.544 4.908 4.350 0.024 0.000 0.289 58 T C -2.734 171.949 174.700 -0.029 0.000 1.014 58 T CA -0.949 61.158 62.100 0.012 0.000 0.986 58 T CB 2.249 71.030 68.868 -0.146 0.000 1.021 58 T HN 0.343 nan 8.240 nan 0.000 0.458 59 P HA 0.261 nan 4.420 nan 0.000 0.276 59 P C -0.659 176.330 177.300 -0.517 0.000 1.235 59 P CA -0.272 62.679 63.100 -0.247 0.000 0.772 59 P CB 1.078 32.706 31.700 -0.120 0.000 0.871 60 V N 5.068 124.629 119.914 -0.589 0.000 2.630 60 V HA 0.627 4.761 4.120 0.024 0.000 0.305 60 V C -0.940 174.650 176.094 -0.841 0.000 1.046 60 V CA -0.501 61.469 62.300 -0.549 0.000 0.934 60 V CB 0.753 32.427 31.823 -0.249 0.000 1.003 60 V HN 0.337 nan 8.190 nan 0.000 0.451 61 F N 3.150 123.103 119.950 0.005 0.000 2.640 61 F HA 0.868 5.410 4.527 0.024 0.000 0.324 61 F C 0.232 176.043 175.800 0.018 0.000 1.077 61 F CA -0.521 57.483 58.000 0.006 0.000 0.965 61 F CB 2.042 41.048 39.000 0.010 0.000 1.351 61 F HN 0.633 nan 8.300 nan 0.000 0.487 62 A N 2.070 125.042 122.820 0.253 0.000 2.330 62 A HA 0.863 5.197 4.320 0.024 0.000 0.313 62 A C -0.727 177.160 177.584 0.506 0.000 1.124 62 A CA -0.524 51.677 52.037 0.272 0.000 0.774 62 A CB 0.631 19.595 19.000 -0.061 0.000 1.198 62 A HN 0.755 nan 8.150 nan 0.000 0.465 63 I N -1.146 119.702 120.570 0.463 0.000 3.522 63 I HA 0.775 4.960 4.170 0.024 0.000 0.292 63 I C -0.472 175.689 176.117 0.072 0.000 1.147 63 I CA -1.234 60.215 61.300 0.248 0.000 1.032 63 I CB 1.981 40.052 38.000 0.118 0.000 1.337 63 I HN 0.516 nan 8.210 nan 0.000 0.496 71 W N 0.778 122.083 121.300 0.008 0.000 2.253 71 W HA 0.565 5.240 4.660 0.024 0.000 0.348 71 W C 0.060 176.588 176.519 0.014 0.000 1.229 71 W CA -0.318 57.033 57.345 0.010 0.000 1.335 71 W CB 0.975 30.442 29.460 0.011 0.000 1.165 71 W HN 0.282 nan 8.180 nan 0.000 0.631 72 R N 1.247 121.934 120.500 0.312 0.000 2.574 72 R HA 0.227 4.581 4.340 0.024 0.000 0.288 72 R C -0.571 175.840 176.300 0.184 0.000 1.004 72 R CA -1.186 55.028 56.100 0.189 0.000 0.895 72 R CB 2.093 32.472 30.300 0.131 0.000 1.191 72 R HN 0.465 nan 8.270 nan 0.000 0.444 73 K N 3.087 123.560 120.400 0.121 0.000 2.295 73 K HA 0.324 4.658 4.320 0.024 0.000 0.270 73 K C -0.741 175.929 176.600 0.117 0.000 1.011 73 K CA -0.295 56.041 56.287 0.081 0.000 0.953 73 K CB 1.061 33.559 32.500 -0.003 0.000 0.956 73 K HN 0.503 nan 8.250 nan 0.000 0.477 74 L N 3.095 124.388 121.223 0.118 0.000 2.541 74 L HA 0.309 4.663 4.340 0.024 0.000 0.266 74 L C -1.632 175.319 176.870 0.135 0.000 0.966 74 L CA -0.891 54.048 54.840 0.166 0.000 0.871 74 L CB 1.847 44.033 42.059 0.212 0.000 1.232 74 L HN 0.567 nan 8.230 nan 0.000 0.408 75 V N 2.620 122.576 119.914 0.071 0.000 2.481 75 V HA 0.336 4.470 4.120 0.024 0.000 0.286 75 V C -0.365 175.706 176.094 -0.039 0.000 1.042 75 V CA -0.436 61.795 62.300 -0.115 0.000 0.928 75 V CB 1.621 33.282 31.823 -0.269 0.000 0.986 75 V HN 0.639 nan 8.190 nan 0.000 0.462 76 D N 2.632 122.993 120.400 -0.066 0.000 2.443 76 D HA 0.355 5.009 4.640 0.024 0.000 0.221 76 D C 0.122 176.389 176.300 -0.055 0.000 1.097 76 D CA -0.263 53.793 54.000 0.093 0.000 0.865 76 D CB 0.611 41.616 40.800 0.343 0.000 1.034 76 D HN 0.402 nan 8.370 nan 0.000 0.511 77 F N 1.946 122.018 119.950 0.203 0.000 2.765 77 F HA 0.208 4.749 4.527 0.024 0.000 0.302 77 F C 2.148 178.077 175.800 0.215 0.000 1.111 77 F CA -0.293 57.843 58.000 0.227 0.000 1.359 77 F CB 0.196 39.373 39.000 0.294 0.000 1.097 77 F HN 0.213 nan 8.300 nan 0.000 0.577 78 R N 0.328 121.008 120.500 0.299 0.000 2.165 78 R HA -0.275 4.079 4.340 0.024 0.000 0.254 78 R C 1.936 178.362 176.300 0.210 0.000 1.153 78 R CA 1.958 58.189 56.100 0.219 0.000 0.971 78 R CB -0.395 30.002 30.300 0.161 0.000 0.878 78 R HN 0.204 nan 8.270 nan 0.000 0.449 79 E N 0.782 121.108 120.200 0.211 0.000 2.047 79 E HA -0.139 4.225 4.350 0.024 0.000 0.191 79 E C 1.743 178.484 176.600 0.236 0.000 0.987 79 E CA 0.815 57.326 56.400 0.185 0.000 0.799 79 E CB -0.230 29.563 29.700 0.156 0.000 0.752 79 E HN 0.122 nan 8.360 nan 0.000 0.449 80 L N 1.152 122.583 121.223 0.347 0.000 2.046 80 L HA -0.145 4.209 4.340 0.024 0.000 0.208 80 L C 1.482 178.617 176.870 0.442 0.000 1.077 80 L CA 1.806 56.907 54.840 0.434 0.000 0.747 80 L CB -0.808 41.649 42.059 0.664 0.000 0.896 80 L HN 0.129 nan 8.230 nan 0.000 0.432 81 N N -0.101 118.842 118.700 0.405 0.000 2.289 81 N HA -0.218 4.536 4.740 0.024 0.000 0.184 81 N C 1.764 177.369 175.510 0.158 0.000 1.016 81 N CA 1.143 54.335 53.050 0.237 0.000 0.872 81 N CB -0.264 38.315 38.487 0.154 0.000 0.973 81 N HN 0.493 nan 8.380 nan 0.000 0.433 82 K N 0.960 121.457 120.400 0.162 0.000 2.155 82 K HA 0.034 4.368 4.320 0.024 0.000 0.203 82 K C 1.206 177.865 176.600 0.099 0.000 1.052 82 K CA 0.780 57.132 56.287 0.108 0.000 0.948 82 K CB 0.229 32.790 32.500 0.102 0.000 0.728 82 K HN -0.009 nan 8.250 nan 0.000 0.448 83 R N -0.246 120.335 120.500 0.135 0.000 2.362 83 R HA 0.122 4.476 4.340 0.024 0.000 0.227 83 R C -0.115 176.268 176.300 0.138 0.000 0.905 83 R CA 0.120 56.281 56.100 0.100 0.000 1.067 83 R CB 0.878 31.216 30.300 0.064 0.000 1.078 83 R HN -0.049 nan 8.270 nan 0.000 0.516 84 T N 2.320 117.007 114.554 0.221 0.000 2.856 84 T HA 0.088 4.452 4.350 0.024 0.000 0.292 84 T C 0.040 174.761 174.700 0.035 0.000 0.980 84 T CA -0.580 61.678 62.100 0.263 0.000 1.091 84 T CB 1.162 70.291 68.868 0.436 0.000 0.936 84 T HN 0.254 nan 8.240 nan 0.000 0.503 85 Q N 2.397 122.148 119.800 -0.082 0.000 2.616 85 Q HA 0.060 4.414 4.340 0.024 0.000 0.269 85 Q C -0.844 174.849 176.000 -0.512 0.000 1.148 85 Q CA 0.061 55.694 55.803 -0.283 0.000 1.003 85 Q CB 0.196 28.713 28.738 -0.368 0.000 1.322 85 Q HN 0.478 nan 8.270 nan 0.000 0.518 86 D N -0.263 119.858 120.400 -0.465 0.000 2.294 86 D HA 0.478 5.132 4.640 0.024 0.000 0.250 86 D C -1.006 174.894 176.300 -0.667 0.000 1.058 86 D CA -0.162 53.606 54.000 -0.388 0.000 0.950 86 D CB 0.615 41.323 40.800 -0.153 0.000 1.158 86 D HN 0.363 nan 8.370 nan 0.000 0.453 87 F N -0.807 119.110 119.950 -0.054 0.000 2.782 87 F HA 0.384 4.925 4.527 0.023 0.000 0.366 87 F C -0.214 175.657 175.800 0.119 0.000 1.171 87 F CA -1.154 56.846 58.000 -0.000 0.000 1.064 87 F CB 0.546 39.496 39.000 -0.084 0.000 1.449 87 F HN 0.241 nan 8.300 nan 0.000 0.520 88 W N 2.862 124.245 121.300 0.139 0.000 2.190 88 W HA 0.119 4.793 4.660 0.024 0.000 0.330 88 W C -0.115 176.420 176.519 0.027 0.000 1.299 88 W CA -0.775 56.596 57.345 0.045 0.000 1.215 88 W CB 0.799 30.274 29.460 0.024 0.000 1.147 88 W HN 0.459 nan 8.180 nan 0.000 0.563 89 E N 4.018 123.590 120.200 -1.048 0.000 2.311 89 E HA -0.040 4.324 4.350 0.024 0.000 0.247 89 E C 0.321 176.542 176.600 -0.631 0.000 1.215 89 E CA 0.105 56.027 56.400 -0.797 0.000 0.957 89 E CB -0.273 28.872 29.700 -0.924 0.000 1.020 89 E HN 0.257 nan 8.360 nan 0.000 0.461 90 V N 4.484 124.205 119.914 -0.323 0.000 2.359 90 V HA -0.181 3.953 4.120 0.024 0.000 0.228 90 V C 1.122 177.094 176.094 -0.205 0.000 1.331 90 V CA 0.806 62.978 62.300 -0.213 0.000 1.419 90 V CB -1.799 29.927 31.823 -0.161 0.000 1.427 90 V HN 0.841 nan 8.190 nan 0.000 0.488 91 Q N 1.864 121.533 119.800 -0.219 0.000 2.367 91 Q HA -0.228 4.126 4.340 0.024 0.000 0.324 91 Q C 0.536 176.460 176.000 -0.127 0.000 1.239 91 Q CA 0.263 55.983 55.803 -0.138 0.000 0.995 91 Q CB -0.351 28.352 28.738 -0.057 0.000 1.093 91 Q HN 0.805 nan 8.270 nan 0.000 0.296 92 L N 1.882 123.019 121.223 -0.144 0.000 2.313 92 L HA 0.075 4.429 4.340 0.024 0.000 0.214 92 L C 1.388 178.241 176.870 -0.028 0.000 1.119 92 L CA 0.771 55.552 54.840 -0.099 0.000 0.809 92 L CB 0.014 42.001 42.059 -0.119 0.000 0.933 92 L HN 0.602 nan 8.230 nan 0.000 0.449 93 G N 0.920 109.717 108.800 -0.005 0.000 2.349 93 G HA2 0.357 4.331 3.960 0.024 0.000 0.281 93 G HA3 0.357 4.331 3.960 0.024 0.000 0.281 93 G C -0.564 174.409 174.900 0.121 0.000 1.182 93 G CA -0.313 44.812 45.100 0.042 0.000 0.899 93 G HN 0.069 nan 8.290 nan 0.000 0.455 94 I N 3.930 124.597 120.570 0.161 0.000 2.428 94 I HA 0.425 4.609 4.170 0.024 0.000 0.296 94 I C -1.574 174.649 176.117 0.176 0.000 0.985 94 I CA -2.518 58.954 61.300 0.286 0.000 1.260 94 I CB 2.066 40.226 38.000 0.268 0.000 1.389 94 I HN 0.308 nan 8.210 nan 0.000 0.484 95 P HA 0.120 nan 4.420 nan 0.000 0.271 95 P C -1.280 176.064 177.300 0.074 0.000 1.216 95 P CA 0.122 63.257 63.100 0.059 0.000 0.776 95 P CB 0.631 32.304 31.700 -0.045 0.000 0.881 96 H N 3.531 122.519 119.070 -0.137 0.000 2.459 96 H HA 0.215 4.785 4.556 0.024 0.000 0.332 96 H C -1.799 173.351 175.328 -0.297 0.000 1.094 96 H CA -2.020 53.894 56.048 -0.223 0.000 1.224 96 H CB 1.720 31.313 29.762 -0.281 0.000 1.449 96 H HN 0.129 nan 8.280 nan 0.000 0.484 97 P HA -0.180 nan 4.420 nan 0.000 0.217 97 P C 1.032 178.405 177.300 0.122 0.000 1.151 97 P CA 2.172 65.061 63.100 -0.352 0.000 0.849 97 P CB 0.087 31.213 31.700 -0.957 0.000 0.787 98 A N -0.795 122.225 122.820 0.334 0.000 2.178 98 A HA 0.013 4.347 4.320 0.024 0.000 0.218 98 A C 2.182 180.011 177.584 0.409 0.000 1.157 98 A CA 1.677 54.025 52.037 0.517 0.000 0.689 98 A CB -1.382 17.920 19.000 0.504 0.000 0.787 98 A HN 0.327 nan 8.150 nan 0.000 0.465 99 G N -1.069 107.745 108.800 0.024 0.000 3.088 99 G HA2 0.386 4.360 3.960 0.024 0.000 0.217 99 G HA3 0.386 4.360 3.960 0.024 0.000 0.217 99 G C 0.381 175.338 174.900 0.094 0.000 1.159 99 G CA -0.347 44.636 45.100 -0.196 0.000 0.760 99 G HN 0.369 nan 8.290 nan 0.000 0.550 100 L N 1.429 122.753 121.223 0.169 0.000 2.331 100 L HA 0.285 4.639 4.340 0.024 0.000 0.278 100 L C 0.229 177.235 176.870 0.227 0.000 1.106 100 L CA -0.409 54.492 54.840 0.103 0.000 0.824 100 L CB 1.087 43.119 42.059 -0.044 0.000 1.142 100 L HN -0.035 nan 8.230 nan 0.000 0.443 101 K N 3.044 123.541 120.400 0.161 0.000 2.298 101 K HA 0.148 4.482 4.320 0.024 0.000 0.280 101 K C 0.018 176.643 176.600 0.042 0.000 1.032 101 K CA -0.774 55.609 56.287 0.161 0.000 0.958 101 K CB 0.700 33.260 32.500 0.100 0.000 0.978 101 K HN 0.281 nan 8.250 nan 0.000 0.472 102 K N 3.462 123.920 120.400 0.097 0.000 2.472 102 K HA 0.009 4.343 4.320 0.024 0.000 0.280 102 K C -0.419 176.174 176.600 -0.011 0.000 1.028 102 K CA 0.710 57.031 56.287 0.057 0.000 1.045 102 K CB 0.409 32.996 32.500 0.145 0.000 0.902 102 K HN 0.401 nan 8.250 nan 0.000 0.478 103 K N 3.715 124.079 120.400 -0.060 0.000 2.426 103 K HA 0.230 4.564 4.320 0.024 0.000 0.251 103 K C 0.769 177.343 176.600 -0.044 0.000 0.941 103 K CA -0.697 55.564 56.287 -0.043 0.000 0.808 103 K CB 1.574 34.043 32.500 -0.052 0.000 1.265 103 K HN 0.355 nan 8.250 nan 0.000 0.432 104 K N 0.523 120.901 120.400 -0.036 0.000 2.097 104 K HA -0.009 4.325 4.320 0.024 0.000 0.206 104 K C 0.167 176.706 176.600 -0.101 0.000 1.049 104 K CA 1.116 57.377 56.287 -0.044 0.000 0.933 104 K CB 0.137 32.621 32.500 -0.027 0.000 0.717 104 K HN 0.384 nan 8.250 nan 0.000 0.442 105 S N -0.954 114.629 115.700 -0.196 0.000 2.540 105 S HA 0.627 5.111 4.470 0.024 0.000 0.275 105 S C -1.493 172.889 174.600 -0.363 0.000 1.123 105 S CA -1.026 56.942 58.200 -0.386 0.000 0.907 105 S CB 2.319 65.027 63.200 -0.819 0.000 1.081 105 S HN 0.251 nan 8.310 nan 0.000 0.476 106 A N 1.884 124.605 122.820 -0.165 0.000 2.398 106 A HA 0.833 5.167 4.320 0.024 0.000 0.301 106 A C -0.627 177.062 177.584 0.176 0.000 1.041 106 A CA -0.650 51.413 52.037 0.042 0.000 0.711 106 A CB 1.403 20.445 19.000 0.070 0.000 1.240 106 A HN 0.577 nan 8.150 nan 0.000 0.420 107 T N 1.329 116.015 114.554 0.220 0.000 2.876 107 T HA 0.574 4.939 4.350 0.024 0.000 0.289 107 T C -0.575 174.120 174.700 -0.008 0.000 1.014 107 T CA -0.434 61.775 62.100 0.181 0.000 0.986 107 T CB 1.596 70.613 68.868 0.248 0.000 1.021 107 T HN 0.557 nan 8.240 nan 0.000 0.458 108 V N 3.672 123.528 119.914 -0.098 0.000 2.394 108 V HA 0.472 4.606 4.120 0.024 0.000 0.282 108 V C -0.795 175.173 176.094 -0.209 0.000 1.031 108 V CA -0.766 61.357 62.300 -0.295 0.000 0.881 108 V CB 1.083 32.685 31.823 -0.367 0.000 0.982 108 V HN 0.605 nan 8.190 nan 0.000 0.451 109 L N 4.244 125.294 121.223 -0.288 0.000 2.324 109 L HA 0.449 4.803 4.340 0.024 0.000 0.274 109 L C -0.129 176.639 176.870 -0.169 0.000 1.012 109 L CA -0.120 54.617 54.840 -0.173 0.000 0.859 109 L CB 1.314 43.286 42.059 -0.145 0.000 1.224 109 L HN 0.612 nan 8.230 nan 0.000 0.429 110 D N 2.633 122.972 120.400 -0.103 0.000 2.338 110 D HA 0.165 4.819 4.640 0.024 0.000 0.255 110 D C 0.314 176.589 176.300 -0.043 0.000 1.237 110 D CA -0.039 53.919 54.000 -0.070 0.000 0.883 110 D CB 1.170 41.947 40.800 -0.038 0.000 1.087 110 D HN 0.258 nan 8.370 nan 0.000 0.485 111 V N 2.744 122.651 119.914 -0.010 0.000 2.852 111 V HA 0.517 4.651 4.120 0.024 0.000 0.359 111 V C 1.409 177.485 176.094 -0.029 0.000 1.244 111 V CA -0.077 62.252 62.300 0.047 0.000 1.371 111 V CB 0.253 32.185 31.823 0.182 0.000 1.491 111 V HN 0.452 nan 8.190 nan 0.000 0.603 112 G N 2.634 111.369 108.800 -0.107 0.000 2.736 112 G HA2 -0.260 3.715 3.960 0.024 0.000 0.214 112 G HA3 -0.260 3.715 3.960 0.024 0.000 0.214 112 G C 0.928 175.670 174.900 -0.263 0.000 1.327 112 G CA 1.179 46.150 45.100 -0.216 0.000 0.818 112 G HN 0.775 nan 8.290 nan 0.000 0.611 113 D N 1.471 121.788 120.400 -0.138 0.000 2.429 113 D HA 0.117 4.771 4.640 0.024 0.000 0.237 113 D C 1.762 178.065 176.300 0.005 0.000 1.045 113 D CA 0.715 54.690 54.000 -0.042 0.000 0.974 113 D CB -0.611 40.228 40.800 0.064 0.000 0.871 113 D HN 0.312 nan 8.370 nan 0.000 0.525 114 A N -0.812 121.959 122.820 -0.082 0.000 2.255 114 A HA -0.043 4.291 4.320 0.024 0.000 0.206 114 A C 1.103 178.697 177.584 0.016 0.000 1.193 114 A CA 0.104 52.153 52.037 0.020 0.000 0.794 114 A CB -0.681 18.388 19.000 0.115 0.000 0.794 114 A HN 0.206 nan 8.150 nan 0.000 0.481 115 Y N -1.647 118.439 120.300 -0.358 0.000 2.347 115 Y HA 0.121 4.685 4.550 0.024 0.000 0.294 115 Y C 1.431 177.241 175.900 -0.151 0.000 1.117 115 Y CA 0.229 58.108 58.100 -0.369 0.000 1.184 115 Y CB -0.389 37.734 38.460 -0.561 0.000 1.047 115 Y HN 0.464 nan 8.280 nan 0.000 0.546 116 F N -1.213 118.839 119.950 0.170 0.000 2.797 116 F HA -0.011 4.530 4.527 0.024 0.000 0.302 116 F C 1.800 177.674 175.800 0.123 0.000 1.130 116 F CA 0.169 58.260 58.000 0.152 0.000 1.387 116 F CB 0.140 39.220 39.000 0.132 0.000 1.107 116 F HN -0.120 nan 8.300 nan 0.000 0.577 117 S N -0.809 115.052 115.700 0.269 0.000 2.517 117 S HA 0.132 4.616 4.470 0.024 0.000 0.214 117 S C 0.503 175.221 174.600 0.197 0.000 0.991 117 S CA 0.010 58.339 58.200 0.214 0.000 0.906 117 S CB 0.363 63.683 63.200 0.199 0.000 0.789 117 S HN -0.095 nan 8.310 nan 0.000 0.513 118 V N 3.488 123.518 119.914 0.194 0.000 2.581 118 V HA 0.391 4.525 4.120 0.024 0.000 0.303 118 V C -2.651 173.523 176.094 0.134 0.000 1.041 118 V CA -2.368 60.026 62.300 0.156 0.000 0.907 118 V CB 1.582 33.492 31.823 0.145 0.000 0.994 118 V HN 0.010 nan 8.190 nan 0.000 0.442 119 P HA 0.191 nan 4.420 nan 0.000 0.271 119 P C -0.877 176.473 177.300 0.083 0.000 1.216 119 P CA -0.268 62.893 63.100 0.101 0.000 0.776 119 P CB 0.566 32.320 31.700 0.090 0.000 0.881 120 L N 2.819 124.090 121.223 0.080 0.000 2.325 120 L HA 0.369 4.724 4.340 0.024 0.000 0.279 120 L C -0.081 176.828 176.870 0.064 0.000 1.054 120 L CA -0.691 54.180 54.840 0.052 0.000 0.804 120 L CB 0.645 42.723 42.059 0.032 0.000 1.200 120 L HN 0.238 nan 8.230 nan 0.000 0.436 121 D N 2.969 123.412 120.400 0.071 0.000 2.455 121 D HA -0.074 4.581 4.640 0.024 0.000 0.265 121 D C 1.173 177.536 176.300 0.104 0.000 1.284 121 D CA 0.445 54.503 54.000 0.096 0.000 0.944 121 D CB 0.796 41.669 40.800 0.122 0.000 1.121 121 D HN 0.621 nan 8.370 nan 0.000 0.525 122 E N 3.271 123.513 120.200 0.070 0.000 2.187 122 E HA -0.297 4.067 4.350 0.024 0.000 0.199 122 E C 0.746 177.359 176.600 0.022 0.000 1.004 122 E CA 1.315 57.741 56.400 0.042 0.000 0.813 122 E CB -0.230 29.489 29.700 0.033 0.000 0.736 122 E HN 0.644 nan 8.360 nan 0.000 0.468 123 D N -0.064 120.368 120.400 0.054 0.000 2.178 123 D HA -0.096 4.558 4.640 0.024 0.000 0.202 123 D C 1.638 177.932 176.300 -0.009 0.000 0.974 123 D CA 0.753 54.773 54.000 0.033 0.000 0.841 123 D CB -0.327 40.528 40.800 0.093 0.000 0.953 123 D HN 0.202 nan 8.370 nan 0.000 0.478 124 F N 1.696 121.602 119.950 -0.073 0.000 2.569 124 F HA 0.085 4.626 4.527 0.024 0.000 0.295 124 F C 2.166 177.825 175.800 -0.236 0.000 1.115 124 F CA 0.258 58.212 58.000 -0.077 0.000 1.450 124 F CB 0.154 39.183 39.000 0.049 0.000 1.107 124 F HN -0.269 nan 8.300 nan 0.000 0.563 125 R N 0.950 121.391 120.500 -0.098 0.000 2.154 125 R HA -0.247 4.107 4.340 0.024 0.000 0.248 125 R C 2.124 178.278 176.300 -0.244 0.000 1.155 125 R CA 1.952 57.983 56.100 -0.114 0.000 0.979 125 R CB -0.599 29.686 30.300 -0.025 0.000 0.869 125 R HN 0.423 nan 8.270 nan 0.000 0.452 126 K N -0.190 119.934 120.400 -0.461 0.000 2.103 126 K HA -0.178 4.157 4.320 0.024 0.000 0.207 126 K C 1.409 177.710 176.600 -0.499 0.000 1.048 126 K CA 1.652 57.661 56.287 -0.463 0.000 0.930 126 K CB -0.488 31.674 32.500 -0.562 0.000 0.716 126 K HN 0.152 nan 8.250 nan 0.000 0.444 127 Y N 2.638 122.593 120.300 -0.574 0.000 2.403 127 Y HA -0.108 4.457 4.550 0.024 0.000 0.291 127 Y C 2.498 178.296 175.900 -0.171 0.000 1.143 127 Y CA 1.272 59.008 58.100 -0.607 0.000 1.257 127 Y CB -1.094 36.775 38.460 -0.985 0.000 0.984 127 Y HN 0.357 nan 8.280 nan 0.000 0.550 128 T N -2.073 112.495 114.554 0.024 0.000 3.148 128 T HA 0.365 4.729 4.350 0.024 0.000 0.253 128 T C 0.935 175.902 174.700 0.444 0.000 1.134 128 T CA 0.128 62.430 62.100 0.336 0.000 1.051 128 T CB -0.714 68.309 68.868 0.259 0.000 0.959 128 T HN 0.243 nan 8.240 nan 0.000 0.525 129 A N 1.832 124.795 122.820 0.238 0.000 2.540 129 A HA 0.509 4.844 4.320 0.024 0.000 0.239 129 A C -0.015 177.701 177.584 0.220 0.000 1.061 129 A CA -0.431 51.697 52.037 0.151 0.000 0.758 129 A CB -0.600 18.448 19.000 0.079 0.000 0.991 129 A HN 0.751 nan 8.150 nan 0.000 0.502 130 F N -0.462 119.564 119.950 0.128 0.000 2.629 130 F HA 0.830 5.371 4.527 0.024 0.000 0.316 130 F C -0.345 175.487 175.800 0.052 0.000 1.081 130 F CA -0.868 57.169 58.000 0.061 0.000 0.954 130 F CB 1.479 40.509 39.000 0.050 0.000 1.337 130 F HN 0.304 nan 8.300 nan 0.000 0.474 131 T N 2.929 117.607 114.554 0.207 0.000 2.841 131 T HA 0.515 4.879 4.350 0.024 0.000 0.285 131 T C -0.473 174.309 174.700 0.136 0.000 0.991 131 T CA -0.420 61.731 62.100 0.085 0.000 0.966 131 T CB 1.284 70.157 68.868 0.007 0.000 0.962 131 T HN 0.572 nan 8.240 nan 0.000 0.438 132 I N 5.431 126.077 120.570 0.128 0.000 2.396 132 I HA 0.227 4.412 4.170 0.024 0.000 0.289 132 I C -1.883 174.254 176.117 0.032 0.000 1.056 132 I CA -2.223 59.138 61.300 0.102 0.000 1.365 132 I CB 1.108 39.189 38.000 0.136 0.000 1.407 132 I HN 0.335 nan 8.210 nan 0.000 0.509 133 P HA -0.010 nan 4.420 nan 0.000 0.276 133 P C -0.615 176.682 177.300 -0.005 0.000 1.264 133 P CA -0.034 63.069 63.100 0.005 0.000 0.815 133 P CB 0.439 32.144 31.700 0.007 0.000 1.121 134 S N -1.682 114.014 115.700 -0.007 0.000 2.661 134 S HA 0.600 5.084 4.470 0.024 0.000 0.285 134 S C -0.317 174.278 174.600 -0.008 0.000 1.138 134 S CA -0.762 57.431 58.200 -0.012 0.000 0.855 134 S CB 0.625 63.816 63.200 -0.015 0.000 1.136 134 S HN 0.113 nan 8.310 nan 0.000 0.484 139 T N 0.403 114.949 114.554 -0.012 0.000 2.810 139 T HA 0.575 4.940 4.350 0.024 0.000 0.277 139 T C -2.539 172.147 174.700 -0.024 0.000 0.973 139 T CA -1.265 60.824 62.100 -0.018 0.000 0.949 139 T CB 0.784 69.640 68.868 -0.020 0.000 1.075 139 T HN 0.045 nan 8.240 nan 0.000 0.537 140 P HA 0.332 nan 4.420 nan 0.000 0.267 140 P C 0.348 177.621 177.300 -0.046 0.000 1.209 140 P CA -0.015 63.060 63.100 -0.041 0.000 0.763 140 P CB 0.194 31.864 31.700 -0.050 0.000 0.816 141 G N 2.860 111.632 108.800 -0.046 0.000 2.588 141 G HA2 0.430 4.404 3.960 0.024 0.000 0.281 141 G HA3 0.430 4.404 3.960 0.024 0.000 0.281 141 G C -0.363 174.488 174.900 -0.081 0.000 1.236 141 G CA -0.787 44.286 45.100 -0.045 0.000 0.969 141 G HN 0.432 nan 8.290 nan 0.000 0.504 142 I N 0.542 121.062 120.570 -0.084 0.000 2.371 142 I HA 0.262 4.446 4.170 0.024 0.000 0.290 142 I C 0.437 176.401 176.117 -0.255 0.000 1.028 142 I CA -0.154 61.038 61.300 -0.179 0.000 1.345 142 I CB 0.928 38.847 38.000 -0.134 0.000 1.407 142 I HN 0.217 nan 8.210 nan 0.000 0.501 143 R N 6.161 126.422 120.500 -0.399 0.000 2.393 143 R HA 0.623 4.977 4.340 0.024 0.000 0.310 143 R C -1.401 174.501 176.300 -0.664 0.000 0.968 143 R CA -0.668 55.179 56.100 -0.422 0.000 0.867 143 R CB 1.694 31.831 30.300 -0.273 0.000 1.124 143 R HN 0.480 nan 8.270 nan 0.000 0.450 144 Y N 0.213 120.154 120.300 -0.598 0.000 2.669 144 Y HA 0.297 4.861 4.550 0.024 0.000 0.335 144 Y C -0.259 175.256 175.900 -0.641 0.000 1.116 144 Y CA -0.927 56.786 58.100 -0.644 0.000 1.081 144 Y CB 2.369 40.343 38.460 -0.810 0.000 1.297 144 Y HN 0.484 nan 8.280 nan 0.000 0.484 145 Q N -0.595 119.133 119.800 -0.120 0.000 2.435 145 Q HA 0.474 4.828 4.340 0.024 0.000 0.282 145 Q C -2.249 173.862 176.000 0.185 0.000 1.020 145 Q CA -1.076 54.767 55.803 0.068 0.000 0.820 145 Q CB 1.945 30.703 28.738 0.032 0.000 1.436 145 Q HN 0.631 nan 8.270 nan 0.000 0.395 146 Y N 1.321 121.744 120.300 0.205 0.000 2.346 146 Y HA 0.219 4.783 4.550 0.024 0.000 0.330 146 Y C 0.912 176.866 175.900 0.089 0.000 1.178 146 Y CA 0.169 58.379 58.100 0.183 0.000 1.331 146 Y CB 0.971 39.559 38.460 0.213 0.000 1.253 146 Y HN 0.733 nan 8.280 nan 0.000 0.529 147 N N 1.177 120.018 118.700 0.234 0.000 2.205 147 N HA 0.098 4.852 4.740 0.024 0.000 0.201 147 N C -0.740 174.873 175.510 0.171 0.000 1.128 147 N CA 0.392 53.531 53.050 0.148 0.000 0.867 147 N CB 0.881 39.421 38.487 0.088 0.000 0.996 147 N HN 0.387 nan 8.380 nan 0.000 0.503 148 V N -2.707 117.368 119.914 0.268 0.000 3.156 148 V HA 0.521 4.655 4.120 0.024 0.000 0.310 148 V C 0.004 176.231 176.094 0.222 0.000 1.234 148 V CA -1.174 61.280 62.300 0.255 0.000 1.065 148 V CB 1.534 33.557 31.823 0.333 0.000 1.088 148 V HN -0.182 nan 8.190 nan 0.000 0.451 149 L N 2.186 123.487 121.223 0.130 0.000 2.597 149 L HA 0.295 4.649 4.340 0.024 0.000 0.271 149 L C -2.255 174.573 176.870 -0.071 0.000 1.157 149 L CA -1.013 53.821 54.840 -0.010 0.000 0.928 149 L CB 0.036 42.036 42.059 -0.098 0.000 1.216 149 L HN 0.463 nan 8.230 nan 0.000 0.481 150 P HA 0.025 nan 4.420 nan 0.000 0.271 150 P C -0.582 176.553 177.300 -0.275 0.000 1.216 150 P CA -0.295 62.451 63.100 -0.591 0.000 0.771 150 P CB 0.464 31.421 31.700 -1.239 0.000 0.864 151 Q N 1.985 121.653 119.800 -0.220 0.000 2.311 151 Q HA 0.235 4.589 4.340 0.024 0.000 0.272 151 Q C 1.463 177.509 176.000 0.077 0.000 1.012 151 Q CA 1.407 57.142 55.803 -0.114 0.000 0.891 151 Q CB 0.329 28.933 28.738 -0.224 0.000 1.201 151 Q HN 0.905 nan 8.270 nan 0.000 0.391 152 G N 2.619 111.482 108.800 0.105 0.000 2.213 152 G HA2 -0.251 3.724 3.960 0.024 0.000 0.236 152 G HA3 -0.251 3.724 3.960 0.024 0.000 0.236 152 G C -0.375 174.622 174.900 0.162 0.000 0.991 152 G CA -0.020 45.181 45.100 0.169 0.000 0.629 152 G HN 0.611 nan 8.290 nan 0.000 0.517 153 W N 2.224 123.387 121.300 -0.228 0.000 2.251 153 W HA 0.626 5.300 4.660 0.024 0.000 0.329 153 W C 1.417 177.815 176.519 -0.202 0.000 1.234 153 W CA -0.217 56.924 57.345 -0.339 0.000 1.228 153 W CB 0.915 29.965 29.460 -0.682 0.000 1.135 153 W HN 0.095 nan 8.180 nan 0.000 0.576 154 K N 2.325 122.151 120.400 -0.956 0.000 2.059 154 K HA -0.186 4.148 4.320 0.024 0.000 0.212 154 K C 1.724 177.635 176.600 -1.149 0.000 1.050 154 K CA 2.156 57.925 56.287 -0.862 0.000 0.927 154 K CB -0.693 31.449 32.500 -0.598 0.000 0.714 154 K HN 0.752 nan 8.250 nan 0.000 0.447 155 G N -0.772 106.723 108.800 -2.176 0.000 2.777 155 G HA2 -0.061 3.913 3.960 0.024 0.000 0.211 155 G HA3 -0.061 3.913 3.960 0.024 0.000 0.211 155 G C 1.218 175.448 174.900 -1.118 0.000 1.149 155 G CA 0.251 44.103 45.100 -2.081 0.000 0.785 155 G HN 0.260 nan 8.290 nan 0.000 0.536 156 S N 1.806 117.079 115.700 -0.713 0.000 2.374 156 S HA -0.101 4.383 4.470 0.024 0.000 0.227 156 S C -0.014 174.127 174.600 -0.765 0.000 1.037 156 S CA 1.518 59.374 58.200 -0.573 0.000 1.024 156 S CB -0.719 62.142 63.200 -0.566 0.000 0.861 156 S HN 0.324 nan 8.310 nan 0.000 0.456 157 P HA 0.019 nan 4.420 nan 0.000 0.215 157 P C 1.533 178.732 177.300 -0.169 0.000 1.157 157 P CA 1.392 64.346 63.100 -0.244 0.000 0.863 157 P CB -0.104 31.536 31.700 -0.100 0.000 0.787 158 A N -0.586 122.050 122.820 -0.307 0.000 1.873 158 A HA -0.150 4.185 4.320 0.024 0.000 0.215 158 A C 2.221 179.677 177.584 -0.214 0.000 1.186 158 A CA 1.394 53.287 52.037 -0.240 0.000 0.616 158 A CB -1.627 17.191 19.000 -0.303 0.000 0.823 158 A HN 0.073 nan 8.150 nan 0.000 0.442 159 I N -1.557 118.829 120.570 -0.306 0.000 2.226 159 I HA -0.228 3.956 4.170 0.024 0.000 0.245 159 I C 2.411 178.451 176.117 -0.128 0.000 1.100 159 I CA 1.677 62.862 61.300 -0.191 0.000 1.374 159 I CB -0.405 37.489 38.000 -0.177 0.000 1.057 159 I HN 0.510 nan 8.210 nan 0.000 0.413 160 F N 1.804 121.588 119.950 -0.277 0.000 2.102 160 F HA -0.318 4.223 4.527 0.023 0.000 0.298 160 F C 2.734 178.466 175.800 -0.113 0.000 1.105 160 F CA 2.074 59.955 58.000 -0.198 0.000 1.239 160 F CB -0.311 38.526 39.000 -0.272 0.000 0.991 160 F HN 0.003 nan 8.300 nan 0.000 0.474 161 Q N -0.043 119.549 119.800 -0.346 0.000 2.124 161 Q HA -0.216 4.138 4.340 0.024 0.000 0.202 161 Q C 2.371 178.194 176.000 -0.295 0.000 0.977 161 Q CA 1.947 57.522 55.803 -0.381 0.000 0.850 161 Q CB -0.386 28.273 28.738 -0.132 0.000 0.901 161 Q HN 0.488 nan 8.270 nan 0.000 0.429 162 S N -0.662 114.918 115.700 -0.199 0.000 2.356 162 S HA -0.150 4.334 4.470 0.024 0.000 0.223 162 S C 1.995 176.481 174.600 -0.190 0.000 1.032 162 S CA 1.608 59.723 58.200 -0.141 0.000 1.005 162 S CB -0.384 62.765 63.200 -0.086 0.000 0.867 162 S HN 0.541 nan 8.310 nan 0.000 0.449 163 S N 1.399 116.962 115.700 -0.227 0.000 2.359 163 S HA -0.118 4.366 4.470 0.024 0.000 0.224 163 S C 1.859 176.268 174.600 -0.319 0.000 1.035 163 S CA 1.750 59.809 58.200 -0.235 0.000 1.018 163 S CB -0.536 62.555 63.200 -0.182 0.000 0.876 163 S HN 0.598 nan 8.310 nan 0.000 0.448 164 M N 1.905 121.236 119.600 -0.448 0.000 2.202 164 M HA -0.081 4.413 4.480 0.024 0.000 0.262 164 M C 1.865 177.987 176.300 -0.297 0.000 1.063 164 M CA 1.539 56.581 55.300 -0.429 0.000 1.097 164 M CB -1.214 31.015 32.600 -0.618 0.000 1.382 164 M HN 0.179 nan 8.290 nan 0.000 0.413 165 T N 0.381 114.784 114.554 -0.253 0.000 2.737 165 T HA -0.103 4.261 4.350 0.024 0.000 0.265 165 T C 1.766 176.364 174.700 -0.169 0.000 1.038 165 T CA 1.554 63.551 62.100 -0.172 0.000 1.144 165 T CB -0.092 68.701 68.868 -0.125 0.000 0.866 165 T HN 0.437 nan 8.240 nan 0.000 0.434 166 K N 0.751 121.033 120.400 -0.198 0.000 2.009 166 K HA -0.045 4.289 4.320 0.024 0.000 0.210 166 K C 2.224 178.657 176.600 -0.278 0.000 1.049 166 K CA 1.379 57.543 56.287 -0.206 0.000 0.929 166 K CB -0.429 31.936 32.500 -0.225 0.000 0.714 166 K HN 0.322 nan 8.250 nan 0.000 0.440 167 I N 1.309 121.628 120.570 -0.418 0.000 2.151 167 I HA -0.293 3.891 4.170 0.024 0.000 0.243 167 I C 1.964 177.966 176.117 -0.193 0.000 1.080 167 I CA 1.381 62.362 61.300 -0.531 0.000 1.339 167 I CB -0.367 37.267 38.000 -0.610 0.000 1.039 167 I HN 0.153 nan 8.210 nan 0.000 0.409 168 L N 0.396 121.518 121.223 -0.168 0.000 2.610 168 L HA -0.051 4.303 4.340 0.024 0.000 0.232 168 L C 2.249 179.093 176.870 -0.043 0.000 1.149 168 L CA 0.250 55.021 54.840 -0.115 0.000 0.872 168 L CB -0.530 41.456 42.059 -0.121 0.000 0.992 168 L HN 0.325 nan 8.230 nan 0.000 0.447 169 E N 1.444 121.613 120.200 -0.052 0.000 2.017 169 E HA -0.178 4.186 4.350 0.024 0.000 0.193 169 E C -0.482 176.129 176.600 0.019 0.000 0.997 169 E CA 1.328 57.718 56.400 -0.018 0.000 0.804 169 E CB -0.485 29.196 29.700 -0.031 0.000 0.757 169 E HN 0.283 nan 8.360 nan 0.000 0.448 170 P HA -0.197 nan 4.420 nan 0.000 0.214 170 P C 1.537 178.857 177.300 0.032 0.000 1.163 170 P CA 1.249 64.389 63.100 0.067 0.000 0.883 170 P CB -0.392 31.404 31.700 0.160 0.000 0.788 171 F N 1.120 120.975 119.950 -0.159 0.000 2.120 171 F HA -0.208 4.333 4.527 0.023 0.000 0.300 171 F C 2.700 178.431 175.800 -0.115 0.000 1.095 171 F CA 1.701 59.582 58.000 -0.198 0.000 1.249 171 F CB -0.454 38.327 39.000 -0.365 0.000 0.995 171 F HN -0.278 nan 8.300 nan 0.000 0.480 172 R N 0.286 120.860 120.500 0.123 0.000 2.081 172 R HA -0.153 4.201 4.340 0.024 0.000 0.235 172 R C 2.199 178.478 176.300 -0.036 0.000 1.131 172 R CA 1.867 58.004 56.100 0.062 0.000 0.960 172 R CB -0.198 30.137 30.300 0.058 0.000 0.856 172 R HN 0.257 nan 8.270 nan 0.000 0.436 173 K N 0.030 120.407 120.400 -0.039 0.000 2.211 173 K HA -0.164 4.170 4.320 0.024 0.000 0.203 173 K C 1.885 178.432 176.600 -0.088 0.000 1.050 173 K CA 1.292 57.551 56.287 -0.046 0.000 0.945 173 K CB 0.067 32.552 32.500 -0.024 0.000 0.732 173 K HN 0.319 nan 8.250 nan 0.000 0.451 174 Q N 0.044 119.751 119.800 -0.155 0.000 2.425 174 Q HA 0.068 4.423 4.340 0.024 0.000 0.204 174 Q C 0.067 175.901 176.000 -0.276 0.000 0.933 174 Q CA 0.393 56.072 55.803 -0.207 0.000 0.939 174 Q CB 0.425 29.012 28.738 -0.253 0.000 1.044 174 Q HN 0.206 nan 8.270 nan 0.000 0.513 175 N N 0.664 119.186 118.700 -0.296 0.000 2.664 175 N HA 0.102 4.856 4.740 0.024 0.000 0.287 175 N C -2.286 173.157 175.510 -0.111 0.000 1.869 175 N CA -0.691 52.204 53.050 -0.258 0.000 0.832 175 N CB 1.153 39.357 38.487 -0.472 0.000 1.293 175 N HN 0.079 nan 8.380 nan 0.000 0.498 176 P HA -0.128 nan 4.420 nan 0.000 0.222 176 P C 0.458 177.753 177.300 -0.008 0.000 1.142 176 P CA 1.107 64.190 63.100 -0.028 0.000 0.788 176 P CB 0.579 32.263 31.700 -0.027 0.000 0.767 177 D N 0.029 120.422 120.400 -0.012 0.000 2.162 177 D HA 0.036 4.690 4.640 0.024 0.000 0.203 177 D C 1.299 177.619 176.300 0.033 0.000 0.967 177 D CA 0.475 54.480 54.000 0.009 0.000 0.840 177 D CB 0.010 40.814 40.800 0.006 0.000 0.972 177 D HN 0.274 nan 8.370 nan 0.000 0.482 178 I N 1.421 122.014 120.570 0.040 0.000 2.634 178 I HA 0.031 4.215 4.170 0.024 0.000 0.284 178 I C 0.250 176.418 176.117 0.084 0.000 1.124 178 I CA -0.291 61.060 61.300 0.085 0.000 1.417 178 I CB 1.602 39.677 38.000 0.125 0.000 1.396 178 I HN -0.252 nan 8.210 nan 0.000 0.571 179 V N 7.782 127.749 119.914 0.089 0.000 2.483 179 V HA 0.552 4.687 4.120 0.024 0.000 0.297 179 V C -0.611 175.523 176.094 0.067 0.000 1.027 179 V CA -0.366 61.976 62.300 0.069 0.000 0.855 179 V CB 1.500 33.354 31.823 0.053 0.000 0.995 179 V HN 0.543 nan 8.190 nan 0.000 0.424 180 I N 6.524 127.127 120.570 0.054 0.000 2.389 180 I HA 0.487 4.672 4.170 0.024 0.000 0.288 180 I C -0.257 175.882 176.117 0.038 0.000 0.999 180 I CA -0.330 60.989 61.300 0.032 0.000 1.129 180 I CB 1.569 39.567 38.000 -0.003 0.000 1.288 180 I HN 0.539 nan 8.210 nan 0.000 0.444 181 C N 4.786 124.127 119.300 0.067 0.000 2.341 181 C HA 0.402 4.876 4.460 0.024 0.000 0.338 181 C C 0.204 175.283 174.990 0.148 0.000 1.257 181 C CA -0.512 58.567 59.018 0.102 0.000 1.883 181 C CB 0.837 28.632 27.740 0.091 0.000 2.334 181 C HN 0.655 nan 8.230 nan 0.000 0.524 182 Q N 1.329 121.213 119.800 0.140 0.000 2.348 182 Q HA 0.462 4.816 4.340 0.024 0.000 0.265 182 Q C -1.589 174.571 176.000 0.268 0.000 0.998 182 Q CA -0.227 55.660 55.803 0.141 0.000 0.831 182 Q CB 1.500 30.264 28.738 0.043 0.000 1.251 182 Q HN 0.794 nan 8.270 nan 0.000 0.456 183 Y N 5.227 125.643 120.300 0.194 0.000 2.301 183 Y HA 0.256 4.820 4.550 0.024 0.000 0.325 183 Y C -0.178 175.878 175.900 0.260 0.000 1.103 183 Y CA -0.328 57.923 58.100 0.253 0.000 1.182 183 Y CB 0.517 39.198 38.460 0.368 0.000 1.139 183 Y HN 0.856 nan 8.280 nan 0.000 0.443 184 M N 1.271 120.824 119.600 -0.079 0.000 7.319 184 M HA -0.350 4.144 4.480 0.024 0.000 0.134 184 M C -0.284 176.159 176.300 0.239 0.000 0.480 184 M CA 1.898 57.212 55.300 0.024 0.000 1.311 184 M CB -0.714 31.874 32.600 -0.020 0.000 0.421 184 M HN 0.636 nan 8.290 nan 0.000 0.325 185 D N 1.761 122.241 120.400 0.133 0.000 2.400 185 D HA 0.219 4.873 4.640 0.024 0.000 0.243 185 D C -0.581 175.785 176.300 0.111 0.000 1.184 185 D CA 0.693 54.749 54.000 0.094 0.000 0.853 185 D CB -0.313 40.373 40.800 -0.190 0.000 0.944 185 D HN 0.249 nan 8.370 nan 0.000 0.501 186 D N 0.008 120.492 120.400 0.140 0.000 2.601 186 D HA 0.387 5.041 4.640 0.024 0.000 0.230 186 D C -0.394 175.786 176.300 -0.200 0.000 1.106 186 D CA -0.520 53.439 54.000 -0.069 0.000 0.873 186 D CB 2.524 43.264 40.800 -0.099 0.000 1.515 186 D HN -0.092 nan 8.370 nan 0.000 0.468 187 L N 1.979 122.926 121.223 -0.460 0.000 2.381 187 L HA 0.399 4.753 4.340 0.024 0.000 0.274 187 L C -1.296 175.145 176.870 -0.715 0.000 0.988 187 L CA -0.823 53.779 54.840 -0.397 0.000 0.824 187 L CB 1.421 43.345 42.059 -0.226 0.000 1.263 187 L HN 0.289 nan 8.230 nan 0.000 0.410 188 Y N 2.554 122.788 120.300 -0.110 0.000 2.328 188 Y HA 0.494 5.059 4.550 0.024 0.000 0.333 188 Y C -0.143 175.702 175.900 -0.091 0.000 0.958 188 Y CA -0.894 57.111 58.100 -0.160 0.000 1.167 188 Y CB 1.921 40.225 38.460 -0.259 0.000 1.151 188 Y HN 0.133 nan 8.280 nan 0.000 0.470 189 V N 3.366 123.297 119.914 0.028 0.000 2.409 189 V HA 0.852 4.986 4.120 0.024 0.000 0.291 189 V C 0.239 176.450 176.094 0.195 0.000 1.020 189 V CA -0.608 61.733 62.300 0.068 0.000 0.848 189 V CB 1.281 33.103 31.823 -0.001 0.000 0.990 189 V HN 0.920 nan 8.190 nan 0.000 0.430 190 G N 2.823 111.734 108.800 0.185 0.000 2.605 190 G HA2 0.875 4.849 3.960 0.024 0.000 0.296 190 G HA3 0.875 4.849 3.960 0.024 0.000 0.296 190 G C -0.783 174.243 174.900 0.210 0.000 1.304 190 G CA -0.158 45.065 45.100 0.205 0.000 0.941 190 G HN 1.106 nan 8.290 nan 0.000 0.475 191 S N -1.058 114.744 115.700 0.169 0.000 2.627 191 S HA 0.399 4.883 4.470 0.024 0.000 0.268 191 S C -1.356 173.289 174.600 0.075 0.000 1.130 191 S CA -0.741 57.549 58.200 0.150 0.000 0.819 191 S CB 1.887 65.237 63.200 0.250 0.000 1.100 191 S HN 0.343 nan 8.310 nan 0.000 0.465 192 D N 0.961 121.397 120.400 0.060 0.000 2.427 192 D HA 0.325 4.979 4.640 0.024 0.000 0.224 192 D C 0.176 176.502 176.300 0.044 0.000 1.157 192 D CA 0.017 54.036 54.000 0.032 0.000 0.828 192 D CB 0.081 40.892 40.800 0.019 0.000 0.974 192 D HN 0.416 nan 8.370 nan 0.000 0.498 193 L N 0.702 121.973 121.223 0.080 0.000 2.466 193 L HA 0.182 4.536 4.340 0.024 0.000 0.257 193 L C 0.974 177.888 176.870 0.074 0.000 1.189 193 L CA -0.464 54.425 54.840 0.082 0.000 0.813 193 L CB 0.658 42.788 42.059 0.118 0.000 1.118 193 L HN -0.204 nan 8.230 nan 0.000 0.471 194 E N 1.052 121.289 120.200 0.061 0.000 2.414 194 E HA -0.051 4.313 4.350 0.024 0.000 0.263 194 E C 1.313 177.959 176.600 0.077 0.000 1.000 194 E CA -0.037 56.394 56.400 0.052 0.000 0.914 194 E CB 0.844 30.569 29.700 0.041 0.000 0.948 194 E HN 0.544 nan 8.360 nan 0.000 0.444 195 I N 0.676 121.283 120.570 0.060 0.000 2.290 195 I HA -0.252 3.932 4.170 0.024 0.000 0.253 195 I C 1.589 177.772 176.117 0.109 0.000 1.112 195 I CA 2.014 63.361 61.300 0.078 0.000 1.377 195 I CB -0.336 37.689 38.000 0.042 0.000 1.060 195 I HN 0.552 nan 8.210 nan 0.000 0.428 196 G N 0.253 109.102 108.800 0.081 0.000 2.408 196 G HA2 -0.118 3.856 3.960 0.024 0.000 0.215 196 G HA3 -0.118 3.856 3.960 0.024 0.000 0.215 196 G C 1.552 176.501 174.900 0.081 0.000 1.156 196 G CA 0.529 45.673 45.100 0.074 0.000 0.793 196 G HN 0.582 nan 8.290 nan 0.000 0.535 197 Q N -0.480 119.370 119.800 0.084 0.000 2.046 197 Q HA -0.100 4.254 4.340 0.024 0.000 0.200 197 Q C 2.217 178.274 176.000 0.095 0.000 0.975 197 Q CA 1.366 57.213 55.803 0.074 0.000 0.836 197 Q CB -0.307 28.470 28.738 0.065 0.000 0.896 197 Q HN 0.679 nan 8.270 nan 0.000 0.428 198 H N 1.347 120.444 119.070 0.045 0.000 2.265 198 H HA -0.145 4.425 4.556 0.024 0.000 0.295 198 H C 2.230 177.595 175.328 0.062 0.000 1.084 198 H CA 2.196 58.277 56.048 0.055 0.000 1.261 198 H CB 0.013 29.805 29.762 0.051 0.000 1.360 198 H HN 0.010 nan 8.280 nan 0.000 0.487 199 R N -0.203 120.391 120.500 0.158 0.000 2.133 199 R HA -0.155 4.199 4.340 0.024 0.000 0.247 199 R C 1.830 178.149 176.300 0.032 0.000 1.151 199 R CA 2.117 58.274 56.100 0.094 0.000 0.971 199 R CB -0.675 29.692 30.300 0.111 0.000 0.866 199 R HN 0.467 nan 8.270 nan 0.000 0.447 200 T N 1.302 115.878 114.554 0.037 0.000 2.777 200 T HA -0.046 4.319 4.350 0.024 0.000 0.266 200 T C 1.738 176.459 174.700 0.035 0.000 1.040 200 T CA 1.029 63.151 62.100 0.036 0.000 1.141 200 T CB -0.010 68.881 68.868 0.039 0.000 0.868 200 T HN 0.184 nan 8.240 nan 0.000 0.444 201 K N 0.918 121.328 120.400 0.015 0.000 2.097 201 K HA 0.090 4.424 4.320 0.024 0.000 0.205 201 K C 2.225 178.859 176.600 0.058 0.000 1.050 201 K CA 0.574 56.905 56.287 0.073 0.000 0.938 201 K CB -0.491 32.041 32.500 0.054 0.000 0.718 201 K HN 0.302 nan 8.250 nan 0.000 0.442 202 I N 1.255 121.773 120.570 -0.086 0.000 2.127 202 I HA -0.249 3.935 4.170 0.024 0.000 0.241 202 I C 2.303 178.398 176.117 -0.036 0.000 1.075 202 I CA 1.407 62.644 61.300 -0.106 0.000 1.334 202 I CB -0.992 36.947 38.000 -0.100 0.000 1.040 202 I HN 0.182 nan 8.210 nan 0.000 0.405 203 E N 1.088 121.291 120.200 0.005 0.000 2.204 203 E HA -0.245 4.119 4.350 0.024 0.000 0.195 203 E C 2.084 178.718 176.600 0.057 0.000 0.990 203 E CA 1.329 57.746 56.400 0.029 0.000 0.821 203 E CB -0.173 29.550 29.700 0.038 0.000 0.750 203 E HN 0.467 nan 8.360 nan 0.000 0.477 204 E N -0.279 119.977 120.200 0.094 0.000 2.072 204 E HA -0.153 4.211 4.350 0.024 0.000 0.191 204 E C 2.107 178.811 176.600 0.173 0.000 0.985 204 E CA 0.932 57.435 56.400 0.170 0.000 0.801 204 E CB -0.166 29.689 29.700 0.259 0.000 0.750 204 E HN 0.356 nan 8.360 nan 0.000 0.452 205 L N 0.519 121.756 121.223 0.023 0.000 2.027 205 L HA -0.192 4.162 4.340 0.024 0.000 0.206 205 L C 2.667 179.503 176.870 -0.057 0.000 1.074 205 L CA 1.271 55.957 54.840 -0.257 0.000 0.745 205 L CB -0.219 41.477 42.059 -0.604 0.000 0.898 205 L HN 0.156 nan 8.230 nan 0.000 0.433 206 R N -0.545 119.936 120.500 -0.032 0.000 2.097 206 R HA -0.258 4.096 4.340 0.024 0.000 0.236 206 R C 2.221 178.555 176.300 0.056 0.000 1.135 206 R CA 2.089 58.194 56.100 0.008 0.000 0.934 206 R CB -0.516 29.791 30.300 0.012 0.000 0.846 206 R HN 0.523 nan 8.270 nan 0.000 0.431 207 Q N -0.737 119.105 119.800 0.071 0.000 2.112 207 Q HA -0.238 4.116 4.340 0.024 0.000 0.206 207 Q C 2.226 178.294 176.000 0.114 0.000 0.987 207 Q CA 1.541 57.393 55.803 0.081 0.000 0.858 207 Q CB -0.278 28.510 28.738 0.084 0.000 0.905 207 Q HN 0.519 nan 8.270 nan 0.000 0.420 208 H N 0.713 119.829 119.070 0.076 0.000 2.357 208 H HA -0.048 4.522 4.556 0.024 0.000 0.301 208 H C 1.960 177.425 175.328 0.229 0.000 1.082 208 H CA 1.146 57.284 56.048 0.149 0.000 1.342 208 H CB 0.002 29.864 29.762 0.166 0.000 1.389 208 H HN 0.210 nan 8.280 nan 0.000 0.511 209 L N 0.059 121.443 121.223 0.268 0.000 2.093 209 L HA -0.176 4.178 4.340 0.024 0.000 0.208 209 L C 2.818 179.789 176.870 0.168 0.000 1.085 209 L CA 0.445 55.420 54.840 0.226 0.000 0.755 209 L CB -0.381 41.748 42.059 0.116 0.000 0.904 209 L HN 0.192 nan 8.230 nan 0.000 0.435 210 L N 0.222 121.505 121.223 0.100 0.000 2.013 210 L HA -0.257 4.097 4.340 0.024 0.000 0.212 210 L C 2.799 179.685 176.870 0.026 0.000 1.073 210 L CA 1.734 56.611 54.840 0.061 0.000 0.753 210 L CB -0.641 41.441 42.059 0.038 0.000 0.890 210 L HN 0.168 nan 8.230 nan 0.000 0.432 211 R N -1.474 119.003 120.500 -0.038 0.000 2.154 211 R HA -0.249 4.105 4.340 0.024 0.000 0.248 211 R C 1.347 177.485 176.300 -0.271 0.000 1.155 211 R CA 2.173 58.152 56.100 -0.202 0.000 0.979 211 R CB -0.470 29.620 30.300 -0.350 0.000 0.869 211 R HN 0.474 nan 8.270 nan 0.000 0.452 212 W N -0.309 120.922 121.300 -0.115 0.000 3.325 212 W HA 0.330 5.004 4.660 0.024 0.000 0.370 212 W C 0.954 177.465 176.519 -0.014 0.000 1.169 212 W CA 0.409 57.714 57.345 -0.068 0.000 1.874 212 W CB 0.457 29.872 29.460 -0.075 0.000 1.076 212 W HN 0.352 nan 8.180 nan 0.000 0.684 213 G N 0.695 109.587 108.800 0.154 0.000 2.137 213 G HA2 -0.279 3.696 3.960 0.024 0.000 0.237 213 G HA3 -0.279 3.696 3.960 0.024 0.000 0.237 213 G C -0.570 174.414 174.900 0.140 0.000 1.002 213 G CA -0.439 44.737 45.100 0.127 0.000 0.702 213 G HN 0.085 nan 8.290 nan 0.000 0.515 214 L N 2.293 123.603 121.223 0.145 0.000 2.335 214 L HA 0.470 4.824 4.340 0.024 0.000 0.268 214 L C 1.097 178.021 176.870 0.091 0.000 1.037 214 L CA -0.083 54.836 54.840 0.132 0.000 0.895 214 L CB 1.041 43.188 42.059 0.147 0.000 1.266 214 L HN 0.365 nan 8.230 nan 0.000 0.439 215 T N -1.342 113.254 114.554 0.071 0.000 2.888 215 T HA 0.275 4.639 4.350 0.024 0.000 0.301 215 T C 0.452 175.169 174.700 0.029 0.000 1.001 215 T CA -0.284 61.842 62.100 0.044 0.000 1.147 215 T CB 0.731 69.618 68.868 0.032 0.000 0.931 215 T HN 0.429 nan 8.240 nan 0.000 0.541 216 T N 3.641 118.208 114.554 0.021 0.000 2.952 216 T HA 0.564 4.928 4.350 0.024 0.000 0.286 216 T C -2.223 172.479 174.700 0.005 0.000 1.024 216 T CA -1.601 60.503 62.100 0.007 0.000 1.029 216 T CB 0.585 69.456 68.868 0.005 0.000 1.094 216 T HN 0.568 nan 8.240 nan 0.000 0.515 217 P HA 0.086 nan 4.420 nan 0.000 0.271 217 P C -0.916 176.424 177.300 0.066 0.000 1.212 217 P CA 0.101 63.220 63.100 0.032 0.000 0.788 217 P CB 0.278 32.014 31.700 0.060 0.000 0.865 218 D N -1.457 119.016 120.400 0.122 0.000 2.506 218 D HA 0.274 4.928 4.640 0.024 0.000 0.254 218 D C 0.394 176.760 176.300 0.111 0.000 1.089 218 D CA -0.831 53.235 54.000 0.111 0.000 1.050 218 D CB 0.737 41.613 40.800 0.126 0.000 1.221 218 D HN 0.081 nan 8.370 nan 0.000 0.589 219 K N -0.801 119.646 120.400 0.079 0.000 2.280 219 K HA -0.145 4.189 4.320 0.024 0.000 0.202 219 K C 1.609 178.237 176.600 0.047 0.000 1.047 219 K CA 0.912 57.236 56.287 0.062 0.000 0.942 219 K CB -0.034 32.495 32.500 0.047 0.000 0.739 219 K HN 0.334 nan 8.250 nan 0.000 0.457 220 K N 0.043 120.462 120.400 0.032 0.000 2.305 220 K HA -0.063 4.271 4.320 0.024 0.000 0.199 220 K C 1.085 177.598 176.600 -0.144 0.000 1.047 220 K CA 0.978 57.228 56.287 -0.062 0.000 0.976 220 K CB 0.188 32.619 32.500 -0.115 0.000 0.765 220 K HN 0.234 nan 8.250 nan 0.000 0.474 221 H N -0.367 118.725 119.070 0.037 0.000 2.595 221 H HA 0.167 4.737 4.556 0.024 0.000 0.265 221 H C -0.022 175.335 175.328 0.049 0.000 0.953 221 H CA -0.229 55.843 56.048 0.039 0.000 1.197 221 H CB 0.519 30.299 29.762 0.029 0.000 1.438 221 H HN 0.000 nan 8.280 nan 0.000 0.531 222 Q N 2.108 121.999 119.800 0.151 0.000 2.263 222 Q HA 0.015 4.370 4.340 0.024 0.000 0.289 222 Q C -0.156 175.927 176.000 0.138 0.000 1.061 222 Q CA 0.699 56.578 55.803 0.126 0.000 0.927 222 Q CB 0.628 29.429 28.738 0.106 0.000 1.154 222 Q HN 0.462 nan 8.270 nan 0.000 0.378 223 K N 2.200 122.702 120.400 0.171 0.000 2.087 223 K HA 0.393 4.727 4.320 0.024 0.000 0.255 223 K C -0.057 176.749 176.600 0.342 0.000 0.988 223 K CA -0.608 55.828 56.287 0.248 0.000 0.915 223 K CB 0.998 33.668 32.500 0.283 0.000 1.043 223 K HN 0.375 nan 8.250 nan 0.000 0.457 224 E N 1.091 121.486 120.200 0.324 0.000 2.356 224 E HA 0.299 4.663 4.350 0.024 0.000 0.275 224 E C -2.685 173.820 176.600 -0.159 0.000 0.904 224 E CA -2.343 54.166 56.400 0.182 0.000 0.757 224 E CB 1.368 31.119 29.700 0.086 0.000 1.232 224 E HN 0.302 nan 8.360 nan 0.000 0.442 225 P HA 0.048 nan 4.420 nan 0.000 0.266 225 P C -2.042 175.068 177.300 -0.317 0.000 1.193 225 P CA -0.474 62.103 63.100 -0.872 0.000 0.770 225 P CB -0.190 31.148 31.700 -0.603 0.000 0.836 226 P HA 0.242 nan 4.420 nan 0.000 0.275 226 P C -1.093 175.964 177.300 -0.406 0.000 1.266 226 P CA 0.053 62.917 63.100 -0.395 0.000 0.793 226 P CB 0.509 32.004 31.700 -0.341 0.000 1.074 227 F N -0.901 119.062 119.950 0.022 0.000 2.495 227 F HA 0.362 4.903 4.527 0.023 0.000 0.327 227 F C 0.483 176.359 175.800 0.127 0.000 1.103 227 F CA -0.985 57.068 58.000 0.087 0.000 0.949 227 F CB 1.085 40.137 39.000 0.087 0.000 1.142 227 F HN -0.014 nan 8.300 nan 0.000 0.457 228 L N 3.445 124.884 121.223 0.361 0.000 2.325 228 L HA 0.153 4.507 4.340 0.024 0.000 0.284 228 L C -0.682 176.396 176.870 0.346 0.000 1.089 228 L CA -0.070 54.930 54.840 0.266 0.000 0.836 228 L CB 0.575 42.737 42.059 0.172 0.000 1.184 228 L HN 0.661 nan 8.230 nan 0.000 0.444 229 W N 7.182 128.530 121.300 0.079 0.000 2.521 229 W HA 0.237 4.911 4.660 0.023 0.000 0.310 229 W C -0.576 175.984 176.519 0.068 0.000 1.000 229 W CA -1.076 56.273 57.345 0.006 0.000 1.353 229 W CB 1.519 30.932 29.460 -0.078 0.000 1.276 229 W HN 0.515 nan 8.180 nan 0.000 0.417 230 M N 4.637 123.917 119.600 -0.534 0.000 2.259 230 M HA -0.219 4.275 4.480 0.024 0.000 0.188 230 M C 1.087 177.318 176.300 -0.114 0.000 0.665 230 M CA 1.919 56.984 55.300 -0.391 0.000 0.464 230 M CB -1.654 30.628 32.600 -0.529 0.000 1.063 230 M HN 0.815 nan 8.290 nan 0.000 0.912 231 G N -2.216 106.514 108.800 -0.117 0.000 2.148 231 G HA2 -0.308 3.666 3.960 0.024 0.000 0.254 231 G HA3 -0.308 3.666 3.960 0.024 0.000 0.254 231 G C -0.221 174.576 174.900 -0.172 0.000 0.981 231 G CA 0.259 45.270 45.100 -0.148 0.000 0.670 231 G HN 0.634 nan 8.290 nan 0.000 0.528 232 Y N 0.056 120.389 120.300 0.055 0.000 2.487 232 Y HA 0.623 5.187 4.550 0.023 0.000 0.337 232 Y C 0.532 176.511 175.900 0.132 0.000 1.076 232 Y CA -0.902 57.253 58.100 0.091 0.000 1.115 232 Y CB 1.560 40.032 38.460 0.019 0.000 1.235 232 Y HN 0.110 nan 8.280 nan 0.000 0.468 233 E N 3.220 123.596 120.200 0.293 0.000 2.141 233 E HA 0.359 4.723 4.350 0.024 0.000 0.259 233 E C -1.391 175.210 176.600 0.001 0.000 0.883 233 E CA -0.397 56.057 56.400 0.091 0.000 0.744 233 E CB 1.070 30.789 29.700 0.033 0.000 1.150 233 E HN 0.436 nan 8.360 nan 0.000 0.420 234 L N 5.017 126.271 121.223 0.051 0.000 2.261 234 L HA 0.330 4.684 4.340 0.024 0.000 0.289 234 L C 0.333 177.177 176.870 -0.044 0.000 1.059 234 L CA -0.484 54.466 54.840 0.183 0.000 0.816 234 L CB -0.017 42.245 42.059 0.339 0.000 1.191 234 L HN 0.448 nan 8.230 nan 0.000 0.431 235 H N 3.331 122.574 119.070 0.288 0.000 2.570 235 H HA 0.265 4.835 4.556 0.023 0.000 0.342 235 H C -1.614 173.863 175.328 0.247 0.000 1.245 235 H CA -2.069 54.071 56.048 0.152 0.000 1.318 235 H CB 1.123 30.949 29.762 0.107 0.000 1.694 235 H HN 0.258 nan 8.280 nan 0.000 0.592 236 P HA -0.139 nan 4.420 nan 0.000 0.216 236 P C 0.541 178.031 177.300 0.317 0.000 1.150 236 P CA 1.690 64.915 63.100 0.209 0.000 0.837 236 P CB 0.274 32.039 31.700 0.108 0.000 0.786 237 D N -2.017 118.565 120.400 0.304 0.000 2.535 237 D HA 0.114 4.768 4.640 0.024 0.000 0.229 237 D C 0.247 176.619 176.300 0.121 0.000 1.238 237 D CA -0.088 54.065 54.000 0.255 0.000 0.824 237 D CB 0.029 40.900 40.800 0.118 0.000 1.045 237 D HN 0.276 nan 8.370 nan 0.000 0.500 238 K N -1.095 119.354 120.400 0.082 0.000 2.736 238 K HA 0.371 4.705 4.320 0.024 0.000 0.290 238 K C -1.513 175.038 176.600 -0.081 0.000 1.033 238 K CA -1.150 54.974 56.287 -0.273 0.000 0.852 238 K CB 0.700 33.140 32.500 -0.100 0.000 1.494 238 K HN 0.085 nan 8.250 nan 0.000 0.378 239 W N 0.679 121.909 121.300 -0.116 0.000 2.799 239 W HA 0.738 5.411 4.660 0.022 0.000 0.349 239 W C -1.128 175.525 176.519 0.224 0.000 1.100 239 W CA -0.769 56.627 57.345 0.085 0.000 1.174 239 W CB 1.530 31.005 29.460 0.024 0.000 1.427 239 W HN 0.934 nan 8.180 nan 0.000 0.547 240 T N -1.187 113.873 114.554 0.844 0.000 2.778 240 T HA 0.537 4.901 4.350 0.024 0.000 0.293 240 T C -0.995 174.047 174.700 0.570 0.000 1.144 240 T CA -0.743 61.774 62.100 0.695 0.000 1.010 240 T CB 1.529 70.667 68.868 0.451 0.000 1.325 240 T HN 0.847 nan 8.240 nan 0.000 0.515 241 V N 0.685 120.797 119.914 0.329 0.000 2.483 241 V HA 0.502 4.636 4.120 0.024 0.000 0.295 241 V C -0.178 175.995 176.094 0.131 0.000 1.035 241 V CA -0.677 61.666 62.300 0.072 0.000 0.896 241 V CB 1.235 33.033 31.823 -0.041 0.000 0.986 241 V HN 1.009 nan 8.190 nan 0.000 0.447 242 Q N 6.137 125.980 119.800 0.071 0.000 2.286 242 Q HA 0.191 4.545 4.340 0.024 0.000 0.290 242 Q C -2.229 173.833 176.000 0.102 0.000 1.049 242 Q CA -1.004 54.848 55.803 0.082 0.000 0.923 242 Q CB -0.085 28.671 28.738 0.030 0.000 1.183 242 Q HN 0.633 nan 8.270 nan 0.000 0.383 243 P HA -0.131 nan 4.420 nan 0.000 0.263 243 P C -0.785 176.561 177.300 0.078 0.000 1.168 243 P CA 0.817 63.980 63.100 0.104 0.000 0.759 243 P CB 0.372 32.116 31.700 0.073 0.000 0.782 244 I N 2.852 123.473 120.570 0.085 0.000 2.353 244 I HA 0.239 4.423 4.170 0.024 0.000 0.293 244 I C 0.344 176.470 176.117 0.015 0.000 0.992 244 I CA -1.027 60.306 61.300 0.055 0.000 1.268 244 I CB 1.396 39.454 38.000 0.096 0.000 1.387 244 I HN 0.092 nan 8.210 nan 0.000 0.478 245 V N 5.979 125.897 119.914 0.007 0.000 2.370 245 V HA 0.508 4.642 4.120 0.024 0.000 0.283 245 V C -0.420 175.687 176.094 0.021 0.000 1.023 245 V CA -0.596 61.709 62.300 0.007 0.000 0.857 245 V CB 1.369 33.193 31.823 0.001 0.000 0.985 245 V HN 0.548 nan 8.190 nan 0.000 0.443 246 L N 7.464 128.707 121.223 0.034 0.000 2.321 246 L HA 0.442 4.796 4.340 0.024 0.000 0.272 246 L C -1.918 175.023 176.870 0.117 0.000 1.050 246 L CA -1.590 53.297 54.840 0.078 0.000 0.893 246 L CB 1.586 43.682 42.059 0.061 0.000 1.272 246 L HN 0.557 nan 8.230 nan 0.000 0.435 247 P HA -0.093 nan 4.420 nan 0.000 0.255 247 P C -0.282 177.067 177.300 0.082 0.000 1.173 247 P CA 0.091 63.220 63.100 0.049 0.000 0.780 247 P CB 0.644 32.331 31.700 -0.021 0.000 0.758 248 E N 4.054 124.278 120.200 0.041 0.000 2.338 248 E HA 0.244 4.608 4.350 0.024 0.000 0.272 248 E C -0.477 176.056 176.600 -0.111 0.000 1.029 248 E CA 0.086 56.530 56.400 0.074 0.000 0.872 248 E CB 0.528 30.261 29.700 0.054 0.000 1.015 248 E HN 0.311 nan 8.360 nan 0.000 0.417 249 K N 2.828 123.142 120.400 -0.144 0.000 2.548 249 K HA 0.365 4.699 4.320 0.024 0.000 0.282 249 K C -0.974 175.534 176.600 -0.154 0.000 1.006 249 K CA -0.771 55.272 56.287 -0.406 0.000 0.892 249 K CB 1.489 33.314 32.500 -1.125 0.000 1.499 249 K HN 0.342 nan 8.250 nan 0.000 0.433 250 D N 0.420 120.718 120.400 -0.169 0.000 2.571 250 D HA 0.095 4.749 4.640 0.024 0.000 0.239 250 D C -0.994 175.290 176.300 -0.026 0.000 1.267 250 D CA 0.316 54.309 54.000 -0.011 0.000 0.823 250 D CB 1.164 41.959 40.800 -0.009 0.000 1.056 250 D HN 0.263 nan 8.370 nan 0.000 0.494 251 S N 0.525 116.119 115.700 -0.176 0.000 2.392 251 S HA 0.283 4.768 4.470 0.024 0.000 0.246 251 S C -2.036 172.424 174.600 -0.234 0.000 0.999 251 S CA -0.642 57.499 58.200 -0.098 0.000 1.059 251 S CB 0.028 63.171 63.200 -0.094 0.000 1.194 251 S HN 0.066 nan 8.310 nan 0.000 0.421 252 W N 3.237 124.532 121.300 -0.009 0.000 2.475 252 W HA 0.547 5.222 4.660 0.025 0.000 0.317 252 W C 0.845 177.359 176.519 -0.008 0.000 1.046 252 W CA -0.548 56.792 57.345 -0.009 0.000 1.215 252 W CB 1.469 30.924 29.460 -0.009 0.000 1.335 252 W HN 0.600 nan 8.180 nan 0.000 0.471 253 T N -1.363 113.306 114.554 0.192 0.000 2.862 253 T HA 0.283 4.647 4.350 0.024 0.000 0.276 253 T C 0.908 175.685 174.700 0.127 0.000 0.974 253 T CA -0.652 61.519 62.100 0.118 0.000 0.966 253 T CB 1.260 70.163 68.868 0.058 0.000 1.072 253 T HN 0.208 nan 8.240 nan 0.000 0.538 254 V N 1.804 121.766 119.914 0.079 0.000 2.282 254 V HA -0.201 3.933 4.120 0.024 0.000 0.249 254 V C 2.999 179.132 176.094 0.066 0.000 1.057 254 V CA 2.260 64.597 62.300 0.062 0.000 1.032 254 V CB -1.082 30.765 31.823 0.039 0.000 0.645 254 V HN 0.922 nan 8.190 nan 0.000 0.447 255 N N 0.103 118.837 118.700 0.058 0.000 2.104 255 N HA -0.197 4.557 4.740 0.024 0.000 0.190 255 N C 1.553 177.110 175.510 0.077 0.000 1.024 255 N CA 1.885 54.966 53.050 0.051 0.000 0.853 255 N CB -0.273 38.234 38.487 0.034 0.000 1.008 255 N HN 0.522 nan 8.380 nan 0.000 0.424 256 D N 0.659 121.130 120.400 0.119 0.000 2.117 256 D HA -0.084 4.570 4.640 0.024 0.000 0.197 256 D C 2.149 178.594 176.300 0.242 0.000 0.987 256 D CA 0.608 54.727 54.000 0.199 0.000 0.829 256 D CB -0.241 40.729 40.800 0.284 0.000 0.961 256 D HN 0.386 nan 8.370 nan 0.000 0.460 257 I N 0.960 121.646 120.570 0.192 0.000 2.179 257 I HA -0.280 3.905 4.170 0.024 0.000 0.242 257 I C 2.511 178.652 176.117 0.040 0.000 1.088 257 I CA 1.101 62.446 61.300 0.075 0.000 1.357 257 I CB -0.315 37.697 38.000 0.019 0.000 1.051 257 I HN -0.025 nan 8.210 nan 0.000 0.409 258 Q N 0.677 120.504 119.800 0.045 0.000 2.050 258 Q HA -0.267 4.087 4.340 0.024 0.000 0.202 258 Q C 2.186 178.207 176.000 0.036 0.000 0.980 258 Q CA 1.535 57.357 55.803 0.031 0.000 0.840 258 Q CB -0.217 28.538 28.738 0.028 0.000 0.898 258 Q HN 0.241 nan 8.270 nan 0.000 0.424 259 K N 1.235 121.665 120.400 0.049 0.000 2.015 259 K HA -0.230 4.104 4.320 0.024 0.000 0.216 259 K C 1.872 178.501 176.600 0.048 0.000 1.052 259 K CA 1.341 57.655 56.287 0.044 0.000 0.937 259 K CB -0.668 31.866 32.500 0.057 0.000 0.719 259 K HN 0.144 nan 8.250 nan 0.000 0.446 260 L N 0.165 121.432 121.223 0.072 0.000 1.990 260 L HA -0.169 4.185 4.340 0.024 0.000 0.213 260 L C 2.062 178.948 176.870 0.027 0.000 1.072 260 L CA 1.695 56.570 54.840 0.059 0.000 0.755 260 L CB -0.656 41.431 42.059 0.047 0.000 0.889 260 L HN 0.128 nan 8.230 nan 0.000 0.432 261 V N 0.288 120.210 119.914 0.013 0.000 2.332 261 V HA -0.273 3.861 4.120 0.024 0.000 0.248 261 V C 2.651 178.769 176.094 0.040 0.000 1.055 261 V CA 1.862 64.169 62.300 0.012 0.000 1.038 261 V CB -1.824 30.003 31.823 0.006 0.000 0.651 261 V HN 0.676 nan 8.190 nan 0.000 0.450 262 G N -0.331 108.495 108.800 0.042 0.000 2.491 262 G HA2 -0.299 3.675 3.960 0.024 0.000 0.218 262 G HA3 -0.299 3.675 3.960 0.024 0.000 0.218 262 G C 1.678 176.631 174.900 0.088 0.000 1.180 262 G CA 1.133 46.267 45.100 0.056 0.000 0.774 262 G HN 0.472 nan 8.290 nan 0.000 0.562 263 K N -0.257 120.182 120.400 0.067 0.000 2.097 263 K HA 0.108 4.442 4.320 0.024 0.000 0.205 263 K C 2.592 179.295 176.600 0.171 0.000 1.050 263 K CA 0.640 56.984 56.287 0.095 0.000 0.938 263 K CB -0.270 32.253 32.500 0.039 0.000 0.718 263 K HN 0.268 nan 8.250 nan 0.000 0.442 264 L N 1.235 122.520 121.223 0.104 0.000 2.083 264 L HA -0.217 4.137 4.340 0.024 0.000 0.209 264 L C 2.400 179.333 176.870 0.105 0.000 1.083 264 L CA 0.953 55.843 54.840 0.083 0.000 0.752 264 L CB -0.485 41.590 42.059 0.028 0.000 0.899 264 L HN 0.332 nan 8.230 nan 0.000 0.433 265 N N -0.436 118.332 118.700 0.114 0.000 2.188 265 N HA -0.243 4.511 4.740 0.024 0.000 0.184 265 N C 1.804 177.404 175.510 0.149 0.000 1.018 265 N CA 1.326 54.441 53.050 0.108 0.000 0.858 265 N CB -0.094 38.454 38.487 0.102 0.000 0.989 265 N HN 0.402 nan 8.380 nan 0.000 0.426 266 W N 1.726 123.038 121.300 0.020 0.000 2.388 266 W HA 0.051 4.726 4.660 0.026 0.000 0.294 266 W C 2.235 178.777 176.519 0.038 0.000 1.212 266 W CA 1.771 59.129 57.345 0.022 0.000 1.271 266 W CB -0.296 29.168 29.460 0.007 0.000 1.126 266 W HN 0.085 nan 8.180 nan 0.000 0.535 267 A N -0.169 122.787 122.820 0.227 0.000 2.067 267 A HA -0.103 4.231 4.320 0.024 0.000 0.217 267 A C 2.000 179.620 177.584 0.061 0.000 1.156 267 A CA 1.658 53.785 52.037 0.151 0.000 0.683 267 A CB -1.239 17.924 19.000 0.272 0.000 0.808 267 A HN 0.323 nan 8.150 nan 0.000 0.455 268 S N -0.609 115.098 115.700 0.011 0.000 2.474 268 S HA -0.166 4.318 4.470 0.024 0.000 0.235 268 S C 1.747 176.286 174.600 -0.100 0.000 0.997 268 S CA 1.020 59.213 58.200 -0.013 0.000 0.949 268 S CB -0.278 62.917 63.200 -0.009 0.000 0.766 268 S HN 0.548 nan 8.310 nan 0.000 0.517 269 Q N 1.489 121.169 119.800 -0.201 0.000 2.016 269 Q HA 0.088 4.442 4.340 0.024 0.000 0.200 269 Q C 2.341 178.166 176.000 -0.291 0.000 0.978 269 Q CA 1.587 57.214 55.803 -0.292 0.000 0.833 269 Q CB -0.459 28.031 28.738 -0.414 0.000 0.895 269 Q HN 0.677 nan 8.270 nan 0.000 0.427 270 I N -1.358 119.022 120.570 -0.317 0.000 2.429 270 I HA -0.108 4.076 4.170 0.024 0.000 0.247 270 I C 0.307 176.239 176.117 -0.309 0.000 1.099 270 I CA 0.299 61.409 61.300 -0.317 0.000 1.422 270 I CB -0.099 37.634 38.000 -0.445 0.000 1.112 270 I HN -0.024 nan 8.210 nan 0.000 0.430 271 Y N 3.166 123.404 120.300 -0.103 0.000 2.313 271 Y HA 0.300 4.863 4.550 0.022 0.000 0.332 271 Y C -2.158 173.700 175.900 -0.070 0.000 1.071 271 Y CA -2.827 55.238 58.100 -0.059 0.000 1.169 271 Y CB 0.223 38.663 38.460 -0.033 0.000 1.192 271 Y HN -0.062 nan 8.280 nan 0.000 0.487 272 P HA 0.281 nan 4.420 nan 0.000 0.297 272 P C 0.402 177.722 177.300 0.034 0.000 1.319 272 P CA -0.043 63.071 63.100 0.023 0.000 0.810 272 P CB 1.618 33.311 31.700 -0.011 0.000 0.947 273 G N 3.249 112.054 108.800 0.009 0.000 2.184 273 G HA2 -0.162 3.812 3.960 0.024 0.000 0.206 273 G HA3 -0.162 3.812 3.960 0.024 0.000 0.206 273 G C 0.117 175.014 174.900 -0.006 0.000 0.995 273 G CA -0.552 44.547 45.100 -0.001 0.000 0.651 273 G HN 0.441 nan 8.290 nan 0.000 0.511 274 I N 0.761 121.333 120.570 0.004 0.000 2.648 274 I HA 0.427 4.611 4.170 0.024 0.000 0.284 274 I C 0.519 176.628 176.117 -0.013 0.000 1.153 274 I CA 0.509 61.805 61.300 -0.007 0.000 1.426 274 I CB 0.997 39.004 38.000 0.011 0.000 1.381 274 I HN 0.056 nan 8.210 nan 0.000 0.571 275 K N 3.867 124.253 120.400 -0.023 0.000 2.426 275 K HA 0.531 4.865 4.320 0.024 0.000 0.251 275 K C -0.020 176.561 176.600 -0.032 0.000 0.941 275 K CA -0.520 55.751 56.287 -0.025 0.000 0.808 275 K CB 2.566 35.048 32.500 -0.030 0.000 1.265 275 K HN 0.389 nan 8.250 nan 0.000 0.432 276 V N -0.487 119.410 119.914 -0.028 0.000 3.172 276 V HA 0.311 4.445 4.120 0.024 0.000 0.343 276 V C 1.249 177.320 176.094 -0.037 0.000 1.429 276 V CA -0.239 62.039 62.300 -0.036 0.000 1.149 276 V CB 0.450 32.259 31.823 -0.023 0.000 1.106 276 V HN 0.739 nan 8.190 nan 0.000 0.526 277 R N 0.599 121.078 120.500 -0.035 0.000 2.070 277 R HA -0.104 4.250 4.340 0.024 0.000 0.232 277 R C 2.175 178.451 176.300 -0.041 0.000 1.138 277 R CA 2.347 58.428 56.100 -0.033 0.000 0.936 277 R CB -0.090 30.192 30.300 -0.030 0.000 0.839 277 R HN 0.590 nan 8.270 nan 0.000 0.429 278 Q N 0.492 120.263 119.800 -0.049 0.000 2.170 278 Q HA -0.057 4.297 4.340 0.024 0.000 0.203 278 Q C 1.271 177.227 176.000 -0.073 0.000 0.976 278 Q CA 0.830 56.599 55.803 -0.057 0.000 0.858 278 Q CB -0.212 28.490 28.738 -0.060 0.000 0.907 278 Q HN 0.365 nan 8.270 nan 0.000 0.433 282 L N 2.082 123.281 121.223 -0.040 0.000 2.353 282 L HA -0.073 4.282 4.340 0.024 0.000 0.220 282 L C 1.792 178.651 176.870 -0.018 0.000 1.133 282 L CA 1.116 55.935 54.840 -0.036 0.000 0.798 282 L CB -0.339 41.684 42.059 -0.059 0.000 0.922 282 L HN 0.171 nan 8.230 nan 0.000 0.445 283 L N -0.802 120.412 121.223 -0.016 0.000 2.509 283 L HA 0.034 4.389 4.340 0.024 0.000 0.222 283 L C 1.016 177.885 176.870 -0.002 0.000 1.123 283 L CA -0.079 54.759 54.840 -0.005 0.000 0.856 283 L CB -0.235 41.822 42.059 -0.003 0.000 0.985 283 L HN 0.164 nan 8.230 nan 0.000 0.456 284 R N 0.607 121.104 120.500 -0.005 0.000 2.538 284 R HA 0.125 4.479 4.340 0.024 0.000 0.282 284 R C 1.300 177.600 176.300 0.000 0.000 1.009 284 R CA 0.692 56.790 56.100 -0.003 0.000 1.063 284 R CB -0.094 30.203 30.300 -0.006 0.000 0.945 284 R HN 0.271 nan 8.270 nan 0.000 0.414 285 G N 2.046 110.847 108.800 0.002 0.000 2.200 285 G HA2 -0.368 3.606 3.960 0.024 0.000 0.267 285 G HA3 -0.368 3.606 3.960 0.024 0.000 0.267 285 G C 0.381 175.284 174.900 0.006 0.000 0.993 285 G CA 0.872 45.974 45.100 0.003 0.000 0.701 285 G HN 0.811 nan 8.290 nan 0.000 0.524 286 T N -1.468 113.090 114.554 0.007 0.000 2.934 286 T HA 0.400 4.764 4.350 0.024 0.000 0.306 286 T C 1.398 176.104 174.700 0.010 0.000 1.042 286 T CA 0.740 62.846 62.100 0.010 0.000 1.145 286 T CB 1.295 70.171 68.868 0.013 0.000 0.982 286 T HN 0.779 nan 8.240 nan 0.000 0.544 287 K N 1.340 121.746 120.400 0.011 0.000 2.334 287 K HA 0.559 4.894 4.320 0.024 0.000 0.195 287 K C 0.571 177.178 176.600 0.011 0.000 1.045 287 K CA -0.129 56.164 56.287 0.010 0.000 1.004 287 K CB 0.521 33.027 32.500 0.009 0.000 0.837 287 K HN 0.742 nan 8.250 nan 0.000 0.510 288 A N 0.642 123.470 122.820 0.013 0.000 2.610 288 A HA 0.428 4.762 4.320 0.024 0.000 0.291 288 A C 0.151 177.745 177.584 0.017 0.000 1.086 288 A CA -0.838 51.207 52.037 0.013 0.000 0.677 288 A CB 0.655 19.662 19.000 0.012 0.000 1.278 288 A HN 0.089 nan 8.150 nan 0.000 0.414 289 L N 0.238 121.470 121.223 0.016 0.000 2.156 289 L HA -0.062 4.292 4.340 0.024 0.000 0.208 289 L C 2.582 179.465 176.870 0.023 0.000 1.095 289 L CA 2.000 56.852 54.840 0.020 0.000 0.770 289 L CB -0.534 41.534 42.059 0.016 0.000 0.914 289 L HN 0.981 nan 8.230 nan 0.000 0.439 290 T N -3.451 111.114 114.554 0.017 0.000 3.088 290 T HA -0.092 4.273 4.350 0.024 0.000 0.259 290 T C 0.805 175.518 174.700 0.020 0.000 1.122 290 T CA -0.205 61.904 62.100 0.015 0.000 1.095 290 T CB -0.247 68.626 68.868 0.007 0.000 0.930 290 T HN 0.280 nan 8.240 nan 0.000 0.508 291 E N 1.599 121.813 120.200 0.023 0.000 2.529 291 E HA 0.117 4.481 4.350 0.024 0.000 0.259 291 E C -0.821 175.803 176.600 0.040 0.000 0.966 291 E CA -0.301 56.114 56.400 0.026 0.000 0.937 291 E CB 0.507 30.222 29.700 0.024 0.000 0.923 291 E HN 0.147 nan 8.360 nan 0.000 0.468 292 V N 6.705 126.643 119.914 0.040 0.000 2.461 292 V HA 0.146 4.280 4.120 0.024 0.000 0.275 292 V C 0.245 176.378 176.094 0.065 0.000 1.047 292 V CA -0.367 61.968 62.300 0.060 0.000 0.955 292 V CB 0.861 32.712 31.823 0.046 0.000 0.988 292 V HN 0.551 nan 8.190 nan 0.000 0.471 293 I N 7.641 128.266 120.570 0.091 0.000 2.362 293 I HA 0.418 4.603 4.170 0.024 0.000 0.289 293 I C -2.150 174.016 176.117 0.082 0.000 0.994 293 I CA -2.554 58.787 61.300 0.068 0.000 1.158 293 I CB 1.908 39.938 38.000 0.049 0.000 1.315 293 I HN 0.433 nan 8.210 nan 0.000 0.451 294 P HA 0.279 nan 4.420 nan 0.000 0.280 294 P C -0.683 176.624 177.300 0.012 0.000 1.244 294 P CA -0.412 62.721 63.100 0.055 0.000 0.784 294 P CB 1.148 32.871 31.700 0.038 0.000 0.913 295 L N 3.076 124.297 121.223 -0.003 0.000 2.367 295 L HA 0.191 4.545 4.340 0.024 0.000 0.275 295 L C 1.709 178.551 176.870 -0.048 0.000 1.129 295 L CA -0.375 54.419 54.840 -0.076 0.000 0.839 295 L CB 0.324 42.289 42.059 -0.156 0.000 1.133 295 L HN 0.474 nan 8.230 nan 0.000 0.453 296 T N -1.559 112.960 114.554 -0.057 0.000 2.667 296 T HA 0.005 4.369 4.350 0.024 0.000 0.305 296 T C 0.942 175.617 174.700 -0.042 0.000 1.022 296 T CA -0.363 61.713 62.100 -0.040 0.000 0.995 296 T CB 1.250 70.094 68.868 -0.041 0.000 1.026 296 T HN 0.742 nan 8.240 nan 0.000 0.527 297 E N 0.112 120.294 120.200 -0.031 0.000 2.046 297 E HA -0.146 4.218 4.350 0.024 0.000 0.190 297 E C 1.987 178.564 176.600 -0.037 0.000 0.982 297 E CA 0.986 57.370 56.400 -0.028 0.000 0.800 297 E CB -0.110 29.579 29.700 -0.019 0.000 0.756 297 E HN 0.750 nan 8.360 nan 0.000 0.449 298 E N 0.587 120.764 120.200 -0.038 0.000 2.118 298 E HA -0.187 4.177 4.350 0.024 0.000 0.195 298 E C 1.807 178.372 176.600 -0.059 0.000 0.992 298 E CA 1.324 57.699 56.400 -0.042 0.000 0.804 298 E CB -0.315 29.362 29.700 -0.038 0.000 0.741 298 E HN 0.387 nan 8.360 nan 0.000 0.458 299 A N 0.628 123.404 122.820 -0.073 0.000 1.933 299 A HA -0.210 4.125 4.320 0.024 0.000 0.218 299 A C 2.127 179.636 177.584 -0.125 0.000 1.175 299 A CA 1.683 53.655 52.037 -0.108 0.000 0.628 299 A CB -0.395 18.528 19.000 -0.129 0.000 0.814 299 A HN 0.157 nan 8.150 nan 0.000 0.444 300 E N -0.580 119.563 120.200 -0.096 0.000 2.106 300 E HA -0.109 4.255 4.350 0.024 0.000 0.192 300 E C 1.776 178.339 176.600 -0.062 0.000 0.984 300 E CA 0.822 57.174 56.400 -0.080 0.000 0.806 300 E CB -0.281 29.393 29.700 -0.042 0.000 0.750 300 E HN 0.412 nan 8.360 nan 0.000 0.458 301 L N 1.008 122.199 121.223 -0.053 0.000 2.027 301 L HA -0.108 4.246 4.340 0.024 0.000 0.206 301 L C 2.175 179.014 176.870 -0.050 0.000 1.074 301 L CA 2.044 56.858 54.840 -0.042 0.000 0.745 301 L CB -0.683 41.354 42.059 -0.036 0.000 0.898 301 L HN 0.219 nan 8.230 nan 0.000 0.433 302 E N -0.701 119.461 120.200 -0.062 0.000 2.005 302 E HA -0.302 4.062 4.350 0.024 0.000 0.198 302 E C 2.212 178.767 176.600 -0.075 0.000 1.010 302 E CA 1.835 58.195 56.400 -0.067 0.000 0.825 302 E CB -0.432 29.222 29.700 -0.077 0.000 0.769 302 E HN 0.351 nan 8.360 nan 0.000 0.456 303 L N 0.909 122.069 121.223 -0.104 0.000 2.089 303 L HA -0.235 4.119 4.340 0.024 0.000 0.213 303 L C 2.136 178.965 176.870 -0.067 0.000 1.079 303 L CA 2.364 57.136 54.840 -0.113 0.000 0.758 303 L CB -0.779 41.172 42.059 -0.180 0.000 0.891 303 L HN 0.277 nan 8.230 nan 0.000 0.433 304 A N -0.941 121.847 122.820 -0.054 0.000 1.841 304 A HA -0.256 4.078 4.320 0.024 0.000 0.214 304 A C 2.333 179.896 177.584 -0.035 0.000 1.195 304 A CA 1.672 53.690 52.037 -0.032 0.000 0.611 304 A CB -0.834 18.151 19.000 -0.026 0.000 0.835 304 A HN 0.562 nan 8.150 nan 0.000 0.443 305 E N -0.295 119.882 120.200 -0.039 0.000 2.153 305 E HA -0.208 4.156 4.350 0.024 0.000 0.194 305 E C 1.694 178.265 176.600 -0.048 0.000 0.988 305 E CA 1.081 57.459 56.400 -0.038 0.000 0.811 305 E CB -0.094 29.585 29.700 -0.035 0.000 0.746 305 E HN 0.540 nan 8.360 nan 0.000 0.466 306 N N 0.635 119.300 118.700 -0.057 0.000 2.120 306 N HA -0.146 4.608 4.740 0.024 0.000 0.188 306 N C 1.685 177.139 175.510 -0.093 0.000 1.024 306 N CA 0.971 53.977 53.050 -0.074 0.000 0.852 306 N CB -0.239 38.206 38.487 -0.071 0.000 1.003 306 N HN 0.172 nan 8.380 nan 0.000 0.424 307 R N 0.907 121.367 120.500 -0.067 0.000 2.103 307 R HA -0.076 4.278 4.340 0.024 0.000 0.242 307 R C 1.771 178.029 176.300 -0.071 0.000 1.142 307 R CA 0.999 57.062 56.100 -0.061 0.000 0.960 307 R CB -0.070 30.214 30.300 -0.027 0.000 0.858 307 R HN 0.292 nan 8.270 nan 0.000 0.439 308 E N 0.579 120.745 120.200 -0.056 0.000 2.106 308 E HA -0.141 4.223 4.350 0.024 0.000 0.192 308 E C 2.076 178.640 176.600 -0.059 0.000 0.984 308 E CA 0.955 57.328 56.400 -0.045 0.000 0.806 308 E CB -0.075 29.607 29.700 -0.030 0.000 0.750 308 E HN 0.422 nan 8.360 nan 0.000 0.458 309 I N 0.883 121.400 120.570 -0.087 0.000 2.315 309 I HA -0.221 3.964 4.170 0.024 0.000 0.248 309 I C 2.283 178.238 176.117 -0.270 0.000 1.117 309 I CA 0.784 62.021 61.300 -0.105 0.000 1.404 309 I CB -0.185 37.759 38.000 -0.093 0.000 1.071 309 I HN 0.051 nan 8.210 nan 0.000 0.419 310 L N 0.446 121.431 121.223 -0.396 0.000 2.465 310 L HA -0.121 4.234 4.340 0.024 0.000 0.224 310 L C 1.706 178.432 176.870 -0.241 0.000 1.145 310 L CA 0.919 55.381 54.840 -0.629 0.000 0.834 310 L CB -0.440 41.371 42.059 -0.412 0.000 0.944 310 L HN 0.198 nan 8.230 nan 0.000 0.451 311 K N 0.414 120.753 120.400 -0.102 0.000 2.476 311 K HA 0.079 4.413 4.320 0.024 0.000 0.196 311 K C -0.096 176.536 176.600 0.052 0.000 1.025 311 K CA 0.054 56.336 56.287 -0.008 0.000 1.138 311 K CB 0.152 32.644 32.500 -0.012 0.000 0.860 311 K HN 0.379 nan 8.250 nan 0.000 0.515 312 E N 1.884 122.155 120.200 0.118 0.000 2.231 312 E HA 0.116 4.480 4.350 0.024 0.000 0.277 312 E C -2.318 174.432 176.600 0.249 0.000 0.999 312 E CA -2.204 54.306 56.400 0.183 0.000 0.827 312 E CB 0.902 30.738 29.700 0.228 0.000 1.101 312 E HN -0.052 nan 8.360 nan 0.000 0.393 313 P HA 0.072 nan 4.420 nan 0.000 0.238 313 P C -0.666 176.716 177.300 0.137 0.000 1.794 313 P CA -0.095 63.073 63.100 0.113 0.000 1.088 313 P CB 0.015 31.727 31.700 0.020 0.000 1.923 314 V N 5.984 125.973 119.914 0.125 0.000 2.408 314 V HA 0.163 4.298 4.120 0.024 0.000 0.267 314 V C 0.833 177.007 176.094 0.133 0.000 1.047 314 V CA -0.010 62.305 62.300 0.025 0.000 0.937 314 V CB -0.231 31.376 31.823 -0.360 0.000 0.999 314 V HN 0.619 nan 8.190 nan 0.000 0.472 315 H N 3.329 122.306 119.070 -0.155 0.000 2.894 315 H HA 0.878 5.448 4.556 0.024 0.000 0.368 315 H C -0.202 174.566 175.328 -0.933 0.000 1.181 315 H CA -0.720 55.080 56.048 -0.413 0.000 1.146 315 H CB 2.245 31.828 29.762 -0.299 0.000 1.839 315 H HN 0.602 nan 8.280 nan 0.000 0.557 316 G N -0.260 107.220 108.800 -2.201 0.000 3.105 316 G HA2 0.601 4.576 3.960 0.024 0.000 0.277 316 G HA3 0.601 4.576 3.960 0.024 0.000 0.277 316 G C -0.583 173.417 174.900 -1.500 0.000 1.375 316 G CA -0.272 43.622 45.100 -2.010 0.000 0.962 316 G HN 0.841 nan 8.290 nan 0.000 0.541 317 V N -3.235 116.191 119.914 -0.814 0.000 3.164 317 V HA 0.802 4.936 4.120 0.024 0.000 0.313 317 V C -0.908 175.050 176.094 -0.226 0.000 1.188 317 V CA -1.403 60.586 62.300 -0.518 0.000 1.058 317 V CB 1.212 32.911 31.823 -0.207 0.000 1.110 317 V HN 0.613 nan 8.190 nan 0.000 0.453 318 Y N -0.464 119.939 120.300 0.171 0.000 2.408 318 Y HA 0.485 5.049 4.550 0.025 0.000 0.324 318 Y C 0.094 176.190 175.900 0.326 0.000 1.302 318 Y CA -1.092 57.176 58.100 0.281 0.000 1.384 318 Y CB 0.632 39.218 38.460 0.209 0.000 1.367 318 Y HN 0.738 nan 8.280 nan 0.000 0.525 319 Y N 1.450 121.997 120.300 0.413 0.000 2.377 319 Y HA 0.115 4.679 4.550 0.023 0.000 0.330 319 Y C -0.280 175.728 175.900 0.179 0.000 1.108 319 Y CA -0.449 57.830 58.100 0.299 0.000 1.308 319 Y CB 0.517 39.212 38.460 0.391 0.000 1.216 319 Y HN 0.542 nan 8.280 nan 0.000 0.518 320 D N 9.120 129.364 120.400 -0.260 0.000 2.462 320 D HA 0.215 4.869 4.640 0.024 0.000 0.249 320 D C -1.902 173.930 176.300 -0.779 0.000 1.117 320 D CA -2.622 51.150 54.000 -0.380 0.000 0.900 320 D CB 1.247 41.967 40.800 -0.133 0.000 1.039 320 D HN 0.333 nan 8.370 nan 0.000 0.516 321 P HA -0.125 nan 4.420 nan 0.000 0.234 321 P C 0.614 177.748 177.300 -0.276 0.000 1.162 321 P CA 0.654 63.312 63.100 -0.736 0.000 0.759 321 P CB 0.142 31.606 31.700 -0.392 0.000 0.813 322 S N -2.836 112.730 115.700 -0.224 0.000 2.539 322 S HA 0.212 4.696 4.470 0.024 0.000 0.221 322 S C 0.726 175.274 174.600 -0.086 0.000 0.987 322 S CA -0.368 57.764 58.200 -0.114 0.000 0.929 322 S CB 0.010 63.157 63.200 -0.089 0.000 0.832 322 S HN 0.088 nan 8.310 nan 0.000 0.492 323 K N 1.290 121.630 120.400 -0.100 0.000 2.238 323 K HA 0.409 4.743 4.320 0.024 0.000 0.239 323 K C -0.910 175.658 176.600 -0.053 0.000 0.987 323 K CA -0.942 55.306 56.287 -0.064 0.000 0.857 323 K CB 0.641 33.108 32.500 -0.055 0.000 1.154 323 K HN 0.040 nan 8.250 nan 0.000 0.439 324 D N 0.988 121.354 120.400 -0.057 0.000 2.364 324 D HA -0.002 4.653 4.640 0.024 0.000 0.236 324 D C -0.703 175.518 176.300 -0.133 0.000 1.221 324 D CA 0.321 54.271 54.000 -0.084 0.000 0.891 324 D CB 0.606 41.353 40.800 -0.089 0.000 1.190 324 D HN 0.044 nan 8.370 nan 0.000 0.449 325 L N 2.608 123.706 121.223 -0.209 0.000 2.345 325 L HA 0.403 4.757 4.340 0.024 0.000 0.274 325 L C -0.982 175.618 176.870 -0.449 0.000 0.999 325 L CA -0.316 54.304 54.840 -0.365 0.000 0.849 325 L CB 0.813 42.630 42.059 -0.404 0.000 1.220 325 L HN 0.217 nan 8.230 nan 0.000 0.422 326 I N 4.049 124.268 120.570 -0.584 0.000 2.493 326 I HA 0.803 4.987 4.170 0.024 0.000 0.298 326 I C -0.085 175.521 176.117 -0.852 0.000 0.998 326 I CA -0.443 60.438 61.300 -0.698 0.000 1.137 326 I CB 2.053 39.603 38.000 -0.749 0.000 1.310 326 I HN 0.695 nan 8.210 nan 0.000 0.445 327 A N 4.978 127.381 122.820 -0.694 0.000 2.357 327 A HA 0.612 4.946 4.320 0.024 0.000 0.295 327 A C -0.833 176.600 177.584 -0.252 0.000 1.121 327 A CA -0.491 51.222 52.037 -0.540 0.000 0.742 327 A CB 1.102 19.633 19.000 -0.783 0.000 1.181 327 A HN 0.729 nan 8.150 nan 0.000 0.454 328 E N 2.497 122.683 120.200 -0.024 0.000 2.207 328 E HA 0.736 5.100 4.350 0.024 0.000 0.270 328 E C -1.254 175.459 176.600 0.189 0.000 0.927 328 E CA -0.536 55.939 56.400 0.124 0.000 0.799 328 E CB 1.269 31.091 29.700 0.203 0.000 1.172 328 E HN 0.640 nan 8.360 nan 0.000 0.404 329 I N 2.296 122.984 120.570 0.196 0.000 2.785 329 I HA 0.320 4.504 4.170 0.024 0.000 0.302 329 I C -0.814 175.442 176.117 0.231 0.000 1.069 329 I CA -0.903 60.539 61.300 0.237 0.000 1.045 329 I CB 2.134 40.261 38.000 0.212 0.000 1.236 329 I HN 0.456 nan 8.210 nan 0.000 0.429 330 Q N 3.200 123.157 119.800 0.263 0.000 2.451 330 Q HA 0.446 4.800 4.340 0.024 0.000 0.281 330 Q C -0.966 175.153 176.000 0.197 0.000 1.099 330 Q CA -0.921 54.995 55.803 0.188 0.000 0.806 330 Q CB 2.448 31.241 28.738 0.093 0.000 1.419 330 Q HN 0.283 nan 8.270 nan 0.000 0.427 331 K N 1.968 122.367 120.400 -0.002 0.000 2.299 331 K HA 0.136 4.470 4.320 0.024 0.000 0.268 331 K C 0.141 176.587 176.600 -0.257 0.000 1.075 331 K CA 0.016 56.066 56.287 -0.395 0.000 0.936 331 K CB 0.796 32.976 32.500 -0.533 0.000 1.228 331 K HN 0.777 nan 8.250 nan 0.000 0.454 332 Q N 2.292 121.953 119.800 -0.230 0.000 2.016 332 Q HA -0.056 4.298 4.340 0.024 0.000 0.200 332 Q C 0.416 176.321 176.000 -0.157 0.000 0.978 332 Q CA 1.525 57.244 55.803 -0.140 0.000 0.833 332 Q CB 0.193 28.872 28.738 -0.098 0.000 0.895 332 Q HN 0.792 nan 8.270 nan 0.000 0.427 333 G N -0.610 108.055 108.800 -0.225 0.000 2.749 333 G HA2 0.194 4.168 3.960 0.024 0.000 0.300 333 G HA3 0.194 4.168 3.960 0.024 0.000 0.300 333 G C -1.813 172.937 174.900 -0.249 0.000 1.352 333 G CA -0.754 44.239 45.100 -0.178 0.000 0.789 333 G HN 0.241 nan 8.290 nan 0.000 0.509 334 Q N -0.194 119.505 119.800 -0.169 0.000 2.274 334 Q HA 0.392 4.747 4.340 0.024 0.000 0.280 334 Q C 1.357 177.266 176.000 -0.152 0.000 1.047 334 Q CA 1.374 57.078 55.803 -0.165 0.000 0.907 334 Q CB 0.225 28.888 28.738 -0.124 0.000 1.171 334 Q HN 1.792 nan 8.270 nan 0.000 0.381 335 G N 3.225 111.930 108.800 -0.159 0.000 2.245 335 G HA2 -0.323 3.651 3.960 0.024 0.000 0.264 335 G HA3 -0.323 3.651 3.960 0.024 0.000 0.264 335 G C -0.051 174.821 174.900 -0.047 0.000 0.985 335 G CA 0.468 45.560 45.100 -0.014 0.000 0.625 335 G HN 0.620 nan 8.290 nan 0.000 0.536 336 Q N -0.846 118.795 119.800 -0.265 0.000 2.271 336 Q HA 0.594 4.948 4.340 0.024 0.000 0.258 336 Q C -0.986 174.781 176.000 -0.388 0.000 0.936 336 Q CA -0.673 55.035 55.803 -0.159 0.000 0.909 336 Q CB 1.056 29.730 28.738 -0.105 0.000 1.253 336 Q HN 0.405 nan 8.270 nan 0.000 0.440 337 W N 0.919 122.276 121.300 0.095 0.000 2.915 337 W HA 0.451 5.127 4.660 0.027 0.000 0.337 337 W C -0.408 176.147 176.519 0.061 0.000 1.102 337 W CA -0.628 56.778 57.345 0.101 0.000 1.224 337 W CB 1.854 31.416 29.460 0.171 0.000 1.416 337 W HN 0.481 nan 8.180 nan 0.000 0.503 338 T N -0.257 114.453 114.554 0.260 0.000 2.908 338 T HA 0.839 5.203 4.350 0.024 0.000 0.290 338 T C -1.208 173.589 174.700 0.162 0.000 1.034 338 T CA -0.703 61.443 62.100 0.076 0.000 1.010 338 T CB 1.949 70.813 68.868 -0.007 0.000 1.068 338 T HN 0.537 nan 8.240 nan 0.000 0.481 339 Y N -0.705 119.590 120.300 -0.007 0.000 2.609 339 Y HA 0.726 5.289 4.550 0.021 0.000 0.336 339 Y C -1.568 174.333 175.900 0.002 0.000 1.129 339 Y CA -1.306 56.802 58.100 0.012 0.000 1.040 339 Y CB 1.554 40.015 38.460 0.002 0.000 1.310 339 Y HN 0.852 nan 8.280 nan 0.000 0.460 340 Q N 2.976 122.914 119.800 0.230 0.000 2.309 340 Q HA 0.581 4.935 4.340 0.024 0.000 0.273 340 Q C -1.845 174.275 176.000 0.199 0.000 1.040 340 Q CA -0.752 55.159 55.803 0.181 0.000 0.834 340 Q CB 2.976 31.804 28.738 0.151 0.000 1.345 340 Q HN 0.923 nan 8.270 nan 0.000 0.414 341 I N 3.585 124.241 120.570 0.144 0.000 2.382 341 I HA 0.501 4.685 4.170 0.024 0.000 0.286 341 I C -0.976 175.091 176.117 -0.083 0.000 1.002 341 I CA -0.968 60.262 61.300 -0.117 0.000 1.135 341 I CB 0.778 38.704 38.000 -0.124 0.000 1.288 341 I HN 0.670 nan 8.210 nan 0.000 0.448 342 Y N 3.329 123.549 120.300 -0.132 0.000 2.669 342 Y HA 0.559 5.122 4.550 0.022 0.000 0.335 342 Y C 0.027 175.844 175.900 -0.138 0.000 1.116 342 Y CA -0.948 57.090 58.100 -0.103 0.000 1.081 342 Y CB 1.053 39.484 38.460 -0.048 0.000 1.297 342 Y HN 0.426 nan 8.280 nan 0.000 0.484 343 Q N 0.045 119.930 119.800 0.142 0.000 2.548 343 Q HA 0.253 4.607 4.340 0.024 0.000 0.230 343 Q C -0.738 175.361 176.000 0.164 0.000 0.899 343 Q CA 0.192 56.028 55.803 0.054 0.000 0.936 343 Q CB 1.003 29.750 28.738 0.015 0.000 1.114 343 Q HN 0.754 nan 8.270 nan 0.000 0.606 344 E N 1.841 122.125 120.200 0.140 0.000 2.191 344 E HA 0.311 4.675 4.350 0.024 0.000 0.274 344 E C -2.610 173.949 176.600 -0.068 0.000 0.948 344 E CA -2.368 54.045 56.400 0.023 0.000 0.802 344 E CB 1.338 31.015 29.700 -0.038 0.000 1.137 344 E HN -0.093 nan 8.360 nan 0.000 0.397 345 P HA -0.105 nan 4.420 nan 0.000 0.262 345 P C -0.349 176.684 177.300 -0.445 0.000 1.182 345 P CA 0.936 63.674 63.100 -0.603 0.000 0.761 345 P CB -0.004 31.251 31.700 -0.742 0.000 0.795 346 F N -0.546 119.111 119.950 -0.487 0.000 2.571 346 F HA -0.282 4.258 4.527 0.022 0.000 0.515 346 F C 0.650 176.305 175.800 -0.243 0.000 0.532 346 F CA 0.347 58.165 58.000 -0.304 0.000 1.158 346 F CB -1.079 37.799 39.000 -0.203 0.000 1.848 346 F HN 0.334 nan 8.300 nan 0.000 0.266 347 K N 2.569 122.953 120.400 -0.027 0.000 2.184 347 K HA 0.212 4.546 4.320 0.024 0.000 0.259 347 K C -0.164 176.418 176.600 -0.031 0.000 1.119 347 K CA -0.317 55.924 56.287 -0.077 0.000 0.991 347 K CB 0.229 32.698 32.500 -0.052 0.000 1.522 347 K HN 0.066 nan 8.250 nan 0.000 0.405 348 N N 2.511 121.162 118.700 -0.082 0.000 2.530 348 N HA 0.065 4.819 4.740 0.024 0.000 0.273 348 N C 0.987 176.535 175.510 0.062 0.000 1.173 348 N CA 0.023 53.098 53.050 0.042 0.000 0.967 348 N CB 1.191 39.696 38.487 0.030 0.000 1.109 348 N HN 0.335 nan 8.380 nan 0.000 0.453 349 L N 1.132 122.481 121.223 0.209 0.000 2.168 349 L HA 0.056 4.411 4.340 0.024 0.000 0.203 349 L C 0.879 178.115 176.870 0.609 0.000 1.078 349 L CA 0.915 55.989 54.840 0.390 0.000 0.780 349 L CB -0.024 42.262 42.059 0.377 0.000 0.939 349 L HN 0.613 nan 8.230 nan 0.000 0.451 350 K N -0.790 119.875 120.400 0.441 0.000 2.597 350 K HA 0.441 4.776 4.320 0.024 0.000 0.282 350 K C -1.088 175.634 176.600 0.202 0.000 0.975 350 K CA -0.712 55.802 56.287 0.379 0.000 0.867 350 K CB 1.902 34.524 32.500 0.204 0.000 1.465 350 K HN -0.093 nan 8.250 nan 0.000 0.417 351 T N -1.449 113.135 114.554 0.050 0.000 2.887 351 T HA 0.915 5.279 4.350 0.024 0.000 0.292 351 T C 0.069 174.446 174.700 -0.537 0.000 1.087 351 T CA -0.418 61.554 62.100 -0.213 0.000 1.009 351 T CB 1.842 70.614 68.868 -0.161 0.000 1.203 351 T HN 1.003 nan 8.240 nan 0.000 0.518 352 G N -0.341 107.820 108.800 -1.066 0.000 2.548 352 G HA2 0.633 4.607 3.960 0.024 0.000 0.301 352 G HA3 0.633 4.607 3.960 0.024 0.000 0.301 352 G C -2.086 172.283 174.900 -0.883 0.000 1.349 352 G CA -0.977 43.459 45.100 -1.108 0.000 0.792 352 G HN 0.839 nan 8.290 nan 0.000 0.481 353 K N -0.862 119.193 120.400 -0.575 0.000 2.562 353 K HA 0.558 4.892 4.320 0.024 0.000 0.267 353 K C -2.117 174.371 176.600 -0.186 0.000 0.938 353 K CA -0.793 55.327 56.287 -0.279 0.000 0.840 353 K CB 2.052 34.464 32.500 -0.146 0.000 1.390 353 K HN 0.398 nan 8.250 nan 0.000 0.428 354 Y N 1.389 121.809 120.300 0.199 0.000 2.345 354 Y HA 0.422 4.985 4.550 0.022 0.000 0.331 354 Y C 0.269 176.270 175.900 0.169 0.000 0.959 354 Y CA -0.937 57.283 58.100 0.199 0.000 1.204 354 Y CB 1.668 40.270 38.460 0.238 0.000 1.135 354 Y HN 0.724 nan 8.280 nan 0.000 0.477 355 A N 3.285 126.277 122.820 0.287 0.000 2.587 355 A HA 0.090 4.424 4.320 0.024 0.000 0.233 355 A C 0.648 178.333 177.584 0.168 0.000 1.049 355 A CA -0.398 51.743 52.037 0.174 0.000 0.754 355 A CB -0.037 19.041 19.000 0.131 0.000 0.977 355 A HN 0.787 nan 8.150 nan 0.000 0.509 356 R N 3.048 123.616 120.500 0.112 0.000 2.770 356 R HA 0.035 4.389 4.340 0.024 0.000 0.361 356 R C -0.107 176.245 176.300 0.086 0.000 0.860 356 R CA 0.887 57.041 56.100 0.089 0.000 1.071 356 R CB -0.953 29.369 30.300 0.037 0.000 0.907 356 R HN 0.631 nan 8.270 nan 0.000 0.403 357 M N 5.205 124.871 119.600 0.110 0.000 2.219 357 M HA 0.136 4.630 4.480 0.024 0.000 0.353 357 M C 0.552 176.885 176.300 0.055 0.000 1.304 357 M CA 0.406 55.751 55.300 0.074 0.000 1.115 357 M CB 0.920 33.563 32.600 0.071 0.000 1.664 357 M HN 0.297 nan 8.290 nan 0.000 0.459 358 R N 2.721 123.241 120.500 0.033 0.000 4.017 358 R HA 0.242 4.596 4.340 0.024 0.000 0.272 358 R C 0.155 176.458 176.300 0.004 0.000 1.516 358 R CA -0.256 55.855 56.100 0.019 0.000 1.519 358 R CB -0.301 30.006 30.300 0.012 0.000 1.422 358 R HN 0.851 nan 8.270 nan 0.000 0.719 359 G N -0.079 108.726 108.800 0.008 0.000 2.406 359 G HA2 0.223 4.198 3.960 0.024 0.000 0.251 359 G HA3 0.223 4.198 3.960 0.024 0.000 0.251 359 G C 1.108 175.961 174.900 -0.078 0.000 1.271 359 G CA -0.071 45.012 45.100 -0.028 0.000 0.859 359 G HN 0.406 nan 8.290 nan 0.000 0.540 360 A N 2.228 124.926 122.820 -0.203 0.000 2.148 360 A HA 0.066 4.400 4.320 0.024 0.000 0.222 360 A C 0.930 178.363 177.584 -0.252 0.000 1.161 360 A CA 2.050 53.917 52.037 -0.282 0.000 0.662 360 A CB -0.625 18.114 19.000 -0.435 0.000 0.799 360 A HN 1.543 nan 8.150 nan 0.000 0.466 361 H N -5.158 113.986 119.070 0.122 0.000 3.249 361 H HA 0.551 5.120 4.556 0.023 0.000 0.327 361 H C -0.654 174.779 175.328 0.175 0.000 1.498 361 H CA -0.172 55.967 56.048 0.152 0.000 1.637 361 H CB -0.425 29.437 29.762 0.168 0.000 2.475 361 H HN 0.185 nan 8.280 nan 0.000 0.370 362 T N 1.596 116.325 114.554 0.293 0.000 2.648 362 T HA 0.626 4.990 4.350 0.024 0.000 0.304 362 T C -1.528 173.306 174.700 0.224 0.000 1.312 362 T CA -0.395 61.869 62.100 0.275 0.000 1.023 362 T CB 1.520 70.505 68.868 0.195 0.000 1.612 362 T HN 1.066 nan 8.240 nan 0.000 0.487 363 N N -0.161 118.647 118.700 0.179 0.000 2.416 363 N HA 0.457 5.211 4.740 0.024 0.000 0.276 363 N C -0.106 175.444 175.510 0.067 0.000 1.261 363 N CA -0.689 52.440 53.050 0.131 0.000 0.790 363 N CB 0.981 39.553 38.487 0.142 0.000 1.554 363 N HN 0.345 nan 8.380 nan 0.000 0.481 364 D N 0.054 120.533 120.400 0.132 0.000 2.133 364 D HA -0.127 4.527 4.640 0.024 0.000 0.195 364 D C 1.655 177.971 176.300 0.028 0.000 0.997 364 D CA 1.258 55.383 54.000 0.209 0.000 0.840 364 D CB -0.170 40.822 40.800 0.321 0.000 0.947 364 D HN 0.405 nan 8.370 nan 0.000 0.452 365 V N 0.840 120.578 119.914 -0.293 0.000 2.515 365 V HA -0.172 3.963 4.120 0.024 0.000 0.250 365 V C 2.380 178.011 176.094 -0.772 0.000 1.058 365 V CA 1.148 63.067 62.300 -0.635 0.000 1.064 365 V CB -0.356 30.761 31.823 -1.177 0.000 0.675 365 V HN 0.070 nan 8.190 nan 0.000 0.461 366 K N 0.533 120.525 120.400 -0.681 0.000 1.973 366 K HA -0.136 4.198 4.320 0.024 0.000 0.210 366 K C 2.268 178.708 176.600 -0.267 0.000 1.045 366 K CA 1.572 57.627 56.287 -0.387 0.000 0.937 366 K CB -0.582 31.869 32.500 -0.082 0.000 0.721 366 K HN 0.516 nan 8.250 nan 0.000 0.438 367 Q N 0.543 120.258 119.800 -0.141 0.000 2.173 367 Q HA -0.191 4.163 4.340 0.024 0.000 0.208 367 Q C 2.171 177.826 176.000 -0.576 0.000 0.989 367 Q CA 1.282 57.004 55.803 -0.136 0.000 0.872 367 Q CB -0.166 28.730 28.738 0.264 0.000 0.909 367 Q HN 0.308 nan 8.270 nan 0.000 0.420 368 L N 0.659 121.473 121.223 -0.681 0.000 1.994 368 L HA -0.194 4.160 4.340 0.024 0.000 0.208 368 L C 2.649 179.009 176.870 -0.850 0.000 1.071 368 L CA 2.064 56.234 54.840 -1.117 0.000 0.745 368 L CB -0.750 40.854 42.059 -0.759 0.000 0.892 368 L HN 0.423 nan 8.230 nan 0.000 0.431 369 T N -3.622 110.544 114.554 -0.647 0.000 2.881 369 T HA -0.221 4.144 4.350 0.024 0.000 0.270 369 T C 1.525 175.946 174.700 -0.466 0.000 1.068 369 T CA 1.435 63.192 62.100 -0.570 0.000 1.131 369 T CB -0.377 68.289 68.868 -0.336 0.000 0.871 369 T HN 0.458 nan 8.240 nan 0.000 0.479 370 E N 1.300 121.254 120.200 -0.409 0.000 2.106 370 E HA 0.064 4.428 4.350 0.024 0.000 0.192 370 E C 2.680 179.022 176.600 -0.430 0.000 0.984 370 E CA 0.902 57.098 56.400 -0.339 0.000 0.806 370 E CB -0.331 29.213 29.700 -0.260 0.000 0.750 370 E HN 0.701 nan 8.360 nan 0.000 0.458 371 A N 1.081 123.570 122.820 -0.551 0.000 1.877 371 A HA -0.149 4.185 4.320 0.024 0.000 0.216 371 A C 2.523 179.892 177.584 -0.358 0.000 1.186 371 A CA 1.157 52.918 52.037 -0.459 0.000 0.620 371 A CB -0.818 17.841 19.000 -0.568 0.000 0.822 371 A HN 0.105 nan 8.150 nan 0.000 0.443 372 V N 0.545 120.137 119.914 -0.535 0.000 2.250 372 V HA -0.359 3.775 4.120 0.024 0.000 0.250 372 V C 2.852 178.696 176.094 -0.417 0.000 1.060 372 V CA 2.485 64.381 62.300 -0.672 0.000 1.030 372 V CB -0.799 30.397 31.823 -1.046 0.000 0.643 372 V HN 0.751 nan 8.190 nan 0.000 0.445 373 Q N 0.216 119.793 119.800 -0.371 0.000 2.061 373 Q HA -0.261 4.093 4.340 0.024 0.000 0.204 373 Q C 2.318 178.224 176.000 -0.157 0.000 0.984 373 Q CA 2.051 57.719 55.803 -0.225 0.000 0.846 373 Q CB -0.185 28.438 28.738 -0.192 0.000 0.902 373 Q HN 0.651 nan 8.270 nan 0.000 0.421 374 K N 0.052 120.324 120.400 -0.213 0.000 2.026 374 K HA -0.103 4.231 4.320 0.024 0.000 0.208 374 K C 2.333 178.907 176.600 -0.044 0.000 1.048 374 K CA 1.425 57.609 56.287 -0.171 0.000 0.929 374 K CB -0.201 32.042 32.500 -0.429 0.000 0.713 374 K HN 0.273 nan 8.250 nan 0.000 0.439 375 I N 1.029 121.573 120.570 -0.042 0.000 2.226 375 I HA -0.277 3.907 4.170 0.024 0.000 0.245 375 I C 2.244 178.373 176.117 0.019 0.000 1.100 375 I CA 1.325 62.572 61.300 -0.088 0.000 1.374 375 I CB -0.558 37.360 38.000 -0.136 0.000 1.057 375 I HN 0.196 nan 8.210 nan 0.000 0.413 376 T N 0.108 114.709 114.554 0.079 0.000 2.684 376 T HA -0.174 4.190 4.350 0.024 0.000 0.267 376 T C 1.890 176.621 174.700 0.051 0.000 1.036 376 T CA 2.120 64.279 62.100 0.099 0.000 1.148 376 T CB -0.391 68.518 68.868 0.069 0.000 0.863 376 T HN 0.395 nan 8.240 nan 0.000 0.436 377 T N 1.510 116.074 114.554 0.016 0.000 2.708 377 T HA -0.091 4.273 4.350 0.024 0.000 0.266 377 T C 1.893 176.598 174.700 0.007 0.000 1.037 377 T CA 1.257 63.363 62.100 0.010 0.000 1.146 377 T CB -0.266 68.597 68.868 -0.009 0.000 0.865 377 T HN 0.504 nan 8.240 nan 0.000 0.435 378 E N 0.759 120.961 120.200 0.003 0.000 2.085 378 E HA -0.148 4.216 4.350 0.024 0.000 0.194 378 E C 2.320 178.897 176.600 -0.039 0.000 0.994 378 E CA 1.288 57.676 56.400 -0.021 0.000 0.801 378 E CB -0.029 29.669 29.700 -0.002 0.000 0.743 378 E HN 0.374 nan 8.360 nan 0.000 0.453 379 S N 0.449 116.194 115.700 0.074 0.000 2.355 379 S HA -0.112 4.372 4.470 0.024 0.000 0.222 379 S C 1.956 176.648 174.600 0.154 0.000 1.031 379 S CA 0.986 59.341 58.200 0.258 0.000 0.993 379 S CB -0.197 63.147 63.200 0.241 0.000 0.859 379 S HN 0.292 nan 8.310 nan 0.000 0.453 380 I N 1.310 121.928 120.570 0.081 0.000 2.454 380 I HA -0.138 4.046 4.170 0.024 0.000 0.254 380 I C 2.008 178.131 176.117 0.010 0.000 1.156 380 I CA 0.734 62.069 61.300 0.058 0.000 1.433 380 I CB -0.375 37.656 38.000 0.051 0.000 1.082 380 I HN 0.154 nan 8.210 nan 0.000 0.432 381 V N 0.876 120.769 119.914 -0.036 0.000 2.302 381 V HA -0.198 3.936 4.120 0.024 0.000 0.243 381 V C 2.203 178.193 176.094 -0.174 0.000 1.036 381 V CA 1.669 63.922 62.300 -0.078 0.000 1.020 381 V CB -0.239 31.536 31.823 -0.079 0.000 0.657 381 V HN 0.295 nan 8.190 nan 0.000 0.453 382 I N -1.523 118.837 120.570 -0.350 0.000 2.333 382 I HA -0.153 4.031 4.170 0.024 0.000 0.246 382 I C 2.061 177.730 176.117 -0.747 0.000 1.106 382 I CA 1.507 62.384 61.300 -0.705 0.000 1.411 382 I CB -0.202 36.981 38.000 -1.362 0.000 1.082 382 I HN 0.403 nan 8.210 nan 0.000 0.420 383 W N 0.218 121.404 121.300 -0.190 0.000 2.998 383 W HA 0.357 5.031 4.660 0.024 0.000 0.336 383 W C 1.483 177.935 176.519 -0.111 0.000 1.112 383 W CA 0.600 57.782 57.345 -0.272 0.000 1.682 383 W CB -0.122 29.039 29.460 -0.498 0.000 1.065 383 W HN 0.317 nan 8.180 nan 0.000 0.570 384 G N 2.022 110.887 108.800 0.107 0.000 2.155 384 G HA2 -0.311 3.664 3.960 0.024 0.000 0.257 384 G HA3 -0.311 3.664 3.960 0.024 0.000 0.257 384 G C 0.182 175.150 174.900 0.112 0.000 0.983 384 G CA 0.768 45.926 45.100 0.097 0.000 0.676 384 G HN 0.273 nan 8.290 nan 0.000 0.528 385 K N -1.142 119.336 120.400 0.130 0.000 2.495 385 K HA 0.689 5.023 4.320 0.024 0.000 0.268 385 K C -0.839 175.801 176.600 0.068 0.000 1.008 385 K CA -0.374 55.967 56.287 0.090 0.000 0.882 385 K CB 2.005 34.550 32.500 0.075 0.000 1.443 385 K HN 0.181 nan 8.250 nan 0.000 0.447 386 T N 1.453 116.025 114.554 0.029 0.000 2.812 386 T HA 0.484 4.848 4.350 0.024 0.000 0.282 386 T C -2.617 172.024 174.700 -0.099 0.000 0.990 386 T CA -2.004 60.098 62.100 0.004 0.000 0.960 386 T CB 1.053 69.963 68.868 0.069 0.000 0.948 386 T HN 0.162 nan 8.240 nan 0.000 0.438 387 P HA 0.322 nan 4.420 nan 0.000 0.271 387 P C -0.907 176.129 177.300 -0.440 0.000 1.233 387 P CA -0.521 62.297 63.100 -0.469 0.000 0.789 387 P CB 0.378 31.617 31.700 -0.767 0.000 0.951 388 K N 0.990 121.154 120.400 -0.393 0.000 2.258 388 K HA 0.407 4.741 4.320 0.024 0.000 0.284 388 K C -0.627 175.780 176.600 -0.322 0.000 1.051 388 K CA 0.087 56.243 56.287 -0.218 0.000 0.923 388 K CB -0.171 32.236 32.500 -0.155 0.000 1.046 388 K HN 0.264 nan 8.250 nan 0.000 0.474 389 F N 1.846 121.758 119.950 -0.064 0.000 2.399 389 F HA 0.357 4.896 4.527 0.021 0.000 0.334 389 F C 0.595 176.424 175.800 0.048 0.000 1.097 389 F CA -0.405 57.564 58.000 -0.051 0.000 1.076 389 F CB 1.339 40.276 39.000 -0.106 0.000 1.162 389 F HN 0.124 nan 8.300 nan 0.000 0.495 390 K N 5.081 125.605 120.400 0.208 0.000 2.521 390 K HA 0.505 4.839 4.320 0.024 0.000 0.248 390 K C -1.312 175.413 176.600 0.208 0.000 0.978 390 K CA -0.339 56.061 56.287 0.189 0.000 0.947 390 K CB 1.239 33.802 32.500 0.105 0.000 1.165 390 K HN 0.490 nan 8.250 nan 0.000 0.445 391 L N 4.091 125.475 121.223 0.269 0.000 2.334 391 L HA 0.456 4.810 4.340 0.024 0.000 0.276 391 L C -1.877 175.156 176.870 0.271 0.000 1.014 391 L CA -2.214 52.716 54.840 0.151 0.000 0.815 391 L CB 1.732 43.689 42.059 -0.170 0.000 1.268 391 L HN 0.372 nan 8.230 nan 0.000 0.428 392 P HA 0.169 nan 4.420 nan 0.000 0.220 392 P C -0.558 176.969 177.300 0.377 0.000 1.778 392 P CA 0.445 63.727 63.100 0.304 0.000 0.912 392 P CB 0.208 32.031 31.700 0.205 0.000 1.861 393 I N -0.620 120.220 120.570 0.451 0.000 2.692 393 I HA 0.242 4.426 4.170 0.024 0.000 0.293 393 I C -0.750 175.436 176.117 0.115 0.000 1.200 393 I CA -1.024 60.388 61.300 0.188 0.000 1.036 393 I CB 2.817 40.804 38.000 -0.022 0.000 1.258 393 I HN -0.155 nan 8.210 nan 0.000 0.421 394 Q N 5.915 125.557 119.800 -0.264 0.000 2.352 394 Q HA 0.192 4.546 4.340 0.024 0.000 0.260 394 Q C 0.594 176.677 176.000 0.138 0.000 0.976 394 Q CA -0.541 54.991 55.803 -0.451 0.000 0.881 394 Q CB 1.253 29.698 28.738 -0.489 0.000 1.235 394 Q HN 0.486 nan 8.270 nan 0.000 0.419 395 K N 2.222 122.724 120.400 0.171 0.000 2.160 395 K HA -0.248 4.086 4.320 0.024 0.000 0.206 395 K C 1.652 178.452 176.600 0.333 0.000 1.047 395 K CA 2.045 58.536 56.287 0.340 0.000 0.930 395 K CB 0.033 32.549 32.500 0.027 0.000 0.720 395 K HN 0.742 nan 8.250 nan 0.000 0.450 396 E N -0.131 120.157 120.200 0.147 0.000 2.107 396 E HA -0.093 4.271 4.350 0.024 0.000 0.191 396 E C 1.629 178.308 176.600 0.132 0.000 0.982 396 E CA 1.395 57.859 56.400 0.105 0.000 0.809 396 E CB -0.465 29.252 29.700 0.028 0.000 0.756 396 E HN 0.023 nan 8.360 nan 0.000 0.459 397 T N 0.566 115.207 114.554 0.144 0.000 2.821 397 T HA -0.173 4.191 4.350 0.024 0.000 0.267 397 T C 1.193 176.066 174.700 0.289 0.000 1.046 397 T CA 1.183 63.370 62.100 0.145 0.000 1.139 397 T CB -0.481 68.434 68.868 0.078 0.000 0.871 397 T HN 0.438 nan 8.240 nan 0.000 0.454 398 W N 1.970 123.398 121.300 0.215 0.000 2.379 398 W HA -0.154 4.519 4.660 0.021 0.000 0.307 398 W C 2.158 178.981 176.519 0.507 0.000 1.200 398 W CA 1.339 58.887 57.345 0.338 0.000 1.297 398 W CB -0.102 29.626 29.460 0.448 0.000 1.140 398 W HN 0.228 nan 8.180 nan 0.000 0.507 399 E N 0.231 120.592 120.200 0.269 0.000 2.085 399 E HA -0.202 4.162 4.350 0.024 0.000 0.194 399 E C 2.117 178.575 176.600 -0.236 0.000 0.994 399 E CA 2.813 59.186 56.400 -0.044 0.000 0.801 399 E CB -0.596 29.126 29.700 0.036 0.000 0.743 399 E HN 0.036 nan 8.360 nan 0.000 0.453 400 T N -0.625 113.893 114.554 -0.060 0.000 2.777 400 T HA -0.133 4.231 4.350 0.024 0.000 0.266 400 T C 1.183 175.854 174.700 -0.049 0.000 1.040 400 T CA 1.282 63.342 62.100 -0.065 0.000 1.141 400 T CB -0.446 68.430 68.868 0.013 0.000 0.868 400 T HN 0.411 nan 8.240 nan 0.000 0.444 401 W N 0.740 121.945 121.300 -0.159 0.000 2.418 401 W HA -0.026 4.651 4.660 0.029 0.000 0.319 401 W C 2.176 178.581 176.519 -0.189 0.000 1.183 401 W CA 0.957 58.217 57.345 -0.142 0.000 1.327 401 W CB -0.719 28.680 29.460 -0.102 0.000 1.163 401 W HN 0.370 nan 8.180 nan 0.000 0.479 402 W N 2.284 123.367 121.300 -0.362 0.000 2.317 402 W HA -0.291 4.382 4.660 0.021 0.000 0.318 402 W C 2.364 178.599 176.519 -0.473 0.000 1.227 402 W CA 3.772 60.717 57.345 -0.668 0.000 1.269 402 W CB -1.367 27.383 29.460 -1.183 0.000 1.155 402 W HN 0.021 nan 8.180 nan 0.000 0.484 403 T N -1.588 112.302 114.554 -1.107 0.000 2.897 403 T HA -0.186 4.178 4.350 0.024 0.000 0.271 403 T C 1.078 175.498 174.700 -0.467 0.000 1.084 403 T CA 1.713 63.235 62.100 -0.963 0.000 1.123 403 T CB -0.322 68.000 68.868 -0.910 0.000 0.865 403 T HN 0.208 nan 8.240 nan 0.000 0.496 404 E N -0.021 119.947 120.200 -0.386 0.000 2.869 404 E HA 0.343 4.707 4.350 0.024 0.000 0.207 404 E C -1.391 175.068 176.600 -0.235 0.000 0.986 404 E CA -0.587 55.661 56.400 -0.253 0.000 1.131 404 E CB 0.188 29.775 29.700 -0.189 0.000 1.098 404 E HN 0.612 nan 8.360 nan 0.000 0.459 405 Y N 0.699 120.697 120.300 -0.503 0.000 2.328 405 Y HA 0.140 4.706 4.550 0.027 0.000 0.337 405 Y C 0.889 176.565 175.900 -0.373 0.000 0.966 405 Y CA -1.454 56.294 58.100 -0.587 0.000 1.136 405 Y CB 0.490 38.209 38.460 -1.236 0.000 1.170 405 Y HN 0.242 nan 8.280 nan 0.000 0.470 406 W N 4.403 125.280 121.300 -0.706 0.000 2.336 406 W HA -0.198 4.476 4.660 0.023 0.000 0.277 406 W C -0.601 175.675 176.519 -0.404 0.000 1.211 406 W CA 0.879 57.923 57.345 -0.502 0.000 1.187 406 W CB -0.296 28.875 29.460 -0.482 0.000 1.132 406 W HN 0.607 nan 8.180 nan 0.000 0.562 407 Q N 1.112 119.952 119.800 -1.600 0.000 2.274 407 Q HA 0.546 4.900 4.340 0.024 0.000 0.260 407 Q C -0.276 175.474 176.000 -0.417 0.000 0.974 407 Q CA -0.482 54.577 55.803 -1.240 0.000 0.876 407 Q CB 1.914 29.674 28.738 -1.631 0.000 1.297 407 Q HN 0.057 nan 8.270 nan 0.000 0.446 408 A N 2.535 125.207 122.820 -0.245 0.000 2.488 408 A HA 0.406 4.741 4.320 0.024 0.000 0.249 408 A C -0.083 177.510 177.584 0.015 0.000 1.083 408 A CA 0.443 52.443 52.037 -0.062 0.000 0.768 408 A CB 0.557 19.530 19.000 -0.046 0.000 1.017 408 A HN 0.692 nan 8.150 nan 0.000 0.496 409 T N 0.984 115.611 114.554 0.121 0.000 2.816 409 T HA 0.643 5.007 4.350 0.024 0.000 0.299 409 T C -1.880 173.001 174.700 0.301 0.000 1.230 409 T CA -0.313 61.924 62.100 0.228 0.000 1.007 409 T CB 0.945 70.043 68.868 0.383 0.000 1.289 409 T HN 1.376 nan 8.240 nan 0.000 0.508 410 W N 1.843 123.180 121.300 0.061 0.000 3.189 410 W HA 0.634 5.310 4.660 0.027 0.000 0.314 410 W C -2.703 173.688 176.519 -0.214 0.000 1.204 410 W CA -0.887 56.431 57.345 -0.044 0.000 1.171 410 W CB 0.642 30.039 29.460 -0.105 0.000 1.394 410 W HN 0.711 nan 8.180 nan 0.000 0.568 411 I N 4.725 124.603 120.570 -1.153 0.000 2.569 411 I HA 0.338 4.522 4.170 0.024 0.000 0.290 411 I C -2.014 173.068 176.117 -1.726 0.000 1.088 411 I CA -2.111 58.365 61.300 -1.374 0.000 1.047 411 I CB 2.171 39.251 38.000 -1.533 0.000 1.237 411 I HN 0.061 nan 8.210 nan 0.000 0.421 412 P HA -0.019 nan 4.420 nan 0.000 0.285 412 P C -0.410 176.712 177.300 -0.296 0.000 1.282 412 P CA -0.416 62.107 63.100 -0.961 0.000 0.778 412 P CB 0.378 31.858 31.700 -0.366 0.000 1.222 413 E N 0.992 121.171 120.200 -0.036 0.000 2.585 413 E HA -0.034 4.330 4.350 0.024 0.000 0.252 413 E C -0.877 175.830 176.600 0.179 0.000 0.981 413 E CA 0.319 56.755 56.400 0.060 0.000 0.943 413 E CB 0.047 29.774 29.700 0.047 0.000 0.923 413 E HN 0.340 nan 8.360 nan 0.000 0.486 414 W N 3.464 124.714 121.300 -0.084 0.000 3.038 414 W HA 0.535 5.206 4.660 0.017 0.000 0.347 414 W C -1.188 175.324 176.519 -0.013 0.000 1.219 414 W CA -0.984 56.336 57.345 -0.041 0.000 1.142 414 W CB 0.245 29.623 29.460 -0.136 0.000 1.484 414 W HN 0.562 nan 8.180 nan 0.000 0.586 415 E N 0.614 120.908 120.200 0.157 0.000 2.429 415 E HA 0.591 4.955 4.350 0.024 0.000 0.276 415 E C -2.056 174.729 176.600 0.308 0.000 0.953 415 E CA -0.806 55.575 56.400 -0.031 0.000 0.787 415 E CB 2.953 32.652 29.700 -0.003 0.000 1.307 415 E HN 0.209 nan 8.360 nan 0.000 0.458 416 F N 1.806 121.792 119.950 0.059 0.000 2.375 416 F HA 0.548 5.078 4.527 0.005 0.000 0.333 416 F C -1.032 174.850 175.800 0.137 0.000 1.104 416 F CA -0.867 57.255 58.000 0.204 0.000 1.149 416 F CB 1.659 40.750 39.000 0.151 0.000 1.190 416 F HN 0.276 nan 8.300 nan 0.000 0.533 417 V N 7.032 126.585 119.914 -0.600 0.000 2.524 417 V HA 0.296 4.430 4.120 0.024 0.000 0.297 417 V C -0.881 174.635 176.094 -0.962 0.000 1.035 417 V CA -0.768 61.170 62.300 -0.604 0.000 0.867 417 V CB 1.260 32.986 31.823 -0.161 0.000 1.004 417 V HN 0.842 nan 8.190 nan 0.000 0.426 418 N N 4.468 122.560 118.700 -1.014 0.000 3.050 418 N HA 0.160 4.914 4.740 0.024 0.000 0.289 418 N C -0.328 175.084 175.510 -0.163 0.000 1.209 418 N CA 0.111 52.845 53.050 -0.526 0.000 1.154 418 N CB 0.223 38.581 38.487 -0.216 0.000 1.444 418 N HN 0.718 nan 8.380 nan 0.000 0.529 419 T N 4.508 119.006 114.554 -0.093 0.000 3.154 419 T HA 0.273 4.637 4.350 0.024 0.000 0.381 419 T C -2.337 172.379 174.700 0.028 0.000 1.368 419 T CA -1.070 61.017 62.100 -0.022 0.000 1.155 419 T CB 1.367 70.225 68.868 -0.016 0.000 1.120 419 T HN 0.362 nan 8.240 nan 0.000 0.570 420 P HA 0.103 nan 4.420 nan 0.000 0.269 420 P C -2.461 174.856 177.300 0.029 0.000 1.205 420 P CA -0.880 62.248 63.100 0.047 0.000 0.780 420 P CB -0.176 31.548 31.700 0.039 0.000 0.858 421 P HA 0.251 nan 4.420 nan 0.000 0.280 421 P C -0.138 177.193 177.300 0.052 0.000 1.244 421 P CA -0.108 63.012 63.100 0.033 0.000 0.784 421 P CB 0.801 32.516 31.700 0.025 0.000 0.913 422 L N 2.146 123.406 121.223 0.062 0.000 2.456 422 L HA 0.349 4.703 4.340 0.024 0.000 0.257 422 L C 0.847 177.742 176.870 0.041 0.000 1.162 422 L CA -1.024 53.873 54.840 0.095 0.000 0.808 422 L CB 1.105 43.240 42.059 0.126 0.000 1.136 422 L HN 0.189 nan 8.230 nan 0.000 0.466 423 V N 2.940 122.898 119.914 0.073 0.000 2.383 423 V HA 0.392 4.526 4.120 0.024 0.000 0.275 423 V C -0.182 175.882 176.094 -0.051 0.000 1.036 423 V CA -0.243 62.088 62.300 0.051 0.000 0.889 423 V CB 0.892 32.808 31.823 0.155 0.000 0.985 423 V HN 0.892 nan 8.190 nan 0.000 0.459 424 K N 5.761 126.052 120.400 -0.182 0.000 2.399 424 K HA 0.661 4.995 4.320 0.024 0.000 0.260 424 K C -1.445 174.970 176.600 -0.308 0.000 1.049 424 K CA -1.156 54.979 56.287 -0.252 0.000 0.890 424 K CB 1.892 34.185 32.500 -0.344 0.000 1.430 424 K HN 0.527 nan 8.250 nan 0.000 0.459 425 L N 1.861 122.952 121.223 -0.221 0.000 2.265 425 L HA 0.251 4.605 4.340 0.024 0.000 0.288 425 L C 0.089 176.861 176.870 -0.162 0.000 1.058 425 L CA -0.731 54.039 54.840 -0.116 0.000 0.809 425 L CB 0.343 42.389 42.059 -0.021 0.000 1.179 425 L HN 0.711 nan 8.230 nan 0.000 0.429 426 W N 3.109 124.417 121.300 0.013 0.000 2.525 426 W HA -0.052 4.624 4.660 0.027 0.000 0.259 426 W C 0.316 176.983 176.519 0.246 0.000 1.253 426 W CA 0.226 57.647 57.345 0.126 0.000 1.262 426 W CB -0.191 29.384 29.460 0.190 0.000 1.122 426 W HN 0.527 nan 8.180 nan 0.000 0.607 427 Y N -3.521 116.924 120.300 0.243 0.000 2.774 427 Y HA 0.494 5.057 4.550 0.021 0.000 0.346 427 Y C -1.244 174.750 175.900 0.157 0.000 1.222 427 Y CA -2.206 55.998 58.100 0.173 0.000 1.088 427 Y CB 0.413 38.978 38.460 0.174 0.000 1.354 427 Y HN -0.164 nan 8.280 nan 0.000 0.455 428 Q N 2.690 122.646 119.800 0.259 0.000 2.483 428 Q HA 0.436 4.790 4.340 0.024 0.000 0.245 428 Q C -1.397 174.747 176.000 0.239 0.000 0.902 428 Q CA -0.643 55.255 55.803 0.159 0.000 0.767 428 Q CB 2.343 31.139 28.738 0.097 0.000 1.341 428 Q HN 0.723 nan 8.270 nan 0.000 0.453 429 L N 2.101 123.495 121.223 0.286 0.000 2.543 429 L HA -0.024 4.330 4.340 0.024 0.000 0.285 429 L C 0.882 177.881 176.870 0.215 0.000 1.236 429 L CA 0.340 55.331 54.840 0.252 0.000 0.871 429 L CB 0.130 42.318 42.059 0.215 0.000 1.121 429 L HN 0.406 nan 8.230 nan 0.000 0.501 430 E N 2.244 122.597 120.200 0.254 0.000 2.404 430 E HA -0.031 4.333 4.350 0.024 0.000 0.261 430 E C 0.536 177.286 176.600 0.250 0.000 1.074 430 E CA -0.074 56.455 56.400 0.214 0.000 0.917 430 E CB 0.798 30.598 29.700 0.167 0.000 0.965 430 E HN 0.326 nan 8.360 nan 0.000 0.433 431 K N 0.940 121.407 120.400 0.111 0.000 2.062 431 K HA -0.026 4.309 4.320 0.024 0.000 0.205 431 K C 0.419 177.039 176.600 0.034 0.000 1.051 431 K CA 1.203 57.545 56.287 0.092 0.000 0.941 431 K CB 0.345 32.862 32.500 0.029 0.000 0.719 431 K HN 0.350 nan 8.250 nan 0.000 0.440 432 E N -0.779 119.313 120.200 -0.179 0.000 2.378 432 E HA 0.349 4.713 4.350 0.024 0.000 0.265 432 E C -2.604 173.409 176.600 -0.979 0.000 0.932 432 E CA -2.503 53.621 56.400 -0.460 0.000 0.795 432 E CB 0.952 30.512 29.700 -0.233 0.000 1.296 432 E HN -0.224 nan 8.360 nan 0.000 0.438 433 P HA 0.086 nan 4.420 nan 0.000 0.269 433 P C -0.340 176.748 177.300 -0.354 0.000 1.217 433 P CA 0.323 62.933 63.100 -0.817 0.000 0.783 433 P CB 0.395 31.895 31.700 -0.334 0.000 0.898 434 I N 1.084 121.561 120.570 -0.156 0.000 2.353 434 I HA 0.180 4.364 4.170 0.024 0.000 0.293 434 I C 0.006 176.104 176.117 -0.031 0.000 0.992 434 I CA -0.897 60.367 61.300 -0.062 0.000 1.268 434 I CB 1.234 39.238 38.000 0.007 0.000 1.387 434 I HN -0.027 nan 8.210 nan 0.000 0.478 435 V N 5.185 125.082 119.914 -0.028 0.000 2.546 435 V HA 0.388 4.522 4.120 0.024 0.000 0.284 435 V C 1.051 177.147 176.094 0.004 0.000 1.050 435 V CA 0.281 62.574 62.300 -0.012 0.000 0.981 435 V CB 0.851 32.664 31.823 -0.016 0.000 0.990 435 V HN 1.128 nan 8.190 nan 0.000 0.474 436 G N 3.671 112.478 108.800 0.013 0.000 2.160 436 G HA2 -0.047 3.928 3.960 0.024 0.000 0.251 436 G HA3 -0.047 3.928 3.960 0.024 0.000 0.251 436 G C 0.174 175.091 174.900 0.029 0.000 1.008 436 G CA 0.167 45.278 45.100 0.018 0.000 0.724 436 G HN 1.519 nan 8.290 nan 0.000 0.514 437 A N -0.339 122.504 122.820 0.039 0.000 2.331 437 A HA 0.774 5.108 4.320 0.024 0.000 0.320 437 A C 0.212 177.846 177.584 0.083 0.000 1.138 437 A CA 0.060 52.133 52.037 0.060 0.000 0.790 437 A CB 0.966 20.003 19.000 0.060 0.000 1.206 437 A HN 0.573 nan 8.150 nan 0.000 0.470 438 E N 0.950 121.216 120.200 0.110 0.000 2.467 438 E HA 0.158 4.523 4.350 0.024 0.000 0.264 438 E C -0.610 176.098 176.600 0.179 0.000 1.020 438 E CA 0.584 57.052 56.400 0.113 0.000 0.945 438 E CB 0.411 30.200 29.700 0.149 0.000 0.942 438 E HN 0.520 nan 8.360 nan 0.000 0.449 439 T N 5.036 119.654 114.554 0.106 0.000 2.842 439 T HA 0.290 4.654 4.350 0.024 0.000 0.308 439 T C -1.007 173.769 174.700 0.128 0.000 1.041 439 T CA -0.447 61.733 62.100 0.133 0.000 0.964 439 T CB -0.073 68.855 68.868 0.101 0.000 0.972 439 T HN 0.217 nan 8.240 nan 0.000 0.460 440 F N 2.792 122.701 119.950 -0.069 0.000 2.411 440 F HA 0.371 4.913 4.527 0.025 0.000 0.355 440 F C 0.068 175.839 175.800 -0.048 0.000 1.117 440 F CA -1.296 56.684 58.000 -0.033 0.000 1.139 440 F CB 0.415 39.301 39.000 -0.190 0.000 1.120 440 F HN 0.500 nan 8.300 nan 0.000 0.493 441 Y N 3.422 123.827 120.300 0.176 0.000 2.535 441 Y HA 0.406 4.970 4.550 0.024 0.000 0.349 441 Y C 0.267 176.269 175.900 0.168 0.000 0.992 441 Y CA -1.038 57.135 58.100 0.121 0.000 1.248 441 Y CB 0.500 38.997 38.460 0.061 0.000 1.124 441 Y HN 0.388 nan 8.280 nan 0.000 0.520 442 V N 0.031 120.077 119.914 0.220 0.000 2.743 442 V HA 0.761 4.895 4.120 0.024 0.000 0.301 442 V C -0.634 175.540 176.094 0.133 0.000 1.057 442 V CA -0.492 61.936 62.300 0.213 0.000 1.006 442 V CB 1.991 33.908 31.823 0.157 0.000 1.024 442 V HN 0.624 nan 8.190 nan 0.000 0.473 443 D N 1.260 121.732 120.400 0.119 0.000 2.803 443 D HA 0.707 5.361 4.640 0.024 0.000 0.218 443 D C -0.478 175.858 176.300 0.060 0.000 1.245 443 D CA 0.369 54.410 54.000 0.069 0.000 0.821 443 D CB 2.071 42.903 40.800 0.053 0.000 1.626 443 D HN 1.168 nan 8.370 nan 0.000 0.487 444 G N 0.558 109.385 108.800 0.045 0.000 2.662 444 G HA2 0.800 4.774 3.960 0.024 0.000 0.302 444 G HA3 0.800 4.774 3.960 0.024 0.000 0.302 444 G C -1.469 173.454 174.900 0.038 0.000 1.389 444 G CA -0.375 44.750 45.100 0.042 0.000 0.998 444 G HN 0.605 nan 8.290 nan 0.000 0.502 445 A N 0.144 122.986 122.820 0.037 0.000 2.549 445 A HA 1.053 5.388 4.320 0.024 0.000 0.297 445 A C -0.495 177.109 177.584 0.034 0.000 1.061 445 A CA -0.122 51.940 52.037 0.041 0.000 0.690 445 A CB 1.853 20.881 19.000 0.047 0.000 1.287 445 A HN 2.411 nan 8.150 nan 0.000 0.402 446 A N 1.244 124.085 122.820 0.035 0.000 2.589 446 A HA 0.656 4.990 4.320 0.024 0.000 0.296 446 A C -1.051 176.549 177.584 0.027 0.000 1.062 446 A CA -0.646 51.408 52.037 0.028 0.000 0.686 446 A CB 1.069 20.083 19.000 0.024 0.000 1.282 446 A HN 0.874 nan 8.150 nan 0.000 0.404 447 N N 1.393 120.107 118.700 0.022 0.000 2.402 447 N HA 0.030 4.784 4.740 0.024 0.000 0.259 447 N C 0.761 176.283 175.510 0.020 0.000 1.167 447 N CA -0.228 52.834 53.050 0.020 0.000 0.949 447 N CB 0.557 39.053 38.487 0.015 0.000 1.212 447 N HN 0.593 nan 8.380 nan 0.000 0.493 448 R N 2.536 123.050 120.500 0.023 0.000 2.249 448 R HA -0.086 4.268 4.340 0.024 0.000 0.230 448 R C 0.922 177.232 176.300 0.018 0.000 1.121 448 R CA 0.961 57.074 56.100 0.022 0.000 0.997 448 R CB 0.237 30.553 30.300 0.026 0.000 0.867 448 R HN 0.707 nan 8.270 nan 0.000 0.465 449 E N -1.115 119.095 120.200 0.016 0.000 2.057 449 E HA -0.061 4.303 4.350 0.024 0.000 0.190 449 E C 1.652 178.259 176.600 0.011 0.000 0.969 449 E CA 1.479 57.887 56.400 0.013 0.000 0.812 449 E CB 0.080 29.787 29.700 0.012 0.000 0.777 449 E HN 0.355 nan 8.360 nan 0.000 0.455 450 T N -1.055 113.505 114.554 0.011 0.000 3.088 450 T HA 0.042 4.407 4.350 0.024 0.000 0.259 450 T C 0.679 175.385 174.700 0.010 0.000 1.122 450 T CA 0.165 62.270 62.100 0.010 0.000 1.095 450 T CB -0.151 68.722 68.868 0.009 0.000 0.930 450 T HN 0.051 nan 8.240 nan 0.000 0.508 451 K N 0.850 121.257 120.400 0.012 0.000 3.035 451 K HA -0.130 4.204 4.320 0.024 0.000 0.262 451 K C -0.780 175.827 176.600 0.011 0.000 1.024 451 K CA 0.298 56.593 56.287 0.012 0.000 0.748 451 K CB -2.166 30.340 32.500 0.010 0.000 1.247 451 K HN 0.517 nan 8.250 nan 0.000 0.482 452 L N 0.492 121.722 121.223 0.012 0.000 2.298 452 L HA 0.576 4.930 4.340 0.024 0.000 0.284 452 L C 0.840 177.718 176.870 0.013 0.000 1.013 452 L CA -0.594 54.253 54.840 0.011 0.000 0.824 452 L CB 1.804 43.868 42.059 0.009 0.000 1.221 452 L HN 0.227 nan 8.230 nan 0.000 0.418 453 G N 2.562 111.370 108.800 0.014 0.000 2.949 453 G HA2 0.705 4.679 3.960 0.024 0.000 0.285 453 G HA3 0.705 4.679 3.960 0.024 0.000 0.285 453 G C -1.505 173.404 174.900 0.016 0.000 1.395 453 G CA -0.581 44.529 45.100 0.017 0.000 0.901 453 G HN 0.401 nan 8.290 nan 0.000 0.519 454 K N -0.805 119.606 120.400 0.018 0.000 2.464 454 K HA 0.708 5.042 4.320 0.024 0.000 0.253 454 K C -1.069 175.545 176.600 0.023 0.000 0.933 454 K CA -0.672 55.625 56.287 0.016 0.000 0.801 454 K CB 2.688 35.194 32.500 0.009 0.000 1.271 454 K HN 0.725 nan 8.250 nan 0.000 0.430 455 A N 1.179 124.014 122.820 0.025 0.000 2.422 455 A HA 0.922 5.256 4.320 0.024 0.000 0.302 455 A C -0.662 176.940 177.584 0.031 0.000 1.041 455 A CA -0.434 51.628 52.037 0.042 0.000 0.708 455 A CB 1.887 20.923 19.000 0.060 0.000 1.257 455 A HN 0.796 nan 8.150 nan 0.000 0.414 456 G N -0.216 108.615 108.800 0.051 0.000 2.430 456 G HA2 0.690 4.664 3.960 0.024 0.000 0.300 456 G HA3 0.690 4.664 3.960 0.024 0.000 0.300 456 G C -1.383 173.588 174.900 0.118 0.000 1.330 456 G CA 0.219 45.314 45.100 -0.007 0.000 0.813 456 G HN 1.953 nan 8.290 nan 0.000 0.487 457 Y N -2.851 117.512 120.300 0.105 0.000 2.728 457 Y HA 0.833 5.397 4.550 0.024 0.000 0.330 457 Y C -1.080 174.873 175.900 0.088 0.000 1.234 457 Y CA -1.793 56.394 58.100 0.145 0.000 1.070 457 Y CB 1.548 40.178 38.460 0.283 0.000 1.300 457 Y HN 0.745 nan 8.280 nan 0.000 0.467 458 V N 1.562 121.713 119.914 0.395 0.000 2.624 458 V HA 0.422 4.557 4.120 0.024 0.000 0.294 458 V C -0.244 175.949 176.094 0.166 0.000 1.077 458 V CA -0.218 62.195 62.300 0.189 0.000 0.905 458 V CB 1.174 33.031 31.823 0.056 0.000 1.025 458 V HN 1.145 nan 8.190 nan 0.000 0.440 459 T N 0.389 114.931 114.554 -0.020 0.000 2.847 459 T HA 0.223 4.587 4.350 0.024 0.000 0.279 459 T C 1.257 175.921 174.700 -0.060 0.000 0.984 459 T CA 0.011 61.985 62.100 -0.211 0.000 0.988 459 T CB 1.040 69.469 68.868 -0.732 0.000 1.040 459 T HN 0.682 nan 8.240 nan 0.000 0.528 460 N N 1.112 119.810 118.700 -0.004 0.000 2.459 460 N HA -0.114 4.640 4.740 0.024 0.000 0.181 460 N C 1.352 176.844 175.510 -0.031 0.000 1.046 460 N CA 0.572 53.630 53.050 0.014 0.000 0.904 460 N CB -0.372 38.164 38.487 0.082 0.000 0.964 460 N HN 0.670 nan 8.380 nan 0.000 0.444 461 R N -0.371 120.090 120.500 -0.065 0.000 2.313 461 R HA 0.143 4.497 4.340 0.024 0.000 0.199 461 R C 0.788 177.056 176.300 -0.053 0.000 0.958 461 R CA 0.511 56.577 56.100 -0.056 0.000 1.047 461 R CB 0.017 30.278 30.300 -0.064 0.000 0.955 461 R HN 0.446 nan 8.270 nan 0.000 0.481 462 G N 1.375 110.140 108.800 -0.059 0.000 2.175 462 G HA2 -0.306 3.668 3.960 0.024 0.000 0.244 462 G HA3 -0.306 3.668 3.960 0.024 0.000 0.244 462 G C 0.134 175.013 174.900 -0.035 0.000 0.982 462 G CA -0.198 44.876 45.100 -0.044 0.000 0.641 462 G HN 0.324 nan 8.290 nan 0.000 0.527 463 R N 1.266 121.739 120.500 -0.044 0.000 2.438 463 R HA 0.497 4.851 4.340 0.024 0.000 0.287 463 R C 0.391 176.736 176.300 0.075 0.000 1.077 463 R CA 0.495 56.602 56.100 0.013 0.000 1.034 463 R CB 0.250 30.553 30.300 0.005 0.000 0.993 463 R HN 0.656 nan 8.270 nan 0.000 0.459 464 Q N 2.509 122.319 119.800 0.017 0.000 2.565 464 Q HA 0.553 4.907 4.340 0.024 0.000 0.294 464 Q C -1.724 174.036 176.000 -0.400 0.000 1.005 464 Q CA -1.232 54.465 55.803 -0.176 0.000 0.771 464 Q CB 2.437 31.104 28.738 -0.119 0.000 1.486 464 Q HN 0.529 nan 8.270 nan 0.000 0.422 465 K N -0.290 119.718 120.400 -0.654 0.000 2.625 465 K HA 0.668 5.002 4.320 0.024 0.000 0.284 465 K C -2.402 173.982 176.600 -0.359 0.000 0.984 465 K CA -0.698 55.285 56.287 -0.505 0.000 0.865 465 K CB 2.739 34.869 32.500 -0.617 0.000 1.468 465 K HN 0.571 nan 8.250 nan 0.000 0.407 466 V N 3.004 122.806 119.914 -0.186 0.000 2.891 466 V HA 0.665 4.799 4.120 0.024 0.000 0.304 466 V C -1.918 174.144 176.094 -0.054 0.000 1.171 466 V CA -0.477 61.762 62.300 -0.101 0.000 0.943 466 V CB 2.152 33.931 31.823 -0.074 0.000 1.037 466 V HN 0.605 nan 8.190 nan 0.000 0.427 467 V N 4.769 124.670 119.914 -0.022 0.000 2.604 467 V HA 0.595 4.730 4.120 0.024 0.000 0.305 467 V C 0.125 176.222 176.094 0.006 0.000 1.043 467 V CA -0.317 61.983 62.300 -0.001 0.000 0.888 467 V CB 2.442 34.278 31.823 0.021 0.000 0.995 467 V HN 1.015 nan 8.190 nan 0.000 0.429 468 T N 3.796 118.353 114.554 0.005 0.000 2.771 468 T HA 0.771 5.135 4.350 0.024 0.000 0.291 468 T C -0.647 174.060 174.700 0.011 0.000 0.954 468 T CA -0.438 61.666 62.100 0.007 0.000 1.045 468 T CB 0.548 69.418 68.868 0.003 0.000 0.917 468 T HN 0.371 nan 8.240 nan 0.000 0.484 469 L N 3.404 124.634 121.223 0.013 0.000 2.365 469 L HA 0.676 5.030 4.340 0.024 0.000 0.273 469 L C 0.627 177.503 176.870 0.011 0.000 1.000 469 L CA -1.001 53.847 54.840 0.014 0.000 0.819 469 L CB 2.494 44.563 42.059 0.017 0.000 1.284 469 L HN 0.927 nan 8.230 nan 0.000 0.418 470 T N -2.484 112.076 114.554 0.009 0.000 2.940 470 T HA 0.419 4.783 4.350 0.024 0.000 0.288 470 T C -0.068 174.636 174.700 0.006 0.000 1.033 470 T CA -0.518 61.587 62.100 0.008 0.000 1.033 470 T CB 1.638 70.510 68.868 0.006 0.000 1.079 470 T HN 0.741 nan 8.240 nan 0.000 0.496 471 D N -0.325 120.079 120.400 0.006 0.000 2.705 471 D HA -0.175 4.480 4.640 0.024 0.000 0.240 471 D C -0.273 176.030 176.300 0.004 0.000 1.137 471 D CA 1.517 55.520 54.000 0.005 0.000 0.677 471 D CB -1.044 39.758 40.800 0.003 0.000 1.049 471 D HN 0.911 nan 8.370 nan 0.000 0.427 472 T N -0.731 113.827 114.554 0.006 0.000 2.888 472 T HA 0.783 5.148 4.350 0.024 0.000 0.288 472 T C -0.220 174.485 174.700 0.009 0.000 1.063 472 T CA 0.194 62.297 62.100 0.006 0.000 1.010 472 T CB 1.677 70.549 68.868 0.007 0.000 1.214 472 T HN 0.321 nan 8.240 nan 0.000 0.533 473 T N 0.408 114.967 114.554 0.008 0.000 2.932 473 T HA 0.427 4.792 4.350 0.024 0.000 0.289 473 T C 1.086 175.796 174.700 0.017 0.000 1.039 473 T CA -0.876 61.233 62.100 0.014 0.000 1.024 473 T CB 1.500 70.376 68.868 0.015 0.000 1.090 473 T HN 0.521 nan 8.240 nan 0.000 0.496 474 N N 0.234 118.949 118.700 0.026 0.000 2.104 474 N HA -0.181 4.573 4.740 0.024 0.000 0.190 474 N C 1.715 177.242 175.510 0.028 0.000 1.024 474 N CA 1.552 54.621 53.050 0.033 0.000 0.853 474 N CB -0.231 38.283 38.487 0.045 0.000 1.008 474 N HN 0.812 nan 8.380 nan 0.000 0.424 475 Q N 0.790 120.607 119.800 0.028 0.000 2.061 475 Q HA -0.160 4.194 4.340 0.024 0.000 0.204 475 Q C 1.654 177.636 176.000 -0.030 0.000 0.984 475 Q CA 1.533 57.344 55.803 0.013 0.000 0.846 475 Q CB 0.053 28.805 28.738 0.024 0.000 0.902 475 Q HN 0.341 nan 8.270 nan 0.000 0.421 476 K N -0.348 120.035 120.400 -0.028 0.000 2.147 476 K HA -0.113 4.221 4.320 0.024 0.000 0.205 476 K C 2.204 178.794 176.600 -0.017 0.000 1.049 476 K CA 1.711 57.973 56.287 -0.041 0.000 0.936 476 K CB -0.144 32.337 32.500 -0.031 0.000 0.722 476 K HN 0.447 nan 8.250 nan 0.000 0.446 477 T N -0.398 114.158 114.554 0.004 0.000 2.737 477 T HA -0.116 4.248 4.350 0.024 0.000 0.265 477 T C 1.774 176.491 174.700 0.028 0.000 1.038 477 T CA 0.943 63.055 62.100 0.021 0.000 1.144 477 T CB -0.269 68.615 68.868 0.027 0.000 0.866 477 T HN 0.227 nan 8.240 nan 0.000 0.434 478 E N 1.136 121.350 120.200 0.023 0.000 2.085 478 E HA -0.043 4.321 4.350 0.024 0.000 0.194 478 E C 2.248 178.859 176.600 0.019 0.000 0.994 478 E CA 1.067 57.485 56.400 0.030 0.000 0.801 478 E CB -0.378 29.343 29.700 0.036 0.000 0.743 478 E HN 0.468 nan 8.360 nan 0.000 0.453 479 L N 0.467 121.677 121.223 -0.021 0.000 2.056 479 L HA -0.211 4.143 4.340 0.024 0.000 0.207 479 L C 2.699 179.579 176.870 0.016 0.000 1.078 479 L CA 1.007 55.816 54.840 -0.051 0.000 0.749 479 L CB -0.249 41.724 42.059 -0.144 0.000 0.901 479 L HN 0.133 nan 8.230 nan 0.000 0.433 480 Q N 0.356 120.177 119.800 0.035 0.000 2.124 480 Q HA -0.159 4.196 4.340 0.024 0.000 0.202 480 Q C 2.148 178.233 176.000 0.142 0.000 0.977 480 Q CA 1.833 57.703 55.803 0.110 0.000 0.850 480 Q CB -0.202 28.586 28.738 0.083 0.000 0.901 480 Q HN 0.412 nan 8.270 nan 0.000 0.429 481 A N 0.558 123.439 122.820 0.103 0.000 1.873 481 A HA -0.229 4.105 4.320 0.024 0.000 0.218 481 A C 2.136 179.792 177.584 0.120 0.000 1.193 481 A CA 1.905 54.017 52.037 0.126 0.000 0.629 481 A CB -0.967 18.095 19.000 0.102 0.000 0.826 481 A HN 0.504 nan 8.150 nan 0.000 0.447 482 I N -2.221 118.393 120.570 0.073 0.000 2.226 482 I HA -0.260 3.924 4.170 0.024 0.000 0.245 482 I C 2.491 178.613 176.117 0.009 0.000 1.100 482 I CA 1.767 63.077 61.300 0.018 0.000 1.374 482 I CB -0.462 37.543 38.000 0.009 0.000 1.057 482 I HN 0.532 nan 8.210 nan 0.000 0.413 483 Y N 1.785 122.050 120.300 -0.059 0.000 2.128 483 Y HA -0.241 4.323 4.550 0.022 0.000 0.284 483 Y C 2.293 178.157 175.900 -0.059 0.000 1.154 483 Y CA 1.516 59.576 58.100 -0.068 0.000 1.149 483 Y CB -0.491 37.941 38.460 -0.046 0.000 0.976 483 Y HN 0.015 nan 8.280 nan 0.000 0.505 484 L N -0.422 120.753 121.223 -0.080 0.000 2.012 484 L HA -0.280 4.074 4.340 0.024 0.000 0.210 484 L C 2.802 179.558 176.870 -0.191 0.000 1.073 484 L CA 1.346 56.137 54.840 -0.083 0.000 0.748 484 L CB -1.146 41.035 42.059 0.203 0.000 0.891 484 L HN 0.330 nan 8.230 nan 0.000 0.431 485 A N 0.229 122.889 122.820 -0.267 0.000 1.865 485 A HA -0.216 4.118 4.320 0.024 0.000 0.217 485 A C 2.248 179.289 177.584 -0.904 0.000 1.191 485 A CA 1.753 53.298 52.037 -0.820 0.000 0.623 485 A CB -0.859 17.766 19.000 -0.625 0.000 0.826 485 A HN 0.368 nan 8.150 nan 0.000 0.444 486 L N -1.224 119.676 121.223 -0.539 0.000 2.046 486 L HA -0.258 4.096 4.340 0.024 0.000 0.208 486 L C 2.934 179.568 176.870 -0.392 0.000 1.077 486 L CA 1.882 56.469 54.840 -0.422 0.000 0.747 486 L CB -0.569 41.338 42.059 -0.253 0.000 0.896 486 L HN 0.563 nan 8.230 nan 0.000 0.432 487 Q N -0.031 119.501 119.800 -0.448 0.000 2.020 487 Q HA -0.233 4.121 4.340 0.024 0.000 0.202 487 Q C 1.656 177.513 176.000 -0.238 0.000 0.982 487 Q CA 2.020 57.588 55.803 -0.391 0.000 0.838 487 Q CB 0.138 28.542 28.738 -0.558 0.000 0.899 487 Q HN 0.458 nan 8.270 nan 0.000 0.423 488 D N 0.127 120.396 120.400 -0.219 0.000 2.234 488 D HA -0.037 4.617 4.640 0.024 0.000 0.205 488 D C 0.903 177.183 176.300 -0.033 0.000 0.962 488 D CA 0.676 54.643 54.000 -0.055 0.000 0.855 488 D CB -0.147 40.734 40.800 0.135 0.000 0.951 488 D HN 0.243 nan 8.370 nan 0.000 0.500 489 S N -0.196 115.330 115.700 -0.289 0.000 2.606 489 S HA 0.416 4.900 4.470 0.024 0.000 0.257 489 S C 0.979 175.547 174.600 -0.055 0.000 1.327 489 S CA -0.323 57.775 58.200 -0.170 0.000 0.984 489 S CB 1.117 63.934 63.200 -0.639 0.000 0.941 489 S HN 0.133 nan 8.310 nan 0.000 0.576 490 G N -0.750 108.060 108.800 0.016 0.000 2.582 490 G HA2 0.424 4.398 3.960 0.024 0.000 0.232 490 G HA3 0.424 4.398 3.960 0.024 0.000 0.232 490 G C 0.473 175.362 174.900 -0.017 0.000 1.458 490 G CA -0.830 44.277 45.100 0.011 0.000 1.062 490 G HN 0.673 nan 8.290 nan 0.000 0.566 491 L N -0.318 120.905 121.223 0.001 0.000 2.599 491 L HA 0.231 4.585 4.340 0.024 0.000 0.230 491 L C 0.484 177.358 176.870 0.006 0.000 1.141 491 L CA 0.680 55.520 54.840 -0.000 0.000 0.877 491 L CB -0.087 41.979 42.059 0.012 0.000 1.009 491 L HN 0.387 nan 8.230 nan 0.000 0.447 492 E N -0.283 119.925 120.200 0.013 0.000 2.265 492 E HA 0.467 4.832 4.350 0.024 0.000 0.262 492 E C -1.435 175.185 176.600 0.034 0.000 0.889 492 E CA -0.181 56.235 56.400 0.026 0.000 0.789 492 E CB 3.199 32.919 29.700 0.035 0.000 1.221 492 E HN -0.182 nan 8.360 nan 0.000 0.414 493 V N 3.117 123.045 119.914 0.023 0.000 3.087 493 V HA 0.493 4.627 4.120 0.024 0.000 0.306 493 V C -1.739 174.393 176.094 0.063 0.000 1.187 493 V CA -0.678 61.642 62.300 0.032 0.000 0.999 493 V CB 2.426 34.170 31.823 -0.131 0.000 1.049 493 V HN 0.615 nan 8.190 nan 0.000 0.431 494 N N 5.016 123.784 118.700 0.113 0.000 2.372 494 N HA 0.630 5.384 4.740 0.024 0.000 0.291 494 N C -1.201 174.343 175.510 0.057 0.000 1.024 494 N CA -0.185 52.945 53.050 0.133 0.000 0.873 494 N CB 2.180 40.761 38.487 0.156 0.000 1.206 494 N HN 0.615 nan 8.380 nan 0.000 0.486 495 I N 1.630 122.183 120.570 -0.028 0.000 2.466 495 I HA 0.352 4.537 4.170 0.024 0.000 0.289 495 I C -0.494 175.540 176.117 -0.138 0.000 1.026 495 I CA -1.002 60.249 61.300 -0.081 0.000 1.078 495 I CB 2.188 40.121 38.000 -0.112 0.000 1.249 495 I HN -0.026 nan 8.210 nan 0.000 0.429 496 V N 4.547 124.350 119.914 -0.184 0.000 2.417 496 V HA 0.605 4.739 4.120 0.024 0.000 0.291 496 V C -0.066 175.962 176.094 -0.109 0.000 1.024 496 V CA -0.319 61.848 62.300 -0.222 0.000 0.861 496 V CB 1.752 33.285 31.823 -0.483 0.000 0.985 496 V HN 0.823 nan 8.190 nan 0.000 0.436 497 T N 1.687 116.194 114.554 -0.079 0.000 2.894 497 T HA 0.424 4.788 4.350 0.024 0.000 0.309 497 T C -0.459 174.178 174.700 -0.105 0.000 1.208 497 T CA -0.313 61.767 62.100 -0.033 0.000 1.016 497 T CB 1.802 70.690 68.868 0.034 0.000 1.192 497 T HN 0.916 nan 8.240 nan 0.000 0.491 498 D N 0.926 121.252 120.400 -0.122 0.000 2.463 498 D HA 0.268 4.922 4.640 0.024 0.000 0.224 498 D C 0.328 176.690 176.300 0.104 0.000 1.174 498 D CA -0.337 53.496 54.000 -0.279 0.000 0.829 498 D CB 0.421 41.039 40.800 -0.303 0.000 0.993 498 D HN 0.269 nan 8.370 nan 0.000 0.497 499 S N 0.379 116.215 115.700 0.226 0.000 2.481 499 S HA 0.006 4.490 4.470 0.024 0.000 0.276 499 S C 1.299 176.119 174.600 0.365 0.000 1.247 499 S CA -0.499 57.859 58.200 0.263 0.000 1.053 499 S CB 0.804 64.105 63.200 0.168 0.000 0.925 499 S HN 0.133 nan 8.310 nan 0.000 0.491 500 Q N 3.759 123.722 119.800 0.271 0.000 2.170 500 Q HA -0.153 4.201 4.340 0.024 0.000 0.203 500 Q C 1.349 177.350 176.000 0.002 0.000 0.976 500 Q CA 1.650 57.499 55.803 0.076 0.000 0.858 500 Q CB -0.371 28.397 28.738 0.051 0.000 0.907 500 Q HN 0.988 nan 8.270 nan 0.000 0.433 501 Y N 0.881 121.164 120.300 -0.029 0.000 2.200 501 Y HA -0.187 4.376 4.550 0.023 0.000 0.290 501 Y C 2.281 178.140 175.900 -0.068 0.000 1.137 501 Y CA 1.176 59.240 58.100 -0.059 0.000 1.163 501 Y CB 0.016 38.465 38.460 -0.018 0.000 0.988 501 Y HN 0.137 nan 8.280 nan 0.000 0.518 502 A N -0.071 122.906 122.820 0.261 0.000 1.972 502 A HA -0.214 4.120 4.320 0.024 0.000 0.219 502 A C 2.027 179.639 177.584 0.047 0.000 1.169 502 A CA 1.554 53.692 52.037 0.167 0.000 0.635 502 A CB -1.044 18.040 19.000 0.139 0.000 0.810 502 A HN 0.525 nan 8.150 nan 0.000 0.446 503 L N 0.123 121.311 121.223 -0.057 0.000 2.079 503 L HA -0.106 4.248 4.340 0.024 0.000 0.210 503 L C 2.415 179.147 176.870 -0.229 0.000 1.081 503 L CA 2.057 56.749 54.840 -0.246 0.000 0.752 503 L CB -0.992 40.724 42.059 -0.572 0.000 0.896 503 L HN 0.342 nan 8.230 nan 0.000 0.433 504 G N -0.791 107.869 108.800 -0.233 0.000 2.408 504 G HA2 -0.219 3.755 3.960 0.024 0.000 0.217 504 G HA3 -0.219 3.755 3.960 0.024 0.000 0.217 504 G C 1.631 176.434 174.900 -0.161 0.000 1.150 504 G CA 0.948 45.862 45.100 -0.311 0.000 0.776 504 G HN 0.461 nan 8.290 nan 0.000 0.542 505 I N 0.656 121.219 120.570 -0.012 0.000 2.315 505 I HA -0.109 4.075 4.170 0.024 0.000 0.248 505 I C 2.529 178.709 176.117 0.105 0.000 1.117 505 I CA 0.696 62.059 61.300 0.105 0.000 1.404 505 I CB -0.154 37.943 38.000 0.160 0.000 1.071 505 I HN 0.148 nan 8.210 nan 0.000 0.419 506 I N 0.220 120.810 120.570 0.034 0.000 2.286 506 I HA -0.298 3.886 4.170 0.024 0.000 0.248 506 I C 2.644 178.774 176.117 0.021 0.000 1.115 506 I CA 1.389 62.705 61.300 0.027 0.000 1.392 506 I CB -0.373 37.608 38.000 -0.032 0.000 1.065 506 I HN 0.363 nan 8.210 nan 0.000 0.418 507 Q N 0.947 120.723 119.800 -0.041 0.000 2.089 507 Q HA -0.100 4.254 4.340 0.024 0.000 0.195 507 Q C 2.257 178.308 176.000 0.085 0.000 0.963 507 Q CA 1.499 57.268 55.803 -0.058 0.000 0.834 507 Q CB 0.058 28.646 28.738 -0.250 0.000 0.906 507 Q HN 0.497 nan 8.270 nan 0.000 0.452 508 A N -0.110 122.788 122.820 0.131 0.000 1.956 508 A HA 0.016 4.350 4.320 0.024 0.000 0.212 508 A C 0.457 178.277 177.584 0.393 0.000 1.188 508 A CA 0.538 52.804 52.037 0.383 0.000 0.675 508 A CB 0.088 19.282 19.000 0.323 0.000 0.845 508 A HN 0.517 nan 8.150 nan 0.000 0.455 509 Q N -0.542 119.427 119.800 0.280 0.000 2.454 509 Q HA -0.112 4.242 4.340 0.024 0.000 0.341 509 Q C -2.334 173.826 176.000 0.267 0.000 1.437 509 Q CA 0.319 56.288 55.803 0.276 0.000 0.935 509 Q CB -1.608 27.189 28.738 0.099 0.000 1.164 509 Q HN 0.588 nan 8.270 nan 0.000 0.373 510 P HA -0.003 nan 4.420 nan 0.000 0.272 510 P C -0.178 177.325 177.300 0.337 0.000 1.223 510 P CA 0.358 63.652 63.100 0.324 0.000 0.784 510 P CB 0.648 32.541 31.700 0.321 0.000 0.923 511 D N -0.553 119.987 120.400 0.234 0.000 2.650 511 D HA 0.144 4.798 4.640 0.024 0.000 0.265 511 D C 0.003 176.305 176.300 0.003 0.000 1.339 511 D CA -0.319 53.769 54.000 0.147 0.000 0.816 511 D CB 0.041 40.894 40.800 0.089 0.000 1.091 511 D HN 0.513 nan 8.370 nan 0.000 0.483 512 Q N -1.226 118.620 119.800 0.076 0.000 2.776 512 Q HA 0.466 4.820 4.340 0.024 0.000 0.248 512 Q C -1.687 174.374 176.000 0.102 0.000 0.990 512 Q CA -0.874 54.951 55.803 0.036 0.000 0.953 512 Q CB 0.861 29.601 28.738 0.003 0.000 1.801 512 Q HN 0.162 nan 8.270 nan 0.000 0.448 513 S N 0.195 115.942 115.700 0.078 0.000 2.757 513 S HA 0.380 4.864 4.470 0.024 0.000 0.285 513 S C 0.222 174.855 174.600 0.055 0.000 1.196 513 S CA -0.119 58.147 58.200 0.110 0.000 0.856 513 S CB 0.973 64.290 63.200 0.196 0.000 1.212 513 S HN 0.899 nan 8.310 nan 0.000 0.516 514 E N 0.171 120.407 120.200 0.060 0.000 2.276 514 E HA 0.193 4.558 4.350 0.024 0.000 0.193 514 E C 0.679 177.291 176.600 0.021 0.000 0.983 514 E CA 0.413 56.831 56.400 0.030 0.000 0.861 514 E CB 0.021 29.736 29.700 0.026 0.000 0.817 514 E HN 0.403 nan 8.360 nan 0.000 0.485 515 S N 0.587 116.306 115.700 0.031 0.000 2.523 515 S HA 0.048 4.533 4.470 0.024 0.000 0.275 515 S C 0.733 175.304 174.600 -0.048 0.000 1.281 515 S CA -0.467 57.725 58.200 -0.013 0.000 1.050 515 S CB 1.383 64.561 63.200 -0.037 0.000 0.937 515 S HN 0.264 nan 8.310 nan 0.000 0.492 516 E N 4.316 124.477 120.200 -0.066 0.000 2.110 516 E HA -0.095 4.269 4.350 0.024 0.000 0.193 516 E C 1.685 178.197 176.600 -0.146 0.000 0.988 516 E CA 1.425 57.770 56.400 -0.092 0.000 0.804 516 E CB -0.320 29.328 29.700 -0.086 0.000 0.745 516 E HN 0.803 nan 8.360 nan 0.000 0.458 517 L N -0.457 120.670 121.223 -0.159 0.000 1.970 517 L HA -0.220 4.134 4.340 0.024 0.000 0.212 517 L C 2.336 179.076 176.870 -0.217 0.000 1.071 517 L CA 1.524 56.230 54.840 -0.225 0.000 0.751 517 L CB -0.420 41.528 42.059 -0.185 0.000 0.889 517 L HN 0.134 nan 8.230 nan 0.000 0.432 518 V N 0.049 119.870 119.914 -0.156 0.000 2.332 518 V HA -0.349 3.785 4.120 0.024 0.000 0.248 518 V C 2.005 178.055 176.094 -0.072 0.000 1.055 518 V CA 2.384 64.622 62.300 -0.105 0.000 1.038 518 V CB -0.943 30.854 31.823 -0.044 0.000 0.651 518 V HN 0.544 nan 8.190 nan 0.000 0.450 519 N N -0.408 118.245 118.700 -0.078 0.000 2.120 519 N HA -0.230 4.524 4.740 0.024 0.000 0.188 519 N C 1.969 177.416 175.510 -0.105 0.000 1.024 519 N CA 1.297 54.303 53.050 -0.074 0.000 0.852 519 N CB -0.158 38.284 38.487 -0.075 0.000 1.003 519 N HN 0.609 nan 8.380 nan 0.000 0.424 520 Q N 0.768 120.458 119.800 -0.184 0.000 2.050 520 Q HA -0.099 4.255 4.340 0.024 0.000 0.202 520 Q C 2.133 178.068 176.000 -0.107 0.000 0.980 520 Q CA 1.042 56.694 55.803 -0.251 0.000 0.840 520 Q CB -0.080 28.263 28.738 -0.657 0.000 0.898 520 Q HN 0.449 nan 8.270 nan 0.000 0.424 521 I N 0.651 121.157 120.570 -0.108 0.000 2.264 521 I HA -0.296 3.888 4.170 0.024 0.000 0.248 521 I C 2.187 178.284 176.117 -0.033 0.000 1.111 521 I CA 1.128 62.445 61.300 0.028 0.000 1.382 521 I CB -0.272 37.718 38.000 -0.016 0.000 1.060 521 I HN 0.243 nan 8.210 nan 0.000 0.418 522 I N 0.303 120.840 120.570 -0.054 0.000 2.226 522 I HA -0.248 3.936 4.170 0.024 0.000 0.245 522 I C 2.546 178.624 176.117 -0.066 0.000 1.100 522 I CA 1.143 62.400 61.300 -0.072 0.000 1.374 522 I CB -0.522 37.481 38.000 0.004 0.000 1.057 522 I HN 0.232 nan 8.210 nan 0.000 0.413 523 E N 0.734 120.914 120.200 -0.033 0.000 2.058 523 E HA -0.236 4.128 4.350 0.024 0.000 0.194 523 E C 2.177 178.782 176.600 0.008 0.000 0.997 523 E CA 1.194 57.590 56.400 -0.007 0.000 0.801 523 E CB -0.432 29.272 29.700 0.006 0.000 0.746 523 E HN 0.484 nan 8.360 nan 0.000 0.450 524 Q N 0.484 120.299 119.800 0.025 0.000 2.030 524 Q HA -0.084 4.270 4.340 0.024 0.000 0.204 524 Q C 2.626 178.582 176.000 -0.073 0.000 0.986 524 Q CA 0.844 56.646 55.803 -0.002 0.000 0.843 524 Q CB -0.631 28.125 28.738 0.029 0.000 0.904 524 Q HN 0.333 nan 8.270 nan 0.000 0.420 525 L N 0.205 121.335 121.223 -0.154 0.000 1.990 525 L HA -0.249 4.105 4.340 0.024 0.000 0.213 525 L C 2.504 179.258 176.870 -0.193 0.000 1.072 525 L CA 1.238 55.895 54.840 -0.306 0.000 0.755 525 L CB -0.616 41.015 42.059 -0.713 0.000 0.889 525 L HN 0.227 nan 8.230 nan 0.000 0.432 526 I N -0.266 120.254 120.570 -0.084 0.000 2.151 526 I HA -0.363 3.821 4.170 0.024 0.000 0.243 526 I C 2.583 178.775 176.117 0.125 0.000 1.080 526 I CA 1.581 62.974 61.300 0.155 0.000 1.339 526 I CB -0.369 37.780 38.000 0.248 0.000 1.039 526 I HN 0.290 nan 8.210 nan 0.000 0.409 527 K N 0.581 121.020 120.400 0.064 0.000 2.097 527 K HA -0.100 4.234 4.320 0.024 0.000 0.206 527 K C 0.804 177.426 176.600 0.036 0.000 1.049 527 K CA 0.771 57.090 56.287 0.052 0.000 0.933 527 K CB -0.084 32.432 32.500 0.027 0.000 0.717 527 K HN 0.212 nan 8.250 nan 0.000 0.442 528 K N 1.240 121.646 120.400 0.010 0.000 2.336 528 K HA -0.040 4.295 4.320 0.024 0.000 0.262 528 K C 0.888 177.512 176.600 0.039 0.000 0.992 528 K CA 0.566 56.857 56.287 0.006 0.000 0.927 528 K CB 0.533 33.018 32.500 -0.025 0.000 0.956 528 K HN 0.180 nan 8.250 nan 0.000 0.495 529 E N 0.812 121.033 120.200 0.036 0.000 2.276 529 E HA 0.007 4.371 4.350 0.024 0.000 0.193 529 E C -0.311 176.324 176.600 0.057 0.000 0.983 529 E CA 0.719 57.147 56.400 0.048 0.000 0.861 529 E CB 0.452 30.174 29.700 0.036 0.000 0.817 529 E HN 0.283 nan 8.360 nan 0.000 0.485 530 K N 0.843 121.274 120.400 0.052 0.000 2.616 530 K HA 0.347 4.681 4.320 0.024 0.000 0.255 530 K C -1.640 175.000 176.600 0.066 0.000 0.995 530 K CA -0.293 56.034 56.287 0.066 0.000 0.860 530 K CB 2.753 35.286 32.500 0.055 0.000 1.264 530 K HN -0.188 nan 8.250 nan 0.000 0.451 531 V N 2.902 122.872 119.914 0.093 0.000 2.709 531 V HA 0.416 4.550 4.120 0.024 0.000 0.308 531 V C -1.406 174.789 176.094 0.167 0.000 1.062 531 V CA -0.977 61.371 62.300 0.080 0.000 0.901 531 V CB 1.722 33.552 31.823 0.012 0.000 1.003 531 V HN 0.696 nan 8.190 nan 0.000 0.425 532 Y N 4.896 125.202 120.300 0.010 0.000 2.338 532 Y HA 0.724 5.288 4.550 0.023 0.000 0.333 532 Y C -1.113 174.793 175.900 0.010 0.000 0.968 532 Y CA -1.016 57.097 58.100 0.022 0.000 1.123 532 Y CB 1.615 40.085 38.460 0.017 0.000 1.165 532 Y HN 0.582 nan 8.280 nan 0.000 0.452 533 L N 6.241 127.138 121.223 -0.544 0.000 2.296 533 L HA 0.846 5.201 4.340 0.024 0.000 0.286 533 L C -0.427 176.058 176.870 -0.642 0.000 1.023 533 L CA -0.816 53.763 54.840 -0.435 0.000 0.812 533 L CB 1.373 43.322 42.059 -0.184 0.000 1.223 533 L HN 0.828 nan 8.230 nan 0.000 0.421 534 A N 3.332 125.900 122.820 -0.420 0.000 2.365 534 A HA 0.619 4.953 4.320 0.024 0.000 0.318 534 A C -1.877 175.694 177.584 -0.022 0.000 1.091 534 A CA -0.420 51.472 52.037 -0.241 0.000 0.763 534 A CB 1.188 20.098 19.000 -0.150 0.000 1.248 534 A HN 0.753 nan 8.150 nan 0.000 0.442 535 W N 2.582 123.812 121.300 -0.118 0.000 2.632 535 W HA 0.603 5.277 4.660 0.023 0.000 0.328 535 W C -1.027 175.467 176.519 -0.042 0.000 1.044 535 W CA -0.498 56.803 57.345 -0.073 0.000 1.225 535 W CB 1.924 31.344 29.460 -0.067 0.000 1.396 535 W HN 0.885 nan 8.180 nan 0.000 0.499 536 V N 3.540 122.853 119.914 -1.001 0.000 2.841 536 V HA 0.662 4.796 4.120 0.024 0.000 0.310 536 V C -2.733 172.460 176.094 -1.501 0.000 1.090 536 V CA -3.083 58.630 62.300 -0.980 0.000 0.930 536 V CB 1.520 33.087 31.823 -0.427 0.000 1.014 536 V HN 0.495 nan 8.190 nan 0.000 0.425 537 P HA 0.245 nan 4.420 nan 0.000 0.264 537 P C 0.023 177.064 177.300 -0.430 0.000 1.183 537 P CA 0.662 63.331 63.100 -0.718 0.000 0.763 537 P CB 0.434 31.965 31.700 -0.281 0.000 0.807 538 A N 4.402 127.046 122.820 -0.293 0.000 2.477 538 A HA 0.275 4.609 4.320 0.024 0.000 0.246 538 A C 0.134 177.536 177.584 -0.304 0.000 1.078 538 A CA 0.274 52.082 52.037 -0.383 0.000 0.770 538 A CB -0.660 18.118 19.000 -0.370 0.000 1.011 538 A HN 0.745 nan 8.150 nan 0.000 0.494 539 H N 0.000 119.039 119.070 -0.051 0.000 2.539 539 H HA 0.000 4.570 4.556 0.024 0.000 0.296 539 H CA 0.000 56.028 56.048 -0.033 0.000 1.023 539 H CB 0.000 29.753 29.762 -0.015 0.000 1.292 539 H HN 0.000 nan 8.280 nan 0.000 0.496