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 2vg5_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKXXXXXX WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FKKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLC 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 KGRQKVVPLT NTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DKSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVSAGIR 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 0.000 177.362 177.300 0.103 0.000 1.155 1 P CA 0.000 63.148 63.100 0.079 0.000 0.800 1 P CB 0.000 31.738 31.700 0.064 0.000 0.726 2 I N -0.031 120.592 120.570 0.089 0.000 2.500 2 I HA 0.349 4.518 4.170 -0.002 0.000 0.286 2 I C -0.046 176.132 176.117 0.102 0.000 1.063 2 I CA -0.691 60.672 61.300 0.105 0.000 1.062 2 I CB 1.914 39.966 38.000 0.086 0.000 1.223 2 I HN 0.256 nan 8.210 nan 0.000 0.435 3 S N 7.344 123.125 115.700 0.135 0.000 2.552 3 S HA 0.157 4.626 4.470 -0.002 0.000 0.289 3 S C -1.190 173.500 174.600 0.151 0.000 1.304 3 S CA -0.758 57.540 58.200 0.164 0.000 1.063 3 S CB 0.627 63.950 63.200 0.205 0.000 0.848 3 S HN 0.503 nan 8.310 nan 0.000 0.499 4 P HA 0.069 nan 4.420 nan 0.000 0.242 4 P C 0.502 177.933 177.300 0.218 0.000 1.197 4 P CA -0.110 63.047 63.100 0.095 0.000 0.765 4 P CB -0.258 31.407 31.700 -0.058 0.000 0.936 5 I N 0.709 121.490 120.570 0.350 0.000 2.872 5 I HA -0.064 4.105 4.170 -0.002 0.000 0.291 5 I C 0.797 177.015 176.117 0.168 0.000 1.216 5 I CA -0.154 61.334 61.300 0.314 0.000 1.424 5 I CB 0.180 38.273 38.000 0.155 0.000 1.351 5 I HN -0.099 nan 8.210 nan 0.000 0.592 6 E N 4.117 124.397 120.200 0.134 0.000 2.390 6 E HA 0.149 4.497 4.350 -0.002 0.000 0.261 6 E C -0.482 176.157 176.600 0.066 0.000 1.076 6 E CA -0.308 56.145 56.400 0.089 0.000 0.905 6 E CB 0.580 30.326 29.700 0.076 0.000 0.984 6 E HN 0.730 nan 8.360 nan 0.000 0.427 7 T N -0.579 114.012 114.554 0.062 0.000 2.899 7 T HA 0.347 4.696 4.350 -0.002 0.000 0.284 7 T C -0.040 174.690 174.700 0.050 0.000 1.004 7 T CA -1.004 61.129 62.100 0.056 0.000 1.043 7 T CB 1.253 70.159 68.868 0.064 0.000 1.013 7 T HN 0.165 nan 8.240 nan 0.000 0.518 8 V N 3.547 123.488 119.914 0.046 0.000 2.406 8 V HA 0.309 4.427 4.120 -0.002 0.000 0.272 8 V C -2.130 174.006 176.094 0.070 0.000 1.043 8 V CA -1.896 60.436 62.300 0.053 0.000 0.915 8 V CB 0.548 32.398 31.823 0.046 0.000 0.988 8 V HN 0.813 nan 8.190 nan 0.000 0.466 9 P HA 0.121 nan 4.420 nan 0.000 0.262 9 P C -0.523 176.829 177.300 0.086 0.000 1.199 9 P CA 0.376 63.525 63.100 0.081 0.000 0.763 9 P CB 0.439 32.181 31.700 0.070 0.000 0.790 10 V N 4.529 124.482 119.914 0.066 0.000 2.994 10 V HA 0.574 4.692 4.120 -0.002 0.000 0.318 10 V C 0.242 176.376 176.094 0.066 0.000 1.085 10 V CA -0.604 61.689 62.300 -0.013 0.000 0.998 10 V CB 2.119 33.715 31.823 -0.379 0.000 1.063 10 V HN 0.416 nan 8.190 nan 0.000 0.447 11 K N 1.573 121.996 120.400 0.039 0.000 2.532 11 K HA 0.590 4.908 4.320 -0.002 0.000 0.265 11 K C -1.445 175.248 176.600 0.155 0.000 0.948 11 K CA -0.831 55.549 56.287 0.156 0.000 0.842 11 K CB 2.697 35.239 32.500 0.070 0.000 1.392 11 K HN 0.399 nan 8.250 nan 0.000 0.436 12 L N 1.777 123.086 121.223 0.144 0.000 2.476 12 L HA 0.247 4.586 4.340 -0.002 0.000 0.255 12 L C 0.557 177.423 176.870 -0.007 0.000 1.218 12 L CA -0.328 54.530 54.840 0.030 0.000 0.819 12 L CB 0.224 42.196 42.059 -0.146 0.000 1.119 12 L HN 0.361 nan 8.230 nan 0.000 0.485 13 K N 1.343 121.731 120.400 -0.021 0.000 2.355 13 K HA 0.086 4.405 4.320 -0.002 0.000 0.270 13 K C -1.601 174.991 176.600 -0.014 0.000 1.003 13 K CA -1.304 54.967 56.287 -0.027 0.000 0.957 13 K CB 0.206 32.691 32.500 -0.025 0.000 0.939 13 K HN 0.282 nan 8.250 nan 0.000 0.482 14 P HA -0.242 nan 4.420 nan 0.000 0.219 14 P C 0.662 177.967 177.300 0.007 0.000 1.159 14 P CA 1.539 64.639 63.100 0.000 0.000 0.944 14 P CB -0.004 31.695 31.700 -0.002 0.000 0.792 15 G N -1.325 107.479 108.800 0.007 0.000 4.198 15 G HA2 0.520 4.479 3.960 -0.002 0.000 0.282 15 G HA3 0.520 4.479 3.960 -0.002 0.000 0.282 15 G C -0.158 174.751 174.900 0.016 0.000 1.262 15 G CA -0.121 44.988 45.100 0.014 0.000 1.473 15 G HN 0.118 nan 8.290 nan 0.000 0.624 16 M N -0.088 119.519 119.600 0.011 0.000 2.644 16 M HA 0.418 4.896 4.480 -0.002 0.000 0.273 16 M C -1.835 174.466 176.300 0.002 0.000 1.253 16 M CA -0.956 54.350 55.300 0.010 0.000 0.852 16 M CB 2.646 35.246 32.600 -0.001 0.000 1.708 16 M HN 0.085 nan 8.290 nan 0.000 0.471 17 D N -0.018 120.392 120.400 0.016 0.000 2.450 17 D HA 0.644 5.283 4.640 -0.002 0.000 0.238 17 D C -0.090 176.192 176.300 -0.030 0.000 1.020 17 D CA 0.027 54.050 54.000 0.037 0.000 1.010 17 D CB 1.963 42.854 40.800 0.151 0.000 1.342 17 D HN 0.714 nan 8.370 nan 0.000 0.530 18 G N 0.419 109.171 108.800 -0.081 0.000 2.855 18 G HA2 0.262 4.220 3.960 -0.002 0.000 0.248 18 G HA3 0.262 4.220 3.960 -0.002 0.000 0.248 18 G C -2.232 172.731 174.900 0.105 0.000 1.243 18 G CA -0.574 44.394 45.100 -0.220 0.000 0.881 18 G HN 0.460 nan 8.290 nan 0.000 0.598 19 P HA 0.364 nan 4.420 nan 0.000 0.282 19 P C -0.788 176.664 177.300 0.255 0.000 1.249 19 P CA -0.473 62.737 63.100 0.183 0.000 0.806 19 P CB 1.458 33.265 31.700 0.179 0.000 0.984 20 K N 0.779 121.288 120.400 0.181 0.000 3.209 20 K HA 0.221 4.540 4.320 -0.002 0.000 0.202 20 K C -0.386 176.259 176.600 0.075 0.000 1.109 20 K CA -0.404 55.965 56.287 0.136 0.000 0.968 20 K CB 1.196 33.760 32.500 0.108 0.000 0.732 20 K HN 0.194 nan 8.250 nan 0.000 0.450 21 V N 2.697 122.662 119.914 0.084 0.000 2.555 21 V HA 0.149 4.268 4.120 -0.002 0.000 0.286 21 V C 0.085 176.162 176.094 -0.029 0.000 1.044 21 V CA -0.450 61.877 62.300 0.044 0.000 1.026 21 V CB 0.452 32.330 31.823 0.091 0.000 0.981 21 V HN 0.311 nan 8.190 nan 0.000 0.480 22 K N 5.758 126.069 120.400 -0.148 0.000 2.219 22 K HA 0.233 4.552 4.320 -0.002 0.000 0.258 22 K C -0.296 176.073 176.600 -0.385 0.000 1.008 22 K CA -0.326 55.790 56.287 -0.286 0.000 0.928 22 K CB 0.616 32.857 32.500 -0.432 0.000 0.983 22 K HN 0.679 nan 8.250 nan 0.000 0.484 23 Q N 1.807 121.427 119.800 -0.299 0.000 2.294 23 Q HA 0.141 4.479 4.340 -0.002 0.000 0.257 23 Q C -1.244 174.609 176.000 -0.245 0.000 0.955 23 Q CA -0.084 55.613 55.803 -0.176 0.000 0.936 23 Q CB 0.541 29.253 28.738 -0.043 0.000 1.188 23 Q HN 0.554 nan 8.270 nan 0.000 0.420 24 W N 6.000 127.311 121.300 0.019 0.000 2.342 24 W HA 0.289 4.947 4.660 -0.002 0.000 0.310 24 W C -1.601 174.925 176.519 0.012 0.000 1.128 24 W CA -1.746 55.602 57.345 0.004 0.000 1.322 24 W CB 0.485 29.933 29.460 -0.020 0.000 1.251 24 W HN 0.479 nan 8.180 nan 0.000 0.439 25 P HA -0.162 nan 4.420 nan 0.000 0.263 25 P C -0.275 177.105 177.300 0.134 0.000 1.162 25 P CA 0.612 63.794 63.100 0.136 0.000 0.758 25 P CB 0.380 32.150 31.700 0.117 0.000 0.773 26 L N 1.403 122.685 121.223 0.099 0.000 2.299 26 L HA 0.499 4.837 4.340 -0.002 0.000 0.268 26 L C 1.242 178.148 176.870 0.059 0.000 1.012 26 L CA -0.518 54.375 54.840 0.089 0.000 0.816 26 L CB 0.091 42.209 42.059 0.098 0.000 1.355 26 L HN 0.338 nan 8.230 nan 0.000 0.457 27 T N -3.119 111.468 114.554 0.055 0.000 2.828 27 T HA 0.153 4.502 4.350 -0.002 0.000 0.290 27 T C 1.081 175.785 174.700 0.007 0.000 1.019 27 T CA -0.463 61.661 62.100 0.040 0.000 1.031 27 T CB 1.087 69.992 68.868 0.062 0.000 1.001 27 T HN 0.476 nan 8.240 nan 0.000 0.531 28 E N 1.091 121.295 120.200 0.007 0.000 2.065 28 E HA -0.227 4.121 4.350 -0.002 0.000 0.201 28 E C 2.232 178.799 176.600 -0.054 0.000 1.016 28 E CA 2.062 58.453 56.400 -0.013 0.000 0.818 28 E CB -0.160 29.540 29.700 0.001 0.000 0.749 28 E HN 0.936 nan 8.360 nan 0.000 0.453 29 E N 1.419 121.586 120.200 -0.055 0.000 2.072 29 E HA -0.177 4.172 4.350 -0.002 0.000 0.191 29 E C 1.815 178.187 176.600 -0.379 0.000 0.985 29 E CA 0.962 57.276 56.400 -0.142 0.000 0.801 29 E CB -0.378 29.318 29.700 -0.007 0.000 0.750 29 E HN 0.185 nan 8.360 nan 0.000 0.452 30 K N 0.598 120.804 120.400 -0.324 0.000 2.063 30 K HA -0.081 4.238 4.320 -0.002 0.000 0.208 30 K C 2.407 178.846 176.600 -0.268 0.000 1.048 30 K CA 1.509 57.555 56.287 -0.402 0.000 0.928 30 K CB -0.191 32.244 32.500 -0.108 0.000 0.713 30 K HN 0.189 nan 8.250 nan 0.000 0.442 31 I N 1.639 122.120 120.570 -0.147 0.000 2.118 31 I HA -0.320 3.848 4.170 -0.002 0.000 0.241 31 I C 2.553 178.586 176.117 -0.139 0.000 1.070 31 I CA 1.553 62.794 61.300 -0.099 0.000 1.327 31 I CB -0.774 37.193 38.000 -0.056 0.000 1.034 31 I HN 0.262 nan 8.210 nan 0.000 0.405 32 K N 1.293 121.587 120.400 -0.176 0.000 2.057 32 K HA -0.167 4.152 4.320 -0.002 0.000 0.207 32 K C 2.247 178.704 176.600 -0.239 0.000 1.049 32 K CA 1.607 57.791 56.287 -0.172 0.000 0.931 32 K CB -0.068 32.340 32.500 -0.153 0.000 0.714 32 K HN 0.264 nan 8.250 nan 0.000 0.440 33 A N 1.041 123.600 122.820 -0.435 0.000 1.902 33 A HA -0.140 4.179 4.320 -0.002 0.000 0.217 33 A C 1.980 179.417 177.584 -0.245 0.000 1.181 33 A CA 1.188 52.920 52.037 -0.508 0.000 0.623 33 A CB -0.504 17.832 19.000 -1.107 0.000 0.818 33 A HN 0.261 nan 8.150 nan 0.000 0.443 34 L N -0.312 120.794 121.223 -0.195 0.000 1.994 34 L HA -0.125 4.214 4.340 -0.002 0.000 0.208 34 L C 2.678 179.500 176.870 -0.079 0.000 1.071 34 L CA 1.485 56.271 54.840 -0.090 0.000 0.745 34 L CB -1.361 40.673 42.059 -0.042 0.000 0.892 34 L HN 0.217 nan 8.230 nan 0.000 0.431 35 V N -0.211 119.658 119.914 -0.074 0.000 2.380 35 V HA -0.309 3.810 4.120 -0.002 0.000 0.251 35 V C 2.447 178.512 176.094 -0.048 0.000 1.063 35 V CA 1.673 63.946 62.300 -0.045 0.000 1.055 35 V CB -0.610 31.191 31.823 -0.036 0.000 0.657 35 V HN 0.503 nan 8.190 nan 0.000 0.455 36 E N 0.021 120.184 120.200 -0.061 0.000 2.015 36 E HA -0.175 4.173 4.350 -0.002 0.000 0.191 36 E C 2.225 178.802 176.600 -0.037 0.000 0.991 36 E CA 1.584 57.959 56.400 -0.042 0.000 0.802 36 E CB -0.251 29.425 29.700 -0.040 0.000 0.759 36 E HN 0.526 nan 8.360 nan 0.000 0.447 37 I N 1.046 121.592 120.570 -0.040 0.000 2.208 37 I HA -0.328 3.841 4.170 -0.002 0.000 0.245 37 I C 2.486 178.557 176.117 -0.078 0.000 1.097 37 I CA 0.792 62.076 61.300 -0.026 0.000 1.363 37 I CB -0.308 37.693 38.000 0.001 0.000 1.051 37 I HN 0.259 nan 8.210 nan 0.000 0.413 38 C N 0.099 119.312 119.300 -0.145 0.000 2.440 38 C HA -0.125 4.333 4.460 -0.002 0.000 0.278 38 C C 2.996 177.845 174.990 -0.234 0.000 1.295 38 C CA 1.320 60.141 59.018 -0.329 0.000 1.738 38 C CB -1.078 26.327 27.740 -0.559 0.000 1.987 38 C HN 0.508 nan 8.230 nan 0.000 0.492 39 T N 0.334 114.833 114.554 -0.091 0.000 2.821 39 T HA -0.152 4.197 4.350 -0.002 0.000 0.267 39 T C 1.729 176.413 174.700 -0.027 0.000 1.046 39 T CA 1.635 63.722 62.100 -0.021 0.000 1.139 39 T CB -0.219 68.650 68.868 0.001 0.000 0.871 39 T HN 0.525 nan 8.240 nan 0.000 0.454 40 E N 1.366 121.547 120.200 -0.032 0.000 2.017 40 E HA -0.039 4.310 4.350 -0.002 0.000 0.193 40 E C 2.131 178.719 176.600 -0.022 0.000 0.997 40 E CA 1.379 57.771 56.400 -0.013 0.000 0.804 40 E CB -0.364 29.338 29.700 0.003 0.000 0.757 40 E HN 0.457 nan 8.360 nan 0.000 0.448 41 M N 0.177 119.746 119.600 -0.052 0.000 2.149 41 M HA -0.179 4.300 4.480 -0.002 0.000 0.261 41 M C 2.356 178.604 176.300 -0.087 0.000 1.064 41 M CA 1.741 56.992 55.300 -0.082 0.000 1.102 41 M CB -0.326 32.171 32.600 -0.171 0.000 1.369 41 M HN 0.170 nan 8.290 nan 0.000 0.408 42 E N 0.816 120.965 120.200 -0.085 0.000 2.085 42 E HA -0.253 4.096 4.350 -0.002 0.000 0.194 42 E C 2.019 178.617 176.600 -0.002 0.000 0.994 42 E CA 1.238 57.625 56.400 -0.021 0.000 0.801 42 E CB -0.027 29.709 29.700 0.059 0.000 0.743 42 E HN 0.389 nan 8.360 nan 0.000 0.453 43 K N 0.504 120.902 120.400 -0.002 0.000 2.211 43 K HA -0.161 4.158 4.320 -0.002 0.000 0.203 43 K C 1.503 178.106 176.600 0.005 0.000 1.050 43 K CA 1.325 57.614 56.287 0.004 0.000 0.945 43 K CB 0.087 32.591 32.500 0.006 0.000 0.732 43 K HN 0.156 nan 8.250 nan 0.000 0.451 44 E N -1.241 118.960 120.200 0.001 0.000 2.371 44 E HA 0.013 4.361 4.350 -0.002 0.000 0.194 44 E C 0.913 177.518 176.600 0.009 0.000 1.012 44 E CA 0.506 56.913 56.400 0.012 0.000 0.860 44 E CB 0.370 30.086 29.700 0.026 0.000 0.811 44 E HN 0.587 nan 8.360 nan 0.000 0.502 45 G N 1.243 110.038 108.800 -0.008 0.000 2.195 45 G HA2 -0.271 3.688 3.960 -0.002 0.000 0.224 45 G HA3 -0.271 3.688 3.960 -0.002 0.000 0.224 45 G C 1.016 175.896 174.900 -0.035 0.000 0.990 45 G CA 0.389 45.484 45.100 -0.007 0.000 0.639 45 G HN 0.044 nan 8.290 nan 0.000 0.514 46 K N 0.457 120.807 120.400 -0.083 0.000 2.103 46 K HA 0.149 4.468 4.320 -0.002 0.000 0.207 46 K C 1.614 178.066 176.600 -0.247 0.000 1.048 46 K CA 1.861 58.035 56.287 -0.187 0.000 0.930 46 K CB -0.238 32.057 32.500 -0.341 0.000 0.716 46 K HN 0.943 nan 8.250 nan 0.000 0.444 47 I N -5.073 115.367 120.570 -0.216 0.000 3.239 47 I HA 0.538 4.707 4.170 -0.002 0.000 0.314 47 I C -0.787 175.347 176.117 0.027 0.000 1.126 47 I CA -1.046 60.146 61.300 -0.179 0.000 0.973 47 I CB 2.633 40.435 38.000 -0.330 0.000 1.252 47 I HN -0.323 nan 8.210 nan 0.000 0.463 48 S N 0.386 116.177 115.700 0.151 0.000 2.550 48 S HA 0.441 4.910 4.470 -0.002 0.000 0.270 48 S C -1.173 173.432 174.600 0.009 0.000 1.145 48 S CA -0.986 57.279 58.200 0.108 0.000 0.852 48 S CB 2.089 65.305 63.200 0.028 0.000 1.119 48 S HN 0.505 nan 8.310 nan 0.000 0.465 49 K N 2.113 122.404 120.400 -0.181 0.000 2.234 49 K HA 0.550 4.868 4.320 -0.002 0.000 0.282 49 K C -0.329 176.136 176.600 -0.226 0.000 1.039 49 K CA -0.273 55.772 56.287 -0.404 0.000 0.928 49 K CB 0.514 32.768 32.500 -0.410 0.000 1.039 49 K HN 0.603 nan 8.250 nan 0.000 0.470 50 I N -1.426 119.007 120.570 -0.228 0.000 2.646 50 I HA 0.506 4.675 4.170 -0.002 0.000 0.299 50 I C 0.335 176.371 176.117 -0.136 0.000 1.036 50 I CA -1.149 60.069 61.300 -0.137 0.000 1.074 50 I CB 1.803 39.750 38.000 -0.088 0.000 1.258 50 I HN 0.536 nan 8.210 nan 0.000 0.430 51 G N 3.491 112.229 108.800 -0.103 0.000 2.636 51 G HA2 0.310 4.268 3.960 -0.002 0.000 0.246 51 G HA3 0.310 4.268 3.960 -0.002 0.000 0.246 51 G C -1.614 173.231 174.900 -0.091 0.000 1.216 51 G CA -1.098 43.945 45.100 -0.094 0.000 0.854 51 G HN 0.670 nan 8.290 nan 0.000 0.572 52 P HA -0.016 nan 4.420 nan 0.000 0.250 52 P C 0.645 177.892 177.300 -0.089 0.000 1.239 52 P CA 0.504 63.552 63.100 -0.087 0.000 0.756 52 P CB 0.427 32.079 31.700 -0.079 0.000 1.013 53 E N 0.962 121.111 120.200 -0.085 0.000 1.998 53 E HA -0.098 4.250 4.350 -0.002 0.000 0.196 53 E C 0.799 177.323 176.600 -0.126 0.000 1.003 53 E CA 0.682 57.026 56.400 -0.092 0.000 0.829 53 E CB -1.254 28.402 29.700 -0.074 0.000 0.777 53 E HN 0.319 nan 8.360 nan 0.000 0.460 54 N N 3.561 122.198 118.700 -0.105 0.000 2.090 54 N HA -0.106 4.633 4.740 -0.002 0.000 0.287 54 N C -1.885 173.491 175.510 -0.225 0.000 1.383 54 N CA 0.071 53.049 53.050 -0.120 0.000 0.899 54 N CB 0.314 38.803 38.487 0.005 0.000 1.251 54 N HN 0.220 nan 8.380 nan 0.000 0.492 55 P HA -0.071 nan 4.420 nan 0.000 0.242 55 P C -0.575 176.488 177.300 -0.396 0.000 1.197 55 P CA 0.763 63.592 63.100 -0.451 0.000 0.765 55 P CB 0.123 31.491 31.700 -0.553 0.000 0.936 56 Y N 0.680 120.989 120.300 0.016 0.000 2.334 56 Y HA 0.545 5.094 4.550 -0.002 0.000 0.328 56 Y C 1.065 177.005 175.900 0.067 0.000 1.130 56 Y CA -0.897 57.238 58.100 0.057 0.000 1.163 56 Y CB 0.783 39.294 38.460 0.086 0.000 1.207 56 Y HN -0.111 nan 8.280 nan 0.000 0.471 57 N N 0.453 119.298 118.700 0.242 0.000 2.446 57 N HA 0.262 5.000 4.740 -0.002 0.000 0.272 57 N C -1.848 173.780 175.510 0.197 0.000 1.127 57 N CA -0.400 52.770 53.050 0.199 0.000 0.896 57 N CB 2.240 40.792 38.487 0.109 0.000 1.658 57 N HN 0.754 nan 8.380 nan 0.000 0.483 58 T N 0.481 115.168 114.554 0.223 0.000 2.861 58 T HA 0.592 4.940 4.350 -0.002 0.000 0.287 58 T C -2.976 171.808 174.700 0.139 0.000 1.003 58 T CA -1.583 60.614 62.100 0.161 0.000 0.977 58 T CB 1.770 70.726 68.868 0.147 0.000 0.996 58 T HN 0.217 nan 8.240 nan 0.000 0.448 59 P HA 0.256 nan 4.420 nan 0.000 0.266 59 P C -0.758 176.676 177.300 0.224 0.000 1.193 59 P CA -0.365 62.837 63.100 0.171 0.000 0.770 59 P CB 0.605 32.405 31.700 0.167 0.000 0.836 60 V N 4.582 124.693 119.914 0.328 0.000 2.962 60 V HA 0.850 4.969 4.120 -0.002 0.000 0.313 60 V C -1.228 175.179 176.094 0.522 0.000 1.099 60 V CA -0.487 62.036 62.300 0.371 0.000 0.971 60 V CB 1.303 33.386 31.823 0.434 0.000 1.028 60 V HN 0.537 nan 8.190 nan 0.000 0.430 61 F N 2.924 122.928 119.950 0.089 0.000 2.779 61 F HA 0.984 5.510 4.527 -0.002 0.000 0.316 61 F C -0.645 175.215 175.800 0.100 0.000 1.164 61 F CA -0.875 57.181 58.000 0.092 0.000 0.924 61 F CB 0.968 40.024 39.000 0.093 0.000 1.348 61 F HN 0.769 nan 8.300 nan 0.000 0.467 62 A N 1.176 124.100 122.820 0.173 0.000 2.454 62 A HA 0.883 5.202 4.320 -0.002 0.000 0.302 62 A C -1.765 176.031 177.584 0.353 0.000 1.079 62 A CA -0.875 51.249 52.037 0.146 0.000 0.731 62 A CB 1.691 20.742 19.000 0.086 0.000 1.299 62 A HN 1.154 nan 8.150 nan 0.000 0.413 63 I N 0.795 121.583 120.570 0.363 0.000 2.722 63 I HA 0.492 4.661 4.170 -0.002 0.000 0.295 63 I C -0.476 175.700 176.117 0.100 0.000 1.161 63 I CA -0.628 60.841 61.300 0.282 0.000 1.032 63 I CB 1.975 40.055 38.000 0.133 0.000 1.244 63 I HN 0.882 nan 8.210 nan 0.000 0.421 72 R N 1.793 122.465 120.500 0.285 0.000 2.867 72 R HA 0.725 5.064 4.340 -0.002 0.000 0.268 72 R C -1.116 175.247 176.300 0.105 0.000 1.014 72 R CA -1.277 54.911 56.100 0.148 0.000 0.946 72 R CB 2.328 32.666 30.300 0.064 0.000 1.208 72 R HN 0.116 nan 8.270 nan 0.000 0.477 73 K N 2.780 123.209 120.400 0.048 0.000 2.263 73 K HA 0.310 4.628 4.320 -0.002 0.000 0.272 73 K C -1.197 175.331 176.600 -0.120 0.000 1.033 73 K CA -0.477 55.799 56.287 -0.018 0.000 0.884 73 K CB 0.884 33.404 32.500 0.033 0.000 1.107 73 K HN 0.627 nan 8.250 nan 0.000 0.460 74 L N 4.600 125.604 121.223 -0.365 0.000 2.287 74 L HA 0.384 4.722 4.340 -0.002 0.000 0.287 74 L C -0.513 175.953 176.870 -0.673 0.000 1.022 74 L CA -1.106 53.391 54.840 -0.572 0.000 0.814 74 L CB 1.854 43.373 42.059 -0.900 0.000 1.217 74 L HN 0.226 nan 8.230 nan 0.000 0.420 75 V N 2.188 121.886 119.914 -0.360 0.000 2.313 75 V HA 0.142 4.260 4.120 -0.002 0.000 0.278 75 V C -0.081 175.797 176.094 -0.360 0.000 1.017 75 V CA -0.681 61.383 62.300 -0.394 0.000 0.823 75 V CB 1.461 32.891 31.823 -0.655 0.000 1.010 75 V HN 0.647 nan 8.190 nan 0.000 0.443 76 D N 3.924 124.324 120.400 -0.001 0.000 2.401 76 D HA 0.095 4.733 4.640 -0.002 0.000 0.254 76 D C 0.030 176.261 176.300 -0.115 0.000 1.192 76 D CA 0.294 54.345 54.000 0.086 0.000 0.885 76 D CB 0.684 41.635 40.800 0.251 0.000 1.147 76 D HN 0.463 nan 8.370 nan 0.000 0.478 77 F N 2.611 122.664 119.950 0.173 0.000 2.698 77 F HA 0.239 4.764 4.527 -0.002 0.000 0.304 77 F C 2.052 177.960 175.800 0.181 0.000 1.108 77 F CA -0.694 57.415 58.000 0.182 0.000 1.263 77 F CB 0.439 39.575 39.000 0.227 0.000 1.013 77 F HN 0.230 nan 8.300 nan 0.000 0.532 78 R N 0.504 121.176 120.500 0.285 0.000 2.133 78 R HA -0.206 4.133 4.340 -0.002 0.000 0.245 78 R C 1.700 178.123 176.300 0.205 0.000 1.137 78 R CA 1.802 58.027 56.100 0.208 0.000 0.947 78 R CB -0.385 30.003 30.300 0.148 0.000 0.865 78 R HN 0.260 nan 8.270 nan 0.000 0.437 79 E N 0.803 121.128 120.200 0.207 0.000 2.047 79 E HA -0.151 4.198 4.350 -0.002 0.000 0.191 79 E C 2.060 178.783 176.600 0.204 0.000 0.987 79 E CA 0.734 57.241 56.400 0.178 0.000 0.799 79 E CB -0.381 29.416 29.700 0.160 0.000 0.752 79 E HN 0.140 nan 8.360 nan 0.000 0.449 80 L N 2.029 123.427 121.223 0.291 0.000 2.012 80 L HA -0.199 4.139 4.340 -0.002 0.000 0.210 80 L C 1.605 178.689 176.870 0.357 0.000 1.073 80 L CA 1.691 56.718 54.840 0.312 0.000 0.748 80 L CB -0.719 41.581 42.059 0.400 0.000 0.891 80 L HN -0.003 nan 8.230 nan 0.000 0.431 81 N N 0.451 119.365 118.700 0.357 0.000 2.000 81 N HA -0.218 4.521 4.740 -0.002 0.000 0.198 81 N C 1.666 177.255 175.510 0.133 0.000 1.057 81 N CA 1.989 55.167 53.050 0.214 0.000 0.858 81 N CB -0.482 38.100 38.487 0.158 0.000 1.057 81 N HN 0.381 nan 8.380 nan 0.000 0.423 82 K N 0.578 121.048 120.400 0.116 0.000 2.189 82 K HA -0.143 4.176 4.320 -0.002 0.000 0.207 82 K C 1.866 178.505 176.600 0.065 0.000 1.046 82 K CA 1.189 57.520 56.287 0.074 0.000 0.928 82 K CB -0.179 32.365 32.500 0.074 0.000 0.720 82 K HN 0.261 nan 8.250 nan 0.000 0.458 83 R N 0.135 120.690 120.500 0.091 0.000 2.254 83 R HA 0.058 4.397 4.340 -0.002 0.000 0.195 83 R C 1.728 178.068 176.300 0.066 0.000 0.957 83 R CA 0.332 56.467 56.100 0.058 0.000 1.024 83 R CB 0.146 30.468 30.300 0.037 0.000 0.952 83 R HN 0.142 nan 8.270 nan 0.000 0.484 84 T N 0.995 115.637 114.554 0.147 0.000 3.374 84 T HA -0.096 4.252 4.350 -0.002 0.000 0.212 84 T C 0.787 175.502 174.700 0.025 0.000 0.981 84 T CA 0.804 63.036 62.100 0.219 0.000 2.269 84 T CB 0.016 69.115 68.868 0.384 0.000 1.403 84 T HN 0.299 nan 8.240 nan 0.000 0.350 85 Q N -0.448 119.280 119.800 -0.119 0.000 2.832 85 Q HA 0.414 4.752 4.340 -0.002 0.000 0.329 85 Q C -2.346 173.400 176.000 -0.423 0.000 0.816 85 Q CA -0.956 54.672 55.803 -0.291 0.000 0.804 85 Q CB 0.884 29.370 28.738 -0.419 0.000 1.376 85 Q HN 0.192 nan 8.270 nan 0.000 0.503 86 D N 0.191 120.317 120.400 -0.456 0.000 2.185 86 D HA 0.595 5.233 4.640 -0.002 0.000 0.247 86 D C -1.244 174.739 176.300 -0.528 0.000 1.027 86 D CA -0.020 53.768 54.000 -0.353 0.000 0.861 86 D CB 1.015 41.723 40.800 -0.154 0.000 1.202 86 D HN 0.310 nan 8.370 nan 0.000 0.453 87 F N -0.055 119.852 119.950 -0.072 0.000 2.594 87 F HA 0.333 4.859 4.527 -0.002 0.000 0.335 87 F C 0.362 176.201 175.800 0.064 0.000 1.058 87 F CA -1.293 56.692 58.000 -0.024 0.000 0.981 87 F CB 0.997 39.936 39.000 -0.102 0.000 1.289 87 F HN 0.266 nan 8.300 nan 0.000 0.490 88 W N 3.407 124.790 121.300 0.139 0.000 2.417 88 W HA 0.004 4.663 4.660 -0.003 0.000 0.332 88 W C 0.051 176.602 176.519 0.054 0.000 1.413 88 W CA -0.365 57.019 57.345 0.064 0.000 1.299 88 W CB 0.508 29.996 29.460 0.047 0.000 1.304 88 W HN 0.454 nan 8.180 nan 0.000 0.565 89 E N 3.566 123.325 120.200 -0.734 0.000 2.708 89 E HA -0.104 4.245 4.350 -0.002 0.000 0.260 89 E C 0.806 176.934 176.600 -0.786 0.000 0.937 89 E CA 0.361 56.322 56.400 -0.732 0.000 0.953 89 E CB 1.438 30.699 29.700 -0.731 0.000 0.915 89 E HN 0.475 nan 8.360 nan 0.000 0.487 90 V N 3.666 123.350 119.914 -0.383 0.000 2.878 90 V HA -0.143 3.976 4.120 -0.002 0.000 0.250 90 V C 0.765 176.759 176.094 -0.167 0.000 1.075 90 V CA 1.000 63.158 62.300 -0.237 0.000 1.096 90 V CB -0.107 31.635 31.823 -0.135 0.000 0.724 90 V HN 0.523 nan 8.190 nan 0.000 0.467 91 Q N 0.260 119.956 119.800 -0.174 0.000 2.423 91 Q HA 0.402 4.740 4.340 -0.002 0.000 0.235 91 Q C 0.291 176.222 176.000 -0.116 0.000 1.100 91 Q CA 0.154 55.902 55.803 -0.093 0.000 0.908 91 Q CB 0.881 29.574 28.738 -0.075 0.000 1.312 91 Q HN 0.441 nan 8.270 nan 0.000 0.497 92 L N 0.268 121.458 121.223 -0.056 0.000 2.663 92 L HA 0.481 4.820 4.340 -0.002 0.000 0.218 92 L C 0.727 177.617 176.870 0.034 0.000 1.043 92 L CA -0.035 54.781 54.840 -0.040 0.000 0.876 92 L CB 0.967 43.010 42.059 -0.027 0.000 1.263 92 L HN 0.664 nan 8.230 nan 0.000 0.486 93 G N 0.371 109.218 108.800 0.078 0.000 2.503 93 G HA2 0.374 4.332 3.960 -0.002 0.000 0.305 93 G HA3 0.374 4.332 3.960 -0.002 0.000 0.305 93 G C -1.853 173.140 174.900 0.154 0.000 1.575 93 G CA -0.422 44.736 45.100 0.096 0.000 0.890 93 G HN -0.211 nan 8.290 nan 0.000 0.612 94 I N 3.307 123.968 120.570 0.152 0.000 2.312 94 I HA 0.359 4.527 4.170 -0.002 0.000 0.290 94 I C -1.545 174.679 176.117 0.177 0.000 1.008 94 I CA -2.770 58.667 61.300 0.228 0.000 1.226 94 I CB 1.190 39.278 38.000 0.147 0.000 1.371 94 I HN 0.304 nan 8.210 nan 0.000 0.468 95 P HA -0.014 nan 4.420 nan 0.000 0.264 95 P C -0.559 176.714 177.300 -0.045 0.000 1.179 95 P CA 0.255 63.326 63.100 -0.049 0.000 0.763 95 P CB 0.395 31.917 31.700 -0.297 0.000 0.806 96 H N 3.282 122.197 119.070 -0.259 0.000 2.502 96 H HA 0.208 4.763 4.556 -0.003 0.000 0.327 96 H C -1.435 173.551 175.328 -0.571 0.000 1.099 96 H CA -1.671 54.126 56.048 -0.419 0.000 1.323 96 H CB 1.077 30.582 29.762 -0.428 0.000 1.450 96 H HN 0.216 nan 8.280 nan 0.000 0.502 97 P HA -0.182 nan 4.420 nan 0.000 0.217 97 P C 0.753 177.718 177.300 -0.559 0.000 1.148 97 P CA 1.793 64.351 63.100 -0.903 0.000 0.828 97 P CB 0.102 30.851 31.700 -1.585 0.000 0.783 98 A N -0.522 122.074 122.820 -0.375 0.000 2.172 98 A HA 0.056 4.374 4.320 -0.002 0.000 0.216 98 A C 2.239 179.997 177.584 0.289 0.000 1.154 98 A CA 1.543 53.669 52.037 0.148 0.000 0.701 98 A CB -1.446 17.762 19.000 0.347 0.000 0.789 98 A HN 0.306 nan 8.150 nan 0.000 0.465 99 G N -0.867 107.904 108.800 -0.049 0.000 2.777 99 G HA2 0.307 4.266 3.960 -0.002 0.000 0.211 99 G HA3 0.307 4.266 3.960 -0.002 0.000 0.211 99 G C 0.526 175.492 174.900 0.110 0.000 1.149 99 G CA -0.308 44.715 45.100 -0.129 0.000 0.785 99 G HN 0.393 nan 8.290 nan 0.000 0.536 100 L N 1.001 122.288 121.223 0.106 0.000 2.416 100 L HA 0.264 4.603 4.340 -0.002 0.000 0.272 100 L C 0.133 177.044 176.870 0.068 0.000 1.161 100 L CA -0.597 54.230 54.840 -0.021 0.000 0.845 100 L CB 0.864 42.760 42.059 -0.273 0.000 1.119 100 L HN -0.083 nan 8.230 nan 0.000 0.464 101 K N 2.978 123.379 120.400 0.002 0.000 2.326 101 K HA 0.113 4.432 4.320 -0.002 0.000 0.275 101 K C -0.098 176.393 176.600 -0.182 0.000 1.018 101 K CA -0.182 56.111 56.287 0.009 0.000 0.962 101 K CB 0.525 33.033 32.500 0.015 0.000 0.953 101 K HN 0.305 nan 8.250 nan 0.000 0.475 102 K N 2.407 122.778 120.400 -0.049 0.000 2.436 102 K HA -0.006 4.312 4.320 -0.002 0.000 0.275 102 K C -0.424 176.130 176.600 -0.077 0.000 0.999 102 K CA 0.322 56.581 56.287 -0.046 0.000 0.980 102 K CB 0.462 33.051 32.500 0.149 0.000 0.919 102 K HN 0.226 nan 8.250 nan 0.000 0.484 103 K N 2.924 123.275 120.400 -0.082 0.000 2.395 103 K HA 0.188 4.507 4.320 -0.002 0.000 0.247 103 K C 0.092 176.676 176.600 -0.027 0.000 0.973 103 K CA -0.810 55.445 56.287 -0.053 0.000 0.828 103 K CB 1.623 34.082 32.500 -0.069 0.000 1.272 103 K HN 0.378 nan 8.250 nan 0.000 0.439 104 K N 0.246 120.625 120.400 -0.035 0.000 2.099 104 K HA 0.204 4.522 4.320 -0.002 0.000 0.203 104 K C 0.000 176.544 176.600 -0.094 0.000 1.047 104 K CA 1.016 57.278 56.287 -0.043 0.000 0.963 104 K CB 0.332 32.814 32.500 -0.030 0.000 0.759 104 K HN 0.437 nan 8.250 nan 0.000 0.451 105 S N -0.202 115.387 115.700 -0.184 0.000 2.532 105 S HA 0.577 5.046 4.470 -0.002 0.000 0.299 105 S C -1.410 172.994 174.600 -0.327 0.000 1.105 105 S CA -0.879 57.098 58.200 -0.372 0.000 1.018 105 S CB 2.233 64.950 63.200 -0.805 0.000 1.021 105 S HN -0.086 nan 8.310 nan 0.000 0.483 106 V N 2.272 122.115 119.914 -0.119 0.000 2.656 106 V HA 0.822 4.940 4.120 -0.002 0.000 0.307 106 V C -0.055 176.242 176.094 0.338 0.000 1.051 106 V CA -0.471 61.916 62.300 0.145 0.000 0.893 106 V CB 2.070 34.029 31.823 0.225 0.000 0.999 106 V HN 0.858 nan 8.190 nan 0.000 0.426 107 T N 2.804 117.602 114.554 0.405 0.000 2.923 107 T HA 0.614 4.962 4.350 -0.002 0.000 0.311 107 T C -1.865 172.874 174.700 0.064 0.000 1.183 107 T CA -0.369 61.925 62.100 0.323 0.000 1.020 107 T CB 1.808 70.866 68.868 0.317 0.000 1.165 107 T HN 0.791 nan 8.240 nan 0.000 0.482 108 V N 6.458 126.279 119.914 -0.156 0.000 2.487 108 V HA 0.756 4.875 4.120 -0.002 0.000 0.298 108 V C -1.397 174.526 176.094 -0.286 0.000 1.028 108 V CA -0.673 61.357 62.300 -0.449 0.000 0.860 108 V CB 1.021 32.260 31.823 -0.975 0.000 0.991 108 V HN 0.858 nan 8.190 nan 0.000 0.427 109 L N 6.829 127.898 121.223 -0.256 0.000 2.322 109 L HA 0.656 4.994 4.340 -0.002 0.000 0.281 109 L C -0.717 176.051 176.870 -0.170 0.000 1.014 109 L CA -0.726 54.018 54.840 -0.160 0.000 0.815 109 L CB 1.887 43.880 42.059 -0.109 0.000 1.247 109 L HN 0.757 nan 8.230 nan 0.000 0.421 110 D N 2.430 122.761 120.400 -0.115 0.000 2.185 110 D HA 0.348 4.987 4.640 -0.002 0.000 0.247 110 D C -0.457 175.821 176.300 -0.036 0.000 1.027 110 D CA -0.537 53.412 54.000 -0.085 0.000 0.861 110 D CB 2.253 43.005 40.800 -0.080 0.000 1.202 110 D HN 0.075 nan 8.370 nan 0.000 0.453 111 V N 1.453 121.365 119.914 -0.003 0.000 2.461 111 V HA 0.486 4.604 4.120 -0.002 0.000 0.275 111 V C 1.339 177.434 176.094 0.002 0.000 1.047 111 V CA -0.519 61.805 62.300 0.040 0.000 0.955 111 V CB 0.965 32.880 31.823 0.154 0.000 0.988 111 V HN 0.728 nan 8.190 nan 0.000 0.471 112 G N 2.563 111.367 108.800 0.006 0.000 2.442 112 G HA2 0.281 4.240 3.960 -0.002 0.000 0.249 112 G HA3 0.281 4.240 3.960 -0.002 0.000 0.249 112 G C 0.124 175.015 174.900 -0.014 0.000 1.263 112 G CA -0.303 44.786 45.100 -0.019 0.000 0.846 112 G HN 0.882 nan 8.290 nan 0.000 0.555 113 D N 0.592 120.944 120.400 -0.080 0.000 2.745 113 D HA -0.271 4.368 4.640 -0.002 0.000 0.225 113 D C 1.722 178.003 176.300 -0.032 0.000 1.212 113 D CA 0.854 54.787 54.000 -0.112 0.000 0.632 113 D CB -0.827 39.984 40.800 0.017 0.000 0.994 113 D HN 0.638 nan 8.370 nan 0.000 0.407 114 A N 0.083 122.841 122.820 -0.103 0.000 1.863 114 A HA -0.284 4.034 4.320 -0.002 0.000 0.218 114 A C 1.941 179.663 177.584 0.230 0.000 1.233 114 A CA 1.879 53.944 52.037 0.046 0.000 0.655 114 A CB -1.028 17.714 19.000 -0.429 0.000 0.839 114 A HN 0.607 nan 8.150 nan 0.000 0.454 115 Y N -1.996 118.179 120.300 -0.208 0.000 2.081 115 Y HA -0.264 4.284 4.550 -0.002 0.000 0.280 115 Y C 2.358 178.442 175.900 0.307 0.000 1.163 115 Y CA 0.889 58.990 58.100 0.003 0.000 1.135 115 Y CB -0.405 38.001 38.460 -0.091 0.000 0.970 115 Y HN 0.335 nan 8.280 nan 0.000 0.498 116 F N -0.451 119.633 119.950 0.224 0.000 2.546 116 F HA -0.134 4.391 4.527 -0.002 0.000 0.298 116 F C 2.261 178.158 175.800 0.161 0.000 1.120 116 F CA 0.586 58.696 58.000 0.182 0.000 1.456 116 F CB -1.008 38.077 39.000 0.141 0.000 1.088 116 F HN -0.097 nan 8.300 nan 0.000 0.572 117 S N -0.880 115.036 115.700 0.360 0.000 2.558 117 S HA 0.114 4.583 4.470 -0.002 0.000 0.217 117 S C 0.602 175.348 174.600 0.244 0.000 0.975 117 S CA 0.127 58.486 58.200 0.265 0.000 0.912 117 S CB 0.177 63.523 63.200 0.244 0.000 0.776 117 S HN -0.101 nan 8.310 nan 0.000 0.526 118 V N 3.225 123.303 119.914 0.273 0.000 2.495 118 V HA 0.390 4.509 4.120 -0.002 0.000 0.298 118 V C -2.620 173.575 176.094 0.168 0.000 1.031 118 V CA -2.440 59.988 62.300 0.212 0.000 0.871 118 V CB 1.648 33.615 31.823 0.240 0.000 0.988 118 V HN -0.011 nan 8.190 nan 0.000 0.432 119 P HA 0.206 nan 4.420 nan 0.000 0.269 119 P C -0.882 176.470 177.300 0.087 0.000 1.215 119 P CA -0.223 62.938 63.100 0.103 0.000 0.780 119 P CB 0.608 32.363 31.700 0.091 0.000 0.898 120 L N 1.972 123.241 121.223 0.077 0.000 2.329 120 L HA 0.469 4.808 4.340 -0.002 0.000 0.279 120 L C -0.279 176.634 176.870 0.072 0.000 1.014 120 L CA -0.851 54.022 54.840 0.055 0.000 0.814 120 L CB 1.070 43.145 42.059 0.027 0.000 1.257 120 L HN 0.189 nan 8.230 nan 0.000 0.424 121 D N 2.888 123.333 120.400 0.075 0.000 2.658 121 D HA -0.121 4.518 4.640 -0.002 0.000 0.230 121 D C 1.033 177.411 176.300 0.129 0.000 1.118 121 D CA 0.644 54.706 54.000 0.104 0.000 0.848 121 D CB 0.793 41.664 40.800 0.118 0.000 1.160 121 D HN 0.689 nan 8.370 nan 0.000 0.497 122 E N 2.905 123.163 120.200 0.097 0.000 2.070 122 E HA -0.236 4.113 4.350 -0.002 0.000 0.197 122 E C 0.669 177.315 176.600 0.078 0.000 1.004 122 E CA 1.381 57.827 56.400 0.075 0.000 0.805 122 E CB 0.044 29.776 29.700 0.054 0.000 0.744 122 E HN 0.577 nan 8.360 nan 0.000 0.451 123 D N -0.929 119.535 120.400 0.106 0.000 2.384 123 D HA -0.118 4.520 4.640 -0.002 0.000 0.222 123 D C 1.213 177.595 176.300 0.137 0.000 0.976 123 D CA 0.454 54.514 54.000 0.100 0.000 0.915 123 D CB -0.308 40.571 40.800 0.132 0.000 0.896 123 D HN 0.206 nan 8.370 nan 0.000 0.523 124 F N 0.238 120.203 119.950 0.026 0.000 2.717 124 F HA 0.218 4.744 4.527 -0.002 0.000 0.297 124 F C 1.821 177.603 175.800 -0.029 0.000 1.113 124 F CA -0.209 57.847 58.000 0.092 0.000 1.319 124 F CB 0.398 39.458 39.000 0.101 0.000 1.097 124 F HN -0.266 nan 8.300 nan 0.000 0.595 125 R N 0.993 121.518 120.500 0.041 0.000 2.127 125 R HA -0.154 4.185 4.340 -0.002 0.000 0.238 125 R C 2.256 178.504 176.300 -0.087 0.000 1.134 125 R CA 1.534 57.638 56.100 0.005 0.000 0.975 125 R CB -0.484 29.839 30.300 0.039 0.000 0.865 125 R HN 0.253 nan 8.270 nan 0.000 0.447 126 K N 0.466 120.728 120.400 -0.229 0.000 2.209 126 K HA -0.177 4.142 4.320 -0.002 0.000 0.204 126 K C 1.264 177.697 176.600 -0.278 0.000 1.048 126 K CA 1.576 57.719 56.287 -0.239 0.000 0.940 126 K CB -0.376 31.948 32.500 -0.294 0.000 0.729 126 K HN 0.285 nan 8.250 nan 0.000 0.451 127 Y N 2.703 122.768 120.300 -0.392 0.000 2.561 127 Y HA -0.028 4.521 4.550 -0.002 0.000 0.291 127 Y C 2.311 178.087 175.900 -0.207 0.000 1.141 127 Y CA 1.366 59.139 58.100 -0.545 0.000 1.303 127 Y CB -0.337 37.534 38.460 -0.982 0.000 1.015 127 Y HN 0.318 nan 8.280 nan 0.000 0.547 128 T N -2.678 111.901 114.554 0.042 0.000 3.107 128 T HA 0.389 4.738 4.350 -0.002 0.000 0.249 128 T C 1.045 176.006 174.700 0.435 0.000 1.096 128 T CA 0.116 62.360 62.100 0.240 0.000 1.012 128 T CB -0.464 68.516 68.868 0.185 0.000 0.977 128 T HN 0.198 nan 8.240 nan 0.000 0.527 129 A N 2.250 125.274 122.820 0.340 0.000 2.580 129 A HA 0.457 4.776 4.320 -0.002 0.000 0.244 129 A C 0.047 177.917 177.584 0.477 0.000 1.045 129 A CA -0.209 52.052 52.037 0.373 0.000 0.761 129 A CB -0.791 18.338 19.000 0.215 0.000 0.962 129 A HN 0.684 nan 8.150 nan 0.000 0.512 130 F N 0.124 120.171 119.950 0.162 0.000 2.629 130 F HA 0.832 5.357 4.527 -0.002 0.000 0.316 130 F C -0.067 175.800 175.800 0.113 0.000 1.081 130 F CA -1.079 56.998 58.000 0.129 0.000 0.954 130 F CB 1.007 40.083 39.000 0.127 0.000 1.337 130 F HN 0.464 nan 8.300 nan 0.000 0.474 131 T N 0.254 114.837 114.554 0.048 0.000 2.829 131 T HA 0.696 5.044 4.350 -0.002 0.000 0.280 131 T C -0.497 174.186 174.700 -0.027 0.000 0.999 131 T CA -0.465 61.596 62.100 -0.065 0.000 0.983 131 T CB 1.483 70.336 68.868 -0.025 0.000 0.968 131 T HN 0.697 nan 8.240 nan 0.000 0.446 132 I N 5.151 125.682 120.570 -0.064 0.000 2.301 132 I HA 0.268 4.436 4.170 -0.002 0.000 0.292 132 I C -1.859 174.252 176.117 -0.009 0.000 1.046 132 I CA -2.386 58.910 61.300 -0.007 0.000 1.282 132 I CB 1.245 39.247 38.000 0.004 0.000 1.409 132 I HN 0.429 nan 8.210 nan 0.000 0.484 133 P HA 0.100 nan 4.420 nan 0.000 0.275 133 P C -0.364 176.933 177.300 -0.005 0.000 1.228 133 P CA -0.325 62.778 63.100 0.004 0.000 0.786 133 P CB 0.923 32.641 31.700 0.029 0.000 0.927 134 S N 1.702 117.395 115.700 -0.012 0.000 2.634 134 S HA 0.209 4.677 4.470 -0.002 0.000 0.261 134 S C 1.661 176.258 174.600 -0.004 0.000 1.271 134 S CA -0.678 57.514 58.200 -0.014 0.000 0.985 134 S CB -0.150 63.038 63.200 -0.020 0.000 0.968 134 S HN 0.386 nan 8.310 nan 0.000 0.568 135 I N 1.453 122.020 120.570 -0.006 0.000 2.161 135 I HA -0.408 3.760 4.170 -0.002 0.000 0.246 135 I C 1.377 177.500 176.117 0.010 0.000 1.048 135 I CA 2.427 63.727 61.300 -0.000 0.000 1.314 135 I CB -0.687 37.312 38.000 -0.002 0.000 1.014 135 I HN 0.698 nan 8.210 nan 0.000 0.418 136 N N -1.461 117.246 118.700 0.011 0.000 2.262 136 N HA 0.206 4.944 4.740 -0.002 0.000 0.145 136 N C 0.236 175.756 175.510 0.016 0.000 1.399 136 N CA -0.314 52.749 53.050 0.022 0.000 1.086 136 N CB -0.065 38.436 38.487 0.023 0.000 1.203 136 N HN 0.021 nan 8.380 nan 0.000 0.365 137 N N -0.344 118.361 118.700 0.008 0.000 3.223 137 N HA 0.233 4.971 4.740 -0.002 0.000 0.350 137 N C -0.480 175.023 175.510 -0.011 0.000 1.425 137 N CA -0.151 52.894 53.050 -0.008 0.000 0.668 137 N CB 0.417 38.893 38.487 -0.018 0.000 1.435 137 N HN 0.523 nan 8.380 nan 0.000 0.569 138 E N -1.317 118.872 120.200 -0.018 0.000 3.687 138 E HA -0.144 4.205 4.350 -0.002 0.000 0.319 138 E C -1.541 175.046 176.600 -0.022 0.000 0.821 138 E CA 0.832 57.221 56.400 -0.018 0.000 1.195 138 E CB -1.652 28.042 29.700 -0.010 0.000 1.605 138 E HN 0.505 nan 8.360 nan 0.000 0.419 139 T N -0.149 114.389 114.554 -0.027 0.000 3.705 139 T HA 0.314 4.662 4.350 -0.002 0.000 0.342 139 T C -2.007 172.669 174.700 -0.040 0.000 1.043 139 T CA -0.508 61.573 62.100 -0.031 0.000 1.071 139 T CB 1.790 70.642 68.868 -0.027 0.000 1.124 139 T HN -0.210 nan 8.240 nan 0.000 0.467 140 P HA -0.094 nan 4.420 nan 0.000 0.229 140 P C 0.673 177.936 177.300 -0.061 0.000 0.791 140 P CA 2.216 65.281 63.100 -0.057 0.000 1.091 140 P CB -0.214 31.448 31.700 -0.063 0.000 0.715 141 G N -2.968 105.790 108.800 -0.069 0.000 2.453 141 G HA2 0.107 4.066 3.960 -0.002 0.000 0.665 141 G HA3 0.107 4.066 3.960 -0.002 0.000 0.665 141 G C -1.065 173.770 174.900 -0.107 0.000 1.411 141 G CA -0.816 44.241 45.100 -0.072 0.000 0.889 141 G HN 0.242 nan 8.290 nan 0.000 0.651 142 I N 2.152 122.655 120.570 -0.111 0.000 2.505 142 I HA 0.196 4.365 4.170 -0.002 0.000 0.287 142 I C 1.048 176.998 176.117 -0.278 0.000 1.104 142 I CA 0.001 61.185 61.300 -0.192 0.000 1.387 142 I CB 0.394 38.330 38.000 -0.107 0.000 1.404 142 I HN 0.350 nan 8.210 nan 0.000 0.528 143 R N 6.355 126.631 120.500 -0.373 0.000 2.308 143 R HA 0.466 4.805 4.340 -0.002 0.000 0.305 143 R C -1.287 174.672 176.300 -0.568 0.000 1.053 143 R CA -0.451 55.437 56.100 -0.353 0.000 0.957 143 R CB 1.119 31.277 30.300 -0.237 0.000 1.022 143 R HN 0.401 nan 8.270 nan 0.000 0.461 144 Y N 0.647 120.700 120.300 -0.412 0.000 2.492 144 Y HA 0.187 4.736 4.550 -0.002 0.000 0.346 144 Y C 0.077 175.932 175.900 -0.076 0.000 0.997 144 Y CA -0.815 57.058 58.100 -0.379 0.000 1.025 144 Y CB 2.298 40.315 38.460 -0.739 0.000 1.263 144 Y HN 0.492 nan 8.280 nan 0.000 0.454 145 Q N 0.980 120.918 119.800 0.230 0.000 2.433 145 Q HA 0.555 4.893 4.340 -0.002 0.000 0.279 145 Q C -1.926 174.209 176.000 0.226 0.000 1.105 145 Q CA -1.077 54.903 55.803 0.295 0.000 0.815 145 Q CB 2.221 31.053 28.738 0.156 0.000 1.403 145 Q HN 0.650 nan 8.270 nan 0.000 0.435 146 Y N 1.073 121.477 120.300 0.174 0.000 2.304 146 Y HA 0.190 4.739 4.550 -0.002 0.000 0.327 146 Y C 0.574 176.486 175.900 0.021 0.000 1.209 146 Y CA 0.358 58.497 58.100 0.066 0.000 1.299 146 Y CB 1.347 39.806 38.460 -0.002 0.000 1.249 146 Y HN 0.810 nan 8.280 nan 0.000 0.519 147 N N 0.300 119.078 118.700 0.129 0.000 2.184 147 N HA 0.182 4.921 4.740 -0.002 0.000 0.206 147 N C -1.206 174.366 175.510 0.103 0.000 1.151 147 N CA 0.003 53.106 53.050 0.088 0.000 0.878 147 N CB 0.937 39.449 38.487 0.042 0.000 1.014 147 N HN 0.328 nan 8.380 nan 0.000 0.512 148 V N -2.696 117.309 119.914 0.151 0.000 3.206 148 V HA 0.443 4.561 4.120 -0.002 0.000 0.305 148 V C -0.484 175.705 176.094 0.159 0.000 1.257 148 V CA -1.275 61.117 62.300 0.153 0.000 1.057 148 V CB 1.446 33.368 31.823 0.165 0.000 1.075 148 V HN -0.130 nan 8.190 nan 0.000 0.443 149 L N 2.543 123.866 121.223 0.166 0.000 2.698 149 L HA 0.246 4.584 4.340 -0.002 0.000 0.272 149 L C -2.090 174.886 176.870 0.177 0.000 1.154 149 L CA -0.879 54.020 54.840 0.098 0.000 0.964 149 L CB -0.256 41.809 42.059 0.010 0.000 1.272 149 L HN 0.496 nan 8.230 nan 0.000 0.483 150 P HA -0.024 nan 4.420 nan 0.000 0.271 150 P C 0.226 177.648 177.300 0.204 0.000 1.233 150 P CA -0.263 62.693 63.100 -0.240 0.000 0.789 150 P CB 0.684 31.904 31.700 -0.799 0.000 0.951 151 Q N 1.092 121.085 119.800 0.322 0.000 2.123 151 Q HA 0.003 4.342 4.340 -0.002 0.000 0.199 151 Q C 1.564 177.725 176.000 0.267 0.000 0.966 151 Q CA 2.118 58.094 55.803 0.290 0.000 0.845 151 Q CB -0.846 27.978 28.738 0.143 0.000 0.907 151 Q HN 0.641 nan 8.270 nan 0.000 0.439 152 G N -1.538 107.450 108.800 0.313 0.000 3.651 152 G HA2 0.094 4.052 3.960 -0.002 0.000 0.279 152 G HA3 0.094 4.052 3.960 -0.002 0.000 0.279 152 G C -1.074 173.996 174.900 0.283 0.000 1.024 152 G CA -0.572 44.696 45.100 0.280 0.000 0.813 152 G HN 0.232 nan 8.290 nan 0.000 0.518 153 W N 3.676 124.935 121.300 -0.069 0.000 2.338 153 W HA 0.526 5.184 4.660 -0.002 0.000 0.307 153 W C 0.796 177.204 176.519 -0.185 0.000 1.167 153 W CA -1.708 55.480 57.345 -0.261 0.000 1.208 153 W CB 0.757 29.799 29.460 -0.697 0.000 1.228 153 W HN 0.091 nan 8.180 nan 0.000 0.499 154 K N 4.659 124.624 120.400 -0.726 0.000 2.518 154 K HA 0.348 4.666 4.320 -0.002 0.000 0.276 154 K C 0.935 176.621 176.600 -1.523 0.000 0.974 154 K CA 0.809 56.621 56.287 -0.792 0.000 0.986 154 K CB 0.330 32.545 32.500 -0.475 0.000 0.901 154 K HN 1.075 nan 8.250 nan 0.000 0.497 155 G N 0.962 109.046 108.800 -1.192 0.000 2.258 155 G HA2 -0.325 3.634 3.960 -0.002 0.000 0.233 155 G HA3 -0.325 3.634 3.960 -0.002 0.000 0.233 155 G C 1.152 175.448 174.900 -1.006 0.000 1.006 155 G CA 0.374 44.409 45.100 -1.775 0.000 0.620 155 G HN 0.580 nan 8.290 nan 0.000 0.511 156 S N 1.821 117.094 115.700 -0.712 0.000 2.345 156 S HA 0.002 4.471 4.470 -0.002 0.000 0.220 156 S C 0.060 174.264 174.600 -0.661 0.000 1.031 156 S CA 1.970 59.795 58.200 -0.626 0.000 0.996 156 S CB -0.684 62.062 63.200 -0.758 0.000 0.882 156 S HN 0.510 nan 8.310 nan 0.000 0.445 157 P HA -0.009 nan 4.420 nan 0.000 0.218 157 P C 1.095 178.304 177.300 -0.152 0.000 1.148 157 P CA 1.291 64.265 63.100 -0.209 0.000 0.822 157 P CB -0.034 31.578 31.700 -0.147 0.000 0.784 158 A N -1.001 121.645 122.820 -0.290 0.000 1.871 158 A HA -0.018 4.301 4.320 -0.002 0.000 0.211 158 A C 2.134 179.611 177.584 -0.178 0.000 1.207 158 A CA 0.820 52.719 52.037 -0.230 0.000 0.620 158 A CB -1.348 17.453 19.000 -0.333 0.000 0.860 158 A HN 0.048 nan 8.150 nan 0.000 0.450 159 I N -1.267 119.135 120.570 -0.281 0.000 2.361 159 I HA -0.218 3.951 4.170 -0.002 0.000 0.251 159 I C 2.284 178.361 176.117 -0.067 0.000 1.133 159 I CA 1.311 62.512 61.300 -0.165 0.000 1.413 159 I CB -0.236 37.658 38.000 -0.177 0.000 1.073 159 I HN 0.467 nan 8.210 nan 0.000 0.424 160 F N 1.606 121.433 119.950 -0.205 0.000 2.075 160 F HA -0.289 4.236 4.527 -0.003 0.000 0.297 160 F C 2.570 178.323 175.800 -0.078 0.000 1.113 160 F CA 1.749 59.676 58.000 -0.121 0.000 1.218 160 F CB -0.267 38.665 39.000 -0.115 0.000 0.984 160 F HN -0.043 nan 8.300 nan 0.000 0.472 161 Q N 0.133 119.934 119.800 0.001 0.000 2.096 161 Q HA -0.183 4.156 4.340 -0.002 0.000 0.204 161 Q C 2.618 178.534 176.000 -0.140 0.000 0.982 161 Q CA 1.878 57.629 55.803 -0.087 0.000 0.850 161 Q CB -0.903 27.844 28.738 0.015 0.000 0.901 161 Q HN 0.464 nan 8.270 nan 0.000 0.422 162 S N -0.848 114.795 115.700 -0.095 0.000 2.348 162 S HA -0.159 4.309 4.470 -0.002 0.000 0.221 162 S C 1.998 176.510 174.600 -0.148 0.000 1.033 162 S CA 1.542 59.693 58.200 -0.082 0.000 1.010 162 S CB -0.314 62.862 63.200 -0.040 0.000 0.891 162 S HN 0.436 nan 8.310 nan 0.000 0.442 163 S N 1.395 116.984 115.700 -0.184 0.000 2.365 163 S HA -0.174 4.295 4.470 -0.002 0.000 0.225 163 S C 1.877 176.289 174.600 -0.313 0.000 1.039 163 S CA 1.862 59.932 58.200 -0.217 0.000 1.033 163 S CB -0.551 62.538 63.200 -0.186 0.000 0.887 163 S HN 0.621 nan 8.310 nan 0.000 0.447 164 M N 1.837 121.175 119.600 -0.437 0.000 2.117 164 M HA -0.090 4.389 4.480 -0.002 0.000 0.262 164 M C 2.027 178.154 176.300 -0.288 0.000 1.065 164 M CA 1.625 56.663 55.300 -0.436 0.000 1.114 164 M CB -1.207 31.039 32.600 -0.591 0.000 1.361 164 M HN 0.172 nan 8.290 nan 0.000 0.408 165 T N 0.565 114.985 114.554 -0.224 0.000 2.622 165 T HA -0.174 4.174 4.350 -0.002 0.000 0.266 165 T C 1.786 176.387 174.700 -0.164 0.000 1.047 165 T CA 2.001 64.011 62.100 -0.150 0.000 1.159 165 T CB -0.228 68.585 68.868 -0.092 0.000 0.863 165 T HN 0.408 nan 8.240 nan 0.000 0.422 166 K N 0.340 120.630 120.400 -0.183 0.000 2.152 166 K HA -0.012 4.307 4.320 -0.002 0.000 0.206 166 K C 2.127 178.526 176.600 -0.335 0.000 1.048 166 K CA 1.049 57.214 56.287 -0.204 0.000 0.933 166 K CB -0.264 32.126 32.500 -0.183 0.000 0.721 166 K HN 0.373 nan 8.250 nan 0.000 0.447 167 I N 0.086 120.389 120.570 -0.444 0.000 2.286 167 I HA -0.237 3.932 4.170 -0.002 0.000 0.245 167 I C 1.876 177.817 176.117 -0.293 0.000 1.104 167 I CA 0.649 61.543 61.300 -0.677 0.000 1.397 167 I CB -0.050 37.569 38.000 -0.636 0.000 1.072 167 I HN 0.099 nan 8.210 nan 0.000 0.417 168 L N 0.923 122.039 121.223 -0.178 0.000 2.217 168 L HA -0.146 4.193 4.340 -0.002 0.000 0.211 168 L C 2.230 179.085 176.870 -0.024 0.000 1.107 168 L CA 1.492 56.282 54.840 -0.082 0.000 0.783 168 L CB -0.843 41.154 42.059 -0.104 0.000 0.919 168 L HN 0.220 nan 8.230 nan 0.000 0.442 169 E N 0.154 120.323 120.200 -0.051 0.000 2.063 169 E HA -0.265 4.084 4.350 -0.002 0.000 0.221 169 E C -0.582 176.038 176.600 0.033 0.000 1.052 169 E CA 2.587 58.978 56.400 -0.015 0.000 0.891 169 E CB -1.130 28.547 29.700 -0.039 0.000 0.792 169 E HN 0.249 nan 8.360 nan 0.000 0.482 170 P HA -0.182 nan 4.420 nan 0.000 0.215 170 P C 1.282 178.621 177.300 0.066 0.000 1.163 170 P CA 1.655 64.821 63.100 0.110 0.000 0.894 170 P CB -0.311 31.538 31.700 0.248 0.000 0.791 171 F N 0.959 120.806 119.950 -0.172 0.000 2.065 171 F HA -0.273 4.252 4.527 -0.004 0.000 0.298 171 F C 2.137 177.843 175.800 -0.157 0.000 1.112 171 F CA 1.874 59.686 58.000 -0.313 0.000 1.212 171 F CB -0.491 38.089 39.000 -0.700 0.000 0.975 171 F HN -0.232 nan 8.300 nan 0.000 0.476 172 K N 0.252 120.753 120.400 0.169 0.000 2.044 172 K HA -0.299 4.020 4.320 -0.002 0.000 0.210 172 K C 2.245 178.831 176.600 -0.023 0.000 1.049 172 K CA 2.059 58.400 56.287 0.091 0.000 0.927 172 K CB -0.377 32.172 32.500 0.081 0.000 0.713 172 K HN 0.279 nan 8.250 nan 0.000 0.443 173 K N 0.937 121.324 120.400 -0.022 0.000 2.032 173 K HA -0.220 4.098 4.320 -0.002 0.000 0.209 173 K C 2.046 178.600 176.600 -0.077 0.000 1.048 173 K CA 1.493 57.761 56.287 -0.032 0.000 0.927 173 K CB 0.038 32.532 32.500 -0.009 0.000 0.712 173 K HN 0.081 nan 8.250 nan 0.000 0.441 174 Q N 0.343 120.061 119.800 -0.137 0.000 2.444 174 Q HA -0.007 4.332 4.340 -0.002 0.000 0.206 174 Q C -0.568 175.275 176.000 -0.262 0.000 0.948 174 Q CA 0.529 56.223 55.803 -0.181 0.000 0.946 174 Q CB 0.358 28.980 28.738 -0.194 0.000 1.027 174 Q HN 0.340 nan 8.270 nan 0.000 0.513 175 N N -0.027 118.511 118.700 -0.269 0.000 2.666 175 N HA 0.144 4.882 4.740 -0.002 0.000 0.253 175 N C -2.457 172.991 175.510 -0.103 0.000 1.621 175 N CA -0.741 52.158 53.050 -0.252 0.000 0.785 175 N CB 1.527 39.708 38.487 -0.509 0.000 1.332 175 N HN 0.017 nan 8.380 nan 0.000 0.514 176 P HA -0.046 nan 4.420 nan 0.000 0.218 176 P C 0.702 178.004 177.300 0.003 0.000 1.149 176 P CA 1.125 64.214 63.100 -0.018 0.000 0.817 176 P CB 0.429 32.118 31.700 -0.017 0.000 0.785 177 D N -1.076 119.323 120.400 -0.002 0.000 2.348 177 D HA 0.000 4.639 4.640 -0.002 0.000 0.216 177 D C 0.873 177.196 176.300 0.038 0.000 0.970 177 D CA 0.571 54.579 54.000 0.015 0.000 0.889 177 D CB -0.134 40.672 40.800 0.010 0.000 0.912 177 D HN 0.232 nan 8.370 nan 0.000 0.524 178 I N 0.927 121.529 120.570 0.053 0.000 2.440 178 I HA 0.104 4.273 4.170 -0.002 0.000 0.294 178 I C -0.141 176.038 176.117 0.102 0.000 0.995 178 I CA -0.535 60.826 61.300 0.101 0.000 1.306 178 I CB 2.121 40.218 38.000 0.162 0.000 1.407 178 I HN -0.354 nan 8.210 nan 0.000 0.501 179 V N 7.943 127.918 119.914 0.101 0.000 2.398 179 V HA 0.457 4.575 4.120 -0.002 0.000 0.286 179 V C -0.081 176.075 176.094 0.104 0.000 1.026 179 V CA -0.370 61.981 62.300 0.085 0.000 0.868 179 V CB 1.790 33.642 31.823 0.049 0.000 0.982 179 V HN 0.419 nan 8.190 nan 0.000 0.443 180 I N 5.830 126.461 120.570 0.101 0.000 2.478 180 I HA 0.376 4.545 4.170 -0.002 0.000 0.287 180 I C -1.517 174.685 176.117 0.141 0.000 1.042 180 I CA -0.749 60.610 61.300 0.097 0.000 1.067 180 I CB 1.900 39.922 38.000 0.037 0.000 1.233 180 I HN 0.609 nan 8.210 nan 0.000 0.431 181 Y N 6.885 127.200 120.300 0.026 0.000 2.328 181 Y HA 0.408 4.956 4.550 -0.002 0.000 0.336 181 Y C -0.532 175.425 175.900 0.095 0.000 0.960 181 Y CA -0.738 57.374 58.100 0.019 0.000 1.134 181 Y CB 1.310 39.721 38.460 -0.083 0.000 1.166 181 Y HN 0.550 nan 8.280 nan 0.000 0.464 182 Q N 5.328 124.869 119.800 -0.431 0.000 2.274 182 Q HA 0.331 4.669 4.340 -0.002 0.000 0.256 182 Q C -1.905 173.793 176.000 -0.502 0.000 0.927 182 Q CA -0.818 54.782 55.803 -0.339 0.000 0.939 182 Q CB 1.902 30.537 28.738 -0.172 0.000 1.201 182 Q HN 0.773 nan 8.270 nan 0.000 0.426 183 Y N 4.853 124.970 120.300 -0.306 0.000 2.400 183 Y HA 0.347 4.896 4.550 -0.002 0.000 0.335 183 Y C -0.353 175.606 175.900 0.099 0.000 1.066 183 Y CA -0.645 57.416 58.100 -0.065 0.000 1.285 183 Y CB 0.634 39.213 38.460 0.199 0.000 1.103 183 Y HN 1.034 nan 8.280 nan 0.000 0.490 184 M N 1.372 120.819 119.600 -0.255 0.000 7.319 184 M HA -0.389 4.090 4.480 -0.002 0.000 0.104 184 M C 0.488 176.761 176.300 -0.045 0.000 0.480 184 M CA 1.899 57.066 55.300 -0.221 0.000 1.311 184 M CB -0.604 31.718 32.600 -0.463 0.000 0.421 184 M HN 0.610 nan 8.290 nan 0.000 0.175 185 D N 1.202 121.514 120.400 -0.147 0.000 2.417 185 D HA -0.017 4.621 4.640 -0.002 0.000 0.225 185 D C -0.310 175.974 176.300 -0.026 0.000 0.983 185 D CA 1.111 55.047 54.000 -0.106 0.000 0.949 185 D CB -0.372 40.319 40.800 -0.182 0.000 0.879 185 D HN 0.258 nan 8.370 nan 0.000 0.520 186 D N -0.523 119.875 120.400 -0.004 0.000 2.269 186 D HA 0.416 5.055 4.640 -0.002 0.000 0.244 186 D C 0.026 176.274 176.300 -0.086 0.000 0.992 186 D CA -0.480 53.473 54.000 -0.078 0.000 0.894 186 D CB 1.867 42.609 40.800 -0.096 0.000 1.248 186 D HN -0.087 nan 8.370 nan 0.000 0.468 187 L N 1.817 122.919 121.223 -0.202 0.000 2.381 187 L HA 0.365 4.703 4.340 -0.002 0.000 0.274 187 L C -1.100 175.602 176.870 -0.279 0.000 0.988 187 L CA -0.906 53.842 54.840 -0.153 0.000 0.824 187 L CB 1.249 43.238 42.059 -0.117 0.000 1.263 187 L HN 0.250 nan 8.230 nan 0.000 0.410 188 Y N 2.564 122.830 120.300 -0.057 0.000 2.328 188 Y HA 0.504 5.052 4.550 -0.004 0.000 0.337 188 Y C 0.014 175.917 175.900 0.005 0.000 1.008 188 Y CA -0.659 57.405 58.100 -0.061 0.000 1.129 188 Y CB 1.824 40.256 38.460 -0.048 0.000 1.185 188 Y HN 0.141 nan 8.280 nan 0.000 0.476 189 V N 3.288 123.291 119.914 0.148 0.000 2.483 189 V HA 0.784 4.903 4.120 -0.002 0.000 0.297 189 V C 0.151 176.385 176.094 0.233 0.000 1.027 189 V CA -0.736 61.656 62.300 0.154 0.000 0.855 189 V CB 1.462 33.337 31.823 0.087 0.000 0.995 189 V HN 0.927 nan 8.190 nan 0.000 0.424 190 G N 2.757 111.672 108.800 0.191 0.000 2.537 190 G HA2 0.910 4.869 3.960 -0.002 0.000 0.308 190 G HA3 0.910 4.869 3.960 -0.002 0.000 0.308 190 G C -0.685 174.309 174.900 0.158 0.000 1.237 190 G CA -0.159 45.035 45.100 0.158 0.000 0.968 190 G HN 1.118 nan 8.290 nan 0.000 0.481 191 S N -1.096 114.664 115.700 0.100 0.000 2.643 191 S HA 0.374 4.842 4.470 -0.002 0.000 0.266 191 S C -1.574 173.049 174.600 0.037 0.000 1.130 191 S CA -0.813 57.449 58.200 0.105 0.000 0.817 191 S CB 1.808 65.143 63.200 0.224 0.000 1.107 191 S HN 0.325 nan 8.310 nan 0.000 0.471 192 D N 1.017 121.442 120.400 0.042 0.000 2.738 192 D HA 0.417 5.055 4.640 -0.002 0.000 0.246 192 D C -0.201 176.115 176.300 0.028 0.000 1.270 192 D CA 0.058 54.069 54.000 0.018 0.000 0.833 192 D CB -0.111 40.698 40.800 0.014 0.000 1.040 192 D HN 0.403 nan 8.370 nan 0.000 0.487 193 L N 0.661 121.913 121.223 0.048 0.000 2.332 193 L HA 0.340 4.678 4.340 -0.002 0.000 0.269 193 L C 0.873 177.767 176.870 0.040 0.000 1.016 193 L CA -1.118 53.761 54.840 0.066 0.000 0.809 193 L CB 1.137 43.275 42.059 0.131 0.000 1.280 193 L HN -0.091 nan 8.230 nan 0.000 0.447 194 E N 1.148 121.377 120.200 0.048 0.000 2.319 194 E HA 0.188 4.536 4.350 -0.002 0.000 0.268 194 E C 1.019 177.657 176.600 0.062 0.000 1.050 194 E CA -0.517 55.904 56.400 0.035 0.000 0.878 194 E CB 1.340 31.058 29.700 0.030 0.000 1.066 194 E HN 0.551 nan 8.360 nan 0.000 0.406 195 I N 0.621 121.217 120.570 0.044 0.000 2.121 195 I HA -0.273 3.896 4.170 -0.002 0.000 0.243 195 I C 1.413 177.597 176.117 0.111 0.000 1.047 195 I CA 2.039 63.381 61.300 0.069 0.000 1.308 195 I CB -1.025 37.004 38.000 0.048 0.000 1.015 195 I HN 0.541 nan 8.210 nan 0.000 0.410 196 G N -0.323 108.524 108.800 0.079 0.000 2.349 196 G HA2 0.360 4.318 3.960 -0.002 0.000 0.281 196 G HA3 0.360 4.318 3.960 -0.002 0.000 0.281 196 G C 0.217 175.165 174.900 0.080 0.000 1.182 196 G CA 0.364 45.508 45.100 0.075 0.000 0.899 196 G HN 0.462 nan 8.290 nan 0.000 0.455 197 Q N 0.928 120.778 119.800 0.083 0.000 7.101 197 Q HA -0.226 4.113 4.340 -0.002 0.000 0.334 197 Q C 1.139 177.202 176.000 0.105 0.000 0.950 197 Q CA 1.853 57.702 55.803 0.077 0.000 0.658 197 Q CB -1.662 27.118 28.738 0.070 0.000 0.356 197 Q HN 0.828 nan 8.270 nan 0.000 0.964 198 H N 0.288 119.386 119.070 0.046 0.000 2.431 198 H HA 0.318 4.874 4.556 -0.000 0.000 0.295 198 H C 1.681 177.046 175.328 0.062 0.000 1.038 198 H CA 1.508 57.590 56.048 0.057 0.000 1.360 198 H CB 0.195 29.991 29.762 0.055 0.000 1.433 198 H HN 0.298 nan 8.280 nan 0.000 0.536 199 R N -0.410 120.135 120.500 0.076 0.000 2.120 199 R HA -0.081 4.257 4.340 -0.002 0.000 0.234 199 R C 1.985 178.277 176.300 -0.014 0.000 1.123 199 R CA 1.690 57.802 56.100 0.021 0.000 0.975 199 R CB -0.249 30.098 30.300 0.078 0.000 0.866 199 R HN 0.333 nan 8.270 nan 0.000 0.446 200 T N 0.988 115.548 114.554 0.010 0.000 2.737 200 T HA -0.126 4.223 4.350 -0.002 0.000 0.265 200 T C 1.713 176.419 174.700 0.011 0.000 1.038 200 T CA 1.284 63.394 62.100 0.017 0.000 1.144 200 T CB -0.072 68.814 68.868 0.030 0.000 0.866 200 T HN 0.057 nan 8.240 nan 0.000 0.434 201 K N 0.854 121.246 120.400 -0.014 0.000 2.211 201 K HA 0.159 4.478 4.320 -0.002 0.000 0.203 201 K C 1.926 178.540 176.600 0.023 0.000 1.050 201 K CA 0.846 57.146 56.287 0.022 0.000 0.945 201 K CB -0.433 32.073 32.500 0.010 0.000 0.732 201 K HN 0.354 nan 8.250 nan 0.000 0.451 202 I N 0.312 120.809 120.570 -0.121 0.000 2.406 202 I HA -0.168 4.000 4.170 -0.002 0.000 0.249 202 I C 1.858 177.953 176.117 -0.037 0.000 1.122 202 I CA 0.744 61.970 61.300 -0.122 0.000 1.431 202 I CB -0.053 37.831 38.000 -0.193 0.000 1.087 202 I HN 0.160 nan 8.210 nan 0.000 0.424 203 E N 0.657 120.854 120.200 -0.005 0.000 2.106 203 E HA -0.273 4.076 4.350 -0.002 0.000 0.192 203 E C 1.902 178.542 176.600 0.066 0.000 0.984 203 E CA 1.059 57.474 56.400 0.026 0.000 0.806 203 E CB -0.158 29.559 29.700 0.030 0.000 0.750 203 E HN 0.507 nan 8.360 nan 0.000 0.458 204 E N 0.243 120.504 120.200 0.102 0.000 2.204 204 E HA -0.180 4.169 4.350 -0.002 0.000 0.195 204 E C 2.023 178.793 176.600 0.283 0.000 0.990 204 E CA 0.545 57.058 56.400 0.189 0.000 0.821 204 E CB 0.045 29.864 29.700 0.198 0.000 0.750 204 E HN 0.071 nan 8.360 nan 0.000 0.477 205 L N 0.644 121.950 121.223 0.139 0.000 2.084 205 L HA 0.021 4.360 4.340 -0.002 0.000 0.202 205 L C 2.260 179.105 176.870 -0.041 0.000 1.074 205 L CA 1.325 56.069 54.840 -0.160 0.000 0.757 205 L CB -0.294 41.502 42.059 -0.438 0.000 0.918 205 L HN -0.067 nan 8.230 nan 0.000 0.444 206 R N -0.728 119.761 120.500 -0.019 0.000 2.113 206 R HA -0.257 4.081 4.340 -0.002 0.000 0.244 206 R C 2.319 178.653 176.300 0.056 0.000 1.142 206 R CA 1.852 57.958 56.100 0.010 0.000 0.953 206 R CB -0.552 29.753 30.300 0.008 0.000 0.860 206 R HN 0.382 nan 8.270 nan 0.000 0.438 207 Q N 0.002 119.850 119.800 0.081 0.000 2.050 207 Q HA -0.203 4.136 4.340 -0.002 0.000 0.202 207 Q C 2.024 178.102 176.000 0.130 0.000 0.980 207 Q CA 1.748 57.606 55.803 0.092 0.000 0.840 207 Q CB -0.554 28.241 28.738 0.095 0.000 0.898 207 Q HN 0.468 nan 8.270 nan 0.000 0.424 208 H N -0.641 118.494 119.070 0.108 0.000 2.353 208 H HA -0.150 4.406 4.556 -0.002 0.000 0.298 208 H C 1.629 177.078 175.328 0.202 0.000 1.103 208 H CA 1.726 57.882 56.048 0.180 0.000 1.293 208 H CB -0.011 29.901 29.762 0.249 0.000 1.372 208 H HN 0.273 nan 8.280 nan 0.000 0.501 209 L N 0.631 121.972 121.223 0.197 0.000 2.156 209 L HA -0.106 4.233 4.340 -0.002 0.000 0.208 209 L C 2.580 179.515 176.870 0.108 0.000 1.095 209 L CA 0.810 55.737 54.840 0.145 0.000 0.770 209 L CB -0.908 41.195 42.059 0.074 0.000 0.914 209 L HN 0.263 nan 8.230 nan 0.000 0.439 210 L N -0.616 120.647 121.223 0.068 0.000 2.156 210 L HA -0.105 4.234 4.340 -0.002 0.000 0.208 210 L C 2.532 179.402 176.870 -0.000 0.000 1.095 210 L CA 1.436 56.301 54.840 0.041 0.000 0.770 210 L CB -0.638 41.437 42.059 0.027 0.000 0.914 210 L HN 0.189 nan 8.230 nan 0.000 0.439 211 R N -1.875 118.595 120.500 -0.049 0.000 2.261 211 R HA -0.211 4.128 4.340 -0.002 0.000 0.236 211 R C 1.092 177.183 176.300 -0.349 0.000 1.141 211 R CA 1.797 57.772 56.100 -0.209 0.000 1.001 211 R CB -0.348 29.784 30.300 -0.279 0.000 0.866 211 R HN 0.457 nan 8.270 nan 0.000 0.468 212 W N -1.193 120.036 121.300 -0.119 0.000 3.005 212 W HA 0.265 4.923 4.660 -0.003 0.000 0.374 212 W C 0.976 177.471 176.519 -0.040 0.000 1.076 212 W CA 0.427 57.716 57.345 -0.092 0.000 1.794 212 W CB 1.082 30.466 29.460 -0.128 0.000 1.113 212 W HN 0.202 nan 8.180 nan 0.000 0.584 213 G N 0.127 109.005 108.800 0.130 0.000 2.179 213 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.220 213 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.220 213 G C -0.376 174.593 174.900 0.115 0.000 0.990 213 G CA -0.503 44.661 45.100 0.107 0.000 0.646 213 G HN -0.026 nan 8.290 nan 0.000 0.517 214 L N 2.572 123.865 121.223 0.117 0.000 2.265 214 L HA 0.577 4.916 4.340 -0.002 0.000 0.289 214 L C 1.059 177.971 176.870 0.071 0.000 1.033 214 L CA 0.064 54.965 54.840 0.101 0.000 0.814 214 L CB 0.420 42.535 42.059 0.094 0.000 1.203 214 L HN 0.425 nan 8.230 nan 0.000 0.423 215 T N 0.158 114.749 114.554 0.062 0.000 2.909 215 T HA 0.726 5.075 4.350 -0.002 0.000 0.286 215 T C 0.287 175.005 174.700 0.029 0.000 1.002 215 T CA -0.425 61.699 62.100 0.041 0.000 1.074 215 T CB 1.666 70.556 68.868 0.036 0.000 0.984 215 T HN 0.694 nan 8.240 nan 0.000 0.495 216 T N -0.176 114.389 114.554 0.018 0.000 2.883 216 T HA 0.722 5.070 4.350 -0.002 0.000 0.296 216 T C -3.047 171.660 174.700 0.011 0.000 1.117 216 T CA -1.778 60.326 62.100 0.006 0.000 1.006 216 T CB 1.287 70.151 68.868 -0.007 0.000 1.191 216 T HN 0.614 nan 8.240 nan 0.000 0.508 217 P HA 0.268 nan 4.420 nan 0.000 0.271 217 P C -0.836 176.486 177.300 0.037 0.000 1.218 217 P CA -0.182 62.938 63.100 0.033 0.000 0.780 217 P CB 0.449 32.182 31.700 0.055 0.000 0.901 218 D N 1.339 121.769 120.400 0.050 0.000 2.348 218 D HA 0.073 4.712 4.640 -0.002 0.000 0.249 218 D C 1.139 177.474 176.300 0.058 0.000 1.110 218 D CA -0.632 53.396 54.000 0.046 0.000 0.967 218 D CB 0.807 41.633 40.800 0.042 0.000 1.139 218 D HN 0.125 nan 8.370 nan 0.000 0.466 219 K N 1.562 121.991 120.400 0.047 0.000 2.090 219 K HA -0.346 3.973 4.320 -0.002 0.000 0.218 219 K C 1.478 178.113 176.600 0.057 0.000 1.055 219 K CA 2.314 58.631 56.287 0.050 0.000 0.941 219 K CB -0.347 32.181 32.500 0.046 0.000 0.722 219 K HN 0.492 nan 8.250 nan 0.000 0.458 220 K N -1.174 119.265 120.400 0.066 0.000 2.013 220 K HA -0.251 4.068 4.320 -0.002 0.000 0.225 220 K C 1.817 178.474 176.600 0.096 0.000 1.056 220 K CA 2.312 58.649 56.287 0.083 0.000 0.971 220 K CB -0.423 32.137 32.500 0.100 0.000 0.731 220 K HN 0.441 nan 8.250 nan 0.000 0.450 221 H N 0.280 119.363 119.070 0.021 0.000 2.507 221 H HA 0.112 4.668 4.556 -0.001 0.000 0.294 221 H C 0.698 176.037 175.328 0.019 0.000 1.064 221 H CA -0.266 55.794 56.048 0.020 0.000 1.138 221 H CB 0.328 30.098 29.762 0.014 0.000 1.515 221 H HN 0.170 nan 8.280 nan 0.000 0.547 222 Q N 1.256 121.085 119.800 0.049 0.000 2.312 222 Q HA 0.016 4.355 4.340 -0.002 0.000 0.658 222 Q C -0.378 175.623 176.000 0.002 0.000 1.079 222 Q CA 0.967 56.788 55.803 0.030 0.000 1.062 222 Q CB 0.376 29.139 28.738 0.042 0.000 2.367 222 Q HN 0.321 nan 8.270 nan 0.000 0.468 223 K N -0.835 119.586 120.400 0.036 0.000 2.600 223 K HA 0.196 4.515 4.320 -0.002 0.000 0.262 223 K C -1.836 174.883 176.600 0.199 0.000 0.935 223 K CA -0.200 56.130 56.287 0.072 0.000 0.866 223 K CB 1.003 33.530 32.500 0.045 0.000 1.354 223 K HN 0.514 nan 8.250 nan 0.000 0.419 224 E N 3.374 123.703 120.200 0.214 0.000 2.263 224 E HA 0.464 4.812 4.350 -0.002 0.000 0.264 224 E C -2.468 174.228 176.600 0.159 0.000 0.923 224 E CA -2.236 54.297 56.400 0.222 0.000 0.802 224 E CB 1.507 31.259 29.700 0.087 0.000 1.228 224 E HN 0.352 nan 8.360 nan 0.000 0.417 225 P HA 0.051 nan 4.420 nan 0.000 0.268 225 P C -2.346 174.744 177.300 -0.349 0.000 1.208 225 P CA -0.831 61.859 63.100 -0.685 0.000 0.777 225 P CB -0.350 30.945 31.700 -0.675 0.000 0.875 226 P HA 0.312 nan 4.420 nan 0.000 0.276 226 P C -0.939 176.193 177.300 -0.281 0.000 1.261 226 P CA -0.028 62.667 63.100 -0.675 0.000 0.800 226 P CB 0.423 31.701 31.700 -0.704 0.000 1.066 227 F N -0.723 119.252 119.950 0.042 0.000 2.492 227 F HA 0.346 4.872 4.527 -0.000 0.000 0.327 227 F C 0.053 175.995 175.800 0.237 0.000 1.079 227 F CA -1.229 56.881 58.000 0.182 0.000 0.967 227 F CB 0.740 39.912 39.000 0.287 0.000 1.169 227 F HN -0.082 nan 8.300 nan 0.000 0.472 228 L N 2.853 124.358 121.223 0.469 0.000 2.297 228 L HA 0.271 4.609 4.340 -0.002 0.000 0.277 228 L C -1.118 176.013 176.870 0.435 0.000 1.040 228 L CA -0.684 54.382 54.840 0.377 0.000 0.867 228 L CB 0.157 42.370 42.059 0.256 0.000 1.244 228 L HN 0.631 nan 8.230 nan 0.000 0.433 229 W N 5.457 126.902 121.300 0.243 0.000 2.656 229 W HA 0.531 5.190 4.660 -0.001 0.000 0.327 229 W C 0.225 176.844 176.519 0.166 0.000 1.041 229 W CA -1.010 56.432 57.345 0.161 0.000 1.229 229 W CB 1.229 30.710 29.460 0.035 0.000 1.397 229 W HN 0.363 nan 8.180 nan 0.000 0.479 230 M N 5.951 125.207 119.600 -0.574 0.000 2.173 230 M HA -0.248 4.230 4.480 -0.002 0.000 0.197 230 M C 1.147 177.191 176.300 -0.427 0.000 0.296 230 M CA 1.941 56.846 55.300 -0.659 0.000 0.385 230 M CB -2.254 29.636 32.600 -1.183 0.000 1.141 230 M HN 1.334 nan 8.290 nan 0.000 0.938 231 G N -1.874 106.785 108.800 -0.234 0.000 2.176 231 G HA2 -0.297 3.662 3.960 -0.002 0.000 0.253 231 G HA3 -0.297 3.662 3.960 -0.002 0.000 0.253 231 G C -0.231 174.723 174.900 0.090 0.000 0.979 231 G CA 0.399 45.392 45.100 -0.180 0.000 0.641 231 G HN 0.575 nan 8.290 nan 0.000 0.530 232 Y N 0.120 120.620 120.300 0.332 0.000 2.488 232 Y HA 0.704 5.253 4.550 -0.002 0.000 0.325 232 Y C 0.689 176.807 175.900 0.363 0.000 1.204 232 Y CA -1.048 57.282 58.100 0.383 0.000 1.229 232 Y CB 1.126 39.783 38.460 0.328 0.000 1.274 232 Y HN 0.094 nan 8.280 nan 0.000 0.493 233 E N 1.843 122.391 120.200 0.580 0.000 2.182 233 E HA 0.425 4.774 4.350 -0.002 0.000 0.258 233 E C -1.783 175.106 176.600 0.480 0.000 0.879 233 E CA -0.398 56.273 56.400 0.451 0.000 0.754 233 E CB 0.664 30.607 29.700 0.405 0.000 1.162 233 E HN 0.537 nan 8.360 nan 0.000 0.419 234 L N 5.437 126.871 121.223 0.353 0.000 2.277 234 L HA 0.409 4.748 4.340 -0.002 0.000 0.284 234 L C 0.176 177.067 176.870 0.035 0.000 1.028 234 L CA -0.643 54.390 54.840 0.322 0.000 0.835 234 L CB 0.638 42.889 42.059 0.321 0.000 1.215 234 L HN 0.450 nan 8.230 nan 0.000 0.425 235 H N 3.898 123.048 119.070 0.132 0.000 2.508 235 H HA 0.221 4.775 4.556 -0.004 0.000 0.344 235 H C -1.546 173.867 175.328 0.141 0.000 1.192 235 H CA -1.774 54.283 56.048 0.015 0.000 1.290 235 H CB 1.837 31.598 29.762 -0.002 0.000 1.571 235 H HN 0.366 nan 8.280 nan 0.000 0.555 236 P HA -0.112 nan 4.420 nan 0.000 0.226 236 P C 0.639 178.089 177.300 0.250 0.000 1.153 236 P CA 1.253 64.421 63.100 0.113 0.000 0.777 236 P CB 0.370 32.081 31.700 0.017 0.000 0.794 237 D N -0.839 119.759 120.400 0.331 0.000 2.474 237 D HA 0.048 4.686 4.640 -0.002 0.000 0.213 237 D C 0.511 176.953 176.300 0.237 0.000 1.120 237 D CA 0.196 54.373 54.000 0.295 0.000 0.836 237 D CB 0.562 41.422 40.800 0.101 0.000 1.019 237 D HN 0.298 nan 8.370 nan 0.000 0.507 238 K N -0.839 119.668 120.400 0.177 0.000 2.642 238 K HA 0.411 4.729 4.320 -0.002 0.000 0.290 238 K C -1.504 175.065 176.600 -0.051 0.000 1.006 238 K CA -1.081 55.049 56.287 -0.262 0.000 0.869 238 K CB 1.264 33.584 32.500 -0.299 0.000 1.499 238 K HN 0.104 nan 8.250 nan 0.000 0.403 239 W N 0.551 121.695 121.300 -0.259 0.000 3.031 239 W HA 0.760 5.417 4.660 -0.004 0.000 0.337 239 W C -1.684 174.919 176.519 0.140 0.000 1.187 239 W CA -0.901 56.465 57.345 0.035 0.000 1.166 239 W CB 1.569 31.010 29.460 -0.031 0.000 1.437 239 W HN 0.831 nan 8.180 nan 0.000 0.551 240 T N 0.205 114.971 114.554 0.353 0.000 2.762 240 T HA 0.474 4.823 4.350 -0.002 0.000 0.301 240 T C -0.797 174.211 174.700 0.513 0.000 1.299 240 T CA -0.282 61.839 62.100 0.034 0.000 1.005 240 T CB 1.041 69.794 68.868 -0.193 0.000 1.377 240 T HN 0.857 nan 8.240 nan 0.000 0.504 241 V N 1.194 121.341 119.914 0.388 0.000 2.881 241 V HA 0.538 4.656 4.120 -0.002 0.000 0.303 241 V C 0.635 176.935 176.094 0.343 0.000 1.070 241 V CA -0.703 61.849 62.300 0.420 0.000 1.074 241 V CB 0.383 32.364 31.823 0.263 0.000 1.012 241 V HN 1.007 nan 8.190 nan 0.000 0.482 242 Q N 3.294 123.297 119.800 0.338 0.000 2.386 242 Q HA 0.191 4.530 4.340 -0.002 0.000 0.282 242 Q C -2.092 174.015 176.000 0.179 0.000 1.050 242 Q CA -0.959 54.988 55.803 0.239 0.000 0.918 242 Q CB 0.418 29.260 28.738 0.173 0.000 1.266 242 Q HN 0.729 nan 8.270 nan 0.000 0.423 243 P HA -0.012 nan 4.420 nan 0.000 0.265 243 P C -1.041 176.298 177.300 0.066 0.000 1.187 243 P CA 0.321 63.482 63.100 0.101 0.000 0.766 243 P CB 0.512 32.269 31.700 0.096 0.000 0.820 244 I N 3.206 123.796 120.570 0.034 0.000 2.610 244 I HA 0.242 4.411 4.170 -0.002 0.000 0.289 244 I C -1.390 174.724 176.117 -0.005 0.000 1.163 244 I CA -0.981 60.327 61.300 0.013 0.000 1.044 244 I CB 2.288 40.295 38.000 0.012 0.000 1.251 244 I HN 0.083 nan 8.210 nan 0.000 0.424 245 V N 8.288 128.205 119.914 0.006 0.000 2.347 245 V HA 0.531 4.650 4.120 -0.002 0.000 0.280 245 V C -0.574 175.533 176.094 0.022 0.000 1.021 245 V CA -0.580 61.725 62.300 0.008 0.000 0.847 245 V CB 1.395 33.224 31.823 0.010 0.000 0.990 245 V HN 0.578 nan 8.190 nan 0.000 0.444 246 L N 10.120 131.362 121.223 0.032 0.000 2.325 246 L HA 0.401 4.739 4.340 -0.002 0.000 0.284 246 L C -1.775 175.152 176.870 0.095 0.000 1.089 246 L CA -1.521 53.370 54.840 0.084 0.000 0.836 246 L CB 0.642 42.750 42.059 0.082 0.000 1.184 246 L HN 0.499 nan 8.230 nan 0.000 0.444 247 P HA 0.078 nan 4.420 nan 0.000 0.269 247 P C -0.719 176.602 177.300 0.034 0.000 1.209 247 P CA -0.256 62.846 63.100 0.003 0.000 0.776 247 P CB 0.858 32.497 31.700 -0.101 0.000 0.876 248 E N 1.835 122.033 120.200 -0.004 0.000 2.115 248 E HA 0.301 4.650 4.350 -0.002 0.000 0.282 248 E C -0.429 176.126 176.600 -0.075 0.000 0.987 248 E CA -0.311 56.102 56.400 0.021 0.000 0.797 248 E CB 0.736 30.450 29.700 0.024 0.000 1.086 248 E HN 0.281 nan 8.360 nan 0.000 0.397 249 K N 2.319 122.664 120.400 -0.092 0.000 2.502 249 K HA 0.271 4.590 4.320 -0.002 0.000 0.257 249 K C -0.451 176.089 176.600 -0.099 0.000 0.938 249 K CA -0.793 55.336 56.287 -0.264 0.000 0.819 249 K CB 1.867 33.907 32.500 -0.766 0.000 1.333 249 K HN 0.223 nan 8.250 nan 0.000 0.434 250 D N 0.409 120.753 120.400 -0.093 0.000 2.144 250 D HA -0.009 4.630 4.640 -0.002 0.000 0.207 250 D C -0.041 176.279 176.300 0.033 0.000 0.970 250 D CA 1.139 55.144 54.000 0.008 0.000 0.853 250 D CB 0.278 41.075 40.800 -0.006 0.000 1.007 250 D HN 0.279 nan 8.370 nan 0.000 0.469 251 S N 0.225 115.882 115.700 -0.072 0.000 2.457 251 S HA 0.286 4.754 4.470 -0.002 0.000 0.289 251 S C -0.855 173.665 174.600 -0.133 0.000 1.163 251 S CA -0.576 57.609 58.200 -0.027 0.000 1.078 251 S CB 0.787 63.965 63.200 -0.036 0.000 0.987 251 S HN 0.120 nan 8.310 nan 0.000 0.482 252 W N 2.648 123.941 121.300 -0.011 0.000 2.361 252 W HA 0.342 5.000 4.660 -0.003 0.000 0.314 252 W C 0.763 177.274 176.519 -0.012 0.000 1.041 252 W CA -0.678 56.659 57.345 -0.012 0.000 1.241 252 W CB 0.818 30.270 29.460 -0.013 0.000 1.279 252 W HN 0.615 nan 8.180 nan 0.000 0.436 253 T N -1.328 113.317 114.554 0.152 0.000 2.828 253 T HA 0.137 4.486 4.350 -0.002 0.000 0.290 253 T C 1.050 175.833 174.700 0.139 0.000 1.019 253 T CA -0.738 61.425 62.100 0.105 0.000 1.031 253 T CB 1.232 70.124 68.868 0.040 0.000 1.001 253 T HN 0.211 nan 8.240 nan 0.000 0.531 254 V N 1.669 121.635 119.914 0.086 0.000 2.332 254 V HA -0.227 3.892 4.120 -0.002 0.000 0.248 254 V C 2.864 179.003 176.094 0.074 0.000 1.055 254 V CA 2.310 64.652 62.300 0.071 0.000 1.038 254 V CB -1.204 30.643 31.823 0.039 0.000 0.651 254 V HN 1.045 nan 8.190 nan 0.000 0.450 255 N N -0.152 118.584 118.700 0.060 0.000 2.166 255 N HA -0.223 4.516 4.740 -0.002 0.000 0.186 255 N C 1.510 177.069 175.510 0.081 0.000 1.019 255 N CA 1.559 54.639 53.050 0.049 0.000 0.856 255 N CB -0.053 38.448 38.487 0.024 0.000 0.993 255 N HN 0.470 nan 8.380 nan 0.000 0.426 256 D N 1.045 121.518 120.400 0.123 0.000 2.097 256 D HA -0.161 4.478 4.640 -0.002 0.000 0.195 256 D C 1.965 178.488 176.300 0.372 0.000 0.989 256 D CA 0.945 55.072 54.000 0.212 0.000 0.827 256 D CB -0.297 40.623 40.800 0.201 0.000 0.966 256 D HN 0.505 nan 8.370 nan 0.000 0.456 257 I N 0.024 120.790 120.570 0.326 0.000 2.546 257 I HA -0.175 3.994 4.170 -0.002 0.000 0.255 257 I C 2.085 178.244 176.117 0.069 0.000 1.163 257 I CA 1.223 62.611 61.300 0.147 0.000 1.457 257 I CB -0.184 37.832 38.000 0.026 0.000 1.092 257 I HN -0.164 nan 8.210 nan 0.000 0.434 258 Q N 1.268 121.111 119.800 0.072 0.000 1.985 258 Q HA -0.263 4.075 4.340 -0.002 0.000 0.207 258 Q C 2.255 178.279 176.000 0.039 0.000 0.996 258 Q CA 2.613 58.440 55.803 0.039 0.000 0.851 258 Q CB -0.171 28.586 28.738 0.032 0.000 0.921 258 Q HN 0.517 nan 8.270 nan 0.000 0.418 259 K N -0.135 120.298 120.400 0.055 0.000 2.103 259 K HA -0.153 4.166 4.320 -0.002 0.000 0.207 259 K C 1.949 178.582 176.600 0.055 0.000 1.048 259 K CA 1.125 57.437 56.287 0.042 0.000 0.930 259 K CB -0.326 32.200 32.500 0.042 0.000 0.716 259 K HN 0.226 nan 8.250 nan 0.000 0.444 260 L N 1.033 122.314 121.223 0.097 0.000 1.970 260 L HA -0.192 4.147 4.340 -0.002 0.000 0.212 260 L C 2.083 178.965 176.870 0.020 0.000 1.071 260 L CA 1.746 56.632 54.840 0.078 0.000 0.751 260 L CB -0.679 41.427 42.059 0.079 0.000 0.889 260 L HN 0.028 nan 8.230 nan 0.000 0.432 261 V N 0.667 120.582 119.914 0.001 0.000 2.324 261 V HA -0.278 3.841 4.120 -0.002 0.000 0.250 261 V C 2.778 178.886 176.094 0.022 0.000 1.060 261 V CA 1.857 64.154 62.300 -0.005 0.000 1.042 261 V CB -1.401 30.415 31.823 -0.011 0.000 0.650 261 V HN 0.679 nan 8.190 nan 0.000 0.450 262 G N -0.572 108.244 108.800 0.026 0.000 2.433 262 G HA2 -0.233 3.726 3.960 -0.002 0.000 0.216 262 G HA3 -0.233 3.726 3.960 -0.002 0.000 0.216 262 G C 1.665 176.606 174.900 0.068 0.000 1.186 262 G CA 0.680 45.801 45.100 0.035 0.000 0.779 262 G HN 0.341 nan 8.290 nan 0.000 0.543 263 K N -0.124 120.306 120.400 0.050 0.000 2.032 263 K HA -0.009 4.310 4.320 -0.002 0.000 0.209 263 K C 2.534 179.192 176.600 0.097 0.000 1.048 263 K CA 0.577 56.909 56.287 0.075 0.000 0.927 263 K CB -0.778 31.746 32.500 0.039 0.000 0.712 263 K HN 0.209 nan 8.250 nan 0.000 0.441 264 L N 2.125 123.376 121.223 0.047 0.000 1.989 264 L HA -0.210 4.129 4.340 -0.002 0.000 0.211 264 L C 1.930 178.837 176.870 0.061 0.000 1.071 264 L CA 1.664 56.516 54.840 0.021 0.000 0.749 264 L CB -1.308 40.746 42.059 -0.007 0.000 0.890 264 L HN 0.210 nan 8.230 nan 0.000 0.431 265 N N -1.281 117.472 118.700 0.089 0.000 2.094 265 N HA -0.289 4.450 4.740 -0.002 0.000 0.191 265 N C 1.715 177.333 175.510 0.180 0.000 1.023 265 N CA 1.397 54.519 53.050 0.118 0.000 0.857 265 N CB -0.482 38.079 38.487 0.124 0.000 1.013 265 N HN 0.528 nan 8.380 nan 0.000 0.426 266 W N 1.656 122.962 121.300 0.012 0.000 2.388 266 W HA -0.082 4.576 4.660 -0.002 0.000 0.294 266 W C 1.999 178.561 176.519 0.072 0.000 1.212 266 W CA 1.443 58.801 57.345 0.021 0.000 1.271 266 W CB -0.071 29.367 29.460 -0.036 0.000 1.126 266 W HN 0.065 nan 8.180 nan 0.000 0.535 267 A N 0.649 123.532 122.820 0.104 0.000 1.930 267 A HA -0.232 4.086 4.320 -0.002 0.000 0.217 267 A C 1.913 179.557 177.584 0.101 0.000 1.175 267 A CA 2.148 54.207 52.037 0.036 0.000 0.627 267 A CB -1.346 17.573 19.000 -0.135 0.000 0.815 267 A HN 0.329 nan 8.150 nan 0.000 0.443 268 S N -0.637 115.098 115.700 0.059 0.000 2.584 268 S HA -0.182 4.286 4.470 -0.002 0.000 0.240 268 S C 1.609 176.227 174.600 0.031 0.000 0.975 268 S CA 1.234 59.467 58.200 0.054 0.000 0.949 268 S CB -0.441 62.776 63.200 0.028 0.000 0.761 268 S HN 0.676 nan 8.310 nan 0.000 0.536 269 Q N -0.511 119.308 119.800 0.032 0.000 2.369 269 Q HA 0.160 4.498 4.340 -0.002 0.000 0.206 269 Q C 1.371 177.496 176.000 0.209 0.000 0.963 269 Q CA 1.091 56.948 55.803 0.090 0.000 0.894 269 Q CB 0.076 28.803 28.738 -0.018 0.000 0.965 269 Q HN 0.683 nan 8.270 nan 0.000 0.475 270 I N -2.112 118.525 120.570 0.112 0.000 5.157 270 I HA 0.097 4.266 4.170 -0.002 0.000 0.350 270 I C -1.114 174.888 176.117 -0.192 0.000 1.233 270 I CA -0.120 61.132 61.300 -0.080 0.000 1.476 270 I CB 0.879 38.661 38.000 -0.364 0.000 1.619 270 I HN -0.109 nan 8.210 nan 0.000 0.557 271 Y N 4.989 125.229 120.300 -0.099 0.000 2.383 271 Y HA 0.487 5.036 4.550 -0.001 0.000 0.344 271 Y C -2.118 173.738 175.900 -0.074 0.000 0.986 271 Y CA -2.347 55.698 58.100 -0.092 0.000 1.175 271 Y CB 0.475 38.889 38.460 -0.077 0.000 1.152 271 Y HN 0.048 nan 8.280 nan 0.000 0.511 272 P HA 0.209 nan 4.420 nan 0.000 0.280 272 P C 0.641 177.953 177.300 0.019 0.000 1.244 272 P CA 0.284 63.383 63.100 -0.002 0.000 0.784 272 P CB 1.644 33.326 31.700 -0.029 0.000 0.913 273 G N 2.795 111.600 108.800 0.009 0.000 2.195 273 G HA2 -0.181 3.778 3.960 -0.002 0.000 0.224 273 G HA3 -0.181 3.778 3.960 -0.002 0.000 0.224 273 G C 0.184 175.086 174.900 0.004 0.000 0.990 273 G CA -0.526 44.577 45.100 0.005 0.000 0.639 273 G HN 0.457 nan 8.290 nan 0.000 0.514 274 I N 1.190 121.769 120.570 0.015 0.000 2.683 274 I HA 0.284 4.453 4.170 -0.002 0.000 0.286 274 I C 0.516 176.630 176.117 -0.005 0.000 1.175 274 I CA 0.805 62.107 61.300 0.002 0.000 1.429 274 I CB 0.714 38.720 38.000 0.010 0.000 1.371 274 I HN 0.143 nan 8.210 nan 0.000 0.569 275 K N 4.489 124.877 120.400 -0.020 0.000 2.426 275 K HA 0.521 4.839 4.320 -0.002 0.000 0.251 275 K C 0.133 176.711 176.600 -0.036 0.000 0.941 275 K CA -0.599 55.673 56.287 -0.024 0.000 0.808 275 K CB 2.525 35.005 32.500 -0.033 0.000 1.265 275 K HN 0.369 nan 8.250 nan 0.000 0.432 276 V N -1.415 118.479 119.914 -0.034 0.000 3.276 276 V HA 0.290 4.409 4.120 -0.002 0.000 0.319 276 V C 1.438 177.503 176.094 -0.048 0.000 1.476 276 V CA -0.208 62.065 62.300 -0.045 0.000 1.097 276 V CB 0.345 32.150 31.823 -0.030 0.000 0.988 276 V HN 0.729 nan 8.190 nan 0.000 0.473 277 R N 0.402 120.874 120.500 -0.046 0.000 2.083 277 R HA -0.123 4.216 4.340 -0.002 0.000 0.237 277 R C 2.232 178.499 176.300 -0.055 0.000 1.137 277 R CA 2.224 58.296 56.100 -0.047 0.000 0.951 277 R CB -0.032 30.239 30.300 -0.048 0.000 0.851 277 R HN 0.506 nan 8.270 nan 0.000 0.434 278 Q N 0.281 120.042 119.800 -0.065 0.000 2.224 278 Q HA -0.078 4.261 4.340 -0.002 0.000 0.203 278 Q C 2.103 178.051 176.000 -0.088 0.000 0.970 278 Q CA 1.023 56.782 55.803 -0.073 0.000 0.865 278 Q CB 0.030 28.722 28.738 -0.077 0.000 0.922 278 Q HN 0.434 nan 8.270 nan 0.000 0.445 279 L N -1.137 120.027 121.223 -0.099 0.000 2.240 279 L HA -0.088 4.251 4.340 -0.002 0.000 0.211 279 L C 2.309 179.128 176.870 -0.085 0.000 1.106 279 L CA 0.310 55.077 54.840 -0.121 0.000 0.793 279 L CB -0.199 41.773 42.059 -0.144 0.000 0.927 279 L HN 0.183 nan 8.230 nan 0.000 0.446 280 C N -0.115 119.148 119.300 -0.062 0.000 2.486 280 C HA -0.082 4.376 4.460 -0.002 0.000 0.279 280 C C 2.770 177.736 174.990 -0.040 0.000 1.302 280 C CA 0.351 59.343 59.018 -0.044 0.000 1.720 280 C CB -0.405 27.314 27.740 -0.035 0.000 2.030 280 C HN 0.419 nan 8.230 nan 0.000 0.490 281 K N 0.929 121.303 120.400 -0.044 0.000 2.020 281 K HA -0.169 4.150 4.320 -0.002 0.000 0.212 281 K C 1.699 178.277 176.600 -0.037 0.000 1.050 281 K CA 1.361 57.625 56.287 -0.038 0.000 0.929 281 K CB -0.443 32.032 32.500 -0.042 0.000 0.714 281 K HN 0.474 nan 8.250 nan 0.000 0.443 282 L N 1.016 122.211 121.223 -0.047 0.000 2.369 282 L HA -0.252 4.087 4.340 -0.002 0.000 0.220 282 L C 2.101 178.955 176.870 -0.027 0.000 1.119 282 L CA 0.967 55.782 54.840 -0.043 0.000 0.780 282 L CB -0.484 41.534 42.059 -0.067 0.000 0.906 282 L HN 0.263 nan 8.230 nan 0.000 0.442 283 L N -1.595 119.613 121.223 -0.025 0.000 2.200 283 L HA 0.046 4.385 4.340 -0.002 0.000 0.200 283 L C 1.416 178.280 176.870 -0.011 0.000 1.072 283 L CA -0.202 54.630 54.840 -0.014 0.000 0.787 283 L CB -0.230 41.821 42.059 -0.014 0.000 0.957 283 L HN 0.124 nan 8.230 nan 0.000 0.459 284 R N 2.088 122.580 120.500 -0.015 0.000 3.097 284 R HA -0.058 4.281 4.340 -0.002 0.000 0.253 284 R C -0.266 176.029 176.300 -0.008 0.000 0.766 284 R CA 1.394 57.486 56.100 -0.012 0.000 1.062 284 R CB -0.942 29.348 30.300 -0.015 0.000 0.935 284 R HN 0.472 nan 8.270 nan 0.000 0.388 285 G N 2.655 111.452 108.800 -0.006 0.000 3.055 285 G HA2 -0.194 3.764 3.960 -0.002 0.000 0.685 285 G HA3 -0.194 3.764 3.960 -0.002 0.000 0.685 285 G C -0.487 174.412 174.900 -0.001 0.000 1.212 285 G CA -0.351 44.746 45.100 -0.003 0.000 0.822 285 G HN 0.605 nan 8.290 nan 0.000 0.610 286 T N 3.856 118.410 114.554 -0.000 0.000 2.905 286 T HA 0.451 4.800 4.350 -0.002 0.000 0.299 286 T C 0.339 175.041 174.700 0.002 0.000 1.024 286 T CA 0.378 62.478 62.100 0.001 0.000 1.151 286 T CB 0.461 69.329 68.868 0.001 0.000 0.987 286 T HN 0.641 nan 8.240 nan 0.000 0.535 287 K N 0.616 121.018 120.400 0.003 0.000 2.639 287 K HA 0.505 4.823 4.320 -0.002 0.000 0.279 287 K C -0.778 175.826 176.600 0.006 0.000 0.976 287 K CA -0.709 55.581 56.287 0.005 0.000 0.861 287 K CB 1.687 34.191 32.500 0.007 0.000 1.436 287 K HN 0.606 nan 8.250 nan 0.000 0.400 288 A N 2.116 124.940 122.820 0.006 0.000 2.445 288 A HA 0.276 4.595 4.320 -0.002 0.000 0.242 288 A C 1.556 179.146 177.584 0.010 0.000 1.075 288 A CA -0.136 51.904 52.037 0.006 0.000 0.777 288 A CB -0.269 18.733 19.000 0.004 0.000 1.013 288 A HN 0.719 nan 8.150 nan 0.000 0.493 289 L N 0.861 122.089 121.223 0.009 0.000 2.549 289 L HA -0.030 4.309 4.340 -0.002 0.000 0.229 289 L C 1.587 178.466 176.870 0.015 0.000 1.158 289 L CA 1.630 56.478 54.840 0.013 0.000 0.842 289 L CB -1.236 40.828 42.059 0.009 0.000 0.952 289 L HN 0.751 nan 8.230 nan 0.000 0.452 290 T N -3.687 110.873 114.554 0.010 0.000 3.065 290 T HA 0.037 4.386 4.350 -0.002 0.000 0.252 290 T C 0.752 175.460 174.700 0.014 0.000 1.099 290 T CA -0.275 61.830 62.100 0.008 0.000 1.063 290 T CB -0.080 68.788 68.868 0.001 0.000 0.948 290 T HN 0.448 nan 8.240 nan 0.000 0.506 291 E N 2.716 122.927 120.200 0.017 0.000 2.366 291 E HA 0.238 4.586 4.350 -0.002 0.000 0.266 291 E C 0.031 176.652 176.600 0.035 0.000 1.015 291 E CA -0.557 55.856 56.400 0.021 0.000 0.906 291 E CB 0.714 30.425 29.700 0.018 0.000 0.979 291 E HN 0.382 nan 8.360 nan 0.000 0.443 292 V N 3.509 123.445 119.914 0.036 0.000 2.614 292 V HA 0.346 4.465 4.120 -0.002 0.000 0.291 292 V C 0.225 176.356 176.094 0.061 0.000 1.049 292 V CA -0.322 62.012 62.300 0.058 0.000 1.038 292 V CB 0.565 32.417 31.823 0.048 0.000 0.980 292 V HN 0.482 nan 8.190 nan 0.000 0.481 293 I N 5.834 126.455 120.570 0.086 0.000 2.410 293 I HA 0.413 4.581 4.170 -0.002 0.000 0.286 293 I C -2.265 173.893 176.117 0.069 0.000 1.009 293 I CA -2.029 59.307 61.300 0.060 0.000 1.111 293 I CB 2.285 40.310 38.000 0.041 0.000 1.262 293 I HN 0.509 nan 8.210 nan 0.000 0.443 294 P HA 0.121 nan 4.420 nan 0.000 0.267 294 P C -0.634 176.669 177.300 0.006 0.000 1.209 294 P CA -0.057 63.068 63.100 0.041 0.000 0.763 294 P CB 0.554 32.270 31.700 0.026 0.000 0.816 295 L N 3.406 124.623 121.223 -0.011 0.000 2.418 295 L HA 0.134 4.473 4.340 -0.002 0.000 0.274 295 L C 1.738 178.575 176.870 -0.055 0.000 1.135 295 L CA -0.491 54.304 54.840 -0.076 0.000 0.870 295 L CB -0.327 41.642 42.059 -0.149 0.000 1.154 295 L HN 0.452 nan 8.230 nan 0.000 0.462 296 T N -1.508 113.011 114.554 -0.058 0.000 2.649 296 T HA -0.075 4.274 4.350 -0.002 0.000 0.337 296 T C 1.009 175.679 174.700 -0.049 0.000 1.070 296 T CA -0.197 61.876 62.100 -0.045 0.000 1.052 296 T CB 1.037 69.878 68.868 -0.046 0.000 0.994 296 T HN 0.736 nan 8.240 nan 0.000 0.544 297 E N 0.248 120.425 120.200 -0.039 0.000 2.072 297 E HA -0.168 4.181 4.350 -0.002 0.000 0.191 297 E C 2.030 178.603 176.600 -0.045 0.000 0.985 297 E CA 1.331 57.709 56.400 -0.036 0.000 0.801 297 E CB -0.062 29.622 29.700 -0.027 0.000 0.750 297 E HN 0.778 nan 8.360 nan 0.000 0.452 298 E N 0.601 120.772 120.200 -0.048 0.000 2.058 298 E HA -0.186 4.163 4.350 -0.002 0.000 0.194 298 E C 1.877 178.435 176.600 -0.070 0.000 0.997 298 E CA 1.353 57.721 56.400 -0.054 0.000 0.801 298 E CB -0.352 29.316 29.700 -0.053 0.000 0.746 298 E HN 0.327 nan 8.360 nan 0.000 0.450 299 A N 1.140 123.910 122.820 -0.084 0.000 1.892 299 A HA -0.315 4.004 4.320 -0.002 0.000 0.218 299 A C 2.020 179.527 177.584 -0.129 0.000 1.188 299 A CA 2.045 54.011 52.037 -0.119 0.000 0.631 299 A CB -0.725 18.189 19.000 -0.143 0.000 0.822 299 A HN 0.271 nan 8.150 nan 0.000 0.447 300 E N -0.505 119.632 120.200 -0.105 0.000 2.130 300 E HA -0.187 4.161 4.350 -0.002 0.000 0.196 300 E C 1.887 178.446 176.600 -0.068 0.000 0.998 300 E CA 1.157 57.505 56.400 -0.086 0.000 0.806 300 E CB -0.196 29.474 29.700 -0.050 0.000 0.738 300 E HN 0.427 nan 8.360 nan 0.000 0.459 301 L N 0.763 121.950 121.223 -0.060 0.000 2.095 301 L HA -0.105 4.234 4.340 -0.002 0.000 0.204 301 L C 2.372 179.208 176.870 -0.057 0.000 1.080 301 L CA 1.494 56.305 54.840 -0.049 0.000 0.759 301 L CB -0.941 41.093 42.059 -0.041 0.000 0.914 301 L HN 0.180 nan 8.230 nan 0.000 0.439 302 E N -0.045 120.113 120.200 -0.070 0.000 2.065 302 E HA -0.306 4.042 4.350 -0.002 0.000 0.201 302 E C 2.185 178.737 176.600 -0.080 0.000 1.016 302 E CA 1.605 57.961 56.400 -0.074 0.000 0.818 302 E CB -0.094 29.553 29.700 -0.088 0.000 0.749 302 E HN 0.189 nan 8.360 nan 0.000 0.453 303 L N 0.546 121.706 121.223 -0.106 0.000 2.127 303 L HA -0.162 4.176 4.340 -0.002 0.000 0.211 303 L C 2.019 178.855 176.870 -0.057 0.000 1.089 303 L CA 2.040 56.817 54.840 -0.104 0.000 0.757 303 L CB -0.763 41.203 42.059 -0.154 0.000 0.899 303 L HN 0.194 nan 8.230 nan 0.000 0.434 304 A N 0.165 122.957 122.820 -0.046 0.000 1.829 304 A HA -0.276 4.043 4.320 -0.002 0.000 0.216 304 A C 2.052 179.621 177.584 -0.026 0.000 1.207 304 A CA 2.065 54.086 52.037 -0.027 0.000 0.622 304 A CB -1.019 17.966 19.000 -0.025 0.000 0.846 304 A HN 0.659 nan 8.150 nan 0.000 0.447 305 E N -0.414 119.769 120.200 -0.029 0.000 2.033 305 E HA -0.307 4.042 4.350 -0.002 0.000 0.199 305 E C 1.760 178.344 176.600 -0.026 0.000 1.011 305 E CA 1.380 57.765 56.400 -0.025 0.000 0.815 305 E CB -0.711 28.973 29.700 -0.027 0.000 0.755 305 E HN 0.492 nan 8.360 nan 0.000 0.451 306 N N 1.027 119.705 118.700 -0.037 0.000 2.122 306 N HA -0.233 4.506 4.740 -0.002 0.000 0.199 306 N C 1.760 177.242 175.510 -0.047 0.000 1.007 306 N CA 1.659 54.682 53.050 -0.045 0.000 0.892 306 N CB -0.410 38.042 38.487 -0.059 0.000 1.050 306 N HN 0.237 nan 8.380 nan 0.000 0.468 307 R N 0.188 120.666 120.500 -0.036 0.000 2.152 307 R HA -0.108 4.230 4.340 -0.002 0.000 0.232 307 R C 1.774 178.063 176.300 -0.018 0.000 1.117 307 R CA 0.928 57.012 56.100 -0.026 0.000 0.981 307 R CB -0.057 30.238 30.300 -0.008 0.000 0.870 307 R HN 0.230 nan 8.270 nan 0.000 0.451 308 E N 1.219 121.411 120.200 -0.013 0.000 2.046 308 E HA -0.120 4.228 4.350 -0.002 0.000 0.190 308 E C 1.777 178.383 176.600 0.010 0.000 0.982 308 E CA 1.211 57.609 56.400 -0.004 0.000 0.800 308 E CB -0.148 29.548 29.700 -0.008 0.000 0.756 308 E HN 0.424 nan 8.360 nan 0.000 0.449 309 I N -1.266 119.313 120.570 0.016 0.000 2.756 309 I HA -0.084 4.085 4.170 -0.002 0.000 0.262 309 I C 1.142 177.339 176.117 0.132 0.000 1.225 309 I CA 0.576 61.915 61.300 0.064 0.000 1.472 309 I CB -0.192 37.849 38.000 0.069 0.000 1.094 309 I HN 0.007 nan 8.210 nan 0.000 0.454 310 L N 1.083 122.314 121.223 0.014 0.000 2.585 310 L HA 0.134 4.473 4.340 -0.002 0.000 0.226 310 L C 2.301 179.181 176.870 0.017 0.000 1.113 310 L CA 0.876 55.675 54.840 -0.069 0.000 0.876 310 L CB -0.754 41.167 42.059 -0.230 0.000 1.072 310 L HN 0.222 nan 8.230 nan 0.000 0.468 311 K N 0.897 121.314 120.400 0.028 0.000 2.059 311 K HA -0.158 4.160 4.320 -0.002 0.000 0.212 311 K C -0.089 176.535 176.600 0.040 0.000 1.050 311 K CA 1.355 57.656 56.287 0.024 0.000 0.927 311 K CB 0.172 32.682 32.500 0.016 0.000 0.714 311 K HN 0.350 nan 8.250 nan 0.000 0.447 312 E N 1.694 121.932 120.200 0.063 0.000 2.199 312 E HA 0.288 4.636 4.350 -0.002 0.000 0.269 312 E C -2.480 174.171 176.600 0.085 0.000 0.899 312 E CA -2.641 53.790 56.400 0.052 0.000 0.772 312 E CB 1.516 31.227 29.700 0.018 0.000 1.155 312 E HN 0.168 nan 8.360 nan 0.000 0.408 313 P HA -0.023 nan 4.420 nan 0.000 0.265 313 P C -0.542 176.641 177.300 -0.194 0.000 1.187 313 P CA 0.091 63.185 63.100 -0.010 0.000 0.766 313 P CB 0.536 32.245 31.700 0.015 0.000 0.820 314 V N 3.538 123.140 119.914 -0.520 0.000 2.789 314 V HA 0.366 4.484 4.120 -0.002 0.000 0.311 314 V C -0.475 175.077 176.094 -0.902 0.000 1.073 314 V CA -0.562 61.330 62.300 -0.680 0.000 0.921 314 V CB 1.979 33.231 31.823 -0.952 0.000 1.009 314 V HN 0.605 nan 8.190 nan 0.000 0.426 315 H N 0.931 119.724 119.070 -0.463 0.000 2.637 315 H HA 0.701 5.258 4.556 0.001 0.000 0.363 315 H C 0.345 175.289 175.328 -0.640 0.000 1.131 315 H CA -0.036 55.683 56.048 -0.549 0.000 1.183 315 H CB 2.015 31.525 29.762 -0.419 0.000 1.637 315 H HN 0.927 nan 8.280 nan 0.000 0.531 316 G N 1.145 109.383 108.800 -0.936 0.000 2.400 316 G HA2 0.453 4.412 3.960 -0.002 0.000 0.301 316 G HA3 0.453 4.412 3.960 -0.002 0.000 0.301 316 G C -0.397 174.188 174.900 -0.524 0.000 1.154 316 G CA -0.400 44.219 45.100 -0.802 0.000 0.852 316 G HN 0.446 nan 8.290 nan 0.000 0.511 317 V N 0.610 120.430 119.914 -0.157 0.000 3.295 317 V HA 0.353 4.472 4.120 -0.002 0.000 0.308 317 V C -0.336 175.810 176.094 0.086 0.000 1.068 317 V CA -0.501 61.752 62.300 -0.078 0.000 1.062 317 V CB 1.145 32.975 31.823 0.013 0.000 1.162 317 V HN 0.581 nan 8.190 nan 0.000 0.456 318 Y N -0.363 120.099 120.300 0.270 0.000 2.458 318 Y HA 0.404 4.951 4.550 -0.005 0.000 0.322 318 Y C -0.139 175.933 175.900 0.287 0.000 1.259 318 Y CA -0.857 57.425 58.100 0.304 0.000 1.302 318 Y CB 0.511 39.100 38.460 0.215 0.000 1.314 318 Y HN 0.545 nan 8.280 nan 0.000 0.509 319 Y N 2.025 122.563 120.300 0.397 0.000 2.359 319 Y HA 0.203 4.753 4.550 -0.000 0.000 0.334 319 Y C -0.385 175.599 175.900 0.141 0.000 1.058 319 Y CA -0.974 57.276 58.100 0.251 0.000 1.244 319 Y CB 0.395 39.094 38.460 0.399 0.000 1.187 319 Y HN 0.498 nan 8.280 nan 0.000 0.510 320 D N 8.710 128.862 120.400 -0.413 0.000 2.412 320 D HA 0.282 4.920 4.640 -0.002 0.000 0.224 320 D C -2.150 173.607 176.300 -0.904 0.000 1.093 320 D CA -2.566 51.141 54.000 -0.487 0.000 0.850 320 D CB 1.924 42.589 40.800 -0.225 0.000 1.046 320 D HN 0.344 nan 8.370 nan 0.000 0.507 321 P HA -0.124 nan 4.420 nan 0.000 0.219 321 P C 1.004 178.136 177.300 -0.282 0.000 1.146 321 P CA 0.984 63.700 63.100 -0.640 0.000 0.808 321 P CB 0.161 31.736 31.700 -0.208 0.000 0.779 322 S N -2.651 112.911 115.700 -0.231 0.000 2.671 322 S HA 0.150 4.619 4.470 -0.002 0.000 0.220 322 S C 0.595 175.124 174.600 -0.118 0.000 0.951 322 S CA -0.096 58.028 58.200 -0.126 0.000 0.932 322 S CB -0.586 62.556 63.200 -0.097 0.000 0.777 322 S HN 0.044 nan 8.310 nan 0.000 0.508 323 K N 0.938 121.244 120.400 -0.157 0.000 2.395 323 K HA 0.429 4.748 4.320 -0.002 0.000 0.247 323 K C -1.294 175.242 176.600 -0.107 0.000 0.973 323 K CA -0.922 55.291 56.287 -0.123 0.000 0.828 323 K CB 1.034 33.456 32.500 -0.131 0.000 1.272 323 K HN 0.105 nan 8.250 nan 0.000 0.439 324 D N 1.426 121.761 120.400 -0.107 0.000 2.357 324 D HA 0.153 4.792 4.640 -0.002 0.000 0.242 324 D C -0.177 176.003 176.300 -0.201 0.000 1.153 324 D CA 0.037 53.961 54.000 -0.127 0.000 0.918 324 D CB 0.745 41.468 40.800 -0.129 0.000 1.181 324 D HN 0.205 nan 8.370 nan 0.000 0.435 325 L N 1.920 122.983 121.223 -0.266 0.000 2.264 325 L HA 0.277 4.616 4.340 -0.002 0.000 0.289 325 L C -0.157 176.420 176.870 -0.489 0.000 1.044 325 L CA -0.710 53.871 54.840 -0.432 0.000 0.807 325 L CB 0.931 42.656 42.059 -0.556 0.000 1.192 325 L HN 0.094 nan 8.230 nan 0.000 0.425 326 I N 3.544 123.740 120.570 -0.623 0.000 2.307 326 I HA 0.384 4.553 4.170 -0.002 0.000 0.289 326 I C 0.489 176.136 176.117 -0.783 0.000 1.021 326 I CA -0.331 60.524 61.300 -0.742 0.000 1.224 326 I CB 1.133 38.545 38.000 -0.979 0.000 1.376 326 I HN 0.544 nan 8.210 nan 0.000 0.470 327 A N 6.198 128.627 122.820 -0.653 0.000 2.292 327 A HA 0.627 4.945 4.320 -0.002 0.000 0.319 327 A C -0.085 177.369 177.584 -0.216 0.000 1.206 327 A CA -0.493 51.257 52.037 -0.479 0.000 0.835 327 A CB 0.965 19.508 19.000 -0.762 0.000 1.164 327 A HN 0.743 nan 8.150 nan 0.000 0.505 328 E N 1.707 121.911 120.200 0.006 0.000 2.238 328 E HA 0.686 5.035 4.350 -0.002 0.000 0.267 328 E C -1.380 175.353 176.600 0.221 0.000 0.887 328 E CA -0.448 56.029 56.400 0.128 0.000 0.769 328 E CB 1.549 31.367 29.700 0.197 0.000 1.187 328 E HN 0.654 nan 8.360 nan 0.000 0.416 329 I N 2.583 123.275 120.570 0.203 0.000 2.647 329 I HA 0.323 4.491 4.170 -0.002 0.000 0.295 329 I C -0.992 175.260 176.117 0.226 0.000 1.078 329 I CA -0.904 60.540 61.300 0.239 0.000 1.048 329 I CB 2.116 40.217 38.000 0.169 0.000 1.239 329 I HN 0.402 nan 8.210 nan 0.000 0.421 330 Q N 3.417 123.378 119.800 0.268 0.000 2.347 330 Q HA 0.374 4.712 4.340 -0.002 0.000 0.271 330 Q C -0.892 175.237 176.000 0.216 0.000 1.064 330 Q CA -0.937 54.989 55.803 0.206 0.000 0.800 330 Q CB 2.580 31.389 28.738 0.119 0.000 1.304 330 Q HN 0.333 nan 8.270 nan 0.000 0.438 331 K N 2.026 122.476 120.400 0.083 0.000 2.292 331 K HA 0.109 4.428 4.320 -0.002 0.000 0.290 331 K C -0.969 175.488 176.600 -0.238 0.000 1.083 331 K CA -0.039 56.061 56.287 -0.311 0.000 0.918 331 K CB 0.235 32.513 32.500 -0.371 0.000 1.089 331 K HN 0.568 nan 8.250 nan 0.000 0.473 332 Q N 3.754 123.400 119.800 -0.256 0.000 2.425 332 Q HA 0.516 4.855 4.340 -0.002 0.000 0.254 332 Q C 0.188 176.061 176.000 -0.213 0.000 1.032 332 Q CA -0.578 55.126 55.803 -0.165 0.000 0.798 332 Q CB 1.204 29.895 28.738 -0.079 0.000 1.210 332 Q HN 0.756 nan 8.270 nan 0.000 0.491 333 G N 1.970 110.656 108.800 -0.190 0.000 2.741 333 G HA2 -0.212 3.746 3.960 -0.002 0.000 0.222 333 G HA3 -0.212 3.746 3.960 -0.002 0.000 0.222 333 G C -0.932 173.822 174.900 -0.242 0.000 1.364 333 G CA -0.771 44.225 45.100 -0.173 0.000 0.866 333 G HN 0.627 nan 8.290 nan 0.000 0.555 334 Q N 0.735 120.426 119.800 -0.182 0.000 2.256 334 Q HA 0.500 4.839 4.340 -0.002 0.000 0.254 334 Q C 1.315 177.225 176.000 -0.150 0.000 0.916 334 Q CA 0.759 56.458 55.803 -0.173 0.000 0.932 334 Q CB 0.821 29.488 28.738 -0.119 0.000 1.207 334 Q HN 2.433 nan 8.270 nan 0.000 0.426 335 G N 2.769 111.489 108.800 -0.132 0.000 2.196 335 G HA2 -0.307 3.652 3.960 -0.002 0.000 0.268 335 G HA3 -0.307 3.652 3.960 -0.002 0.000 0.268 335 G C 0.053 174.944 174.900 -0.015 0.000 0.975 335 G CA 0.367 45.485 45.100 0.029 0.000 0.648 335 G HN 0.540 nan 8.290 nan 0.000 0.538 336 Q N -1.070 118.559 119.800 -0.285 0.000 2.293 336 Q HA 0.593 4.932 4.340 -0.002 0.000 0.261 336 Q C -0.980 174.757 176.000 -0.439 0.000 0.960 336 Q CA -0.595 55.091 55.803 -0.194 0.000 0.882 336 Q CB 1.218 29.875 28.738 -0.136 0.000 1.275 336 Q HN 0.397 nan 8.270 nan 0.000 0.445 337 W N 0.794 122.198 121.300 0.174 0.000 2.998 337 W HA 0.449 5.107 4.660 -0.003 0.000 0.335 337 W C -0.178 176.466 176.519 0.209 0.000 1.110 337 W CA -0.599 56.860 57.345 0.190 0.000 1.230 337 W CB 2.133 31.731 29.460 0.231 0.000 1.405 337 W HN 0.348 nan 8.180 nan 0.000 0.493 338 T N 2.255 117.029 114.554 0.367 0.000 2.908 338 T HA 0.756 5.104 4.350 -0.002 0.000 0.290 338 T C -1.476 173.412 174.700 0.313 0.000 1.034 338 T CA -0.416 61.830 62.100 0.244 0.000 1.010 338 T CB 0.895 69.822 68.868 0.098 0.000 1.068 338 T HN 0.354 nan 8.240 nan 0.000 0.481 339 Y N 0.757 121.156 120.300 0.165 0.000 2.597 339 Y HA 0.833 5.381 4.550 -0.003 0.000 0.340 339 Y C -1.310 174.671 175.900 0.134 0.000 1.097 339 Y CA -1.289 56.899 58.100 0.147 0.000 1.037 339 Y CB 1.220 39.765 38.460 0.142 0.000 1.305 339 Y HN 0.489 nan 8.280 nan 0.000 0.463 340 Q N 1.991 121.960 119.800 0.280 0.000 2.397 340 Q HA 0.726 5.065 4.340 -0.002 0.000 0.275 340 Q C -1.538 174.603 176.000 0.235 0.000 1.090 340 Q CA -0.635 55.300 55.803 0.221 0.000 0.809 340 Q CB 3.385 32.260 28.738 0.229 0.000 1.362 340 Q HN 0.746 nan 8.270 nan 0.000 0.431 341 I N 2.782 123.471 120.570 0.198 0.000 2.447 341 I HA 0.527 4.696 4.170 -0.002 0.000 0.287 341 I C -1.245 174.883 176.117 0.018 0.000 1.023 341 I CA -1.001 60.303 61.300 0.007 0.000 1.083 341 I CB 0.874 38.905 38.000 0.052 0.000 1.245 341 I HN 0.679 nan 8.210 nan 0.000 0.434 342 Y N 3.309 123.532 120.300 -0.128 0.000 2.677 342 Y HA 0.544 5.092 4.550 -0.003 0.000 0.334 342 Y C -0.051 175.734 175.900 -0.192 0.000 1.154 342 Y CA -0.859 57.162 58.100 -0.131 0.000 1.070 342 Y CB 1.167 39.561 38.460 -0.110 0.000 1.294 342 Y HN 0.427 nan 8.280 nan 0.000 0.475 343 Q N -0.304 119.554 119.800 0.095 0.000 2.422 343 Q HA 0.170 4.509 4.340 -0.002 0.000 0.255 343 Q C -0.522 175.527 176.000 0.082 0.000 0.864 343 Q CA 0.083 55.879 55.803 -0.013 0.000 0.968 343 Q CB 1.367 30.064 28.738 -0.068 0.000 1.130 343 Q HN 0.734 nan 8.270 nan 0.000 0.556 344 E N 2.252 122.511 120.200 0.098 0.000 2.145 344 E HA 0.229 4.578 4.350 -0.002 0.000 0.270 344 E C -2.514 173.945 176.600 -0.234 0.000 0.906 344 E CA -2.605 53.780 56.400 -0.026 0.000 0.761 344 E CB 1.288 30.954 29.700 -0.056 0.000 1.116 344 E HN -0.191 nan 8.360 nan 0.000 0.408 345 P HA -0.151 nan 4.420 nan 0.000 0.214 345 P C -0.859 175.734 177.300 -1.178 0.000 0.970 345 P CA 1.264 63.610 63.100 -1.257 0.000 1.047 345 P CB -0.580 30.623 31.700 -0.828 0.000 1.015 346 F N -0.382 118.996 119.950 -0.954 0.000 1.885 346 F HA -0.171 4.354 4.527 -0.003 0.000 0.376 346 F C 0.762 176.390 175.800 -0.286 0.000 0.551 346 F CA -0.104 57.567 58.000 -0.548 0.000 2.130 346 F CB -1.246 37.538 39.000 -0.360 0.000 2.861 346 F HN 0.190 nan 8.300 nan 0.000 0.243 347 K N 2.296 122.625 120.400 -0.118 0.000 2.180 347 K HA 0.223 4.541 4.320 -0.002 0.000 0.250 347 K C 0.004 176.623 176.600 0.032 0.000 1.135 347 K CA -0.466 55.799 56.287 -0.036 0.000 1.037 347 K CB 0.140 32.619 32.500 -0.034 0.000 1.624 347 K HN 0.033 nan 8.250 nan 0.000 0.382 348 N N 2.012 120.734 118.700 0.037 0.000 2.407 348 N HA -0.046 4.693 4.740 -0.002 0.000 0.250 348 N C 0.940 176.515 175.510 0.110 0.000 1.236 348 N CA 0.125 53.237 53.050 0.104 0.000 0.879 348 N CB 0.672 39.192 38.487 0.055 0.000 1.088 348 N HN 0.274 nan 8.380 nan 0.000 0.450 349 L N 1.413 122.764 121.223 0.213 0.000 2.168 349 L HA 0.123 4.462 4.340 -0.002 0.000 0.203 349 L C 0.898 178.089 176.870 0.534 0.000 1.078 349 L CA 1.258 56.325 54.840 0.379 0.000 0.780 349 L CB -0.239 42.081 42.059 0.434 0.000 0.939 349 L HN 0.654 nan 8.230 nan 0.000 0.451 350 K N -2.431 118.222 120.400 0.422 0.000 2.568 350 K HA 0.469 4.788 4.320 -0.002 0.000 0.273 350 K C -0.974 175.754 176.600 0.213 0.000 0.951 350 K CA -0.615 55.919 56.287 0.411 0.000 0.854 350 K CB 1.662 34.408 32.500 0.409 0.000 1.424 350 K HN -0.281 nan 8.250 nan 0.000 0.427 351 T N -0.001 114.613 114.554 0.100 0.000 2.888 351 T HA 0.822 5.170 4.350 -0.002 0.000 0.283 351 T C -0.244 174.268 174.700 -0.315 0.000 1.013 351 T CA 0.141 62.191 62.100 -0.085 0.000 0.938 351 T CB 1.233 70.058 68.868 -0.071 0.000 1.298 351 T HN 0.888 nan 8.240 nan 0.000 0.580 352 G N 0.263 108.675 108.800 -0.647 0.000 2.361 352 G HA2 0.505 4.463 3.960 -0.002 0.000 0.299 352 G HA3 0.505 4.463 3.960 -0.002 0.000 0.299 352 G C -1.979 172.530 174.900 -0.653 0.000 1.544 352 G CA -0.921 43.691 45.100 -0.814 0.000 0.860 352 G HN 0.766 nan 8.290 nan 0.000 0.610 353 K N -1.022 119.333 120.400 -0.074 0.000 2.433 353 K HA 0.855 5.174 4.320 -0.002 0.000 0.252 353 K C -1.817 175.037 176.600 0.423 0.000 1.015 353 K CA -1.318 55.075 56.287 0.177 0.000 0.860 353 K CB 2.943 35.506 32.500 0.105 0.000 1.359 353 K HN 0.953 nan 8.250 nan 0.000 0.452 354 Y N -0.333 120.140 120.300 0.289 0.000 2.287 354 Y HA 0.478 5.026 4.550 -0.002 0.000 0.321 354 Y C -1.318 174.760 175.900 0.297 0.000 1.173 354 Y CA -0.329 57.937 58.100 0.276 0.000 1.124 354 Y CB 1.849 40.472 38.460 0.271 0.000 1.201 354 Y HN 0.837 nan 8.280 nan 0.000 0.421 355 A N 5.134 127.835 122.820 -0.198 0.000 2.551 355 A HA 0.348 4.666 4.320 -0.002 0.000 0.252 355 A C -0.002 177.400 177.584 -0.302 0.000 1.199 355 A CA -0.392 51.586 52.037 -0.098 0.000 0.972 355 A CB 0.264 19.253 19.000 -0.018 0.000 1.153 355 A HN 0.472 nan 8.150 nan 0.000 0.559 356 R N 0.731 120.812 120.500 -0.698 0.000 2.421 356 R HA 0.368 4.707 4.340 -0.002 0.000 0.305 356 R C -0.983 175.140 176.300 -0.295 0.000 1.039 356 R CA 0.348 56.174 56.100 -0.458 0.000 1.003 356 R CB -0.215 29.840 30.300 -0.407 0.000 0.959 356 R HN 0.367 nan 8.270 nan 0.000 0.427 357 M N 1.083 120.637 119.600 -0.078 0.000 2.167 357 M HA 0.360 4.838 4.480 -0.002 0.000 0.218 357 M C 0.170 176.483 176.300 0.023 0.000 0.968 357 M CA -0.528 54.791 55.300 0.033 0.000 1.004 357 M CB 1.325 33.978 32.600 0.089 0.000 2.485 357 M HN 0.167 nan 8.290 nan 0.000 0.404 358 R N 1.409 121.926 120.500 0.028 0.000 2.280 358 R HA 0.356 4.694 4.340 -0.002 0.000 0.207 358 R C 0.800 177.113 176.300 0.022 0.000 1.043 358 R CA 0.774 56.886 56.100 0.020 0.000 1.006 358 R CB -0.097 30.220 30.300 0.028 0.000 0.885 358 R HN 0.942 nan 8.270 nan 0.000 0.467 359 G N -0.870 107.952 108.800 0.036 0.000 2.380 359 G HA2 0.258 4.216 3.960 -0.002 0.000 0.242 359 G HA3 0.258 4.216 3.960 -0.002 0.000 0.242 359 G C 0.827 175.707 174.900 -0.034 0.000 1.298 359 G CA 0.105 45.225 45.100 0.034 0.000 0.878 359 G HN 0.319 nan 8.290 nan 0.000 0.542 360 A N 2.329 125.084 122.820 -0.108 0.000 1.933 360 A HA 0.097 4.415 4.320 -0.002 0.000 0.218 360 A C 0.935 178.201 177.584 -0.529 0.000 1.175 360 A CA 1.153 52.983 52.037 -0.345 0.000 0.628 360 A CB -0.296 18.426 19.000 -0.464 0.000 0.814 360 A HN 0.793 nan 8.150 nan 0.000 0.444 361 H N -2.920 116.191 119.070 0.068 0.000 2.717 361 H HA 0.685 5.240 4.556 -0.002 0.000 0.366 361 H C -0.533 174.836 175.328 0.068 0.000 1.132 361 H CA -0.004 56.080 56.048 0.059 0.000 1.180 361 H CB 1.948 31.744 29.762 0.057 0.000 1.678 361 H HN 0.120 nan 8.280 nan 0.000 0.537 362 T N 1.429 116.079 114.554 0.161 0.000 2.775 362 T HA 0.324 4.673 4.350 -0.002 0.000 0.320 362 T C -1.579 173.143 174.700 0.036 0.000 1.597 362 T CA -0.967 61.184 62.100 0.086 0.000 1.022 362 T CB 1.089 69.999 68.868 0.070 0.000 1.485 362 T HN 0.891 nan 8.240 nan 0.000 0.494 363 N N 0.755 119.423 118.700 -0.053 0.000 2.577 363 N HA 0.481 5.220 4.740 -0.002 0.000 0.285 363 N C 0.251 175.713 175.510 -0.081 0.000 1.309 363 N CA -0.666 52.328 53.050 -0.092 0.000 0.798 363 N CB 0.449 38.799 38.487 -0.229 0.000 1.463 363 N HN 0.361 nan 8.380 nan 0.000 0.518 364 D N -0.363 120.042 120.400 0.009 0.000 2.117 364 D HA -0.086 4.552 4.640 -0.002 0.000 0.197 364 D C 1.637 177.894 176.300 -0.071 0.000 0.987 364 D CA 1.117 55.217 54.000 0.166 0.000 0.829 364 D CB -0.181 40.801 40.800 0.304 0.000 0.961 364 D HN 0.359 nan 8.370 nan 0.000 0.460 365 V N 0.788 120.516 119.914 -0.310 0.000 2.594 365 V HA -0.218 3.901 4.120 -0.002 0.000 0.253 365 V C 2.157 177.995 176.094 -0.426 0.000 1.069 365 V CA 1.491 63.530 62.300 -0.435 0.000 1.082 365 V CB -0.356 30.971 31.823 -0.826 0.000 0.680 365 V HN 0.167 nan 8.190 nan 0.000 0.469 366 K N -0.330 119.794 120.400 -0.459 0.000 2.044 366 K HA -0.082 4.236 4.320 -0.002 0.000 0.204 366 K C 2.315 178.779 176.600 -0.227 0.000 1.049 366 K CA 0.984 57.107 56.287 -0.273 0.000 0.945 366 K CB -0.235 32.137 32.500 -0.214 0.000 0.724 366 K HN 0.446 nan 8.250 nan 0.000 0.440 367 Q N 0.784 120.462 119.800 -0.203 0.000 2.077 367 Q HA -0.184 4.154 4.340 -0.002 0.000 0.206 367 Q C 2.149 177.680 176.000 -0.782 0.000 0.989 367 Q CA 1.192 56.840 55.803 -0.259 0.000 0.853 367 Q CB -0.235 28.558 28.738 0.092 0.000 0.907 367 Q HN 0.285 nan 8.270 nan 0.000 0.418 368 L N 0.813 121.494 121.223 -0.904 0.000 2.012 368 L HA -0.174 4.165 4.340 -0.002 0.000 0.210 368 L C 1.993 178.428 176.870 -0.724 0.000 1.073 368 L CA 2.024 56.223 54.840 -1.068 0.000 0.748 368 L CB -1.044 40.598 42.059 -0.695 0.000 0.891 368 L HN 0.306 nan 8.230 nan 0.000 0.431 369 T N -0.349 113.946 114.554 -0.430 0.000 2.788 369 T HA -0.185 4.164 4.350 -0.002 0.000 0.268 369 T C 1.671 176.154 174.700 -0.362 0.000 1.044 369 T CA 1.501 63.426 62.100 -0.291 0.000 1.139 369 T CB -0.152 68.749 68.868 0.056 0.000 0.867 369 T HN 0.443 nan 8.240 nan 0.000 0.454 370 E N 1.336 121.316 120.200 -0.367 0.000 2.051 370 E HA -0.054 4.294 4.350 -0.002 0.000 0.192 370 E C 2.654 178.893 176.600 -0.603 0.000 0.991 370 E CA 0.994 57.196 56.400 -0.329 0.000 0.799 370 E CB -0.308 29.303 29.700 -0.147 0.000 0.748 370 E HN 0.489 nan 8.360 nan 0.000 0.449 371 A N 1.046 123.227 122.820 -1.066 0.000 1.892 371 A HA -0.199 4.120 4.320 -0.002 0.000 0.218 371 A C 2.538 179.691 177.584 -0.719 0.000 1.188 371 A CA 1.531 52.809 52.037 -1.264 0.000 0.631 371 A CB -0.898 17.367 19.000 -1.224 0.000 0.822 371 A HN 0.141 nan 8.150 nan 0.000 0.447 372 V N -0.193 119.307 119.914 -0.691 0.000 2.392 372 V HA -0.300 3.818 4.120 -0.002 0.000 0.249 372 V C 2.759 178.536 176.094 -0.530 0.000 1.059 372 V CA 2.458 64.305 62.300 -0.755 0.000 1.051 372 V CB -0.740 30.482 31.823 -1.001 0.000 0.658 372 V HN 0.724 nan 8.190 nan 0.000 0.455 373 Q N 0.481 120.045 119.800 -0.392 0.000 2.050 373 Q HA -0.221 4.118 4.340 -0.002 0.000 0.202 373 Q C 2.121 178.035 176.000 -0.144 0.000 0.980 373 Q CA 1.979 57.653 55.803 -0.215 0.000 0.840 373 Q CB -0.350 28.302 28.738 -0.143 0.000 0.898 373 Q HN 0.480 nan 8.270 nan 0.000 0.424 374 K N 0.090 120.389 120.400 -0.168 0.000 2.001 374 K HA -0.111 4.207 4.320 -0.002 0.000 0.214 374 K C 1.940 178.480 176.600 -0.099 0.000 1.050 374 K CA 1.876 58.113 56.287 -0.083 0.000 0.934 374 K CB -0.619 31.864 32.500 -0.028 0.000 0.718 374 K HN 0.325 nan 8.250 nan 0.000 0.443 375 I N 0.199 120.650 120.570 -0.200 0.000 2.151 375 I HA -0.377 3.792 4.170 -0.002 0.000 0.243 375 I C 2.043 178.183 176.117 0.038 0.000 1.080 375 I CA 1.760 62.964 61.300 -0.161 0.000 1.339 375 I CB -0.640 37.238 38.000 -0.203 0.000 1.039 375 I HN 0.269 nan 8.210 nan 0.000 0.409 376 T N -0.343 114.269 114.554 0.098 0.000 2.570 376 T HA -0.324 4.025 4.350 -0.002 0.000 0.266 376 T C 2.007 176.749 174.700 0.070 0.000 1.071 376 T CA 2.606 64.787 62.100 0.135 0.000 1.172 376 T CB -0.618 68.286 68.868 0.061 0.000 0.864 376 T HN 0.506 nan 8.240 nan 0.000 0.421 377 T N 0.880 115.451 114.554 0.027 0.000 2.746 377 T HA -0.155 4.193 4.350 -0.002 0.000 0.267 377 T C 1.934 176.635 174.700 0.003 0.000 1.039 377 T CA 2.081 64.194 62.100 0.022 0.000 1.142 377 T CB -0.388 68.490 68.868 0.017 0.000 0.866 377 T HN 0.620 nan 8.240 nan 0.000 0.444 378 E N -0.256 119.938 120.200 -0.011 0.000 2.160 378 E HA -0.124 4.224 4.350 -0.002 0.000 0.195 378 E C 2.284 178.832 176.600 -0.086 0.000 0.991 378 E CA 1.316 57.686 56.400 -0.051 0.000 0.810 378 E CB -0.428 29.249 29.700 -0.038 0.000 0.742 378 E HN 0.535 nan 8.360 nan 0.000 0.466 379 S N -0.325 115.392 115.700 0.029 0.000 2.387 379 S HA -0.050 4.418 4.470 -0.002 0.000 0.226 379 S C 1.862 176.517 174.600 0.091 0.000 1.026 379 S CA 0.515 58.817 58.200 0.170 0.000 0.972 379 S CB -0.078 63.266 63.200 0.240 0.000 0.814 379 S HN 0.284 nan 8.310 nan 0.000 0.477 380 I N 1.321 121.917 120.570 0.044 0.000 2.127 380 I HA -0.099 4.070 4.170 -0.002 0.000 0.241 380 I C 2.526 178.626 176.117 -0.029 0.000 1.075 380 I CA 1.176 62.494 61.300 0.029 0.000 1.334 380 I CB -1.541 36.480 38.000 0.035 0.000 1.040 380 I HN 0.262 nan 8.210 nan 0.000 0.405 381 V N 1.115 120.985 119.914 -0.072 0.000 2.358 381 V HA -0.211 3.907 4.120 -0.002 0.000 0.246 381 V C 2.376 178.345 176.094 -0.208 0.000 1.047 381 V CA 1.497 63.736 62.300 -0.101 0.000 1.035 381 V CB -0.085 31.690 31.823 -0.080 0.000 0.658 381 V HN 0.258 nan 8.190 nan 0.000 0.452 382 I N -1.073 119.266 120.570 -0.385 0.000 2.163 382 I HA -0.171 3.997 4.170 -0.002 0.000 0.240 382 I C 2.202 177.871 176.117 -0.745 0.000 1.081 382 I CA 2.039 62.894 61.300 -0.742 0.000 1.353 382 I CB -0.394 36.767 38.000 -1.398 0.000 1.054 382 I HN 0.402 nan 8.210 nan 0.000 0.407 383 W N -0.111 121.028 121.300 -0.269 0.000 2.975 383 W HA 0.342 5.000 4.660 -0.003 0.000 0.316 383 W C 1.648 178.027 176.519 -0.233 0.000 1.131 383 W CA 0.723 57.802 57.345 -0.443 0.000 1.624 383 W CB -0.322 28.744 29.460 -0.656 0.000 1.038 383 W HN 0.382 nan 8.180 nan 0.000 0.571 384 G N 1.963 110.786 108.800 0.037 0.000 2.189 384 G HA2 -0.339 3.619 3.960 -0.002 0.000 0.267 384 G HA3 -0.339 3.619 3.960 -0.002 0.000 0.267 384 G C 0.345 175.295 174.900 0.083 0.000 0.975 384 G CA 1.244 46.375 45.100 0.052 0.000 0.644 384 G HN 0.385 nan 8.290 nan 0.000 0.537 385 K N -1.120 119.345 120.400 0.108 0.000 2.395 385 K HA 0.774 5.093 4.320 -0.002 0.000 0.245 385 K C -0.772 175.880 176.600 0.086 0.000 1.017 385 K CA -0.525 55.818 56.287 0.093 0.000 0.852 385 K CB 1.708 34.265 32.500 0.095 0.000 1.311 385 K HN 0.056 nan 8.250 nan 0.000 0.452 386 T N 1.933 116.524 114.554 0.061 0.000 2.875 386 T HA 0.467 4.815 4.350 -0.002 0.000 0.284 386 T C -2.454 172.221 174.700 -0.043 0.000 0.995 386 T CA -1.898 60.233 62.100 0.051 0.000 1.060 386 T CB 1.044 69.966 68.868 0.091 0.000 0.967 386 T HN 0.544 nan 8.240 nan 0.000 0.476 387 P HA 0.383 nan 4.420 nan 0.000 0.282 387 P C -1.016 176.034 177.300 -0.418 0.000 1.259 387 P CA -0.808 62.062 63.100 -0.383 0.000 0.826 387 P CB 0.701 32.020 31.700 -0.635 0.000 1.064 388 K N 1.780 121.946 120.400 -0.389 0.000 2.276 388 K HA 0.335 4.653 4.320 -0.002 0.000 0.283 388 K C -0.280 176.079 176.600 -0.402 0.000 1.044 388 K CA -0.059 56.069 56.287 -0.265 0.000 0.944 388 K CB 0.137 32.518 32.500 -0.198 0.000 1.012 388 K HN 0.400 nan 8.250 nan 0.000 0.472 389 F N 1.698 121.607 119.950 -0.067 0.000 2.421 389 F HA 0.287 4.814 4.527 -0.001 0.000 0.337 389 F C 0.693 176.504 175.800 0.017 0.000 1.105 389 F CA -0.558 57.413 58.000 -0.050 0.000 1.049 389 F CB 1.408 40.364 39.000 -0.073 0.000 1.139 389 F HN 0.143 nan 8.300 nan 0.000 0.479 390 K N 5.216 125.710 120.400 0.157 0.000 2.339 390 K HA 0.640 4.959 4.320 -0.002 0.000 0.264 390 K C -1.221 175.469 176.600 0.149 0.000 0.986 390 K CA -0.429 55.938 56.287 0.133 0.000 0.866 390 K CB 1.505 34.033 32.500 0.045 0.000 1.103 390 K HN 0.510 nan 8.250 nan 0.000 0.441 391 L N 3.940 125.277 121.223 0.190 0.000 2.370 391 L HA 0.477 4.815 4.340 -0.002 0.000 0.266 391 L C -2.135 174.788 176.870 0.088 0.000 1.002 391 L CA -2.310 52.582 54.840 0.086 0.000 0.818 391 L CB 2.167 44.148 42.059 -0.130 0.000 1.325 391 L HN 0.425 nan 8.230 nan 0.000 0.418 392 P HA 0.235 nan 4.420 nan 0.000 0.218 392 P C -0.620 176.835 177.300 0.258 0.000 1.793 392 P CA 0.362 63.525 63.100 0.104 0.000 0.941 392 P CB 0.255 32.028 31.700 0.122 0.000 1.919 393 I N 0.215 121.025 120.570 0.399 0.000 2.644 393 I HA 0.188 4.357 4.170 -0.002 0.000 0.291 393 I C -0.542 175.913 176.117 0.564 0.000 1.180 393 I CA -0.890 60.635 61.300 0.375 0.000 1.040 393 I CB 2.665 40.739 38.000 0.124 0.000 1.255 393 I HN -0.174 nan 8.210 nan 0.000 0.422 394 Q N 5.973 125.924 119.800 0.252 0.000 2.300 394 Q HA -0.015 4.324 4.340 -0.002 0.000 0.280 394 Q C 0.812 176.983 176.000 0.285 0.000 1.033 394 Q CA 0.140 55.945 55.803 0.003 0.000 0.903 394 Q CB 0.804 29.444 28.738 -0.163 0.000 1.195 394 Q HN 0.657 nan 8.270 nan 0.000 0.386 395 K N 1.485 122.024 120.400 0.231 0.000 2.360 395 K HA -0.187 4.132 4.320 -0.002 0.000 0.201 395 K C 0.628 177.396 176.600 0.281 0.000 1.046 395 K CA 1.605 58.081 56.287 0.313 0.000 0.945 395 K CB 0.213 32.639 32.500 -0.122 0.000 0.750 395 K HN 0.384 nan 8.250 nan 0.000 0.464 396 E N 0.654 120.940 120.200 0.143 0.000 2.060 396 E HA -0.094 4.254 4.350 -0.002 0.000 0.189 396 E C 1.891 178.582 176.600 0.153 0.000 0.974 396 E CA 1.494 57.960 56.400 0.110 0.000 0.808 396 E CB -0.080 29.635 29.700 0.025 0.000 0.768 396 E HN 0.366 nan 8.360 nan 0.000 0.453 397 T N -0.147 114.496 114.554 0.148 0.000 3.155 397 T HA -0.128 4.220 4.350 -0.002 0.000 0.264 397 T C 0.890 175.736 174.700 0.244 0.000 1.160 397 T CA 0.613 62.797 62.100 0.140 0.000 1.075 397 T CB -0.203 68.709 68.868 0.073 0.000 0.921 397 T HN 0.416 nan 8.240 nan 0.000 0.533 398 W N 0.523 121.906 121.300 0.138 0.000 2.699 398 W HA 0.134 4.793 4.660 -0.001 0.000 0.267 398 W C 1.481 178.154 176.519 0.257 0.000 1.182 398 W CA 0.190 57.641 57.345 0.175 0.000 1.453 398 W CB 0.161 29.719 29.460 0.164 0.000 1.054 398 W HN 0.179 nan 8.180 nan 0.000 0.595 399 E N 0.896 121.255 120.200 0.265 0.000 2.038 399 E HA -0.184 4.165 4.350 -0.002 0.000 0.195 399 E C 1.943 178.597 176.600 0.091 0.000 1.000 399 E CA 2.320 58.772 56.400 0.087 0.000 0.803 399 E CB -1.074 28.669 29.700 0.070 0.000 0.750 399 E HN 0.139 nan 8.360 nan 0.000 0.448 400 T N 1.689 116.307 114.554 0.107 0.000 2.594 400 T HA -0.240 4.108 4.350 -0.002 0.000 0.266 400 T C 1.335 176.096 174.700 0.102 0.000 1.070 400 T CA 1.903 64.063 62.100 0.101 0.000 1.166 400 T CB -0.542 68.390 68.868 0.106 0.000 0.862 400 T HN 0.427 nan 8.240 nan 0.000 0.436 401 W N 0.796 122.033 121.300 -0.104 0.000 2.352 401 W HA -0.164 4.495 4.660 -0.002 0.000 0.322 401 W C 2.379 178.791 176.519 -0.179 0.000 1.208 401 W CA 1.359 58.584 57.345 -0.199 0.000 1.286 401 W CB -0.788 28.470 29.460 -0.338 0.000 1.167 401 W HN 0.421 nan 8.180 nan 0.000 0.469 402 W N 2.077 123.082 121.300 -0.492 0.000 2.262 402 W HA -0.345 4.313 4.660 -0.002 0.000 0.331 402 W C 1.776 178.098 176.519 -0.328 0.000 1.315 402 W CA 3.437 60.477 57.345 -0.508 0.000 1.302 402 W CB -1.234 27.945 29.460 -0.469 0.000 1.128 402 W HN -0.088 nan 8.180 nan 0.000 0.482 403 T N 0.633 115.363 114.554 0.292 0.000 2.896 403 T HA -0.138 4.211 4.350 -0.002 0.000 0.263 403 T C 1.526 176.207 174.700 -0.031 0.000 1.050 403 T CA 1.799 64.052 62.100 0.256 0.000 1.140 403 T CB -0.234 68.795 68.868 0.268 0.000 0.877 403 T HN 0.112 nan 8.240 nan 0.000 0.457 404 E N -0.246 119.886 120.200 -0.115 0.000 2.230 404 E HA 0.132 4.481 4.350 -0.002 0.000 0.192 404 E C 0.288 176.743 176.600 -0.242 0.000 0.987 404 E CA -0.004 56.312 56.400 -0.141 0.000 0.841 404 E CB 0.011 29.648 29.700 -0.104 0.000 0.783 404 E HN 0.578 nan 8.360 nan 0.000 0.481 405 Y N 0.385 120.258 120.300 -0.712 0.000 2.578 405 Y HA -0.140 4.408 4.550 -0.002 0.000 0.339 405 Y C 0.847 176.416 175.900 -0.551 0.000 1.231 405 Y CA -0.423 57.114 58.100 -0.938 0.000 1.461 405 Y CB 0.458 38.022 38.460 -1.493 0.000 1.323 405 Y HN 0.201 nan 8.280 nan 0.000 0.590 406 W N 2.335 123.109 121.300 -0.877 0.000 3.139 406 W HA 0.133 4.792 4.660 -0.002 0.000 0.260 406 W C -0.311 175.807 176.519 -0.669 0.000 1.312 406 W CA -0.203 56.758 57.345 -0.641 0.000 1.606 406 W CB -0.452 28.715 29.460 -0.489 0.000 1.118 406 W HN 0.471 nan 8.180 nan 0.000 0.675 407 Q N 1.406 120.495 119.800 -1.184 0.000 2.222 407 Q HA 0.560 4.899 4.340 -0.002 0.000 0.252 407 Q C -0.338 175.398 176.000 -0.440 0.000 0.926 407 Q CA -0.166 55.210 55.803 -0.711 0.000 0.899 407 Q CB 1.769 30.008 28.738 -0.831 0.000 1.250 407 Q HN 0.089 nan 8.270 nan 0.000 0.441 408 A N 2.579 125.229 122.820 -0.283 0.000 2.362 408 A HA 0.596 4.915 4.320 -0.002 0.000 0.276 408 A C -0.474 176.980 177.584 -0.217 0.000 1.153 408 A CA -0.138 51.731 52.037 -0.279 0.000 0.813 408 A CB 0.327 19.219 19.000 -0.180 0.000 1.081 408 A HN 0.747 nan 8.150 nan 0.000 0.507 409 T N 1.856 116.217 114.554 -0.320 0.000 2.883 409 T HA 0.759 5.108 4.350 -0.002 0.000 0.284 409 T C -0.904 173.898 174.700 0.170 0.000 1.041 409 T CA -0.441 61.609 62.100 -0.084 0.000 1.007 409 T CB 1.355 70.195 68.868 -0.046 0.000 1.220 409 T HN 0.874 nan 8.240 nan 0.000 0.552 410 W N 1.557 122.952 121.300 0.158 0.000 3.890 410 W HA 0.327 4.986 4.660 -0.002 0.000 0.298 410 W C -2.586 174.080 176.519 0.245 0.000 1.165 410 W CA -0.626 56.923 57.345 0.339 0.000 1.343 410 W CB 0.331 29.924 29.460 0.222 0.000 1.067 410 W HN 0.522 nan 8.180 nan 0.000 0.398 411 I N 7.279 127.620 120.570 -0.383 0.000 2.396 411 I HA 0.252 4.420 4.170 -0.002 0.000 0.292 411 I C -1.451 174.135 176.117 -0.885 0.000 0.999 411 I CA -1.831 59.093 61.300 -0.626 0.000 1.310 411 I CB 1.289 38.832 38.000 -0.762 0.000 1.404 411 I HN 0.106 nan 8.210 nan 0.000 0.496 412 P HA -0.063 nan 4.420 nan 0.000 0.272 412 P C -0.395 176.866 177.300 -0.065 0.000 1.248 412 P CA -0.357 62.620 63.100 -0.205 0.000 0.799 412 P CB 0.355 32.109 31.700 0.091 0.000 0.997 413 E N 1.138 121.351 120.200 0.022 0.000 2.729 413 E HA -0.047 4.301 4.350 -0.002 0.000 0.246 413 E C -0.531 176.153 176.600 0.140 0.000 0.984 413 E CA 0.113 56.531 56.400 0.030 0.000 0.951 413 E CB 0.028 29.733 29.700 0.009 0.000 0.914 413 E HN 0.332 nan 8.360 nan 0.000 0.509 414 W N 3.674 124.896 121.300 -0.131 0.000 3.165 414 W HA 0.614 5.272 4.660 -0.003 0.000 0.351 414 W C -1.218 175.238 176.519 -0.103 0.000 1.164 414 W CA -0.973 56.313 57.345 -0.098 0.000 1.074 414 W CB 0.427 29.770 29.460 -0.196 0.000 1.499 414 W HN 0.570 nan 8.180 nan 0.000 0.600 415 E N 0.378 120.530 120.200 -0.081 0.000 2.388 415 E HA 0.315 4.664 4.350 -0.002 0.000 0.281 415 E C -2.163 174.466 176.600 0.049 0.000 1.046 415 E CA -0.790 55.386 56.400 -0.373 0.000 0.825 415 E CB 2.008 31.570 29.700 -0.230 0.000 1.243 415 E HN 0.238 nan 8.360 nan 0.000 0.438 416 F N 2.589 122.457 119.950 -0.135 0.000 2.572 416 F HA 0.344 4.870 4.527 -0.002 0.000 0.370 416 F C -0.626 175.220 175.800 0.076 0.000 1.103 416 F CA 0.233 58.285 58.000 0.088 0.000 1.286 416 F CB 1.207 40.225 39.000 0.029 0.000 1.105 416 F HN 0.325 nan 8.300 nan 0.000 0.583 417 V N 7.400 126.825 119.914 -0.815 0.000 2.569 417 V HA 0.312 4.431 4.120 -0.002 0.000 0.301 417 V C -0.799 174.679 176.094 -1.027 0.000 1.044 417 V CA -0.833 61.027 62.300 -0.733 0.000 0.874 417 V CB 1.540 33.219 31.823 -0.240 0.000 1.002 417 V HN 0.864 nan 8.190 nan 0.000 0.424 418 N N 4.440 122.647 118.700 -0.821 0.000 2.895 418 N HA 0.236 4.975 4.740 -0.002 0.000 0.277 418 N C -0.353 175.085 175.510 -0.121 0.000 1.185 418 N CA 0.017 52.836 53.050 -0.385 0.000 1.106 418 N CB 0.215 38.714 38.487 0.020 0.000 1.422 418 N HN 0.844 nan 8.380 nan 0.000 0.521 419 T N 0.783 115.278 114.554 -0.098 0.000 3.060 419 T HA 0.314 4.663 4.350 -0.002 0.000 0.367 419 T C -2.554 172.158 174.700 0.020 0.000 1.229 419 T CA -1.733 60.355 62.100 -0.021 0.000 1.104 419 T CB 1.196 70.057 68.868 -0.012 0.000 1.083 419 T HN 0.191 nan 8.240 nan 0.000 0.524 420 P HA 0.154 nan 4.420 nan 0.000 0.267 420 P C -2.163 175.155 177.300 0.031 0.000 1.201 420 P CA -0.853 62.276 63.100 0.047 0.000 0.775 420 P CB -0.237 31.488 31.700 0.042 0.000 0.854 421 P HA 0.165 nan 4.420 nan 0.000 0.281 421 P C -0.364 176.987 177.300 0.086 0.000 1.252 421 P CA 0.063 63.199 63.100 0.059 0.000 0.778 421 P CB 0.625 32.359 31.700 0.057 0.000 0.895 422 L N 2.312 123.596 121.223 0.102 0.000 2.479 422 L HA 0.346 4.685 4.340 -0.002 0.000 0.248 422 L C 0.605 177.551 176.870 0.128 0.000 1.205 422 L CA -0.991 53.933 54.840 0.140 0.000 0.817 422 L CB 0.240 42.399 42.059 0.166 0.000 1.162 422 L HN 0.126 nan 8.230 nan 0.000 0.486 423 V N 1.103 121.105 119.914 0.147 0.000 2.483 423 V HA 0.543 4.662 4.120 -0.002 0.000 0.295 423 V C -0.081 176.023 176.094 0.016 0.000 1.035 423 V CA -0.501 61.877 62.300 0.130 0.000 0.896 423 V CB 1.514 33.441 31.823 0.174 0.000 0.986 423 V HN 0.813 nan 8.190 nan 0.000 0.447 424 K N 4.037 124.388 120.400 -0.081 0.000 2.607 424 K HA 0.384 4.703 4.320 -0.002 0.000 0.287 424 K C -1.946 174.497 176.600 -0.263 0.000 0.996 424 K CA -0.832 55.334 56.287 -0.202 0.000 0.876 424 K CB 1.459 33.776 32.500 -0.304 0.000 1.496 424 K HN 0.311 nan 8.250 nan 0.000 0.415 425 L N 1.773 122.867 121.223 -0.215 0.000 2.410 425 L HA 0.159 4.498 4.340 -0.002 0.000 0.273 425 L C 0.502 177.258 176.870 -0.190 0.000 1.144 425 L CA 0.371 55.104 54.840 -0.178 0.000 0.863 425 L CB -0.509 41.464 42.059 -0.143 0.000 1.140 425 L HN 0.704 nan 8.230 nan 0.000 0.463 426 W N 4.976 126.205 121.300 -0.118 0.000 3.400 426 W HA 0.193 4.851 4.660 -0.002 0.000 0.347 426 W C -0.192 176.447 176.519 0.200 0.000 1.218 426 W CA -0.188 57.185 57.345 0.046 0.000 1.837 426 W CB -0.322 29.206 29.460 0.113 0.000 1.067 426 W HN 0.555 nan 8.180 nan 0.000 0.701 427 Y N -2.495 117.905 120.300 0.167 0.000 2.705 427 Y HA 0.265 4.813 4.550 -0.002 0.000 0.367 427 Y C -1.437 174.527 175.900 0.108 0.000 1.211 427 Y CA -1.814 56.359 58.100 0.122 0.000 1.375 427 Y CB 0.011 38.549 38.460 0.129 0.000 1.404 427 Y HN -0.241 nan 8.280 nan 0.000 0.514 428 Q N 3.488 123.429 119.800 0.236 0.000 2.340 428 Q HA 0.556 4.894 4.340 -0.002 0.000 0.268 428 Q C -0.983 175.159 176.000 0.236 0.000 1.031 428 Q CA -0.940 54.961 55.803 0.163 0.000 0.804 428 Q CB 2.909 31.708 28.738 0.103 0.000 1.286 428 Q HN 0.892 nan 8.270 nan 0.000 0.448 429 L N 2.211 123.565 121.223 0.219 0.000 2.397 429 L HA 0.173 4.512 4.340 -0.002 0.000 0.271 429 L C 0.855 177.820 176.870 0.158 0.000 1.148 429 L CA -0.388 54.559 54.840 0.178 0.000 0.825 429 L CB 0.457 42.597 42.059 0.134 0.000 1.117 429 L HN 0.355 nan 8.230 nan 0.000 0.456 430 E N 2.442 122.757 120.200 0.192 0.000 2.413 430 E HA -0.010 4.338 4.350 -0.002 0.000 0.263 430 E C 0.389 177.187 176.600 0.329 0.000 1.015 430 E CA 0.183 56.736 56.400 0.255 0.000 0.916 430 E CB 0.931 30.820 29.700 0.316 0.000 0.947 430 E HN 0.437 nan 8.360 nan 0.000 0.440 431 K N 1.157 121.705 120.400 0.246 0.000 2.262 431 K HA -0.025 4.294 4.320 -0.002 0.000 0.200 431 K C 0.739 177.516 176.600 0.295 0.000 1.049 431 K CA 0.591 57.019 56.287 0.235 0.000 0.979 431 K CB 0.367 32.946 32.500 0.131 0.000 0.773 431 K HN 0.484 nan 8.250 nan 0.000 0.474 432 E N 0.708 120.993 120.200 0.143 0.000 2.359 432 E HA 0.358 4.707 4.350 -0.002 0.000 0.266 432 E C -3.009 173.203 176.600 -0.647 0.000 0.920 432 E CA -3.014 53.296 56.400 -0.151 0.000 0.788 432 E CB 0.681 30.326 29.700 -0.091 0.000 1.279 432 E HN -0.293 nan 8.360 nan 0.000 0.438 433 P HA 0.125 nan 4.420 nan 0.000 0.270 433 P C -0.389 176.701 177.300 -0.350 0.000 1.227 433 P CA 0.180 62.758 63.100 -0.870 0.000 0.788 433 P CB 0.345 31.750 31.700 -0.491 0.000 0.926 434 I N 0.103 120.558 120.570 -0.192 0.000 2.412 434 I HA 0.254 4.422 4.170 -0.002 0.000 0.296 434 I C -0.155 175.934 176.117 -0.048 0.000 0.987 434 I CA -1.191 60.066 61.300 -0.071 0.000 1.180 434 I CB 1.547 39.543 38.000 -0.006 0.000 1.340 434 I HN -0.043 nan 8.210 nan 0.000 0.455 435 V N 4.250 124.145 119.914 -0.032 0.000 2.583 435 V HA 0.382 4.501 4.120 -0.002 0.000 0.287 435 V C 1.179 177.272 176.094 -0.002 0.000 1.051 435 V CA -0.069 62.221 62.300 -0.018 0.000 1.010 435 V CB 0.724 32.538 31.823 -0.016 0.000 0.988 435 V HN 1.136 nan 8.190 nan 0.000 0.478 436 G N 3.210 112.013 108.800 0.005 0.000 2.225 436 G HA2 -0.049 3.910 3.960 -0.002 0.000 0.267 436 G HA3 -0.049 3.910 3.960 -0.002 0.000 0.267 436 G C 0.205 175.119 174.900 0.023 0.000 1.024 436 G CA 0.220 45.328 45.100 0.014 0.000 0.784 436 G HN 1.589 nan 8.290 nan 0.000 0.507 437 A N -0.117 122.719 122.820 0.027 0.000 2.303 437 A HA 0.694 5.013 4.320 -0.002 0.000 0.320 437 A C 0.431 178.059 177.584 0.072 0.000 1.192 437 A CA -0.489 51.576 52.037 0.046 0.000 0.821 437 A CB 0.757 19.781 19.000 0.040 0.000 1.188 437 A HN 0.390 nan 8.150 nan 0.000 0.492 438 E N 1.428 121.694 120.200 0.109 0.000 2.608 438 E HA 0.031 4.379 4.350 -0.002 0.000 0.259 438 E C -0.362 176.360 176.600 0.202 0.000 0.951 438 E CA 0.862 57.353 56.400 0.152 0.000 0.945 438 E CB 0.383 30.254 29.700 0.285 0.000 0.916 438 E HN 0.568 nan 8.360 nan 0.000 0.477 439 T N 4.280 118.897 114.554 0.106 0.000 2.744 439 T HA 0.298 4.646 4.350 -0.002 0.000 0.291 439 T C -0.521 174.201 174.700 0.036 0.000 0.957 439 T CA -0.368 61.779 62.100 0.079 0.000 1.002 439 T CB 0.022 68.908 68.868 0.031 0.000 0.919 439 T HN 0.172 nan 8.240 nan 0.000 0.468 440 F N 3.185 123.056 119.950 -0.132 0.000 2.332 440 F HA 0.365 4.891 4.527 -0.002 0.000 0.368 440 F C -0.229 175.489 175.800 -0.136 0.000 1.110 440 F CA -1.415 56.535 58.000 -0.083 0.000 1.087 440 F CB 0.540 39.439 39.000 -0.167 0.000 1.235 440 F HN 0.536 nan 8.300 nan 0.000 0.470 441 Y N 3.608 123.980 120.300 0.121 0.000 2.585 441 Y HA 0.370 4.918 4.550 -0.002 0.000 0.354 441 Y C 0.511 176.504 175.900 0.155 0.000 1.024 441 Y CA -0.925 57.234 58.100 0.098 0.000 1.321 441 Y CB 0.011 38.490 38.460 0.032 0.000 1.151 441 Y HN 0.364 nan 8.280 nan 0.000 0.525 442 V N -0.147 119.909 119.914 0.236 0.000 2.997 442 V HA 0.759 4.877 4.120 -0.002 0.000 0.311 442 V C -0.437 175.750 176.094 0.156 0.000 1.066 442 V CA -0.539 61.902 62.300 0.235 0.000 1.039 442 V CB 2.074 34.013 31.823 0.194 0.000 1.081 442 V HN 0.597 nan 8.190 nan 0.000 0.467 443 D N -0.011 120.470 120.400 0.135 0.000 2.663 443 D HA 0.637 5.276 4.640 -0.002 0.000 0.233 443 D C -0.499 175.848 176.300 0.079 0.000 1.240 443 D CA 0.383 54.433 54.000 0.083 0.000 0.774 443 D CB 2.015 42.843 40.800 0.048 0.000 1.443 443 D HN 1.118 nan 8.370 nan 0.000 0.441 444 G N -0.099 108.742 108.800 0.067 0.000 2.481 444 G HA2 0.880 4.839 3.960 -0.002 0.000 0.315 444 G HA3 0.880 4.839 3.960 -0.002 0.000 0.315 444 G C -1.310 173.619 174.900 0.049 0.000 1.231 444 G CA -0.211 44.929 45.100 0.067 0.000 0.968 444 G HN 0.626 nan 8.290 nan 0.000 0.482 445 A N -0.643 122.204 122.820 0.045 0.000 2.609 445 A HA 1.061 5.379 4.320 -0.002 0.000 0.291 445 A C -0.712 176.892 177.584 0.034 0.000 1.096 445 A CA -0.172 51.887 52.037 0.037 0.000 0.684 445 A CB 1.646 20.663 19.000 0.027 0.000 1.282 445 A HN 2.524 nan 8.150 nan 0.000 0.412 446 A N 0.519 123.357 122.820 0.030 0.000 2.572 446 A HA 0.570 4.889 4.320 -0.002 0.000 0.303 446 A C -0.993 176.603 177.584 0.021 0.000 1.059 446 A CA -0.186 51.866 52.037 0.025 0.000 0.788 446 A CB 0.388 19.402 19.000 0.024 0.000 1.282 446 A HN 1.106 nan 8.150 nan 0.000 0.397 447 N N 1.513 120.223 118.700 0.017 0.000 2.420 447 N HA 0.193 4.931 4.740 -0.002 0.000 0.262 447 N C 1.213 176.730 175.510 0.012 0.000 1.144 447 N CA -0.453 52.606 53.050 0.014 0.000 0.952 447 N CB 0.568 39.062 38.487 0.012 0.000 1.081 447 N HN 0.677 nan 8.380 nan 0.000 0.480 448 R N 1.750 122.256 120.500 0.011 0.000 2.094 448 R HA -0.155 4.184 4.340 -0.002 0.000 0.239 448 R C -0.140 176.164 176.300 0.006 0.000 1.137 448 R CA 1.440 57.544 56.100 0.007 0.000 0.943 448 R CB 0.012 30.315 30.300 0.006 0.000 0.850 448 R HN 0.660 nan 8.270 nan 0.000 0.433 449 E N -0.617 119.587 120.200 0.006 0.000 2.313 449 E HA 0.127 4.476 4.350 -0.002 0.000 0.276 449 E C 0.274 176.878 176.600 0.007 0.000 1.031 449 E CA 0.539 56.943 56.400 0.006 0.000 0.857 449 E CB 1.238 30.941 29.700 0.005 0.000 1.040 449 E HN 0.183 nan 8.360 nan 0.000 0.408 450 T N 1.116 115.674 114.554 0.007 0.000 8.221 450 T HA -0.198 4.151 4.350 -0.002 0.000 0.308 450 T C 0.079 174.784 174.700 0.009 0.000 2.067 450 T CA 0.699 62.804 62.100 0.007 0.000 3.452 450 T CB -0.894 67.979 68.868 0.008 0.000 1.536 450 T HN 0.568 nan 8.240 nan 0.000 0.730 451 K N 0.801 121.207 120.400 0.009 0.000 3.016 451 K HA -0.187 4.131 4.320 -0.002 0.000 0.262 451 K C 0.083 176.691 176.600 0.013 0.000 1.043 451 K CA 1.404 57.698 56.287 0.011 0.000 0.761 451 K CB -2.577 29.929 32.500 0.009 0.000 1.230 451 K HN 0.893 nan 8.250 nan 0.000 0.485 452 L N -3.826 117.406 121.223 0.014 0.000 2.323 452 L HA 0.946 5.284 4.340 -0.002 0.000 0.265 452 L C 0.253 177.133 176.870 0.018 0.000 1.012 452 L CA -0.329 54.520 54.840 0.016 0.000 0.820 452 L CB 2.658 44.725 42.059 0.014 0.000 1.334 452 L HN 0.096 nan 8.230 nan 0.000 0.427 453 G N 1.129 109.941 108.800 0.021 0.000 2.554 453 G HA2 0.503 4.462 3.960 -0.002 0.000 0.306 453 G HA3 0.503 4.462 3.960 -0.002 0.000 0.306 453 G C -2.068 172.846 174.900 0.024 0.000 1.320 453 G CA -0.880 44.234 45.100 0.023 0.000 0.800 453 G HN 0.666 nan 8.290 nan 0.000 0.481 454 K N -0.890 119.525 120.400 0.026 0.000 2.498 454 K HA 0.720 5.039 4.320 -0.002 0.000 0.254 454 K C -1.123 175.497 176.600 0.032 0.000 0.933 454 K CA -0.714 55.587 56.287 0.023 0.000 0.806 454 K CB 2.776 35.281 32.500 0.009 0.000 1.301 454 K HN 0.889 nan 8.250 nan 0.000 0.432 455 A N 1.290 124.133 122.820 0.039 0.000 2.359 455 A HA 0.880 5.199 4.320 -0.002 0.000 0.303 455 A C -0.543 177.071 177.584 0.049 0.000 1.066 455 A CA -0.375 51.698 52.037 0.060 0.000 0.730 455 A CB 1.601 20.655 19.000 0.090 0.000 1.211 455 A HN 0.800 nan 8.150 nan 0.000 0.439 456 G N 0.144 108.977 108.800 0.055 0.000 2.731 456 G HA2 0.779 4.738 3.960 -0.002 0.000 0.309 456 G HA3 0.779 4.738 3.960 -0.002 0.000 0.309 456 G C -1.239 173.731 174.900 0.117 0.000 1.273 456 G CA 0.065 45.160 45.100 -0.008 0.000 0.798 456 G HN 1.860 nan 8.290 nan 0.000 0.509 457 Y N -2.315 118.037 120.300 0.086 0.000 2.677 457 Y HA 0.732 5.280 4.550 -0.002 0.000 0.334 457 Y C -0.983 174.939 175.900 0.037 0.000 1.196 457 Y CA -1.284 56.883 58.100 0.112 0.000 1.059 457 Y CB 1.428 40.035 38.460 0.246 0.000 1.315 457 Y HN 1.245 nan 8.280 nan 0.000 0.455 458 V N -0.962 119.127 119.914 0.292 0.000 3.007 458 V HA 0.940 5.059 4.120 -0.002 0.000 0.311 458 V C -1.085 175.050 176.094 0.068 0.000 1.120 458 V CA -0.433 61.946 62.300 0.131 0.000 0.980 458 V CB 1.768 33.598 31.823 0.011 0.000 1.033 458 V HN 1.044 nan 8.190 nan 0.000 0.429 459 T N 2.850 117.365 114.554 -0.065 0.000 2.924 459 T HA 0.411 4.759 4.350 -0.002 0.000 0.291 459 T C 0.945 175.604 174.700 -0.067 0.000 1.045 459 T CA -0.002 61.978 62.100 -0.200 0.000 1.015 459 T CB 1.464 70.071 68.868 -0.435 0.000 1.103 459 T HN 1.004 nan 8.240 nan 0.000 0.496 460 N N 0.976 119.662 118.700 -0.024 0.000 2.571 460 N HA -0.051 4.688 4.740 -0.002 0.000 0.189 460 N C 0.659 176.157 175.510 -0.020 0.000 1.154 460 N CA 0.500 53.553 53.050 0.005 0.000 0.907 460 N CB 0.122 38.641 38.487 0.053 0.000 0.977 460 N HN 0.490 nan 8.380 nan 0.000 0.449 461 K N -0.590 119.781 120.400 -0.047 0.000 2.372 461 K HA 0.211 4.530 4.320 -0.002 0.000 0.200 461 K C 0.590 177.172 176.600 -0.030 0.000 1.022 461 K CA 0.337 56.605 56.287 -0.032 0.000 1.125 461 K CB 0.573 33.056 32.500 -0.028 0.000 0.855 461 K HN 0.312 nan 8.250 nan 0.000 0.524 462 G N 2.073 110.850 108.800 -0.039 0.000 2.284 462 G HA2 -0.301 3.658 3.960 -0.002 0.000 0.230 462 G HA3 -0.301 3.658 3.960 -0.002 0.000 0.230 462 G C 0.079 174.964 174.900 -0.026 0.000 1.021 462 G CA -0.319 44.763 45.100 -0.031 0.000 0.619 462 G HN 0.290 nan 8.290 nan 0.000 0.510 463 R N 0.750 121.238 120.500 -0.020 0.000 2.756 463 R HA 0.463 4.801 4.340 -0.002 0.000 0.264 463 R C 0.350 176.668 176.300 0.029 0.000 1.026 463 R CA 0.972 57.088 56.100 0.026 0.000 1.121 463 R CB 0.269 30.615 30.300 0.076 0.000 0.999 463 R HN 0.593 nan 8.270 nan 0.000 0.449 464 Q N 0.865 120.661 119.800 -0.008 0.000 2.426 464 Q HA 0.400 4.739 4.340 -0.002 0.000 0.278 464 Q C -1.754 174.051 176.000 -0.326 0.000 1.007 464 Q CA -0.773 54.926 55.803 -0.173 0.000 0.850 464 Q CB 2.158 30.823 28.738 -0.123 0.000 1.427 464 Q HN 0.575 nan 8.270 nan 0.000 0.391 465 K N 1.120 121.127 120.400 -0.655 0.000 2.499 465 K HA 0.715 5.034 4.320 -0.002 0.000 0.277 465 K C -1.316 175.055 176.600 -0.383 0.000 1.025 465 K CA -0.561 55.420 56.287 -0.509 0.000 0.900 465 K CB 2.391 34.520 32.500 -0.618 0.000 1.494 465 K HN 0.340 nan 8.250 nan 0.000 0.442 466 V N 1.368 121.158 119.914 -0.206 0.000 4.703 466 V HA 0.011 4.130 4.120 -0.002 0.000 0.696 466 V C -0.705 175.357 176.094 -0.052 0.000 2.133 466 V CA -0.443 61.788 62.300 -0.115 0.000 3.034 466 V CB 0.893 32.662 31.823 -0.091 0.000 0.998 466 V HN 0.612 nan 8.190 nan 0.000 0.583 467 V N 1.286 121.178 119.914 -0.037 0.000 2.742 467 V HA 0.157 4.275 4.120 -0.002 0.000 0.302 467 V C -1.918 174.183 176.094 0.012 0.000 1.133 467 V CA -0.242 62.057 62.300 -0.002 0.000 1.284 467 V CB -0.045 31.791 31.823 0.021 0.000 0.850 467 V HN 0.394 nan 8.190 nan 0.000 0.494 468 P HA 0.685 nan 4.420 nan 0.000 0.292 468 P C -1.018 176.298 177.300 0.027 0.000 1.283 468 P CA -0.689 62.421 63.100 0.017 0.000 0.835 468 P CB 1.825 33.530 31.700 0.009 0.000 1.017 469 L N 1.392 122.634 121.223 0.031 0.000 2.303 469 L HA 0.566 4.905 4.340 -0.002 0.000 0.266 469 L C 1.824 178.711 176.870 0.029 0.000 1.011 469 L CA -0.255 54.607 54.840 0.036 0.000 0.818 469 L CB 1.056 43.144 42.059 0.048 0.000 1.326 469 L HN 0.451 nan 8.230 nan 0.000 0.435 470 T N -2.560 112.011 114.554 0.028 0.000 3.397 470 T HA 0.105 4.453 4.350 -0.002 0.000 0.197 470 T C 0.420 175.132 174.700 0.022 0.000 0.837 470 T CA 0.064 62.178 62.100 0.022 0.000 2.001 470 T CB -0.573 68.308 68.868 0.020 0.000 1.845 470 T HN 0.623 nan 8.240 nan 0.000 0.444 471 N N 2.561 121.274 118.700 0.021 0.000 2.469 471 N HA 0.440 5.179 4.740 -0.002 0.000 0.239 471 N C -0.718 174.805 175.510 0.023 0.000 1.053 471 N CA -0.688 52.373 53.050 0.019 0.000 0.937 471 N CB 0.563 39.060 38.487 0.016 0.000 1.163 471 N HN 0.735 nan 8.380 nan 0.000 0.509 472 T N -1.772 112.796 114.554 0.023 0.000 2.853 472 T HA 0.354 4.703 4.350 -0.002 0.000 0.311 472 T C -0.008 174.705 174.700 0.021 0.000 1.307 472 T CA -0.983 61.134 62.100 0.027 0.000 1.019 472 T CB 1.388 70.278 68.868 0.038 0.000 1.264 472 T HN 0.444 nan 8.240 nan 0.000 0.497 473 T N -0.205 114.360 114.554 0.018 0.000 2.902 473 T HA 0.344 4.693 4.350 -0.002 0.000 0.280 473 T C 1.198 175.902 174.700 0.006 0.000 0.992 473 T CA -0.409 61.693 62.100 0.003 0.000 1.015 473 T CB 0.964 69.822 68.868 -0.017 0.000 1.044 473 T HN 0.567 nan 8.240 nan 0.000 0.520 474 N N 0.646 119.344 118.700 -0.003 0.000 2.184 474 N HA -0.176 4.563 4.740 -0.002 0.000 0.190 474 N C 1.909 177.424 175.510 0.008 0.000 1.011 474 N CA 1.744 54.799 53.050 0.007 0.000 0.867 474 N CB -0.390 38.098 38.487 0.002 0.000 0.993 474 N HN 0.730 nan 8.380 nan 0.000 0.433 475 Q N -0.165 119.611 119.800 -0.041 0.000 2.046 475 Q HA -0.062 4.276 4.340 -0.002 0.000 0.200 475 Q C 1.858 177.911 176.000 0.089 0.000 0.975 475 Q CA 1.227 56.995 55.803 -0.058 0.000 0.836 475 Q CB -0.034 28.504 28.738 -0.334 0.000 0.896 475 Q HN 0.373 nan 8.270 nan 0.000 0.428 476 K N 0.163 120.607 120.400 0.074 0.000 2.148 476 K HA -0.088 4.231 4.320 -0.002 0.000 0.204 476 K C 1.957 178.618 176.600 0.102 0.000 1.050 476 K CA 1.516 57.865 56.287 0.103 0.000 0.942 476 K CB -0.136 32.409 32.500 0.075 0.000 0.724 476 K HN 0.289 nan 8.250 nan 0.000 0.446 477 T N -0.957 113.647 114.554 0.083 0.000 3.308 477 T HA 0.031 4.379 4.350 -0.002 0.000 0.255 477 T C 1.102 175.863 174.700 0.102 0.000 1.162 477 T CA 0.548 62.698 62.100 0.084 0.000 1.031 477 T CB 0.062 68.968 68.868 0.063 0.000 0.973 477 T HN 0.045 nan 8.240 nan 0.000 0.544 478 E N 0.221 120.497 120.200 0.127 0.000 2.354 478 E HA 0.301 4.650 4.350 -0.002 0.000 0.203 478 E C 2.054 178.743 176.600 0.147 0.000 0.841 478 E CA 0.132 56.618 56.400 0.144 0.000 1.046 478 E CB -0.047 29.761 29.700 0.180 0.000 1.040 478 E HN 0.440 nan 8.360 nan 0.000 0.504 479 L N 1.044 122.359 121.223 0.155 0.000 2.109 479 L HA -0.110 4.228 4.340 -0.002 0.000 0.207 479 L C 2.575 179.530 176.870 0.140 0.000 1.086 479 L CA 0.903 55.812 54.840 0.116 0.000 0.760 479 L CB -0.195 41.919 42.059 0.092 0.000 0.910 479 L HN 0.096 nan 8.230 nan 0.000 0.437 480 Q N 0.380 120.271 119.800 0.152 0.000 2.124 480 Q HA -0.156 4.183 4.340 -0.002 0.000 0.202 480 Q C 2.167 178.303 176.000 0.225 0.000 0.977 480 Q CA 2.044 57.971 55.803 0.206 0.000 0.850 480 Q CB -0.155 28.678 28.738 0.158 0.000 0.901 480 Q HN 0.455 nan 8.270 nan 0.000 0.429 481 A N 0.407 123.331 122.820 0.174 0.000 1.854 481 A HA -0.084 4.234 4.320 -0.002 0.000 0.214 481 A C 2.009 179.690 177.584 0.161 0.000 1.192 481 A CA 1.167 53.309 52.037 0.176 0.000 0.611 481 A CB -0.815 18.282 19.000 0.162 0.000 0.832 481 A HN 0.523 nan 8.150 nan 0.000 0.442 482 I N -1.080 119.569 120.570 0.132 0.000 2.335 482 I HA -0.235 3.934 4.170 -0.002 0.000 0.251 482 I C 2.173 178.335 176.117 0.075 0.000 1.129 482 I CA 2.075 63.421 61.300 0.077 0.000 1.402 482 I CB -0.704 37.331 38.000 0.058 0.000 1.069 482 I HN 0.523 nan 8.210 nan 0.000 0.424 483 Y N 1.421 121.712 120.300 -0.015 0.000 2.114 483 Y HA -0.251 4.297 4.550 -0.002 0.000 0.284 483 Y C 2.387 178.266 175.900 -0.036 0.000 1.143 483 Y CA 1.730 59.809 58.100 -0.034 0.000 1.135 483 Y CB -0.928 37.528 38.460 -0.008 0.000 0.980 483 Y HN 0.156 nan 8.280 nan 0.000 0.499 484 L N 0.812 121.970 121.223 -0.107 0.000 1.978 484 L HA -0.264 4.075 4.340 -0.002 0.000 0.218 484 L C 2.692 179.438 176.870 -0.207 0.000 1.075 484 L CA 2.569 57.322 54.840 -0.145 0.000 0.767 484 L CB -1.514 40.636 42.059 0.150 0.000 0.890 484 L HN 0.334 nan 8.230 nan 0.000 0.434 485 A N -1.085 121.613 122.820 -0.203 0.000 1.958 485 A HA -0.258 4.060 4.320 -0.002 0.000 0.221 485 A C 2.294 179.432 177.584 -0.744 0.000 1.178 485 A CA 2.274 53.920 52.037 -0.651 0.000 0.642 485 A CB -0.979 17.739 19.000 -0.469 0.000 0.816 485 A HN 0.521 nan 8.150 nan 0.000 0.453 486 L N -1.440 119.530 121.223 -0.422 0.000 2.093 486 L HA -0.218 4.121 4.340 -0.002 0.000 0.208 486 L C 2.914 179.594 176.870 -0.316 0.000 1.085 486 L CA 1.423 56.063 54.840 -0.333 0.000 0.755 486 L CB -0.493 41.470 42.059 -0.160 0.000 0.904 486 L HN 0.519 nan 8.230 nan 0.000 0.435 487 Q N -0.143 119.447 119.800 -0.349 0.000 2.016 487 Q HA -0.187 4.152 4.340 -0.002 0.000 0.200 487 Q C 1.253 177.139 176.000 -0.191 0.000 0.978 487 Q CA 1.523 57.163 55.803 -0.272 0.000 0.833 487 Q CB 0.048 28.587 28.738 -0.331 0.000 0.895 487 Q HN 0.486 nan 8.270 nan 0.000 0.427 488 D N 0.319 120.603 120.400 -0.194 0.000 2.340 488 D HA -0.003 4.635 4.640 -0.002 0.000 0.220 488 D C 0.450 176.693 176.300 -0.094 0.000 1.039 488 D CA 0.232 54.186 54.000 -0.076 0.000 0.866 488 D CB 0.136 40.977 40.800 0.069 0.000 0.913 488 D HN 0.124 nan 8.370 nan 0.000 0.523 489 S N -0.418 115.116 115.700 -0.276 0.000 2.672 489 S HA 0.599 5.067 4.470 -0.002 0.000 0.276 489 S C 0.823 175.352 174.600 -0.119 0.000 1.207 489 S CA -0.724 57.319 58.200 -0.262 0.000 1.002 489 S CB 2.035 64.870 63.200 -0.609 0.000 0.998 489 S HN 0.061 nan 8.310 nan 0.000 0.542 490 G N 0.070 108.840 108.800 -0.050 0.000 2.553 490 G HA2 0.346 4.305 3.960 -0.002 0.000 0.278 490 G HA3 0.346 4.305 3.960 -0.002 0.000 0.278 490 G C 0.588 175.464 174.900 -0.040 0.000 1.349 490 G CA -0.817 44.269 45.100 -0.024 0.000 1.037 490 G HN 0.622 nan 8.290 nan 0.000 0.508 491 L N -0.581 120.631 121.223 -0.017 0.000 2.549 491 L HA 0.113 4.451 4.340 -0.002 0.000 0.230 491 L C 1.119 177.983 176.870 -0.010 0.000 1.162 491 L CA 1.364 56.196 54.840 -0.013 0.000 0.834 491 L CB -1.172 40.888 42.059 0.001 0.000 0.947 491 L HN 0.631 nan 8.230 nan 0.000 0.452 492 E N -0.060 120.134 120.200 -0.010 0.000 2.542 492 E HA 0.396 4.745 4.350 -0.002 0.000 0.298 492 E C -1.370 175.236 176.600 0.010 0.000 0.980 492 E CA -0.180 56.224 56.400 0.007 0.000 0.792 492 E CB 1.287 30.998 29.700 0.018 0.000 1.463 492 E HN -0.080 nan 8.360 nan 0.000 0.389 493 V N 1.400 121.314 119.914 -0.001 0.000 3.012 493 V HA 0.706 4.824 4.120 -0.002 0.000 0.307 493 V C -1.502 174.614 176.094 0.037 0.000 1.166 493 V CA -1.017 61.289 62.300 0.009 0.000 0.974 493 V CB 2.083 33.848 31.823 -0.096 0.000 1.040 493 V HN 0.562 nan 8.190 nan 0.000 0.428 494 N N 3.406 122.159 118.700 0.088 0.000 2.417 494 N HA 0.796 5.534 4.740 -0.002 0.000 0.300 494 N C -0.914 174.642 175.510 0.077 0.000 1.102 494 N CA -0.764 52.364 53.050 0.130 0.000 0.886 494 N CB 2.005 40.615 38.487 0.204 0.000 1.203 494 N HN 0.873 nan 8.380 nan 0.000 0.496 495 I N 0.351 120.942 120.570 0.035 0.000 2.582 495 I HA 0.377 4.546 4.170 -0.002 0.000 0.292 495 I C -0.919 175.160 176.117 -0.063 0.000 1.066 495 I CA -1.229 60.061 61.300 -0.018 0.000 1.053 495 I CB 2.294 40.270 38.000 -0.040 0.000 1.241 495 I HN 0.128 nan 8.210 nan 0.000 0.421 496 V N 4.630 124.462 119.914 -0.136 0.000 2.384 496 V HA 0.542 4.660 4.120 -0.002 0.000 0.287 496 V C 0.014 176.079 176.094 -0.048 0.000 1.020 496 V CA -0.273 61.939 62.300 -0.147 0.000 0.850 496 V CB 1.662 33.260 31.823 -0.375 0.000 0.987 496 V HN 0.814 nan 8.190 nan 0.000 0.436 497 T N 2.508 117.049 114.554 -0.021 0.000 2.910 497 T HA 0.456 4.805 4.350 -0.002 0.000 0.287 497 T C 0.021 174.642 174.700 -0.132 0.000 1.050 497 T CA -0.411 61.691 62.100 0.003 0.000 1.011 497 T CB 1.772 70.691 68.868 0.086 0.000 1.195 497 T HN 0.837 nan 8.240 nan 0.000 0.540 498 D N -1.104 119.234 120.400 -0.103 0.000 2.469 498 D HA 0.176 4.815 4.640 -0.002 0.000 0.215 498 D C 0.239 176.631 176.300 0.154 0.000 1.154 498 D CA -0.260 53.586 54.000 -0.256 0.000 0.832 498 D CB 0.224 40.907 40.800 -0.196 0.000 1.008 498 D HN 0.292 nan 8.370 nan 0.000 0.506 499 S N 1.001 116.868 115.700 0.278 0.000 2.474 499 S HA 0.116 4.585 4.470 -0.002 0.000 0.320 499 S C 1.143 175.980 174.600 0.394 0.000 1.067 499 S CA -0.614 57.790 58.200 0.341 0.000 1.127 499 S CB 0.894 64.245 63.200 0.251 0.000 0.971 499 S HN 0.259 nan 8.310 nan 0.000 0.472 500 Q N 4.425 124.443 119.800 0.363 0.000 2.291 500 Q HA -0.190 4.149 4.340 -0.002 0.000 0.206 500 Q C 1.257 177.308 176.000 0.085 0.000 0.976 500 Q CA 1.374 57.209 55.803 0.054 0.000 0.875 500 Q CB -0.460 28.169 28.738 -0.180 0.000 0.927 500 Q HN 0.855 nan 8.270 nan 0.000 0.450 501 Y N 1.463 121.791 120.300 0.047 0.000 2.036 501 Y HA -0.221 4.328 4.550 -0.002 0.000 0.273 501 Y C 2.542 178.461 175.900 0.032 0.000 1.135 501 Y CA 2.003 60.124 58.100 0.036 0.000 1.106 501 Y CB -0.962 37.531 38.460 0.056 0.000 0.976 501 Y HN 0.193 nan 8.280 nan 0.000 0.483 502 A N 0.511 123.305 122.820 -0.044 0.000 1.892 502 A HA -0.248 4.071 4.320 -0.002 0.000 0.218 502 A C 2.272 179.790 177.584 -0.109 0.000 1.188 502 A CA 2.036 53.980 52.037 -0.155 0.000 0.631 502 A CB -1.518 17.498 19.000 0.026 0.000 0.822 502 A HN 0.635 nan 8.150 nan 0.000 0.447 503 L N 0.132 121.351 121.223 -0.006 0.000 1.978 503 L HA -0.148 4.190 4.340 -0.002 0.000 0.218 503 L C 2.457 179.295 176.870 -0.054 0.000 1.075 503 L CA 2.758 57.593 54.840 -0.008 0.000 0.767 503 L CB -1.266 40.812 42.059 0.031 0.000 0.890 503 L HN 0.339 nan 8.230 nan 0.000 0.434 504 G N -0.325 108.420 108.800 -0.092 0.000 2.491 504 G HA2 -0.314 3.645 3.960 -0.002 0.000 0.218 504 G HA3 -0.314 3.645 3.960 -0.002 0.000 0.218 504 G C 1.655 176.538 174.900 -0.028 0.000 1.180 504 G CA 1.417 46.464 45.100 -0.089 0.000 0.774 504 G HN 0.518 nan 8.290 nan 0.000 0.562 505 I N 0.413 120.892 120.570 -0.153 0.000 2.226 505 I HA -0.134 4.035 4.170 -0.002 0.000 0.245 505 I C 2.631 178.704 176.117 -0.074 0.000 1.100 505 I CA 0.954 62.141 61.300 -0.189 0.000 1.374 505 I CB -0.135 37.554 38.000 -0.519 0.000 1.057 505 I HN 0.166 nan 8.210 nan 0.000 0.413 506 I N -0.123 120.410 120.570 -0.061 0.000 2.617 506 I HA -0.224 3.945 4.170 -0.002 0.000 0.256 506 I C 2.420 178.611 176.117 0.122 0.000 1.167 506 I CA 0.841 62.156 61.300 0.026 0.000 1.469 506 I CB -0.156 37.839 38.000 -0.009 0.000 1.098 506 I HN 0.296 nan 8.210 nan 0.000 0.436 507 Q N 1.098 120.961 119.800 0.105 0.000 2.435 507 Q HA 0.008 4.347 4.340 -0.002 0.000 0.207 507 Q C 1.453 177.606 176.000 0.255 0.000 0.956 507 Q CA 0.752 56.641 55.803 0.144 0.000 0.917 507 Q CB 0.209 28.995 28.738 0.080 0.000 0.997 507 Q HN 0.468 nan 8.270 nan 0.000 0.497 508 A N 0.146 123.154 122.820 0.314 0.000 2.577 508 A HA 0.129 4.448 4.320 -0.002 0.000 0.280 508 A C -0.347 177.448 177.584 0.351 0.000 1.331 508 A CA -0.318 51.972 52.037 0.422 0.000 0.935 508 A CB -0.019 19.307 19.000 0.544 0.000 1.082 508 A HN 0.471 nan 8.150 nan 0.000 0.525 509 Q N -0.822 119.133 119.800 0.258 0.000 2.437 509 Q HA -0.154 4.184 4.340 -0.002 0.000 0.354 509 Q C -2.313 173.717 176.000 0.051 0.000 1.402 509 Q CA 0.213 56.063 55.803 0.079 0.000 1.020 509 Q CB -1.667 27.003 28.738 -0.113 0.000 1.220 509 Q HN 0.454 nan 8.270 nan 0.000 0.368 510 P HA -0.050 nan 4.420 nan 0.000 0.268 510 P C 0.184 177.584 177.300 0.167 0.000 1.204 510 P CA 0.271 63.454 63.100 0.139 0.000 0.768 510 P CB 0.530 32.313 31.700 0.138 0.000 0.842 511 D N 3.031 123.475 120.400 0.074 0.000 2.431 511 D HA 0.051 4.690 4.640 -0.002 0.000 0.213 511 D C -0.030 176.249 176.300 -0.035 0.000 1.130 511 D CA 0.087 54.109 54.000 0.037 0.000 0.834 511 D CB 0.224 41.027 40.800 0.005 0.000 0.985 511 D HN 0.478 nan 8.370 nan 0.000 0.504 512 K N -1.903 118.509 120.400 0.019 0.000 2.660 512 K HA 0.513 4.832 4.320 -0.002 0.000 0.285 512 K C -1.764 174.879 176.600 0.072 0.000 0.997 512 K CA -0.883 55.409 56.287 0.010 0.000 0.861 512 K CB 1.549 34.039 32.500 -0.017 0.000 1.469 512 K HN -0.091 nan 8.250 nan 0.000 0.395 513 S N 0.229 115.969 115.700 0.067 0.000 2.537 513 S HA 0.215 4.683 4.470 -0.002 0.000 0.271 513 S C -1.213 173.418 174.600 0.052 0.000 1.148 513 S CA -0.675 57.601 58.200 0.127 0.000 0.868 513 S CB 1.792 65.173 63.200 0.301 0.000 1.115 513 S HN 0.675 nan 8.310 nan 0.000 0.461 514 E N 1.914 122.116 120.200 0.005 0.000 2.545 514 E HA 0.225 4.574 4.350 -0.002 0.000 0.271 514 E C -0.557 176.052 176.600 0.015 0.000 1.508 514 E CA -0.079 56.314 56.400 -0.012 0.000 1.774 514 E CB 0.395 30.069 29.700 -0.044 0.000 1.460 514 E HN 0.315 nan 8.360 nan 0.000 0.449 515 S N 0.504 116.237 115.700 0.055 0.000 2.776 515 S HA 0.123 4.592 4.470 -0.002 0.000 0.284 515 S C 0.586 175.199 174.600 0.021 0.000 1.160 515 S CA -0.775 57.468 58.200 0.071 0.000 1.051 515 S CB 0.680 63.986 63.200 0.178 0.000 1.037 515 S HN 0.135 nan 8.310 nan 0.000 0.485 516 E N 4.034 124.232 120.200 -0.003 0.000 2.095 516 E HA -0.214 4.135 4.350 -0.002 0.000 0.212 516 E C 1.834 178.382 176.600 -0.088 0.000 1.044 516 E CA 1.621 57.999 56.400 -0.038 0.000 0.857 516 E CB -0.306 29.376 29.700 -0.029 0.000 0.764 516 E HN 0.525 nan 8.360 nan 0.000 0.462 517 L N 1.030 122.197 121.223 -0.094 0.000 1.976 517 L HA -0.133 4.206 4.340 -0.002 0.000 0.209 517 L C 2.306 179.045 176.870 -0.217 0.000 1.071 517 L CA 1.670 56.392 54.840 -0.197 0.000 0.746 517 L CB -0.858 41.129 42.059 -0.121 0.000 0.890 517 L HN 0.167 nan 8.230 nan 0.000 0.432 518 V N 0.981 120.832 119.914 -0.105 0.000 2.317 518 V HA -0.342 3.776 4.120 -0.002 0.000 0.251 518 V C 2.518 178.551 176.094 -0.101 0.000 1.065 518 V CA 1.949 64.189 62.300 -0.100 0.000 1.049 518 V CB -0.862 30.938 31.823 -0.039 0.000 0.651 518 V HN 0.526 nan 8.190 nan 0.000 0.450 519 N N -0.255 118.396 118.700 -0.082 0.000 2.104 519 N HA -0.196 4.543 4.740 -0.002 0.000 0.190 519 N C 1.961 177.398 175.510 -0.121 0.000 1.024 519 N CA 1.605 54.605 53.050 -0.083 0.000 0.853 519 N CB -0.216 38.230 38.487 -0.068 0.000 1.008 519 N HN 0.633 nan 8.380 nan 0.000 0.424 520 Q N 0.371 120.055 119.800 -0.194 0.000 2.046 520 Q HA 0.013 4.351 4.340 -0.002 0.000 0.200 520 Q C 2.255 178.156 176.000 -0.165 0.000 0.975 520 Q CA 0.881 56.551 55.803 -0.222 0.000 0.836 520 Q CB -0.044 28.424 28.738 -0.451 0.000 0.896 520 Q HN 0.379 nan 8.270 nan 0.000 0.428 521 I N 0.840 121.267 120.570 -0.239 0.000 2.151 521 I HA -0.319 3.850 4.170 -0.002 0.000 0.243 521 I C 2.109 178.154 176.117 -0.121 0.000 1.080 521 I CA 0.949 62.194 61.300 -0.091 0.000 1.339 521 I CB -0.505 37.432 38.000 -0.104 0.000 1.039 521 I HN 0.265 nan 8.210 nan 0.000 0.409 522 I N 0.691 121.182 120.570 -0.132 0.000 2.099 522 I HA -0.302 3.867 4.170 -0.002 0.000 0.239 522 I C 2.541 178.577 176.117 -0.135 0.000 1.066 522 I CA 1.748 62.961 61.300 -0.146 0.000 1.324 522 I CB -1.485 36.488 38.000 -0.045 0.000 1.037 522 I HN 0.251 nan 8.210 nan 0.000 0.401 523 E N 0.534 120.683 120.200 -0.086 0.000 2.130 523 E HA -0.292 4.057 4.350 -0.002 0.000 0.196 523 E C 2.168 178.745 176.600 -0.039 0.000 0.998 523 E CA 1.698 58.065 56.400 -0.055 0.000 0.806 523 E CB -0.126 29.550 29.700 -0.041 0.000 0.738 523 E HN 0.413 nan 8.360 nan 0.000 0.459 524 Q N -0.181 119.598 119.800 -0.034 0.000 2.049 524 Q HA -0.021 4.317 4.340 -0.002 0.000 0.198 524 Q C 2.072 178.014 176.000 -0.095 0.000 0.971 524 Q CA 1.184 56.971 55.803 -0.027 0.000 0.833 524 Q CB -0.209 28.551 28.738 0.036 0.000 0.896 524 Q HN 0.334 nan 8.270 nan 0.000 0.434 525 L N 0.061 121.164 121.223 -0.200 0.000 2.137 525 L HA -0.233 4.106 4.340 -0.002 0.000 0.213 525 L C 2.147 178.883 176.870 -0.223 0.000 1.085 525 L CA 1.161 55.790 54.840 -0.351 0.000 0.760 525 L CB -0.434 41.115 42.059 -0.849 0.000 0.893 525 L HN 0.365 nan 8.230 nan 0.000 0.434 526 I N -0.868 119.636 120.570 -0.110 0.000 2.546 526 I HA -0.200 3.968 4.170 -0.002 0.000 0.255 526 I C 2.344 178.502 176.117 0.068 0.000 1.163 526 I CA 0.678 62.023 61.300 0.075 0.000 1.457 526 I CB -0.183 37.908 38.000 0.151 0.000 1.092 526 I HN 0.189 nan 8.210 nan 0.000 0.434 527 K N 1.029 121.440 120.400 0.018 0.000 2.103 527 K HA 0.012 4.331 4.320 -0.002 0.000 0.204 527 K C 1.044 177.652 176.600 0.014 0.000 1.052 527 K CA 0.634 56.933 56.287 0.020 0.000 0.945 527 K CB -0.192 32.310 32.500 0.003 0.000 0.722 527 K HN 0.206 nan 8.250 nan 0.000 0.443 528 K N 1.176 121.572 120.400 -0.005 0.000 2.170 528 K HA -0.039 4.280 4.320 -0.002 0.000 0.241 528 K C 1.234 177.849 176.600 0.025 0.000 1.071 528 K CA 0.571 56.855 56.287 -0.005 0.000 0.822 528 K CB 0.270 32.754 32.500 -0.027 0.000 1.097 528 K HN 0.131 nan 8.250 nan 0.000 0.522 529 E N -0.094 120.123 120.200 0.027 0.000 2.441 529 E HA 0.095 4.444 4.350 -0.002 0.000 0.207 529 E C -0.367 176.266 176.600 0.054 0.000 0.803 529 E CA 0.172 56.598 56.400 0.043 0.000 1.240 529 E CB 0.888 30.607 29.700 0.033 0.000 1.233 529 E HN 0.256 nan 8.360 nan 0.000 0.590 530 K N 1.461 121.889 120.400 0.047 0.000 2.541 530 K HA 0.463 4.782 4.320 -0.002 0.000 0.250 530 K C -1.508 175.129 176.600 0.061 0.000 0.950 530 K CA -0.379 55.947 56.287 0.064 0.000 0.805 530 K CB 3.077 35.613 32.500 0.059 0.000 1.166 530 K HN -0.179 nan 8.250 nan 0.000 0.430 531 V N 3.630 123.594 119.914 0.084 0.000 2.531 531 V HA 0.326 4.445 4.120 -0.002 0.000 0.301 531 V C -1.378 174.797 176.094 0.135 0.000 1.034 531 V CA -0.935 61.407 62.300 0.070 0.000 0.865 531 V CB 1.472 33.303 31.823 0.013 0.000 0.995 531 V HN 0.685 nan 8.190 nan 0.000 0.424 532 Y N 5.852 126.159 120.300 0.012 0.000 2.331 532 Y HA 0.767 5.316 4.550 -0.002 0.000 0.334 532 Y C -1.018 174.890 175.900 0.013 0.000 0.960 532 Y CA -0.879 57.235 58.100 0.023 0.000 1.130 532 Y CB 1.740 40.212 38.460 0.020 0.000 1.164 532 Y HN 0.626 nan 8.280 nan 0.000 0.458 533 L N 6.189 127.078 121.223 -0.556 0.000 2.329 533 L HA 0.964 5.303 4.340 -0.002 0.000 0.279 533 L C -1.181 175.380 176.870 -0.515 0.000 1.014 533 L CA -0.313 54.308 54.840 -0.365 0.000 0.814 533 L CB 1.356 43.311 42.059 -0.174 0.000 1.257 533 L HN 0.748 nan 8.230 nan 0.000 0.424 534 A N 3.862 126.556 122.820 -0.210 0.000 2.479 534 A HA 0.741 5.060 4.320 -0.002 0.000 0.296 534 A C -2.197 175.450 177.584 0.105 0.000 1.121 534 A CA -0.560 51.449 52.037 -0.048 0.000 0.743 534 A CB 0.989 20.056 19.000 0.113 0.000 1.323 534 A HN 0.843 nan 8.150 nan 0.000 0.415 535 W N 1.393 122.677 121.300 -0.028 0.000 2.702 535 W HA 0.590 5.249 4.660 -0.002 0.000 0.331 535 W C -0.995 175.540 176.519 0.026 0.000 1.049 535 W CA -0.574 56.768 57.345 -0.004 0.000 1.230 535 W CB 1.911 31.361 29.460 -0.016 0.000 1.408 535 W HN 0.871 nan 8.180 nan 0.000 0.492 536 V N 3.544 122.933 119.914 -0.876 0.000 2.914 536 V HA 0.738 4.856 4.120 -0.002 0.000 0.314 536 V C -2.722 172.301 176.094 -1.785 0.000 1.084 536 V CA -3.197 58.523 62.300 -0.966 0.000 0.963 536 V CB 1.547 33.135 31.823 -0.392 0.000 1.025 536 V HN 0.486 nan 8.190 nan 0.000 0.432 537 P HA 0.393 nan 4.420 nan 0.000 0.271 537 P C -0.168 176.931 177.300 -0.335 0.000 1.220 537 P CA 0.354 63.068 63.100 -0.643 0.000 0.768 537 P CB 0.710 32.341 31.700 -0.116 0.000 0.848 538 A N 3.083 125.799 122.820 -0.174 0.000 2.332 538 A HA 0.292 4.611 4.320 -0.002 0.000 0.258 538 A C 0.041 177.629 177.584 0.007 0.000 1.087 538 A CA -0.106 51.852 52.037 -0.133 0.000 0.802 538 A CB -0.853 18.092 19.000 -0.092 0.000 1.042 538 A HN 0.800 nan 8.150 nan 0.000 0.489 539 H N -1.434 117.613 119.070 -0.038 0.000 2.903 539 H HA -0.112 4.443 4.556 -0.002 0.000 0.285 539 H C 0.229 175.543 175.328 -0.023 0.000 1.231 539 H CA 1.378 57.414 56.048 -0.021 0.000 1.135 539 H CB -1.327 28.432 29.762 -0.004 0.000 1.328 539 H HN 0.600 nan 8.280 nan 0.000 0.388 540 K N -0.438 119.972 120.400 0.015 0.000 2.400 540 K HA 0.624 4.943 4.320 -0.002 0.000 0.249 540 K C 1.256 177.843 176.600 -0.021 0.000 1.069 540 K CA -0.180 56.109 56.287 0.004 0.000 0.965 540 K CB 0.694 33.186 32.500 -0.013 0.000 1.365 540 K HN 0.134 nan 8.250 nan 0.000 0.539 541 G N 1.121 109.908 108.800 -0.022 0.000 4.198 541 G HA2 0.372 4.331 3.960 -0.002 0.000 0.282 541 G HA3 0.372 4.331 3.960 -0.002 0.000 0.282 541 G C -0.559 174.313 174.900 -0.047 0.000 1.262 541 G CA -0.182 44.898 45.100 -0.033 0.000 1.473 541 G HN 0.132 nan 8.290 nan 0.000 0.624 542 I N 1.872 122.404 120.570 -0.063 0.000 2.291 542 I HA 0.254 4.423 4.170 -0.002 0.000 0.292 542 I C 1.251 177.294 176.117 -0.123 0.000 1.064 542 I CA -0.737 60.523 61.300 -0.066 0.000 1.269 542 I CB 1.504 39.474 38.000 -0.050 0.000 1.418 542 I HN 0.204 nan 8.210 nan 0.000 0.485 543 G N 4.415 113.133 108.800 -0.137 0.000 2.230 543 G HA2 0.349 4.308 3.960 -0.002 0.000 0.282 543 G HA3 0.349 4.308 3.960 -0.002 0.000 0.282 543 G C 0.877 175.484 174.900 -0.488 0.000 0.999 543 G CA 0.692 45.658 45.100 -0.224 0.000 1.326 543 G HN 1.054 nan 8.290 nan 0.000 0.397 544 G N 2.819 111.301 108.800 -0.531 0.000 2.906 544 G HA2 -0.281 3.677 3.960 -0.002 0.000 0.196 544 G HA3 -0.281 3.677 3.960 -0.002 0.000 0.196 544 G C 1.289 175.992 174.900 -0.327 0.000 2.215 544 G CA 0.661 45.202 45.100 -0.932 0.000 1.518 544 G HN 0.768 nan 8.290 nan 0.000 0.495 545 N N 1.368 120.005 118.700 -0.106 0.000 2.036 545 N HA -0.106 4.632 4.740 -0.002 0.000 0.195 545 N C 1.925 177.382 175.510 -0.088 0.000 1.037 545 N CA 2.654 55.696 53.050 -0.013 0.000 0.855 545 N CB -0.243 38.224 38.487 -0.032 0.000 1.033 545 N HN 0.667 nan 8.380 nan 0.000 0.423 546 E N -0.337 119.792 120.200 -0.118 0.000 2.038 546 E HA -0.359 3.990 4.350 -0.002 0.000 0.195 546 E C 1.972 178.512 176.600 -0.100 0.000 1.000 546 E CA 1.516 57.850 56.400 -0.110 0.000 0.803 546 E CB -0.310 29.331 29.700 -0.098 0.000 0.750 546 E HN 0.452 nan 8.360 nan 0.000 0.448 547 Q N 0.597 120.323 119.800 -0.123 0.000 2.045 547 Q HA -0.171 4.167 4.340 -0.002 0.000 0.206 547 Q C 2.106 178.061 176.000 -0.076 0.000 0.991 547 Q CA 2.623 58.360 55.803 -0.110 0.000 0.851 547 Q CB -0.604 28.042 28.738 -0.154 0.000 0.911 547 Q HN 0.297 nan 8.270 nan 0.000 0.418 548 V N 1.143 121.023 119.914 -0.056 0.000 2.759 548 V HA -0.162 3.957 4.120 -0.002 0.000 0.256 548 V C 1.949 178.028 176.094 -0.026 0.000 1.080 548 V CA 1.770 64.061 62.300 -0.015 0.000 1.101 548 V CB -0.764 31.092 31.823 0.055 0.000 0.698 548 V HN 0.439 nan 8.190 nan 0.000 0.477 549 D N 0.513 120.884 120.400 -0.048 0.000 2.103 549 D HA -0.165 4.474 4.640 -0.002 0.000 0.199 549 D C 2.145 178.417 176.300 -0.046 0.000 0.978 549 D CA 1.156 55.120 54.000 -0.060 0.000 0.829 549 D CB -0.016 40.718 40.800 -0.110 0.000 0.981 549 D HN 0.267 nan 8.370 nan 0.000 0.464 550 K N 0.022 120.392 120.400 -0.049 0.000 2.059 550 K HA -0.165 4.153 4.320 -0.002 0.000 0.212 550 K C 2.024 178.605 176.600 -0.032 0.000 1.050 550 K CA 1.694 57.959 56.287 -0.038 0.000 0.927 550 K CB -0.413 32.061 32.500 -0.043 0.000 0.714 550 K HN 0.311 nan 8.250 nan 0.000 0.447 551 L N -2.459 118.742 121.223 -0.037 0.000 2.477 551 L HA 0.222 4.561 4.340 -0.002 0.000 0.220 551 L C 1.477 178.327 176.870 -0.032 0.000 1.106 551 L CA 0.561 55.379 54.840 -0.037 0.000 0.851 551 L CB -0.091 41.938 42.059 -0.050 0.000 0.994 551 L HN -0.119 nan 8.230 nan 0.000 0.462 552 V N -0.014 119.885 119.914 -0.025 0.000 2.878 552 V HA 0.005 4.124 4.120 -0.002 0.000 0.250 552 V C 2.293 178.384 176.094 -0.006 0.000 1.075 552 V CA 1.349 63.641 62.300 -0.014 0.000 1.096 552 V CB -0.317 31.504 31.823 -0.003 0.000 0.724 552 V HN 0.696 nan 8.190 nan 0.000 0.467 553 S N 0.300 115.995 115.700 -0.008 0.000 2.524 553 S HA 0.377 4.846 4.470 -0.002 0.000 0.215 553 S C 1.095 175.695 174.600 0.000 0.000 0.986 553 S CA 0.299 58.500 58.200 0.002 0.000 0.911 553 S CB 0.064 63.267 63.200 0.005 0.000 0.805 553 S HN 0.426 nan 8.310 nan 0.000 0.501 554 A N 1.840 124.655 122.820 -0.007 0.000 2.476 554 A HA 0.566 4.884 4.320 -0.002 0.000 0.275 554 A C 1.177 178.758 177.584 -0.005 0.000 1.133 554 A CA 0.246 52.278 52.037 -0.008 0.000 0.797 554 A CB -1.297 17.694 19.000 -0.015 0.000 1.081 554 A HN 1.575 nan 8.150 nan 0.000 0.510 555 G N 0.238 109.037 108.800 -0.001 0.000 2.880 555 G HA2 0.351 4.310 3.960 -0.002 0.000 0.686 555 G HA3 0.351 4.310 3.960 -0.002 0.000 0.686 555 G C 0.658 175.560 174.900 0.003 0.000 1.505 555 G CA 0.177 45.277 45.100 0.000 0.000 1.057 555 G HN 2.694 nan 8.290 nan 0.000 0.599 556 I N -2.638 117.935 120.570 0.006 0.000 6.250 556 I HA 0.425 4.594 4.170 -0.002 0.000 0.126 556 I C 1.215 177.339 176.117 0.012 0.000 1.820 556 I CA 3.515 64.820 61.300 0.008 0.000 2.062 556 I CB -2.649 35.356 38.000 0.008 0.000 3.453 556 I HN 3.161 nan 8.210 nan 0.000 0.177 557 R N 0.000 120.508 120.500 0.013 0.000 2.786 557 R HA 0.000 4.339 4.340 -0.002 0.000 0.208 557 R CA 0.000 56.112 56.100 0.020 0.000 0.921 557 R CB 0.000 30.313 30.300 0.021 0.000 0.687 557 R HN 0.000 nan 8.270 nan 0.000 0.535