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 2du7_1_C DATA FIRST_RESID 11 DATA SEQUENCE MRFDIKKVLE LAEKDFETAW RETRALIKDK HIDNKYPRLK PVYGKPHPVM DATA SEQUENCE ETIERLRQAY LRMGFEEMIN PVIVDEMEIY KQFGPEAMAV LDRCFYLAGL DATA SEQUENCE PRPDVGLGNE KVEIIKNLGI DIDEEKKERL REVLHLYKKG AIDGDDLVFE DATA SEQUENCE IAKALNVSNE MGLKVLETAF PEFKDLKPES TTLTLRSHMT SGWFITLSSL DATA SEQUENCE IKKRKLPLKL FSIDRCFRRE QREDRSHLMS YHSASCVVVG EDVSVDDGKV DATA SEQUENCE VAEGLLAQFG FTKFKFKPDE KKSKYYTPET QTEVYAYHPK LGEWIEVATF DATA SEQUENCE GVYSPIALAK YNIDVPVMNL GLGVERLAMI IYGYEDVRAM VYPQFYEYRL DATA SEQUENCE SDRDIAGMIR VDKVPILDEF YNFANELIDI CIANKDKESP CSVEVKREFN DATA SEQUENCE FNGERRVIKV EIFENEPNKK LLGPSVLNEV YVYDGNIYGI PPTFEGVKEQ DATA SEQUENCE YIPILKKAKE EGVSTNIRYI DGIIYKLVAK IEEALVSNVD EFKFRVPIVR DATA SEQUENCE SLSDINLKID ELALKQIMGE NKVIDVRGPV FLNAKVEIK 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 11 M HA 0.000 nan 4.480 nan 0.000 0.227 11 M C 0.000 176.265 176.300 -0.059 0.000 1.140 11 M CA 0.000 55.291 55.300 -0.015 0.000 0.988 11 M CB 0.000 32.611 32.600 0.018 0.000 1.302 12 R N 3.322 123.755 120.500 -0.112 0.000 2.543 12 R HA 0.634 4.974 4.340 0.001 0.000 0.277 12 R C -0.647 175.560 176.300 -0.154 0.000 1.074 12 R CA -0.157 55.788 56.100 -0.258 0.000 1.076 12 R CB 0.323 30.489 30.300 -0.222 0.000 0.993 12 R HN 0.576 nan 8.270 nan 0.000 0.459 13 F N -0.851 119.109 119.950 0.016 0.000 2.411 13 F HA 0.419 4.947 4.527 0.001 0.000 0.324 13 F C 0.052 175.862 175.800 0.017 0.000 1.086 13 F CA -1.598 56.411 58.000 0.016 0.000 1.028 13 F CB 0.419 39.428 39.000 0.017 0.000 1.284 13 F HN 0.241 nan 8.300 nan 0.000 0.501 14 D N 1.048 121.659 120.400 0.353 0.000 2.225 14 D HA 0.312 4.952 4.640 0.001 0.000 0.249 14 D C 1.369 177.808 176.300 0.231 0.000 1.052 14 D CA -0.158 53.975 54.000 0.223 0.000 0.909 14 D CB 2.176 43.050 40.800 0.122 0.000 1.186 14 D HN 0.514 nan 8.370 nan 0.000 0.431 15 I N 1.077 121.753 120.570 0.177 0.000 2.055 15 I HA -0.264 3.907 4.170 0.001 0.000 0.228 15 I C 2.567 178.728 176.117 0.074 0.000 1.050 15 I CA 0.925 62.306 61.300 0.134 0.000 1.326 15 I CB -0.306 37.756 38.000 0.104 0.000 1.077 15 I HN 0.389 nan 8.210 nan 0.000 0.392 16 K N 1.243 121.679 120.400 0.060 0.000 2.127 16 K HA -0.309 4.011 4.320 0.001 0.000 0.208 16 K C 2.183 178.803 176.600 0.033 0.000 1.047 16 K CA 2.049 58.362 56.287 0.043 0.000 0.927 16 K CB -0.104 32.419 32.500 0.038 0.000 0.716 16 K HN 0.001 nan 8.250 nan 0.000 0.450 17 K N 0.451 120.874 120.400 0.039 0.000 2.089 17 K HA -0.155 4.166 4.320 0.001 0.000 0.210 17 K C 1.641 178.241 176.600 0.001 0.000 1.048 17 K CA 2.011 58.314 56.287 0.026 0.000 0.926 17 K CB -0.169 32.357 32.500 0.044 0.000 0.714 17 K HN 0.128 nan 8.250 nan 0.000 0.448 18 V N -0.094 119.811 119.914 -0.016 0.000 2.672 18 V HA -0.021 4.100 4.120 0.001 0.000 0.242 18 V C 2.018 178.102 176.094 -0.017 0.000 1.059 18 V CA 0.883 63.148 62.300 -0.059 0.000 1.081 18 V CB -0.335 31.386 31.823 -0.171 0.000 0.752 18 V HN 0.265 nan 8.190 nan 0.000 0.472 19 L N 1.011 122.239 121.223 0.008 0.000 2.129 19 L HA -0.206 4.135 4.340 0.001 0.000 0.212 19 L C 2.337 179.239 176.870 0.055 0.000 1.087 19 L CA 2.266 57.129 54.840 0.040 0.000 0.757 19 L CB -0.685 41.399 42.059 0.042 0.000 0.896 19 L HN 0.488 nan 8.230 nan 0.000 0.434 20 E N -0.759 119.464 120.200 0.038 0.000 2.118 20 E HA -0.240 4.111 4.350 0.001 0.000 0.195 20 E C 1.926 178.557 176.600 0.052 0.000 0.992 20 E CA 1.079 57.503 56.400 0.041 0.000 0.804 20 E CB -0.119 29.596 29.700 0.025 0.000 0.741 20 E HN 0.481 nan 8.360 nan 0.000 0.458 21 L N 0.320 121.562 121.223 0.032 0.000 2.642 21 L HA -0.072 4.269 4.340 0.001 0.000 0.236 21 L C 1.043 177.977 176.870 0.107 0.000 1.169 21 L CA 1.113 55.953 54.840 0.001 0.000 0.851 21 L CB -0.636 41.379 42.059 -0.073 0.000 0.968 21 L HN 0.178 nan 8.230 nan 0.000 0.453 22 A N -1.595 121.362 122.820 0.228 0.000 3.533 22 A HA 0.505 4.826 4.320 0.001 0.000 0.189 22 A C 0.985 178.705 177.584 0.227 0.000 1.339 22 A CA 0.329 52.631 52.037 0.442 0.000 1.552 22 A CB 0.080 19.267 19.000 0.310 0.000 1.591 22 A HN 0.227 nan 8.150 nan 0.000 0.603 23 E N -1.413 118.854 120.200 0.111 0.000 3.466 23 E HA -0.388 3.963 4.350 0.001 0.000 0.425 23 E C 1.185 177.812 176.600 0.045 0.000 1.529 23 E CA 2.093 58.524 56.400 0.052 0.000 1.326 23 E CB -0.900 28.832 29.700 0.053 0.000 1.408 23 E HN 0.582 nan 8.360 nan 0.000 0.411 24 K N 0.791 121.230 120.400 0.066 0.000 2.474 24 K HA 0.040 4.360 4.320 0.001 0.000 0.204 24 K C -0.131 176.525 176.600 0.095 0.000 1.220 24 K CA 0.566 56.889 56.287 0.059 0.000 0.966 24 K CB 0.694 33.215 32.500 0.036 0.000 1.049 24 K HN 0.117 nan 8.250 nan 0.000 0.554 25 D N 0.806 121.270 120.400 0.108 0.000 2.639 25 D HA 0.057 4.698 4.640 0.001 0.000 0.233 25 D C -1.562 174.830 176.300 0.152 0.000 1.161 25 D CA -0.400 53.660 54.000 0.100 0.000 1.003 25 D CB -0.218 40.616 40.800 0.057 0.000 1.034 25 D HN 0.004 nan 8.370 nan 0.000 0.514 26 F N 2.083 122.039 119.950 0.011 0.000 2.303 26 F HA 0.338 4.866 4.527 0.001 0.000 0.368 26 F C -0.187 175.627 175.800 0.022 0.000 1.105 26 F CA -0.633 57.377 58.000 0.018 0.000 1.153 26 F CB 0.606 39.616 39.000 0.017 0.000 1.362 26 F HN 0.088 nan 8.300 nan 0.000 0.511 27 E N 3.334 123.402 120.200 -0.220 0.000 2.207 27 E HA 0.179 4.529 4.350 0.001 0.000 0.250 27 E C 0.352 176.796 176.600 -0.260 0.000 0.890 27 E CA -0.066 56.238 56.400 -0.160 0.000 0.749 27 E CB 1.116 30.771 29.700 -0.076 0.000 1.193 27 E HN 0.700 nan 8.360 nan 0.000 0.423 28 T N -0.462 113.944 114.554 -0.246 0.000 4.093 28 T HA -0.349 4.001 4.350 0.001 0.000 0.334 28 T C 1.145 175.671 174.700 -0.290 0.000 0.773 28 T CA 0.958 62.941 62.100 -0.194 0.000 1.900 28 T CB -1.870 66.931 68.868 -0.110 0.000 1.911 28 T HN 0.539 nan 8.240 nan 0.000 0.844 29 A N 0.767 123.230 122.820 -0.595 0.000 1.842 29 A HA 0.012 4.333 4.320 0.001 0.000 0.217 29 A C 1.846 179.323 177.584 -0.179 0.000 1.206 29 A CA 2.177 53.922 52.037 -0.486 0.000 0.630 29 A CB -1.463 17.037 19.000 -0.834 0.000 0.839 29 A HN 1.056 nan 8.150 nan 0.000 0.447 30 W N 2.109 123.270 121.300 -0.232 0.000 2.311 30 W HA -0.309 4.352 4.660 0.001 0.000 0.326 30 W C 2.530 179.017 176.519 -0.053 0.000 1.239 30 W CA 3.041 60.370 57.345 -0.027 0.000 1.258 30 W CB -0.325 29.206 29.460 0.119 0.000 1.165 30 W HN 0.438 nan 8.180 nan 0.000 0.466 31 R N 0.863 121.240 120.500 -0.204 0.000 2.185 31 R HA -0.151 4.190 4.340 0.001 0.000 0.247 31 R C 0.976 177.071 176.300 -0.342 0.000 1.159 31 R CA 1.769 57.607 56.100 -0.437 0.000 0.988 31 R CB -1.504 28.697 30.300 -0.165 0.000 0.871 31 R HN 0.409 nan 8.270 nan 0.000 0.458 32 E N 0.135 120.192 120.200 -0.237 0.000 4.138 32 E HA 0.040 4.391 4.350 0.001 0.000 0.369 32 E C 0.291 176.777 176.600 -0.189 0.000 0.995 32 E CA 0.042 56.330 56.400 -0.188 0.000 2.264 32 E CB 0.143 29.754 29.700 -0.149 0.000 1.876 32 E HN 0.060 nan 8.360 nan 0.000 0.697 33 T N -0.232 114.236 114.554 -0.144 0.000 4.526 33 T HA -0.302 4.049 4.350 0.001 0.000 0.332 33 T C 1.126 175.748 174.700 -0.129 0.000 0.846 33 T CA 1.737 63.758 62.100 -0.133 0.000 1.955 33 T CB -1.023 67.758 68.868 -0.146 0.000 2.056 33 T HN 0.472 nan 8.240 nan 0.000 0.866 34 R N -0.083 120.330 120.500 -0.145 0.000 2.159 34 R HA 0.119 4.459 4.340 0.001 0.000 0.237 34 R C 1.743 178.003 176.300 -0.066 0.000 1.131 34 R CA 1.342 57.363 56.100 -0.132 0.000 0.982 34 R CB -0.496 29.712 30.300 -0.153 0.000 0.868 34 R HN 0.664 nan 8.270 nan 0.000 0.453 35 A N 0.406 123.195 122.820 -0.051 0.000 2.791 35 A HA 0.113 4.433 4.320 0.001 0.000 0.212 35 A C 0.937 178.540 177.584 0.032 0.000 1.976 35 A CA 0.261 52.292 52.037 -0.010 0.000 0.920 35 A CB -0.094 18.899 19.000 -0.011 0.000 1.800 35 A HN 0.311 nan 8.150 nan 0.000 0.773 36 L N -2.857 118.408 121.223 0.070 0.000 5.188 36 L HA -0.213 4.127 4.340 0.001 0.000 0.431 36 L C 0.433 177.410 176.870 0.179 0.000 1.017 36 L CA 1.938 56.878 54.840 0.167 0.000 1.195 36 L CB -2.649 39.549 42.059 0.232 0.000 1.860 36 L HN 0.988 nan 8.230 nan 0.000 0.691 37 I N -3.224 117.412 120.570 0.110 0.000 2.796 37 I HA 0.367 4.537 4.170 0.001 0.000 0.277 37 I C 0.362 176.518 176.117 0.064 0.000 1.331 37 I CA -0.730 60.627 61.300 0.095 0.000 0.983 37 I CB 0.936 38.999 38.000 0.105 0.000 1.410 37 I HN -0.056 nan 8.210 nan 0.000 0.561 38 K N 2.723 123.160 120.400 0.062 0.000 2.185 38 K HA 0.265 4.586 4.320 0.001 0.000 0.271 38 K C -0.428 176.215 176.600 0.071 0.000 1.013 38 K CA -0.639 55.684 56.287 0.060 0.000 0.943 38 K CB 1.074 33.613 32.500 0.065 0.000 0.998 38 K HN 0.437 nan 8.250 nan 0.000 0.468 39 D N 2.733 123.180 120.400 0.078 0.000 2.382 39 D HA -0.044 4.597 4.640 0.001 0.000 0.259 39 D C 0.084 176.456 176.300 0.121 0.000 1.224 39 D CA 0.196 54.252 54.000 0.094 0.000 0.894 39 D CB 0.764 41.623 40.800 0.098 0.000 1.127 39 D HN 0.151 nan 8.370 nan 0.000 0.487 40 K N 4.557 125.019 120.400 0.103 0.000 2.160 40 K HA -0.104 4.217 4.320 0.001 0.000 0.263 40 K C 0.384 177.079 176.600 0.160 0.000 1.120 40 K CA 0.285 56.636 56.287 0.105 0.000 1.115 40 K CB -0.819 31.723 32.500 0.070 0.000 0.971 40 K HN 0.402 nan 8.250 nan 0.000 0.400 41 H N 1.788 120.883 119.070 0.041 0.000 1.483 41 H HA -0.296 4.260 4.556 0.001 0.000 0.099 41 H C 0.258 175.646 175.328 0.100 0.000 1.757 41 H CA 1.673 57.702 56.048 -0.031 0.000 1.888 41 H CB -0.360 29.255 29.762 -0.246 0.000 2.239 41 H HN 0.615 nan 8.280 nan 0.000 0.956 42 I N 0.019 120.929 120.570 0.568 0.000 4.187 42 I HA -0.035 4.136 4.170 0.001 0.000 0.326 42 I C 0.995 177.205 176.117 0.156 0.000 1.302 42 I CA 0.264 61.746 61.300 0.304 0.000 1.196 42 I CB 0.008 38.129 38.000 0.202 0.000 1.095 42 I HN 0.338 nan 8.210 nan 0.000 0.411 43 D N 1.721 122.154 120.400 0.054 0.000 2.371 43 D HA 0.001 4.642 4.640 0.001 0.000 0.221 43 D C 0.112 176.372 176.300 -0.066 0.000 0.986 43 D CA 0.722 54.645 54.000 -0.128 0.000 0.899 43 D CB -0.042 40.529 40.800 -0.382 0.000 0.902 43 D HN 0.355 nan 8.370 nan 0.000 0.530 44 N N 0.132 118.832 118.700 0.001 0.000 2.646 44 N HA 0.063 4.803 4.740 0.001 0.000 0.303 44 N C 0.314 175.875 175.510 0.084 0.000 1.921 44 N CA -0.050 53.018 53.050 0.030 0.000 0.872 44 N CB 1.212 39.704 38.487 0.009 0.000 1.327 44 N HN 0.044 nan 8.380 nan 0.000 0.492 45 K N 0.252 120.715 120.400 0.105 0.000 2.402 45 K HA 0.065 4.385 4.320 0.001 0.000 0.204 45 K C -0.850 175.878 176.600 0.215 0.000 1.056 45 K CA -0.417 55.953 56.287 0.140 0.000 1.069 45 K CB 0.733 33.309 32.500 0.127 0.000 0.888 45 K HN 0.196 nan 8.250 nan 0.000 0.546 46 Y N -0.774 119.545 120.300 0.032 0.000 2.531 46 Y HA -0.207 4.344 4.550 0.001 0.000 0.024 46 Y C -2.515 173.404 175.900 0.032 0.000 1.726 46 Y CA -0.546 57.573 58.100 0.032 0.000 1.401 46 Y CB -0.489 37.992 38.460 0.035 0.000 2.048 46 Y HN 0.084 nan 8.280 nan 0.000 0.258 47 P HA -0.093 nan 4.420 nan 0.000 0.226 47 P C 1.013 178.214 177.300 -0.166 0.000 1.146 47 P CA 2.144 64.773 63.100 -0.785 0.000 0.773 47 P CB 0.039 31.415 31.700 -0.541 0.000 0.772 48 R N -1.231 119.234 120.500 -0.058 0.000 2.193 48 R HA -0.039 4.302 4.340 0.001 0.000 0.229 48 R C 0.602 176.945 176.300 0.072 0.000 1.110 48 R CA 0.437 56.541 56.100 0.008 0.000 0.988 48 R CB -0.543 29.758 30.300 0.002 0.000 0.871 48 R HN 0.165 nan 8.270 nan 0.000 0.458 49 L N 2.435 123.760 121.223 0.170 0.000 2.288 49 L HA 0.155 4.496 4.340 0.001 0.000 0.283 49 L C -0.284 176.740 176.870 0.256 0.000 1.072 49 L CA -0.262 54.689 54.840 0.184 0.000 0.862 49 L CB 0.466 42.632 42.059 0.179 0.000 1.245 49 L HN -0.057 nan 8.230 nan 0.000 0.432 50 K N 5.399 125.899 120.400 0.166 0.000 2.098 50 K HA 0.743 5.063 4.320 0.001 0.000 0.258 50 K C -2.510 174.162 176.600 0.119 0.000 0.973 50 K CA -1.548 54.840 56.287 0.169 0.000 0.898 50 K CB 0.599 33.174 32.500 0.125 0.000 1.057 50 K HN 0.369 nan 8.250 nan 0.000 0.447 51 P HA 0.211 nan 4.420 nan 0.000 0.285 51 P C -0.974 176.432 177.300 0.177 0.000 1.269 51 P CA -0.730 62.456 63.100 0.143 0.000 0.844 51 P CB 1.486 33.276 31.700 0.151 0.000 1.094 52 V N -0.102 119.913 119.914 0.169 0.000 2.656 52 V HA 0.831 4.952 4.120 0.001 0.000 0.307 52 V C -1.318 174.896 176.094 0.200 0.000 1.051 52 V CA -0.898 61.455 62.300 0.088 0.000 0.893 52 V CB 1.199 33.034 31.823 0.019 0.000 0.999 52 V HN 0.741 nan 8.190 nan 0.000 0.426 53 Y N 1.211 121.518 120.300 0.011 0.000 2.521 53 Y HA 0.813 5.363 4.550 0.001 0.000 0.328 53 Y C 0.137 176.043 175.900 0.011 0.000 1.151 53 Y CA -0.830 57.275 58.100 0.010 0.000 1.054 53 Y CB 0.816 39.282 38.460 0.011 0.000 1.338 53 Y HN 1.090 nan 8.280 nan 0.000 0.453 54 G N 2.913 111.761 108.800 0.080 0.000 2.225 54 G HA2 0.225 4.186 3.960 0.001 0.000 0.245 54 G HA3 0.225 4.186 3.960 0.001 0.000 0.245 54 G C -0.721 174.205 174.900 0.043 0.000 1.249 54 G CA -0.516 44.596 45.100 0.020 0.000 0.919 54 G HN 0.793 nan 8.290 nan 0.000 0.486 55 K N 3.904 124.281 120.400 -0.038 0.000 2.316 55 K HA 0.348 4.668 4.320 0.001 0.000 0.267 55 K C -1.920 174.690 176.600 0.017 0.000 1.025 55 K CA -1.613 54.672 56.287 -0.003 0.000 0.896 55 K CB 1.289 33.738 32.500 -0.085 0.000 1.124 55 K HN 0.401 nan 8.250 nan 0.000 0.451 56 P HA 0.057 nan 4.420 nan 0.000 0.281 56 P C -0.837 176.475 177.300 0.019 0.000 1.252 56 P CA -0.339 62.786 63.100 0.041 0.000 0.778 56 P CB 0.684 32.418 31.700 0.056 0.000 0.895 57 H N 5.756 124.769 119.070 -0.094 0.000 2.928 57 H HA 0.013 4.569 4.556 0.001 0.000 0.338 57 H C -1.302 173.875 175.328 -0.251 0.000 1.047 57 H CA -1.280 54.670 56.048 -0.164 0.000 1.435 57 H CB 0.983 30.649 29.762 -0.160 0.000 1.428 57 H HN 0.276 nan 8.280 nan 0.000 0.590 58 P HA -0.195 nan 4.420 nan 0.000 0.216 58 P C 1.574 178.732 177.300 -0.238 0.000 1.150 58 P CA 1.020 63.665 63.100 -0.758 0.000 0.843 58 P CB 0.367 31.243 31.700 -1.373 0.000 0.787 59 V N -0.112 119.885 119.914 0.140 0.000 2.283 59 V HA -0.198 3.923 4.120 0.001 0.000 0.243 59 V C 2.800 178.811 176.094 -0.139 0.000 1.039 59 V CA 1.752 64.022 62.300 -0.049 0.000 1.016 59 V CB -1.121 30.605 31.823 -0.161 0.000 0.650 59 V HN -0.007 nan 8.190 nan 0.000 0.449 60 M N -0.185 119.305 119.600 -0.184 0.000 2.159 60 M HA -0.155 4.325 4.480 0.001 0.000 0.263 60 M C 2.164 178.420 176.300 -0.073 0.000 1.063 60 M CA 1.700 56.885 55.300 -0.191 0.000 1.110 60 M CB -1.261 31.230 32.600 -0.181 0.000 1.374 60 M HN 0.439 nan 8.290 nan 0.000 0.411 61 E N 0.344 120.544 120.200 0.000 0.000 2.047 61 E HA -0.112 4.238 4.350 0.001 0.000 0.191 61 E C 1.794 178.441 176.600 0.078 0.000 0.987 61 E CA 2.043 58.475 56.400 0.053 0.000 0.799 61 E CB -0.304 29.467 29.700 0.118 0.000 0.752 61 E HN 0.412 nan 8.360 nan 0.000 0.449 62 T N 0.818 115.445 114.554 0.122 0.000 2.849 62 T HA -0.126 4.225 4.350 0.001 0.000 0.270 62 T C 1.809 176.569 174.700 0.101 0.000 1.066 62 T CA 1.400 63.604 62.100 0.172 0.000 1.130 62 T CB -0.234 68.746 68.868 0.187 0.000 0.864 62 T HN 0.186 nan 8.240 nan 0.000 0.481 63 I N 0.584 121.154 120.570 0.000 0.000 2.286 63 I HA -0.069 4.102 4.170 0.001 0.000 0.245 63 I C 2.624 178.753 176.117 0.019 0.000 1.104 63 I CA 1.143 62.423 61.300 -0.033 0.000 1.397 63 I CB -0.302 37.602 38.000 -0.160 0.000 1.072 63 I HN 0.258 nan 8.210 nan 0.000 0.417 64 E N 1.002 121.209 120.200 0.011 0.000 2.418 64 E HA -0.137 4.214 4.350 0.001 0.000 0.197 64 E C 2.218 178.835 176.600 0.030 0.000 1.026 64 E CA 0.517 56.930 56.400 0.022 0.000 0.862 64 E CB 0.248 29.953 29.700 0.009 0.000 0.799 64 E HN 0.350 nan 8.360 nan 0.000 0.518 65 R N -0.368 120.158 120.500 0.044 0.000 2.105 65 R HA 0.071 4.412 4.340 0.001 0.000 0.214 65 R C 2.401 178.755 176.300 0.090 0.000 1.091 65 R CA 0.370 56.475 56.100 0.009 0.000 1.007 65 R CB -0.121 30.145 30.300 -0.057 0.000 0.912 65 R HN 0.246 nan 8.270 nan 0.000 0.450 66 L N 0.449 121.787 121.223 0.192 0.000 2.027 66 L HA -0.087 4.254 4.340 0.001 0.000 0.206 66 L C 2.799 179.751 176.870 0.137 0.000 1.074 66 L CA 1.171 56.126 54.840 0.192 0.000 0.745 66 L CB -0.451 41.708 42.059 0.166 0.000 0.898 66 L HN 0.135 nan 8.230 nan 0.000 0.433 67 R N -0.022 120.549 120.500 0.120 0.000 2.139 67 R HA -0.263 4.077 4.340 0.001 0.000 0.243 67 R C 2.240 178.575 176.300 0.058 0.000 1.145 67 R CA 1.755 57.940 56.100 0.141 0.000 0.976 67 R CB -0.020 30.391 30.300 0.184 0.000 0.866 67 R HN 0.245 nan 8.270 nan 0.000 0.449 68 Q N -0.453 119.370 119.800 0.038 0.000 2.302 68 Q HA 0.140 4.481 4.340 0.001 0.000 0.202 68 Q C 1.727 177.698 176.000 -0.049 0.000 0.936 68 Q CA 1.303 57.110 55.803 0.008 0.000 0.886 68 Q CB 0.118 28.853 28.738 -0.005 0.000 0.986 68 Q HN 0.420 nan 8.270 nan 0.000 0.487 69 A N -0.600 122.182 122.820 -0.064 0.000 1.877 69 A HA -0.198 4.122 4.320 0.001 0.000 0.216 69 A C 1.717 179.126 177.584 -0.291 0.000 1.186 69 A CA 1.498 53.450 52.037 -0.143 0.000 0.620 69 A CB -0.910 18.032 19.000 -0.098 0.000 0.822 69 A HN 0.485 nan 8.150 nan 0.000 0.443 70 Y N -0.014 119.988 120.300 -0.497 0.000 2.133 70 Y HA -0.125 4.426 4.550 0.001 0.000 0.287 70 Y C 2.272 177.959 175.900 -0.357 0.000 1.134 70 Y CA 1.556 59.218 58.100 -0.731 0.000 1.133 70 Y CB -0.531 36.968 38.460 -1.601 0.000 0.987 70 Y HN 0.155 nan 8.280 nan 0.000 0.502 71 L N -0.276 120.891 121.223 -0.093 0.000 2.137 71 L HA -0.301 4.040 4.340 0.001 0.000 0.213 71 L C 2.113 179.036 176.870 0.089 0.000 1.085 71 L CA 1.490 56.404 54.840 0.123 0.000 0.760 71 L CB -0.488 41.660 42.059 0.149 0.000 0.893 71 L HN 0.221 nan 8.230 nan 0.000 0.434 72 R N -0.848 119.660 120.500 0.014 0.000 2.299 72 R HA 0.050 4.391 4.340 0.001 0.000 0.197 72 R C 1.700 178.015 176.300 0.025 0.000 0.971 72 R CA 0.467 56.574 56.100 0.011 0.000 1.030 72 R CB 0.043 30.327 30.300 -0.026 0.000 0.932 72 R HN 0.398 nan 8.270 nan 0.000 0.477 73 M N -1.093 118.538 119.600 0.053 0.000 2.371 73 M HA 0.194 4.674 4.480 0.001 0.000 0.246 73 M C 0.755 177.226 176.300 0.286 0.000 1.103 73 M CA 0.308 55.687 55.300 0.133 0.000 1.010 73 M CB 1.369 34.003 32.600 0.056 0.000 1.457 73 M HN 0.383 nan 8.290 nan 0.000 0.486 74 G N 0.629 109.577 108.800 0.246 0.000 2.175 74 G HA2 -0.246 3.714 3.960 0.001 0.000 0.244 74 G HA3 -0.246 3.714 3.960 0.001 0.000 0.244 74 G C -0.024 175.036 174.900 0.267 0.000 0.982 74 G CA -0.502 44.718 45.100 0.202 0.000 0.641 74 G HN 0.327 nan 8.290 nan 0.000 0.527 75 F N 1.732 121.779 119.950 0.162 0.000 2.563 75 F HA 0.403 4.931 4.527 0.001 0.000 0.363 75 F C 1.063 177.123 175.800 0.433 0.000 1.123 75 F CA 0.009 58.192 58.000 0.304 0.000 1.307 75 F CB 0.687 39.950 39.000 0.438 0.000 1.115 75 F HN 0.217 nan 8.300 nan 0.000 0.592 76 E N 2.804 123.245 120.200 0.402 0.000 2.229 76 E HA 0.095 4.446 4.350 0.001 0.000 0.283 76 E C -0.565 176.026 176.600 -0.015 0.000 1.030 76 E CA -0.532 55.990 56.400 0.204 0.000 0.836 76 E CB 0.606 30.346 29.700 0.067 0.000 1.068 76 E HN 0.661 nan 8.360 nan 0.000 0.401 77 E N 4.866 124.906 120.200 -0.265 0.000 2.316 77 E HA 0.102 4.452 4.350 0.001 0.000 0.275 77 E C -0.503 175.856 176.600 -0.402 0.000 1.029 77 E CA -0.200 55.665 56.400 -0.891 0.000 0.871 77 E CB 0.573 29.920 29.700 -0.589 0.000 1.022 77 E HN 0.427 nan 8.360 nan 0.000 0.418 78 M N 3.485 122.860 119.600 -0.375 0.000 2.745 78 M HA 0.493 4.974 4.480 0.001 0.000 0.290 78 M C -0.631 175.564 176.300 -0.175 0.000 1.262 78 M CA -0.850 54.367 55.300 -0.138 0.000 0.795 78 M CB 1.466 34.112 32.600 0.077 0.000 1.758 78 M HN 0.509 nan 8.290 nan 0.000 0.461 79 I N 2.190 122.679 120.570 -0.135 0.000 2.560 79 I HA 0.221 4.391 4.170 0.001 0.000 0.278 79 I C -0.745 175.274 176.117 -0.164 0.000 1.089 79 I CA -0.572 60.635 61.300 -0.155 0.000 1.086 79 I CB 1.288 39.226 38.000 -0.104 0.000 1.202 79 I HN 0.530 nan 8.210 nan 0.000 0.471 80 N N 7.206 125.740 118.700 -0.277 0.000 2.503 80 N HA 0.308 5.048 4.740 0.001 0.000 0.267 80 N C -2.308 173.102 175.510 -0.167 0.000 1.214 80 N CA -1.041 51.848 53.050 -0.269 0.000 0.959 80 N CB 0.594 38.772 38.487 -0.515 0.000 1.142 80 N HN 0.304 nan 8.380 nan 0.000 0.455 81 P HA 0.002 nan 4.420 nan 0.000 0.264 81 P C 0.656 177.914 177.300 -0.069 0.000 1.193 81 P CA -0.081 62.980 63.100 -0.067 0.000 0.763 81 P CB 0.897 32.575 31.700 -0.037 0.000 0.810 82 V N 3.854 123.741 119.914 -0.044 0.000 2.535 82 V HA -0.039 4.081 4.120 0.001 0.000 0.246 82 V C 1.359 177.445 176.094 -0.013 0.000 1.045 82 V CA 1.190 63.485 62.300 -0.007 0.000 1.058 82 V CB -0.357 31.491 31.823 0.042 0.000 0.689 82 V HN 0.467 nan 8.190 nan 0.000 0.461 83 I N 1.901 122.445 120.570 -0.043 0.000 2.330 83 I HA 0.388 4.559 4.170 0.001 0.000 0.289 83 I C -0.503 175.570 176.117 -0.074 0.000 1.001 83 I CA -0.451 60.804 61.300 -0.074 0.000 1.193 83 I CB 1.463 39.411 38.000 -0.086 0.000 1.345 83 I HN 0.018 nan 8.210 nan 0.000 0.461 84 V N 2.023 121.880 119.914 -0.096 0.000 2.919 84 V HA 0.546 4.666 4.120 0.001 0.000 0.316 84 V C -0.385 175.628 176.094 -0.135 0.000 1.077 84 V CA -0.818 61.428 62.300 -0.090 0.000 0.977 84 V CB 2.161 33.938 31.823 -0.075 0.000 1.039 84 V HN 0.634 nan 8.190 nan 0.000 0.441 85 D N 1.656 121.989 120.400 -0.110 0.000 2.302 85 D HA 0.121 4.761 4.640 0.001 0.000 0.248 85 D C 1.322 177.512 176.300 -0.183 0.000 1.094 85 D CA 0.327 54.247 54.000 -0.133 0.000 0.897 85 D CB 1.912 42.662 40.800 -0.083 0.000 1.200 85 D HN 0.914 nan 8.370 nan 0.000 0.429 86 E N 3.065 123.125 120.200 -0.232 0.000 2.233 86 E HA -0.286 4.065 4.350 0.001 0.000 0.199 86 E C 1.804 178.185 176.600 -0.365 0.000 1.004 86 E CA 1.065 57.279 56.400 -0.310 0.000 0.819 86 E CB -0.287 29.281 29.700 -0.219 0.000 0.738 86 E HN 0.539 nan 8.360 nan 0.000 0.478 87 M N 0.592 120.063 119.600 -0.215 0.000 2.200 87 M HA -0.111 4.370 4.480 0.001 0.000 0.265 87 M C 1.688 177.950 176.300 -0.064 0.000 1.066 87 M CA 1.390 56.617 55.300 -0.121 0.000 1.127 87 M CB 0.179 32.755 32.600 -0.039 0.000 1.379 87 M HN -0.037 nan 8.290 nan 0.000 0.420 88 E N 0.471 120.629 120.200 -0.069 0.000 2.209 88 E HA -0.211 4.140 4.350 0.001 0.000 0.196 88 E C 1.903 178.516 176.600 0.021 0.000 0.993 88 E CA 1.257 57.665 56.400 0.013 0.000 0.819 88 E CB -0.518 29.209 29.700 0.045 0.000 0.745 88 E HN 0.664 nan 8.360 nan 0.000 0.477 89 I N -0.471 120.049 120.570 -0.083 0.000 2.716 89 I HA -0.188 3.982 4.170 0.001 0.000 0.259 89 I C 1.912 178.082 176.117 0.088 0.000 1.172 89 I CA 0.611 61.857 61.300 -0.089 0.000 1.478 89 I CB 0.014 37.862 38.000 -0.253 0.000 1.104 89 I HN 0.063 nan 8.210 nan 0.000 0.439 90 Y N 1.112 121.399 120.300 -0.023 0.000 2.242 90 Y HA -0.231 4.319 4.550 0.001 0.000 0.291 90 Y C 2.509 178.422 175.900 0.023 0.000 1.137 90 Y CA 0.771 58.876 58.100 0.008 0.000 1.181 90 Y CB 0.054 38.508 38.460 -0.009 0.000 0.989 90 Y HN 0.106 nan 8.280 nan 0.000 0.527 91 K N 0.130 120.629 120.400 0.166 0.000 2.057 91 K HA -0.203 4.117 4.320 0.001 0.000 0.206 91 K C 1.971 178.631 176.600 0.101 0.000 1.050 91 K CA 1.476 57.818 56.287 0.091 0.000 0.935 91 K CB -0.136 32.336 32.500 -0.046 0.000 0.715 91 K HN 0.451 nan 8.250 nan 0.000 0.439 92 Q N -0.435 119.374 119.800 0.015 0.000 1.994 92 Q HA -0.079 4.262 4.340 0.001 0.000 0.198 92 Q C 1.977 177.961 176.000 -0.026 0.000 0.976 92 Q CA 1.395 57.037 55.803 -0.269 0.000 0.828 92 Q CB -0.072 28.285 28.738 -0.634 0.000 0.894 92 Q HN 0.172 nan 8.270 nan 0.000 0.432 93 F N -0.394 119.511 119.950 -0.075 0.000 2.123 93 F HA 0.100 4.628 4.527 0.001 0.000 0.289 93 F C 1.742 177.577 175.800 0.058 0.000 1.099 93 F CA 1.412 59.437 58.000 0.041 0.000 1.234 93 F CB -0.642 38.384 39.000 0.043 0.000 1.034 93 F HN 0.301 nan 8.300 nan 0.000 0.479 94 G N 0.041 109.002 108.800 0.268 0.000 2.503 94 G HA2 -0.241 3.720 3.960 0.001 0.000 0.235 94 G HA3 -0.241 3.720 3.960 0.001 0.000 0.235 94 G C -1.949 172.973 174.900 0.038 0.000 1.179 94 G CA -0.229 44.931 45.100 0.100 0.000 0.944 94 G HN 0.072 nan 8.290 nan 0.000 0.580 95 P HA 0.066 nan 4.420 nan 0.000 0.227 95 P C 1.234 178.564 177.300 0.050 0.000 1.145 95 P CA 1.771 64.856 63.100 -0.024 0.000 0.769 95 P CB 0.049 31.740 31.700 -0.015 0.000 0.769 96 E N -0.605 119.678 120.200 0.139 0.000 2.251 96 E HA 0.013 4.364 4.350 0.001 0.000 0.194 96 E C 1.957 178.696 176.600 0.231 0.000 0.964 96 E CA 0.403 56.925 56.400 0.204 0.000 0.868 96 E CB -0.319 29.554 29.700 0.287 0.000 0.828 96 E HN 0.022 nan 8.360 nan 0.000 0.481 97 A N 2.118 125.103 122.820 0.275 0.000 1.997 97 A HA -0.246 4.074 4.320 0.001 0.000 0.221 97 A C 2.248 179.920 177.584 0.146 0.000 1.172 97 A CA 2.011 54.135 52.037 0.144 0.000 0.645 97 A CB -0.951 18.259 19.000 0.350 0.000 0.813 97 A HN 0.557 nan 8.150 nan 0.000 0.454 98 M N -2.240 117.487 119.600 0.212 0.000 2.706 98 M HA 0.197 4.677 4.480 0.001 0.000 0.251 98 M C 1.542 177.889 176.300 0.078 0.000 1.070 98 M CA 1.486 56.887 55.300 0.169 0.000 1.073 98 M CB -0.309 32.357 32.600 0.110 0.000 1.449 98 M HN 0.276 nan 8.290 nan 0.000 0.531 99 A N 0.039 122.894 122.820 0.059 0.000 2.026 99 A HA 0.224 4.545 4.320 0.001 0.000 0.198 99 A C 1.887 179.467 177.584 -0.006 0.000 1.390 99 A CA 0.363 52.420 52.037 0.034 0.000 0.915 99 A CB -0.267 18.770 19.000 0.060 0.000 0.974 99 A HN 0.274 nan 8.150 nan 0.000 0.477 100 V N 0.527 120.406 119.914 -0.059 0.000 2.548 100 V HA -0.075 4.046 4.120 0.001 0.000 0.249 100 V C 2.088 178.076 176.094 -0.177 0.000 1.055 100 V CA 1.598 63.800 62.300 -0.163 0.000 1.065 100 V CB -0.447 31.091 31.823 -0.476 0.000 0.681 100 V HN 0.537 nan 8.190 nan 0.000 0.462 101 L N 0.466 121.599 121.223 -0.149 0.000 2.447 101 L HA -0.171 4.169 4.340 0.001 0.000 0.225 101 L C 2.361 179.201 176.870 -0.049 0.000 1.148 101 L CA 1.774 56.559 54.840 -0.092 0.000 0.808 101 L CB -0.788 41.257 42.059 -0.023 0.000 0.928 101 L HN 0.485 nan 8.230 nan 0.000 0.448 102 D N 1.938 122.303 120.400 -0.059 0.000 2.311 102 D HA -0.190 4.451 4.640 0.001 0.000 0.212 102 D C 1.119 177.363 176.300 -0.094 0.000 0.972 102 D CA 0.786 54.752 54.000 -0.057 0.000 0.887 102 D CB 0.307 41.083 40.800 -0.040 0.000 0.915 102 D HN 0.479 nan 8.370 nan 0.000 0.497 103 R N -0.406 120.021 120.500 -0.122 0.000 2.886 103 R HA 0.461 4.802 4.340 0.001 0.000 0.306 103 R C -1.186 174.969 176.300 -0.241 0.000 1.300 103 R CA -0.574 55.414 56.100 -0.186 0.000 1.441 103 R CB -0.473 29.750 30.300 -0.130 0.000 1.328 103 R HN -0.111 nan 8.270 nan 0.000 0.629 104 C N 1.414 120.564 119.300 -0.250 0.000 2.607 104 C HA 0.459 4.919 4.460 0.001 0.000 0.350 104 C C -0.665 174.252 174.990 -0.121 0.000 1.101 104 C CA -1.026 57.861 59.018 -0.217 0.000 1.282 104 C CB 0.424 28.074 27.740 -0.151 0.000 1.825 104 C HN 0.558 nan 8.230 nan 0.000 0.460 105 F N 2.220 122.193 119.950 0.038 0.000 2.429 105 F HA 0.410 4.938 4.527 0.001 0.000 0.348 105 F C 0.253 176.064 175.800 0.018 0.000 1.109 105 F CA 0.174 58.208 58.000 0.056 0.000 1.232 105 F CB 0.329 39.304 39.000 -0.041 0.000 1.157 105 F HN 0.457 nan 8.300 nan 0.000 0.564 106 Y N 2.778 123.141 120.300 0.104 0.000 2.352 106 Y HA 0.464 5.014 4.550 0.001 0.000 0.339 106 Y C -0.286 175.604 175.900 -0.015 0.000 0.992 106 Y CA -1.153 56.951 58.100 0.008 0.000 1.100 106 Y CB 1.039 39.490 38.460 -0.015 0.000 1.192 106 Y HN 0.271 nan 8.280 nan 0.000 0.458 107 L N 2.817 124.067 121.223 0.045 0.000 2.464 107 L HA 0.627 4.968 4.340 0.001 0.000 0.264 107 L C 0.193 177.075 176.870 0.021 0.000 1.199 107 L CA 0.093 54.928 54.840 -0.008 0.000 0.818 107 L CB 0.301 42.324 42.059 -0.060 0.000 1.102 107 L HN 0.787 nan 8.230 nan 0.000 0.473 108 A N -0.005 122.810 122.820 -0.009 0.000 2.608 108 A HA 0.861 5.182 4.320 0.001 0.000 0.292 108 A C -0.568 177.003 177.584 -0.022 0.000 1.066 108 A CA 0.116 52.150 52.037 -0.005 0.000 0.676 108 A CB 1.306 20.306 19.000 0.001 0.000 1.277 108 A HN 0.864 nan 8.150 nan 0.000 0.413 109 G N -0.631 108.158 108.800 -0.017 0.000 2.749 109 G HA2 0.580 4.540 3.960 0.001 0.000 0.300 109 G HA3 0.580 4.540 3.960 0.001 0.000 0.300 109 G C -0.936 173.956 174.900 -0.014 0.000 1.352 109 G CA -0.708 44.380 45.100 -0.021 0.000 0.789 109 G HN 1.317 nan 8.290 nan 0.000 0.509 110 L N 2.786 124.004 121.223 -0.009 0.000 2.698 110 L HA 0.227 4.568 4.340 0.001 0.000 0.272 110 L C -1.259 175.626 176.870 0.026 0.000 1.154 110 L CA -0.379 54.467 54.840 0.009 0.000 0.964 110 L CB -0.100 41.975 42.059 0.026 0.000 1.272 110 L HN 0.415 nan 8.230 nan 0.000 0.483 111 P HA 0.400 nan 4.420 nan 0.000 0.346 111 P C -1.079 176.254 177.300 0.054 0.000 1.306 111 P CA -0.603 62.517 63.100 0.033 0.000 0.778 111 P CB 1.085 32.797 31.700 0.021 0.000 1.710 112 R N 0.051 120.579 120.500 0.047 0.000 2.473 112 R HA 0.291 4.631 4.340 0.001 0.000 0.303 112 R C -1.776 174.552 176.300 0.046 0.000 1.002 112 R CA -1.378 54.755 56.100 0.055 0.000 0.884 112 R CB 1.687 32.014 30.300 0.044 0.000 1.173 112 R HN 0.369 nan 8.270 nan 0.000 0.464 113 P HA -0.136 nan 4.420 nan 0.000 0.236 113 P C -0.747 176.570 177.300 0.030 0.000 1.172 113 P CA 0.578 63.706 63.100 0.045 0.000 0.759 113 P CB 0.192 31.931 31.700 0.064 0.000 0.843 114 D N -0.721 119.695 120.400 0.027 0.000 2.699 114 D HA -0.112 4.529 4.640 0.001 0.000 0.239 114 D C 1.145 177.451 176.300 0.010 0.000 1.136 114 D CA 0.925 54.934 54.000 0.016 0.000 0.668 114 D CB -1.525 39.282 40.800 0.012 0.000 1.060 114 D HN 0.285 nan 8.370 nan 0.000 0.429 115 V N -3.040 116.880 119.914 0.011 0.000 3.052 115 V HA 0.450 4.570 4.120 0.001 0.000 0.254 115 V C 1.259 177.349 176.094 -0.008 0.000 1.100 115 V CA 1.718 64.017 62.300 -0.000 0.000 1.112 115 V CB 0.881 32.701 31.823 -0.005 0.000 0.738 115 V HN 0.423 nan 8.190 nan 0.000 0.469 116 G N -1.403 107.394 108.800 -0.005 0.000 2.753 116 G HA2 0.478 4.439 3.960 0.001 0.000 0.303 116 G HA3 0.478 4.439 3.960 0.001 0.000 0.303 116 G C -0.347 174.549 174.900 -0.006 0.000 1.242 116 G CA -0.270 44.824 45.100 -0.009 0.000 0.810 116 G HN 0.795 nan 8.290 nan 0.000 0.515 117 L N -1.020 120.197 121.223 -0.010 0.000 4.625 117 L HA -0.126 4.215 4.340 0.001 0.000 0.428 117 L C 1.118 177.985 176.870 -0.004 0.000 1.129 117 L CA 2.598 57.434 54.840 -0.008 0.000 0.978 117 L CB -1.148 40.907 42.059 -0.006 0.000 2.043 117 L HN 2.131 nan 8.230 nan 0.000 0.847 118 G N -1.957 106.840 108.800 -0.005 0.000 4.178 118 G HA2 -0.056 3.905 3.960 0.001 0.000 0.188 118 G HA3 -0.056 3.905 3.960 0.001 0.000 0.188 118 G C 0.608 175.505 174.900 -0.004 0.000 0.968 118 G CA 0.320 45.418 45.100 -0.003 0.000 0.965 118 G HN 0.322 nan 8.290 nan 0.000 0.396 119 N N 0.952 119.649 118.700 -0.005 0.000 2.280 119 N HA 0.090 4.831 4.740 0.001 0.000 0.192 119 N C 0.571 176.076 175.510 -0.009 0.000 1.109 119 N CA 0.246 53.292 53.050 -0.006 0.000 0.855 119 N CB 0.296 38.780 38.487 -0.005 0.000 0.974 119 N HN 0.387 nan 8.380 nan 0.000 0.482 120 E N 0.780 120.973 120.200 -0.010 0.000 1.842 120 E HA 0.005 4.356 4.350 0.001 0.000 0.278 120 E C 0.005 176.597 176.600 -0.013 0.000 1.171 120 E CA 0.105 56.497 56.400 -0.014 0.000 1.127 120 E CB -0.009 29.682 29.700 -0.016 0.000 1.100 120 E HN 0.117 nan 8.360 nan 0.000 0.456 121 K N 1.461 121.854 120.400 -0.012 0.000 2.511 121 K HA 0.065 4.386 4.320 0.001 0.000 0.206 121 K C 0.978 177.571 176.600 -0.011 0.000 1.333 121 K CA 0.630 56.911 56.287 -0.011 0.000 0.957 121 K CB 1.271 33.766 32.500 -0.009 0.000 1.172 121 K HN 0.334 nan 8.250 nan 0.000 0.547 122 V N -1.129 118.779 119.914 -0.011 0.000 3.111 122 V HA 0.427 4.547 4.120 0.001 0.000 0.343 122 V C -0.433 175.653 176.094 -0.013 0.000 1.417 122 V CA -0.395 61.898 62.300 -0.011 0.000 1.142 122 V CB 0.332 32.149 31.823 -0.010 0.000 1.114 122 V HN 0.170 nan 8.190 nan 0.000 0.520 123 E N 0.226 120.416 120.200 -0.016 0.000 2.367 123 E HA 0.579 4.930 4.350 0.001 0.000 0.292 123 E C -0.807 175.779 176.600 -0.023 0.000 0.900 123 E CA -0.222 56.167 56.400 -0.019 0.000 0.807 123 E CB 2.365 32.053 29.700 -0.020 0.000 1.337 123 E HN 0.224 nan 8.360 nan 0.000 0.394 124 I N 4.702 125.257 120.570 -0.025 0.000 4.818 124 I HA 0.067 4.238 4.170 0.001 0.000 0.403 124 I C -0.470 175.631 176.117 -0.027 0.000 0.873 124 I CA 0.200 61.483 61.300 -0.028 0.000 1.509 124 I CB 0.516 38.501 38.000 -0.025 0.000 2.852 124 I HN 0.590 nan 8.210 nan 0.000 0.867 125 I N -0.999 119.557 120.570 -0.023 0.000 3.771 125 I HA 0.410 4.581 4.170 0.001 0.000 0.327 125 I C 1.193 177.297 176.117 -0.022 0.000 1.435 125 I CA 0.060 61.348 61.300 -0.021 0.000 1.259 125 I CB -0.215 37.775 38.000 -0.017 0.000 1.292 125 I HN 0.059 nan 8.210 nan 0.000 0.429 126 K N 2.211 122.594 120.400 -0.027 0.000 2.313 126 K HA 0.266 4.587 4.320 0.001 0.000 0.215 126 K C 0.154 176.734 176.600 -0.033 0.000 1.109 126 K CA 0.653 56.923 56.287 -0.028 0.000 0.895 126 K CB 0.270 32.752 32.500 -0.032 0.000 1.234 126 K HN 0.396 nan 8.250 nan 0.000 0.463 127 N N 1.504 120.177 118.700 -0.045 0.000 2.439 127 N HA 0.247 4.988 4.740 0.001 0.000 0.249 127 N C -0.702 174.782 175.510 -0.043 0.000 1.003 127 N CA -0.083 52.935 53.050 -0.053 0.000 0.942 127 N CB 1.000 39.433 38.487 -0.090 0.000 1.115 127 N HN 0.114 nan 8.380 nan 0.000 0.505 128 L N 1.750 122.957 121.223 -0.028 0.000 3.267 128 L HA 0.414 4.754 4.340 0.001 0.000 0.289 128 L C 0.439 177.304 176.870 -0.007 0.000 1.260 128 L CA -0.355 54.474 54.840 -0.018 0.000 1.034 128 L CB 0.659 42.709 42.059 -0.015 0.000 1.413 128 L HN 0.693 nan 8.230 nan 0.000 0.594 129 G N 1.947 110.744 108.800 -0.005 0.000 2.299 129 G HA2 0.005 3.966 3.960 0.001 0.000 0.219 129 G HA3 0.005 3.966 3.960 0.001 0.000 0.219 129 G C -0.360 174.549 174.900 0.016 0.000 2.786 129 G CA -0.743 44.365 45.100 0.012 0.000 1.025 129 G HN 0.264 nan 8.290 nan 0.000 0.582 130 I N -0.928 119.658 120.570 0.027 0.000 2.781 130 I HA 0.501 4.671 4.170 0.001 0.000 0.303 130 I C -0.870 175.283 176.117 0.060 0.000 1.161 130 I CA -0.449 60.871 61.300 0.033 0.000 1.341 130 I CB -0.067 37.944 38.000 0.020 0.000 1.585 130 I HN -0.003 nan 8.210 nan 0.000 0.567 131 D N 3.250 123.678 120.400 0.047 0.000 2.579 131 D HA 0.507 5.147 4.640 0.001 0.000 0.257 131 D C -0.186 176.131 176.300 0.028 0.000 1.176 131 D CA -0.406 53.621 54.000 0.045 0.000 0.914 131 D CB 2.934 43.764 40.800 0.050 0.000 1.431 131 D HN 0.435 nan 8.370 nan 0.000 0.454 132 I N -1.631 118.953 120.570 0.024 0.000 2.948 132 I HA 0.447 4.617 4.170 0.001 0.000 0.308 132 I C -1.135 174.990 176.117 0.013 0.000 1.478 132 I CA -0.438 60.872 61.300 0.017 0.000 0.843 132 I CB 0.474 38.483 38.000 0.015 0.000 2.100 132 I HN -0.006 nan 8.210 nan 0.000 0.625 133 D N 1.034 121.442 120.400 0.013 0.000 3.603 133 D HA 0.338 4.979 4.640 0.001 0.000 0.280 133 D C -0.894 175.410 176.300 0.006 0.000 1.435 133 D CA -0.439 53.567 54.000 0.009 0.000 1.005 133 D CB 0.732 41.539 40.800 0.011 0.000 1.321 133 D HN 0.428 nan 8.370 nan 0.000 0.639 134 E N 0.362 120.565 120.200 0.005 0.000 2.222 134 E HA 0.430 4.780 4.350 0.001 0.000 0.272 134 E C -1.208 175.391 176.600 -0.001 0.000 0.982 134 E CA -0.355 56.046 56.400 0.001 0.000 0.842 134 E CB 1.037 30.737 29.700 0.000 0.000 1.144 134 E HN 0.269 nan 8.360 nan 0.000 0.397 135 E N 3.301 123.495 120.200 -0.009 0.000 2.761 135 E HA 0.169 4.520 4.350 0.001 0.000 0.266 135 E C -1.021 175.560 176.600 -0.032 0.000 1.097 135 E CA -0.403 55.985 56.400 -0.020 0.000 0.773 135 E CB 1.380 31.069 29.700 -0.019 0.000 1.453 135 E HN 0.346 nan 8.360 nan 0.000 0.388 136 K N 2.046 122.425 120.400 -0.035 0.000 2.323 136 K HA -0.021 4.300 4.320 0.001 0.000 0.259 136 K C 0.444 177.012 176.600 -0.054 0.000 0.993 136 K CA 0.060 56.324 56.287 -0.039 0.000 0.866 136 K CB 0.310 32.788 32.500 -0.037 0.000 0.997 136 K HN 0.249 nan 8.250 nan 0.000 0.524 137 K N -0.087 120.285 120.400 -0.046 0.000 1.782 137 K HA -0.268 4.053 4.320 0.001 0.000 0.503 137 K C 0.367 176.941 176.600 -0.043 0.000 1.802 137 K CA 1.989 58.247 56.287 -0.049 0.000 0.860 137 K CB -0.926 31.531 32.500 -0.071 0.000 1.373 137 K HN 0.997 nan 8.250 nan 0.000 0.711 138 E N 0.394 120.567 120.200 -0.044 0.000 2.646 138 E HA 0.370 4.721 4.350 0.001 0.000 0.181 138 E C -0.126 176.450 176.600 -0.040 0.000 0.715 138 E CA -0.913 55.465 56.400 -0.036 0.000 1.031 138 E CB 0.592 30.275 29.700 -0.028 0.000 1.878 138 E HN 0.447 nan 8.360 nan 0.000 0.370 139 R N 0.699 121.180 120.500 -0.032 0.000 3.572 139 R HA 0.087 4.428 4.340 0.001 0.000 0.186 139 R C -0.711 175.569 176.300 -0.034 0.000 1.727 139 R CA -0.028 56.054 56.100 -0.030 0.000 1.267 139 R CB -0.773 29.514 30.300 -0.023 0.000 1.318 139 R HN 0.289 nan 8.270 nan 0.000 0.718 140 L N 4.349 125.545 121.223 -0.045 0.000 2.959 140 L HA 0.302 4.643 4.340 0.001 0.000 0.236 140 L C 0.055 176.899 176.870 -0.044 0.000 1.296 140 L CA -0.183 54.629 54.840 -0.047 0.000 1.047 140 L CB 0.533 42.553 42.059 -0.065 0.000 1.395 140 L HN 0.290 nan 8.230 nan 0.000 0.492 141 R N 1.916 122.399 120.500 -0.029 0.000 2.526 141 R HA -0.027 4.314 4.340 0.001 0.000 0.319 141 R C 0.190 176.490 176.300 0.001 0.000 0.888 141 R CA 0.344 56.435 56.100 -0.014 0.000 1.127 141 R CB -0.325 29.968 30.300 -0.013 0.000 0.888 141 R HN 0.475 nan 8.270 nan 0.000 0.410 142 E N 1.223 121.441 120.200 0.029 0.000 7.825 142 E HA -0.227 4.123 4.350 0.001 0.000 0.465 142 E C -0.843 175.809 176.600 0.088 0.000 0.585 142 E CA 0.484 56.938 56.400 0.090 0.000 1.026 142 E CB 0.128 29.877 29.700 0.081 0.000 0.978 142 E HN 0.384 nan 8.360 nan 0.000 0.265 143 V N 3.915 123.938 119.914 0.182 0.000 3.110 143 V HA 0.116 4.236 4.120 0.001 0.000 0.233 143 V C 0.332 176.595 176.094 0.282 0.000 1.550 143 V CA 0.257 62.671 62.300 0.191 0.000 1.186 143 V CB 0.535 32.442 31.823 0.140 0.000 1.052 143 V HN 0.554 nan 8.190 nan 0.000 0.452 144 L N 1.583 123.028 121.223 0.370 0.000 2.494 144 L HA 0.416 4.757 4.340 0.001 0.000 0.251 144 L C 0.391 177.472 176.870 0.352 0.000 1.119 144 L CA -0.300 54.700 54.840 0.267 0.000 1.026 144 L CB 0.174 42.296 42.059 0.105 0.000 1.370 144 L HN 0.327 nan 8.230 nan 0.000 0.426 145 H N 2.944 122.166 119.070 0.253 0.000 3.262 145 H HA 0.202 4.758 4.556 0.001 0.000 0.270 145 H C 0.204 175.723 175.328 0.318 0.000 1.431 145 H CA 0.075 56.320 56.048 0.329 0.000 1.237 145 H CB -0.272 29.583 29.762 0.155 0.000 1.443 145 H HN 0.444 nan 8.280 nan 0.000 0.609 146 L N 1.935 123.250 121.223 0.153 0.000 2.923 146 L HA 0.155 4.495 4.340 0.001 0.000 0.231 146 L C -0.175 176.620 176.870 -0.126 0.000 1.300 146 L CA -0.330 54.498 54.840 -0.020 0.000 1.184 146 L CB -0.419 41.596 42.059 -0.073 0.000 1.511 146 L HN 0.389 nan 8.230 nan 0.000 0.448 147 Y N 0.748 120.927 120.300 -0.201 0.000 2.581 147 Y HA 0.060 4.610 4.550 0.001 0.000 0.221 147 Y C 2.053 177.880 175.900 -0.121 0.000 1.013 147 Y CA -0.017 57.996 58.100 -0.145 0.000 1.293 147 Y CB -0.200 38.165 38.460 -0.158 0.000 1.082 147 Y HN 0.151 nan 8.280 nan 0.000 0.482 148 K N 1.221 121.665 120.400 0.074 0.000 2.458 148 K HA 0.092 4.412 4.320 0.001 0.000 0.194 148 K C 0.197 176.794 176.600 -0.006 0.000 1.024 148 K CA 0.374 56.673 56.287 0.020 0.000 1.108 148 K CB 0.067 32.577 32.500 0.016 0.000 0.846 148 K HN 0.067 nan 8.250 nan 0.000 0.518 149 K N 1.494 121.876 120.400 -0.030 0.000 2.432 149 K HA 0.149 4.469 4.320 0.001 0.000 0.226 149 K C -0.448 176.153 176.600 0.001 0.000 1.057 149 K CA -0.132 56.151 56.287 -0.006 0.000 1.034 149 K CB 0.327 32.832 32.500 0.008 0.000 1.561 149 K HN 0.385 nan 8.250 nan 0.000 0.492 150 G N 2.642 111.443 108.800 0.001 0.000 2.370 150 G HA2 -0.290 3.671 3.960 0.001 0.000 0.295 150 G HA3 -0.290 3.671 3.960 0.001 0.000 0.295 150 G C 0.156 175.046 174.900 -0.017 0.000 1.045 150 G CA 0.045 45.143 45.100 -0.003 0.000 1.199 150 G HN 0.781 nan 8.290 nan 0.000 0.513 151 A N 0.931 123.737 122.820 -0.024 0.000 2.569 151 A HA 0.371 4.692 4.320 0.001 0.000 0.288 151 A C 0.996 178.548 177.584 -0.054 0.000 1.326 151 A CA 0.509 52.518 52.037 -0.047 0.000 0.978 151 A CB -0.295 18.680 19.000 -0.041 0.000 1.054 151 A HN 0.963 nan 8.150 nan 0.000 0.558 152 I N 4.239 124.772 120.570 -0.061 0.000 2.317 152 I HA 0.215 4.386 4.170 0.001 0.000 0.286 152 I C -0.279 175.786 176.117 -0.086 0.000 1.119 152 I CA -0.239 61.025 61.300 -0.059 0.000 1.228 152 I CB -0.181 37.793 38.000 -0.043 0.000 1.476 152 I HN 0.775 nan 8.210 nan 0.000 0.514 153 D N 2.763 123.109 120.400 -0.090 0.000 2.825 153 D HA 0.566 5.207 4.640 0.001 0.000 0.327 153 D C 0.376 176.626 176.300 -0.084 0.000 1.277 153 D CA -0.378 53.557 54.000 -0.108 0.000 0.950 153 D CB 2.079 42.790 40.800 -0.148 0.000 1.438 153 D HN 0.313 nan 8.370 nan 0.000 0.526 154 G N -0.783 107.966 108.800 -0.086 0.000 3.246 154 G HA2 -0.027 3.934 3.960 0.001 0.000 0.218 154 G HA3 -0.027 3.934 3.960 0.001 0.000 0.218 154 G C -0.491 174.371 174.900 -0.064 0.000 0.978 154 G CA 0.030 45.090 45.100 -0.066 0.000 0.825 154 G HN 0.574 nan 8.290 nan 0.000 0.546 155 D N 0.268 120.623 120.400 -0.075 0.000 2.727 155 D HA 0.410 5.050 4.640 0.001 0.000 0.264 155 D C -0.105 176.143 176.300 -0.087 0.000 1.101 155 D CA -0.004 53.955 54.000 -0.070 0.000 1.122 155 D CB 1.300 42.063 40.800 -0.062 0.000 1.390 155 D HN 0.222 nan 8.370 nan 0.000 0.606 156 D N -0.420 119.934 120.400 -0.077 0.000 2.387 156 D HA 0.107 4.748 4.640 0.001 0.000 0.264 156 D C 0.980 177.220 176.300 -0.100 0.000 1.216 156 D CA -0.352 53.596 54.000 -0.087 0.000 1.138 156 D CB 0.196 40.959 40.800 -0.061 0.000 1.176 156 D HN 0.407 nan 8.370 nan 0.000 0.522 157 L N -0.010 121.167 121.223 -0.077 0.000 3.970 157 L HA -0.245 4.095 4.340 0.001 0.000 0.425 157 L C 1.754 178.552 176.870 -0.119 0.000 1.162 157 L CA 0.230 55.029 54.840 -0.069 0.000 0.968 157 L CB -1.884 40.142 42.059 -0.054 0.000 1.896 157 L HN 0.295 nan 8.230 nan 0.000 1.006 158 V N 0.227 120.027 119.914 -0.191 0.000 2.227 158 V HA -0.251 3.869 4.120 0.001 0.000 0.249 158 V C 0.988 176.794 176.094 -0.479 0.000 1.046 158 V CA 2.205 64.257 62.300 -0.414 0.000 1.015 158 V CB -0.064 31.453 31.823 -0.510 0.000 0.648 158 V HN 0.238 nan 8.190 nan 0.000 0.460 159 F N 0.364 120.304 119.950 -0.017 0.000 2.458 159 F HA 0.713 5.240 4.527 0.001 0.000 0.336 159 F C 0.395 176.189 175.800 -0.010 0.000 1.114 159 F CA -0.827 57.167 58.000 -0.010 0.000 0.987 159 F CB 1.456 40.453 39.000 -0.005 0.000 1.130 159 F HN 0.243 nan 8.300 nan 0.000 0.458 160 E N 1.562 121.866 120.200 0.175 0.000 2.417 160 E HA 0.629 4.980 4.350 0.001 0.000 0.200 160 E C -1.483 175.161 176.600 0.074 0.000 0.791 160 E CA -0.755 55.701 56.400 0.093 0.000 0.911 160 E CB 2.092 31.821 29.700 0.048 0.000 1.936 160 E HN 0.395 nan 8.360 nan 0.000 0.395 161 I N -1.082 119.515 120.570 0.045 0.000 2.984 161 I HA 0.576 4.746 4.170 0.001 0.000 0.303 161 I C -1.204 174.926 176.117 0.022 0.000 1.381 161 I CA -0.350 60.970 61.300 0.032 0.000 0.988 161 I CB 1.640 39.654 38.000 0.024 0.000 1.307 161 I HN 0.547 nan 8.210 nan 0.000 0.460 162 A N 4.642 127.472 122.820 0.018 0.000 2.290 162 A HA 0.496 4.816 4.320 0.001 0.000 0.204 162 A C -0.270 177.320 177.584 0.009 0.000 2.001 162 A CA -0.156 51.889 52.037 0.013 0.000 1.643 162 A CB -0.149 18.859 19.000 0.013 0.000 1.293 162 A HN 0.582 nan 8.150 nan 0.000 0.474 163 K N 0.710 121.115 120.400 0.008 0.000 2.262 163 K HA 0.525 4.846 4.320 0.001 0.000 0.288 163 K C -0.378 176.226 176.600 0.005 0.000 1.090 163 K CA 0.559 56.849 56.287 0.006 0.000 0.918 163 K CB -0.004 32.499 32.500 0.005 0.000 1.139 163 K HN 0.806 nan 8.250 nan 0.000 0.462 164 A N 3.402 126.225 122.820 0.005 0.000 4.047 164 A HA 0.584 4.904 4.320 0.001 0.000 0.273 164 A C -2.242 175.344 177.584 0.003 0.000 1.016 164 A CA -0.748 51.291 52.037 0.003 0.000 0.565 164 A CB 0.574 19.576 19.000 0.004 0.000 1.701 164 A HN 0.500 nan 8.150 nan 0.000 0.814 165 L N 0.008 121.233 121.223 0.002 0.000 2.545 165 L HA 0.715 5.055 4.340 0.001 0.000 0.258 165 L C -0.613 176.258 176.870 0.001 0.000 0.942 165 L CA 0.950 55.791 54.840 0.001 0.000 0.855 165 L CB 1.709 43.768 42.059 0.001 0.000 1.374 165 L HN 1.479 nan 8.230 nan 0.000 0.411 166 N N 2.606 121.307 118.700 0.001 0.000 2.643 166 N HA -0.145 4.595 4.740 0.001 0.000 0.267 166 N C -0.525 174.986 175.510 0.002 0.000 1.158 166 N CA 1.328 54.379 53.050 0.001 0.000 0.684 166 N CB -0.477 38.010 38.487 -0.000 0.000 0.879 166 N HN 0.893 nan 8.380 nan 0.000 0.553 167 V N -0.025 119.891 119.914 0.003 0.000 4.177 167 V HA 0.316 4.436 4.120 0.001 0.000 0.162 167 V C 0.254 176.353 176.094 0.008 0.000 1.439 167 V CA 1.317 63.621 62.300 0.005 0.000 0.986 167 V CB 0.108 31.935 31.823 0.006 0.000 1.049 167 V HN 0.983 nan 8.190 nan 0.000 0.594 168 S N 1.913 117.618 115.700 0.008 0.000 3.657 168 S HA -0.158 4.312 4.470 0.001 0.000 0.793 168 S C -0.316 174.292 174.600 0.014 0.000 1.375 168 S CA 0.648 58.854 58.200 0.009 0.000 1.212 168 S CB -0.621 62.583 63.200 0.007 0.000 0.468 168 S HN 0.783 nan 8.310 nan 0.000 0.550 169 N N 3.389 122.096 118.700 0.012 0.000 2.498 169 N HA 0.214 4.954 4.740 0.001 0.000 0.277 169 N C -0.019 175.501 175.510 0.017 0.000 1.208 169 N CA 0.576 53.636 53.050 0.015 0.000 1.029 169 N CB -0.090 38.402 38.487 0.009 0.000 1.403 169 N HN 0.609 nan 8.380 nan 0.000 0.500 170 E N 1.993 122.209 120.200 0.027 0.000 2.748 170 E HA 0.206 4.556 4.350 0.001 0.000 0.320 170 E C -1.763 174.864 176.600 0.045 0.000 0.996 170 E CA -0.394 56.024 56.400 0.029 0.000 0.835 170 E CB 1.203 30.914 29.700 0.018 0.000 1.265 170 E HN 0.301 nan 8.360 nan 0.000 0.420 171 M N 4.186 123.826 119.600 0.068 0.000 2.437 171 M HA 0.359 4.840 4.480 0.001 0.000 0.203 171 M C -0.246 176.138 176.300 0.140 0.000 0.957 171 M CA 0.797 56.153 55.300 0.094 0.000 0.872 171 M CB 0.987 33.661 32.600 0.124 0.000 2.556 171 M HN 0.824 nan 8.290 nan 0.000 0.428 172 G N 3.207 112.063 108.800 0.093 0.000 2.160 172 G HA2 -0.212 3.749 3.960 0.001 0.000 0.244 172 G HA3 -0.212 3.749 3.960 0.001 0.000 0.244 172 G C -0.322 174.613 174.900 0.058 0.000 1.022 172 G CA 0.230 45.391 45.100 0.102 0.000 0.741 172 G HN 0.638 nan 8.290 nan 0.000 0.508 173 L N -0.288 120.953 121.223 0.030 0.000 2.660 173 L HA 0.355 4.695 4.340 0.001 0.000 0.238 173 L C 1.153 178.015 176.870 -0.013 0.000 1.161 173 L CA 1.072 55.914 54.840 0.002 0.000 0.937 173 L CB 0.042 42.102 42.059 0.001 0.000 1.122 173 L HN 0.320 nan 8.230 nan 0.000 0.435 174 K N -0.406 119.986 120.400 -0.013 0.000 2.716 174 K HA 0.422 4.743 4.320 0.001 0.000 0.249 174 K C -0.329 176.247 176.600 -0.039 0.000 1.004 174 K CA -0.123 56.148 56.287 -0.026 0.000 0.968 174 K CB 1.952 34.448 32.500 -0.006 0.000 1.214 174 K HN -0.122 nan 8.250 nan 0.000 0.476 175 V N 0.415 120.264 119.914 -0.108 0.000 3.172 175 V HA 0.395 4.515 4.120 0.001 0.000 0.343 175 V C -0.047 175.838 176.094 -0.348 0.000 1.429 175 V CA -0.344 61.855 62.300 -0.168 0.000 1.149 175 V CB -0.494 31.195 31.823 -0.223 0.000 1.106 175 V HN 0.535 nan 8.190 nan 0.000 0.526 176 L N -1.044 120.060 121.223 -0.198 0.000 2.542 176 L HA 0.605 4.945 4.340 0.001 0.000 0.239 176 L C 1.122 177.995 176.870 0.005 0.000 1.256 176 L CA 0.029 54.781 54.840 -0.148 0.000 1.282 176 L CB 0.832 42.786 42.059 -0.175 0.000 1.667 176 L HN 0.232 nan 8.230 nan 0.000 0.484 177 E N -0.141 120.084 120.200 0.041 0.000 3.979 177 E HA -0.382 3.969 4.350 0.001 0.000 0.208 177 E C 0.774 177.415 176.600 0.068 0.000 1.230 177 E CA 2.134 58.565 56.400 0.052 0.000 2.178 177 E CB -1.332 28.386 29.700 0.028 0.000 1.846 177 E HN 0.814 nan 8.360 nan 0.000 0.311 178 T N -0.603 113.987 114.554 0.060 0.000 3.366 178 T HA 0.702 5.052 4.350 0.001 0.000 0.249 178 T C 0.071 174.825 174.700 0.090 0.000 1.028 178 T CA 0.524 62.661 62.100 0.063 0.000 0.938 178 T CB 0.400 69.295 68.868 0.045 0.000 1.046 178 T HN 0.716 nan 8.240 nan 0.000 0.587 179 A N 0.278 123.181 122.820 0.139 0.000 2.524 179 A HA 0.657 4.977 4.320 0.001 0.000 0.303 179 A C -1.058 176.730 177.584 0.340 0.000 1.195 179 A CA -1.152 51.016 52.037 0.218 0.000 0.651 179 A CB -0.166 19.014 19.000 0.299 0.000 1.323 179 A HN 0.249 nan 8.150 nan 0.000 0.479 180 F N -0.633 119.322 119.950 0.009 0.000 2.313 180 F HA -0.142 4.386 4.527 0.001 0.000 0.226 180 F C -1.171 174.687 175.800 0.096 0.000 1.032 180 F CA 1.112 59.133 58.000 0.035 0.000 0.917 180 F CB -1.148 37.839 39.000 -0.022 0.000 1.070 180 F HN 0.487 nan 8.300 nan 0.000 0.804 181 P HA -0.140 nan 4.420 nan 0.000 0.218 181 P C 0.261 177.646 177.300 0.142 0.000 1.152 181 P CA 1.371 64.548 63.100 0.127 0.000 0.826 181 P CB 0.311 32.049 31.700 0.063 0.000 0.790 182 E N -1.296 118.992 120.200 0.148 0.000 2.464 182 E HA 0.180 4.531 4.350 0.001 0.000 0.260 182 E C -0.152 176.606 176.600 0.263 0.000 1.318 182 E CA -0.318 56.169 56.400 0.145 0.000 1.571 182 E CB -0.144 29.607 29.700 0.085 0.000 1.525 182 E HN 0.194 nan 8.360 nan 0.000 0.449 183 F N 0.236 120.261 119.950 0.125 0.000 2.754 183 F HA 0.238 4.765 4.527 0.001 0.000 0.316 183 F C 1.362 177.210 175.800 0.080 0.000 0.959 183 F CA 0.243 58.331 58.000 0.147 0.000 1.148 183 F CB 0.638 39.805 39.000 0.278 0.000 0.951 183 F HN -0.140 nan 8.300 nan 0.000 0.625 184 K N 0.028 120.458 120.400 0.049 0.000 2.167 184 K HA -0.021 4.299 4.320 0.001 0.000 0.203 184 K C 0.536 177.085 176.600 -0.086 0.000 1.052 184 K CA 1.385 57.636 56.287 -0.060 0.000 0.956 184 K CB -0.038 32.484 32.500 0.038 0.000 0.735 184 K HN 0.195 nan 8.250 nan 0.000 0.451 185 D N 1.083 121.463 120.400 -0.034 0.000 2.328 185 D HA 0.019 4.659 4.640 0.001 0.000 0.221 185 D C 0.413 176.684 176.300 -0.049 0.000 1.072 185 D CA -0.024 53.956 54.000 -0.032 0.000 0.850 185 D CB 0.123 40.923 40.800 0.000 0.000 0.922 185 D HN 0.125 nan 8.370 nan 0.000 0.516 186 L N 1.562 122.730 121.223 -0.091 0.000 2.628 186 L HA -0.104 4.237 4.340 0.001 0.000 0.292 186 L C 0.447 177.271 176.870 -0.077 0.000 1.250 186 L CA 0.669 55.456 54.840 -0.087 0.000 0.892 186 L CB 0.439 42.375 42.059 -0.205 0.000 1.138 186 L HN -0.228 nan 8.230 nan 0.000 0.502 187 K N 7.064 127.441 120.400 -0.039 0.000 2.389 187 K HA 0.443 4.763 4.320 0.001 0.000 0.261 187 K C -2.423 174.161 176.600 -0.027 0.000 1.014 187 K CA -1.843 54.424 56.287 -0.034 0.000 0.920 187 K CB 1.190 33.677 32.500 -0.021 0.000 1.149 187 K HN 0.326 nan 8.250 nan 0.000 0.444 188 P HA -0.044 nan 4.420 nan 0.000 0.265 188 P C -0.872 176.419 177.300 -0.014 0.000 1.222 188 P CA 0.013 63.098 63.100 -0.025 0.000 0.767 188 P CB 0.584 32.262 31.700 -0.035 0.000 0.801 189 E N 2.850 123.046 120.200 -0.006 0.000 2.413 189 E HA 0.070 4.421 4.350 0.001 0.000 0.263 189 E C 0.353 176.955 176.600 0.002 0.000 1.015 189 E CA -0.140 56.258 56.400 -0.003 0.000 0.916 189 E CB 0.525 30.226 29.700 0.002 0.000 0.947 189 E HN 0.325 nan 8.360 nan 0.000 0.440 190 S N 2.068 117.769 115.700 0.002 0.000 2.634 190 S HA 0.228 4.698 4.470 0.001 0.000 0.254 190 S C -0.072 174.554 174.600 0.043 0.000 1.299 190 S CA 0.289 58.504 58.200 0.025 0.000 0.974 190 S CB 0.599 63.797 63.200 -0.003 0.000 1.001 190 S HN 0.690 nan 8.310 nan 0.000 0.584 191 T N -2.242 112.369 114.554 0.095 0.000 2.681 191 T HA 0.457 4.808 4.350 0.001 0.000 0.296 191 T C 0.551 175.337 174.700 0.143 0.000 1.157 191 T CA 0.004 62.152 62.100 0.080 0.000 1.025 191 T CB 0.719 69.609 68.868 0.037 0.000 1.441 191 T HN 0.627 nan 8.240 nan 0.000 0.504 192 T N -0.835 113.758 114.554 0.066 0.000 3.107 192 T HA 0.350 4.700 4.350 0.001 0.000 0.249 192 T C 0.486 175.145 174.700 -0.068 0.000 1.096 192 T CA -0.261 61.865 62.100 0.043 0.000 1.012 192 T CB -0.570 68.301 68.868 0.006 0.000 0.977 192 T HN 0.472 nan 8.240 nan 0.000 0.527 193 L N 1.978 123.154 121.223 -0.077 0.000 2.264 193 L HA 0.556 4.896 4.340 0.001 0.000 0.289 193 L C 0.309 177.019 176.870 -0.267 0.000 1.044 193 L CA -0.528 54.222 54.840 -0.149 0.000 0.807 193 L CB 1.547 43.551 42.059 -0.092 0.000 1.192 193 L HN 0.145 nan 8.230 nan 0.000 0.425 194 T N 2.473 116.800 114.554 -0.378 0.000 2.930 194 T HA 0.566 4.917 4.350 0.001 0.000 0.290 194 T C 0.737 175.276 174.700 -0.268 0.000 1.052 194 T CA -0.556 61.258 62.100 -0.477 0.000 1.017 194 T CB 1.156 69.533 68.868 -0.818 0.000 1.137 194 T HN 0.376 nan 8.240 nan 0.000 0.511 195 L N 1.910 123.011 121.223 -0.202 0.000 2.362 195 L HA 0.471 4.812 4.340 0.001 0.000 0.200 195 L C 1.295 178.143 176.870 -0.037 0.000 1.229 195 L CA 0.156 54.924 54.840 -0.119 0.000 2.770 195 L CB -0.128 41.840 42.059 -0.151 0.000 2.643 195 L HN 0.821 nan 8.230 nan 0.000 1.032 196 R N -1.912 118.646 120.500 0.095 0.000 3.304 196 R HA 0.486 4.827 4.340 0.001 0.000 0.262 196 R C -1.425 174.959 176.300 0.138 0.000 0.972 196 R CA -0.708 55.430 56.100 0.064 0.000 0.829 196 R CB 1.205 31.530 30.300 0.042 0.000 1.583 196 R HN 0.236 nan 8.270 nan 0.000 0.422 197 S N 0.117 115.893 115.700 0.126 0.000 2.546 197 S HA 0.332 4.803 4.470 0.001 0.000 0.303 197 S C -1.790 172.981 174.600 0.285 0.000 1.067 197 S CA -0.376 57.961 58.200 0.227 0.000 0.944 197 S CB 0.342 63.657 63.200 0.191 0.000 1.155 197 S HN 0.913 nan 8.310 nan 0.000 0.449 198 H N 4.015 123.177 119.070 0.153 0.000 4.495 198 H HA -0.114 4.442 4.556 0.001 0.000 0.273 198 H C 0.591 175.942 175.328 0.037 0.000 0.601 198 H CA 0.789 56.927 56.048 0.151 0.000 0.743 198 H CB -0.119 29.797 29.762 0.256 0.000 1.073 198 H HN 0.754 nan 8.280 nan 0.000 0.311 199 M N 3.825 123.601 119.600 0.293 0.000 2.521 199 M HA -0.131 4.349 4.480 0.001 0.000 0.260 199 M C 2.072 178.296 176.300 -0.126 0.000 1.068 199 M CA 1.799 56.990 55.300 -0.183 0.000 1.060 199 M CB -1.154 31.097 32.600 -0.581 0.000 1.398 199 M HN 0.605 nan 8.290 nan 0.000 0.473 200 T N 1.256 116.033 114.554 0.372 0.000 2.570 200 T HA -0.174 4.177 4.350 0.001 0.000 0.266 200 T C 1.820 176.664 174.700 0.239 0.000 1.071 200 T CA 2.487 64.827 62.100 0.401 0.000 1.172 200 T CB -0.587 68.325 68.868 0.073 0.000 0.864 200 T HN 0.661 nan 8.240 nan 0.000 0.421 201 S N 0.973 116.700 115.700 0.046 0.000 2.520 201 S HA -0.024 4.447 4.470 0.001 0.000 0.249 201 S C 1.986 176.591 174.600 0.007 0.000 0.983 201 S CA 1.170 59.350 58.200 -0.032 0.000 0.958 201 S CB -0.672 62.490 63.200 -0.064 0.000 0.750 201 S HN 0.623 nan 8.310 nan 0.000 0.527 202 G N -0.418 108.380 108.800 -0.003 0.000 2.720 202 G HA2 0.161 4.122 3.960 0.001 0.000 0.204 202 G HA3 0.161 4.122 3.960 0.001 0.000 0.204 202 G C 0.999 175.928 174.900 0.048 0.000 1.113 202 G CA -0.116 44.950 45.100 -0.056 0.000 0.805 202 G HN 0.552 nan 8.290 nan 0.000 0.536 203 W N 0.736 122.106 121.300 0.117 0.000 2.317 203 W HA -0.126 4.534 4.660 0.001 0.000 0.318 203 W C 2.271 178.787 176.519 -0.005 0.000 1.227 203 W CA 0.434 57.828 57.345 0.081 0.000 1.269 203 W CB -0.379 29.170 29.460 0.149 0.000 1.155 203 W HN 0.136 nan 8.180 nan 0.000 0.484 204 F N 0.181 120.141 119.950 0.016 0.000 2.043 204 F HA -0.362 4.166 4.527 0.001 0.000 0.297 204 F C 2.312 178.032 175.800 -0.134 0.000 1.118 204 F CA 1.530 59.309 58.000 -0.367 0.000 1.202 204 F CB -1.435 36.816 39.000 -1.249 0.000 0.965 204 F HN -0.216 nan 8.300 nan 0.000 0.482 205 I N -0.236 120.451 120.570 0.194 0.000 2.091 205 I HA -0.316 3.854 4.170 0.001 0.000 0.239 205 I C 2.286 178.521 176.117 0.197 0.000 1.061 205 I CA 2.065 63.523 61.300 0.264 0.000 1.317 205 I CB -2.190 35.925 38.000 0.190 0.000 1.031 205 I HN 0.173 nan 8.210 nan 0.000 0.401 206 T N 1.634 116.295 114.554 0.178 0.000 2.897 206 T HA -0.075 4.276 4.350 0.001 0.000 0.271 206 T C 2.071 176.881 174.700 0.183 0.000 1.084 206 T CA 1.007 63.215 62.100 0.179 0.000 1.123 206 T CB -0.175 68.834 68.868 0.234 0.000 0.865 206 T HN 0.248 nan 8.240 nan 0.000 0.496 207 L N 0.018 121.347 121.223 0.176 0.000 2.121 207 L HA 0.049 4.390 4.340 0.001 0.000 0.200 207 L C 2.789 179.728 176.870 0.116 0.000 1.077 207 L CA 0.608 55.514 54.840 0.109 0.000 0.766 207 L CB -0.799 41.280 42.059 0.033 0.000 0.931 207 L HN 0.198 nan 8.230 nan 0.000 0.452 208 S N -0.439 115.366 115.700 0.174 0.000 2.406 208 S HA -0.310 4.161 4.470 0.001 0.000 0.242 208 S C 1.630 176.317 174.600 0.144 0.000 1.079 208 S CA 2.222 60.552 58.200 0.217 0.000 1.133 208 S CB -0.320 63.097 63.200 0.363 0.000 1.005 208 S HN 0.327 nan 8.310 nan 0.000 0.443 209 S N -0.199 115.578 115.700 0.128 0.000 2.738 209 S HA 0.506 4.977 4.470 0.001 0.000 0.227 209 S C 0.049 174.692 174.600 0.073 0.000 1.311 209 S CA -0.354 57.900 58.200 0.090 0.000 1.249 209 S CB 0.075 63.324 63.200 0.082 0.000 1.030 209 S HN 0.513 nan 8.310 nan 0.000 0.512 210 L N 0.905 122.168 121.223 0.068 0.000 3.481 210 L HA 0.434 4.774 4.340 0.001 0.000 0.338 210 L C 0.986 177.877 176.870 0.034 0.000 1.039 210 L CA 0.600 55.471 54.840 0.051 0.000 1.313 210 L CB -0.246 41.850 42.059 0.061 0.000 2.046 210 L HN 0.280 nan 8.230 nan 0.000 0.609 211 I N 0.610 121.202 120.570 0.036 0.000 2.226 211 I HA -0.200 3.970 4.170 0.001 0.000 0.245 211 I C 1.745 177.873 176.117 0.019 0.000 1.100 211 I CA 1.384 62.697 61.300 0.021 0.000 1.374 211 I CB -1.059 36.958 38.000 0.027 0.000 1.057 211 I HN 0.342 nan 8.210 nan 0.000 0.413 212 K N 0.553 120.969 120.400 0.027 0.000 2.444 212 K HA 0.015 4.336 4.320 0.001 0.000 0.193 212 K C 1.629 178.240 176.600 0.019 0.000 1.024 212 K CA 0.190 56.491 56.287 0.022 0.000 1.077 212 K CB 0.275 32.791 32.500 0.027 0.000 0.833 212 K HN 0.336 nan 8.250 nan 0.000 0.517 213 K N -0.206 120.205 120.400 0.019 0.000 2.335 213 K HA 0.116 4.436 4.320 0.001 0.000 0.195 213 K C 0.682 177.288 176.600 0.010 0.000 1.058 213 K CA 0.150 56.447 56.287 0.016 0.000 0.988 213 K CB 0.592 33.105 32.500 0.021 0.000 0.880 213 K HN -0.097 nan 8.250 nan 0.000 0.513 214 R N 1.108 121.612 120.500 0.007 0.000 2.875 214 R HA 0.354 4.695 4.340 0.001 0.000 0.251 214 R C -0.619 175.678 176.300 -0.006 0.000 1.123 214 R CA -0.683 55.417 56.100 -0.001 0.000 1.064 214 R CB 0.859 31.157 30.300 -0.005 0.000 1.205 214 R HN -0.126 nan 8.270 nan 0.000 0.503 215 K N 1.207 121.600 120.400 -0.011 0.000 2.244 215 K HA 0.336 4.656 4.320 0.001 0.000 0.260 215 K C -0.580 176.005 176.600 -0.026 0.000 0.951 215 K CA -0.642 55.636 56.287 -0.015 0.000 0.826 215 K CB 0.925 33.417 32.500 -0.012 0.000 1.108 215 K HN 0.166 nan 8.250 nan 0.000 0.433 216 L N 4.598 125.803 121.223 -0.029 0.000 2.475 216 L HA 0.350 4.690 4.340 0.001 0.000 0.253 216 L C -1.522 175.322 176.870 -0.043 0.000 1.198 216 L CA -1.277 53.538 54.840 -0.042 0.000 0.814 216 L CB -0.421 41.613 42.059 -0.041 0.000 1.134 216 L HN 0.704 nan 8.230 nan 0.000 0.478 217 P HA 0.219 nan 4.420 nan 0.000 0.273 217 P C -1.330 175.912 177.300 -0.096 0.000 1.250 217 P CA -0.415 62.638 63.100 -0.078 0.000 0.793 217 P CB 0.958 32.606 31.700 -0.086 0.000 1.011 218 L N 0.712 121.859 121.223 -0.126 0.000 2.438 218 L HA 0.430 4.770 4.340 0.001 0.000 0.270 218 L C -0.591 176.144 176.870 -0.225 0.000 0.972 218 L CA -0.340 54.413 54.840 -0.145 0.000 0.831 218 L CB 1.772 43.762 42.059 -0.114 0.000 1.273 218 L HN 0.300 nan 8.230 nan 0.000 0.405 219 K N 6.254 126.490 120.400 -0.274 0.000 2.413 219 K HA 0.769 5.089 4.320 0.001 0.000 0.257 219 K C -1.506 174.926 176.600 -0.280 0.000 0.946 219 K CA -0.507 55.498 56.287 -0.470 0.000 0.823 219 K CB 1.934 33.943 32.500 -0.818 0.000 1.109 219 K HN 0.459 nan 8.250 nan 0.000 0.427 220 L N 3.363 124.478 121.223 -0.180 0.000 2.376 220 L HA 0.688 5.029 4.340 0.001 0.000 0.258 220 L C -0.903 176.119 176.870 0.254 0.000 1.013 220 L CA -1.289 53.554 54.840 0.005 0.000 0.822 220 L CB 1.453 43.409 42.059 -0.171 0.000 1.388 220 L HN 0.613 nan 8.230 nan 0.000 0.413 221 F N -0.240 119.852 119.950 0.236 0.000 2.654 221 F HA 0.790 5.318 4.527 0.001 0.000 0.308 221 F C -0.934 175.009 175.800 0.238 0.000 1.108 221 F CA -0.806 57.297 58.000 0.172 0.000 0.957 221 F CB 2.035 40.829 39.000 -0.344 0.000 1.309 221 F HN 0.308 nan 8.300 nan 0.000 0.446 222 S N 3.803 119.639 115.700 0.227 0.000 2.653 222 S HA 0.562 5.032 4.470 0.001 0.000 0.268 222 S C -1.450 173.146 174.600 -0.006 0.000 1.153 222 S CA -0.552 57.607 58.200 -0.067 0.000 1.036 222 S CB 0.379 63.438 63.200 -0.236 0.000 1.103 222 S HN 0.727 nan 8.310 nan 0.000 0.466 223 I N 4.311 124.898 120.570 0.027 0.000 2.282 223 I HA 0.430 4.601 4.170 0.001 0.000 0.290 223 I C 0.038 176.137 176.117 -0.031 0.000 1.090 223 I CA -0.255 61.051 61.300 0.010 0.000 1.231 223 I CB 0.690 38.725 38.000 0.057 0.000 1.434 223 I HN 0.583 nan 8.210 nan 0.000 0.487 224 D N 4.459 124.814 120.400 -0.075 0.000 2.732 224 D HA 0.449 5.089 4.640 0.001 0.000 0.292 224 D C -0.169 176.043 176.300 -0.146 0.000 1.135 224 D CA -0.647 53.312 54.000 -0.069 0.000 1.071 224 D CB 1.701 42.427 40.800 -0.123 0.000 1.457 224 D HN 0.218 nan 8.370 nan 0.000 0.547 225 R N -0.474 119.893 120.500 -0.223 0.000 2.637 225 R HA 0.653 4.994 4.340 0.001 0.000 0.269 225 R C -0.771 175.203 176.300 -0.543 0.000 1.089 225 R CA -0.311 55.466 56.100 -0.539 0.000 1.177 225 R CB 0.737 30.697 30.300 -0.567 0.000 1.091 225 R HN 0.400 nan 8.270 nan 0.000 0.540 226 C N 0.515 119.342 119.300 -0.789 0.000 3.285 226 C HA 0.427 4.888 4.460 0.001 0.000 0.325 226 C C -1.624 173.052 174.990 -0.524 0.000 1.304 226 C CA -0.947 57.783 59.018 -0.480 0.000 1.319 226 C CB 1.294 28.796 27.740 -0.397 0.000 1.640 226 C HN 0.694 nan 8.230 nan 0.000 0.477 227 F N 1.443 121.480 119.950 0.145 0.000 2.513 227 F HA 0.528 5.055 4.527 0.001 0.000 0.358 227 F C 0.333 176.262 175.800 0.215 0.000 1.118 227 F CA -0.494 57.653 58.000 0.246 0.000 1.037 227 F CB 0.758 39.934 39.000 0.294 0.000 1.276 227 F HN 0.389 nan 8.300 nan 0.000 0.446 228 R N 3.426 124.118 120.500 0.320 0.000 2.287 228 R HA 0.320 4.660 4.340 0.001 0.000 0.327 228 R C 0.229 176.546 176.300 0.029 0.000 1.109 228 R CA -0.693 55.476 56.100 0.116 0.000 1.013 228 R CB 0.400 30.706 30.300 0.011 0.000 1.126 228 R HN 0.671 nan 8.270 nan 0.000 0.503 229 R N 2.954 123.316 120.500 -0.230 0.000 2.488 229 R HA -0.107 4.234 4.340 0.001 0.000 0.317 229 R C -0.110 176.096 176.300 -0.155 0.000 0.941 229 R CA 0.733 56.536 56.100 -0.495 0.000 1.076 229 R CB 0.529 30.278 30.300 -0.917 0.000 0.917 229 R HN 0.697 nan 8.270 nan 0.000 0.407 230 E N 2.352 122.554 120.200 0.003 0.000 2.536 230 E HA -0.057 4.294 4.350 0.001 0.000 0.220 230 E C -0.611 176.023 176.600 0.056 0.000 0.876 230 E CA -0.106 56.307 56.400 0.023 0.000 1.190 230 E CB 0.526 30.253 29.700 0.045 0.000 1.191 230 E HN 0.622 nan 8.360 nan 0.000 0.557 231 Q N 1.745 121.625 119.800 0.132 0.000 2.449 231 Q HA -0.223 4.117 4.340 0.001 0.000 0.300 231 Q C -1.165 174.886 176.000 0.085 0.000 1.317 231 Q CA 0.579 56.463 55.803 0.136 0.000 0.836 231 Q CB -1.378 27.414 28.738 0.090 0.000 0.935 231 Q HN 0.267 nan 8.270 nan 0.000 0.305 232 R N 1.787 122.337 120.500 0.084 0.000 2.164 232 R HA -0.178 4.162 4.340 0.001 0.000 0.342 232 R C -1.071 175.250 176.300 0.036 0.000 1.144 232 R CA 1.148 57.275 56.100 0.044 0.000 1.018 232 R CB -0.332 29.984 30.300 0.026 0.000 2.924 232 R HN 0.568 nan 8.270 nan 0.000 0.497 233 E N 2.438 122.660 120.200 0.037 0.000 2.502 233 E HA 0.104 4.454 4.350 0.001 0.000 0.261 233 E C -0.685 175.933 176.600 0.030 0.000 0.974 233 E CA -0.405 56.015 56.400 0.034 0.000 0.795 233 E CB 1.363 31.091 29.700 0.048 0.000 1.385 233 E HN 0.367 nan 8.360 nan 0.000 0.400 234 D N 0.676 121.083 120.400 0.012 0.000 2.339 234 D HA 0.081 4.722 4.640 0.001 0.000 0.217 234 D C 0.762 177.073 176.300 0.020 0.000 1.050 234 D CA 0.316 54.318 54.000 0.003 0.000 0.856 234 D CB 0.500 41.290 40.800 -0.016 0.000 0.922 234 D HN 0.069 nan 8.370 nan 0.000 0.518 235 R N -0.503 120.011 120.500 0.024 0.000 2.616 235 R HA 0.362 4.703 4.340 0.001 0.000 0.427 235 R C -0.520 175.793 176.300 0.021 0.000 1.030 235 R CA -0.009 56.106 56.100 0.025 0.000 1.133 235 R CB 0.931 31.238 30.300 0.012 0.000 1.444 235 R HN -0.175 nan 8.270 nan 0.000 0.578 236 S N 0.557 116.275 115.700 0.031 0.000 2.777 236 S HA 0.183 4.654 4.470 0.001 0.000 0.140 236 S C -0.893 173.739 174.600 0.053 0.000 1.233 236 S CA -0.672 57.513 58.200 -0.025 0.000 1.157 236 S CB -0.039 63.122 63.200 -0.065 0.000 1.600 236 S HN 0.495 nan 8.310 nan 0.000 0.432 237 H N 0.403 119.487 119.070 0.023 0.000 1.848 237 H HA -0.196 4.360 4.556 0.001 0.000 0.165 237 H C -0.308 175.047 175.328 0.045 0.000 1.506 237 H CA 0.058 56.124 56.048 0.030 0.000 1.728 237 H CB -0.313 29.439 29.762 -0.018 0.000 2.014 237 H HN 0.274 nan 8.280 nan 0.000 0.908 238 L N -0.672 120.672 121.223 0.201 0.000 2.790 238 L HA 0.280 4.621 4.340 0.001 0.000 0.219 238 L C 1.878 178.854 176.870 0.176 0.000 2.006 238 L CA -0.191 54.741 54.840 0.154 0.000 2.500 238 L CB -0.407 41.745 42.059 0.155 0.000 2.732 238 L HN 0.712 nan 8.230 nan 0.000 0.605 239 M N -1.167 118.554 119.600 0.201 0.000 2.308 239 M HA 0.127 4.607 4.480 0.001 0.000 0.269 239 M C 0.082 176.579 176.300 0.329 0.000 1.040 239 M CA 0.357 55.850 55.300 0.321 0.000 1.024 239 M CB 0.924 33.727 32.600 0.338 0.000 1.465 239 M HN 0.392 nan 8.290 nan 0.000 0.517 240 S N 0.720 116.510 115.700 0.150 0.000 2.720 240 S HA 0.516 4.987 4.470 0.001 0.000 0.278 240 S C -1.333 173.198 174.600 -0.114 0.000 1.172 240 S CA -0.773 57.350 58.200 -0.128 0.000 1.019 240 S CB 0.714 63.713 63.200 -0.336 0.000 1.049 240 S HN 0.297 nan 8.310 nan 0.000 0.483 241 Y N 1.757 121.841 120.300 -0.360 0.000 2.659 241 Y HA 0.697 5.248 4.550 0.001 0.000 0.333 241 Y C -0.629 174.997 175.900 -0.457 0.000 1.064 241 Y CA -1.378 56.528 58.100 -0.324 0.000 1.141 241 Y CB 0.596 38.948 38.460 -0.181 0.000 1.316 241 Y HN 0.564 nan 8.280 nan 0.000 0.509 242 H N 0.868 119.711 119.070 -0.378 0.000 2.476 242 H HA 0.411 4.967 4.556 0.001 0.000 0.328 242 H C -0.960 174.080 175.328 -0.479 0.000 1.073 242 H CA -0.510 55.272 56.048 -0.443 0.000 1.229 242 H CB 2.052 31.674 29.762 -0.233 0.000 1.432 242 H HN 0.640 nan 8.280 nan 0.000 0.477 243 S N 2.221 117.650 115.700 -0.452 0.000 2.474 243 S HA 0.470 4.940 4.470 0.001 0.000 0.321 243 S C 0.062 174.588 174.600 -0.124 0.000 1.080 243 S CA -0.717 57.300 58.200 -0.305 0.000 1.106 243 S CB 0.216 63.159 63.200 -0.428 0.000 0.984 243 S HN 0.739 nan 8.310 nan 0.000 0.464 244 A N 4.731 127.534 122.820 -0.028 0.000 3.078 244 A HA 0.555 4.875 4.320 0.001 0.000 0.279 244 A C 0.481 178.133 177.584 0.113 0.000 1.594 244 A CA -0.458 51.606 52.037 0.045 0.000 1.301 244 A CB -0.470 18.589 19.000 0.098 0.000 1.162 244 A HN 0.680 nan 8.150 nan 0.000 0.585 245 S N -0.110 115.677 115.700 0.145 0.000 2.693 245 S HA 0.689 5.160 4.470 0.001 0.000 0.276 245 S C 0.178 175.069 174.600 0.485 0.000 1.192 245 S CA 0.020 58.451 58.200 0.384 0.000 0.994 245 S CB 0.989 64.555 63.200 0.610 0.000 1.012 245 S HN 1.366 nan 8.310 nan 0.000 0.550 246 C N -0.573 119.041 119.300 0.524 0.000 3.292 246 C HA 0.855 5.316 4.460 0.001 0.000 0.338 246 C C -1.127 173.797 174.990 -0.110 0.000 1.323 246 C CA -1.008 58.183 59.018 0.288 0.000 1.232 246 C CB 0.224 28.249 27.740 0.474 0.000 1.517 246 C HN 0.883 nan 8.230 nan 0.000 0.470 247 V N -0.776 118.877 119.914 -0.435 0.000 2.888 247 V HA 0.912 5.032 4.120 0.001 0.000 0.309 247 V C -0.912 174.980 176.094 -0.337 0.000 1.114 247 V CA -0.527 61.459 62.300 -0.523 0.000 0.940 247 V CB 1.310 32.569 31.823 -0.939 0.000 1.021 247 V HN 1.051 nan 8.190 nan 0.000 0.426 248 V N 4.037 123.787 119.914 -0.273 0.000 2.349 248 V HA 0.389 4.509 4.120 0.001 0.000 0.284 248 V C -0.028 175.934 176.094 -0.220 0.000 1.014 248 V CA -0.491 61.664 62.300 -0.242 0.000 0.826 248 V CB 1.538 33.254 31.823 -0.178 0.000 1.009 248 V HN 0.779 nan 8.190 nan 0.000 0.431 249 V N 4.598 124.390 119.914 -0.204 0.000 2.389 249 V HA 0.735 4.855 4.120 0.001 0.000 0.264 249 V C 0.834 176.856 176.094 -0.120 0.000 1.049 249 V CA 0.165 62.375 62.300 -0.150 0.000 0.932 249 V CB 0.997 32.745 31.823 -0.126 0.000 1.011 249 V HN 0.934 nan 8.190 nan 0.000 0.475 250 G N 2.680 111.419 108.800 -0.102 0.000 2.701 250 G HA2 0.429 4.390 3.960 0.001 0.000 0.300 250 G HA3 0.429 4.390 3.960 0.001 0.000 0.300 250 G C 0.194 175.059 174.900 -0.059 0.000 1.410 250 G CA -0.371 44.681 45.100 -0.081 0.000 1.014 250 G HN 0.647 nan 8.290 nan 0.000 0.509 251 E N 0.809 120.982 120.200 -0.045 0.000 2.333 251 E HA -0.091 4.260 4.350 0.001 0.000 0.198 251 E C -0.369 176.212 176.600 -0.031 0.000 1.007 251 E CA 0.852 57.233 56.400 -0.032 0.000 0.845 251 E CB 0.197 29.882 29.700 -0.025 0.000 0.766 251 E HN 0.416 nan 8.360 nan 0.000 0.507 252 D N 0.685 121.062 120.400 -0.039 0.000 2.429 252 D HA 0.136 4.776 4.640 0.001 0.000 0.255 252 D C -0.797 175.475 176.300 -0.047 0.000 1.257 252 D CA -0.138 53.840 54.000 -0.037 0.000 0.890 252 D CB 1.292 42.073 40.800 -0.031 0.000 1.267 252 D HN 0.028 nan 8.370 nan 0.000 0.521 253 V N -1.160 118.722 119.914 -0.053 0.000 3.040 253 V HA 0.958 5.079 4.120 0.001 0.000 0.312 253 V C -0.170 175.886 176.094 -0.063 0.000 1.115 253 V CA -0.615 61.647 62.300 -0.064 0.000 0.998 253 V CB 2.151 33.923 31.823 -0.084 0.000 1.042 253 V HN 0.354 nan 8.190 nan 0.000 0.433 254 S N 0.956 116.618 115.700 -0.063 0.000 2.776 254 S HA 0.527 4.997 4.470 0.001 0.000 0.292 254 S C 0.644 175.211 174.600 -0.054 0.000 1.187 254 S CA 0.086 58.248 58.200 -0.063 0.000 0.834 254 S CB 1.163 64.331 63.200 -0.054 0.000 1.199 254 S HN 1.773 nan 8.310 nan 0.000 0.514 255 V N 1.516 121.395 119.914 -0.058 0.000 2.453 255 V HA -0.198 3.922 4.120 0.001 0.000 0.252 255 V C 1.753 177.889 176.094 0.070 0.000 1.068 255 V CA 2.797 65.096 62.300 -0.002 0.000 1.070 255 V CB -1.192 30.568 31.823 -0.106 0.000 0.664 255 V HN 0.846 nan 8.190 nan 0.000 0.461 256 D N 0.109 120.493 120.400 -0.027 0.000 2.104 256 D HA -0.215 4.426 4.640 0.001 0.000 0.194 256 D C 1.731 177.978 176.300 -0.088 0.000 0.994 256 D CA 2.045 56.005 54.000 -0.066 0.000 0.830 256 D CB -0.446 40.321 40.800 -0.055 0.000 0.959 256 D HN 0.588 nan 8.370 nan 0.000 0.452 257 D N -0.160 120.200 120.400 -0.068 0.000 2.311 257 D HA -0.077 4.563 4.640 0.001 0.000 0.212 257 D C 1.988 178.208 176.300 -0.133 0.000 0.972 257 D CA 1.119 55.071 54.000 -0.080 0.000 0.887 257 D CB -0.286 40.474 40.800 -0.068 0.000 0.915 257 D HN 0.268 nan 8.370 nan 0.000 0.497 258 G N 0.295 108.996 108.800 -0.164 0.000 2.437 258 G HA2 -0.149 3.811 3.960 0.001 0.000 0.212 258 G HA3 -0.149 3.811 3.960 0.001 0.000 0.212 258 G C 1.449 175.723 174.900 -1.043 0.000 1.174 258 G CA 0.028 44.809 45.100 -0.532 0.000 0.811 258 G HN 0.154 nan 8.290 nan 0.000 0.537 259 K N 0.222 120.168 120.400 -0.756 0.000 2.009 259 K HA -0.077 4.243 4.320 0.001 0.000 0.210 259 K C 2.484 178.900 176.600 -0.307 0.000 1.049 259 K CA 1.345 57.188 56.287 -0.740 0.000 0.929 259 K CB -0.690 31.359 32.500 -0.752 0.000 0.714 259 K HN 0.151 nan 8.250 nan 0.000 0.440 260 V N 1.317 121.103 119.914 -0.214 0.000 2.324 260 V HA -0.251 3.869 4.120 0.001 0.000 0.250 260 V C 2.068 178.070 176.094 -0.152 0.000 1.060 260 V CA 1.771 64.003 62.300 -0.112 0.000 1.042 260 V CB -0.146 31.635 31.823 -0.069 0.000 0.650 260 V HN 0.143 nan 8.190 nan 0.000 0.450 261 V N 0.641 120.430 119.914 -0.209 0.000 2.261 261 V HA -0.225 3.896 4.120 0.001 0.000 0.246 261 V C 2.898 178.796 176.094 -0.325 0.000 1.047 261 V CA 2.254 64.415 62.300 -0.232 0.000 1.015 261 V CB -1.487 30.224 31.823 -0.187 0.000 0.642 261 V HN 0.677 nan 8.190 nan 0.000 0.446 262 A N -0.637 121.962 122.820 -0.368 0.000 1.948 262 A HA -0.323 3.997 4.320 0.001 0.000 0.220 262 A C 2.277 179.619 177.584 -0.404 0.000 1.177 262 A CA 2.369 54.197 52.037 -0.348 0.000 0.636 262 A CB -0.496 18.355 19.000 -0.248 0.000 0.815 262 A HN 0.691 nan 8.150 nan 0.000 0.449 263 E N -0.860 119.125 120.200 -0.359 0.000 2.008 263 E HA -0.055 4.296 4.350 0.001 0.000 0.191 263 E C 2.158 178.672 176.600 -0.144 0.000 0.986 263 E CA 0.794 56.997 56.400 -0.330 0.000 0.807 263 E CB -0.511 29.132 29.700 -0.096 0.000 0.766 263 E HN 0.447 nan 8.360 nan 0.000 0.450 264 G N 1.228 109.950 108.800 -0.130 0.000 2.516 264 G HA2 -0.250 3.711 3.960 0.001 0.000 0.221 264 G HA3 -0.250 3.711 3.960 0.001 0.000 0.221 264 G C 1.394 176.175 174.900 -0.197 0.000 1.107 264 G CA 0.917 45.946 45.100 -0.119 0.000 0.747 264 G HN 0.253 nan 8.290 nan 0.000 0.567 265 L N -0.080 120.965 121.223 -0.298 0.000 2.116 265 L HA 0.327 4.667 4.340 0.001 0.000 0.200 265 L C 2.733 179.441 176.870 -0.269 0.000 1.084 265 L CA 1.061 55.666 54.840 -0.391 0.000 0.766 265 L CB -0.574 41.160 42.059 -0.540 0.000 0.930 265 L HN 0.153 nan 8.230 nan 0.000 0.453 266 L N -0.207 120.839 121.223 -0.294 0.000 2.083 266 L HA -0.158 4.183 4.340 0.001 0.000 0.209 266 L C 2.568 179.455 176.870 0.029 0.000 1.083 266 L CA 1.071 55.734 54.840 -0.294 0.000 0.752 266 L CB -0.992 40.953 42.059 -0.190 0.000 0.899 266 L HN 0.377 nan 8.230 nan 0.000 0.433 267 A N -0.532 122.360 122.820 0.120 0.000 2.139 267 A HA -0.223 4.097 4.320 0.001 0.000 0.221 267 A C 1.974 179.649 177.584 0.152 0.000 1.159 267 A CA 1.342 53.494 52.037 0.192 0.000 0.662 267 A CB -0.402 18.685 19.000 0.146 0.000 0.796 267 A HN 0.541 nan 8.150 nan 0.000 0.463 268 Q N -2.207 117.679 119.800 0.144 0.000 2.247 268 Q HA 0.214 4.554 4.340 0.001 0.000 0.205 268 Q C -0.345 175.731 176.000 0.127 0.000 0.896 268 Q CA -0.012 55.858 55.803 0.110 0.000 0.950 268 Q CB 0.113 28.877 28.738 0.043 0.000 1.054 268 Q HN 0.718 nan 8.270 nan 0.000 0.482 269 F N -1.426 118.491 119.950 -0.056 0.000 2.856 269 F HA 0.293 4.820 4.527 0.001 0.000 0.338 269 F C 1.167 177.062 175.800 0.159 0.000 1.100 269 F CA 0.204 58.172 58.000 -0.053 0.000 1.150 269 F CB 1.539 40.366 39.000 -0.288 0.000 1.101 269 F HN 0.078 nan 8.300 nan 0.000 0.548 270 G N 0.138 109.169 108.800 0.385 0.000 2.144 270 G HA2 -0.255 3.706 3.960 0.001 0.000 0.218 270 G HA3 -0.255 3.706 3.960 0.001 0.000 0.218 270 G C -0.119 175.074 174.900 0.489 0.000 0.988 270 G CA -0.625 44.704 45.100 0.382 0.000 0.659 270 G HN 0.045 nan 8.290 nan 0.000 0.522 271 F N 1.757 121.826 119.950 0.199 0.000 2.420 271 F HA 0.550 5.077 4.527 0.001 0.000 0.352 271 F C 1.649 177.466 175.800 0.029 0.000 1.108 271 F CA 0.271 58.365 58.000 0.157 0.000 1.162 271 F CB 1.754 40.868 39.000 0.191 0.000 1.118 271 F HN 0.121 nan 8.300 nan 0.000 0.510 272 T N -1.355 113.151 114.554 -0.081 0.000 2.975 272 T HA 0.259 4.610 4.350 0.001 0.000 0.261 272 T C 0.315 174.624 174.700 -0.652 0.000 0.984 272 T CA -0.259 61.676 62.100 -0.275 0.000 0.911 272 T CB 0.058 68.828 68.868 -0.162 0.000 1.127 272 T HN 0.322 nan 8.240 nan 0.000 0.514 273 K N 1.169 121.211 120.400 -0.596 0.000 2.394 273 K HA 0.582 4.903 4.320 0.001 0.000 0.260 273 K C -0.940 175.385 176.600 -0.458 0.000 0.967 273 K CA -0.762 55.194 56.287 -0.551 0.000 0.855 273 K CB 1.519 33.831 32.500 -0.312 0.000 1.101 273 K HN 0.247 nan 8.250 nan 0.000 0.433 274 F N -0.237 119.768 119.950 0.091 0.000 1.769 274 F HA 0.330 4.858 4.527 0.001 0.000 0.246 274 F C -0.639 175.242 175.800 0.135 0.000 1.187 274 F CA -0.775 57.291 58.000 0.111 0.000 1.306 274 F CB -0.351 38.642 39.000 -0.011 0.000 1.792 274 F HN 0.283 nan 8.300 nan 0.000 0.401 275 K N 0.742 121.388 120.400 0.409 0.000 1.383 275 K HA -0.116 4.204 4.320 0.001 0.000 0.667 275 K C -1.560 174.855 176.600 -0.308 0.000 2.564 275 K CA 1.062 57.336 56.287 -0.021 0.000 1.862 275 K CB -0.991 31.609 32.500 0.167 0.000 2.791 275 K HN 0.283 nan 8.250 nan 0.000 0.165 276 F N 0.298 120.411 119.950 0.272 0.000 2.577 276 F HA 0.631 5.159 4.527 0.001 0.000 0.318 276 F C -0.076 175.796 175.800 0.120 0.000 1.065 276 F CA -0.809 57.335 58.000 0.240 0.000 0.929 276 F CB 1.879 41.037 39.000 0.264 0.000 1.237 276 F HN 0.176 nan 8.300 nan 0.000 0.468 277 K N 1.415 121.984 120.400 0.281 0.000 2.535 277 K HA 0.402 4.722 4.320 0.001 0.000 0.251 277 K C -3.024 173.635 176.600 0.098 0.000 0.942 277 K CA -2.015 54.339 56.287 0.111 0.000 0.798 277 K CB 2.446 34.921 32.500 -0.041 0.000 1.267 277 K HN 0.176 nan 8.250 nan 0.000 0.434 278 P HA -0.133 nan 4.420 nan 0.000 0.261 278 P C -0.843 176.479 177.300 0.036 0.000 1.173 278 P CA 0.301 63.405 63.100 0.007 0.000 0.760 278 P CB 0.388 32.082 31.700 -0.010 0.000 0.783 279 D N 2.855 123.276 120.400 0.035 0.000 2.277 279 D HA 0.009 4.649 4.640 0.001 0.000 0.249 279 D C 1.068 177.396 176.300 0.048 0.000 1.134 279 D CA -0.078 53.965 54.000 0.070 0.000 0.863 279 D CB 0.670 41.522 40.800 0.087 0.000 1.143 279 D HN 0.240 nan 8.370 nan 0.000 0.458 280 E N 3.169 123.403 120.200 0.056 0.000 2.150 280 E HA -0.141 4.209 4.350 0.001 0.000 0.193 280 E C 1.494 178.119 176.600 0.041 0.000 0.985 280 E CA 0.735 57.159 56.400 0.041 0.000 0.814 280 E CB 0.048 29.773 29.700 0.043 0.000 0.752 280 E HN 0.584 nan 8.360 nan 0.000 0.466 281 K N 1.019 121.452 120.400 0.056 0.000 2.127 281 K HA -0.160 4.161 4.320 0.001 0.000 0.208 281 K C 0.476 177.098 176.600 0.036 0.000 1.047 281 K CA 0.804 57.126 56.287 0.057 0.000 0.927 281 K CB -0.273 32.275 32.500 0.079 0.000 0.716 281 K HN 0.055 nan 8.250 nan 0.000 0.450 282 K N 1.496 121.910 120.400 0.022 0.000 3.490 282 K HA -0.140 4.181 4.320 0.001 0.000 0.273 282 K C -0.847 175.731 176.600 -0.036 0.000 0.916 282 K CA 0.040 56.326 56.287 -0.002 0.000 0.718 282 K CB -1.665 30.835 32.500 0.001 0.000 1.477 282 K HN 0.130 nan 8.250 nan 0.000 0.452 283 S N 1.037 116.679 115.700 -0.097 0.000 2.563 283 S HA -0.042 4.428 4.470 0.001 0.000 0.294 283 S C 1.265 175.698 174.600 -0.279 0.000 1.279 283 S CA -0.077 57.983 58.200 -0.232 0.000 1.069 283 S CB 0.771 63.641 63.200 -0.549 0.000 0.828 283 S HN 0.279 nan 8.310 nan 0.000 0.497 284 K N 1.443 121.733 120.400 -0.182 0.000 2.555 284 K HA -0.078 4.242 4.320 0.001 0.000 0.193 284 K C 0.879 177.409 176.600 -0.116 0.000 1.032 284 K CA 0.705 56.929 56.287 -0.105 0.000 1.004 284 K CB -0.151 32.339 32.500 -0.016 0.000 0.804 284 K HN 0.877 nan 8.250 nan 0.000 0.496 285 Y N -2.367 117.726 120.300 -0.346 0.000 2.468 285 Y HA 0.229 4.779 4.550 0.001 0.000 0.268 285 Y C -0.313 175.615 175.900 0.047 0.000 1.177 285 Y CA -0.843 57.080 58.100 -0.296 0.000 1.265 285 Y CB -0.289 37.747 38.460 -0.706 0.000 1.103 285 Y HN -0.118 nan 8.280 nan 0.000 0.522 286 Y N 1.640 121.717 120.300 -0.372 0.000 2.376 286 Y HA 0.292 4.843 4.550 0.001 0.000 0.340 286 Y C 0.443 176.273 175.900 -0.118 0.000 0.965 286 Y CA -1.528 56.426 58.100 -0.244 0.000 1.078 286 Y CB 1.743 39.943 38.460 -0.432 0.000 1.193 286 Y HN 0.110 nan 8.280 nan 0.000 0.452 287 T N 1.950 116.557 114.554 0.089 0.000 2.933 287 T HA 0.072 4.422 4.350 0.001 0.000 0.306 287 T C -2.626 172.062 174.700 -0.019 0.000 1.045 287 T CA -1.294 60.820 62.100 0.024 0.000 1.143 287 T CB 0.468 69.333 68.868 -0.005 0.000 1.003 287 T HN 0.245 nan 8.240 nan 0.000 0.540 288 P HA 0.073 nan 4.420 nan 0.000 0.266 288 P C 0.303 177.573 177.300 -0.050 0.000 1.193 288 P CA 0.395 63.479 63.100 -0.027 0.000 0.770 288 P CB 0.161 31.852 31.700 -0.015 0.000 0.836 289 E N -0.363 119.803 120.200 -0.056 0.000 2.791 289 E HA -0.188 4.162 4.350 0.001 0.000 0.271 289 E C 0.668 177.195 176.600 -0.121 0.000 1.044 289 E CA 1.644 58.001 56.400 -0.072 0.000 0.814 289 E CB -2.538 27.129 29.700 -0.054 0.000 1.400 289 E HN 0.727 nan 8.360 nan 0.000 0.423 290 T N -4.503 109.949 114.554 -0.170 0.000 3.028 290 T HA 0.042 4.393 4.350 0.001 0.000 0.250 290 T C 1.010 175.465 174.700 -0.407 0.000 0.979 290 T CA 0.224 62.152 62.100 -0.286 0.000 1.004 290 T CB 0.177 68.852 68.868 -0.322 0.000 1.120 290 T HN 0.105 nan 8.240 nan 0.000 0.482 291 Q N 3.528 123.152 119.800 -0.293 0.000 2.318 291 Q HA 0.174 4.515 4.340 0.001 0.000 0.270 291 Q C -0.708 175.172 176.000 -0.200 0.000 1.237 291 Q CA 0.126 55.806 55.803 -0.205 0.000 0.937 291 Q CB -0.327 28.464 28.738 0.089 0.000 1.375 291 Q HN 0.619 nan 8.270 nan 0.000 0.452 292 T N 0.942 115.253 114.554 -0.405 0.000 2.792 292 T HA 0.415 4.765 4.350 0.001 0.000 0.280 292 T C -0.249 174.429 174.700 -0.037 0.000 0.990 292 T CA -1.016 60.932 62.100 -0.254 0.000 0.960 292 T CB 1.560 70.190 68.868 -0.396 0.000 0.939 292 T HN 0.507 nan 8.240 nan 0.000 0.439 293 E N 1.442 121.759 120.200 0.195 0.000 2.392 293 E HA 0.422 4.773 4.350 0.001 0.000 0.259 293 E C -0.619 176.287 176.600 0.510 0.000 1.108 293 E CA -0.828 55.786 56.400 0.356 0.000 0.916 293 E CB 1.084 31.069 29.700 0.476 0.000 0.989 293 E HN 0.441 nan 8.360 nan 0.000 0.432 294 V N 3.309 123.509 119.914 0.476 0.000 2.320 294 V HA 0.126 4.246 4.120 0.001 0.000 0.268 294 V C -1.134 175.173 176.094 0.354 0.000 1.021 294 V CA -0.654 61.913 62.300 0.444 0.000 0.813 294 V CB -0.548 31.508 31.823 0.388 0.000 1.054 294 V HN 0.513 nan 8.190 nan 0.000 0.444 295 Y N 2.145 122.584 120.300 0.233 0.000 2.397 295 Y HA 0.586 5.136 4.550 0.001 0.000 0.335 295 Y C 0.706 176.804 175.900 0.331 0.000 1.213 295 Y CA -0.136 58.140 58.100 0.293 0.000 1.391 295 Y CB 1.035 39.710 38.460 0.358 0.000 1.293 295 Y HN 0.628 nan 8.280 nan 0.000 0.557 296 A N 2.794 125.863 122.820 0.415 0.000 2.449 296 A HA 0.642 4.963 4.320 0.001 0.000 0.302 296 A C -2.281 175.382 177.584 0.130 0.000 1.048 296 A CA -0.636 51.606 52.037 0.342 0.000 0.708 296 A CB 1.011 20.280 19.000 0.449 0.000 1.274 296 A HN 0.612 nan 8.150 nan 0.000 0.410 297 Y N 2.123 122.147 120.300 -0.460 0.000 2.445 297 Y HA 0.452 5.003 4.550 0.001 0.000 0.332 297 Y C -0.362 175.085 175.900 -0.756 0.000 1.037 297 Y CA -0.674 56.949 58.100 -0.796 0.000 1.296 297 Y CB 0.695 38.050 38.460 -1.843 0.000 1.099 297 Y HN 0.923 nan 8.280 nan 0.000 0.496 298 H N 6.545 124.925 119.070 -1.151 0.000 2.652 298 H HA 0.352 4.909 4.556 0.001 0.000 0.349 298 H C -2.389 172.342 175.328 -0.995 0.000 1.099 298 H CA -2.153 53.108 56.048 -1.312 0.000 1.417 298 H CB 1.295 30.236 29.762 -1.369 0.000 1.457 298 H HN 0.403 nan 8.280 nan 0.000 0.568 299 P HA 0.006 nan 4.420 nan 0.000 0.238 299 P C -0.591 176.311 177.300 -0.664 0.000 1.434 299 P CA 0.824 63.424 63.100 -0.833 0.000 1.292 299 P CB -0.188 31.104 31.700 -0.679 0.000 1.804 300 K N 0.490 120.522 120.400 -0.614 0.000 4.340 300 K HA 0.200 4.520 4.320 0.001 0.000 0.585 300 K C -1.100 175.327 176.600 -0.288 0.000 0.885 300 K CA -0.809 55.278 56.287 -0.334 0.000 0.862 300 K CB -0.204 32.175 32.500 -0.201 0.000 1.669 300 K HN 0.022 nan 8.250 nan 0.000 0.748 301 L N 1.157 122.310 121.223 -0.117 0.000 2.456 301 L HA 0.482 4.822 4.340 0.001 0.000 0.246 301 L C 0.164 177.037 176.870 0.005 0.000 1.238 301 L CA 2.009 56.841 54.840 -0.013 0.000 0.826 301 L CB 0.200 42.273 42.059 0.023 0.000 1.150 301 L HN 0.770 nan 8.230 nan 0.000 0.514 302 G N 1.611 110.479 108.800 0.113 0.000 2.846 302 G HA2 -0.126 3.834 3.960 0.001 0.000 0.254 302 G HA3 -0.126 3.834 3.960 0.001 0.000 0.254 302 G C -0.261 174.825 174.900 0.309 0.000 1.017 302 G CA -0.218 44.977 45.100 0.158 0.000 1.188 302 G HN 0.746 nan 8.290 nan 0.000 0.518 303 E N 0.211 120.602 120.200 0.319 0.000 2.485 303 E HA -0.023 4.327 4.350 0.001 0.000 0.266 303 E C 0.720 177.547 176.600 0.378 0.000 1.090 303 E CA 0.042 56.643 56.400 0.334 0.000 0.987 303 E CB 0.392 30.225 29.700 0.221 0.000 0.974 303 E HN 0.497 nan 8.360 nan 0.000 0.455 304 W N 1.890 123.236 121.300 0.076 0.000 2.761 304 W HA -0.006 4.654 4.660 0.001 0.000 0.375 304 W C 0.805 177.484 176.519 0.267 0.000 1.271 304 W CA 0.524 57.988 57.345 0.199 0.000 1.281 304 W CB -0.564 28.944 29.460 0.079 0.000 1.373 304 W HN 0.274 nan 8.180 nan 0.000 0.587 305 I N 2.690 123.474 120.570 0.357 0.000 2.493 305 I HA 0.229 4.400 4.170 0.001 0.000 0.298 305 I C 0.278 176.398 176.117 0.005 0.000 0.998 305 I CA -1.081 60.319 61.300 0.165 0.000 1.137 305 I CB 1.330 39.418 38.000 0.148 0.000 1.310 305 I HN 0.229 nan 8.210 nan 0.000 0.445 306 E N 5.531 125.543 120.200 -0.314 0.000 2.265 306 E HA 0.080 4.431 4.350 0.001 0.000 0.272 306 E C 0.448 177.001 176.600 -0.078 0.000 1.067 306 E CA -0.177 55.984 56.400 -0.398 0.000 0.900 306 E CB 0.897 30.250 29.700 -0.578 0.000 1.017 306 E HN 0.598 nan 8.360 nan 0.000 0.431 307 V N 1.690 121.608 119.914 0.007 0.000 3.263 307 V HA 0.474 4.594 4.120 0.001 0.000 0.248 307 V C 0.616 176.731 176.094 0.035 0.000 1.145 307 V CA 0.611 62.922 62.300 0.018 0.000 1.107 307 V CB 0.029 31.843 31.823 -0.015 0.000 0.797 307 V HN 0.559 nan 8.190 nan 0.000 0.467 308 A N -0.452 122.421 122.820 0.088 0.000 2.507 308 A HA 0.885 5.206 4.320 0.001 0.000 0.284 308 A C -0.217 177.525 177.584 0.264 0.000 1.281 308 A CA -0.002 52.131 52.037 0.160 0.000 0.744 308 A CB 1.584 20.666 19.000 0.135 0.000 1.332 308 A HN 0.729 nan 8.150 nan 0.000 0.454 309 T N -0.334 114.449 114.554 0.381 0.000 4.063 309 T HA 0.515 4.866 4.350 0.001 0.000 0.430 309 T C -1.738 173.297 174.700 0.559 0.000 1.293 309 T CA -0.252 62.110 62.100 0.436 0.000 1.109 309 T CB -0.201 68.871 68.868 0.341 0.000 1.320 309 T HN 1.796 nan 8.240 nan 0.000 0.456 310 F N 2.169 122.247 119.950 0.214 0.000 2.650 310 F HA 1.035 5.562 4.527 0.001 0.000 0.320 310 F C 0.095 175.810 175.800 -0.142 0.000 1.091 310 F CA -0.602 57.475 58.000 0.127 0.000 0.962 310 F CB 1.152 40.176 39.000 0.040 0.000 1.363 310 F HN 0.874 nan 8.300 nan 0.000 0.482 311 G N -0.228 108.249 108.800 -0.538 0.000 2.554 311 G HA2 0.564 4.525 3.960 0.001 0.000 0.306 311 G HA3 0.564 4.525 3.960 0.001 0.000 0.306 311 G C -2.454 171.844 174.900 -1.004 0.000 1.320 311 G CA -0.766 43.535 45.100 -1.332 0.000 0.800 311 G HN 0.765 nan 8.290 nan 0.000 0.481 312 V N 0.534 119.933 119.914 -0.857 0.000 2.540 312 V HA 0.376 4.496 4.120 0.001 0.000 0.302 312 V C -0.835 175.268 176.094 0.015 0.000 1.035 312 V CA -0.716 61.368 62.300 -0.360 0.000 0.873 312 V CB 1.402 33.099 31.823 -0.209 0.000 0.992 312 V HN 0.647 nan 8.190 nan 0.000 0.428 313 Y N 2.808 123.164 120.300 0.093 0.000 2.605 313 Y HA 0.108 4.658 4.550 0.001 0.000 0.336 313 Y C 1.407 177.406 175.900 0.165 0.000 1.111 313 Y CA -0.539 57.710 58.100 0.249 0.000 1.422 313 Y CB 0.770 39.303 38.460 0.122 0.000 1.193 313 Y HN 0.783 nan 8.280 nan 0.000 0.526 314 S N 4.138 120.048 115.700 0.349 0.000 2.546 314 S HA 0.003 4.474 4.470 0.001 0.000 0.290 314 S C -1.927 172.793 174.600 0.201 0.000 1.290 314 S CA -1.303 57.019 58.200 0.203 0.000 1.069 314 S CB 1.157 64.449 63.200 0.153 0.000 0.846 314 S HN 0.479 nan 8.310 nan 0.000 0.495 315 P HA -0.214 nan 4.420 nan 0.000 0.218 315 P C 1.502 178.887 177.300 0.141 0.000 1.152 315 P CA 1.074 64.250 63.100 0.127 0.000 0.857 315 P CB -0.016 31.733 31.700 0.083 0.000 0.787 316 I N -1.051 119.595 120.570 0.127 0.000 2.127 316 I HA -0.311 3.859 4.170 0.001 0.000 0.241 316 I C 1.960 178.176 176.117 0.165 0.000 1.075 316 I CA 2.053 63.425 61.300 0.119 0.000 1.334 316 I CB -0.528 37.526 38.000 0.091 0.000 1.040 316 I HN -0.091 nan 8.210 nan 0.000 0.405 317 A N 1.193 124.136 122.820 0.206 0.000 1.883 317 A HA -0.186 4.135 4.320 0.001 0.000 0.217 317 A C 2.253 180.100 177.584 0.439 0.000 1.186 317 A CA 1.807 54.008 52.037 0.272 0.000 0.624 317 A CB -1.105 18.054 19.000 0.264 0.000 0.822 317 A HN 0.583 nan 8.150 nan 0.000 0.444 318 L N -0.868 120.602 121.223 0.411 0.000 2.191 318 L HA -0.193 4.148 4.340 0.001 0.000 0.212 318 L C 3.029 180.077 176.870 0.297 0.000 1.103 318 L CA 0.812 55.867 54.840 0.358 0.000 0.769 318 L CB -0.568 41.626 42.059 0.225 0.000 0.908 318 L HN 0.480 nan 8.230 nan 0.000 0.438 319 A N 0.362 123.319 122.820 0.229 0.000 1.855 319 A HA -0.196 4.125 4.320 0.001 0.000 0.215 319 A C 2.276 179.958 177.584 0.163 0.000 1.191 319 A CA 1.409 53.543 52.037 0.162 0.000 0.613 319 A CB -0.336 18.734 19.000 0.116 0.000 0.829 319 A HN 0.276 nan 8.150 nan 0.000 0.442 320 K N -1.694 118.810 120.400 0.174 0.000 2.286 320 K HA -0.166 4.155 4.320 0.001 0.000 0.203 320 K C 0.738 177.346 176.600 0.012 0.000 1.045 320 K CA 1.451 57.785 56.287 0.079 0.000 0.935 320 K CB -0.262 32.272 32.500 0.057 0.000 0.737 320 K HN 0.664 nan 8.250 nan 0.000 0.460 321 Y N 0.428 120.811 120.300 0.138 0.000 2.524 321 Y HA 0.097 4.648 4.550 0.001 0.000 0.266 321 Y C 0.251 176.220 175.900 0.115 0.000 1.180 321 Y CA -0.367 57.824 58.100 0.151 0.000 1.244 321 Y CB -0.208 38.413 38.460 0.268 0.000 1.125 321 Y HN 0.165 nan 8.280 nan 0.000 0.524 322 N N 0.900 119.713 118.700 0.189 0.000 2.754 322 N HA -0.211 4.529 4.740 0.001 0.000 0.248 322 N C -1.055 174.536 175.510 0.135 0.000 1.093 322 N CA -0.063 53.064 53.050 0.129 0.000 0.699 322 N CB -0.957 37.587 38.487 0.094 0.000 1.016 322 N HN 0.242 nan 8.380 nan 0.000 0.552 323 I N 1.640 122.304 120.570 0.157 0.000 2.328 323 I HA 0.139 4.310 4.170 0.001 0.000 0.287 323 I C -0.056 176.115 176.117 0.090 0.000 1.012 323 I CA -0.697 60.673 61.300 0.118 0.000 1.195 323 I CB 1.128 39.200 38.000 0.121 0.000 1.350 323 I HN 0.182 nan 8.210 nan 0.000 0.464 324 D N 6.110 126.548 120.400 0.062 0.000 3.134 324 D HA 0.302 4.943 4.640 0.001 0.000 0.248 324 D C -0.296 176.024 176.300 0.033 0.000 1.273 324 D CA -0.299 53.730 54.000 0.048 0.000 0.904 324 D CB 0.761 41.583 40.800 0.038 0.000 1.089 324 D HN 0.176 nan 8.370 nan 0.000 0.478 325 V N -0.150 119.784 119.914 0.034 0.000 2.963 325 V HA 0.316 4.437 4.120 0.001 0.000 0.272 325 V C -2.706 173.394 176.094 0.011 0.000 1.559 325 V CA -1.626 60.682 62.300 0.013 0.000 0.959 325 V CB 2.341 34.162 31.823 -0.005 0.000 1.202 325 V HN 0.105 nan 8.190 nan 0.000 0.447 326 P HA 0.286 nan 4.420 nan 0.000 0.268 326 P C -1.039 176.225 177.300 -0.059 0.000 1.208 326 P CA 0.190 63.283 63.100 -0.011 0.000 0.777 326 P CB 1.162 32.848 31.700 -0.025 0.000 0.875 327 V N 3.558 123.414 119.914 -0.096 0.000 2.709 327 V HA 0.388 4.509 4.120 0.001 0.000 0.308 327 V C 0.091 175.940 176.094 -0.408 0.000 1.062 327 V CA -0.665 61.490 62.300 -0.241 0.000 0.901 327 V CB 2.136 33.816 31.823 -0.239 0.000 1.003 327 V HN 0.597 nan 8.190 nan 0.000 0.425 328 M N 4.591 123.967 119.600 -0.373 0.000 2.268 328 M HA 0.571 5.051 4.480 0.001 0.000 0.344 328 M C -1.074 175.010 176.300 -0.359 0.000 1.106 328 M CA -0.304 54.800 55.300 -0.327 0.000 1.010 328 M CB 1.012 33.514 32.600 -0.163 0.000 1.649 328 M HN 0.863 nan 8.290 nan 0.000 0.443 329 N N 4.847 123.366 118.700 -0.301 0.000 2.399 329 N HA 0.576 5.316 4.740 0.001 0.000 0.284 329 N C -2.245 173.414 175.510 0.248 0.000 1.025 329 N CA -0.600 52.409 53.050 -0.068 0.000 0.885 329 N CB 1.399 39.862 38.487 -0.040 0.000 1.339 329 N HN 0.654 nan 8.380 nan 0.000 0.487 330 L N 2.993 124.395 121.223 0.298 0.000 2.333 330 L HA 0.898 5.239 4.340 0.001 0.000 0.280 330 L C -0.090 177.043 176.870 0.438 0.000 1.004 330 L CA -0.391 54.667 54.840 0.364 0.000 0.820 330 L CB 1.414 43.541 42.059 0.114 0.000 1.247 330 L HN 0.630 nan 8.230 nan 0.000 0.416 331 G N 4.792 113.889 108.800 0.496 0.000 2.432 331 G HA2 0.652 4.612 3.960 0.001 0.000 0.331 331 G HA3 0.652 4.612 3.960 0.001 0.000 0.331 331 G C -1.909 173.103 174.900 0.186 0.000 1.170 331 G CA -0.621 44.656 45.100 0.294 0.000 0.943 331 G HN 0.789 nan 8.290 nan 0.000 0.483 332 L N 1.602 122.880 121.223 0.091 0.000 2.528 332 L HA 0.605 4.946 4.340 0.001 0.000 0.267 332 L C 0.444 177.347 176.870 0.056 0.000 0.961 332 L CA -0.874 54.004 54.840 0.063 0.000 0.866 332 L CB 1.644 43.708 42.059 0.009 0.000 1.248 332 L HN 0.723 nan 8.230 nan 0.000 0.404 333 G N 3.377 112.231 108.800 0.089 0.000 2.346 333 G HA2 0.320 4.281 3.960 0.001 0.000 0.275 333 G HA3 0.320 4.281 3.960 0.001 0.000 0.275 333 G C 0.812 175.745 174.900 0.054 0.000 1.190 333 G CA -0.292 44.888 45.100 0.133 0.000 1.015 333 G HN 0.542 nan 8.290 nan 0.000 0.441 334 V N 3.170 123.116 119.914 0.053 0.000 2.261 334 V HA -0.179 3.942 4.120 0.001 0.000 0.246 334 V C 2.667 178.769 176.094 0.013 0.000 1.047 334 V CA 2.238 64.545 62.300 0.011 0.000 1.015 334 V CB -0.596 31.230 31.823 0.005 0.000 0.642 334 V HN 0.702 nan 8.190 nan 0.000 0.446 335 E N -0.239 119.980 120.200 0.032 0.000 2.160 335 E HA -0.228 4.123 4.350 0.001 0.000 0.195 335 E C 2.192 178.792 176.600 0.000 0.000 0.991 335 E CA 1.112 57.513 56.400 0.000 0.000 0.810 335 E CB -0.287 29.393 29.700 -0.032 0.000 0.742 335 E HN 0.377 nan 8.360 nan 0.000 0.466 336 R N 0.430 120.933 120.500 0.006 0.000 2.082 336 R HA -0.107 4.234 4.340 0.001 0.000 0.228 336 R C 2.105 178.430 176.300 0.042 0.000 1.140 336 R CA 1.222 57.344 56.100 0.037 0.000 0.920 336 R CB -0.925 29.404 30.300 0.048 0.000 0.828 336 R HN 0.249 nan 8.270 nan 0.000 0.430 337 L N 0.531 121.748 121.223 -0.010 0.000 2.127 337 L HA -0.056 4.285 4.340 0.001 0.000 0.211 337 L C 2.042 178.931 176.870 0.032 0.000 1.089 337 L CA 2.158 56.963 54.840 -0.057 0.000 0.757 337 L CB -0.894 41.015 42.059 -0.250 0.000 0.899 337 L HN 0.342 nan 8.230 nan 0.000 0.434 338 A N -0.354 122.501 122.820 0.058 0.000 1.873 338 A HA -0.305 4.016 4.320 0.001 0.000 0.218 338 A C 2.280 179.980 177.584 0.192 0.000 1.193 338 A CA 2.559 54.677 52.037 0.135 0.000 0.629 338 A CB -0.645 18.379 19.000 0.041 0.000 0.826 338 A HN 0.551 nan 8.150 nan 0.000 0.447 339 M N -0.766 118.915 119.600 0.135 0.000 2.149 339 M HA -0.119 4.362 4.480 0.001 0.000 0.261 339 M C 2.121 178.559 176.300 0.230 0.000 1.064 339 M CA 1.512 56.934 55.300 0.203 0.000 1.102 339 M CB -0.657 32.053 32.600 0.183 0.000 1.369 339 M HN 0.420 nan 8.290 nan 0.000 0.408 340 I N 0.272 120.950 120.570 0.181 0.000 2.226 340 I HA -0.287 3.883 4.170 0.001 0.000 0.245 340 I C 2.300 178.508 176.117 0.152 0.000 1.100 340 I CA 1.298 62.702 61.300 0.173 0.000 1.374 340 I CB -0.458 37.672 38.000 0.217 0.000 1.057 340 I HN 0.251 nan 8.210 nan 0.000 0.413 341 I N 0.026 120.680 120.570 0.139 0.000 2.072 341 I HA -0.309 3.861 4.170 0.001 0.000 0.235 341 I C 1.939 178.024 176.117 -0.054 0.000 1.058 341 I CA 1.847 63.146 61.300 -0.002 0.000 1.320 341 I CB -0.577 37.379 38.000 -0.074 0.000 1.047 341 I HN 0.134 nan 8.210 nan 0.000 0.397 342 Y N 1.395 121.776 120.300 0.136 0.000 2.477 342 Y HA 0.246 4.797 4.550 0.001 0.000 0.303 342 Y C 1.489 177.572 175.900 0.305 0.000 1.202 342 Y CA 0.145 58.372 58.100 0.211 0.000 1.282 342 Y CB -0.888 37.699 38.460 0.211 0.000 1.071 342 Y HN 0.336 nan 8.280 nan 0.000 0.510 343 G N 0.313 109.308 108.800 0.324 0.000 2.370 343 G HA2 -0.334 3.627 3.960 0.001 0.000 0.293 343 G HA3 -0.334 3.627 3.960 0.001 0.000 0.293 343 G C -0.745 174.303 174.900 0.247 0.000 0.992 343 G CA -0.201 45.036 45.100 0.228 0.000 1.247 343 G HN 0.351 nan 8.290 nan 0.000 0.505 344 Y N -0.632 119.734 120.300 0.110 0.000 2.387 344 Y HA 0.472 5.023 4.550 0.001 0.000 0.336 344 Y C 1.371 177.313 175.900 0.070 0.000 1.067 344 Y CA -0.884 57.265 58.100 0.081 0.000 1.114 344 Y CB 1.427 39.935 38.460 0.080 0.000 1.208 344 Y HN 0.370 nan 8.280 nan 0.000 0.458 345 E N 0.394 120.673 120.200 0.132 0.000 2.048 345 E HA -0.050 4.300 4.350 0.001 0.000 0.193 345 E C -0.337 176.337 176.600 0.124 0.000 0.956 345 E CA 0.125 56.585 56.400 0.100 0.000 0.846 345 E CB 0.074 29.793 29.700 0.030 0.000 0.827 345 E HN 0.448 nan 8.360 nan 0.000 0.466 346 D N 1.197 121.653 120.400 0.093 0.000 2.382 346 D HA -0.026 4.615 4.640 0.001 0.000 0.259 346 D C 0.992 177.395 176.300 0.172 0.000 1.224 346 D CA 0.029 54.088 54.000 0.098 0.000 0.894 346 D CB 1.480 42.298 40.800 0.030 0.000 1.127 346 D HN -0.162 nan 8.370 nan 0.000 0.487 347 V N 5.823 125.834 119.914 0.162 0.000 2.255 347 V HA -0.237 3.883 4.120 0.001 0.000 0.247 347 V C 2.662 178.862 176.094 0.177 0.000 1.051 347 V CA 1.779 64.174 62.300 0.160 0.000 1.018 347 V CB -0.634 31.280 31.823 0.152 0.000 0.641 347 V HN 0.659 nan 8.190 nan 0.000 0.445 348 R N 0.776 121.379 120.500 0.172 0.000 2.096 348 R HA -0.226 4.115 4.340 0.001 0.000 0.240 348 R C 2.190 178.648 176.300 0.262 0.000 1.139 348 R CA 2.133 58.359 56.100 0.209 0.000 0.952 348 R CB -0.690 29.666 30.300 0.094 0.000 0.854 348 R HN 0.491 nan 8.270 nan 0.000 0.436 349 A N 0.531 123.474 122.820 0.206 0.000 2.186 349 A HA -0.171 4.150 4.320 0.001 0.000 0.219 349 A C 2.041 179.832 177.584 0.345 0.000 1.159 349 A CA 1.563 53.744 52.037 0.239 0.000 0.680 349 A CB -0.373 18.706 19.000 0.132 0.000 0.787 349 A HN 0.565 nan 8.150 nan 0.000 0.467 350 M N -1.377 118.387 119.600 0.273 0.000 2.738 350 M HA 0.024 4.505 4.480 0.001 0.000 0.256 350 M C 1.720 178.015 176.300 -0.009 0.000 1.253 350 M CA 1.055 56.344 55.300 -0.019 0.000 1.223 350 M CB 0.199 32.618 32.600 -0.302 0.000 1.263 350 M HN 0.105 nan 8.290 nan 0.000 0.521 351 V N 0.384 120.363 119.914 0.107 0.000 2.453 351 V HA -0.241 3.880 4.120 0.001 0.000 0.252 351 V C 0.388 176.404 176.094 -0.129 0.000 1.068 351 V CA 1.551 63.867 62.300 0.026 0.000 1.070 351 V CB -1.008 30.842 31.823 0.045 0.000 0.664 351 V HN 0.512 nan 8.190 nan 0.000 0.461 352 Y N -1.449 119.009 120.300 0.263 0.000 2.562 352 Y HA 0.382 4.932 4.550 0.001 0.000 0.363 352 Y C -1.510 174.556 175.900 0.277 0.000 0.991 352 Y CA -2.860 55.436 58.100 0.326 0.000 1.121 352 Y CB 0.236 39.001 38.460 0.509 0.000 1.159 352 Y HN 0.150 nan 8.280 nan 0.000 0.651 353 P HA -0.259 nan 4.420 nan 0.000 0.224 353 P C 0.161 177.592 177.300 0.219 0.000 1.153 353 P CA 1.767 64.958 63.100 0.152 0.000 0.947 353 P CB 0.266 31.954 31.700 -0.019 0.000 0.790 354 Q N -1.791 118.119 119.800 0.184 0.000 2.456 354 Q HA 0.278 4.618 4.340 0.001 0.000 0.234 354 Q C -0.347 175.748 176.000 0.159 0.000 1.061 354 Q CA 0.097 55.995 55.803 0.159 0.000 0.896 354 Q CB 0.367 29.137 28.738 0.054 0.000 1.233 354 Q HN 0.247 nan 8.270 nan 0.000 0.506 355 F N 1.163 121.239 119.950 0.211 0.000 3.250 355 F HA 0.070 4.598 4.527 0.001 0.000 0.380 355 F C -0.327 175.619 175.800 0.244 0.000 1.184 355 F CA -0.190 57.925 58.000 0.190 0.000 0.890 355 F CB 0.505 39.618 39.000 0.188 0.000 1.634 355 F HN 0.493 nan 8.300 nan 0.000 0.499 356 Y N -0.242 120.243 120.300 0.308 0.000 2.588 356 Y HA 0.284 4.834 4.550 0.001 0.000 0.100 356 Y C 0.311 176.301 175.900 0.150 0.000 0.966 356 Y CA -0.134 58.090 58.100 0.208 0.000 1.835 356 Y CB -0.216 38.325 38.460 0.136 0.000 1.158 356 Y HN -0.207 nan 8.280 nan 0.000 0.196 357 E N 0.613 121.097 120.200 0.474 0.000 2.416 357 E HA 0.207 4.557 4.350 0.001 0.000 0.254 357 E C -1.305 175.336 176.600 0.069 0.000 1.241 357 E CA 0.902 57.354 56.400 0.087 0.000 0.969 357 E CB 0.382 30.108 29.700 0.044 0.000 0.999 357 E HN 0.539 nan 8.360 nan 0.000 0.481 358 Y N -2.469 117.891 120.300 0.101 0.000 3.380 358 Y HA 0.175 4.726 4.550 0.001 0.000 0.336 358 Y C -0.229 175.696 175.900 0.040 0.000 0.983 358 Y CA -0.702 57.433 58.100 0.058 0.000 1.244 358 Y CB -1.192 37.293 38.460 0.042 0.000 1.331 358 Y HN 0.349 nan 8.280 nan 0.000 0.555 359 R N 3.114 123.575 120.500 -0.066 0.000 2.478 359 R HA 0.078 4.418 4.340 0.001 0.000 0.281 359 R C -0.770 175.578 176.300 0.080 0.000 0.939 359 R CA 0.452 56.545 56.100 -0.012 0.000 1.120 359 R CB 0.302 30.569 30.300 -0.055 0.000 0.885 359 R HN 0.547 nan 8.270 nan 0.000 0.415 360 L N 5.396 126.676 121.223 0.096 0.000 2.255 360 L HA 0.219 4.560 4.340 0.001 0.000 0.289 360 L C 0.544 177.442 176.870 0.046 0.000 1.046 360 L CA -0.645 54.244 54.840 0.081 0.000 0.816 360 L CB 1.418 43.529 42.059 0.086 0.000 1.197 360 L HN 0.794 nan 8.230 nan 0.000 0.427 361 S N 0.547 116.273 115.700 0.044 0.000 2.579 361 S HA 0.060 4.531 4.470 0.001 0.000 0.275 361 S C 0.813 175.433 174.600 0.034 0.000 1.345 361 S CA -0.799 57.421 58.200 0.033 0.000 1.031 361 S CB 1.079 64.305 63.200 0.044 0.000 0.892 361 S HN 0.600 nan 8.310 nan 0.000 0.529 362 D N 1.610 122.027 120.400 0.028 0.000 2.149 362 D HA -0.174 4.466 4.640 0.001 0.000 0.194 362 D C 1.905 178.235 176.300 0.050 0.000 1.001 362 D CA 1.270 55.295 54.000 0.042 0.000 0.849 362 D CB -0.220 40.616 40.800 0.060 0.000 0.939 362 D HN 0.501 nan 8.370 nan 0.000 0.449 363 R N 0.887 121.422 120.500 0.058 0.000 2.159 363 R HA -0.099 4.242 4.340 0.001 0.000 0.237 363 R C 1.557 177.881 176.300 0.039 0.000 1.131 363 R CA 0.760 56.893 56.100 0.056 0.000 0.982 363 R CB -0.393 29.959 30.300 0.086 0.000 0.868 363 R HN 0.418 nan 8.270 nan 0.000 0.453 364 D N 0.256 120.682 120.400 0.043 0.000 2.149 364 D HA -0.022 4.619 4.640 0.001 0.000 0.206 364 D C 2.050 178.361 176.300 0.018 0.000 0.967 364 D CA 0.400 54.422 54.000 0.036 0.000 0.848 364 D CB 0.064 40.891 40.800 0.045 0.000 0.998 364 D HN 0.011 nan 8.370 nan 0.000 0.474 365 I N 2.091 122.673 120.570 0.020 0.000 2.151 365 I HA -0.272 3.899 4.170 0.001 0.000 0.243 365 I C 2.657 178.774 176.117 -0.001 0.000 1.080 365 I CA 0.860 62.167 61.300 0.012 0.000 1.339 365 I CB -1.352 36.658 38.000 0.017 0.000 1.039 365 I HN -0.121 nan 8.210 nan 0.000 0.409 366 A N 0.863 123.678 122.820 -0.007 0.000 1.917 366 A HA -0.172 4.149 4.320 0.001 0.000 0.219 366 A C 2.321 179.869 177.584 -0.059 0.000 1.182 366 A CA 2.083 54.098 52.037 -0.038 0.000 0.633 366 A CB -1.376 17.583 19.000 -0.068 0.000 0.819 366 A HN 0.488 nan 8.150 nan 0.000 0.448 367 G N -1.866 106.902 108.800 -0.053 0.000 3.026 367 G HA2 0.260 4.221 3.960 0.001 0.000 0.208 367 G HA3 0.260 4.221 3.960 0.001 0.000 0.208 367 G C 0.970 175.858 174.900 -0.020 0.000 1.169 367 G CA 0.470 45.545 45.100 -0.042 0.000 0.788 367 G HN 0.488 nan 8.290 nan 0.000 0.533 368 M N -0.005 119.584 119.600 -0.017 0.000 2.300 368 M HA 0.385 4.866 4.480 0.001 0.000 0.313 368 M C 0.069 176.360 176.300 -0.015 0.000 0.988 368 M CA 0.171 55.463 55.300 -0.014 0.000 1.012 368 M CB 1.095 33.691 32.600 -0.006 0.000 1.586 368 M HN -0.002 nan 8.290 nan 0.000 0.562 369 I N 1.848 122.408 120.570 -0.016 0.000 2.243 369 I HA 0.219 4.390 4.170 0.001 0.000 0.289 369 I C 0.266 176.375 176.117 -0.012 0.000 1.140 369 I CA -0.224 61.070 61.300 -0.011 0.000 1.289 369 I CB -0.149 37.848 38.000 -0.006 0.000 1.498 369 I HN 0.210 nan 8.210 nan 0.000 0.561 370 R N 2.286 122.776 120.500 -0.017 0.000 2.652 370 R HA 0.494 4.834 4.340 0.001 0.000 0.272 370 R C -0.342 175.949 176.300 -0.015 0.000 1.162 370 R CA -0.705 55.381 56.100 -0.023 0.000 1.199 370 R CB 0.811 31.089 30.300 -0.036 0.000 1.166 370 R HN 0.151 nan 8.270 nan 0.000 0.597 371 V N 1.288 121.188 119.914 -0.024 0.000 2.407 371 V HA -0.024 4.096 4.120 0.001 0.000 0.278 371 V C 0.833 176.916 176.094 -0.019 0.000 1.037 371 V CA -0.038 62.254 62.300 -0.012 0.000 0.900 371 V CB 1.313 33.114 31.823 -0.036 0.000 0.983 371 V HN 0.793 nan 8.190 nan 0.000 0.459 372 D N 4.327 124.725 120.400 -0.004 0.000 2.157 372 D HA -0.107 4.534 4.640 0.001 0.000 0.197 372 D C 0.688 176.982 176.300 -0.010 0.000 0.995 372 D CA 1.766 55.760 54.000 -0.009 0.000 0.860 372 D CB 0.260 41.056 40.800 -0.006 0.000 1.016 372 D HN 0.579 nan 8.370 nan 0.000 0.452 373 K N -0.808 119.596 120.400 0.007 0.000 2.259 373 K HA 0.549 4.870 4.320 0.001 0.000 0.252 373 K C -1.091 175.538 176.600 0.047 0.000 0.936 373 K CA -0.998 55.297 56.287 0.014 0.000 0.810 373 K CB 3.009 35.512 32.500 0.006 0.000 1.143 373 K HN 0.142 nan 8.250 nan 0.000 0.427 374 V N -0.917 119.029 119.914 0.053 0.000 3.147 374 V HA 0.500 4.620 4.120 0.001 0.000 0.306 374 V C -2.941 173.236 176.094 0.139 0.000 1.209 374 V CA -2.717 59.649 62.300 0.110 0.000 1.023 374 V CB 1.576 33.435 31.823 0.061 0.000 1.059 374 V HN 0.529 nan 8.190 nan 0.000 0.435 375 P HA 0.323 nan 4.420 nan 0.000 0.265 375 P C 0.665 178.061 177.300 0.160 0.000 1.193 375 P CA 0.073 63.297 63.100 0.206 0.000 0.765 375 P CB 0.291 32.211 31.700 0.368 0.000 0.823 376 I N 0.172 120.788 120.570 0.076 0.000 3.855 376 I HA 0.287 4.458 4.170 0.001 0.000 0.327 376 I C -0.523 175.638 176.117 0.073 0.000 1.359 376 I CA 0.265 61.598 61.300 0.054 0.000 1.142 376 I CB -0.226 37.781 38.000 0.012 0.000 1.041 376 I HN 0.088 nan 8.210 nan 0.000 0.403 377 L N 1.722 123.031 121.223 0.144 0.000 2.372 377 L HA 0.317 4.658 4.340 0.001 0.000 0.273 377 L C 0.964 178.027 176.870 0.321 0.000 0.989 377 L CA -0.414 54.564 54.840 0.230 0.000 0.841 377 L CB 1.773 44.023 42.059 0.318 0.000 1.225 377 L HN 0.078 nan 8.230 nan 0.000 0.414 378 D N 2.092 122.624 120.400 0.220 0.000 2.191 378 D HA -0.246 4.394 4.640 0.001 0.000 0.195 378 D C 1.350 177.794 176.300 0.242 0.000 1.003 378 D CA 1.982 56.110 54.000 0.213 0.000 0.867 378 D CB 0.540 41.420 40.800 0.133 0.000 0.926 378 D HN 0.696 nan 8.370 nan 0.000 0.450 379 E N -0.958 119.383 120.200 0.236 0.000 2.017 379 E HA -0.169 4.181 4.350 0.001 0.000 0.193 379 E C 2.346 178.947 176.600 0.003 0.000 0.997 379 E CA 0.962 57.409 56.400 0.079 0.000 0.804 379 E CB -0.320 29.436 29.700 0.094 0.000 0.757 379 E HN 0.334 nan 8.360 nan 0.000 0.448 380 F N 0.146 120.158 119.950 0.104 0.000 2.102 380 F HA -0.211 4.316 4.527 0.001 0.000 0.298 380 F C 2.408 178.338 175.800 0.215 0.000 1.105 380 F CA 1.235 59.336 58.000 0.169 0.000 1.239 380 F CB -0.929 38.244 39.000 0.288 0.000 0.991 380 F HN 0.087 nan 8.300 nan 0.000 0.474 381 Y N 1.545 122.026 120.300 0.302 0.000 2.069 381 Y HA -0.341 4.210 4.550 0.001 0.000 0.278 381 Y C 2.109 178.079 175.900 0.116 0.000 1.175 381 Y CA 2.133 60.339 58.100 0.177 0.000 1.134 381 Y CB -1.189 37.295 38.460 0.041 0.000 0.965 381 Y HN 0.139 nan 8.280 nan 0.000 0.498 382 N N -0.883 117.832 118.700 0.025 0.000 2.104 382 N HA -0.261 4.479 4.740 0.001 0.000 0.190 382 N C 1.851 177.273 175.510 -0.146 0.000 1.024 382 N CA 1.252 54.235 53.050 -0.111 0.000 0.853 382 N CB -0.599 37.871 38.487 -0.027 0.000 1.008 382 N HN 0.430 nan 8.380 nan 0.000 0.424 383 F N 2.048 121.853 119.950 -0.242 0.000 2.161 383 F HA -0.194 4.333 4.527 0.001 0.000 0.300 383 F C 2.299 177.986 175.800 -0.188 0.000 1.089 383 F CA 1.187 59.030 58.000 -0.263 0.000 1.282 383 F CB -0.192 38.588 39.000 -0.367 0.000 1.010 383 F HN -0.021 nan 8.300 nan 0.000 0.485 384 A N 1.167 123.886 122.820 -0.169 0.000 1.834 384 A HA -0.283 4.037 4.320 0.001 0.000 0.216 384 A C 2.117 179.419 177.584 -0.470 0.000 1.203 384 A CA 2.066 53.919 52.037 -0.307 0.000 0.621 384 A CB -1.305 17.612 19.000 -0.139 0.000 0.841 384 A HN 0.554 nan 8.150 nan 0.000 0.446 385 N N -0.228 118.208 118.700 -0.441 0.000 2.069 385 N HA -0.247 4.494 4.740 0.001 0.000 0.196 385 N C 1.755 177.066 175.510 -0.331 0.000 1.024 385 N CA 1.843 54.668 53.050 -0.375 0.000 0.869 385 N CB -0.516 37.778 38.487 -0.322 0.000 1.035 385 N HN 0.793 nan 8.380 nan 0.000 0.434 386 E N 0.556 120.548 120.200 -0.347 0.000 2.072 386 E HA -0.108 4.243 4.350 0.001 0.000 0.191 386 E C 1.955 178.319 176.600 -0.392 0.000 0.985 386 E CA 0.395 56.603 56.400 -0.320 0.000 0.801 386 E CB -0.008 29.515 29.700 -0.296 0.000 0.750 386 E HN 0.134 nan 8.360 nan 0.000 0.452 387 L N 1.324 122.185 121.223 -0.604 0.000 2.201 387 L HA -0.123 4.218 4.340 0.001 0.000 0.212 387 L C 1.996 178.650 176.870 -0.360 0.000 1.105 387 L CA 1.306 55.792 54.840 -0.590 0.000 0.775 387 L CB -0.539 40.993 42.059 -0.878 0.000 0.913 387 L HN 0.309 nan 8.230 nan 0.000 0.440 388 I N -0.277 120.082 120.570 -0.352 0.000 2.233 388 I HA -0.271 3.899 4.170 0.001 0.000 0.243 388 I C 2.094 178.093 176.117 -0.197 0.000 1.093 388 I CA 1.200 62.335 61.300 -0.276 0.000 1.380 388 I CB -0.388 37.417 38.000 -0.326 0.000 1.067 388 I HN 0.211 nan 8.210 nan 0.000 0.413 389 D N 0.980 121.266 120.400 -0.190 0.000 2.218 389 D HA -0.123 4.518 4.640 0.001 0.000 0.204 389 D C 2.242 178.471 176.300 -0.119 0.000 0.976 389 D CA 1.245 55.163 54.000 -0.138 0.000 0.853 389 D CB 0.071 40.794 40.800 -0.129 0.000 0.939 389 D HN 0.390 nan 8.370 nan 0.000 0.481 390 I N 0.592 121.079 120.570 -0.139 0.000 2.163 390 I HA -0.255 3.916 4.170 0.001 0.000 0.240 390 I C 2.490 178.558 176.117 -0.081 0.000 1.081 390 I CA 0.611 61.847 61.300 -0.107 0.000 1.353 390 I CB -0.371 37.556 38.000 -0.123 0.000 1.054 390 I HN 0.031 nan 8.210 nan 0.000 0.407 391 C N 1.539 120.783 119.300 -0.092 0.000 2.400 391 C HA -0.118 4.343 4.460 0.001 0.000 0.291 391 C C 1.551 176.510 174.990 -0.051 0.000 1.372 391 C CA -0.099 58.882 59.018 -0.063 0.000 1.800 391 C CB -1.290 26.404 27.740 -0.075 0.000 1.869 391 C HN 0.285 nan 8.230 nan 0.000 0.533 392 I N 1.968 122.501 120.570 -0.062 0.000 2.472 392 I HA 0.336 4.506 4.170 0.001 0.000 0.305 392 I C 0.584 176.677 176.117 -0.039 0.000 1.196 392 I CA 0.645 61.914 61.300 -0.051 0.000 1.613 392 I CB -2.048 35.917 38.000 -0.059 0.000 1.501 392 I HN 0.287 nan 8.210 nan 0.000 0.754 393 A N 4.844 127.647 122.820 -0.028 0.000 2.597 393 A HA 0.550 4.870 4.320 0.001 0.000 0.292 393 A C 0.233 177.811 177.584 -0.009 0.000 1.057 393 A CA -0.669 51.357 52.037 -0.019 0.000 0.674 393 A CB 1.273 20.263 19.000 -0.017 0.000 1.278 393 A HN 0.494 nan 8.150 nan 0.000 0.416 394 N N -0.240 118.456 118.700 -0.007 0.000 5.902 394 N HA -0.200 4.541 4.740 0.001 0.000 0.362 394 N C 0.123 175.632 175.510 -0.002 0.000 0.922 394 N CA 1.636 54.686 53.050 -0.001 0.000 1.344 394 N CB -0.269 38.224 38.487 0.009 0.000 0.775 394 N HN 0.941 nan 8.380 nan 0.000 0.501 395 K N -0.151 120.251 120.400 0.003 0.000 1.725 395 K HA 0.200 4.520 4.320 0.001 0.000 0.292 395 K C -0.966 175.641 176.600 0.010 0.000 0.876 395 K CA -0.481 55.807 56.287 0.002 0.000 0.564 395 K CB 0.158 32.656 32.500 -0.004 0.000 3.053 395 K HN 0.536 nan 8.250 nan 0.000 1.082 396 D N 0.809 121.213 120.400 0.007 0.000 2.361 396 D HA 0.120 4.761 4.640 0.001 0.000 0.239 396 D C -0.270 176.041 176.300 0.017 0.000 1.200 396 D CA 0.968 54.975 54.000 0.012 0.000 0.915 396 D CB 0.887 41.690 40.800 0.006 0.000 1.170 396 D HN 0.501 nan 8.370 nan 0.000 0.444 397 K N 0.268 120.681 120.400 0.023 0.000 2.055 397 K HA -0.063 4.257 4.320 0.001 0.000 0.128 397 K C -0.574 176.044 176.600 0.030 0.000 1.918 397 K CA 0.040 56.341 56.287 0.023 0.000 0.985 397 K CB -0.280 32.236 32.500 0.026 0.000 1.971 397 K HN 0.375 nan 8.250 nan 0.000 0.385 398 E N 0.841 121.061 120.200 0.033 0.000 2.604 398 E HA -0.268 4.082 4.350 0.001 0.000 0.255 398 E C -0.636 176.002 176.600 0.064 0.000 1.164 398 E CA 1.532 57.955 56.400 0.038 0.000 0.737 398 E CB -1.936 27.777 29.700 0.023 0.000 1.317 398 E HN 0.752 nan 8.360 nan 0.000 0.417 399 S N -3.625 112.128 115.700 0.090 0.000 3.465 399 S HA -0.158 4.312 4.470 0.001 0.000 0.849 399 S C -1.325 173.288 174.600 0.021 0.000 1.200 399 S CA 0.018 58.284 58.200 0.111 0.000 0.947 399 S CB -0.592 62.744 63.200 0.227 0.000 0.609 399 S HN 0.151 nan 8.310 nan 0.000 0.300 400 P HA 0.768 nan 4.420 nan 0.000 0.323 400 P C 0.841 178.106 177.300 -0.059 0.000 1.363 400 P CA 1.014 64.041 63.100 -0.123 0.000 0.851 400 P CB 0.223 31.765 31.700 -0.263 0.000 2.110 401 C N -3.465 115.776 119.300 -0.099 0.000 3.041 401 C HA 0.662 5.123 4.460 0.001 0.000 0.352 401 C C -0.668 174.290 174.990 -0.054 0.000 4.010 401 C CA -0.068 58.925 59.018 -0.042 0.000 1.266 401 C CB 0.320 28.064 27.740 0.007 0.000 4.463 401 C HN 0.416 nan 8.230 nan 0.000 0.413 402 S N 0.044 115.727 115.700 -0.028 0.000 2.612 402 S HA 0.442 4.912 4.470 0.001 0.000 0.203 402 S C -0.822 173.776 174.600 -0.003 0.000 0.965 402 S CA -0.071 58.115 58.200 -0.023 0.000 1.157 402 S CB 0.831 64.021 63.200 -0.017 0.000 1.526 402 S HN 0.945 nan 8.310 nan 0.000 0.423 403 V N 1.474 121.393 119.914 0.008 0.000 2.361 403 V HA 0.364 4.485 4.120 0.001 0.000 0.252 403 V C 0.793 176.918 176.094 0.053 0.000 0.986 403 V CA -0.289 62.031 62.300 0.033 0.000 1.033 403 V CB 0.812 32.665 31.823 0.049 0.000 1.282 403 V HN 0.590 nan 8.190 nan 0.000 0.514 404 E N 1.280 121.504 120.200 0.039 0.000 2.290 404 E HA 0.138 4.488 4.350 0.001 0.000 0.195 404 E C 0.485 177.123 176.600 0.065 0.000 0.938 404 E CA 0.260 56.694 56.400 0.055 0.000 1.018 404 E CB 0.868 30.584 29.700 0.027 0.000 1.042 404 E HN 0.364 nan 8.360 nan 0.000 0.483 405 V N 3.741 123.683 119.914 0.046 0.000 2.621 405 V HA -0.098 4.023 4.120 0.001 0.000 0.300 405 V C 0.140 176.278 176.094 0.073 0.000 1.031 405 V CA 0.886 63.215 62.300 0.050 0.000 1.210 405 V CB -0.276 31.567 31.823 0.034 0.000 0.864 405 V HN 0.220 nan 8.190 nan 0.000 0.477 406 K N 4.038 124.494 120.400 0.092 0.000 2.439 406 K HA 0.567 4.887 4.320 0.001 0.000 0.260 406 K C -0.038 176.643 176.600 0.134 0.000 1.032 406 K CA -1.186 55.187 56.287 0.143 0.000 0.882 406 K CB 1.090 33.719 32.500 0.215 0.000 1.420 406 K HN 0.374 nan 8.250 nan 0.000 0.455 407 R N 1.537 122.158 120.500 0.201 0.000 2.777 407 R HA -0.125 4.215 4.340 0.001 0.000 0.268 407 R C 0.155 176.531 176.300 0.127 0.000 0.979 407 R CA 0.676 56.886 56.100 0.183 0.000 1.117 407 R CB -0.279 30.170 30.300 0.248 0.000 0.985 407 R HN 0.655 nan 8.270 nan 0.000 0.442 408 E N -0.221 120.068 120.200 0.149 0.000 4.090 408 E HA 0.159 4.510 4.350 0.001 0.000 0.235 408 E C -0.700 175.933 176.600 0.056 0.000 1.187 408 E CA -0.477 55.942 56.400 0.032 0.000 1.308 408 E CB -0.621 29.087 29.700 0.012 0.000 1.222 408 E HN 0.334 nan 8.360 nan 0.000 0.414 409 F N 0.239 120.105 119.950 -0.140 0.000 2.380 409 F HA 0.557 5.085 4.527 0.001 0.000 0.325 409 F C 0.654 176.424 175.800 -0.050 0.000 1.136 409 F CA -1.583 56.351 58.000 -0.111 0.000 1.171 409 F CB 0.366 39.255 39.000 -0.186 0.000 1.230 409 F HN 0.067 nan 8.300 nan 0.000 0.554 410 N N 0.789 119.539 118.700 0.083 0.000 2.483 410 N HA 0.112 4.853 4.740 0.001 0.000 0.269 410 N C -0.663 174.959 175.510 0.188 0.000 1.209 410 N CA -0.284 52.809 53.050 0.071 0.000 0.969 410 N CB 1.447 39.988 38.487 0.091 0.000 1.173 410 N HN 0.720 nan 8.380 nan 0.000 0.475 411 F N 0.622 120.579 119.950 0.011 0.000 2.432 411 F HA 0.356 4.884 4.527 0.001 0.000 0.247 411 F C 1.225 177.072 175.800 0.079 0.000 0.972 411 F CA 0.518 58.571 58.000 0.089 0.000 1.083 411 F CB -0.055 38.976 39.000 0.051 0.000 1.285 411 F HN 0.598 nan 8.300 nan 0.000 0.693 412 N N -1.335 117.396 118.700 0.052 0.000 2.166 412 N HA 0.334 5.075 4.740 0.001 0.000 0.213 412 N C -0.686 174.838 175.510 0.023 0.000 1.222 412 N CA 0.430 53.436 53.050 -0.074 0.000 0.900 412 N CB 1.669 40.081 38.487 -0.125 0.000 1.055 412 N HN 0.328 nan 8.380 nan 0.000 0.515 413 G N 0.972 109.819 108.800 0.077 0.000 2.213 413 G HA2 0.111 4.071 3.960 0.001 0.000 0.249 413 G HA3 0.111 4.071 3.960 0.001 0.000 0.249 413 G C -0.123 174.812 174.900 0.057 0.000 2.618 413 G CA -0.562 44.571 45.100 0.055 0.000 0.788 413 G HN 0.109 nan 8.290 nan 0.000 0.498 414 E N -0.830 119.397 120.200 0.045 0.000 3.904 414 E HA -0.224 4.127 4.350 0.001 0.000 0.316 414 E C 0.790 177.401 176.600 0.019 0.000 0.643 414 E CA 1.130 57.547 56.400 0.028 0.000 1.129 414 E CB -0.465 29.247 29.700 0.020 0.000 1.635 414 E HN 0.500 nan 8.360 nan 0.000 0.424 415 R N 1.839 122.366 120.500 0.045 0.000 2.507 415 R HA 0.086 4.427 4.340 0.001 0.000 0.341 415 R C 0.921 177.181 176.300 -0.067 0.000 0.960 415 R CA 1.011 57.119 56.100 0.014 0.000 1.032 415 R CB -0.313 30.043 30.300 0.095 0.000 0.933 415 R HN 0.459 nan 8.270 nan 0.000 0.418 416 R N -1.009 119.420 120.500 -0.117 0.000 3.853 416 R HA 0.360 4.701 4.340 0.001 0.000 0.253 416 R C -0.598 175.600 176.300 -0.170 0.000 1.046 416 R CA -0.997 54.981 56.100 -0.203 0.000 0.856 416 R CB 0.422 30.649 30.300 -0.122 0.000 1.667 416 R HN -0.066 nan 8.270 nan 0.000 0.400 417 V N 1.118 120.954 119.914 -0.130 0.000 5.981 417 V HA -0.147 3.974 4.120 0.001 0.000 0.233 417 V C -0.577 175.461 176.094 -0.093 0.000 0.653 417 V CA 1.005 63.259 62.300 -0.077 0.000 0.677 417 V CB -1.678 30.117 31.823 -0.045 0.000 0.632 417 V HN 0.516 nan 8.190 nan 0.000 0.464 418 I N 3.424 123.924 120.570 -0.116 0.000 2.442 418 I HA 0.295 4.466 4.170 0.001 0.000 0.279 418 I C 0.700 176.819 176.117 0.002 0.000 1.081 418 I CA -0.379 60.865 61.300 -0.093 0.000 1.197 418 I CB 0.897 38.767 38.000 -0.218 0.000 1.394 418 I HN 0.387 nan 8.210 nan 0.000 0.488 419 K N 4.784 125.206 120.400 0.037 0.000 2.383 419 K HA 0.331 4.652 4.320 0.001 0.000 0.286 419 K C -0.601 176.072 176.600 0.121 0.000 1.051 419 K CA -0.174 56.158 56.287 0.076 0.000 0.974 419 K CB 1.279 33.815 32.500 0.060 0.000 0.968 419 K HN 0.276 nan 8.250 nan 0.000 0.475 420 V N 3.646 123.655 119.914 0.158 0.000 2.326 420 V HA 0.150 4.271 4.120 0.001 0.000 0.281 420 V C -0.069 176.128 176.094 0.173 0.000 1.015 420 V CA -0.775 61.639 62.300 0.191 0.000 0.823 420 V CB 1.077 33.062 31.823 0.269 0.000 1.009 420 V HN 0.729 nan 8.190 nan 0.000 0.436 421 E N 3.807 124.119 120.200 0.187 0.000 2.249 421 E HA 0.584 4.934 4.350 0.001 0.000 0.280 421 E C -1.317 175.460 176.600 0.295 0.000 1.016 421 E CA -0.705 55.822 56.400 0.211 0.000 0.830 421 E CB 1.750 31.571 29.700 0.202 0.000 1.081 421 E HN 0.597 nan 8.360 nan 0.000 0.395 422 I N 5.770 126.513 120.570 0.288 0.000 2.465 422 I HA 0.552 4.723 4.170 0.001 0.000 0.291 422 I C -1.558 174.806 176.117 0.411 0.000 1.014 422 I CA -0.529 60.926 61.300 0.257 0.000 1.093 422 I CB 0.897 38.963 38.000 0.109 0.000 1.267 422 I HN 0.567 nan 8.210 nan 0.000 0.431 423 F N 4.064 124.030 119.950 0.026 0.000 2.878 423 F HA 0.605 5.132 4.527 0.001 0.000 0.322 423 F C -1.644 174.171 175.800 0.025 0.000 1.154 423 F CA -1.145 56.867 58.000 0.020 0.000 0.896 423 F CB 0.711 39.722 39.000 0.019 0.000 1.313 423 F HN 0.366 nan 8.300 nan 0.000 0.451 424 E N 1.420 121.627 120.200 0.012 0.000 2.207 424 E HA 0.340 4.690 4.350 0.001 0.000 0.250 424 E C 0.112 176.732 176.600 0.032 0.000 0.890 424 E CA -0.302 56.045 56.400 -0.089 0.000 0.749 424 E CB 0.992 30.674 29.700 -0.031 0.000 1.193 424 E HN 0.683 nan 8.360 nan 0.000 0.423 425 N N 3.181 121.873 118.700 -0.013 0.000 2.043 425 N HA -0.160 4.581 4.740 0.001 0.000 0.193 425 N C -0.330 175.207 175.510 0.045 0.000 1.037 425 N CA 1.182 54.311 53.050 0.133 0.000 0.851 425 N CB 0.162 38.728 38.487 0.131 0.000 1.027 425 N HN 0.509 nan 8.380 nan 0.000 0.422 426 E N 1.968 122.147 120.200 -0.035 0.000 2.417 426 E HA 0.024 4.374 4.350 0.001 0.000 0.261 426 E C -2.125 174.449 176.600 -0.044 0.000 1.000 426 E CA -1.234 55.127 56.400 -0.067 0.000 0.919 426 E CB 0.394 29.997 29.700 -0.163 0.000 0.955 426 E HN 0.452 nan 8.360 nan 0.000 0.455 427 P HA 0.002 nan 4.420 nan 0.000 0.272 427 P C -0.571 176.713 177.300 -0.027 0.000 1.240 427 P CA -0.173 62.918 63.100 -0.016 0.000 0.791 427 P CB 0.483 32.178 31.700 -0.009 0.000 0.978 428 N N -1.189 117.502 118.700 -0.016 0.000 2.800 428 N HA -0.171 4.569 4.740 0.001 0.000 0.250 428 N C -0.254 175.242 175.510 -0.023 0.000 1.078 428 N CA 1.278 54.318 53.050 -0.017 0.000 0.804 428 N CB -1.661 36.814 38.487 -0.019 0.000 1.135 428 N HN 0.566 nan 8.380 nan 0.000 0.565 429 K N 0.173 120.558 120.400 -0.025 0.000 2.792 429 K HA 0.215 4.535 4.320 0.001 0.000 0.207 429 K C 0.118 176.710 176.600 -0.013 0.000 1.103 429 K CA -0.423 55.848 56.287 -0.027 0.000 1.048 429 K CB 0.656 33.124 32.500 -0.053 0.000 0.777 429 K HN 0.172 nan 8.250 nan 0.000 0.468 430 K N -0.212 120.184 120.400 -0.006 0.000 2.147 430 K HA -0.256 4.064 4.320 0.001 0.000 0.260 430 K C 0.680 177.288 176.600 0.013 0.000 1.616 430 K CA 0.813 57.101 56.287 0.002 0.000 0.716 430 K CB -0.828 31.669 32.500 -0.005 0.000 0.803 430 K HN 0.043 nan 8.250 nan 0.000 0.884 431 L N 0.669 121.902 121.223 0.017 0.000 2.313 431 L HA -0.008 4.333 4.340 0.001 0.000 0.214 431 L C 1.497 178.380 176.870 0.020 0.000 1.119 431 L CA 1.887 56.748 54.840 0.036 0.000 0.809 431 L CB -0.446 41.634 42.059 0.035 0.000 0.933 431 L HN 0.531 nan 8.230 nan 0.000 0.449 432 L N -2.413 118.813 121.223 0.005 0.000 3.048 432 L HA 0.520 4.861 4.340 0.001 0.000 0.278 432 L C 0.573 177.446 176.870 0.006 0.000 1.057 432 L CA 0.533 55.373 54.840 -0.001 0.000 1.073 432 L CB 0.040 42.100 42.059 0.001 0.000 1.802 432 L HN 0.027 nan 8.230 nan 0.000 0.562 433 G N -0.364 108.440 108.800 0.007 0.000 2.339 433 G HA2 0.315 4.275 3.960 0.001 0.000 0.302 433 G HA3 0.315 4.275 3.960 0.001 0.000 0.302 433 G C -2.798 172.104 174.900 0.004 0.000 1.425 433 G CA -0.116 44.992 45.100 0.012 0.000 0.899 433 G HN -0.279 nan 8.290 nan 0.000 0.619 434 P HA 0.125 nan 4.420 nan 0.000 0.255 434 P C 0.801 178.080 177.300 -0.034 0.000 1.357 434 P CA 1.152 64.239 63.100 -0.022 0.000 0.839 434 P CB 0.399 32.087 31.700 -0.020 0.000 1.356 435 S N -1.061 114.632 115.700 -0.012 0.000 5.026 435 S HA 0.027 4.497 4.470 0.001 0.000 0.144 435 S C 0.997 175.572 174.600 -0.041 0.000 1.017 435 S CA 0.656 58.829 58.200 -0.045 0.000 1.275 435 S CB -0.665 62.520 63.200 -0.025 0.000 2.035 435 S HN -0.001 nan 8.310 nan 0.000 0.769 436 V N 0.623 120.572 119.914 0.058 0.000 2.401 436 V HA -0.200 3.921 4.120 0.001 0.000 0.121 436 V C 0.287 176.365 176.094 -0.027 0.000 0.460 436 V CA 1.967 64.335 62.300 0.112 0.000 1.293 436 V CB -2.689 29.183 31.823 0.081 0.000 1.519 436 V HN 0.667 nan 8.190 nan 0.000 0.976 437 L N -1.166 119.954 121.223 -0.172 0.000 3.429 437 L HA 0.453 4.794 4.340 0.001 0.000 0.311 437 L C 0.496 177.210 176.870 -0.259 0.000 1.274 437 L CA -0.350 54.392 54.840 -0.165 0.000 1.037 437 L CB 0.342 42.335 42.059 -0.110 0.000 1.433 437 L HN 0.340 nan 8.230 nan 0.000 0.614 438 N N 1.289 119.663 118.700 -0.543 0.000 2.452 438 N HA 0.009 4.750 4.740 0.001 0.000 0.266 438 N C 1.091 176.401 175.510 -0.333 0.000 1.209 438 N CA 0.003 52.723 53.050 -0.551 0.000 0.929 438 N CB 0.751 38.560 38.487 -1.131 0.000 1.063 438 N HN 0.079 nan 8.380 nan 0.000 0.472 439 E N 1.198 121.276 120.200 -0.203 0.000 2.204 439 E HA -0.062 4.288 4.350 0.001 0.000 0.194 439 E C -0.075 176.326 176.600 -0.332 0.000 0.989 439 E CA 0.462 56.662 56.400 -0.334 0.000 0.824 439 E CB 0.044 29.335 29.700 -0.682 0.000 0.756 439 E HN 0.421 nan 8.360 nan 0.000 0.477 440 V N 1.477 121.307 119.914 -0.140 0.000 5.999 440 V HA -0.273 3.847 4.120 0.001 0.000 0.275 440 V C -0.223 175.845 176.094 -0.042 0.000 0.606 440 V CA 0.555 62.862 62.300 0.013 0.000 0.836 440 V CB -2.508 29.344 31.823 0.049 0.000 0.869 440 V HN 0.138 nan 8.190 nan 0.000 0.497 441 Y N 0.891 121.258 120.300 0.112 0.000 2.356 441 Y HA 0.756 5.306 4.550 0.001 0.000 0.341 441 Y C 0.698 176.686 175.900 0.147 0.000 1.343 441 Y CA -0.643 57.532 58.100 0.124 0.000 1.570 441 Y CB 0.899 39.448 38.460 0.149 0.000 1.558 441 Y HN 0.236 nan 8.280 nan 0.000 0.557 442 V N 0.517 120.648 119.914 0.362 0.000 2.668 442 V HA 0.322 4.443 4.120 0.001 0.000 0.304 442 V C -1.712 174.587 176.094 0.343 0.000 1.071 442 V CA -0.978 61.472 62.300 0.250 0.000 0.894 442 V CB 1.529 33.430 31.823 0.130 0.000 1.008 442 V HN 0.612 nan 8.190 nan 0.000 0.425 443 Y N 2.784 123.207 120.300 0.204 0.000 2.534 443 Y HA 0.529 5.079 4.550 0.001 0.000 0.345 443 Y C 0.359 176.360 175.900 0.169 0.000 1.031 443 Y CA -0.753 57.472 58.100 0.208 0.000 1.022 443 Y CB 1.910 40.543 38.460 0.289 0.000 1.292 443 Y HN 0.767 nan 8.280 nan 0.000 0.459 444 D N 3.704 123.620 120.400 -0.808 0.000 2.733 444 D HA -0.200 4.441 4.640 0.001 0.000 0.232 444 D C 1.103 177.285 176.300 -0.197 0.000 1.161 444 D CA 2.462 56.117 54.000 -0.575 0.000 0.653 444 D CB -1.158 39.265 40.800 -0.628 0.000 1.052 444 D HN 1.553 nan 8.370 nan 0.000 0.424 445 G N -1.085 107.644 108.800 -0.117 0.000 2.184 445 G HA2 -0.338 3.623 3.960 0.001 0.000 0.264 445 G HA3 -0.338 3.623 3.960 0.001 0.000 0.264 445 G C 0.296 175.162 174.900 -0.057 0.000 0.975 445 G CA 0.384 45.449 45.100 -0.057 0.000 0.642 445 G HN 0.587 nan 8.290 nan 0.000 0.536 446 N N -0.226 118.429 118.700 -0.074 0.000 2.472 446 N HA 0.661 5.402 4.740 0.001 0.000 0.289 446 N C -0.136 175.193 175.510 -0.300 0.000 1.156 446 N CA -0.368 52.548 53.050 -0.223 0.000 0.940 446 N CB 1.363 39.639 38.487 -0.351 0.000 1.200 446 N HN 0.194 nan 8.380 nan 0.000 0.511 447 I N 2.137 122.475 120.570 -0.388 0.000 2.355 447 I HA 0.247 4.417 4.170 0.001 0.000 0.288 447 I C -0.345 175.588 176.117 -0.308 0.000 0.999 447 I CA -0.421 60.747 61.300 -0.220 0.000 1.163 447 I CB 0.554 38.506 38.000 -0.080 0.000 1.316 447 I HN 0.463 nan 8.210 nan 0.000 0.454 448 Y N 3.672 124.076 120.300 0.173 0.000 2.756 448 Y HA 0.672 5.223 4.550 0.001 0.000 0.131 448 Y C 1.171 177.174 175.900 0.172 0.000 0.878 448 Y CA -0.406 57.790 58.100 0.159 0.000 1.735 448 Y CB -0.413 38.150 38.460 0.172 0.000 1.144 448 Y HN 0.503 nan 8.280 nan 0.000 0.356 449 G N 0.978 110.042 108.800 0.440 0.000 3.383 449 G HA2 0.061 4.022 3.960 0.001 0.000 0.685 449 G HA3 0.061 4.022 3.960 0.001 0.000 0.685 449 G C -1.011 173.988 174.900 0.166 0.000 1.104 449 G CA -0.310 44.975 45.100 0.308 0.000 0.957 449 G HN 0.746 nan 8.290 nan 0.000 0.461 450 I N 0.582 121.243 120.570 0.150 0.000 2.769 450 I HA 0.848 5.018 4.170 0.001 0.000 0.298 450 I C -2.352 173.761 176.117 -0.007 0.000 1.128 450 I CA -3.056 58.258 61.300 0.023 0.000 1.031 450 I CB 2.811 40.816 38.000 0.007 0.000 1.235 450 I HN 0.297 nan 8.210 nan 0.000 0.423 451 P HA 0.214 nan 4.420 nan 0.000 0.272 451 P C -2.158 175.105 177.300 -0.062 0.000 1.223 451 P CA -1.205 61.839 63.100 -0.095 0.000 0.784 451 P CB 0.066 31.687 31.700 -0.133 0.000 0.923 452 P HA -0.063 nan 4.420 nan 0.000 0.251 452 P C 0.838 178.083 177.300 -0.090 0.000 1.251 452 P CA 0.599 63.675 63.100 -0.041 0.000 0.763 452 P CB -0.362 31.324 31.700 -0.023 0.000 1.067 453 T N -1.243 113.205 114.554 -0.175 0.000 4.536 453 T HA 0.420 4.771 4.350 0.001 0.000 0.337 453 T C 0.268 174.803 174.700 -0.274 0.000 1.148 453 T CA -0.161 61.693 62.100 -0.411 0.000 0.923 453 T CB -0.097 68.468 68.868 -0.505 0.000 1.977 453 T HN 0.083 nan 8.240 nan 0.000 0.477 454 F N -1.997 117.943 119.950 -0.018 0.000 2.719 454 F HA 0.889 5.417 4.527 0.001 0.000 0.309 454 F C -0.226 175.563 175.800 -0.017 0.000 1.138 454 F CA -1.234 56.754 58.000 -0.019 0.000 0.943 454 F CB 1.115 40.105 39.000 -0.017 0.000 1.304 454 F HN 0.700 nan 8.300 nan 0.000 0.445 455 E N 0.691 121.058 120.200 0.278 0.000 3.353 455 E HA 0.631 4.982 4.350 0.001 0.000 0.217 455 E C 1.014 177.678 176.600 0.107 0.000 1.242 455 E CA 0.965 57.465 56.400 0.167 0.000 1.162 455 E CB 0.626 30.371 29.700 0.075 0.000 2.813 455 E HN 1.186 nan 8.360 nan 0.000 0.550 456 G N -0.566 108.270 108.800 0.060 0.000 3.617 456 G HA2 -0.092 3.868 3.960 0.001 0.000 0.217 456 G HA3 -0.092 3.868 3.960 0.001 0.000 0.217 456 G C 0.936 175.849 174.900 0.021 0.000 0.967 456 G CA 0.270 45.387 45.100 0.029 0.000 0.878 456 G HN 0.237 nan 8.290 nan 0.000 0.439 457 V N 1.375 121.301 119.914 0.020 0.000 2.251 457 V HA 0.108 4.228 4.120 0.001 0.000 0.237 457 V C 2.243 178.346 176.094 0.015 0.000 1.040 457 V CA 2.252 64.561 62.300 0.015 0.000 1.005 457 V CB -0.471 31.357 31.823 0.008 0.000 0.645 457 V HN 0.250 nan 8.190 nan 0.000 0.458 458 K N 0.136 120.528 120.400 -0.013 0.000 2.458 458 K HA 0.091 4.412 4.320 0.001 0.000 0.194 458 K C 0.902 177.495 176.600 -0.011 0.000 1.024 458 K CA -0.067 56.192 56.287 -0.046 0.000 1.108 458 K CB 0.109 32.491 32.500 -0.196 0.000 0.846 458 K HN 0.279 nan 8.250 nan 0.000 0.518 459 E N 1.379 121.589 120.200 0.017 0.000 2.506 459 E HA -0.123 4.228 4.350 0.001 0.000 0.210 459 E C 0.904 177.537 176.600 0.055 0.000 1.325 459 E CA 0.595 57.013 56.400 0.031 0.000 1.273 459 E CB 0.338 30.062 29.700 0.039 0.000 1.276 459 E HN 0.229 nan 8.360 nan 0.000 0.442 460 Q N -0.930 118.948 119.800 0.130 0.000 2.317 460 Q HA -0.009 4.332 4.340 0.001 0.000 0.220 460 Q C 0.057 176.099 176.000 0.069 0.000 0.873 460 Q CA 0.358 56.221 55.803 0.099 0.000 0.936 460 Q CB 0.236 29.040 28.738 0.111 0.000 1.105 460 Q HN 0.167 nan 8.270 nan 0.000 0.520 461 Y N 0.477 120.676 120.300 -0.167 0.000 2.871 461 Y HA 0.105 4.655 4.550 0.001 0.000 0.378 461 Y C 1.008 176.749 175.900 -0.265 0.000 1.069 461 Y CA -0.397 57.546 58.100 -0.262 0.000 1.662 461 Y CB -0.206 38.030 38.460 -0.374 0.000 1.561 461 Y HN 0.171 nan 8.280 nan 0.000 0.483 462 I N 0.905 121.421 120.570 -0.090 0.000 2.193 462 I HA -0.101 4.069 4.170 0.001 0.000 0.240 462 I C -0.324 175.680 176.117 -0.189 0.000 1.084 462 I CA 0.626 61.855 61.300 -0.118 0.000 1.365 462 I CB -2.004 35.950 38.000 -0.077 0.000 1.064 462 I HN 0.117 nan 8.210 nan 0.000 0.410 463 P HA -0.081 nan 4.420 nan 0.000 0.221 463 P C 0.691 177.755 177.300 -0.392 0.000 1.145 463 P CA 1.151 64.107 63.100 -0.240 0.000 0.795 463 P CB 0.083 31.655 31.700 -0.213 0.000 0.775 464 I N 0.167 120.439 120.570 -0.497 0.000 2.532 464 I HA 0.122 4.293 4.170 0.001 0.000 0.292 464 I C 0.520 176.368 176.117 -0.448 0.000 1.014 464 I CA -1.195 59.673 61.300 -0.719 0.000 1.340 464 I CB 0.255 37.846 38.000 -0.682 0.000 1.422 464 I HN -0.120 nan 8.210 nan 0.000 0.528 465 L N 3.544 124.536 121.223 -0.386 0.000 5.860 465 L HA -0.279 4.062 4.340 0.001 0.000 0.263 465 L C 0.007 176.443 176.870 -0.724 0.000 1.188 465 L CA 0.276 54.779 54.840 -0.561 0.000 1.395 465 L CB -1.191 40.505 42.059 -0.605 0.000 2.166 465 L HN 0.946 nan 8.230 nan 0.000 0.889 466 K N -0.675 118.884 120.400 -1.402 0.000 7.415 466 K HA -0.176 4.145 4.320 0.001 0.000 0.652 466 K C 0.098 176.564 176.600 -0.222 0.000 2.588 466 K CA 1.259 57.163 56.287 -0.638 0.000 1.948 466 K CB -0.016 32.286 32.500 -0.329 0.000 2.086 466 K HN 0.776 nan 8.250 nan 0.000 0.274 467 K N 2.034 122.443 120.400 0.015 0.000 2.706 467 K HA 0.376 4.697 4.320 0.001 0.000 0.290 467 K C 1.160 177.769 176.600 0.014 0.000 1.063 467 K CA 0.259 56.585 56.287 0.065 0.000 0.967 467 K CB -0.190 32.379 32.500 0.115 0.000 1.157 467 K HN 0.903 nan 8.250 nan 0.000 0.476 468 A N 0.483 123.322 122.820 0.031 0.000 5.226 468 A HA -0.288 4.033 4.320 0.001 0.000 0.286 468 A C 0.415 178.003 177.584 0.007 0.000 2.103 468 A CA 1.582 53.629 52.037 0.016 0.000 0.716 468 A CB -1.265 17.738 19.000 0.005 0.000 1.182 468 A HN 0.650 nan 8.150 nan 0.000 0.350 469 K N 1.654 122.048 120.400 -0.009 0.000 3.045 469 K HA 0.441 4.761 4.320 0.001 0.000 0.214 469 K C -0.857 175.720 176.600 -0.038 0.000 1.213 469 K CA 0.375 56.654 56.287 -0.014 0.000 1.111 469 K CB -0.258 32.235 32.500 -0.012 0.000 1.454 469 K HN 0.530 nan 8.250 nan 0.000 0.498 470 E N 1.618 121.787 120.200 -0.052 0.000 2.432 470 E HA 0.086 4.437 4.350 0.001 0.000 0.272 470 E C -1.102 175.435 176.600 -0.105 0.000 0.937 470 E CA -0.496 55.843 56.400 -0.102 0.000 0.812 470 E CB 1.586 31.202 29.700 -0.141 0.000 1.377 470 E HN 0.337 nan 8.360 nan 0.000 0.399 471 E N 1.136 121.288 120.200 -0.080 0.000 2.556 471 E HA 0.135 4.486 4.350 0.001 0.000 0.273 471 E C 0.489 177.084 176.600 -0.007 0.000 1.123 471 E CA 1.278 57.677 56.400 -0.003 0.000 1.033 471 E CB 0.268 30.012 29.700 0.074 0.000 1.025 471 E HN 0.732 nan 8.360 nan 0.000 0.465 472 G N -0.857 108.054 108.800 0.185 0.000 2.906 472 G HA2 -0.046 3.914 3.960 0.001 0.000 0.686 472 G HA3 -0.046 3.914 3.960 0.001 0.000 0.686 472 G C -1.129 173.913 174.900 0.237 0.000 1.170 472 G CA -0.479 44.780 45.100 0.266 0.000 0.775 472 G HN 0.490 nan 8.290 nan 0.000 0.630 473 V N 1.996 122.068 119.914 0.263 0.000 2.472 473 V HA 0.847 4.967 4.120 0.001 0.000 0.290 473 V C 0.850 177.100 176.094 0.260 0.000 1.037 473 V CA 0.448 62.878 62.300 0.216 0.000 0.908 473 V CB 1.624 33.521 31.823 0.123 0.000 0.985 473 V HN 1.742 nan 8.190 nan 0.000 0.454 474 S N 3.110 118.919 115.700 0.182 0.000 2.646 474 S HA 0.425 4.895 4.470 0.001 0.000 0.276 474 S C 1.051 175.572 174.600 -0.131 0.000 1.222 474 S CA 0.125 58.290 58.200 -0.058 0.000 1.014 474 S CB 1.593 64.671 63.200 -0.204 0.000 0.991 474 S HN 1.075 nan 8.310 nan 0.000 0.533 475 T N -0.115 114.325 114.554 -0.190 0.000 3.040 475 T HA 0.294 4.645 4.350 0.001 0.000 0.250 475 T C 0.331 174.956 174.700 -0.125 0.000 1.058 475 T CA 0.002 62.020 62.100 -0.135 0.000 0.988 475 T CB -0.918 67.900 68.868 -0.085 0.000 0.993 475 T HN 0.861 nan 8.240 nan 0.000 0.519 476 N N 1.056 119.661 118.700 -0.158 0.000 2.725 476 N HA -0.116 4.624 4.740 0.001 0.000 0.251 476 N C -1.257 174.225 175.510 -0.047 0.000 1.031 476 N CA 0.218 53.210 53.050 -0.097 0.000 0.720 476 N CB -1.101 37.361 38.487 -0.042 0.000 0.930 476 N HN 0.597 nan 8.380 nan 0.000 0.543 477 I N 0.828 121.361 120.570 -0.062 0.000 2.534 477 I HA 0.289 4.459 4.170 0.001 0.000 0.286 477 I C 0.147 176.265 176.117 0.002 0.000 1.094 477 I CA -0.655 60.651 61.300 0.010 0.000 1.055 477 I CB 1.617 39.641 38.000 0.041 0.000 1.225 477 I HN 0.029 nan 8.210 nan 0.000 0.435 478 R N 4.390 124.902 120.500 0.020 0.000 2.553 478 R HA 0.451 4.791 4.340 0.001 0.000 0.263 478 R C 0.539 176.929 176.300 0.150 0.000 1.066 478 R CA -0.592 55.511 56.100 0.005 0.000 1.135 478 R CB 1.096 31.376 30.300 -0.034 0.000 1.148 478 R HN 0.530 nan 8.270 nan 0.000 0.558 479 Y N 1.037 121.330 120.300 -0.012 0.000 2.036 479 Y HA -0.324 4.227 4.550 0.001 0.000 0.273 479 Y C 2.537 178.426 175.900 -0.017 0.000 1.135 479 Y CA 1.363 59.460 58.100 -0.005 0.000 1.106 479 Y CB -0.371 38.087 38.460 -0.003 0.000 0.976 479 Y HN 0.542 nan 8.280 nan 0.000 0.483 480 I N -0.820 119.838 120.570 0.147 0.000 2.182 480 I HA -0.388 3.783 4.170 0.001 0.000 0.248 480 I C 1.558 177.640 176.117 -0.057 0.000 1.073 480 I CA 1.806 63.115 61.300 0.015 0.000 1.335 480 I CB -0.811 37.169 38.000 -0.033 0.000 1.031 480 I HN 0.194 nan 8.210 nan 0.000 0.420 481 D N 2.013 122.391 120.400 -0.036 0.000 2.182 481 D HA -0.171 4.470 4.640 0.001 0.000 0.193 481 D C 2.350 178.674 176.300 0.041 0.000 0.999 481 D CA 2.199 56.148 54.000 -0.084 0.000 0.850 481 D CB -0.998 39.874 40.800 0.119 0.000 0.994 481 D HN 0.515 nan 8.370 nan 0.000 0.450 482 G N 0.712 109.640 108.800 0.215 0.000 2.469 482 G HA2 -0.253 3.708 3.960 0.001 0.000 0.219 482 G HA3 -0.253 3.708 3.960 0.001 0.000 0.219 482 G C 1.862 176.840 174.900 0.129 0.000 1.150 482 G CA 0.965 46.211 45.100 0.243 0.000 0.763 482 G HN 0.293 nan 8.290 nan 0.000 0.561 483 I N 0.705 121.300 120.570 0.041 0.000 2.091 483 I HA -0.198 3.973 4.170 0.001 0.000 0.239 483 I C 2.645 178.743 176.117 -0.031 0.000 1.061 483 I CA 0.881 62.178 61.300 -0.005 0.000 1.317 483 I CB -0.336 37.655 38.000 -0.015 0.000 1.031 483 I HN 0.072 nan 8.210 nan 0.000 0.401 484 I N 0.167 120.676 120.570 -0.103 0.000 2.179 484 I HA -0.288 3.883 4.170 0.001 0.000 0.242 484 I C 2.671 178.730 176.117 -0.097 0.000 1.088 484 I CA 1.892 63.096 61.300 -0.159 0.000 1.357 484 I CB -1.438 36.379 38.000 -0.304 0.000 1.051 484 I HN 0.200 nan 8.210 nan 0.000 0.409 485 Y N 1.268 121.567 120.300 -0.001 0.000 2.193 485 Y HA -0.256 4.295 4.550 0.001 0.000 0.285 485 Y C 2.669 178.584 175.900 0.025 0.000 1.166 485 Y CA 1.578 59.699 58.100 0.035 0.000 1.181 485 Y CB -0.797 37.701 38.460 0.063 0.000 0.976 485 Y HN 0.194 nan 8.280 nan 0.000 0.520 486 K N -0.032 120.453 120.400 0.143 0.000 2.026 486 K HA -0.205 4.116 4.320 0.001 0.000 0.208 486 K C 2.058 178.646 176.600 -0.020 0.000 1.048 486 K CA 1.348 57.662 56.287 0.046 0.000 0.929 486 K CB -0.478 32.026 32.500 0.007 0.000 0.713 486 K HN 0.220 nan 8.250 nan 0.000 0.439 487 L N 1.120 122.321 121.223 -0.038 0.000 1.943 487 L HA -0.176 4.164 4.340 0.001 0.000 0.215 487 L C 2.098 178.925 176.870 -0.072 0.000 1.074 487 L CA 1.641 56.417 54.840 -0.106 0.000 0.759 487 L CB -0.874 41.143 42.059 -0.070 0.000 0.888 487 L HN 0.026 nan 8.230 nan 0.000 0.433 488 V N 0.678 120.639 119.914 0.077 0.000 2.370 488 V HA -0.394 3.727 4.120 0.001 0.000 0.252 488 V C 2.846 179.049 176.094 0.181 0.000 1.068 488 V CA 1.882 64.324 62.300 0.236 0.000 1.061 488 V CB -1.789 30.245 31.823 0.352 0.000 0.656 488 V HN 0.697 nan 8.190 nan 0.000 0.455 489 A N -0.300 122.590 122.820 0.116 0.000 1.865 489 A HA -0.281 4.039 4.320 0.001 0.000 0.217 489 A C 2.312 179.884 177.584 -0.020 0.000 1.191 489 A CA 2.256 54.331 52.037 0.063 0.000 0.623 489 A CB -0.513 18.520 19.000 0.053 0.000 0.826 489 A HN 0.552 nan 8.150 nan 0.000 0.444 490 K N -0.528 119.807 120.400 -0.110 0.000 2.020 490 K HA -0.157 4.164 4.320 0.001 0.000 0.212 490 K C 1.905 178.470 176.600 -0.059 0.000 1.050 490 K CA 1.718 57.896 56.287 -0.182 0.000 0.929 490 K CB -0.578 31.610 32.500 -0.521 0.000 0.714 490 K HN 0.558 nan 8.250 nan 0.000 0.443 491 I N 1.206 121.679 120.570 -0.161 0.000 2.143 491 I HA -0.388 3.783 4.170 0.001 0.000 0.245 491 I C 2.705 178.891 176.117 0.114 0.000 1.068 491 I CA 1.655 63.022 61.300 0.113 0.000 1.326 491 I CB -0.422 37.693 38.000 0.191 0.000 1.028 491 I HN 0.369 nan 8.210 nan 0.000 0.412 492 E N 1.041 121.224 120.200 -0.027 0.000 2.023 492 E HA -0.279 4.072 4.350 0.001 0.000 0.196 492 E C 1.957 178.470 176.600 -0.145 0.000 1.003 492 E CA 1.610 57.817 56.400 -0.322 0.000 0.809 492 E CB 0.020 29.460 29.700 -0.433 0.000 0.755 492 E HN 0.334 nan 8.360 nan 0.000 0.449 493 E N -0.082 120.087 120.200 -0.051 0.000 2.333 493 E HA -0.171 4.180 4.350 0.001 0.000 0.200 493 E C 1.341 177.950 176.600 0.015 0.000 1.010 493 E CA 1.037 57.432 56.400 -0.009 0.000 0.841 493 E CB -0.143 29.555 29.700 -0.004 0.000 0.757 493 E HN 0.404 nan 8.360 nan 0.000 0.508 494 A N -0.169 122.686 122.820 0.059 0.000 1.924 494 A HA 0.054 4.374 4.320 0.001 0.000 0.211 494 A C 1.941 179.455 177.584 -0.117 0.000 1.198 494 A CA 0.226 52.279 52.037 0.028 0.000 0.657 494 A CB -0.299 18.808 19.000 0.179 0.000 0.852 494 A HN 0.206 nan 8.150 nan 0.000 0.454 495 L N -0.238 120.829 121.223 -0.261 0.000 2.447 495 L HA -0.122 4.218 4.340 0.001 0.000 0.225 495 L C 2.084 178.694 176.870 -0.434 0.000 1.148 495 L CA 0.913 55.391 54.840 -0.603 0.000 0.808 495 L CB -0.213 41.004 42.059 -1.404 0.000 0.928 495 L HN 0.365 nan 8.230 nan 0.000 0.448 496 V N -2.709 117.128 119.914 -0.129 0.000 3.635 496 V HA 0.054 4.174 4.120 0.001 0.000 0.266 496 V C 1.817 177.925 176.094 0.023 0.000 1.316 496 V CA 0.854 63.198 62.300 0.073 0.000 1.060 496 V CB 0.964 32.878 31.823 0.152 0.000 0.820 496 V HN 0.294 nan 8.190 nan 0.000 0.447 497 S N 1.143 116.830 115.700 -0.020 0.000 2.556 497 S HA 0.205 4.675 4.470 0.001 0.000 0.216 497 S C 0.418 174.995 174.600 -0.038 0.000 0.970 497 S CA 0.052 58.240 58.200 -0.020 0.000 0.912 497 S CB -0.133 63.054 63.200 -0.022 0.000 0.790 497 S HN 0.728 nan 8.310 nan 0.000 0.504 498 N N 1.319 119.984 118.700 -0.059 0.000 2.725 498 N HA -0.113 4.627 4.740 0.001 0.000 0.256 498 N C -1.051 174.406 175.510 -0.088 0.000 1.087 498 N CA 0.291 53.301 53.050 -0.066 0.000 0.690 498 N CB -1.397 37.067 38.487 -0.038 0.000 0.891 498 N HN 0.192 nan 8.380 nan 0.000 0.553 499 V N 0.209 120.044 119.914 -0.131 0.000 2.769 499 V HA 0.385 4.505 4.120 0.001 0.000 0.312 499 V C 1.033 177.006 176.094 -0.201 0.000 1.058 499 V CA -0.604 61.582 62.300 -0.190 0.000 0.952 499 V CB 2.319 33.953 31.823 -0.314 0.000 1.019 499 V HN 0.165 nan 8.190 nan 0.000 0.445 500 D N 0.739 121.026 120.400 -0.188 0.000 2.463 500 D HA 0.182 4.823 4.640 0.001 0.000 0.237 500 D C 0.389 176.608 176.300 -0.135 0.000 1.013 500 D CA 0.440 54.360 54.000 -0.133 0.000 0.910 500 D CB 1.276 42.027 40.800 -0.083 0.000 1.080 500 D HN 0.657 nan 8.370 nan 0.000 0.498 501 E N -0.816 119.271 120.200 -0.188 0.000 2.355 501 E HA 0.516 4.867 4.350 0.001 0.000 0.261 501 E C -0.782 175.680 176.600 -0.229 0.000 0.943 501 E CA -0.697 55.638 56.400 -0.109 0.000 0.806 501 E CB 2.226 31.903 29.700 -0.039 0.000 1.286 501 E HN -0.163 nan 8.360 nan 0.000 0.424 502 F N 0.191 120.228 119.950 0.144 0.000 3.345 502 F HA 0.418 4.946 4.527 0.001 0.000 0.253 502 F C -0.682 175.197 175.800 0.132 0.000 1.576 502 F CA -0.402 57.772 58.000 0.289 0.000 0.970 502 F CB 0.594 39.763 39.000 0.282 0.000 1.808 502 F HN 0.243 nan 8.300 nan 0.000 0.354 503 K N 1.056 121.783 120.400 0.545 0.000 6.004 503 K HA -0.118 4.203 4.320 0.001 0.000 0.832 503 K C -1.857 174.776 176.600 0.056 0.000 1.898 503 K CA 0.146 56.573 56.287 0.233 0.000 1.619 503 K CB -1.581 30.967 32.500 0.080 0.000 2.304 503 K HN 0.280 nan 8.250 nan 0.000 0.279 504 F N 1.384 121.369 119.950 0.059 0.000 2.691 504 F HA 0.664 5.192 4.527 0.001 0.000 0.334 504 F C 0.283 176.036 175.800 -0.080 0.000 1.107 504 F CA -0.722 57.286 58.000 0.013 0.000 0.991 504 F CB 1.667 40.692 39.000 0.041 0.000 1.400 504 F HN 0.473 nan 8.300 nan 0.000 0.503 505 R N -0.942 119.611 120.500 0.088 0.000 2.634 505 R HA 0.736 5.076 4.340 0.001 0.000 0.263 505 R C -1.757 174.494 176.300 -0.082 0.000 1.060 505 R CA -0.779 55.239 56.100 -0.136 0.000 0.898 505 R CB 1.782 31.911 30.300 -0.286 0.000 1.253 505 R HN 0.549 nan 8.270 nan 0.000 0.461 506 V N -3.825 116.003 119.914 -0.143 0.000 3.062 506 V HA 0.228 4.349 4.120 0.001 0.000 0.230 506 V C -2.051 173.986 176.094 -0.095 0.000 1.664 506 V CA -0.444 61.807 62.300 -0.082 0.000 1.076 506 V CB -1.396 30.407 31.823 -0.032 0.000 1.030 506 V HN 0.579 nan 8.190 nan 0.000 0.437 507 P HA 0.749 nan 4.420 nan 0.000 0.274 507 P C -0.955 176.299 177.300 -0.076 0.000 1.237 507 P CA 0.099 63.145 63.100 -0.090 0.000 0.793 507 P CB 0.930 32.575 31.700 -0.093 0.000 0.977 508 I N -3.169 117.383 120.570 -0.031 0.000 2.918 508 I HA 0.300 4.470 4.170 0.001 0.000 0.301 508 I C -0.750 175.373 176.117 0.011 0.000 1.312 508 I CA -1.395 59.907 61.300 0.002 0.000 1.007 508 I CB 1.142 39.146 38.000 0.006 0.000 1.281 508 I HN -0.013 nan 8.210 nan 0.000 0.440 509 V N 4.457 124.387 119.914 0.027 0.000 3.036 509 V HA -0.125 3.996 4.120 0.001 0.000 0.283 509 V C 1.032 177.135 176.094 0.014 0.000 1.064 509 V CA 1.349 63.663 62.300 0.024 0.000 1.222 509 V CB -1.886 29.954 31.823 0.029 0.000 0.785 509 V HN 0.945 nan 8.190 nan 0.000 0.433 510 R N 2.173 122.678 120.500 0.009 0.000 5.460 510 R HA 0.265 4.605 4.340 0.001 0.000 0.090 510 R C 0.658 176.960 176.300 0.004 0.000 0.840 510 R CA 0.583 56.685 56.100 0.004 0.000 0.937 510 R CB 0.476 30.774 30.300 -0.003 0.000 1.335 510 R HN 0.711 nan 8.270 nan 0.000 0.387 511 S N 0.130 115.828 115.700 -0.004 0.000 3.813 511 S HA 0.154 4.625 4.470 0.001 0.000 0.309 511 S C -0.099 174.491 174.600 -0.016 0.000 1.136 511 S CA -0.515 57.682 58.200 -0.004 0.000 1.190 511 S CB 0.039 63.235 63.200 -0.006 0.000 1.582 511 S HN 0.159 nan 8.310 nan 0.000 0.647 512 L N 0.545 121.758 121.223 -0.016 0.000 2.627 512 L HA 0.540 4.880 4.340 0.001 0.000 0.232 512 L C 0.775 177.617 176.870 -0.048 0.000 1.150 512 L CA -0.195 54.626 54.840 -0.032 0.000 0.917 512 L CB -1.146 40.914 42.059 0.001 0.000 1.104 512 L HN 0.530 nan 8.230 nan 0.000 0.445 513 S N 0.605 116.280 115.700 -0.042 0.000 2.580 513 S HA 0.254 4.724 4.470 0.001 0.000 0.261 513 S C 0.239 174.800 174.600 -0.066 0.000 1.366 513 S CA 0.221 58.395 58.200 -0.043 0.000 0.996 513 S CB -0.046 63.132 63.200 -0.036 0.000 0.902 513 S HN 0.754 nan 8.310 nan 0.000 0.566 514 D N -0.166 120.197 120.400 -0.061 0.000 10.890 514 D HA -0.226 4.414 4.640 0.001 0.000 0.359 514 D C 0.511 176.757 176.300 -0.090 0.000 3.118 514 D CA 1.193 55.147 54.000 -0.077 0.000 2.613 514 D CB -0.998 39.745 40.800 -0.096 0.000 1.178 514 D HN 0.900 nan 8.370 nan 0.000 0.941 515 I N -0.737 119.783 120.570 -0.083 0.000 5.699 515 I HA -0.464 3.706 4.170 0.001 0.000 0.195 515 I C 1.204 177.318 176.117 -0.005 0.000 1.815 515 I CA 1.083 62.339 61.300 -0.073 0.000 2.028 515 I CB -1.587 36.289 38.000 -0.207 0.000 3.376 515 I HN 0.714 nan 8.210 nan 0.000 0.177 516 N N 0.066 118.763 118.700 -0.005 0.000 1.673 516 N HA -0.212 4.529 4.740 0.001 0.000 0.120 516 N C 0.084 175.600 175.510 0.010 0.000 0.843 516 N CA 1.546 54.605 53.050 0.015 0.000 0.859 516 N CB -0.425 38.098 38.487 0.060 0.000 0.883 516 N HN 0.424 nan 8.380 nan 0.000 0.676 517 L N -1.417 119.817 121.223 0.019 0.000 2.626 517 L HA -0.228 4.112 4.340 0.001 0.000 0.619 517 L C 0.657 177.526 176.870 -0.002 0.000 1.001 517 L CA 0.591 55.438 54.840 0.013 0.000 1.326 517 L CB -1.057 41.017 42.059 0.025 0.000 1.890 517 L HN 0.775 nan 8.230 nan 0.000 0.909 518 K N 3.406 123.801 120.400 -0.008 0.000 2.502 518 K HA 0.966 5.286 4.320 0.001 0.000 0.256 518 K C -0.339 176.253 176.600 -0.013 0.000 1.053 518 K CA -0.997 55.282 56.287 -0.013 0.000 1.002 518 K CB 2.232 34.721 32.500 -0.018 0.000 1.384 518 K HN 0.385 nan 8.250 nan 0.000 0.537 519 I N 0.642 121.203 120.570 -0.016 0.000 2.752 519 I HA 0.153 4.324 4.170 0.001 0.000 0.295 519 I C -1.076 175.030 176.117 -0.019 0.000 1.219 519 I CA -1.124 60.167 61.300 -0.015 0.000 1.030 519 I CB 2.397 40.391 38.000 -0.011 0.000 1.259 519 I HN 0.631 nan 8.210 nan 0.000 0.423 520 D N 4.571 124.958 120.400 -0.020 0.000 2.368 520 D HA 0.040 4.681 4.640 0.001 0.000 0.240 520 D C 0.876 177.162 176.300 -0.024 0.000 1.169 520 D CA 0.024 54.009 54.000 -0.025 0.000 0.906 520 D CB 1.260 42.044 40.800 -0.026 0.000 1.187 520 D HN 0.569 nan 8.370 nan 0.000 0.435 521 E N 0.021 120.202 120.200 -0.031 0.000 2.035 521 E HA -0.185 4.166 4.350 0.001 0.000 0.204 521 E C 0.550 177.132 176.600 -0.029 0.000 1.025 521 E CA 0.820 57.202 56.400 -0.031 0.000 0.835 521 E CB -0.118 29.557 29.700 -0.041 0.000 0.764 521 E HN 0.258 nan 8.360 nan 0.000 0.457 522 L N -0.727 120.471 121.223 -0.043 0.000 2.472 522 L HA -0.116 4.225 4.340 0.001 0.000 0.273 522 L C 1.379 178.247 176.870 -0.003 0.000 1.254 522 L CA 1.306 56.123 54.840 -0.038 0.000 0.823 522 L CB -0.008 42.010 42.059 -0.069 0.000 1.096 522 L HN 0.408 nan 8.230 nan 0.000 0.521 523 A N 0.120 122.958 122.820 0.029 0.000 1.467 523 A HA -0.331 3.990 4.320 0.001 0.000 0.224 523 A C 1.405 179.003 177.584 0.023 0.000 0.419 523 A CA 1.641 53.698 52.037 0.033 0.000 1.100 523 A CB -1.974 17.036 19.000 0.017 0.000 1.463 523 A HN 0.759 nan 8.150 nan 0.000 0.719 524 L N 0.640 121.868 121.223 0.009 0.000 2.275 524 L HA 0.057 4.398 4.340 0.001 0.000 0.215 524 L C 2.042 178.919 176.870 0.011 0.000 1.119 524 L CA 3.059 57.902 54.840 0.004 0.000 0.790 524 L CB -0.482 41.574 42.059 -0.004 0.000 0.919 524 L HN 0.665 nan 8.230 nan 0.000 0.443 525 K N -1.318 119.093 120.400 0.018 0.000 2.305 525 K HA -0.145 4.175 4.320 0.001 0.000 0.199 525 K C 2.009 178.641 176.600 0.055 0.000 1.047 525 K CA 0.957 57.261 56.287 0.029 0.000 0.976 525 K CB 0.125 32.639 32.500 0.023 0.000 0.765 525 K HN 0.561 nan 8.250 nan 0.000 0.474 526 Q N 0.342 120.180 119.800 0.063 0.000 2.178 526 Q HA -0.036 4.305 4.340 0.001 0.000 0.195 526 Q C 1.935 177.955 176.000 0.033 0.000 0.960 526 Q CA 0.359 56.202 55.803 0.068 0.000 0.843 526 Q CB 0.183 28.973 28.738 0.087 0.000 0.927 526 Q HN 0.172 nan 8.270 nan 0.000 0.487 527 I N 2.083 122.665 120.570 0.021 0.000 2.121 527 I HA -0.366 3.804 4.170 0.001 0.000 0.243 527 I C 2.583 178.703 176.117 0.006 0.000 1.047 527 I CA 2.097 63.399 61.300 0.004 0.000 1.308 527 I CB -1.321 36.676 38.000 -0.005 0.000 1.015 527 I HN 0.547 nan 8.210 nan 0.000 0.410 528 M N -0.817 118.790 119.600 0.011 0.000 2.394 528 M HA 0.213 4.694 4.480 0.001 0.000 0.266 528 M C 2.093 178.404 176.300 0.018 0.000 1.098 528 M CA 1.566 56.873 55.300 0.012 0.000 1.149 528 M CB -1.099 31.507 32.600 0.011 0.000 1.369 528 M HN 0.047 nan 8.290 nan 0.000 0.450 529 G N 1.251 110.066 108.800 0.025 0.000 2.559 529 G HA2 -0.089 3.872 3.960 0.001 0.000 0.216 529 G HA3 -0.089 3.872 3.960 0.001 0.000 0.216 529 G C 0.861 175.776 174.900 0.024 0.000 1.126 529 G CA 0.484 45.602 45.100 0.029 0.000 0.778 529 G HN 0.697 nan 8.290 nan 0.000 0.543 530 E N -0.084 120.127 120.200 0.019 0.000 2.995 530 E HA 0.130 4.481 4.350 0.001 0.000 0.203 530 E C -0.254 176.354 176.600 0.013 0.000 0.980 530 E CA -0.574 55.834 56.400 0.013 0.000 1.172 530 E CB 0.236 29.939 29.700 0.006 0.000 1.088 530 E HN 0.212 nan 8.360 nan 0.000 0.463 531 N N 1.840 120.550 118.700 0.016 0.000 2.705 531 N HA -0.181 4.560 4.740 0.001 0.000 0.255 531 N C -1.017 174.505 175.510 0.019 0.000 1.008 531 N CA 0.840 53.901 53.050 0.019 0.000 0.742 531 N CB -0.733 37.768 38.487 0.024 0.000 0.906 531 N HN 0.062 nan 8.380 nan 0.000 0.541 532 K N -0.124 120.281 120.400 0.009 0.000 2.110 532 K HA 0.582 4.903 4.320 0.001 0.000 0.263 532 K C 0.095 176.689 176.600 -0.010 0.000 0.975 532 K CA -0.836 55.449 56.287 -0.002 0.000 0.895 532 K CB 1.244 33.731 32.500 -0.021 0.000 1.060 532 K HN 0.145 nan 8.250 nan 0.000 0.448 533 V N 0.193 120.095 119.914 -0.019 0.000 2.617 533 V HA 0.580 4.700 4.120 0.001 0.000 0.298 533 V C -0.084 175.946 176.094 -0.106 0.000 1.048 533 V CA -0.617 61.669 62.300 -0.023 0.000 0.964 533 V CB 1.087 32.939 31.823 0.048 0.000 1.004 533 V HN 0.624 nan 8.190 nan 0.000 0.466 534 I N 2.774 123.308 120.570 -0.060 0.000 2.621 534 I HA 0.333 4.504 4.170 0.001 0.000 0.276 534 I C -0.687 175.422 176.117 -0.012 0.000 1.118 534 I CA -0.074 61.185 61.300 -0.069 0.000 1.159 534 I CB 0.875 38.854 38.000 -0.035 0.000 1.357 534 I HN 0.756 nan 8.210 nan 0.000 0.513 535 D N 4.332 124.737 120.400 0.007 0.000 2.380 535 D HA 0.318 4.959 4.640 0.001 0.000 0.230 535 D C 0.696 177.080 176.300 0.140 0.000 1.154 535 D CA -0.270 53.789 54.000 0.099 0.000 0.859 535 D CB 1.204 42.111 40.800 0.179 0.000 1.045 535 D HN 0.313 nan 8.370 nan 0.000 0.495 536 V N 1.079 121.065 119.914 0.120 0.000 3.161 536 V HA 0.439 4.559 4.120 0.001 0.000 0.221 536 V C -0.064 176.128 176.094 0.164 0.000 1.296 536 V CA -0.438 61.970 62.300 0.180 0.000 1.306 536 V CB -0.320 31.583 31.823 0.133 0.000 1.171 536 V HN 0.474 nan 8.190 nan 0.000 0.513 537 R N 1.297 121.844 120.500 0.080 0.000 1.558 537 R HA -0.011 4.330 4.340 0.001 0.000 0.397 537 R C -0.076 176.255 176.300 0.052 0.000 1.289 537 R CA 1.051 57.187 56.100 0.061 0.000 1.129 537 R CB -2.133 28.212 30.300 0.075 0.000 3.317 537 R HN 1.464 nan 8.270 nan 0.000 0.487 538 G N 3.659 112.458 108.800 -0.003 0.000 2.354 538 G HA2 0.522 4.483 3.960 0.001 0.000 0.285 538 G HA3 0.522 4.483 3.960 0.001 0.000 0.285 538 G C -2.346 172.576 174.900 0.036 0.000 1.390 538 G CA -0.876 44.205 45.100 -0.032 0.000 1.231 538 G HN 0.205 nan 8.290 nan 0.000 0.603 539 P HA 0.192 nan 4.420 nan 0.000 0.243 539 P C 1.731 179.209 177.300 0.296 0.000 1.668 539 P CA -0.410 62.809 63.100 0.198 0.000 0.898 539 P CB 0.726 32.443 31.700 0.028 0.000 1.637 540 V N -0.682 119.362 119.914 0.216 0.000 2.250 540 V HA -0.393 3.727 4.120 0.001 0.000 0.250 540 V C 1.615 177.918 176.094 0.347 0.000 1.039 540 V CA 2.587 64.991 62.300 0.174 0.000 1.042 540 V CB -1.044 30.807 31.823 0.046 0.000 0.673 540 V HN 0.234 nan 8.190 nan 0.000 0.477 541 F N -2.998 116.923 119.950 -0.048 0.000 2.540 541 F HA -0.316 4.212 4.527 0.001 0.000 0.722 541 F C 1.023 176.787 175.800 -0.060 0.000 0.486 541 F CA 1.060 59.034 58.000 -0.043 0.000 0.756 541 F CB -1.541 37.430 39.000 -0.050 0.000 1.620 541 F HN 0.112 nan 8.300 nan 0.000 0.271 542 L N 1.571 122.869 121.223 0.124 0.000 4.413 542 L HA -0.372 3.969 4.340 0.001 0.000 0.499 542 L C 1.028 177.870 176.870 -0.047 0.000 1.023 542 L CA 0.668 55.489 54.840 -0.032 0.000 0.676 542 L CB -1.197 40.841 42.059 -0.034 0.000 1.640 542 L HN 0.472 nan 8.230 nan 0.000 0.760 543 N N 1.268 119.953 118.700 -0.024 0.000 2.091 543 N HA -0.116 4.624 4.740 0.001 0.000 0.193 543 N C 1.088 176.596 175.510 -0.003 0.000 1.021 543 N CA 1.134 54.193 53.050 0.016 0.000 0.862 543 N CB -0.197 38.304 38.487 0.024 0.000 1.018 543 N HN 0.724 nan 8.380 nan 0.000 0.429 544 A N 0.493 123.216 122.820 -0.162 0.000 1.411 544 A HA -0.284 4.037 4.320 0.001 0.000 0.183 544 A C 0.277 177.951 177.584 0.151 0.000 1.192 544 A CA 0.507 52.489 52.037 -0.092 0.000 0.677 544 A CB -1.092 17.879 19.000 -0.047 0.000 1.075 544 A HN 0.453 nan 8.150 nan 0.000 0.161 545 K N 1.261 121.839 120.400 0.297 0.000 2.451 545 K HA 0.367 4.687 4.320 0.001 0.000 0.280 545 K C -0.253 176.501 176.600 0.256 0.000 1.020 545 K CA 0.642 57.096 56.287 0.278 0.000 1.008 545 K CB 0.575 33.240 32.500 0.275 0.000 0.917 545 K HN 1.481 nan 8.250 nan 0.000 0.478 546 V N 5.855 125.935 119.914 0.277 0.000 2.559 546 V HA 0.214 4.335 4.120 0.001 0.000 0.289 546 V C -1.064 175.194 176.094 0.273 0.000 1.036 546 V CA -0.464 61.998 62.300 0.269 0.000 0.887 546 V CB 1.391 33.382 31.823 0.280 0.000 1.022 546 V HN 0.978 nan 8.190 nan 0.000 0.442 547 E N 6.430 126.726 120.200 0.159 0.000 2.239 547 E HA 0.597 4.948 4.350 0.001 0.000 0.261 547 E C -0.407 176.229 176.600 0.061 0.000 1.016 547 E CA -0.983 55.471 56.400 0.091 0.000 0.882 547 E CB 2.482 32.213 29.700 0.052 0.000 1.190 547 E HN 0.612 nan 8.360 nan 0.000 0.415 548 I N 0.670 121.246 120.570 0.011 0.000 3.424 548 I HA 0.197 4.367 4.170 0.001 0.000 0.339 548 I C -0.240 175.851 176.117 -0.043 0.000 1.549 548 I CA -0.373 60.909 61.300 -0.029 0.000 1.049 548 I CB -0.239 37.727 38.000 -0.057 0.000 1.439 548 I HN 0.525 nan 8.210 nan 0.000 0.500 549 K N 0.000 120.386 120.400 -0.024 0.000 2.780 549 K HA 0.000 4.321 4.320 0.001 0.000 0.191 549 K CA 0.000 56.273 56.287 -0.023 0.000 0.838 549 K CB 0.000 32.487 32.500 -0.022 0.000 1.064 549 K HN 0.000 nan 8.250 nan 0.000 0.543