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 3h0c_1_B DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP 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 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.641 174.600 0.068 0.000 1.055 39 S CA 0.000 58.242 58.200 0.070 0.000 1.107 39 S CB 0.000 63.234 63.200 0.056 0.000 0.593 40 R N 3.205 123.749 120.500 0.073 0.000 2.774 40 R HA 0.368 4.708 4.340 -0.000 0.000 0.269 40 R C 0.428 176.771 176.300 0.071 0.000 1.068 40 R CA -0.087 56.052 56.100 0.066 0.000 1.180 40 R CB 0.257 30.591 30.300 0.057 0.000 1.077 40 R HN 0.493 nan 8.270 nan 0.000 0.513 41 K N -0.061 120.385 120.400 0.078 0.000 2.187 41 K HA 0.105 4.425 4.320 -0.000 0.000 0.247 41 K C -0.123 176.537 176.600 0.099 0.000 1.019 41 K CA -0.321 56.020 56.287 0.091 0.000 0.893 41 K CB 0.919 33.482 32.500 0.104 0.000 1.025 41 K HN 0.512 nan 8.250 nan 0.000 0.500 42 T N -0.275 114.349 114.554 0.117 0.000 2.950 42 T HA 0.170 4.520 4.350 -0.000 0.000 0.288 42 T C -1.240 173.583 174.700 0.206 0.000 1.035 42 T CA -0.763 61.420 62.100 0.138 0.000 1.028 42 T CB 0.479 69.420 68.868 0.123 0.000 1.109 42 T HN 0.480 nan 8.240 nan 0.000 0.514 43 Y N 3.853 124.220 120.300 0.112 0.000 2.680 43 Y HA 0.290 4.840 4.550 0.000 0.000 0.356 43 Y C 1.175 177.233 175.900 0.263 0.000 1.122 43 Y CA -0.157 58.050 58.100 0.178 0.000 1.509 43 Y CB -0.429 38.104 38.460 0.122 0.000 1.245 43 Y HN 0.813 nan 8.280 nan 0.000 0.513 44 T N 1.788 116.329 114.554 -0.022 0.000 2.770 44 T HA 0.071 4.421 4.350 -0.000 0.000 0.281 44 T C 1.048 175.653 174.700 -0.159 0.000 0.981 44 T CA -0.626 61.502 62.100 0.046 0.000 0.955 44 T CB 0.990 69.853 68.868 -0.007 0.000 1.060 44 T HN 0.648 nan 8.240 nan 0.000 0.531 45 L N 0.686 121.672 121.223 -0.395 0.000 2.093 45 L HA 0.045 4.385 4.340 -0.000 0.000 0.208 45 L C 2.665 179.380 176.870 -0.258 0.000 1.085 45 L CA 1.987 56.470 54.840 -0.595 0.000 0.755 45 L CB -1.376 40.184 42.059 -0.830 0.000 0.904 45 L HN 0.969 nan 8.230 nan 0.000 0.435 46 T N -0.623 113.805 114.554 -0.211 0.000 2.652 46 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 46 T C 1.506 176.095 174.700 -0.185 0.000 1.039 46 T CA 1.574 63.576 62.100 -0.163 0.000 1.153 46 T CB -0.503 68.294 68.868 -0.118 0.000 0.863 46 T HN 0.373 nan 8.240 nan 0.000 0.428 47 D N 0.150 120.405 120.400 -0.242 0.000 2.149 47 D HA -0.133 4.507 4.640 -0.000 0.000 0.194 47 D C 1.771 177.948 176.300 -0.205 0.000 1.001 47 D CA 1.325 55.142 54.000 -0.305 0.000 0.849 47 D CB -0.443 40.061 40.800 -0.493 0.000 0.939 47 D HN 0.460 nan 8.370 nan 0.000 0.449 48 Y N 1.210 121.309 120.300 -0.335 0.000 2.092 48 Y HA -0.159 4.391 4.550 -0.000 0.000 0.282 48 Y C 2.156 178.042 175.900 -0.024 0.000 1.126 48 Y CA 1.004 59.087 58.100 -0.028 0.000 1.111 48 Y CB -0.747 37.756 38.460 0.072 0.000 0.987 48 Y HN -0.155 nan 8.280 nan 0.000 0.489 49 L N 0.892 121.869 121.223 -0.410 0.000 2.079 49 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 49 L C 2.184 178.910 176.870 -0.241 0.000 1.081 49 L CA 1.875 56.444 54.840 -0.452 0.000 0.752 49 L CB -0.810 41.078 42.059 -0.285 0.000 0.896 49 L HN 0.228 nan 8.230 nan 0.000 0.433 50 K N -1.145 119.149 120.400 -0.175 0.000 2.374 50 K HA 0.096 4.416 4.320 -0.000 0.000 0.196 50 K C 0.229 176.768 176.600 -0.103 0.000 1.023 50 K CA -0.030 56.185 56.287 -0.120 0.000 1.103 50 K CB 0.103 32.537 32.500 -0.109 0.000 0.848 50 K HN 0.283 nan 8.250 nan 0.000 0.528 51 N N 1.205 119.849 118.700 -0.093 0.000 2.756 51 N HA -0.178 4.562 4.740 -0.000 0.000 0.248 51 N C 0.002 175.480 175.510 -0.053 0.000 1.062 51 N CA 0.246 53.279 53.050 -0.028 0.000 0.696 51 N CB -0.486 37.987 38.487 -0.023 0.000 0.946 51 N HN 0.144 nan 8.380 nan 0.000 0.548 52 T N -0.504 113.965 114.554 -0.141 0.000 2.746 52 T HA -0.152 4.198 4.350 -0.000 0.000 0.267 52 T C 0.336 174.801 174.700 -0.392 0.000 1.039 52 T CA 1.390 63.278 62.100 -0.354 0.000 1.142 52 T CB -0.116 68.381 68.868 -0.619 0.000 0.866 52 T HN 0.356 nan 8.240 nan 0.000 0.444 53 Y N 1.301 121.687 120.300 0.144 0.000 2.369 53 Y HA 0.550 5.100 4.550 0.000 0.000 0.337 53 Y C 0.398 176.399 175.900 0.169 0.000 0.961 53 Y CA -1.155 57.048 58.100 0.173 0.000 1.186 53 Y CB 0.637 39.248 38.460 0.250 0.000 1.139 53 Y HN -0.125 nan 8.280 nan 0.000 0.494 54 R N 3.368 124.009 120.500 0.234 0.000 2.393 54 R HA 0.555 4.895 4.340 -0.000 0.000 0.310 54 R C -1.166 175.236 176.300 0.171 0.000 0.968 54 R CA -0.832 55.369 56.100 0.168 0.000 0.867 54 R CB 0.913 31.272 30.300 0.100 0.000 1.124 54 R HN 0.708 nan 8.270 nan 0.000 0.450 55 L N 4.714 126.040 121.223 0.171 0.000 2.361 55 L HA 0.215 4.555 4.340 -0.000 0.000 0.278 55 L C 0.445 177.394 176.870 0.130 0.000 1.113 55 L CA 0.225 55.165 54.840 0.167 0.000 0.849 55 L CB 0.548 42.719 42.059 0.188 0.000 1.155 55 L HN 0.380 nan 8.230 nan 0.000 0.452 56 K N 4.526 124.998 120.400 0.121 0.000 2.249 56 K HA 0.527 4.847 4.320 -0.000 0.000 0.280 56 K C -0.633 176.014 176.600 0.078 0.000 1.033 56 K CA -0.438 55.902 56.287 0.088 0.000 0.946 56 K CB 1.145 33.693 32.500 0.081 0.000 1.005 56 K HN 0.390 nan 8.250 nan 0.000 0.469 57 L N 1.774 122.990 121.223 -0.012 0.000 2.304 57 L HA 0.439 4.779 4.340 -0.000 0.000 0.268 57 L C -0.723 175.938 176.870 -0.347 0.000 1.010 57 L CA -0.995 53.732 54.840 -0.187 0.000 0.813 57 L CB 0.773 42.792 42.059 -0.067 0.000 1.315 57 L HN 0.493 nan 8.230 nan 0.000 0.445 58 Y N 0.382 120.132 120.300 -0.918 0.000 2.592 58 Y HA 0.353 4.903 4.550 0.000 0.000 0.354 58 Y C -0.277 175.414 175.900 -0.349 0.000 1.063 58 Y CA -0.344 57.398 58.100 -0.597 0.000 1.205 58 Y CB 1.364 39.359 38.460 -0.775 0.000 1.106 58 Y HN 0.504 nan 8.280 nan 0.000 0.649 59 S N 5.596 121.193 115.700 -0.172 0.000 2.481 59 S HA 0.495 4.965 4.470 -0.000 0.000 0.276 59 S C -0.510 174.045 174.600 -0.076 0.000 1.247 59 S CA -0.449 57.706 58.200 -0.075 0.000 1.053 59 S CB -0.077 63.098 63.200 -0.042 0.000 0.925 59 S HN 0.642 nan 8.310 nan 0.000 0.491 60 L N 3.402 124.553 121.223 -0.121 0.000 2.333 60 L HA 0.762 5.102 4.340 -0.000 0.000 0.263 60 L C -1.006 175.764 176.870 -0.167 0.000 1.014 60 L CA -1.002 53.710 54.840 -0.214 0.000 0.820 60 L CB 1.857 43.501 42.059 -0.691 0.000 1.352 60 L HN 0.458 nan 8.230 nan 0.000 0.421 61 R N 2.357 122.798 120.500 -0.098 0.000 2.468 61 R HA 0.318 4.658 4.340 -0.000 0.000 0.302 61 R C -1.709 174.622 176.300 0.051 0.000 1.041 61 R CA -0.447 55.656 56.100 0.005 0.000 0.899 61 R CB 1.280 31.631 30.300 0.086 0.000 1.167 61 R HN 0.653 nan 8.270 nan 0.000 0.483 62 W N 4.586 125.996 121.300 0.183 0.000 2.322 62 W HA 0.047 4.707 4.660 0.000 0.000 0.328 62 W C 1.529 178.135 176.519 0.145 0.000 1.395 62 W CA -0.295 57.169 57.345 0.199 0.000 1.267 62 W CB 0.333 29.909 29.460 0.193 0.000 1.259 62 W HN 0.648 nan 8.180 nan 0.000 0.560 63 I N 0.223 121.004 120.570 0.352 0.000 4.187 63 I HA 0.232 4.402 4.170 -0.000 0.000 0.326 63 I C 0.940 177.160 176.117 0.172 0.000 1.302 63 I CA -0.015 61.397 61.300 0.186 0.000 1.196 63 I CB -0.040 37.993 38.000 0.054 0.000 1.095 63 I HN 0.257 nan 8.210 nan 0.000 0.411 64 S N 0.689 116.531 115.700 0.237 0.000 2.998 64 S HA 0.246 4.716 4.470 -0.000 0.000 0.321 64 S C 0.265 175.014 174.600 0.249 0.000 1.171 64 S CA 0.033 58.352 58.200 0.199 0.000 0.882 64 S CB 0.752 64.025 63.200 0.121 0.000 1.301 64 S HN 0.353 nan 8.310 nan 0.000 0.629 65 D N -0.434 120.130 120.400 0.275 0.000 2.355 65 D HA -0.023 4.617 4.640 -0.000 0.000 0.218 65 D C 0.925 177.472 176.300 0.411 0.000 1.004 65 D CA 1.208 55.360 54.000 0.253 0.000 0.880 65 D CB -0.524 40.399 40.800 0.205 0.000 0.911 65 D HN 0.943 nan 8.370 nan 0.000 0.528 66 H N -2.625 116.617 119.070 0.288 0.000 3.480 66 H HA 0.482 5.038 4.556 0.000 0.000 0.257 66 H C -0.316 175.192 175.328 0.300 0.000 1.196 66 H CA -0.665 55.572 56.048 0.316 0.000 1.100 66 H CB 0.252 30.174 29.762 0.267 0.000 1.683 66 H HN -0.089 nan 8.280 nan 0.000 0.702 67 E N 1.079 121.376 120.200 0.161 0.000 2.343 67 E HA 0.365 4.715 4.350 -0.000 0.000 0.270 67 E C -1.649 175.141 176.600 0.317 0.000 0.895 67 E CA -1.459 54.983 56.400 0.070 0.000 0.767 67 E CB 2.638 32.227 29.700 -0.184 0.000 1.248 67 E HN 0.356 nan 8.360 nan 0.000 0.440 68 Y N -0.450 119.871 120.300 0.034 0.000 2.581 68 Y HA 0.629 5.179 4.550 -0.000 0.000 0.345 68 Y C -1.498 174.393 175.900 -0.016 0.000 1.036 68 Y CA -1.313 56.717 58.100 -0.117 0.000 1.042 68 Y CB 0.688 38.754 38.460 -0.657 0.000 1.289 68 Y HN 0.332 nan 8.280 nan 0.000 0.471 69 L N 2.881 124.223 121.223 0.199 0.000 2.399 69 L HA 0.514 4.854 4.340 -0.000 0.000 0.265 69 L C -1.150 175.941 176.870 0.369 0.000 1.089 69 L CA -0.922 54.032 54.840 0.190 0.000 0.802 69 L CB 1.290 43.408 42.059 0.099 0.000 1.180 69 L HN 0.807 nan 8.230 nan 0.000 0.454 70 Y N 1.264 121.659 120.300 0.158 0.000 2.474 70 Y HA 0.232 4.782 4.550 0.000 0.000 0.326 70 Y C -0.983 174.950 175.900 0.055 0.000 1.160 70 Y CA -1.282 56.855 58.100 0.062 0.000 1.056 70 Y CB 1.295 39.766 38.460 0.019 0.000 1.330 70 Y HN 0.427 nan 8.280 nan 0.000 0.447 71 K N 5.319 125.270 120.400 -0.747 0.000 2.263 71 K HA 0.256 4.575 4.320 -0.000 0.000 0.282 71 K C -0.972 175.081 176.600 -0.911 0.000 1.089 71 K CA -0.342 55.588 56.287 -0.595 0.000 0.907 71 K CB 0.616 32.934 32.500 -0.303 0.000 1.148 71 K HN 0.829 nan 8.250 nan 0.000 0.470 72 Q N 3.817 123.357 119.800 -0.433 0.000 2.400 72 Q HA 0.070 4.410 4.340 -0.000 0.000 0.255 72 Q C -1.094 174.863 176.000 -0.072 0.000 1.008 72 Q CA -0.066 55.652 55.803 -0.141 0.000 0.841 72 Q CB 0.794 29.655 28.738 0.206 0.000 1.220 72 Q HN 0.686 nan 8.270 nan 0.000 0.474 73 E N 3.292 123.448 120.200 -0.075 0.000 2.271 73 E HA -0.356 3.994 4.350 -0.000 0.000 0.223 73 E C -0.288 176.272 176.600 -0.065 0.000 1.223 73 E CA 0.610 56.981 56.400 -0.048 0.000 0.704 73 E CB -1.058 28.633 29.700 -0.014 0.000 1.194 73 E HN 1.005 nan 8.360 nan 0.000 0.375 74 N N -0.434 118.210 118.700 -0.093 0.000 2.778 74 N HA -0.205 4.535 4.740 -0.000 0.000 0.249 74 N C -1.082 174.364 175.510 -0.106 0.000 1.069 74 N CA 1.548 54.542 53.050 -0.092 0.000 0.831 74 N CB -0.296 38.152 38.487 -0.063 0.000 1.142 74 N HN 0.416 nan 8.380 nan 0.000 0.573 75 N N 0.566 119.204 118.700 -0.102 0.000 2.421 75 N HA 0.321 5.061 4.740 -0.000 0.000 0.285 75 N C -0.338 175.114 175.510 -0.097 0.000 1.027 75 N CA -0.324 52.669 53.050 -0.095 0.000 0.918 75 N CB 1.164 39.614 38.487 -0.060 0.000 1.152 75 N HN 0.145 nan 8.380 nan 0.000 0.485 76 I N 2.907 123.420 120.570 -0.094 0.000 2.396 76 I HA 0.173 4.343 4.170 -0.000 0.000 0.289 76 I C 0.102 176.263 176.117 0.074 0.000 1.056 76 I CA -0.148 61.130 61.300 -0.037 0.000 1.365 76 I CB 0.418 38.383 38.000 -0.057 0.000 1.407 76 I HN 0.207 nan 8.210 nan 0.000 0.509 77 L N 6.640 127.931 121.223 0.112 0.000 2.333 77 L HA 0.665 5.005 4.340 -0.000 0.000 0.269 77 L C -0.576 176.362 176.870 0.113 0.000 1.010 77 L CA -1.203 53.702 54.840 0.107 0.000 0.818 77 L CB 1.789 43.909 42.059 0.102 0.000 1.306 77 L HN 0.173 nan 8.230 nan 0.000 0.430 78 V N 1.227 121.123 119.914 -0.030 0.000 2.472 78 V HA 0.431 4.551 4.120 -0.000 0.000 0.290 78 V C -0.600 175.338 176.094 -0.260 0.000 1.037 78 V CA -0.320 61.923 62.300 -0.094 0.000 0.908 78 V CB 1.392 33.146 31.823 -0.115 0.000 0.985 78 V HN 0.367 nan 8.190 nan 0.000 0.454 79 F N 2.626 122.302 119.950 -0.457 0.000 2.495 79 F HA 0.418 4.945 4.527 -0.000 0.000 0.327 79 F C 0.524 176.058 175.800 -0.444 0.000 1.103 79 F CA -0.586 57.082 58.000 -0.555 0.000 0.949 79 F CB 1.615 39.967 39.000 -1.081 0.000 1.142 79 F HN 0.467 nan 8.300 nan 0.000 0.457 80 N N 2.179 120.819 118.700 -0.100 0.000 2.422 80 N HA 0.237 4.977 4.740 -0.000 0.000 0.264 80 N C 0.453 175.947 175.510 -0.027 0.000 1.063 80 N CA 0.213 53.249 53.050 -0.023 0.000 0.959 80 N CB 1.762 40.296 38.487 0.078 0.000 1.087 80 N HN 0.820 nan 8.380 nan 0.000 0.483 81 A N 3.926 126.689 122.820 -0.094 0.000 1.873 81 A HA -0.163 4.157 4.320 -0.000 0.000 0.215 81 A C 1.897 179.244 177.584 -0.396 0.000 1.186 81 A CA 1.476 53.365 52.037 -0.246 0.000 0.616 81 A CB -0.536 18.146 19.000 -0.529 0.000 0.823 81 A HN 0.804 nan 8.150 nan 0.000 0.442 82 E N -1.116 118.780 120.200 -0.506 0.000 2.077 82 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 82 E C 1.313 177.613 176.600 -0.501 0.000 0.989 82 E CA 1.729 57.813 56.400 -0.527 0.000 0.800 82 E CB -0.327 28.968 29.700 -0.676 0.000 0.746 82 E HN 0.715 nan 8.360 nan 0.000 0.452 83 Y N -1.980 118.318 120.300 -0.002 0.000 2.462 83 Y HA 0.384 4.934 4.550 -0.000 0.000 0.253 83 Y C 1.653 177.558 175.900 0.009 0.000 1.095 83 Y CA 0.271 58.376 58.100 0.009 0.000 1.283 83 Y CB 0.918 39.387 38.460 0.015 0.000 1.138 83 Y HN 0.173 nan 8.280 nan 0.000 0.522 84 G N 0.861 109.735 108.800 0.124 0.000 2.176 84 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.253 84 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.253 84 G C 0.196 175.174 174.900 0.130 0.000 0.979 84 G CA 0.213 45.395 45.100 0.137 0.000 0.641 84 G HN 0.460 nan 8.290 nan 0.000 0.530 85 N N 0.695 119.429 118.700 0.056 0.000 2.399 85 N HA 0.527 5.267 4.740 -0.000 0.000 0.250 85 N C 0.064 175.412 175.510 -0.270 0.000 1.272 85 N CA 0.791 53.802 53.050 -0.065 0.000 0.928 85 N CB 1.263 39.727 38.487 -0.039 0.000 1.158 85 N HN 0.944 nan 8.380 nan 0.000 0.463 86 S N -1.214 114.246 115.700 -0.399 0.000 2.618 86 S HA 0.678 5.148 4.470 -0.000 0.000 0.277 86 S C -0.980 173.404 174.600 -0.359 0.000 1.138 86 S CA -0.910 56.895 58.200 -0.659 0.000 0.844 86 S CB 1.568 63.979 63.200 -1.314 0.000 1.127 86 S HN 0.606 nan 8.310 nan 0.000 0.474 87 S N 0.327 115.845 115.700 -0.304 0.000 2.548 87 S HA 0.600 5.070 4.470 -0.000 0.000 0.286 87 S C -0.978 173.558 174.600 -0.105 0.000 1.098 87 S CA -0.702 57.404 58.200 -0.156 0.000 0.930 87 S CB 1.814 64.961 63.200 -0.089 0.000 1.070 87 S HN 1.024 nan 8.310 nan 0.000 0.480 88 V N 4.538 124.412 119.914 -0.067 0.000 2.427 88 V HA 0.331 4.451 4.120 -0.000 0.000 0.268 88 V C 0.357 176.461 176.094 0.017 0.000 1.046 88 V CA 0.089 62.370 62.300 -0.032 0.000 0.970 88 V CB 0.080 31.867 31.823 -0.060 0.000 1.001 88 V HN 0.937 nan 8.190 nan 0.000 0.476 89 F N 6.784 126.680 119.950 -0.090 0.000 2.187 89 F HA 0.355 4.882 4.527 -0.000 0.000 0.295 89 F C 0.406 176.155 175.800 -0.084 0.000 1.091 89 F CA 0.980 58.934 58.000 -0.077 0.000 1.308 89 F CB 0.448 39.413 39.000 -0.058 0.000 1.030 89 F HN 0.436 nan 8.300 nan 0.000 0.487 90 L N 0.625 121.768 121.223 -0.133 0.000 2.562 90 L HA 0.284 4.623 4.340 -0.000 0.000 0.266 90 L C -0.789 175.972 176.870 -0.181 0.000 0.949 90 L CA -0.437 54.258 54.840 -0.241 0.000 0.879 90 L CB 1.573 43.507 42.059 -0.210 0.000 1.278 90 L HN -0.124 nan 8.230 nan 0.000 0.404 91 E N 2.203 122.275 120.200 -0.214 0.000 2.390 91 E HA 0.074 4.424 4.350 -0.000 0.000 0.261 91 E C 0.444 176.937 176.600 -0.179 0.000 1.076 91 E CA -0.029 56.267 56.400 -0.175 0.000 0.905 91 E CB 0.772 30.369 29.700 -0.172 0.000 0.984 91 E HN 0.704 nan 8.360 nan 0.000 0.427 92 N N 1.087 119.711 118.700 -0.128 0.000 2.244 92 N HA -0.191 4.549 4.740 -0.000 0.000 0.183 92 N C 1.495 176.942 175.510 -0.107 0.000 1.016 92 N CA 1.729 54.717 53.050 -0.104 0.000 0.866 92 N CB -0.397 38.045 38.487 -0.075 0.000 0.980 92 N HN 0.364 nan 8.380 nan 0.000 0.430 93 S N -0.022 115.605 115.700 -0.122 0.000 2.402 93 S HA -0.083 4.387 4.470 -0.000 0.000 0.229 93 S C 0.946 175.445 174.600 -0.167 0.000 1.021 93 S CA 0.640 58.770 58.200 -0.116 0.000 0.974 93 S CB -1.458 61.680 63.200 -0.104 0.000 0.800 93 S HN 0.547 nan 8.310 nan 0.000 0.484 94 T N 0.030 114.412 114.554 -0.286 0.000 2.916 94 T HA 0.406 4.756 4.350 -0.000 0.000 0.303 94 T C -0.061 174.309 174.700 -0.550 0.000 1.025 94 T CA -0.392 61.396 62.100 -0.520 0.000 1.142 94 T CB -0.377 68.025 68.868 -0.777 0.000 0.947 94 T HN 0.452 nan 8.240 nan 0.000 0.544 95 F N -0.381 119.447 119.950 -0.203 0.000 2.893 95 F HA -0.140 4.387 4.527 -0.000 0.000 0.287 95 F C 0.790 176.548 175.800 -0.070 0.000 0.766 95 F CA -0.000 57.895 58.000 -0.174 0.000 1.362 95 F CB -2.814 35.985 39.000 -0.336 0.000 1.518 95 F HN 0.615 nan 8.300 nan 0.000 0.417 96 D N 0.479 120.913 120.400 0.057 0.000 2.194 96 D HA -0.028 4.612 4.640 -0.000 0.000 0.204 96 D C 1.267 177.599 176.300 0.054 0.000 0.964 96 D CA 1.281 55.303 54.000 0.037 0.000 0.846 96 D CB 0.107 40.901 40.800 -0.011 0.000 0.962 96 D HN 0.479 nan 8.370 nan 0.000 0.490 97 E N -0.621 119.623 120.200 0.072 0.000 2.598 97 E HA 0.120 4.470 4.350 -0.000 0.000 0.233 97 E C 0.214 176.870 176.600 0.094 0.000 1.173 97 E CA -0.302 56.128 56.400 0.050 0.000 1.473 97 E CB -0.048 29.665 29.700 0.022 0.000 1.398 97 E HN 0.086 nan 8.360 nan 0.000 0.431 98 F N 0.150 120.067 119.950 -0.055 0.000 2.473 98 F HA 0.220 4.747 4.527 0.000 0.000 0.294 98 F C 1.831 177.458 175.800 -0.288 0.000 1.103 98 F CA 1.341 59.275 58.000 -0.110 0.000 1.442 98 F CB 0.422 39.362 39.000 -0.100 0.000 1.097 98 F HN 0.275 nan 8.300 nan 0.000 0.547 99 G N -0.407 108.188 108.800 -0.342 0.000 2.241 99 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.244 99 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.244 99 G C -0.004 174.470 174.900 -0.710 0.000 0.998 99 G CA 0.285 45.023 45.100 -0.602 0.000 0.621 99 G HN 0.580 nan 8.290 nan 0.000 0.519 100 H N 0.209 119.157 119.070 -0.204 0.000 2.768 100 H HA 0.632 5.188 4.556 -0.000 0.000 0.371 100 H C -0.201 175.169 175.328 0.070 0.000 1.151 100 H CA -0.265 55.719 56.048 -0.107 0.000 1.165 100 H CB 1.722 31.272 29.762 -0.353 0.000 1.722 100 H HN 0.234 nan 8.280 nan 0.000 0.543 101 S N 2.258 118.072 115.700 0.190 0.000 2.510 101 S HA 0.195 4.665 4.470 -0.000 0.000 0.279 101 S C 0.140 174.825 174.600 0.142 0.000 1.284 101 S CA -0.549 57.729 58.200 0.130 0.000 1.059 101 S CB -0.116 63.139 63.200 0.091 0.000 0.901 101 S HN 0.317 nan 8.310 nan 0.000 0.491 102 I N 3.315 123.930 120.570 0.074 0.000 2.337 102 I HA 0.198 4.368 4.170 -0.000 0.000 0.291 102 I C 1.362 177.488 176.117 0.015 0.000 1.046 102 I CA -0.170 61.148 61.300 0.030 0.000 1.324 102 I CB 0.673 38.615 38.000 -0.097 0.000 1.409 102 I HN 0.652 nan 8.210 nan 0.000 0.494 103 N N 3.282 121.983 118.700 0.001 0.000 2.251 103 N HA -0.023 4.717 4.740 -0.000 0.000 0.181 103 N C 0.084 175.543 175.510 -0.084 0.000 1.019 103 N CA 1.074 54.073 53.050 -0.085 0.000 0.862 103 N CB 0.408 38.791 38.487 -0.174 0.000 0.992 103 N HN 0.635 nan 8.380 nan 0.000 0.429 104 D N -2.470 117.909 120.400 -0.034 0.000 2.626 104 D HA 0.236 4.876 4.640 -0.000 0.000 0.278 104 D C -1.589 174.777 176.300 0.112 0.000 1.211 104 D CA -0.481 53.513 54.000 -0.010 0.000 0.903 104 D CB 1.331 42.089 40.800 -0.069 0.000 1.408 104 D HN 0.105 nan 8.370 nan 0.000 0.454 105 Y N -1.638 118.693 120.300 0.052 0.000 2.588 105 Y HA 0.713 5.263 4.550 -0.000 0.000 0.343 105 Y C -1.198 174.804 175.900 0.170 0.000 1.065 105 Y CA -0.962 57.198 58.100 0.099 0.000 1.038 105 Y CB 1.746 40.252 38.460 0.076 0.000 1.297 105 Y HN 0.127 nan 8.280 nan 0.000 0.467 106 S N 2.601 118.534 115.700 0.388 0.000 2.536 106 S HA 0.536 5.006 4.470 -0.000 0.000 0.246 106 S C -1.390 173.576 174.600 0.610 0.000 1.077 106 S CA -0.468 57.972 58.200 0.400 0.000 1.091 106 S CB -0.106 63.304 63.200 0.350 0.000 1.148 106 S HN 0.671 nan 8.310 nan 0.000 0.447 107 I N 2.880 123.685 120.570 0.392 0.000 2.638 107 I HA 0.270 4.440 4.170 -0.000 0.000 0.286 107 I C 1.190 177.109 176.117 -0.330 0.000 1.088 107 I CA -0.038 61.365 61.300 0.171 0.000 1.397 107 I CB 1.229 39.320 38.000 0.151 0.000 1.414 107 I HN 0.457 nan 8.210 nan 0.000 0.566 108 S N 5.658 120.909 115.700 -0.748 0.000 2.558 108 S HA 0.013 4.483 4.470 -0.000 0.000 0.287 108 S C -1.427 172.905 174.600 -0.446 0.000 1.321 108 S CA -0.659 56.902 58.200 -1.065 0.000 1.048 108 S CB 0.572 63.352 63.200 -0.699 0.000 0.844 108 S HN 0.454 nan 8.310 nan 0.000 0.512 109 P HA -0.106 nan 4.420 nan 0.000 0.219 109 P C 0.592 177.823 177.300 -0.115 0.000 1.146 109 P CA 0.961 63.969 63.100 -0.153 0.000 0.808 109 P CB -0.004 31.631 31.700 -0.110 0.000 0.779 110 D N -2.177 118.153 120.400 -0.115 0.000 2.339 110 D HA 0.121 4.761 4.640 -0.000 0.000 0.217 110 D C 1.294 177.577 176.300 -0.029 0.000 1.050 110 D CA 0.319 54.289 54.000 -0.049 0.000 0.856 110 D CB -1.119 39.673 40.800 -0.013 0.000 0.922 110 D HN 0.144 nan 8.370 nan 0.000 0.518 111 G N 0.472 109.238 108.800 -0.057 0.000 2.179 111 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.257 111 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.257 111 G C 0.819 175.780 174.900 0.102 0.000 1.010 111 G CA 0.616 45.750 45.100 0.057 0.000 0.736 111 G HN 0.465 nan 8.290 nan 0.000 0.513 112 Q N -1.829 117.928 119.800 -0.071 0.000 2.373 112 Q HA 0.378 4.718 4.340 -0.000 0.000 0.210 112 Q C 0.134 175.716 176.000 -0.696 0.000 0.913 112 Q CA 0.615 56.191 55.803 -0.379 0.000 0.911 112 Q CB 0.560 29.032 28.738 -0.444 0.000 1.040 112 Q HN 0.563 nan 8.270 nan 0.000 0.521 113 F N -0.187 119.742 119.950 -0.035 0.000 2.588 113 F HA 0.489 5.016 4.527 -0.000 0.000 0.310 113 F C -0.586 175.322 175.800 0.180 0.000 1.082 113 F CA -1.110 56.934 58.000 0.074 0.000 0.929 113 F CB 1.844 40.931 39.000 0.146 0.000 1.254 113 F HN -0.192 nan 8.300 nan 0.000 0.455 114 I N 3.519 124.420 120.570 0.552 0.000 2.465 114 I HA 0.461 4.631 4.170 -0.000 0.000 0.291 114 I C -1.476 174.980 176.117 0.565 0.000 1.014 114 I CA -0.679 60.951 61.300 0.550 0.000 1.093 114 I CB 1.337 39.615 38.000 0.464 0.000 1.267 114 I HN 0.492 nan 8.210 nan 0.000 0.431 115 L N 7.775 129.352 121.223 0.591 0.000 2.305 115 L HA 0.391 4.731 4.340 -0.000 0.000 0.281 115 L C -0.842 176.192 176.870 0.273 0.000 1.085 115 L CA -0.611 54.463 54.840 0.390 0.000 0.813 115 L CB 1.206 43.441 42.059 0.294 0.000 1.157 115 L HN 0.537 nan 8.230 nan 0.000 0.436 116 L N 4.096 125.419 121.223 0.166 0.000 2.298 116 L HA 0.428 4.768 4.340 -0.000 0.000 0.284 116 L C -0.103 176.816 176.870 0.083 0.000 1.013 116 L CA -0.397 54.453 54.840 0.015 0.000 0.824 116 L CB 1.660 43.512 42.059 -0.345 0.000 1.221 116 L HN 0.563 nan 8.230 nan 0.000 0.418 117 E N 3.525 123.731 120.200 0.010 0.000 2.167 117 E HA 0.407 4.757 4.350 -0.000 0.000 0.284 117 E C -1.486 175.097 176.600 -0.028 0.000 1.016 117 E CA -0.424 55.850 56.400 -0.210 0.000 0.817 117 E CB 0.886 30.508 29.700 -0.130 0.000 1.080 117 E HN 0.452 nan 8.360 nan 0.000 0.397 118 Y N 1.626 121.778 120.300 -0.247 0.000 2.689 118 Y HA 0.424 4.974 4.550 -0.000 0.000 0.333 118 Y C -0.203 175.616 175.900 -0.134 0.000 1.190 118 Y CA -1.568 56.463 58.100 -0.115 0.000 1.063 118 Y CB 0.631 39.081 38.460 -0.017 0.000 1.294 118 Y HN 0.443 nan 8.280 nan 0.000 0.466 119 N N -0.067 118.645 118.700 0.020 0.000 2.735 119 N HA -0.302 4.438 4.740 -0.000 0.000 0.248 119 N C -1.033 174.453 175.510 -0.039 0.000 1.083 119 N CA 1.049 54.066 53.050 -0.057 0.000 0.703 119 N CB -1.536 36.828 38.487 -0.204 0.000 1.005 119 N HN 0.875 nan 8.380 nan 0.000 0.550 120 Y N 0.064 120.307 120.300 -0.095 0.000 2.632 120 Y HA 0.294 4.844 4.550 -0.000 0.000 0.329 120 Y C 0.003 175.877 175.900 -0.043 0.000 1.174 120 Y CA -0.019 58.031 58.100 -0.084 0.000 1.469 120 Y CB 0.705 39.079 38.460 -0.144 0.000 1.242 120 Y HN -0.014 nan 8.280 nan 0.000 0.540 121 V N 8.011 127.548 119.914 -0.628 0.000 2.488 121 V HA 0.191 4.311 4.120 -0.000 0.000 0.293 121 V C -0.379 175.327 176.094 -0.647 0.000 1.027 121 V CA -1.403 60.564 62.300 -0.555 0.000 0.862 121 V CB 1.366 33.040 31.823 -0.249 0.000 1.008 121 V HN 0.734 nan 8.190 nan 0.000 0.428 122 K N 3.471 123.444 120.400 -0.712 0.000 2.401 122 K HA 0.232 4.552 4.320 -0.000 0.000 0.278 122 K C 0.400 176.824 176.600 -0.292 0.000 1.018 122 K CA 0.166 56.212 56.287 -0.403 0.000 0.981 122 K CB 1.213 33.619 32.500 -0.158 0.000 0.933 122 K HN 0.808 nan 8.250 nan 0.000 0.477 123 Q N 3.067 122.676 119.800 -0.319 0.000 2.961 123 Q HA 0.159 4.499 4.340 -0.000 0.000 0.300 123 Q C -0.056 175.715 176.000 -0.381 0.000 1.143 123 Q CA -0.200 55.228 55.803 -0.625 0.000 0.398 123 Q CB 0.047 28.233 28.738 -0.921 0.000 5.422 123 Q HN 0.665 nan 8.270 nan 0.000 0.333 124 W N 0.075 121.374 121.300 -0.002 0.000 1.833 124 W HA 0.344 5.004 4.660 -0.000 0.000 0.593 124 W C 1.799 178.293 176.519 -0.041 0.000 1.936 124 W CA -0.777 56.585 57.345 0.028 0.000 2.192 124 W CB -0.141 29.311 29.460 -0.014 0.000 2.633 124 W HN 0.381 nan 8.180 nan 0.000 0.783 125 R N -0.513 120.072 120.500 0.142 0.000 2.094 125 R HA -0.194 4.146 4.340 -0.000 0.000 0.239 125 R C 1.844 177.988 176.300 -0.260 0.000 1.137 125 R CA 2.169 58.178 56.100 -0.152 0.000 0.943 125 R CB -0.575 29.490 30.300 -0.392 0.000 0.850 125 R HN 0.531 nan 8.270 nan 0.000 0.433 126 H N -1.115 118.005 119.070 0.084 0.000 2.681 126 H HA 0.149 4.705 4.556 0.000 0.000 0.268 126 H C 0.610 175.989 175.328 0.084 0.000 0.967 126 H CA 0.459 56.570 56.048 0.105 0.000 1.233 126 H CB 0.226 30.026 29.762 0.063 0.000 1.445 126 H HN 0.171 nan 8.280 nan 0.000 0.494 127 S N 1.490 117.159 115.700 -0.052 0.000 2.564 127 S HA 0.330 4.800 4.470 -0.000 0.000 0.278 127 S C -0.313 174.139 174.600 -0.247 0.000 1.333 127 S CA -0.537 57.312 58.200 -0.584 0.000 1.048 127 S CB 0.442 62.922 63.200 -1.200 0.000 0.900 127 S HN 0.458 nan 8.310 nan 0.000 0.505 128 Y N -2.068 118.067 120.300 -0.275 0.000 2.677 128 Y HA 0.717 5.267 4.550 -0.000 0.000 0.334 128 Y C -0.902 175.013 175.900 0.025 0.000 1.196 128 Y CA -1.120 56.896 58.100 -0.140 0.000 1.059 128 Y CB 0.854 39.314 38.460 -0.000 0.000 1.315 128 Y HN 0.574 nan 8.280 nan 0.000 0.455 129 T N 1.783 116.423 114.554 0.142 0.000 2.856 129 T HA 0.923 5.273 4.350 -0.000 0.000 0.283 129 T C -0.957 173.855 174.700 0.186 0.000 1.008 129 T CA 0.089 62.271 62.100 0.137 0.000 0.997 129 T CB 1.203 70.085 68.868 0.023 0.000 0.992 129 T HN 1.196 nan 8.240 nan 0.000 0.454 130 A N 1.934 124.860 122.820 0.177 0.000 2.586 130 A HA 0.781 5.101 4.320 -0.000 0.000 0.290 130 A C -0.797 176.660 177.584 -0.211 0.000 1.086 130 A CA -0.734 51.289 52.037 -0.024 0.000 0.665 130 A CB 1.314 20.309 19.000 -0.008 0.000 1.279 130 A HN 0.654 nan 8.150 nan 0.000 0.423 131 S N -0.660 114.664 115.700 -0.627 0.000 2.651 131 S HA 0.795 5.265 4.470 -0.000 0.000 0.291 131 S C -1.491 172.462 174.600 -1.078 0.000 1.141 131 S CA -0.042 57.669 58.200 -0.816 0.000 1.027 131 S CB 0.614 63.041 63.200 -1.288 0.000 1.043 131 S HN 0.448 nan 8.310 nan 0.000 0.530 132 Y N 0.184 120.257 120.300 -0.378 0.000 2.470 132 Y HA 0.424 4.974 4.550 0.000 0.000 0.341 132 Y C -0.656 175.298 175.900 0.089 0.000 1.021 132 Y CA -0.925 57.111 58.100 -0.108 0.000 1.025 132 Y CB 1.829 40.177 38.460 -0.186 0.000 1.266 132 Y HN 0.527 nan 8.280 nan 0.000 0.448 133 D N 2.654 123.280 120.400 0.377 0.000 2.505 133 D HA 0.566 5.206 4.640 -0.000 0.000 0.249 133 D C -0.962 175.487 176.300 0.248 0.000 1.082 133 D CA -0.299 53.904 54.000 0.338 0.000 0.839 133 D CB 1.683 42.800 40.800 0.528 0.000 1.317 133 D HN 0.340 nan 8.370 nan 0.000 0.497 134 I N 2.378 123.080 120.570 0.221 0.000 2.385 134 I HA 0.259 4.429 4.170 -0.000 0.000 0.294 134 I C -0.826 175.513 176.117 0.370 0.000 0.988 134 I CA -0.861 60.604 61.300 0.274 0.000 1.265 134 I CB 0.995 39.106 38.000 0.185 0.000 1.388 134 I HN 0.359 nan 8.210 nan 0.000 0.480 135 Y N 5.452 125.928 120.300 0.293 0.000 2.345 135 Y HA 0.251 4.801 4.550 -0.000 0.000 0.331 135 Y C -0.140 175.925 175.900 0.275 0.000 0.959 135 Y CA -0.802 57.467 58.100 0.281 0.000 1.204 135 Y CB 0.824 39.486 38.460 0.337 0.000 1.135 135 Y HN 0.515 nan 8.280 nan 0.000 0.477 136 D N 5.314 125.625 120.400 -0.148 0.000 2.383 136 D HA 0.025 4.665 4.640 -0.000 0.000 0.252 136 D C 0.432 176.370 176.300 -0.603 0.000 1.166 136 D CA 0.530 54.376 54.000 -0.256 0.000 0.879 136 D CB 1.463 42.192 40.800 -0.119 0.000 1.164 136 D HN 0.836 nan 8.370 nan 0.000 0.462 137 L N 4.152 125.077 121.223 -0.496 0.000 2.127 137 L HA -0.014 4.326 4.340 -0.000 0.000 0.203 137 L C 2.185 178.859 176.870 -0.325 0.000 1.080 137 L CA 0.457 55.062 54.840 -0.392 0.000 0.768 137 L CB -0.144 41.747 42.059 -0.280 0.000 0.924 137 L HN 0.455 nan 8.230 nan 0.000 0.444 138 N N -0.137 118.379 118.700 -0.307 0.000 2.453 138 N HA -0.144 4.596 4.740 -0.000 0.000 0.183 138 N C 1.300 176.699 175.510 -0.184 0.000 1.041 138 N CA 0.947 53.869 53.050 -0.214 0.000 0.900 138 N CB 0.117 38.492 38.487 -0.186 0.000 0.961 138 N HN 0.386 nan 8.380 nan 0.000 0.443 139 K N 0.342 120.610 120.400 -0.220 0.000 2.354 139 K HA 0.215 4.535 4.320 -0.000 0.000 0.194 139 K C -0.031 176.453 176.600 -0.193 0.000 1.038 139 K CA -0.219 55.965 56.287 -0.171 0.000 1.052 139 K CB 0.622 33.038 32.500 -0.140 0.000 0.861 139 K HN -0.045 nan 8.250 nan 0.000 0.535 140 R N 2.066 122.388 120.500 -0.297 0.000 3.225 140 R HA -0.205 4.135 4.340 -0.000 0.000 0.245 140 R C -0.970 175.213 176.300 -0.196 0.000 0.928 140 R CA 0.969 56.898 56.100 -0.286 0.000 0.632 140 R CB -1.975 28.267 30.300 -0.097 0.000 1.038 140 R HN 0.546 nan 8.270 nan 0.000 0.461 141 Q N -1.015 118.579 119.800 -0.343 0.000 2.386 141 Q HA 0.505 4.845 4.340 -0.000 0.000 0.274 141 Q C -0.842 175.133 176.000 -0.042 0.000 1.011 141 Q CA -1.152 54.614 55.803 -0.062 0.000 0.867 141 Q CB 1.246 29.974 28.738 -0.016 0.000 1.409 141 Q HN 0.120 nan 8.270 nan 0.000 0.395 142 L N 2.841 124.210 121.223 0.242 0.000 2.410 142 L HA 0.238 4.578 4.340 -0.000 0.000 0.273 142 L C 0.406 177.373 176.870 0.161 0.000 1.152 142 L CA -0.622 54.398 54.840 0.300 0.000 0.855 142 L CB -0.026 42.276 42.059 0.405 0.000 1.129 142 L HN 0.683 nan 8.230 nan 0.000 0.463 143 I N -0.070 120.587 120.570 0.145 0.000 2.598 143 I HA 0.029 4.199 4.170 -0.000 0.000 0.284 143 I C 0.913 177.077 176.117 0.078 0.000 1.140 143 I CA 0.581 61.936 61.300 0.091 0.000 1.420 143 I CB 0.931 38.978 38.000 0.078 0.000 1.387 143 I HN 0.561 nan 8.210 nan 0.000 0.553 144 T N 3.455 118.037 114.554 0.047 0.000 3.014 144 T HA 0.203 4.553 4.350 -0.000 0.000 0.250 144 T C 0.264 174.967 174.700 0.004 0.000 1.060 144 T CA 0.475 62.596 62.100 0.035 0.000 1.040 144 T CB -0.141 68.746 68.868 0.032 0.000 0.971 144 T HN 0.885 nan 8.240 nan 0.000 0.497 145 E N 0.351 120.545 120.200 -0.011 0.000 2.393 145 E HA 0.583 4.933 4.350 -0.000 0.000 0.265 145 E C -0.497 176.067 176.600 -0.061 0.000 0.941 145 E CA -0.861 55.517 56.400 -0.037 0.000 0.801 145 E CB 0.334 30.014 29.700 -0.032 0.000 1.313 145 E HN -0.186 nan 8.360 nan 0.000 0.435 146 E N 0.317 120.465 120.200 -0.087 0.000 2.269 146 E HA -0.253 4.097 4.350 -0.000 0.000 0.223 146 E C -0.660 175.846 176.600 -0.157 0.000 1.244 146 E CA 0.661 56.987 56.400 -0.122 0.000 0.713 146 E CB -1.354 28.282 29.700 -0.106 0.000 1.178 146 E HN 0.454 nan 8.360 nan 0.000 0.370 147 R N -0.253 120.147 120.500 -0.167 0.000 2.679 147 R HA 0.332 4.672 4.340 -0.000 0.000 0.269 147 R C 1.090 177.189 176.300 -0.336 0.000 1.076 147 R CA -0.561 55.426 56.100 -0.188 0.000 1.160 147 R CB 0.475 30.698 30.300 -0.128 0.000 1.054 147 R HN 0.091 nan 8.270 nan 0.000 0.507 148 I N 3.841 124.177 120.570 -0.390 0.000 2.598 148 I HA 0.014 4.184 4.170 -0.000 0.000 0.284 148 I C -1.765 174.042 176.117 -0.518 0.000 1.140 148 I CA -1.411 59.496 61.300 -0.655 0.000 1.420 148 I CB 0.399 38.027 38.000 -0.619 0.000 1.387 148 I HN 0.268 nan 8.210 nan 0.000 0.553 149 P HA 0.079 nan 4.420 nan 0.000 0.272 149 P C -0.772 176.320 177.300 -0.347 0.000 1.240 149 P CA -0.381 62.333 63.100 -0.644 0.000 0.791 149 P CB 0.385 31.283 31.700 -1.336 0.000 0.978 150 N N 1.761 120.333 118.700 -0.212 0.000 2.371 150 N HA 0.016 4.756 4.740 -0.000 0.000 0.243 150 N C 0.288 175.860 175.510 0.105 0.000 1.287 150 N CA 0.214 53.214 53.050 -0.084 0.000 0.911 150 N CB -0.447 38.000 38.487 -0.066 0.000 1.142 150 N HN 0.386 nan 8.380 nan 0.000 0.451 151 N N -1.114 117.650 118.700 0.105 0.000 2.735 151 N HA -0.154 4.586 4.740 -0.000 0.000 0.248 151 N C -0.890 174.834 175.510 0.357 0.000 1.083 151 N CA 0.793 53.959 53.050 0.193 0.000 0.703 151 N CB -1.851 36.746 38.487 0.184 0.000 1.005 151 N HN 0.467 nan 8.380 nan 0.000 0.550 152 T N 0.514 115.259 114.554 0.317 0.000 2.832 152 T HA 0.166 4.516 4.350 -0.000 0.000 0.296 152 T C 1.675 176.550 174.700 0.292 0.000 0.968 152 T CA -0.158 62.148 62.100 0.343 0.000 1.107 152 T CB 1.507 70.475 68.868 0.166 0.000 0.916 152 T HN 0.171 nan 8.240 nan 0.000 0.517 153 Q N 1.927 121.887 119.800 0.268 0.000 2.123 153 Q HA 0.142 4.482 4.340 -0.000 0.000 0.196 153 Q C 0.155 176.338 176.000 0.304 0.000 0.958 153 Q CA 0.631 56.609 55.803 0.293 0.000 0.841 153 Q CB 0.649 29.524 28.738 0.228 0.000 0.915 153 Q HN 0.698 nan 8.270 nan 0.000 0.455 154 W N 0.259 121.511 121.300 -0.080 0.000 3.372 154 W HA 0.489 5.149 4.660 -0.000 0.000 0.315 154 W C -2.075 174.343 176.519 -0.168 0.000 1.223 154 W CA -0.770 56.480 57.345 -0.159 0.000 1.202 154 W CB 1.440 30.738 29.460 -0.270 0.000 1.367 154 W HN -0.333 nan 8.180 nan 0.000 0.531 155 V N 3.018 122.244 119.914 -1.147 0.000 2.789 155 V HA 0.715 4.835 4.120 -0.000 0.000 0.311 155 V C -0.253 175.153 176.094 -1.147 0.000 1.073 155 V CA -0.685 61.008 62.300 -1.010 0.000 0.921 155 V CB 1.696 32.872 31.823 -1.078 0.000 1.009 155 V HN 0.515 nan 8.190 nan 0.000 0.426 156 T N -0.480 113.728 114.554 -0.577 0.000 2.916 156 T HA 0.584 4.934 4.350 -0.000 0.000 0.305 156 T C -0.884 173.736 174.700 -0.134 0.000 1.119 156 T CA -0.635 61.320 62.100 -0.241 0.000 1.008 156 T CB 1.323 70.312 68.868 0.202 0.000 1.129 156 T HN 0.557 nan 8.240 nan 0.000 0.480 157 W N 1.748 123.045 121.300 -0.006 0.000 2.086 157 W HA 0.462 5.122 4.660 0.000 0.000 0.355 157 W C 1.074 177.369 176.519 -0.373 0.000 1.313 157 W CA -0.590 56.698 57.345 -0.094 0.000 1.358 157 W CB 0.533 29.954 29.460 -0.064 0.000 1.166 157 W HN 0.823 nan 8.180 nan 0.000 0.630 158 S N 0.447 115.879 115.700 -0.447 0.000 2.632 158 S HA 0.215 4.685 4.470 -0.000 0.000 0.267 158 S C -1.967 172.373 174.600 -0.433 0.000 1.276 158 S CA -1.099 56.386 58.200 -1.193 0.000 0.998 158 S CB 1.016 63.478 63.200 -1.231 0.000 0.953 158 S HN 0.238 nan 8.310 nan 0.000 0.547 159 P HA 0.058 nan 4.420 nan 0.000 0.226 159 P C -0.152 177.096 177.300 -0.087 0.000 1.153 159 P CA 0.590 63.640 63.100 -0.083 0.000 0.777 159 P CB -0.170 31.526 31.700 -0.008 0.000 0.794 160 V N -5.751 114.069 119.914 -0.156 0.000 2.888 160 V HA 0.870 4.990 4.120 -0.000 0.000 0.309 160 V C 0.268 176.247 176.094 -0.192 0.000 1.114 160 V CA -0.395 61.826 62.300 -0.133 0.000 0.940 160 V CB 1.131 32.901 31.823 -0.088 0.000 1.021 160 V HN 0.371 nan 8.190 nan 0.000 0.426 161 G N 2.818 111.505 108.800 -0.188 0.000 2.481 161 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.230 161 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.230 161 G C -0.019 174.741 174.900 -0.233 0.000 1.210 161 G CA 0.429 45.350 45.100 -0.298 0.000 0.936 161 G HN 2.398 nan 8.290 nan 0.000 0.583 162 H N -0.705 118.377 119.070 0.019 0.000 3.233 162 H HA 0.422 4.978 4.556 -0.000 0.000 0.232 162 H C 0.144 175.609 175.328 0.229 0.000 1.322 162 H CA -0.319 55.811 56.048 0.137 0.000 1.043 162 H CB -0.135 29.726 29.762 0.164 0.000 2.572 162 H HN 0.466 nan 8.280 nan 0.000 0.597 163 K N 1.749 122.238 120.400 0.149 0.000 2.295 163 K HA 0.421 4.741 4.320 -0.000 0.000 0.270 163 K C -0.429 176.272 176.600 0.168 0.000 1.011 163 K CA -0.268 56.087 56.287 0.114 0.000 0.953 163 K CB 1.629 34.081 32.500 -0.080 0.000 0.956 163 K HN 0.185 nan 8.250 nan 0.000 0.477 164 L N 1.533 122.859 121.223 0.171 0.000 2.362 164 L HA 0.586 4.926 4.340 -0.000 0.000 0.271 164 L C -0.861 176.160 176.870 0.252 0.000 1.002 164 L CA -0.769 54.112 54.840 0.069 0.000 0.818 164 L CB 2.055 44.022 42.059 -0.155 0.000 1.298 164 L HN 0.705 nan 8.230 nan 0.000 0.420 165 A N 2.826 125.789 122.820 0.239 0.000 2.356 165 A HA 0.788 5.108 4.320 -0.000 0.000 0.310 165 A C -1.647 175.948 177.584 0.018 0.000 1.075 165 A CA -0.373 51.737 52.037 0.121 0.000 0.746 165 A CB 1.188 20.235 19.000 0.079 0.000 1.221 165 A HN 0.640 nan 8.150 nan 0.000 0.443 166 Y N -0.258 119.977 120.300 -0.107 0.000 2.534 166 Y HA 0.720 5.270 4.550 -0.000 0.000 0.345 166 Y C -1.312 174.580 175.900 -0.012 0.000 1.031 166 Y CA -1.501 56.512 58.100 -0.146 0.000 1.022 166 Y CB 1.195 39.511 38.460 -0.240 0.000 1.292 166 Y HN 0.369 nan 8.280 nan 0.000 0.459 167 V N 3.307 123.299 119.914 0.129 0.000 2.370 167 V HA 0.308 4.428 4.120 -0.000 0.000 0.283 167 V C -1.295 174.989 176.094 0.317 0.000 1.023 167 V CA -0.542 61.824 62.300 0.110 0.000 0.857 167 V CB 0.960 32.776 31.823 -0.011 0.000 0.985 167 V HN 0.877 nan 8.190 nan 0.000 0.443 168 W N 5.641 127.036 121.300 0.158 0.000 2.830 168 W HA 0.475 5.135 4.660 -0.000 0.000 0.335 168 W C 0.333 176.913 176.519 0.101 0.000 1.043 168 W CA -0.738 56.698 57.345 0.150 0.000 1.239 168 W CB 1.108 30.682 29.460 0.190 0.000 1.378 168 W HN 0.777 nan 8.180 nan 0.000 0.456 169 N N 5.021 123.403 118.700 -0.531 0.000 2.741 169 N HA -0.318 4.422 4.740 -0.000 0.000 0.250 169 N C -0.016 175.312 175.510 -0.304 0.000 1.115 169 N CA 1.091 53.791 53.050 -0.583 0.000 0.724 169 N CB -0.952 36.942 38.487 -0.988 0.000 1.090 169 N HN 0.781 nan 8.380 nan 0.000 0.558 170 N N -1.061 117.529 118.700 -0.183 0.000 2.925 170 N HA -0.136 4.604 4.740 -0.000 0.000 0.244 170 N C -1.540 173.871 175.510 -0.166 0.000 1.000 170 N CA 1.607 54.565 53.050 -0.154 0.000 0.895 170 N CB -0.579 37.779 38.487 -0.215 0.000 1.119 170 N HN 0.491 nan 8.380 nan 0.000 0.569 171 D N -0.054 120.239 120.400 -0.179 0.000 2.457 171 D HA 0.480 5.120 4.640 -0.000 0.000 0.240 171 D C 0.388 176.458 176.300 -0.383 0.000 1.041 171 D CA -0.445 53.365 54.000 -0.317 0.000 0.861 171 D CB 1.333 41.886 40.800 -0.411 0.000 1.394 171 D HN 0.017 nan 8.370 nan 0.000 0.473 172 I N 1.933 122.157 120.570 -0.578 0.000 2.428 172 I HA 0.178 4.348 4.170 -0.000 0.000 0.289 172 I C -0.514 175.114 176.117 -0.815 0.000 1.019 172 I CA -0.214 60.729 61.300 -0.596 0.000 1.351 172 I CB 0.406 37.996 38.000 -0.682 0.000 1.412 172 I HN 0.168 nan 8.210 nan 0.000 0.513 173 Y N 4.097 124.006 120.300 -0.651 0.000 2.536 173 Y HA 0.677 5.227 4.550 -0.000 0.000 0.347 173 Y C -0.321 175.246 175.900 -0.556 0.000 1.000 173 Y CA -0.987 56.706 58.100 -0.678 0.000 1.051 173 Y CB 1.922 39.776 38.460 -1.010 0.000 1.259 173 Y HN 0.103 nan 8.280 nan 0.000 0.468 174 V N 2.212 122.086 119.914 -0.067 0.000 2.588 174 V HA 0.436 4.556 4.120 -0.000 0.000 0.304 174 V C -0.941 175.284 176.094 0.219 0.000 1.042 174 V CA -1.385 60.965 62.300 0.082 0.000 0.877 174 V CB 2.000 33.893 31.823 0.117 0.000 0.996 174 V HN 0.612 nan 8.190 nan 0.000 0.425 175 K N 4.336 124.864 120.400 0.213 0.000 2.339 175 K HA 0.507 4.827 4.320 -0.000 0.000 0.264 175 K C 0.493 177.216 176.600 0.205 0.000 0.986 175 K CA -0.679 55.720 56.287 0.187 0.000 0.866 175 K CB 1.643 34.203 32.500 0.101 0.000 1.103 175 K HN 0.445 nan 8.250 nan 0.000 0.441 176 I N 1.219 121.939 120.570 0.250 0.000 2.286 176 I HA -0.073 4.097 4.170 -0.000 0.000 0.245 176 I C 0.449 176.679 176.117 0.187 0.000 1.104 176 I CA 1.431 62.862 61.300 0.217 0.000 1.397 176 I CB -0.253 37.887 38.000 0.233 0.000 1.072 176 I HN 0.567 nan 8.210 nan 0.000 0.417 177 E N 0.134 120.407 120.200 0.122 0.000 2.238 177 E HA 0.279 4.629 4.350 -0.000 0.000 0.267 177 E C -1.828 174.722 176.600 -0.084 0.000 0.887 177 E CA -2.104 54.313 56.400 0.029 0.000 0.769 177 E CB 1.706 31.430 29.700 0.038 0.000 1.187 177 E HN -0.126 nan 8.360 nan 0.000 0.416 178 P HA -0.158 nan 4.420 nan 0.000 0.218 178 P C 0.868 178.078 177.300 -0.150 0.000 1.148 178 P CA 1.272 64.199 63.100 -0.289 0.000 0.822 178 P CB 0.290 31.608 31.700 -0.636 0.000 0.784 179 N N -1.554 117.086 118.700 -0.100 0.000 2.336 179 N HA -0.004 4.736 4.740 -0.000 0.000 0.189 179 N C 0.168 175.649 175.510 -0.049 0.000 1.113 179 N CA 0.075 53.095 53.050 -0.049 0.000 0.858 179 N CB -0.096 38.386 38.487 -0.010 0.000 0.970 179 N HN 0.058 nan 8.380 nan 0.000 0.471 180 L N 2.564 123.756 121.223 -0.052 0.000 2.379 180 L HA 0.491 4.831 4.340 -0.000 0.000 0.269 180 L C -2.023 174.788 176.870 -0.099 0.000 1.084 180 L CA -2.479 52.328 54.840 -0.055 0.000 0.802 180 L CB 0.858 42.905 42.059 -0.020 0.000 1.175 180 L HN -0.003 nan 8.230 nan 0.000 0.448 181 P HA 0.056 nan 4.420 nan 0.000 0.267 181 P C -0.893 176.238 177.300 -0.282 0.000 1.200 181 P CA -0.238 62.749 63.100 -0.189 0.000 0.772 181 P CB 0.339 31.925 31.700 -0.190 0.000 0.855 182 S N 1.875 117.456 115.700 -0.199 0.000 2.554 182 S HA 0.408 4.878 4.470 -0.000 0.000 0.278 182 S C -0.618 173.888 174.600 -0.157 0.000 1.242 182 S CA -0.567 57.561 58.200 -0.119 0.000 1.051 182 S CB 0.120 63.364 63.200 0.074 0.000 0.986 182 S HN 0.258 nan 8.310 nan 0.000 0.502 183 Y N 1.005 121.355 120.300 0.082 0.000 2.316 183 Y HA 0.415 4.965 4.550 0.000 0.000 0.331 183 Y C 0.991 176.901 175.900 0.016 0.000 1.083 183 Y CA -0.765 57.374 58.100 0.065 0.000 1.206 183 Y CB 0.731 39.215 38.460 0.039 0.000 1.195 183 Y HN 0.689 nan 8.280 nan 0.000 0.497 184 R N 3.466 124.017 120.500 0.086 0.000 2.347 184 R HA 0.181 4.521 4.340 -0.000 0.000 0.304 184 R C 0.180 176.288 176.300 -0.321 0.000 1.072 184 R CA -0.000 55.857 56.100 -0.404 0.000 0.980 184 R CB 0.237 30.126 30.300 -0.685 0.000 0.986 184 R HN 0.756 nan 8.270 nan 0.000 0.448 185 I N 2.052 122.312 120.570 -0.516 0.000 2.729 185 I HA 0.009 4.179 4.170 -0.000 0.000 0.256 185 I C 1.027 176.966 176.117 -0.297 0.000 1.115 185 I CA 0.846 61.955 61.300 -0.318 0.000 1.446 185 I CB -0.883 36.892 38.000 -0.375 0.000 1.176 185 I HN 0.634 nan 8.210 nan 0.000 0.446 186 T N -3.365 110.883 114.554 -0.509 0.000 2.912 186 T HA 0.406 4.756 4.350 -0.000 0.000 0.288 186 T C -0.535 173.913 174.700 -0.420 0.000 1.030 186 T CA -0.479 61.426 62.100 -0.325 0.000 1.020 186 T CB 2.033 70.686 68.868 -0.358 0.000 1.056 186 T HN 0.209 nan 8.240 nan 0.000 0.480 187 W N 0.119 121.303 121.300 -0.193 0.000 2.534 187 W HA 0.235 4.895 4.660 -0.000 0.000 0.339 187 W C 1.841 178.298 176.519 -0.104 0.000 0.961 187 W CA -0.163 57.103 57.345 -0.133 0.000 1.545 187 W CB 0.205 29.611 29.460 -0.091 0.000 1.104 187 W HN 0.916 nan 8.180 nan 0.000 0.538 188 T N -2.940 111.648 114.554 0.058 0.000 3.040 188 T HA 0.287 4.637 4.350 -0.000 0.000 0.250 188 T C 1.224 175.914 174.700 -0.017 0.000 1.058 188 T CA 0.157 62.276 62.100 0.032 0.000 0.988 188 T CB -0.078 68.809 68.868 0.032 0.000 0.993 188 T HN -0.009 nan 8.240 nan 0.000 0.519 189 G N 1.352 110.109 108.800 -0.072 0.000 2.272 189 G HA2 0.382 4.342 3.960 -0.000 0.000 0.247 189 G HA3 0.382 4.342 3.960 -0.000 0.000 0.247 189 G C -0.627 174.201 174.900 -0.120 0.000 1.272 189 G CA -0.314 44.718 45.100 -0.113 0.000 0.921 189 G HN 0.435 nan 8.290 nan 0.000 0.495 190 K N 1.968 122.284 120.400 -0.141 0.000 2.535 190 K HA 0.151 4.471 4.320 -0.000 0.000 0.251 190 K C -0.230 176.246 176.600 -0.207 0.000 0.942 190 K CA -0.671 55.532 56.287 -0.140 0.000 0.798 190 K CB 2.085 34.540 32.500 -0.076 0.000 1.267 190 K HN 0.664 nan 8.250 nan 0.000 0.434 191 E N 2.226 122.310 120.200 -0.193 0.000 2.708 191 E HA -0.170 4.180 4.350 -0.000 0.000 0.260 191 E C -0.492 176.017 176.600 -0.152 0.000 0.937 191 E CA 1.038 57.322 56.400 -0.193 0.000 0.953 191 E CB 0.261 29.888 29.700 -0.122 0.000 0.915 191 E HN 0.581 nan 8.360 nan 0.000 0.487 192 D N 1.868 122.168 120.400 -0.166 0.000 3.006 192 D HA -0.259 4.381 4.640 -0.000 0.000 0.208 192 D C 0.588 176.950 176.300 0.103 0.000 1.116 192 D CA 1.686 55.720 54.000 0.056 0.000 0.998 192 D CB -0.801 40.061 40.800 0.103 0.000 1.124 192 D HN 0.482 nan 8.370 nan 0.000 0.413 193 I N -1.000 119.537 120.570 -0.055 0.000 3.623 193 I HA 0.071 4.241 4.170 -0.000 0.000 0.253 193 I C 0.513 176.696 176.117 0.110 0.000 1.144 193 I CA -0.065 61.277 61.300 0.070 0.000 1.461 193 I CB 0.556 38.576 38.000 0.033 0.000 1.575 193 I HN -0.174 nan 8.210 nan 0.000 0.445 194 I N 1.155 121.704 120.570 -0.035 0.000 2.378 194 I HA 0.256 4.426 4.170 -0.000 0.000 0.291 194 I C -1.429 174.654 176.117 -0.056 0.000 0.992 194 I CA -0.441 60.897 61.300 0.062 0.000 1.154 194 I CB 0.791 38.817 38.000 0.044 0.000 1.315 194 I HN 0.088 nan 8.210 nan 0.000 0.448 195 Y N 4.429 124.824 120.300 0.158 0.000 2.447 195 Y HA 0.363 4.913 4.550 -0.000 0.000 0.325 195 Y C 0.227 176.211 175.900 0.139 0.000 0.976 195 Y CA -0.781 57.420 58.100 0.168 0.000 1.280 195 Y CB 0.913 39.552 38.460 0.298 0.000 1.104 195 Y HN 0.428 nan 8.280 nan 0.000 0.486 196 N N 2.085 120.853 118.700 0.113 0.000 2.422 196 N HA 0.331 5.071 4.740 -0.000 0.000 0.266 196 N C 1.015 176.476 175.510 -0.081 0.000 1.007 196 N CA 0.654 53.699 53.050 -0.008 0.000 0.941 196 N CB 1.803 40.178 38.487 -0.187 0.000 1.115 196 N HN 0.970 nan 8.380 nan 0.000 0.492 197 G N 1.429 110.204 108.800 -0.042 0.000 2.184 197 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.264 197 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.264 197 G C 0.074 174.859 174.900 -0.192 0.000 0.975 197 G CA 0.790 45.806 45.100 -0.139 0.000 0.642 197 G HN 0.664 nan 8.290 nan 0.000 0.536 198 I N -1.526 118.992 120.570 -0.088 0.000 2.828 198 I HA 0.762 4.932 4.170 -0.000 0.000 0.302 198 I C 0.353 176.479 176.117 0.015 0.000 1.101 198 I CA -0.713 60.428 61.300 -0.265 0.000 1.031 198 I CB 1.973 39.630 38.000 -0.571 0.000 1.231 198 I HN 0.172 nan 8.210 nan 0.000 0.427 199 T N -0.165 114.319 114.554 -0.116 0.000 2.913 199 T HA 0.329 4.679 4.350 -0.000 0.000 0.297 199 T C -0.064 174.474 174.700 -0.269 0.000 1.029 199 T CA -0.635 61.286 62.100 -0.297 0.000 1.104 199 T CB 0.914 69.720 68.868 -0.103 0.000 0.964 199 T HN 0.781 nan 8.240 nan 0.000 0.532 200 D N 1.315 121.288 120.400 -0.712 0.000 2.425 200 D HA 0.017 4.657 4.640 -0.000 0.000 0.274 200 D C 1.045 177.273 176.300 -0.120 0.000 1.242 200 D CA -0.964 52.634 54.000 -0.669 0.000 1.060 200 D CB -0.005 40.266 40.800 -0.881 0.000 1.112 200 D HN 0.684 nan 8.370 nan 0.000 0.561 201 W N -0.104 121.134 121.300 -0.103 0.000 2.329 201 W HA -0.232 4.428 4.660 -0.000 0.000 0.324 201 W C 2.348 178.766 176.519 -0.167 0.000 1.222 201 W CA 3.130 60.418 57.345 -0.096 0.000 1.270 201 W CB -0.604 28.752 29.460 -0.173 0.000 1.167 201 W HN 0.210 nan 8.180 nan 0.000 0.467 202 V N -1.550 118.450 119.914 0.143 0.000 2.287 202 V HA -0.360 3.760 4.120 -0.000 0.000 0.248 202 V C 1.846 177.775 176.094 -0.276 0.000 1.053 202 V CA 1.966 64.223 62.300 -0.071 0.000 1.027 202 V CB -1.878 29.858 31.823 -0.146 0.000 0.646 202 V HN 0.312 nan 8.190 nan 0.000 0.447 203 Y N 1.152 121.300 120.300 -0.253 0.000 2.224 203 Y HA -0.193 4.357 4.550 -0.000 0.000 0.289 203 Y C 2.895 178.694 175.900 -0.169 0.000 1.146 203 Y CA 2.288 60.238 58.100 -0.250 0.000 1.182 203 Y CB -0.187 38.041 38.460 -0.386 0.000 0.983 203 Y HN 0.352 nan 8.280 nan 0.000 0.524 204 E N 0.214 120.379 120.200 -0.059 0.000 2.051 204 E HA -0.290 4.060 4.350 -0.000 0.000 0.192 204 E C 2.022 178.562 176.600 -0.101 0.000 0.991 204 E CA 1.549 57.925 56.400 -0.040 0.000 0.799 204 E CB 0.003 29.672 29.700 -0.051 0.000 0.748 204 E HN 0.448 nan 8.360 nan 0.000 0.449 205 E N 0.178 120.148 120.200 -0.383 0.000 2.033 205 E HA -0.149 4.201 4.350 -0.000 0.000 0.189 205 E C 1.849 178.340 176.600 -0.181 0.000 0.979 205 E CA 1.539 57.708 56.400 -0.385 0.000 0.802 205 E CB 0.116 29.290 29.700 -0.875 0.000 0.763 205 E HN 0.192 nan 8.360 nan 0.000 0.449 206 E N -0.444 119.626 120.200 -0.217 0.000 2.251 206 E HA 0.043 4.393 4.350 -0.000 0.000 0.194 206 E C 2.079 178.556 176.600 -0.206 0.000 0.964 206 E CA 0.626 56.940 56.400 -0.144 0.000 0.868 206 E CB 0.344 29.962 29.700 -0.136 0.000 0.828 206 E HN 0.211 nan 8.360 nan 0.000 0.481 207 V N 0.138 119.862 119.914 -0.318 0.000 2.423 207 V HA -0.024 4.096 4.120 -0.000 0.000 0.233 207 V C 1.819 177.701 176.094 -0.354 0.000 1.067 207 V CA 1.049 63.074 62.300 -0.459 0.000 1.073 207 V CB -0.569 30.801 31.823 -0.755 0.000 0.715 207 V HN 0.021 nan 8.190 nan 0.000 0.485 208 F N 0.879 120.847 119.950 0.029 0.000 2.664 208 F HA 0.194 4.721 4.527 -0.000 0.000 0.296 208 F C 1.634 177.387 175.800 -0.078 0.000 1.125 208 F CA 0.338 58.360 58.000 0.037 0.000 1.444 208 F CB -0.715 38.351 39.000 0.109 0.000 1.114 208 F HN 0.133 nan 8.300 nan 0.000 0.576 209 S N 0.102 115.797 115.700 -0.008 0.000 3.521 209 S HA -0.033 4.437 4.470 -0.000 0.000 0.362 209 S C 0.146 174.291 174.600 -0.759 0.000 1.044 209 S CA 0.365 58.393 58.200 -0.286 0.000 1.091 209 S CB -1.968 61.147 63.200 -0.141 0.000 0.908 209 S HN 0.643 nan 8.310 nan 0.000 0.473 210 A N -0.591 122.012 122.820 -0.361 0.000 2.606 210 A HA 0.750 5.070 4.320 -0.000 0.000 0.293 210 A C -0.119 177.404 177.584 -0.101 0.000 1.082 210 A CA -0.566 51.286 52.037 -0.309 0.000 0.685 210 A CB 0.435 19.277 19.000 -0.262 0.000 1.284 210 A HN 0.247 nan 8.150 nan 0.000 0.408 211 Y N 1.328 121.424 120.300 -0.339 0.000 2.314 211 Y HA 0.149 4.699 4.550 -0.000 0.000 0.294 211 Y C 1.636 177.219 175.900 -0.530 0.000 1.119 211 Y CA 1.121 59.022 58.100 -0.332 0.000 1.179 211 Y CB -0.168 38.112 38.460 -0.299 0.000 1.025 211 Y HN 0.623 nan 8.280 nan 0.000 0.541 212 S N 0.541 115.677 115.700 -0.939 0.000 2.563 212 S HA 0.306 4.776 4.470 -0.000 0.000 0.294 212 S C 0.426 174.515 174.600 -0.852 0.000 1.279 212 S CA 0.322 57.828 58.200 -1.157 0.000 1.069 212 S CB 0.142 62.545 63.200 -1.328 0.000 0.828 212 S HN 0.441 nan 8.310 nan 0.000 0.497 213 A N 5.430 127.775 122.820 -0.792 0.000 2.812 213 A HA 0.513 4.833 4.320 -0.000 0.000 0.294 213 A C -0.770 176.179 177.584 -1.060 0.000 1.014 213 A CA -0.390 51.077 52.037 -0.950 0.000 1.024 213 A CB 0.058 18.959 19.000 -0.165 0.000 1.162 213 A HN 0.577 nan 8.150 nan 0.000 0.511 214 L N 0.445 120.984 121.223 -1.139 0.000 2.362 214 L HA 0.644 4.984 4.340 -0.000 0.000 0.275 214 L C -1.320 175.151 176.870 -0.664 0.000 0.998 214 L CA -0.651 53.826 54.840 -0.606 0.000 0.820 214 L CB 1.071 42.977 42.059 -0.254 0.000 1.270 214 L HN 0.414 nan 8.230 nan 0.000 0.415 215 W N 4.335 125.668 121.300 0.055 0.000 2.591 215 W HA 0.192 4.852 4.660 0.000 0.000 0.311 215 W C -0.896 175.773 176.519 0.251 0.000 1.003 215 W CA -1.156 56.325 57.345 0.226 0.000 1.332 215 W CB 1.129 30.792 29.460 0.337 0.000 1.272 215 W HN 0.528 nan 8.180 nan 0.000 0.412 216 W N 1.910 123.393 121.300 0.305 0.000 2.216 216 W HA 0.185 4.845 4.660 -0.000 0.000 0.326 216 W C 1.271 177.612 176.519 -0.297 0.000 1.319 216 W CA 0.551 57.940 57.345 0.074 0.000 1.213 216 W CB 0.864 30.361 29.460 0.063 0.000 1.171 216 W HN 0.079 nan 8.180 nan 0.000 0.557 217 S N 3.694 119.205 115.700 -0.316 0.000 2.568 217 S HA 0.011 4.481 4.470 -0.000 0.000 0.282 217 S C -1.210 173.198 174.600 -0.321 0.000 1.338 217 S CA -0.848 56.758 58.200 -0.990 0.000 1.045 217 S CB 0.713 63.553 63.200 -0.599 0.000 0.873 217 S HN 0.239 nan 8.310 nan 0.000 0.516 218 P HA -0.074 nan 4.420 nan 0.000 0.218 218 P C 1.300 178.578 177.300 -0.037 0.000 1.149 218 P CA 0.688 63.762 63.100 -0.042 0.000 0.817 218 P CB 0.043 31.765 31.700 0.036 0.000 0.785 219 N N -0.636 118.035 118.700 -0.049 0.000 2.188 219 N HA -0.102 4.638 4.740 -0.000 0.000 0.184 219 N C 1.435 176.900 175.510 -0.075 0.000 1.018 219 N CA 1.827 54.854 53.050 -0.038 0.000 0.858 219 N CB -0.459 38.019 38.487 -0.015 0.000 0.989 219 N HN 0.159 nan 8.380 nan 0.000 0.426 220 G N -1.396 107.366 108.800 -0.064 0.000 2.157 220 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.239 220 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.239 220 G C 0.948 175.875 174.900 0.046 0.000 0.982 220 G CA 0.905 45.953 45.100 -0.088 0.000 0.650 220 G HN 0.410 nan 8.290 nan 0.000 0.527 221 T N -0.004 114.537 114.554 -0.022 0.000 2.770 221 T HA 0.304 4.654 4.350 -0.000 0.000 0.258 221 T C 0.828 175.383 174.700 -0.242 0.000 1.039 221 T CA 1.044 63.023 62.100 -0.203 0.000 1.143 221 T CB -0.007 68.631 68.868 -0.384 0.000 0.866 221 T HN 0.257 nan 8.240 nan 0.000 0.428 222 F N 0.482 120.471 119.950 0.065 0.000 2.425 222 F HA 0.585 5.112 4.527 -0.000 0.000 0.331 222 F C -0.076 175.754 175.800 0.051 0.000 1.085 222 F CA -1.306 56.749 58.000 0.092 0.000 1.028 222 F CB 1.073 40.188 39.000 0.192 0.000 1.177 222 F HN -0.069 nan 8.300 nan 0.000 0.487 223 L N 2.671 123.995 121.223 0.168 0.000 2.342 223 L HA 0.682 5.022 4.340 -0.000 0.000 0.276 223 L C -0.814 176.111 176.870 0.092 0.000 0.997 223 L CA -0.646 54.099 54.840 -0.157 0.000 0.838 223 L CB 1.091 42.813 42.059 -0.561 0.000 1.224 223 L HN 0.783 nan 8.230 nan 0.000 0.416 224 A N 4.831 127.783 122.820 0.220 0.000 2.301 224 A HA 0.666 4.986 4.320 -0.000 0.000 0.312 224 A C -1.241 176.423 177.584 0.133 0.000 1.182 224 A CA -0.281 51.786 52.037 0.049 0.000 0.826 224 A CB 0.624 19.772 19.000 0.247 0.000 1.134 224 A HN 0.689 nan 8.150 nan 0.000 0.501 225 Y N -0.785 119.360 120.300 -0.259 0.000 2.609 225 Y HA 0.818 5.368 4.550 0.000 0.000 0.342 225 Y C -0.099 175.743 175.900 -0.097 0.000 1.058 225 Y CA -1.026 57.026 58.100 -0.079 0.000 1.055 225 Y CB 1.045 39.411 38.460 -0.157 0.000 1.292 225 Y HN 0.829 nan 8.280 nan 0.000 0.476 226 A N 1.741 124.735 122.820 0.289 0.000 2.299 226 A HA 0.704 5.024 4.320 -0.000 0.000 0.332 226 A C -1.160 176.361 177.584 -0.105 0.000 1.131 226 A CA -0.848 51.217 52.037 0.046 0.000 0.844 226 A CB 1.707 20.695 19.000 -0.019 0.000 1.251 226 A HN 0.840 nan 8.150 nan 0.000 0.486 227 Q N 0.372 119.964 119.800 -0.347 0.000 2.305 227 Q HA 0.618 4.958 4.340 -0.000 0.000 0.271 227 Q C -2.189 173.526 176.000 -0.476 0.000 1.046 227 Q CA -0.388 55.281 55.803 -0.223 0.000 0.798 227 Q CB 1.321 30.165 28.738 0.177 0.000 1.286 227 Q HN 0.587 nan 8.270 nan 0.000 0.435 228 F N 2.147 122.204 119.950 0.179 0.000 2.495 228 F HA 0.441 4.968 4.527 -0.000 0.000 0.327 228 F C 0.248 176.198 175.800 0.250 0.000 1.103 228 F CA -0.951 57.140 58.000 0.152 0.000 0.949 228 F CB 1.597 40.615 39.000 0.029 0.000 1.142 228 F HN 0.430 nan 8.300 nan 0.000 0.457 229 N N 1.913 120.833 118.700 0.367 0.000 2.564 229 N HA 0.227 4.967 4.740 -0.000 0.000 0.248 229 N C -0.914 174.764 175.510 0.280 0.000 0.986 229 N CA -0.337 52.885 53.050 0.287 0.000 0.921 229 N CB 0.877 39.481 38.487 0.195 0.000 1.136 229 N HN 0.559 nan 8.380 nan 0.000 0.509 230 D N 1.224 121.813 120.400 0.315 0.000 2.388 230 D HA 0.122 4.762 4.640 -0.000 0.000 0.221 230 D C 1.220 177.639 176.300 0.198 0.000 1.133 230 D CA 0.130 54.294 54.000 0.272 0.000 0.831 230 D CB 0.542 41.557 40.800 0.358 0.000 0.962 230 D HN 0.442 nan 8.370 nan 0.000 0.502 231 T N 0.500 115.152 114.554 0.163 0.000 2.649 231 T HA -0.208 4.142 4.350 -0.000 0.000 0.268 231 T C 1.341 176.100 174.700 0.099 0.000 1.036 231 T CA 1.276 63.446 62.100 0.116 0.000 1.157 231 T CB -0.013 68.913 68.868 0.096 0.000 0.861 231 T HN 0.329 nan 8.240 nan 0.000 0.445 232 E N 0.479 120.740 120.200 0.101 0.000 2.476 232 E HA 0.161 4.511 4.350 -0.000 0.000 0.196 232 E C -0.198 176.454 176.600 0.087 0.000 1.029 232 E CA -0.072 56.377 56.400 0.082 0.000 0.896 232 E CB 0.465 30.209 29.700 0.072 0.000 1.012 232 E HN 0.268 nan 8.360 nan 0.000 0.475 233 V N 4.102 124.081 119.914 0.108 0.000 2.455 233 V HA 0.110 4.230 4.120 -0.000 0.000 0.273 233 V C -2.046 174.106 176.094 0.097 0.000 1.045 233 V CA -1.503 60.862 62.300 0.110 0.000 0.976 233 V CB 0.486 32.391 31.823 0.135 0.000 0.993 233 V HN 0.013 nan 8.190 nan 0.000 0.475 234 P HA 0.156 nan 4.420 nan 0.000 0.267 234 P C -0.670 176.668 177.300 0.063 0.000 1.200 234 P CA -0.048 63.091 63.100 0.065 0.000 0.772 234 P CB 0.432 32.170 31.700 0.064 0.000 0.855 235 L N 3.348 124.589 121.223 0.031 0.000 2.275 235 L HA 0.407 4.747 4.340 -0.000 0.000 0.288 235 L C 0.562 177.397 176.870 -0.057 0.000 1.046 235 L CA -0.959 53.885 54.840 0.005 0.000 0.805 235 L CB 0.512 42.570 42.059 -0.000 0.000 1.193 235 L HN 0.323 nan 8.230 nan 0.000 0.426 236 I N -0.018 120.480 120.570 -0.119 0.000 2.395 236 I HA 0.382 4.552 4.170 -0.000 0.000 0.289 236 I C -0.386 175.608 176.117 -0.206 0.000 1.023 236 I CA 0.015 61.162 61.300 -0.255 0.000 1.350 236 I CB 0.671 38.305 38.000 -0.610 0.000 1.409 236 I HN 0.539 nan 8.210 nan 0.000 0.507 237 E N 6.208 126.302 120.200 -0.176 0.000 2.222 237 E HA 0.592 4.942 4.350 -0.000 0.000 0.267 237 E C -1.601 174.938 176.600 -0.102 0.000 0.884 237 E CA -0.793 55.492 56.400 -0.191 0.000 0.764 237 E CB 1.905 31.520 29.700 -0.143 0.000 1.169 237 E HN 0.720 nan 8.360 nan 0.000 0.413 238 Y N -1.704 118.510 120.300 -0.144 0.000 2.597 238 Y HA 0.542 5.092 4.550 -0.000 0.000 0.340 238 Y C -0.534 175.290 175.900 -0.126 0.000 1.097 238 Y CA -1.349 56.667 58.100 -0.139 0.000 1.037 238 Y CB 0.887 39.268 38.460 -0.132 0.000 1.305 238 Y HN 0.230 nan 8.280 nan 0.000 0.463 239 S N 1.865 117.529 115.700 -0.058 0.000 2.564 239 S HA 0.390 4.860 4.470 -0.000 0.000 0.278 239 S C -1.317 173.099 174.600 -0.307 0.000 1.333 239 S CA -0.282 57.746 58.200 -0.286 0.000 1.048 239 S CB 0.145 63.041 63.200 -0.507 0.000 0.900 239 S HN 0.531 nan 8.310 nan 0.000 0.505 240 F N 2.646 122.325 119.950 -0.451 0.000 2.460 240 F HA 0.408 4.935 4.527 -0.000 0.000 0.341 240 F C -0.218 175.379 175.800 -0.338 0.000 1.130 240 F CA -0.767 57.046 58.000 -0.311 0.000 0.962 240 F CB 0.727 39.672 39.000 -0.091 0.000 1.171 240 F HN 0.644 nan 8.300 nan 0.000 0.436 241 Y N 2.473 122.619 120.300 -0.257 0.000 2.365 241 Y HA 0.090 4.640 4.550 -0.000 0.000 0.293 241 Y C 1.736 177.621 175.900 -0.026 0.000 1.119 241 Y CA 1.061 59.089 58.100 -0.119 0.000 1.203 241 Y CB -0.761 37.601 38.460 -0.163 0.000 1.026 241 Y HN 0.704 nan 8.280 nan 0.000 0.549 242 S N -0.369 115.370 115.700 0.066 0.000 3.381 242 S HA -0.221 4.249 4.470 -0.000 0.000 0.636 242 S C -0.495 174.183 174.600 0.130 0.000 2.614 242 S CA 0.206 58.537 58.200 0.217 0.000 2.810 242 S CB -1.078 62.304 63.200 0.304 0.000 0.331 242 S HN 0.485 nan 8.310 nan 0.000 1.788 243 D N 1.938 122.415 120.400 0.129 0.000 2.419 243 D HA 0.097 4.737 4.640 -0.000 0.000 0.236 243 D C 1.494 177.833 176.300 0.066 0.000 1.165 243 D CA 0.653 54.703 54.000 0.085 0.000 0.882 243 D CB 0.204 41.050 40.800 0.076 0.000 1.201 243 D HN 0.731 nan 8.370 nan 0.000 0.443 244 E N -0.050 120.175 120.200 0.042 0.000 2.396 244 E HA -0.214 4.136 4.350 -0.000 0.000 0.200 244 E C 1.306 177.921 176.600 0.026 0.000 1.023 244 E CA 1.164 57.579 56.400 0.025 0.000 0.857 244 E CB 0.037 29.743 29.700 0.009 0.000 0.775 244 E HN 0.312 nan 8.360 nan 0.000 0.525 245 S N 0.249 115.971 115.700 0.036 0.000 2.489 245 S HA -0.014 4.456 4.470 -0.000 0.000 0.228 245 S C 1.039 175.665 174.600 0.043 0.000 0.995 245 S CA -0.305 57.915 58.200 0.034 0.000 0.934 245 S CB -0.244 62.978 63.200 0.036 0.000 0.771 245 S HN 0.336 nan 8.310 nan 0.000 0.522 246 L N 2.438 123.697 121.223 0.059 0.000 2.369 246 L HA 0.188 4.528 4.340 -0.000 0.000 0.279 246 L C 1.533 178.434 176.870 0.052 0.000 1.108 246 L CA -0.076 54.809 54.840 0.075 0.000 0.852 246 L CB 1.094 43.216 42.059 0.105 0.000 1.169 246 L HN 0.477 nan 8.230 nan 0.000 0.452 247 Q N 4.112 123.941 119.800 0.049 0.000 2.020 247 Q HA -0.107 4.233 4.340 -0.000 0.000 0.198 247 Q C -0.481 175.432 176.000 -0.144 0.000 0.974 247 Q CA 1.343 57.122 55.803 -0.042 0.000 0.829 247 Q CB 0.154 28.889 28.738 -0.006 0.000 0.894 247 Q HN 0.578 nan 8.270 nan 0.000 0.433 248 Y N 1.192 121.510 120.300 0.030 0.000 2.335 248 Y HA 0.345 4.895 4.550 -0.000 0.000 0.339 248 Y C -1.979 173.940 175.900 0.033 0.000 0.987 248 Y CA -2.798 55.318 58.100 0.026 0.000 1.140 248 Y CB 1.110 39.576 38.460 0.011 0.000 1.173 248 Y HN 0.220 nan 8.280 nan 0.000 0.486 249 P HA -0.006 nan 4.420 nan 0.000 0.266 249 P C -0.664 176.664 177.300 0.047 0.000 1.195 249 P CA -0.307 62.839 63.100 0.077 0.000 0.768 249 P CB 0.665 32.376 31.700 0.018 0.000 0.838 250 K N 1.415 121.831 120.400 0.027 0.000 2.174 250 K HA 0.314 4.634 4.320 -0.000 0.000 0.275 250 K C -0.575 175.991 176.600 -0.056 0.000 1.015 250 K CA -0.327 55.965 56.287 0.008 0.000 0.933 250 K CB 0.474 32.996 32.500 0.038 0.000 1.025 250 K HN 0.361 nan 8.250 nan 0.000 0.463 251 T N 3.029 117.531 114.554 -0.087 0.000 2.744 251 T HA 0.221 4.571 4.350 -0.000 0.000 0.291 251 T C -0.485 174.094 174.700 -0.202 0.000 0.957 251 T CA -0.674 61.337 62.100 -0.148 0.000 1.002 251 T CB 1.043 69.839 68.868 -0.121 0.000 0.919 251 T HN 0.241 nan 8.240 nan 0.000 0.468 252 V N 5.224 124.924 119.914 -0.357 0.000 2.465 252 V HA 0.428 4.548 4.120 -0.000 0.000 0.279 252 V C 0.403 176.238 176.094 -0.432 0.000 1.045 252 V CA -0.599 61.443 62.300 -0.431 0.000 0.938 252 V CB 0.962 32.397 31.823 -0.647 0.000 0.986 252 V HN 0.719 nan 8.190 nan 0.000 0.467 253 R N 3.417 123.794 120.500 -0.204 0.000 2.409 253 R HA 0.698 5.038 4.340 -0.000 0.000 0.313 253 R C -1.524 174.774 176.300 -0.002 0.000 0.953 253 R CA -0.469 55.558 56.100 -0.122 0.000 0.849 253 R CB 2.114 32.370 30.300 -0.074 0.000 1.171 253 R HN 0.547 nan 8.270 nan 0.000 0.458 254 V N 4.380 124.294 119.914 -0.001 0.000 2.487 254 V HA 0.368 4.488 4.120 -0.000 0.000 0.298 254 V C -2.322 173.825 176.094 0.088 0.000 1.028 254 V CA -2.562 59.798 62.300 0.101 0.000 0.860 254 V CB 2.015 33.850 31.823 0.020 0.000 0.991 254 V HN 0.614 nan 8.190 nan 0.000 0.427 255 P HA 0.166 nan 4.420 nan 0.000 0.269 255 P C -1.295 176.100 177.300 0.158 0.000 1.252 255 P CA 0.293 63.495 63.100 0.170 0.000 0.780 255 P CB -0.210 31.632 31.700 0.237 0.000 0.829 256 Y N 6.563 126.833 120.300 -0.050 0.000 2.344 256 Y HA 0.360 4.910 4.550 0.000 0.000 0.328 256 Y C -2.707 173.155 175.900 -0.063 0.000 1.067 256 Y CA -2.987 55.026 58.100 -0.146 0.000 1.247 256 Y CB 1.616 39.873 38.460 -0.339 0.000 1.113 256 Y HN 0.278 nan 8.280 nan 0.000 0.465 257 P HA 0.245 nan 4.420 nan 0.000 0.282 257 P C -0.924 176.422 177.300 0.075 0.000 1.274 257 P CA -0.144 62.990 63.100 0.057 0.000 0.770 257 P CB 1.510 33.228 31.700 0.030 0.000 0.867 258 K N 1.939 122.454 120.400 0.192 0.000 2.109 258 K HA 0.569 4.889 4.320 -0.000 0.000 0.243 258 K C 0.286 176.990 176.600 0.173 0.000 1.006 258 K CA -0.805 55.621 56.287 0.233 0.000 0.917 258 K CB 0.674 33.336 32.500 0.271 0.000 1.081 258 K HN 0.428 nan 8.250 nan 0.000 0.468 259 A N 1.151 124.103 122.820 0.220 0.000 2.550 259 A HA 0.275 4.595 4.320 -0.000 0.000 0.263 259 A C 1.138 178.780 177.584 0.097 0.000 1.065 259 A CA 1.219 53.382 52.037 0.210 0.000 0.786 259 A CB -1.623 17.601 19.000 0.374 0.000 0.985 259 A HN 0.899 nan 8.150 nan 0.000 0.518 260 G N 1.014 109.855 108.800 0.067 0.000 2.213 260 G HA2 0.138 4.098 3.960 -0.000 0.000 0.236 260 G HA3 0.138 4.098 3.960 -0.000 0.000 0.236 260 G C 0.669 175.589 174.900 0.033 0.000 0.991 260 G CA 0.539 45.649 45.100 0.018 0.000 0.629 260 G HN 2.134 nan 8.290 nan 0.000 0.517 261 A N -0.067 122.789 122.820 0.060 0.000 2.280 261 A HA 0.734 5.054 4.320 -0.000 0.000 0.268 261 A C 0.959 178.579 177.584 0.060 0.000 1.111 261 A CA 0.391 52.465 52.037 0.062 0.000 0.814 261 A CB 0.458 19.507 19.000 0.082 0.000 1.093 261 A HN 1.252 nan 8.150 nan 0.000 0.498 262 V N 1.665 121.615 119.914 0.060 0.000 2.585 262 V HA 0.021 4.141 4.120 -0.000 0.000 0.296 262 V C 0.616 176.758 176.094 0.080 0.000 1.035 262 V CA 0.198 62.535 62.300 0.062 0.000 1.084 262 V CB -0.337 31.524 31.823 0.062 0.000 0.953 262 V HN 0.854 nan 8.190 nan 0.000 0.483 263 N N 4.906 123.654 118.700 0.081 0.000 2.482 263 N HA 0.446 5.186 4.740 -0.000 0.000 0.279 263 N C -2.528 173.071 175.510 0.148 0.000 1.182 263 N CA -1.405 51.716 53.050 0.117 0.000 0.969 263 N CB 1.286 39.843 38.487 0.116 0.000 1.201 263 N HN 0.475 nan 8.380 nan 0.000 0.523 264 P HA 0.012 nan 4.420 nan 0.000 0.269 264 P C -0.606 176.851 177.300 0.262 0.000 1.209 264 P CA -0.029 63.237 63.100 0.277 0.000 0.776 264 P CB 0.382 32.313 31.700 0.385 0.000 0.876 265 T N -0.971 113.713 114.554 0.217 0.000 2.934 265 T HA 0.552 4.902 4.350 -0.000 0.000 0.283 265 T C -0.155 174.657 174.700 0.187 0.000 1.005 265 T CA -0.803 61.384 62.100 0.144 0.000 1.041 265 T CB 1.470 70.394 68.868 0.095 0.000 1.042 265 T HN 0.293 nan 8.240 nan 0.000 0.505 266 V N 0.628 120.615 119.914 0.121 0.000 2.914 266 V HA 0.756 4.876 4.120 -0.000 0.000 0.314 266 V C -1.238 174.902 176.094 0.076 0.000 1.084 266 V CA -0.902 61.429 62.300 0.051 0.000 0.963 266 V CB 2.116 34.002 31.823 0.105 0.000 1.025 266 V HN 1.029 nan 8.190 nan 0.000 0.432 267 K N 3.795 124.180 120.400 -0.025 0.000 2.469 267 K HA 0.553 4.873 4.320 -0.000 0.000 0.254 267 K C -1.973 174.546 176.600 -0.134 0.000 0.939 267 K CA -0.481 55.774 56.287 -0.053 0.000 0.812 267 K CB 2.624 35.088 32.500 -0.060 0.000 1.301 267 K HN 0.529 nan 8.250 nan 0.000 0.433 268 F N 2.319 121.985 119.950 -0.474 0.000 2.495 268 F HA 0.581 5.108 4.527 -0.000 0.000 0.327 268 F C -1.358 173.914 175.800 -0.880 0.000 1.103 268 F CA -0.702 56.987 58.000 -0.519 0.000 0.949 268 F CB 0.819 39.622 39.000 -0.328 0.000 1.142 268 F HN 0.363 nan 8.300 nan 0.000 0.457 269 F N 3.579 122.832 119.950 -1.163 0.000 2.599 269 F HA 0.733 5.260 4.527 -0.000 0.000 0.311 269 F C -1.006 174.137 175.800 -1.095 0.000 1.076 269 F CA -1.161 56.247 58.000 -0.986 0.000 0.937 269 F CB 2.129 40.477 39.000 -1.086 0.000 1.282 269 F HN 0.104 nan 8.300 nan 0.000 0.460 270 V N 2.676 122.373 119.914 -0.362 0.000 2.577 270 V HA 0.557 4.677 4.120 -0.000 0.000 0.303 270 V C -0.864 175.336 176.094 0.177 0.000 1.042 270 V CA -0.831 61.368 62.300 -0.168 0.000 0.872 270 V CB 1.795 33.427 31.823 -0.318 0.000 0.998 270 V HN 0.530 nan 8.190 nan 0.000 0.423 271 V N 3.560 123.623 119.914 0.249 0.000 2.483 271 V HA 0.424 4.544 4.120 -0.000 0.000 0.295 271 V C 0.151 176.445 176.094 0.334 0.000 1.035 271 V CA -0.673 61.788 62.300 0.268 0.000 0.896 271 V CB 1.981 33.908 31.823 0.172 0.000 0.986 271 V HN 0.882 nan 8.190 nan 0.000 0.447 272 N N 2.792 121.635 118.700 0.239 0.000 2.415 272 N HA 0.116 4.856 4.740 -0.000 0.000 0.246 272 N C 0.995 176.468 175.510 -0.060 0.000 1.078 272 N CA -0.014 53.028 53.050 -0.013 0.000 0.942 272 N CB 1.623 40.098 38.487 -0.019 0.000 1.140 272 N HN 0.741 nan 8.380 nan 0.000 0.501 273 T N 0.939 115.447 114.554 -0.076 0.000 3.035 273 T HA -0.027 4.323 4.350 -0.000 0.000 0.268 273 T C 0.701 175.359 174.700 -0.069 0.000 1.109 273 T CA 0.698 62.788 62.100 -0.016 0.000 1.119 273 T CB 0.292 69.249 68.868 0.149 0.000 0.900 273 T HN 0.420 nan 8.240 nan 0.000 0.503 274 D N 1.512 121.843 120.400 -0.115 0.000 2.348 274 D HA 0.039 4.679 4.640 -0.000 0.000 0.211 274 D C 1.619 177.867 176.300 -0.088 0.000 0.998 274 D CA 0.480 54.421 54.000 -0.099 0.000 0.873 274 D CB 0.099 40.828 40.800 -0.119 0.000 0.925 274 D HN 0.524 nan 8.370 nan 0.000 0.524 275 S N -0.358 115.286 115.700 -0.093 0.000 2.601 275 S HA 0.239 4.709 4.470 -0.000 0.000 0.244 275 S C 0.595 175.135 174.600 -0.101 0.000 1.001 275 S CA -0.530 57.630 58.200 -0.067 0.000 0.984 275 S CB -0.190 62.995 63.200 -0.025 0.000 0.842 275 S HN 0.000 nan 8.310 nan 0.000 0.474 276 L N 2.369 123.471 121.223 -0.201 0.000 2.416 276 L HA 0.476 4.816 4.340 -0.000 0.000 0.272 276 L C 0.558 177.237 176.870 -0.317 0.000 1.161 276 L CA -0.176 54.448 54.840 -0.360 0.000 0.845 276 L CB 1.129 42.738 42.059 -0.750 0.000 1.119 276 L HN 0.306 nan 8.230 nan 0.000 0.464 277 S N 0.899 116.502 115.700 -0.162 0.000 2.566 277 S HA 0.316 4.786 4.470 -0.000 0.000 0.298 277 S C 0.786 175.509 174.600 0.206 0.000 1.083 277 S CA -0.604 57.611 58.200 0.024 0.000 0.978 277 S CB 2.015 65.237 63.200 0.037 0.000 1.073 277 S HN 0.590 nan 8.310 nan 0.000 0.491 278 S N 1.807 117.660 115.700 0.255 0.000 2.406 278 S HA -0.063 4.407 4.470 -0.000 0.000 0.228 278 S C 1.788 176.485 174.600 0.161 0.000 1.020 278 S CA 1.347 59.694 58.200 0.245 0.000 0.965 278 S CB -0.286 63.014 63.200 0.168 0.000 0.798 278 S HN 0.609 nan 8.310 nan 0.000 0.488 279 V N 1.234 121.218 119.914 0.117 0.000 2.323 279 V HA -0.020 4.100 4.120 -0.000 0.000 0.244 279 V C 1.102 177.243 176.094 0.078 0.000 1.041 279 V CA 1.167 63.517 62.300 0.082 0.000 1.025 279 V CB -1.135 30.724 31.823 0.059 0.000 0.656 279 V HN 0.463 nan 8.190 nan 0.000 0.451 280 T N -0.238 114.364 114.554 0.080 0.000 2.918 280 T HA 0.449 4.799 4.350 -0.000 0.000 0.286 280 T C -0.327 174.433 174.700 0.099 0.000 1.026 280 T CA -0.786 61.353 62.100 0.066 0.000 1.031 280 T CB 1.285 70.178 68.868 0.042 0.000 1.046 280 T HN 0.161 nan 8.240 nan 0.000 0.479 281 N N 0.944 119.699 118.700 0.090 0.000 2.381 281 N HA 0.397 5.137 4.740 -0.000 0.000 0.241 281 N C 0.175 175.746 175.510 0.101 0.000 1.279 281 N CA -0.322 52.812 53.050 0.141 0.000 0.896 281 N CB 0.077 38.626 38.487 0.103 0.000 1.118 281 N HN 0.946 nan 8.380 nan 0.000 0.438 282 A N 0.519 123.406 122.820 0.111 0.000 2.462 282 A HA 0.304 4.624 4.320 -0.000 0.000 0.243 282 A C -0.020 177.603 177.584 0.064 0.000 1.076 282 A CA -0.027 52.045 52.037 0.059 0.000 0.773 282 A CB -0.163 18.857 19.000 0.035 0.000 1.010 282 A HN 0.554 nan 8.150 nan 0.000 0.493 283 T N 2.754 117.348 114.554 0.066 0.000 2.770 283 T HA 0.427 4.777 4.350 -0.000 0.000 0.297 283 T C 0.138 174.907 174.700 0.116 0.000 0.997 283 T CA -0.253 61.895 62.100 0.081 0.000 0.949 283 T CB 0.681 69.599 68.868 0.084 0.000 0.941 283 T HN 0.555 nan 8.240 nan 0.000 0.457 284 S N 2.890 118.651 115.700 0.101 0.000 2.584 284 S HA 0.515 4.985 4.470 -0.000 0.000 0.273 284 S C 0.183 174.916 174.600 0.222 0.000 1.311 284 S CA -0.698 57.588 58.200 0.143 0.000 1.034 284 S CB 0.413 63.631 63.200 0.030 0.000 0.939 284 S HN 0.500 nan 8.310 nan 0.000 0.513 285 I N 2.046 122.781 120.570 0.275 0.000 2.412 285 I HA 0.314 4.484 4.170 -0.000 0.000 0.296 285 I C 0.290 176.542 176.117 0.225 0.000 0.987 285 I CA -0.191 61.281 61.300 0.286 0.000 1.180 285 I CB 1.459 39.688 38.000 0.382 0.000 1.340 285 I HN 0.542 nan 8.210 nan 0.000 0.455 286 Q N 5.458 125.353 119.800 0.157 0.000 2.243 286 Q HA 0.569 4.909 4.340 -0.000 0.000 0.252 286 Q C -1.118 174.808 176.000 -0.122 0.000 0.909 286 Q CA -0.571 55.135 55.803 -0.162 0.000 0.922 286 Q CB 1.198 29.818 28.738 -0.197 0.000 1.215 286 Q HN 0.556 nan 8.270 nan 0.000 0.427 287 I N 3.402 123.861 120.570 -0.184 0.000 2.307 287 I HA 0.184 4.354 4.170 -0.000 0.000 0.289 287 I C -0.120 175.969 176.117 -0.047 0.000 1.021 287 I CA -0.320 60.947 61.300 -0.055 0.000 1.224 287 I CB 1.713 39.715 38.000 0.002 0.000 1.376 287 I HN 0.553 nan 8.210 nan 0.000 0.470 288 T N 5.635 120.137 114.554 -0.088 0.000 2.907 288 T HA 0.386 4.736 4.350 -0.000 0.000 0.298 288 T C 0.522 175.042 174.700 -0.300 0.000 1.017 288 T CA -0.508 61.495 62.100 -0.161 0.000 1.118 288 T CB 1.091 69.874 68.868 -0.142 0.000 0.948 288 T HN 0.665 nan 8.240 nan 0.000 0.531 289 A N 4.679 127.123 122.820 -0.625 0.000 2.425 289 A HA 0.452 4.772 4.320 -0.000 0.000 0.242 289 A C -2.090 175.024 177.584 -0.784 0.000 1.077 289 A CA -1.209 50.038 52.037 -1.317 0.000 0.781 289 A CB -0.572 17.279 19.000 -1.915 0.000 1.020 289 A HN 0.536 nan 8.150 nan 0.000 0.494 290 P HA 0.142 nan 4.420 nan 0.000 0.268 290 P C 0.846 177.930 177.300 -0.360 0.000 1.208 290 P CA 0.713 63.570 63.100 -0.404 0.000 0.777 290 P CB 0.583 32.105 31.700 -0.297 0.000 0.875 291 A N 2.462 125.143 122.820 -0.232 0.000 1.986 291 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 291 A C 2.045 179.517 177.584 -0.186 0.000 1.171 291 A CA 2.354 54.276 52.037 -0.191 0.000 0.640 291 A CB -1.655 17.268 19.000 -0.129 0.000 0.811 291 A HN 0.624 nan 8.150 nan 0.000 0.451 292 S N -1.680 113.928 115.700 -0.153 0.000 2.515 292 S HA 0.021 4.491 4.470 -0.000 0.000 0.231 292 S C 1.643 176.146 174.600 -0.162 0.000 0.987 292 S CA 1.190 59.316 58.200 -0.122 0.000 0.936 292 S CB -0.190 63.008 63.200 -0.005 0.000 0.766 292 S HN 0.410 nan 8.310 nan 0.000 0.528 293 M N 0.469 119.902 119.600 -0.279 0.000 2.552 293 M HA 0.377 4.857 4.480 -0.000 0.000 0.264 293 M C 1.827 177.752 176.300 -0.625 0.000 1.159 293 M CA 0.583 55.624 55.300 -0.433 0.000 1.176 293 M CB -1.046 31.189 32.600 -0.608 0.000 1.327 293 M HN 0.318 nan 8.290 nan 0.000 0.481 294 L N 0.256 121.155 121.223 -0.541 0.000 2.549 294 L HA -0.087 4.253 4.340 -0.000 0.000 0.229 294 L C 2.220 178.984 176.870 -0.177 0.000 1.158 294 L CA 0.195 54.819 54.840 -0.362 0.000 0.842 294 L CB -0.256 41.637 42.059 -0.276 0.000 0.952 294 L HN 0.231 nan 8.230 nan 0.000 0.452 295 I N -0.576 119.893 120.570 -0.168 0.000 2.830 295 I HA -0.007 4.163 4.170 -0.000 0.000 0.263 295 I C 1.048 177.126 176.117 -0.065 0.000 1.230 295 I CA 0.922 62.158 61.300 -0.106 0.000 1.480 295 I CB -0.429 37.502 38.000 -0.115 0.000 1.095 295 I HN 0.241 nan 8.210 nan 0.000 0.455 296 G N -0.574 108.200 108.800 -0.044 0.000 2.731 296 G HA2 0.194 4.154 3.960 -0.000 0.000 0.309 296 G HA3 0.194 4.154 3.960 -0.000 0.000 0.309 296 G C -1.447 173.506 174.900 0.089 0.000 1.273 296 G CA -0.478 44.624 45.100 0.003 0.000 0.798 296 G HN -0.028 nan 8.290 nan 0.000 0.509 297 D N 0.891 121.315 120.400 0.040 0.000 2.389 297 D HA 0.490 5.130 4.640 -0.000 0.000 0.247 297 D C 0.217 176.502 176.300 -0.026 0.000 1.128 297 D CA 0.699 54.694 54.000 -0.008 0.000 0.884 297 D CB 0.849 41.600 40.800 -0.083 0.000 1.194 297 D HN 0.603 nan 8.370 nan 0.000 0.441 298 H N -1.145 117.784 119.070 -0.235 0.000 2.966 298 H HA 0.612 5.168 4.556 0.000 0.000 0.330 298 H C -1.460 173.699 175.328 -0.282 0.000 1.292 298 H CA -0.968 54.936 56.048 -0.240 0.000 1.127 298 H CB 0.653 30.418 29.762 0.006 0.000 1.863 298 H HN 0.228 nan 8.280 nan 0.000 0.543 299 Y N -0.329 120.161 120.300 0.316 0.000 2.570 299 Y HA 0.391 4.941 4.550 -0.000 0.000 0.345 299 Y C -0.661 175.455 175.900 0.359 0.000 1.014 299 Y CA -1.268 57.008 58.100 0.294 0.000 1.063 299 Y CB 1.987 40.501 38.460 0.089 0.000 1.272 299 Y HN 0.554 nan 8.280 nan 0.000 0.477 300 L N 2.697 124.179 121.223 0.431 0.000 2.265 300 L HA 0.262 4.602 4.340 -0.000 0.000 0.288 300 L C 0.331 177.216 176.870 0.025 0.000 1.058 300 L CA -0.295 54.490 54.840 -0.091 0.000 0.809 300 L CB 0.396 42.287 42.059 -0.280 0.000 1.179 300 L HN 1.115 nan 8.230 nan 0.000 0.429 301 C N 1.039 120.241 119.300 -0.163 0.000 3.097 301 C HA 0.403 4.863 4.460 -0.000 0.000 0.335 301 C C 0.438 175.317 174.990 -0.185 0.000 1.283 301 C CA -0.442 58.426 59.018 -0.250 0.000 1.778 301 C CB -0.097 27.554 27.740 -0.149 0.000 2.365 301 C HN 0.779 nan 8.230 nan 0.000 0.627 302 D N 0.094 120.399 120.400 -0.158 0.000 2.837 302 D HA 0.510 5.150 4.640 -0.000 0.000 0.220 302 D C -1.875 174.174 176.300 -0.418 0.000 1.236 302 D CA 0.116 54.038 54.000 -0.130 0.000 0.838 302 D CB 2.968 43.682 40.800 -0.144 0.000 1.647 302 D HN 0.070 nan 8.370 nan 0.000 0.486 303 V N 2.204 121.812 119.914 -0.510 0.000 2.569 303 V HA 0.511 4.631 4.120 -0.000 0.000 0.301 303 V C -0.567 175.178 176.094 -0.581 0.000 1.044 303 V CA -0.457 61.301 62.300 -0.902 0.000 0.874 303 V CB 1.981 32.695 31.823 -1.849 0.000 1.002 303 V HN 0.628 nan 8.190 nan 0.000 0.424 304 T N 3.505 117.781 114.554 -0.463 0.000 3.170 304 T HA 0.322 4.672 4.350 -0.000 0.000 0.315 304 T C -0.883 173.674 174.700 -0.239 0.000 0.967 304 T CA -0.463 61.518 62.100 -0.199 0.000 1.024 304 T CB 0.731 69.543 68.868 -0.093 0.000 1.018 304 T HN 0.518 nan 8.240 nan 0.000 0.449 305 W N 2.359 123.590 121.300 -0.115 0.000 2.251 305 W HA 0.449 5.109 4.660 -0.000 0.000 0.327 305 W C 1.194 177.587 176.519 -0.211 0.000 1.361 305 W CA -0.212 57.061 57.345 -0.119 0.000 1.234 305 W CB 0.513 29.987 29.460 0.023 0.000 1.212 305 W HN 0.853 nan 8.180 nan 0.000 0.557 306 A N 2.270 124.968 122.820 -0.203 0.000 1.887 306 A HA 0.173 4.493 4.320 -0.000 0.000 0.210 306 A C 0.998 178.504 177.584 -0.130 0.000 1.221 306 A CA 1.624 53.289 52.037 -0.620 0.000 0.635 306 A CB -0.395 17.808 19.000 -1.327 0.000 0.881 306 A HN 0.543 nan 8.150 nan 0.000 0.456 307 T N -5.334 109.252 114.554 0.053 0.000 2.618 307 T HA 0.315 4.665 4.350 -0.000 0.000 0.286 307 T C 0.204 175.073 174.700 0.281 0.000 1.027 307 T CA -0.195 61.998 62.100 0.155 0.000 1.063 307 T CB 0.542 69.486 68.868 0.127 0.000 1.440 307 T HN 0.052 nan 8.240 nan 0.000 0.505 308 Q N 0.360 120.297 119.800 0.228 0.000 2.291 308 Q HA 0.013 4.353 4.340 -0.000 0.000 0.205 308 Q C 0.764 177.007 176.000 0.405 0.000 0.970 308 Q CA 1.296 57.245 55.803 0.243 0.000 0.876 308 Q CB -0.025 28.815 28.738 0.170 0.000 0.935 308 Q HN 0.805 nan 8.270 nan 0.000 0.455 309 E N 0.215 120.651 120.200 0.392 0.000 2.812 309 E HA 0.239 4.589 4.350 -0.000 0.000 0.211 309 E C -0.230 176.635 176.600 0.441 0.000 0.986 309 E CA -0.177 56.457 56.400 0.390 0.000 1.119 309 E CB 0.947 30.803 29.700 0.261 0.000 1.046 309 E HN -0.009 nan 8.360 nan 0.000 0.474 310 R N 1.677 122.454 120.500 0.461 0.000 2.515 310 R HA 0.388 4.728 4.340 -0.000 0.000 0.291 310 R C -1.551 174.697 176.300 -0.088 0.000 1.046 310 R CA -0.527 55.690 56.100 0.195 0.000 0.914 310 R CB 0.931 31.250 30.300 0.033 0.000 1.191 310 R HN -0.019 nan 8.270 nan 0.000 0.435 311 I N 1.732 122.039 120.570 -0.438 0.000 2.530 311 I HA 0.458 4.628 4.170 -0.000 0.000 0.297 311 I C -0.061 175.720 176.117 -0.560 0.000 1.011 311 I CA -0.711 60.085 61.300 -0.840 0.000 1.107 311 I CB 2.189 39.362 38.000 -1.379 0.000 1.285 311 I HN 0.489 nan 8.210 nan 0.000 0.436 312 S N 6.219 121.600 115.700 -0.532 0.000 2.437 312 S HA 0.845 5.315 4.470 -0.000 0.000 0.305 312 S C -0.691 173.612 174.600 -0.495 0.000 1.109 312 S CA -0.727 57.239 58.200 -0.389 0.000 1.099 312 S CB 0.722 63.788 63.200 -0.224 0.000 1.004 312 S HN 0.572 nan 8.310 nan 0.000 0.475 313 L N 2.354 123.295 121.223 -0.469 0.000 2.322 313 L HA 0.618 4.958 4.340 -0.000 0.000 0.269 313 L C 0.033 176.655 176.870 -0.414 0.000 1.012 313 L CA -0.823 53.656 54.840 -0.602 0.000 0.815 313 L CB 1.720 43.325 42.059 -0.757 0.000 1.295 313 L HN 0.657 nan 8.230 nan 0.000 0.438 314 Q N 0.645 120.144 119.800 -0.502 0.000 2.323 314 Q HA 0.402 4.742 4.340 -0.000 0.000 0.271 314 Q C -1.846 173.942 176.000 -0.354 0.000 1.048 314 Q CA -0.594 55.040 55.803 -0.281 0.000 0.792 314 Q CB 2.587 31.202 28.738 -0.205 0.000 1.280 314 Q HN 0.402 nan 8.270 nan 0.000 0.441 315 W N 2.048 123.312 121.300 -0.058 0.000 2.647 315 W HA 0.691 5.351 4.660 -0.000 0.000 0.353 315 W C -0.871 175.689 176.519 0.069 0.000 1.080 315 W CA -0.655 56.709 57.345 0.031 0.000 1.208 315 W CB 1.024 30.500 29.460 0.027 0.000 1.396 315 W HN 0.372 nan 8.180 nan 0.000 0.573 316 L N 2.164 123.626 121.223 0.399 0.000 2.436 316 L HA 0.519 4.859 4.340 -0.000 0.000 0.268 316 L C -0.171 176.896 176.870 0.328 0.000 0.974 316 L CA -1.256 53.773 54.840 0.313 0.000 0.826 316 L CB 1.363 43.587 42.059 0.275 0.000 1.291 316 L HN 0.382 nan 8.230 nan 0.000 0.406 317 R N 2.713 123.369 120.500 0.259 0.000 2.694 317 R HA 0.206 4.546 4.340 -0.000 0.000 0.268 317 R C 1.039 177.413 176.300 0.124 0.000 1.061 317 R CA -0.269 55.932 56.100 0.170 0.000 1.133 317 R CB 0.598 30.988 30.300 0.150 0.000 1.020 317 R HN 0.663 nan 8.270 nan 0.000 0.475 318 R N 1.463 121.955 120.500 -0.014 0.000 2.096 318 R HA -0.080 4.260 4.340 -0.000 0.000 0.235 318 R C 0.335 176.695 176.300 0.100 0.000 1.127 318 R CA 1.209 57.288 56.100 -0.035 0.000 0.968 318 R CB -0.096 30.131 30.300 -0.123 0.000 0.861 318 R HN 0.451 nan 8.270 nan 0.000 0.440 319 I N 2.274 122.885 120.570 0.067 0.000 2.406 319 I HA 0.007 4.177 4.170 -0.000 0.000 0.293 319 I C 0.404 176.581 176.117 0.101 0.000 1.101 319 I CA 0.361 61.703 61.300 0.069 0.000 1.334 319 I CB 1.233 39.260 38.000 0.045 0.000 1.421 319 I HN 0.033 nan 8.210 nan 0.000 0.513 320 Q N 4.330 124.185 119.800 0.091 0.000 2.380 320 Q HA 0.054 4.394 4.340 -0.000 0.000 0.254 320 Q C 0.839 176.914 176.000 0.125 0.000 0.927 320 Q CA -0.091 55.779 55.803 0.111 0.000 0.950 320 Q CB -0.189 28.572 28.738 0.040 0.000 1.206 320 Q HN 0.538 nan 8.270 nan 0.000 0.414 321 N N -0.373 118.407 118.700 0.134 0.000 2.409 321 N HA -0.037 4.703 4.740 -0.000 0.000 0.174 321 N C -1.023 174.598 175.510 0.184 0.000 1.037 321 N CA 0.574 53.703 53.050 0.133 0.000 0.898 321 N CB 0.504 39.064 38.487 0.121 0.000 1.010 321 N HN 0.290 nan 8.380 nan 0.000 0.445 322 Y N 0.072 120.402 120.300 0.049 0.000 2.329 322 Y HA 0.449 4.999 4.550 -0.000 0.000 0.328 322 Y C -0.791 175.148 175.900 0.065 0.000 0.992 322 Y CA -0.873 57.254 58.100 0.045 0.000 1.151 322 Y CB 1.353 39.831 38.460 0.030 0.000 1.150 322 Y HN -0.272 nan 8.280 nan 0.000 0.450 323 S N 4.445 120.029 115.700 -0.193 0.000 2.536 323 S HA 0.883 5.353 4.470 -0.000 0.000 0.298 323 S C -1.836 172.644 174.600 -0.200 0.000 1.083 323 S CA -0.470 57.676 58.200 -0.090 0.000 0.995 323 S CB 1.171 64.348 63.200 -0.038 0.000 1.058 323 S HN 0.450 nan 8.310 nan 0.000 0.488 324 V N 5.231 125.126 119.914 -0.032 0.000 2.709 324 V HA 0.529 4.649 4.120 -0.000 0.000 0.308 324 V C -0.338 175.784 176.094 0.046 0.000 1.062 324 V CA -0.684 61.609 62.300 -0.013 0.000 0.901 324 V CB 1.908 33.756 31.823 0.042 0.000 1.003 324 V HN 0.958 nan 8.190 nan 0.000 0.425 325 M N 3.609 123.216 119.600 0.012 0.000 2.268 325 M HA 0.549 5.029 4.480 -0.000 0.000 0.344 325 M C -1.577 174.738 176.300 0.026 0.000 1.106 325 M CA -0.344 54.944 55.300 -0.020 0.000 1.010 325 M CB 1.420 33.946 32.600 -0.122 0.000 1.649 325 M HN 0.695 nan 8.290 nan 0.000 0.443 326 D N 4.809 125.212 120.400 0.005 0.000 2.502 326 D HA 0.522 5.162 4.640 -0.000 0.000 0.249 326 D C -1.332 174.939 176.300 -0.048 0.000 1.092 326 D CA -0.210 53.799 54.000 0.015 0.000 0.839 326 D CB 1.395 42.239 40.800 0.074 0.000 1.264 326 D HN 0.521 nan 8.370 nan 0.000 0.511 327 I N 2.730 123.296 120.570 -0.006 0.000 2.354 327 I HA 0.386 4.556 4.170 -0.000 0.000 0.292 327 I C -0.480 175.636 176.117 -0.003 0.000 0.989 327 I CA -0.555 60.735 61.300 -0.017 0.000 1.188 327 I CB 1.475 39.515 38.000 0.068 0.000 1.342 327 I HN 0.253 nan 8.210 nan 0.000 0.457 328 c N 3.995 122.579 118.600 -0.026 0.000 2.346 328 c HA 0.458 5.028 4.570 -0.000 0.000 0.326 328 c C -0.541 173.707 174.090 0.264 0.000 1.224 328 c CA -0.826 55.552 56.329 0.081 0.000 1.408 328 c CB 0.662 43.171 42.510 -0.001 0.000 2.089 328 c HN 0.603 nan 8.230 nan 0.000 0.456 329 D N 1.116 121.671 120.400 0.258 0.000 2.163 329 D HA 0.323 4.963 4.640 -0.000 0.000 0.248 329 D C -0.446 175.896 176.300 0.070 0.000 1.035 329 D CA -0.081 54.040 54.000 0.203 0.000 0.872 329 D CB 0.907 41.755 40.800 0.081 0.000 1.183 329 D HN 0.565 nan 8.370 nan 0.000 0.445 330 Y N 1.347 121.383 120.300 -0.440 0.000 2.301 330 Y HA 0.237 4.787 4.550 -0.000 0.000 0.328 330 Y C -0.133 175.509 175.900 -0.429 0.000 1.242 330 Y CA 0.031 57.539 58.100 -0.986 0.000 1.323 330 Y CB 0.874 38.545 38.460 -1.314 0.000 1.266 330 Y HN 0.191 nan 8.280 nan 0.000 0.527 331 D N 4.404 124.079 120.400 -1.209 0.000 2.408 331 D HA 0.055 4.695 4.640 -0.000 0.000 0.243 331 D C 0.642 176.338 176.300 -1.007 0.000 1.075 331 D CA -0.242 53.274 54.000 -0.807 0.000 0.832 331 D CB 1.349 41.870 40.800 -0.465 0.000 1.162 331 D HN 0.835 nan 8.370 nan 0.000 0.515 332 E N 2.600 122.487 120.200 -0.522 0.000 2.118 332 E HA -0.198 4.152 4.350 -0.000 0.000 0.195 332 E C 1.120 177.610 176.600 -0.183 0.000 0.992 332 E CA 1.437 57.681 56.400 -0.260 0.000 0.804 332 E CB -0.114 29.540 29.700 -0.077 0.000 0.741 332 E HN 0.368 nan 8.360 nan 0.000 0.458 333 S N 1.431 117.023 115.700 -0.181 0.000 2.327 333 S HA -0.107 4.363 4.470 -0.000 0.000 0.213 333 S C 2.422 176.960 174.600 -0.103 0.000 1.032 333 S CA 1.326 59.462 58.200 -0.106 0.000 0.960 333 S CB -0.785 62.366 63.200 -0.083 0.000 0.900 333 S HN 0.440 nan 8.310 nan 0.000 0.469 334 S N 1.210 116.828 115.700 -0.137 0.000 2.428 334 S HA 0.275 4.745 4.470 -0.000 0.000 0.230 334 S C 1.740 176.296 174.600 -0.074 0.000 1.014 334 S CA 0.748 58.893 58.200 -0.092 0.000 0.957 334 S CB -1.305 61.843 63.200 -0.088 0.000 0.784 334 S HN 1.811 nan 8.310 nan 0.000 0.499 335 G N 1.659 110.353 108.800 -0.177 0.000 2.225 335 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.264 335 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.264 335 G C 0.046 174.983 174.900 0.062 0.000 1.060 335 G CA 0.211 45.300 45.100 -0.018 0.000 0.833 335 G HN 0.603 nan 8.290 nan 0.000 0.498 336 R N -2.042 118.371 120.500 -0.143 0.000 2.943 336 R HA 0.747 5.087 4.340 -0.000 0.000 0.246 336 R C -0.634 175.566 176.300 -0.167 0.000 1.201 336 R CA -0.800 55.296 56.100 -0.006 0.000 1.056 336 R CB 0.982 31.291 30.300 0.016 0.000 1.243 336 R HN 0.177 nan 8.270 nan 0.000 0.498 337 W N -0.249 121.083 121.300 0.052 0.000 2.799 337 W HA 0.447 5.107 4.660 0.000 0.000 0.349 337 W C -0.152 176.361 176.519 -0.010 0.000 1.100 337 W CA -0.512 56.849 57.345 0.027 0.000 1.174 337 W CB 1.152 30.619 29.460 0.013 0.000 1.427 337 W HN 0.163 nan 8.180 nan 0.000 0.547 338 N N 1.180 120.005 118.700 0.209 0.000 2.410 338 N HA 0.345 5.085 4.740 -0.000 0.000 0.287 338 N C -1.800 173.767 175.510 0.096 0.000 1.044 338 N CA -0.402 52.710 53.050 0.103 0.000 0.881 338 N CB 1.790 40.302 38.487 0.041 0.000 1.405 338 N HN 0.313 nan 8.380 nan 0.000 0.490 339 c N 3.358 121.993 118.600 0.057 0.000 2.288 339 c HA 0.344 4.914 4.570 -0.000 0.000 0.328 339 c C 0.441 174.538 174.090 0.011 0.000 1.071 339 c CA -0.866 55.481 56.329 0.030 0.000 1.594 339 c CB -1.516 40.999 42.510 0.008 0.000 1.700 339 c HN 0.519 nan 8.230 nan 0.000 0.436 340 L N 2.352 123.586 121.223 0.019 0.000 2.513 340 L HA 0.027 4.367 4.340 -0.000 0.000 0.272 340 L C 1.504 178.372 176.870 -0.002 0.000 1.187 340 L CA 0.696 55.541 54.840 0.008 0.000 0.895 340 L CB 0.617 42.685 42.059 0.016 0.000 1.147 340 L HN 0.567 nan 8.230 nan 0.000 0.483 341 V N 4.003 123.908 119.914 -0.016 0.000 2.594 341 V HA -0.280 3.840 4.120 -0.000 0.000 0.253 341 V C 2.195 178.269 176.094 -0.032 0.000 1.069 341 V CA 1.699 63.983 62.300 -0.027 0.000 1.082 341 V CB -1.106 30.697 31.823 -0.033 0.000 0.680 341 V HN 0.996 nan 8.190 nan 0.000 0.469 342 A N -0.083 122.721 122.820 -0.028 0.000 2.067 342 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 342 A C 2.353 179.906 177.584 -0.053 0.000 1.158 342 A CA 1.500 53.513 52.037 -0.039 0.000 0.661 342 A CB -0.444 18.541 19.000 -0.025 0.000 0.801 342 A HN 0.493 nan 8.150 nan 0.000 0.452 343 R N -0.530 119.961 120.500 -0.015 0.000 2.276 343 R HA 0.090 4.430 4.340 -0.000 0.000 0.196 343 R C 0.175 176.493 176.300 0.030 0.000 0.961 343 R CA 0.039 56.158 56.100 0.032 0.000 1.024 343 R CB 0.056 30.407 30.300 0.086 0.000 0.940 343 R HN 0.616 nan 8.270 nan 0.000 0.480 344 Q N 0.418 120.201 119.800 -0.029 0.000 2.286 344 Q HA 0.035 4.375 4.340 -0.000 0.000 0.267 344 Q C -0.968 174.974 176.000 -0.097 0.000 1.028 344 Q CA 0.414 56.212 55.803 -0.008 0.000 0.901 344 Q CB 0.776 29.504 28.738 -0.018 0.000 1.183 344 Q HN 0.219 nan 8.270 nan 0.000 0.392 345 H N 1.714 120.789 119.070 0.008 0.000 2.476 345 H HA 0.394 4.950 4.556 -0.000 0.000 0.328 345 H C -0.557 174.750 175.328 -0.036 0.000 1.073 345 H CA -0.407 55.652 56.048 0.018 0.000 1.229 345 H CB 0.812 30.599 29.762 0.041 0.000 1.432 345 H HN 0.464 nan 8.280 nan 0.000 0.477 346 I N 2.136 122.728 120.570 0.036 0.000 2.392 346 I HA 0.249 4.419 4.170 -0.000 0.000 0.295 346 I C 0.103 176.176 176.117 -0.074 0.000 0.985 346 I CA -0.360 60.877 61.300 -0.105 0.000 1.221 346 I CB 1.369 39.268 38.000 -0.168 0.000 1.366 346 I HN 0.504 nan 8.210 nan 0.000 0.467 347 E N 7.125 127.230 120.200 -0.158 0.000 2.216 347 E HA 0.526 4.876 4.350 -0.000 0.000 0.260 347 E C -1.310 175.211 176.600 -0.132 0.000 0.880 347 E CA -0.548 55.804 56.400 -0.080 0.000 0.765 347 E CB 1.667 31.352 29.700 -0.026 0.000 1.174 347 E HN 0.537 nan 8.360 nan 0.000 0.417 348 M N 1.286 120.846 119.600 -0.066 0.000 2.716 348 M HA 0.433 4.913 4.480 -0.000 0.000 0.307 348 M C -0.482 175.823 176.300 0.008 0.000 1.223 348 M CA -0.819 54.467 55.300 -0.023 0.000 0.871 348 M CB 2.424 35.038 32.600 0.024 0.000 1.739 348 M HN 0.289 nan 8.290 nan 0.000 0.475 349 S N -0.693 115.020 115.700 0.021 0.000 2.572 349 S HA 0.451 4.921 4.470 -0.000 0.000 0.274 349 S C 0.199 174.799 174.600 0.001 0.000 1.150 349 S CA -0.623 57.576 58.200 -0.002 0.000 0.944 349 S CB 1.364 64.539 63.200 -0.042 0.000 1.071 349 S HN 0.809 nan 8.310 nan 0.000 0.479 350 T N 0.365 114.918 114.554 -0.001 0.000 3.037 350 T HA 0.040 4.390 4.350 -0.000 0.000 0.251 350 T C 1.759 176.447 174.700 -0.019 0.000 1.079 350 T CA 0.868 62.968 62.100 -0.000 0.000 1.067 350 T CB -0.373 68.501 68.868 0.010 0.000 0.948 350 T HN 0.699 nan 8.240 nan 0.000 0.496 351 T N -1.113 113.426 114.554 -0.025 0.000 3.054 351 T HA 0.521 4.871 4.350 -0.000 0.000 0.259 351 T C 1.247 175.833 174.700 -0.189 0.000 1.092 351 T CA 0.541 62.630 62.100 -0.018 0.000 1.121 351 T CB 0.095 69.012 68.868 0.082 0.000 0.912 351 T HN 0.576 nan 8.240 nan 0.000 0.489 352 G N 0.346 108.904 108.800 -0.404 0.000 2.795 352 G HA2 0.463 4.423 3.960 -0.000 0.000 0.127 352 G HA3 0.463 4.423 3.960 -0.000 0.000 0.127 352 G C -1.654 173.030 174.900 -0.360 0.000 1.203 352 G CA -0.511 44.153 45.100 -0.726 0.000 1.145 352 G HN 0.520 nan 8.290 nan 0.000 0.580 353 W N 0.246 121.271 121.300 -0.458 0.000 2.481 353 W HA 0.769 5.429 4.660 0.000 0.000 0.369 353 W C -0.340 176.127 176.519 -0.087 0.000 1.235 353 W CA -1.326 55.886 57.345 -0.220 0.000 1.344 353 W CB 0.776 30.072 29.460 -0.274 0.000 1.360 353 W HN 0.295 nan 8.180 nan 0.000 0.658 354 V N 2.903 122.902 119.914 0.141 0.000 2.465 354 V HA 0.720 4.840 4.120 -0.000 0.000 0.279 354 V C 0.837 177.015 176.094 0.141 0.000 1.045 354 V CA 0.209 62.550 62.300 0.069 0.000 0.938 354 V CB -0.071 31.787 31.823 0.058 0.000 0.986 354 V HN 1.373 nan 8.190 nan 0.000 0.467 355 G N 4.663 113.497 108.800 0.056 0.000 2.828 355 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.463 355 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.463 355 G C 0.357 175.329 174.900 0.120 0.000 1.394 355 G CA 0.357 45.511 45.100 0.089 0.000 0.862 355 G HN 0.677 nan 8.290 nan 0.000 0.540 356 R N -1.053 119.509 120.500 0.102 0.000 2.057 356 R HA 0.155 4.495 4.340 -0.000 0.000 0.229 356 R C 2.102 178.306 176.300 -0.159 0.000 1.136 356 R CA 2.244 58.340 56.100 -0.008 0.000 0.952 356 R CB -0.108 30.189 30.300 -0.004 0.000 0.848 356 R HN 0.488 nan 8.270 nan 0.000 0.430 357 F N -1.047 119.040 119.950 0.228 0.000 2.729 357 F HA 0.247 4.774 4.527 0.000 0.000 0.304 357 F C 0.572 176.389 175.800 0.028 0.000 1.008 357 F CA -0.520 57.551 58.000 0.118 0.000 1.188 357 F CB 0.612 39.678 39.000 0.110 0.000 0.980 357 F HN -0.143 nan 8.300 nan 0.000 0.627 358 R N -0.148 120.488 120.500 0.226 0.000 2.799 358 R HA 0.555 4.895 4.340 -0.000 0.000 0.270 358 R C -3.237 173.124 176.300 0.102 0.000 1.010 358 R CA -2.064 54.095 56.100 0.098 0.000 0.916 358 R CB 0.459 30.764 30.300 0.009 0.000 1.228 358 R HN -0.329 nan 8.270 nan 0.000 0.469 359 P HA -0.049 nan 4.420 nan 0.000 0.264 359 P C -0.316 177.008 177.300 0.039 0.000 1.183 359 P CA 0.120 63.244 63.100 0.040 0.000 0.763 359 P CB 0.706 32.407 31.700 0.003 0.000 0.807 360 S N 1.894 117.627 115.700 0.056 0.000 2.592 360 S HA 0.169 4.639 4.470 -0.000 0.000 0.271 360 S C 0.230 174.849 174.600 0.032 0.000 1.326 360 S CA -0.744 57.504 58.200 0.080 0.000 1.024 360 S CB 0.419 63.690 63.200 0.119 0.000 0.921 360 S HN 0.513 nan 8.310 nan 0.000 0.527 361 E N 1.776 122.005 120.200 0.049 0.000 2.354 361 E HA 0.301 4.651 4.350 -0.000 0.000 0.269 361 E C -2.726 173.841 176.600 -0.055 0.000 1.036 361 E CA -2.105 54.276 56.400 -0.032 0.000 0.876 361 E CB -0.048 29.632 29.700 -0.034 0.000 1.009 361 E HN 0.446 nan 8.360 nan 0.000 0.416 362 P HA 0.234 nan 4.420 nan 0.000 0.279 362 P C -1.114 176.092 177.300 -0.156 0.000 1.239 362 P CA -0.253 62.697 63.100 -0.249 0.000 0.789 362 P CB 0.357 31.603 31.700 -0.756 0.000 0.933 363 H N 1.651 120.757 119.070 0.060 0.000 2.638 363 H HA 0.403 4.959 4.556 -0.000 0.000 0.303 363 H C -0.319 175.148 175.328 0.232 0.000 1.034 363 H CA -0.173 55.992 56.048 0.196 0.000 1.225 363 H CB 0.013 29.902 29.762 0.211 0.000 1.394 363 H HN 0.244 nan 8.280 nan 0.000 0.477 364 F N 1.129 121.263 119.950 0.306 0.000 2.370 364 F HA 0.225 4.752 4.527 -0.000 0.000 0.324 364 F C 1.312 177.303 175.800 0.318 0.000 1.116 364 F CA -0.603 57.586 58.000 0.314 0.000 1.123 364 F CB 1.063 40.180 39.000 0.196 0.000 1.238 364 F HN 0.412 nan 8.300 nan 0.000 0.536 365 T N -0.182 114.679 114.554 0.513 0.000 2.754 365 T HA 0.155 4.505 4.350 -0.000 0.000 0.286 365 T C 0.998 175.891 174.700 0.321 0.000 0.997 365 T CA -0.711 61.619 62.100 0.384 0.000 0.982 365 T CB 0.712 69.790 68.868 0.349 0.000 1.027 365 T HN 0.547 nan 8.240 nan 0.000 0.529 366 L N 1.216 122.582 121.223 0.238 0.000 2.042 366 L HA -0.043 4.297 4.340 -0.000 0.000 0.210 366 L C 2.109 179.086 176.870 0.178 0.000 1.076 366 L CA 2.300 57.254 54.840 0.190 0.000 0.749 366 L CB -0.948 41.200 42.059 0.149 0.000 0.893 366 L HN 0.928 nan 8.230 nan 0.000 0.432 367 D N -1.413 119.095 120.400 0.180 0.000 2.317 367 D HA 0.054 4.694 4.640 -0.000 0.000 0.211 367 D C 1.613 178.020 176.300 0.179 0.000 0.966 367 D CA 0.813 54.909 54.000 0.160 0.000 0.876 367 D CB -0.552 40.333 40.800 0.142 0.000 0.927 367 D HN 0.347 nan 8.370 nan 0.000 0.519 368 G N 0.357 109.306 108.800 0.249 0.000 2.176 368 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.252 368 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.252 368 G C 0.765 175.865 174.900 0.333 0.000 1.024 368 G CA 0.306 45.582 45.100 0.293 0.000 0.755 368 G HN 0.351 nan 8.290 nan 0.000 0.507 369 N N -0.103 118.773 118.700 0.294 0.000 2.299 369 N HA 0.173 4.913 4.740 -0.000 0.000 0.187 369 N C 0.877 176.515 175.510 0.213 0.000 1.099 369 N CA 1.078 54.266 53.050 0.231 0.000 0.867 369 N CB 0.517 39.096 38.487 0.152 0.000 0.974 369 N HN 0.905 nan 8.380 nan 0.000 0.477 370 S N -0.430 115.427 115.700 0.262 0.000 2.596 370 S HA 0.745 5.215 4.470 -0.000 0.000 0.270 370 S C -0.923 173.717 174.600 0.067 0.000 1.155 370 S CA -0.931 57.284 58.200 0.025 0.000 0.827 370 S CB 1.793 64.964 63.200 -0.048 0.000 1.130 370 S HN 0.116 nan 8.310 nan 0.000 0.467 371 F N -1.710 118.013 119.950 -0.379 0.000 2.711 371 F HA 0.859 5.386 4.527 0.000 0.000 0.313 371 F C -2.261 173.326 175.800 -0.356 0.000 1.141 371 F CA -1.534 56.183 58.000 -0.472 0.000 0.941 371 F CB 0.658 38.917 39.000 -1.234 0.000 1.349 371 F HN 0.601 nan 8.300 nan 0.000 0.464 372 Y N 0.773 121.210 120.300 0.227 0.000 2.446 372 Y HA 0.713 5.263 4.550 -0.000 0.000 0.345 372 Y C -0.407 175.667 175.900 0.290 0.000 0.984 372 Y CA -1.052 57.182 58.100 0.224 0.000 1.058 372 Y CB 2.340 40.888 38.460 0.145 0.000 1.220 372 Y HN 0.702 nan 8.280 nan 0.000 0.455 373 K N 2.828 123.475 120.400 0.411 0.000 2.550 373 K HA 0.485 4.805 4.320 -0.000 0.000 0.252 373 K C -1.604 175.148 176.600 0.253 0.000 0.943 373 K CA -0.563 55.910 56.287 0.310 0.000 0.806 373 K CB 1.608 34.240 32.500 0.220 0.000 1.289 373 K HN 0.717 nan 8.250 nan 0.000 0.435 374 I N 4.920 125.610 120.570 0.199 0.000 2.505 374 I HA 0.079 4.249 4.170 -0.000 0.000 0.287 374 I C -0.164 176.046 176.117 0.156 0.000 1.104 374 I CA 0.038 61.435 61.300 0.161 0.000 1.387 374 I CB 0.156 38.244 38.000 0.146 0.000 1.404 374 I HN 0.391 nan 8.210 nan 0.000 0.528 375 I N 5.260 125.939 120.570 0.182 0.000 2.569 375 I HA 0.175 4.345 4.170 -0.000 0.000 0.296 375 I C 0.302 176.557 176.117 0.230 0.000 1.028 375 I CA -0.103 61.312 61.300 0.192 0.000 1.082 375 I CB 2.156 40.271 38.000 0.191 0.000 1.264 375 I HN 0.407 nan 8.210 nan 0.000 0.429 376 S N 5.355 121.125 115.700 0.118 0.000 2.525 376 S HA 0.135 4.605 4.470 -0.000 0.000 0.285 376 S C 0.031 174.685 174.600 0.089 0.000 1.283 376 S CA -0.248 57.971 58.200 0.032 0.000 1.072 376 S CB -0.390 62.773 63.200 -0.061 0.000 0.867 376 S HN 0.743 nan 8.310 nan 0.000 0.492 377 N N 2.977 121.653 118.700 -0.041 0.000 2.448 377 N HA 0.266 5.006 4.740 -0.000 0.000 0.274 377 N C 0.498 175.899 175.510 -0.180 0.000 1.239 377 N CA -0.794 52.103 53.050 -0.255 0.000 0.982 377 N CB 0.409 38.434 38.487 -0.771 0.000 1.199 377 N HN 0.471 nan 8.380 nan 0.000 0.576 378 E N -0.430 119.637 120.200 -0.222 0.000 2.267 378 E HA -0.177 4.173 4.350 -0.000 0.000 0.197 378 E C 0.561 177.093 176.600 -0.113 0.000 0.998 378 E CA 1.353 57.674 56.400 -0.132 0.000 0.830 378 E CB 0.006 29.629 29.700 -0.129 0.000 0.751 378 E HN 0.606 nan 8.360 nan 0.000 0.491 379 E N -1.688 118.441 120.200 -0.117 0.000 2.481 379 E HA 0.215 4.565 4.350 -0.000 0.000 0.198 379 E C 0.938 177.505 176.600 -0.056 0.000 1.027 379 E CA 0.484 56.856 56.400 -0.047 0.000 0.900 379 E CB 1.005 30.706 29.700 0.002 0.000 0.993 379 E HN 0.259 nan 8.360 nan 0.000 0.482 380 G N -0.233 108.479 108.800 -0.146 0.000 2.195 380 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.224 380 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.224 380 G C -0.304 174.330 174.900 -0.443 0.000 0.990 380 G CA -0.335 44.576 45.100 -0.316 0.000 0.639 380 G HN 0.227 nan 8.290 nan 0.000 0.514 381 Y N 0.885 121.050 120.300 -0.225 0.000 2.323 381 Y HA 0.668 5.218 4.550 -0.000 0.000 0.331 381 Y C 1.178 176.871 175.900 -0.344 0.000 1.092 381 Y CA -0.706 57.222 58.100 -0.286 0.000 1.150 381 Y CB 0.902 39.195 38.460 -0.278 0.000 1.200 381 Y HN 0.056 nan 8.280 nan 0.000 0.472 382 R N 2.838 123.177 120.500 -0.268 0.000 2.267 382 R HA 0.320 4.660 4.340 -0.000 0.000 0.319 382 R C -1.095 174.949 176.300 -0.427 0.000 1.067 382 R CA -0.018 55.952 56.100 -0.217 0.000 0.936 382 R CB 0.150 30.383 30.300 -0.112 0.000 1.006 382 R HN 0.758 nan 8.270 nan 0.000 0.452 383 H N 0.793 119.892 119.070 0.048 0.000 2.941 383 H HA 0.383 4.939 4.556 0.000 0.000 0.344 383 H C -0.434 174.966 175.328 0.121 0.000 1.235 383 H CA -0.892 55.168 56.048 0.020 0.000 1.149 383 H CB 1.480 31.191 29.762 -0.084 0.000 1.885 383 H HN 0.324 nan 8.280 nan 0.000 0.558 384 I N 0.953 121.620 120.570 0.162 0.000 2.474 384 I HA 0.136 4.306 4.170 -0.000 0.000 0.287 384 I C -0.297 175.795 176.117 -0.042 0.000 1.048 384 I CA 0.102 61.432 61.300 0.050 0.000 1.383 384 I CB 0.508 38.462 38.000 -0.077 0.000 1.412 384 I HN 0.280 nan 8.210 nan 0.000 0.531 385 c N 6.337 124.880 118.600 -0.095 0.000 2.455 385 c HA 0.420 4.990 4.570 -0.000 0.000 0.320 385 c C -0.636 173.294 174.090 -0.267 0.000 1.226 385 c CA -0.543 55.521 56.329 -0.441 0.000 1.569 385 c CB 1.078 43.122 42.510 -0.777 0.000 2.200 385 c HN 0.639 nan 8.230 nan 0.000 0.491 386 Y N 4.953 124.880 120.300 -0.622 0.000 2.385 386 Y HA 0.648 5.198 4.550 -0.000 0.000 0.341 386 Y C -1.017 174.393 175.900 -0.816 0.000 0.965 386 Y CA -0.960 56.731 58.100 -0.682 0.000 1.180 386 Y CB 0.031 38.199 38.460 -0.487 0.000 1.139 386 Y HN 0.579 nan 8.280 nan 0.000 0.502 387 F N 3.714 122.914 119.950 -1.251 0.000 2.422 387 F HA 0.525 5.052 4.527 0.000 0.000 0.333 387 F C -0.074 174.947 175.800 -1.298 0.000 1.095 387 F CA -0.726 56.497 58.000 -1.295 0.000 1.038 387 F CB 1.514 39.404 39.000 -1.849 0.000 1.156 387 F HN 0.323 nan 8.300 nan 0.000 0.483 388 Q N 2.294 121.711 119.800 -0.637 0.000 2.333 388 Q HA 0.327 4.667 4.340 -0.000 0.000 0.268 388 Q C 0.637 176.582 176.000 -0.091 0.000 1.007 388 Q CA -0.654 54.908 55.803 -0.402 0.000 0.810 388 Q CB 2.420 30.947 28.738 -0.352 0.000 1.264 388 Q HN 0.637 nan 8.270 nan 0.000 0.452 389 I N 1.633 122.220 120.570 0.028 0.000 2.145 389 I HA -0.339 3.831 4.170 -0.000 0.000 0.244 389 I C 1.248 177.469 176.117 0.174 0.000 1.075 389 I CA 1.855 63.275 61.300 0.201 0.000 1.332 389 I CB 0.106 38.241 38.000 0.225 0.000 1.033 389 I HN 0.685 nan 8.210 nan 0.000 0.410 390 D N 0.014 120.464 120.400 0.083 0.000 2.339 390 D HA 0.030 4.670 4.640 -0.000 0.000 0.217 390 D C 0.458 176.767 176.300 0.014 0.000 1.050 390 D CA 0.368 54.396 54.000 0.047 0.000 0.856 390 D CB 0.226 41.046 40.800 0.033 0.000 0.922 390 D HN 0.219 nan 8.370 nan 0.000 0.518 391 K N 0.840 121.247 120.400 0.012 0.000 2.123 391 K HA 0.172 4.492 4.320 -0.000 0.000 0.259 391 K C 1.247 177.844 176.600 -0.006 0.000 0.960 391 K CA -0.386 55.889 56.287 -0.020 0.000 0.872 391 K CB 2.202 34.665 32.500 -0.061 0.000 1.079 391 K HN -0.090 nan 8.250 nan 0.000 0.440 392 K N 0.140 120.514 120.400 -0.045 0.000 2.031 392 K HA -0.007 4.313 4.320 -0.000 0.000 0.205 392 K C 0.492 177.076 176.600 -0.026 0.000 1.049 392 K CA 1.203 57.447 56.287 -0.072 0.000 0.939 392 K CB 0.180 32.638 32.500 -0.070 0.000 0.717 392 K HN 0.399 nan 8.250 nan 0.000 0.438 393 D N -0.463 119.903 120.400 -0.056 0.000 2.494 393 D HA 0.298 4.938 4.640 -0.000 0.000 0.259 393 D C -0.526 175.599 176.300 -0.291 0.000 1.109 393 D CA -0.341 53.593 54.000 -0.110 0.000 1.040 393 D CB 1.941 42.675 40.800 -0.110 0.000 1.175 393 D HN 0.448 nan 8.370 nan 0.000 0.584 394 c N -1.291 116.998 118.600 -0.518 0.000 2.630 394 c HA 0.877 5.447 4.570 -0.000 0.000 0.346 394 c C -0.181 173.546 174.090 -0.605 0.000 1.245 394 c CA -0.443 55.364 56.329 -0.871 0.000 1.804 394 c CB 1.143 42.495 42.510 -1.930 0.000 2.279 394 c HN 0.478 nan 8.230 nan 0.000 0.498 395 T N 1.491 115.711 114.554 -0.557 0.000 2.829 395 T HA 0.544 4.894 4.350 -0.000 0.000 0.280 395 T C -0.902 173.548 174.700 -0.418 0.000 0.999 395 T CA 0.102 62.011 62.100 -0.318 0.000 0.983 395 T CB 0.749 69.567 68.868 -0.082 0.000 0.968 395 T HN 0.500 nan 8.240 nan 0.000 0.446 396 F N 2.085 121.904 119.950 -0.217 0.000 2.427 396 F HA 0.353 4.880 4.527 -0.000 0.000 0.352 396 F C 1.169 176.754 175.800 -0.358 0.000 1.100 396 F CA -0.636 57.214 58.000 -0.250 0.000 1.191 396 F CB 0.573 39.439 39.000 -0.224 0.000 1.128 396 F HN 0.495 nan 8.300 nan 0.000 0.533 397 I N 0.505 120.910 120.570 -0.275 0.000 3.526 397 I HA 0.015 4.185 4.170 -0.000 0.000 0.294 397 I C 0.861 176.778 176.117 -0.334 0.000 1.229 397 I CA 0.477 61.415 61.300 -0.604 0.000 1.408 397 I CB 0.048 37.649 38.000 -0.666 0.000 1.127 397 I HN 0.596 nan 8.210 nan 0.000 0.439 398 T N -0.291 114.122 114.554 -0.235 0.000 2.932 398 T HA 0.815 5.165 4.350 -0.000 0.000 0.289 398 T C -0.537 173.729 174.700 -0.723 0.000 1.039 398 T CA -0.761 61.163 62.100 -0.294 0.000 1.024 398 T CB 2.463 71.255 68.868 -0.127 0.000 1.090 398 T HN 0.159 nan 8.240 nan 0.000 0.496 399 K N -0.733 119.075 120.400 -0.987 0.000 2.615 399 K HA 0.841 5.161 4.320 -0.000 0.000 0.291 399 K C -0.288 175.679 176.600 -1.054 0.000 1.017 399 K CA -0.670 54.831 56.287 -1.310 0.000 0.882 399 K CB 1.065 33.170 32.500 -0.659 0.000 1.522 399 K HN 1.518 nan 8.250 nan 0.000 0.412 400 G N -0.363 107.937 108.800 -0.835 0.000 2.355 400 G HA2 0.089 4.049 3.960 -0.000 0.000 0.619 400 G HA3 0.089 4.049 3.960 -0.000 0.000 0.619 400 G C -0.601 173.801 174.900 -0.830 0.000 1.337 400 G CA -0.417 44.301 45.100 -0.637 0.000 0.993 400 G HN 1.277 nan 8.290 nan 0.000 0.599 401 T N -0.518 113.643 114.554 -0.655 0.000 4.099 401 T HA 0.531 4.881 4.350 -0.000 0.000 0.223 401 T C 0.333 174.784 174.700 -0.414 0.000 0.968 401 T CA 0.707 62.220 62.100 -0.978 0.000 0.966 401 T CB -0.983 67.579 68.868 -0.510 0.000 1.328 401 T HN 1.489 nan 8.240 nan 0.000 0.783 402 W N -0.320 120.775 121.300 -0.343 0.000 2.961 402 W HA 0.668 5.328 4.660 -0.000 0.000 0.368 402 W C -1.368 175.143 176.519 -0.013 0.000 1.213 402 W CA -1.026 56.290 57.345 -0.049 0.000 1.173 402 W CB 0.775 30.213 29.460 -0.037 0.000 1.487 402 W HN 0.121 nan 8.180 nan 0.000 0.585 403 E N 0.911 121.365 120.200 0.424 0.000 2.288 403 E HA 0.435 4.785 4.350 -0.000 0.000 0.268 403 E C -0.981 175.867 176.600 0.412 0.000 0.885 403 E CA -1.144 55.343 56.400 0.146 0.000 0.767 403 E CB 3.356 33.136 29.700 0.134 0.000 1.220 403 E HN 0.165 nan 8.360 nan 0.000 0.427 404 V N 3.648 123.707 119.914 0.240 0.000 2.555 404 V HA -0.007 4.113 4.120 -0.000 0.000 0.286 404 V C 1.255 177.512 176.094 0.271 0.000 1.044 404 V CA -0.053 62.460 62.300 0.356 0.000 1.026 404 V CB 0.508 32.466 31.823 0.225 0.000 0.981 404 V HN 0.677 nan 8.190 nan 0.000 0.480 405 I N 2.953 123.688 120.570 0.274 0.000 2.400 405 I HA 0.250 4.420 4.170 -0.000 0.000 0.248 405 I C 1.137 177.395 176.117 0.234 0.000 1.109 405 I CA 1.084 62.522 61.300 0.229 0.000 1.425 405 I CB -0.887 37.177 38.000 0.107 0.000 1.094 405 I HN 0.777 nan 8.210 nan 0.000 0.425 406 G N 0.900 109.840 108.800 0.233 0.000 2.716 406 G HA2 0.474 4.434 3.960 -0.000 0.000 0.299 406 G HA3 0.474 4.434 3.960 -0.000 0.000 0.299 406 G C -0.993 174.020 174.900 0.189 0.000 1.450 406 G CA -0.601 44.628 45.100 0.216 0.000 0.968 406 G HN -0.029 nan 8.290 nan 0.000 0.566 407 I N 1.811 122.434 120.570 0.090 0.000 2.556 407 I HA 0.179 4.349 4.170 -0.000 0.000 0.284 407 I C 0.873 176.882 176.117 -0.180 0.000 1.114 407 I CA -0.097 61.130 61.300 -0.121 0.000 1.418 407 I CB 1.245 38.982 38.000 -0.439 0.000 1.394 407 I HN 0.516 nan 8.210 nan 0.000 0.552 408 E N 4.442 124.584 120.200 -0.097 0.000 2.367 408 E HA 0.367 4.717 4.350 -0.000 0.000 0.204 408 E C -0.019 176.477 176.600 -0.174 0.000 0.840 408 E CA 0.231 56.630 56.400 -0.002 0.000 1.051 408 E CB 0.932 30.728 29.700 0.161 0.000 1.051 408 E HN 0.684 nan 8.360 nan 0.000 0.509 409 A N 0.700 123.284 122.820 -0.393 0.000 2.606 409 A HA 0.691 5.011 4.320 -0.000 0.000 0.293 409 A C -1.896 175.557 177.584 -0.218 0.000 1.082 409 A CA -0.555 51.156 52.037 -0.542 0.000 0.685 409 A CB 1.542 19.557 19.000 -1.641 0.000 1.284 409 A HN 0.043 nan 8.150 nan 0.000 0.408 410 L N 0.944 122.102 121.223 -0.107 0.000 2.493 410 L HA 0.785 5.125 4.340 -0.000 0.000 0.265 410 L C 0.111 177.018 176.870 0.063 0.000 0.954 410 L CA 0.515 55.364 54.840 0.014 0.000 0.844 410 L CB 2.194 44.281 42.059 0.046 0.000 1.302 410 L HN 1.246 nan 8.230 nan 0.000 0.405 411 T N -0.548 114.070 114.554 0.106 0.000 2.762 411 T HA 0.427 4.777 4.350 -0.000 0.000 0.272 411 T C 0.995 175.741 174.700 0.077 0.000 0.982 411 T CA 0.152 62.316 62.100 0.107 0.000 1.013 411 T CB 0.997 69.957 68.868 0.154 0.000 1.309 411 T HN 0.669 nan 8.240 nan 0.000 0.572 412 S N -0.444 115.292 115.700 0.060 0.000 2.428 412 S HA -0.045 4.425 4.470 -0.000 0.000 0.230 412 S C 0.976 175.543 174.600 -0.054 0.000 1.014 412 S CA 0.956 59.172 58.200 0.026 0.000 0.957 412 S CB -0.529 62.687 63.200 0.026 0.000 0.784 412 S HN 0.684 nan 8.310 nan 0.000 0.499 413 D N -0.639 119.705 120.400 -0.094 0.000 2.380 413 D HA 0.266 4.906 4.640 -0.000 0.000 0.212 413 D C -0.642 175.291 176.300 -0.612 0.000 1.021 413 D CA 0.646 54.441 54.000 -0.342 0.000 0.884 413 D CB 0.316 40.919 40.800 -0.328 0.000 1.001 413 D HN 0.403 nan 8.370 nan 0.000 0.506 414 Y N -0.253 120.000 120.300 -0.078 0.000 2.534 414 Y HA 0.442 4.992 4.550 -0.000 0.000 0.345 414 Y C -0.685 175.082 175.900 -0.222 0.000 1.031 414 Y CA -0.933 57.039 58.100 -0.213 0.000 1.022 414 Y CB 2.104 40.329 38.460 -0.391 0.000 1.292 414 Y HN -0.288 nan 8.280 nan 0.000 0.459 415 L N 3.005 124.150 121.223 -0.129 0.000 2.329 415 L HA 0.649 4.989 4.340 -0.000 0.000 0.279 415 L C -1.838 174.942 176.870 -0.150 0.000 1.014 415 L CA -0.644 54.099 54.840 -0.163 0.000 0.814 415 L CB 0.938 42.792 42.059 -0.341 0.000 1.257 415 L HN 0.602 nan 8.230 nan 0.000 0.424 416 Y N 4.660 124.890 120.300 -0.117 0.000 2.352 416 Y HA 0.536 5.086 4.550 -0.000 0.000 0.339 416 Y C -0.584 175.336 175.900 0.033 0.000 0.992 416 Y CA -0.534 57.511 58.100 -0.092 0.000 1.100 416 Y CB 1.372 39.641 38.460 -0.319 0.000 1.192 416 Y HN 0.499 nan 8.280 nan 0.000 0.458 417 Y N 0.242 120.583 120.300 0.068 0.000 2.588 417 Y HA 0.818 5.368 4.550 -0.000 0.000 0.343 417 Y C -1.664 174.311 175.900 0.125 0.000 1.065 417 Y CA -2.275 55.868 58.100 0.073 0.000 1.038 417 Y CB 0.920 39.413 38.460 0.055 0.000 1.297 417 Y HN 0.446 nan 8.280 nan 0.000 0.467 418 I N 3.196 123.849 120.570 0.139 0.000 2.385 418 I HA 0.614 4.784 4.170 -0.000 0.000 0.294 418 I C -0.017 176.206 176.117 0.176 0.000 0.988 418 I CA 0.082 61.418 61.300 0.060 0.000 1.265 418 I CB 1.628 39.653 38.000 0.041 0.000 1.388 418 I HN 0.866 nan 8.210 nan 0.000 0.480 419 S N 3.488 119.257 115.700 0.115 0.000 2.638 419 S HA 0.402 4.872 4.470 -0.000 0.000 0.274 419 S C -0.364 174.247 174.600 0.018 0.000 1.157 419 S CA -0.879 57.390 58.200 0.115 0.000 0.826 419 S CB 1.359 64.604 63.200 0.074 0.000 1.139 419 S HN 0.745 nan 8.310 nan 0.000 0.474 420 N N -0.698 118.010 118.700 0.013 0.000 2.321 420 N HA 0.156 4.896 4.740 -0.000 0.000 0.242 420 N C 0.843 176.296 175.510 -0.096 0.000 1.141 420 N CA -0.398 52.635 53.050 -0.028 0.000 0.864 420 N CB 0.303 38.781 38.487 -0.016 0.000 1.100 420 N HN 0.740 nan 8.380 nan 0.000 0.510 421 E N 0.575 120.539 120.200 -0.394 0.000 2.110 421 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 421 E C -0.274 176.196 176.600 -0.217 0.000 0.988 421 E CA 0.514 56.497 56.400 -0.695 0.000 0.804 421 E CB -0.030 28.672 29.700 -1.664 0.000 0.745 421 E HN 0.449 nan 8.360 nan 0.000 0.458 422 Y N 2.156 122.365 120.300 -0.152 0.000 2.805 422 Y HA -0.145 4.405 4.550 -0.000 0.000 0.331 422 Y C 0.557 176.427 175.900 -0.049 0.000 1.241 422 Y CA 0.658 58.722 58.100 -0.059 0.000 1.546 422 Y CB 0.156 38.600 38.460 -0.026 0.000 1.248 422 Y HN 0.050 nan 8.280 nan 0.000 0.559 423 K N 3.552 123.656 120.400 -0.493 0.000 3.185 423 K HA -0.287 4.033 4.320 -0.000 0.000 0.298 423 K C 0.975 177.508 176.600 -0.111 0.000 1.178 423 K CA 0.955 57.021 56.287 -0.368 0.000 0.882 423 K CB -1.889 30.317 32.500 -0.490 0.000 1.218 423 K HN 1.312 nan 8.250 nan 0.000 0.454 424 G N 0.357 109.113 108.800 -0.073 0.000 2.148 424 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.254 424 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.254 424 G C 0.077 174.951 174.900 -0.043 0.000 0.981 424 G CA 0.678 45.780 45.100 0.002 0.000 0.670 424 G HN 0.307 nan 8.290 nan 0.000 0.528 425 M N 0.643 120.148 119.600 -0.158 0.000 2.077 425 M HA 0.300 4.780 4.480 -0.000 0.000 0.348 425 M C -1.170 174.884 176.300 -0.409 0.000 1.252 425 M CA -1.897 53.131 55.300 -0.454 0.000 1.096 425 M CB 1.559 33.975 32.600 -0.306 0.000 1.568 425 M HN -0.123 nan 8.290 nan 0.000 0.456 426 P HA -0.039 nan 4.420 nan 0.000 0.221 426 P C 1.116 178.285 177.300 -0.218 0.000 1.150 426 P CA 0.862 63.787 63.100 -0.292 0.000 0.800 426 P CB 0.212 31.737 31.700 -0.291 0.000 0.787 427 G N -0.879 107.749 108.800 -0.286 0.000 3.233 427 G HA2 0.273 4.233 3.960 -0.000 0.000 0.227 427 G HA3 0.273 4.233 3.960 -0.000 0.000 0.227 427 G C 0.608 175.517 174.900 0.014 0.000 1.175 427 G CA -0.002 45.049 45.100 -0.081 0.000 0.781 427 G HN 0.362 nan 8.290 nan 0.000 0.542 428 G N -0.234 108.518 108.800 -0.080 0.000 2.410 428 G HA2 0.630 4.590 3.960 -0.000 0.000 0.330 428 G HA3 0.630 4.590 3.960 -0.000 0.000 0.330 428 G C -0.981 173.810 174.900 -0.181 0.000 1.142 428 G CA -0.793 44.285 45.100 -0.036 0.000 0.902 428 G HN 0.156 nan 8.290 nan 0.000 0.491 429 R N 0.625 120.964 120.500 -0.268 0.000 2.538 429 R HA 0.446 4.786 4.340 -0.000 0.000 0.292 429 R C -0.838 175.382 176.300 -0.134 0.000 1.008 429 R CA -0.637 55.249 56.100 -0.357 0.000 0.896 429 R CB 1.658 31.421 30.300 -0.896 0.000 1.187 429 R HN 0.562 nan 8.270 nan 0.000 0.440 430 N N 1.894 120.524 118.700 -0.116 0.000 2.329 430 N HA 0.369 5.109 4.740 -0.000 0.000 0.282 430 N C -1.695 173.590 175.510 -0.374 0.000 1.198 430 N CA -0.771 52.111 53.050 -0.280 0.000 0.790 430 N CB 2.542 40.750 38.487 -0.465 0.000 1.579 430 N HN 0.266 nan 8.380 nan 0.000 0.475 431 L N 1.903 122.770 121.223 -0.595 0.000 2.312 431 L HA 0.510 4.850 4.340 -0.000 0.000 0.281 431 L C -1.368 175.028 176.870 -0.790 0.000 1.070 431 L CA 0.053 54.584 54.840 -0.514 0.000 0.805 431 L CB 0.177 41.987 42.059 -0.414 0.000 1.174 431 L HN 0.452 nan 8.230 nan 0.000 0.434 432 Y N 3.335 123.269 120.300 -0.610 0.000 2.633 432 Y HA 0.619 5.169 4.550 -0.000 0.000 0.339 432 Y C -0.443 175.158 175.900 -0.499 0.000 1.045 432 Y CA -0.900 56.809 58.100 -0.652 0.000 1.098 432 Y CB 1.712 39.559 38.460 -1.022 0.000 1.296 432 Y HN 0.446 nan 8.280 nan 0.000 0.494 433 K N 2.323 122.625 120.400 -0.163 0.000 2.615 433 K HA 0.525 4.845 4.320 -0.000 0.000 0.249 433 K C -2.067 174.516 176.600 -0.029 0.000 0.977 433 K CA -0.291 55.823 56.287 -0.288 0.000 0.833 433 K CB 1.045 33.236 32.500 -0.515 0.000 1.208 433 K HN 0.688 nan 8.250 nan 0.000 0.443 434 I N 3.337 123.951 120.570 0.072 0.000 2.339 434 I HA 0.211 4.381 4.170 -0.000 0.000 0.290 434 I C 0.270 176.510 176.117 0.206 0.000 0.994 434 I CA -0.852 60.547 61.300 0.164 0.000 1.191 434 I CB 1.685 39.761 38.000 0.127 0.000 1.343 434 I HN 0.501 nan 8.210 nan 0.000 0.458 435 Q N 5.336 125.248 119.800 0.187 0.000 2.271 435 Q HA 0.157 4.497 4.340 -0.000 0.000 0.273 435 Q C 0.514 176.449 176.000 -0.108 0.000 1.051 435 Q CA -0.050 55.712 55.803 -0.069 0.000 0.901 435 Q CB 0.980 29.703 28.738 -0.026 0.000 1.174 435 Q HN 0.758 nan 8.270 nan 0.000 0.385 436 L N 2.518 123.603 121.223 -0.231 0.000 2.291 436 L HA -0.126 4.214 4.340 -0.000 0.000 0.214 436 L C 2.178 178.878 176.870 -0.285 0.000 1.120 436 L CA 0.976 55.726 54.840 -0.150 0.000 0.799 436 L CB -0.223 41.750 42.059 -0.142 0.000 0.925 436 L HN 0.673 nan 8.230 nan 0.000 0.446 437 S N -2.202 113.330 115.700 -0.279 0.000 2.436 437 S HA -0.056 4.414 4.470 -0.000 0.000 0.228 437 S C 0.611 175.026 174.600 -0.309 0.000 1.014 437 S CA 0.214 58.246 58.200 -0.279 0.000 0.950 437 S CB -0.009 63.071 63.200 -0.199 0.000 0.784 437 S HN 0.303 nan 8.310 nan 0.000 0.504 438 D N -0.314 119.934 120.400 -0.254 0.000 2.476 438 D HA 0.317 4.957 4.640 -0.000 0.000 0.251 438 D C -0.408 175.851 176.300 -0.069 0.000 1.291 438 D CA -0.746 53.142 54.000 -0.187 0.000 0.939 438 D CB 0.598 41.343 40.800 -0.091 0.000 1.221 438 D HN -0.055 nan 8.370 nan 0.000 0.567 439 Y N 1.225 121.500 120.300 -0.041 0.000 2.421 439 Y HA -0.112 4.438 4.550 -0.000 0.000 0.292 439 Y C 2.537 178.434 175.900 -0.005 0.000 1.136 439 Y CA 1.494 59.576 58.100 -0.030 0.000 1.255 439 Y CB -0.691 37.747 38.460 -0.036 0.000 0.991 439 Y HN 0.456 nan 8.280 nan 0.000 0.552 440 T N -2.899 111.737 114.554 0.137 0.000 3.055 440 T HA -0.018 4.332 4.350 -0.000 0.000 0.265 440 T C 0.755 175.504 174.700 0.081 0.000 1.111 440 T CA 0.230 62.384 62.100 0.091 0.000 1.118 440 T CB -0.064 68.837 68.868 0.054 0.000 0.909 440 T HN -0.137 nan 8.240 nan 0.000 0.501 441 K N 2.720 123.168 120.400 0.079 0.000 2.220 441 K HA 0.437 4.757 4.320 -0.000 0.000 0.283 441 K C -1.024 175.639 176.600 0.106 0.000 1.098 441 K CA -0.169 56.164 56.287 0.077 0.000 0.928 441 K CB 0.888 33.426 32.500 0.063 0.000 1.214 441 K HN 0.198 nan 8.250 nan 0.000 0.442 442 V N 2.770 122.744 119.914 0.100 0.000 2.407 442 V HA 0.245 4.364 4.120 -0.000 0.000 0.291 442 V C 0.023 176.170 176.094 0.087 0.000 1.018 442 V CA -0.815 61.557 62.300 0.120 0.000 0.842 442 V CB 1.802 33.715 31.823 0.150 0.000 0.996 442 V HN 0.532 nan 8.190 nan 0.000 0.426 443 T N 3.559 118.135 114.554 0.038 0.000 2.795 443 T HA 0.258 4.608 4.350 -0.000 0.000 0.282 443 T C -0.164 174.473 174.700 -0.105 0.000 0.980 443 T CA -0.220 61.857 62.100 -0.039 0.000 1.012 443 T CB 1.249 70.053 68.868 -0.106 0.000 0.936 443 T HN 0.762 nan 8.240 nan 0.000 0.457 444 C N 4.767 123.954 119.300 -0.188 0.000 2.499 444 C HA 0.400 4.860 4.460 -0.000 0.000 0.386 444 C C 1.560 176.261 174.990 -0.482 0.000 1.293 444 C CA -0.482 58.199 59.018 -0.561 0.000 1.884 444 C CB -1.630 25.733 27.740 -0.628 0.000 2.509 444 C HN 0.966 nan 8.230 nan 0.000 0.566 445 L N 4.520 125.402 121.223 -0.569 0.000 2.590 445 L HA 0.136 4.476 4.340 -0.000 0.000 0.227 445 L C 1.967 178.528 176.870 -0.515 0.000 1.099 445 L CA 0.565 55.147 54.840 -0.429 0.000 0.872 445 L CB -0.168 41.681 42.059 -0.349 0.000 1.088 445 L HN 0.846 nan 8.230 nan 0.000 0.479 446 S N -3.271 111.998 115.700 -0.717 0.000 2.604 446 S HA 0.012 4.482 4.470 -0.000 0.000 0.235 446 S C 1.700 175.867 174.600 -0.723 0.000 1.043 446 S CA -0.155 57.498 58.200 -0.912 0.000 0.997 446 S CB -0.287 61.958 63.200 -1.593 0.000 0.956 446 S HN 0.275 nan 8.310 nan 0.000 0.535 447 C N 2.499 121.372 119.300 -0.712 0.000 2.413 447 C HA 0.042 4.502 4.460 -0.000 0.000 0.276 447 C C 2.324 177.049 174.990 -0.442 0.000 1.248 447 C CA 0.971 59.517 59.018 -0.786 0.000 1.742 447 C CB -0.786 26.311 27.740 -1.071 0.000 2.017 447 C HN 0.589 nan 8.230 nan 0.000 0.481 448 E N 0.185 120.204 120.200 -0.302 0.000 2.481 448 E HA 0.186 4.536 4.350 -0.000 0.000 0.198 448 E C 1.888 178.437 176.600 -0.084 0.000 1.027 448 E CA -0.020 56.294 56.400 -0.144 0.000 0.900 448 E CB -0.186 29.448 29.700 -0.111 0.000 0.993 448 E HN 0.644 nan 8.360 nan 0.000 0.482 449 L N 0.467 121.634 121.223 -0.093 0.000 2.083 449 L HA -0.068 4.272 4.340 -0.000 0.000 0.209 449 L C 0.892 177.773 176.870 0.018 0.000 1.083 449 L CA 0.928 55.757 54.840 -0.020 0.000 0.752 449 L CB -0.049 42.017 42.059 0.013 0.000 0.899 449 L HN 0.027 nan 8.230 nan 0.000 0.433 450 N N -1.590 117.128 118.700 0.030 0.000 3.357 450 N HA 0.069 4.809 4.740 -0.000 0.000 0.206 450 N C -2.214 173.317 175.510 0.035 0.000 1.458 450 N CA -0.707 52.358 53.050 0.026 0.000 0.776 450 N CB 0.945 39.443 38.487 0.020 0.000 1.626 450 N HN -0.242 nan 8.380 nan 0.000 0.644 451 P HA -0.090 nan 4.420 nan 0.000 0.217 451 P C 0.901 178.241 177.300 0.066 0.000 1.150 451 P CA 1.177 64.320 63.100 0.071 0.000 0.832 451 P CB 0.771 32.525 31.700 0.090 0.000 0.787 452 E N -0.737 119.486 120.200 0.037 0.000 2.150 452 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 452 E C 2.350 178.952 176.600 0.003 0.000 0.985 452 E CA 0.767 57.181 56.400 0.022 0.000 0.814 452 E CB -0.146 29.559 29.700 0.009 0.000 0.752 452 E HN 0.069 nan 8.360 nan 0.000 0.466 453 R N -1.105 119.388 120.500 -0.012 0.000 2.206 453 R HA 0.170 4.510 4.340 -0.000 0.000 0.198 453 R C -0.450 175.812 176.300 -0.064 0.000 0.986 453 R CA 0.364 56.435 56.100 -0.049 0.000 1.029 453 R CB 0.546 30.807 30.300 -0.066 0.000 0.966 453 R HN 0.092 nan 8.270 nan 0.000 0.487 454 c N 0.855 119.435 118.600 -0.033 0.000 2.356 454 c HA 0.423 4.993 4.570 -0.000 0.000 0.324 454 c C 0.033 174.144 174.090 0.035 0.000 1.167 454 c CA -0.599 55.678 56.329 -0.088 0.000 1.420 454 c CB 1.379 43.827 42.510 -0.104 0.000 2.036 454 c HN 0.520 nan 8.230 nan 0.000 0.435 455 Q N 0.552 120.361 119.800 0.015 0.000 2.081 455 Q HA 0.216 4.556 4.340 -0.000 0.000 0.220 455 Q C -1.024 175.062 176.000 0.143 0.000 0.775 455 Q CA 0.083 55.961 55.803 0.123 0.000 0.983 455 Q CB 1.319 30.136 28.738 0.131 0.000 1.188 455 Q HN 0.781 nan 8.270 nan 0.000 0.458 456 Y N 0.332 120.568 120.300 -0.106 0.000 2.333 456 Y HA 0.400 4.950 4.550 0.000 0.000 0.324 456 Y C -1.687 174.083 175.900 -0.216 0.000 1.033 456 Y CA -0.984 57.061 58.100 -0.092 0.000 1.224 456 Y CB 0.804 39.209 38.460 -0.092 0.000 1.120 456 Y HN -0.084 nan 8.280 nan 0.000 0.457 457 Y N 2.522 122.762 120.300 -0.101 0.000 2.468 457 Y HA 0.669 5.219 4.550 0.000 0.000 0.342 457 Y C 0.166 176.025 175.900 -0.069 0.000 1.021 457 Y CA -0.504 57.549 58.100 -0.078 0.000 1.079 457 Y CB 2.308 40.679 38.460 -0.148 0.000 1.226 457 Y HN 0.546 nan 8.280 nan 0.000 0.460 458 S N 0.812 116.603 115.700 0.152 0.000 2.667 458 S HA 0.885 5.355 4.470 -0.000 0.000 0.292 458 S C -1.636 173.046 174.600 0.137 0.000 1.126 458 S CA -0.811 57.468 58.200 0.131 0.000 0.881 458 S CB 1.941 65.227 63.200 0.144 0.000 1.132 458 S HN 0.544 nan 8.310 nan 0.000 0.492 459 V N 0.269 120.269 119.914 0.143 0.000 3.049 459 V HA 0.841 4.961 4.120 -0.000 0.000 0.309 459 V C -1.227 174.979 176.094 0.186 0.000 1.148 459 V CA -0.262 62.108 62.300 0.116 0.000 0.990 459 V CB 2.363 34.203 31.823 0.029 0.000 1.039 459 V HN 1.157 nan 8.190 nan 0.000 0.430 460 S N 4.475 120.278 115.700 0.171 0.000 2.647 460 S HA 0.745 5.215 4.470 -0.000 0.000 0.300 460 S C -1.474 173.307 174.600 0.301 0.000 1.129 460 S CA -0.320 58.077 58.200 0.328 0.000 1.029 460 S CB 0.819 64.248 63.200 0.380 0.000 1.007 460 S HN 0.479 nan 8.310 nan 0.000 0.484 461 F N 3.167 123.224 119.950 0.179 0.000 2.443 461 F HA 0.464 4.991 4.527 -0.000 0.000 0.335 461 F C 1.127 176.554 175.800 -0.621 0.000 1.104 461 F CA -0.371 57.545 58.000 -0.139 0.000 1.013 461 F CB 1.944 40.850 39.000 -0.156 0.000 1.136 461 F HN 0.664 nan 8.300 nan 0.000 0.470 462 S N 2.442 117.479 115.700 -1.106 0.000 2.587 462 S HA 0.190 4.660 4.470 -0.000 0.000 0.260 462 S C -0.063 174.362 174.600 -0.292 0.000 1.353 462 S CA -0.881 56.600 58.200 -1.197 0.000 0.995 462 S CB 0.386 62.891 63.200 -1.157 0.000 0.912 462 S HN 0.612 nan 8.310 nan 0.000 0.568 463 K N 1.323 121.675 120.400 -0.080 0.000 2.524 463 K HA -0.012 4.308 4.320 -0.000 0.000 0.279 463 K C 0.383 176.993 176.600 0.016 0.000 0.993 463 K CA 0.880 57.189 56.287 0.037 0.000 1.030 463 K CB -0.143 32.419 32.500 0.104 0.000 0.891 463 K HN 0.791 nan 8.250 nan 0.000 0.488 464 E N 1.405 121.623 120.200 0.030 0.000 2.883 464 E HA -0.319 4.031 4.350 -0.000 0.000 0.271 464 E C -0.154 176.435 176.600 -0.019 0.000 1.049 464 E CA 0.397 56.810 56.400 0.022 0.000 0.817 464 E CB -1.691 28.035 29.700 0.043 0.000 1.407 464 E HN 0.802 nan 8.360 nan 0.000 0.434 465 A N -0.481 122.310 122.820 -0.048 0.000 2.596 465 A HA -0.381 3.939 4.320 -0.000 0.000 0.300 465 A C 1.278 178.843 177.584 -0.032 0.000 1.495 465 A CA 2.076 54.100 52.037 -0.022 0.000 0.769 465 A CB -1.349 17.466 19.000 -0.308 0.000 1.047 465 A HN 0.430 nan 8.150 nan 0.000 0.436 466 K N -1.557 118.767 120.400 -0.127 0.000 2.137 466 K HA 0.195 4.515 4.320 -0.000 0.000 0.202 466 K C 0.092 176.288 176.600 -0.673 0.000 1.052 466 K CA 1.371 57.447 56.287 -0.352 0.000 0.961 466 K CB 0.091 32.409 32.500 -0.304 0.000 0.741 466 K HN 0.706 nan 8.250 nan 0.000 0.452 467 Y N -0.859 119.359 120.300 -0.136 0.000 2.553 467 Y HA 0.320 4.870 4.550 -0.000 0.000 0.347 467 Y C -1.108 174.646 175.900 -0.243 0.000 1.019 467 Y CA -1.467 56.525 58.100 -0.179 0.000 1.032 467 Y CB 1.675 40.065 38.460 -0.118 0.000 1.284 467 Y HN -0.074 nan 8.280 nan 0.000 0.466 468 Y N -0.759 119.475 120.300 -0.109 0.000 2.492 468 Y HA 0.526 5.076 4.550 -0.000 0.000 0.346 468 Y C -0.971 174.958 175.900 0.047 0.000 0.997 468 Y CA -1.591 56.307 58.100 -0.336 0.000 1.025 468 Y CB 1.437 39.154 38.460 -1.240 0.000 1.263 468 Y HN 0.594 nan 8.280 nan 0.000 0.454 469 Q N 4.163 124.112 119.800 0.249 0.000 2.303 469 Q HA 0.507 4.847 4.340 -0.000 0.000 0.257 469 Q C -1.704 174.400 176.000 0.174 0.000 0.941 469 Q CA -0.531 55.379 55.803 0.179 0.000 0.931 469 Q CB 1.066 29.871 28.738 0.111 0.000 1.215 469 Q HN 0.977 nan 8.270 nan 0.000 0.437 470 L N 3.981 125.326 121.223 0.202 0.000 2.334 470 L HA 0.530 4.870 4.340 -0.000 0.000 0.277 470 L C 0.051 176.978 176.870 0.095 0.000 1.075 470 L CA -0.507 54.449 54.840 0.192 0.000 0.804 470 L CB 1.359 43.560 42.059 0.237 0.000 1.174 470 L HN 0.623 nan 8.230 nan 0.000 0.438 471 R N 2.912 123.427 120.500 0.025 0.000 2.422 471 R HA 0.327 4.667 4.340 -0.000 0.000 0.307 471 R C -1.179 174.908 176.300 -0.356 0.000 1.004 471 R CA -0.511 55.406 56.100 -0.306 0.000 0.882 471 R CB 1.295 31.489 30.300 -0.177 0.000 1.164 471 R HN 0.726 nan 8.270 nan 0.000 0.489 472 c N 2.846 121.118 118.600 -0.546 0.000 2.536 472 c HA 0.440 5.010 4.570 -0.000 0.000 0.396 472 c C 0.942 174.795 174.090 -0.396 0.000 1.279 472 c CA -0.095 55.844 56.329 -0.649 0.000 2.148 472 c CB 0.994 43.146 42.510 -0.597 0.000 2.584 472 c HN 1.005 nan 8.230 nan 0.000 0.579 473 S N 2.297 117.844 115.700 -0.256 0.000 2.593 473 S HA 0.482 4.952 4.470 -0.000 0.000 0.235 473 S C 0.452 174.998 174.600 -0.090 0.000 1.059 473 S CA 0.382 58.500 58.200 -0.137 0.000 0.953 473 S CB 0.757 63.888 63.200 -0.114 0.000 0.897 473 S HN 1.270 nan 8.310 nan 0.000 0.507 474 G N 1.459 110.204 108.800 -0.092 0.000 2.441 474 G HA2 0.416 4.376 3.960 -0.000 0.000 0.294 474 G HA3 0.416 4.376 3.960 -0.000 0.000 0.294 474 G C -2.973 171.909 174.900 -0.029 0.000 1.393 474 G CA -0.657 44.426 45.100 -0.029 0.000 0.796 474 G HN -0.184 nan 8.290 nan 0.000 0.494 475 P HA 0.141 nan 4.420 nan 0.000 0.236 475 P C 1.253 178.554 177.300 0.002 0.000 1.177 475 P CA 1.081 64.201 63.100 0.034 0.000 0.773 475 P CB 0.390 32.111 31.700 0.035 0.000 0.878 476 G N 0.397 109.140 108.800 -0.095 0.000 2.535 476 G HA2 0.400 4.360 3.960 -0.000 0.000 0.282 476 G HA3 0.400 4.360 3.960 -0.000 0.000 0.282 476 G C -0.285 174.388 174.900 -0.379 0.000 1.350 476 G CA -0.719 44.245 45.100 -0.226 0.000 1.039 476 G HN 0.043 nan 8.290 nan 0.000 0.509 477 L N 1.089 122.024 121.223 -0.479 0.000 2.456 477 L HA 0.188 4.528 4.340 -0.000 0.000 0.272 477 L C -1.879 174.856 176.870 -0.225 0.000 1.189 477 L CA -1.347 53.216 54.840 -0.461 0.000 0.846 477 L CB 0.583 42.416 42.059 -0.376 0.000 1.111 477 L HN 0.239 nan 8.230 nan 0.000 0.475 478 P HA 0.079 nan 4.420 nan 0.000 0.266 478 P C -0.878 176.357 177.300 -0.108 0.000 1.195 478 P CA 0.134 63.161 63.100 -0.122 0.000 0.768 478 P CB 0.559 32.263 31.700 0.007 0.000 0.838 479 L N 3.739 124.817 121.223 -0.242 0.000 2.441 479 L HA 0.403 4.743 4.340 -0.000 0.000 0.270 479 L C -1.368 175.357 176.870 -0.243 0.000 0.973 479 L CA -0.789 53.965 54.840 -0.145 0.000 0.842 479 L CB 1.139 43.122 42.059 -0.125 0.000 1.239 479 L HN 0.349 nan 8.230 nan 0.000 0.406 480 Y N 2.209 122.461 120.300 -0.080 0.000 2.331 480 Y HA 0.515 5.065 4.550 -0.000 0.000 0.338 480 Y C 0.648 176.443 175.900 -0.175 0.000 0.976 480 Y CA -0.491 57.545 58.100 -0.107 0.000 1.137 480 Y CB 2.006 40.384 38.460 -0.136 0.000 1.172 480 Y HN 0.486 nan 8.280 nan 0.000 0.478 481 T N 1.041 115.597 114.554 0.003 0.000 2.916 481 T HA 0.729 5.079 4.350 -0.000 0.000 0.292 481 T C -1.367 173.248 174.700 -0.142 0.000 1.064 481 T CA -0.929 61.109 62.100 -0.103 0.000 1.011 481 T CB 2.124 70.968 68.868 -0.039 0.000 1.152 481 T HN 0.338 nan 8.240 nan 0.000 0.510 482 L N 1.331 122.357 121.223 -0.330 0.000 2.346 482 L HA 0.690 5.030 4.340 -0.000 0.000 0.276 482 L C -1.234 175.323 176.870 -0.522 0.000 1.006 482 L CA -0.314 54.369 54.840 -0.262 0.000 0.817 482 L CB 1.530 43.488 42.059 -0.168 0.000 1.272 482 L HN 0.863 nan 8.230 nan 0.000 0.421 483 H N 0.608 119.483 119.070 -0.325 0.000 2.865 483 H HA 0.645 5.201 4.556 -0.000 0.000 0.372 483 H C -0.974 174.150 175.328 -0.339 0.000 1.173 483 H CA -0.691 55.071 56.048 -0.476 0.000 1.147 483 H CB 2.023 31.197 29.762 -0.979 0.000 1.805 483 H HN 0.468 nan 8.280 nan 0.000 0.553 484 S N 0.121 115.776 115.700 -0.075 0.000 2.451 484 S HA 0.234 4.704 4.470 -0.000 0.000 0.301 484 S C 0.528 175.089 174.600 -0.065 0.000 1.116 484 S CA -0.599 57.576 58.200 -0.041 0.000 1.093 484 S CB 0.930 64.157 63.200 0.046 0.000 1.017 484 S HN 0.635 nan 8.310 nan 0.000 0.482 485 S N 3.365 119.025 115.700 -0.067 0.000 2.453 485 S HA -0.056 4.414 4.470 -0.000 0.000 0.231 485 S C 1.883 176.535 174.600 0.086 0.000 1.005 485 S CA 0.637 58.931 58.200 0.157 0.000 0.949 485 S CB -0.217 63.074 63.200 0.152 0.000 0.774 485 S HN 0.606 nan 8.310 nan 0.000 0.510 486 V N 2.428 122.340 119.914 -0.003 0.000 2.219 486 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 486 V C 1.141 177.257 176.094 0.036 0.000 1.053 486 V CA 1.959 64.270 62.300 0.018 0.000 1.009 486 V CB -0.489 31.327 31.823 -0.012 0.000 0.636 486 V HN 0.504 nan 8.190 nan 0.000 0.445 487 N N -1.207 117.509 118.700 0.027 0.000 2.238 487 N HA 0.140 4.880 4.740 -0.000 0.000 0.235 487 N C -0.767 174.759 175.510 0.026 0.000 1.209 487 N CA -0.008 53.056 53.050 0.024 0.000 0.879 487 N CB 0.559 39.058 38.487 0.020 0.000 1.136 487 N HN 0.316 nan 8.380 nan 0.000 0.517 488 D N 0.849 121.282 120.400 0.054 0.000 2.686 488 D HA -0.208 4.432 4.640 -0.000 0.000 0.235 488 D C -0.194 176.148 176.300 0.070 0.000 1.160 488 D CA 1.058 55.113 54.000 0.092 0.000 0.645 488 D CB -0.683 40.161 40.800 0.073 0.000 1.039 488 D HN 0.423 nan 8.370 nan 0.000 0.423 489 K N 0.474 120.901 120.400 0.045 0.000 2.234 489 K HA 0.401 4.721 4.320 -0.000 0.000 0.282 489 K C 0.837 177.445 176.600 0.013 0.000 1.039 489 K CA -0.230 56.074 56.287 0.027 0.000 0.928 489 K CB 0.944 33.447 32.500 0.006 0.000 1.039 489 K HN 0.144 nan 8.250 nan 0.000 0.470 490 G N 4.105 112.901 108.800 -0.007 0.000 2.354 490 G HA2 0.115 4.075 3.960 -0.000 0.000 0.266 490 G HA3 0.115 4.075 3.960 -0.000 0.000 0.266 490 G C 0.666 175.445 174.900 -0.202 0.000 1.242 490 G CA -0.282 44.702 45.100 -0.193 0.000 0.923 490 G HN 0.650 nan 8.290 nan 0.000 0.476 491 L N 1.821 122.872 121.223 -0.287 0.000 2.185 491 L HA 0.348 4.688 4.340 -0.000 0.000 0.198 491 L C 1.517 178.287 176.870 -0.166 0.000 1.079 491 L CA 0.663 55.398 54.840 -0.175 0.000 0.780 491 L CB 0.076 42.047 42.059 -0.147 0.000 0.955 491 L HN 0.410 nan 8.230 nan 0.000 0.462 492 R N -1.057 119.309 120.500 -0.224 0.000 2.604 492 R HA 0.447 4.787 4.340 -0.000 0.000 0.270 492 R C -1.493 174.673 176.300 -0.223 0.000 1.052 492 R CA -0.532 55.458 56.100 -0.183 0.000 0.902 492 R CB 2.709 32.911 30.300 -0.163 0.000 1.233 492 R HN -0.253 nan 8.270 nan 0.000 0.455 493 V N 5.592 125.402 119.914 -0.174 0.000 2.408 493 V HA 0.153 4.273 4.120 -0.000 0.000 0.267 493 V C 1.047 177.008 176.094 -0.221 0.000 1.047 493 V CA -0.017 62.183 62.300 -0.167 0.000 0.937 493 V CB 1.224 32.983 31.823 -0.106 0.000 0.999 493 V HN 0.739 nan 8.190 nan 0.000 0.472 494 L N 2.762 123.789 121.223 -0.327 0.000 2.168 494 L HA 0.284 4.624 4.340 -0.000 0.000 0.203 494 L C 0.789 177.391 176.870 -0.448 0.000 1.078 494 L CA 0.763 55.236 54.840 -0.611 0.000 0.780 494 L CB 0.238 41.575 42.059 -1.204 0.000 0.939 494 L HN 0.643 nan 8.230 nan 0.000 0.451 495 E N -0.204 119.869 120.200 -0.211 0.000 2.291 495 E HA 0.096 4.446 4.350 -0.000 0.000 0.276 495 E C -1.009 175.631 176.600 0.066 0.000 0.896 495 E CA -0.322 56.065 56.400 -0.022 0.000 0.774 495 E CB 1.214 30.930 29.700 0.026 0.000 1.227 495 E HN 0.166 nan 8.360 nan 0.000 0.413 496 D N 3.362 123.781 120.400 0.033 0.000 2.469 496 D HA 0.072 4.712 4.640 -0.000 0.000 0.213 496 D C -0.348 175.962 176.300 0.017 0.000 1.135 496 D CA -0.217 53.794 54.000 0.019 0.000 0.834 496 D CB 0.006 40.797 40.800 -0.014 0.000 1.009 496 D HN 0.477 nan 8.370 nan 0.000 0.507 497 N N 0.828 119.553 118.700 0.042 0.000 2.735 497 N HA -0.181 4.559 4.740 -0.000 0.000 0.248 497 N C 0.866 176.382 175.510 0.011 0.000 1.083 497 N CA 0.922 53.995 53.050 0.038 0.000 0.703 497 N CB -1.362 37.148 38.487 0.039 0.000 1.005 497 N HN 0.482 nan 8.380 nan 0.000 0.550 498 S N -1.645 114.061 115.700 0.010 0.000 2.461 498 S HA 0.143 4.613 4.470 -0.000 0.000 0.228 498 S C 1.997 176.607 174.600 0.017 0.000 1.005 498 S CA 0.549 58.750 58.200 0.001 0.000 0.942 498 S CB 0.204 63.403 63.200 -0.002 0.000 0.776 498 S HN 0.468 nan 8.310 nan 0.000 0.514 499 A N 1.788 124.629 122.820 0.034 0.000 1.969 499 A HA 0.239 4.559 4.320 -0.000 0.000 0.218 499 A C 2.147 179.774 177.584 0.071 0.000 1.169 499 A CA 0.884 52.951 52.037 0.051 0.000 0.635 499 A CB -0.644 18.390 19.000 0.057 0.000 0.810 499 A HN 0.532 nan 8.150 nan 0.000 0.445 500 L N -0.725 120.538 121.223 0.068 0.000 2.109 500 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 500 L C 2.118 179.008 176.870 0.033 0.000 1.086 500 L CA 2.191 57.082 54.840 0.085 0.000 0.760 500 L CB -0.339 41.770 42.059 0.082 0.000 0.910 500 L HN 0.477 nan 8.230 nan 0.000 0.437 501 D N -0.212 120.185 120.400 -0.005 0.000 2.117 501 D HA -0.206 4.434 4.640 -0.000 0.000 0.198 501 D C 2.208 178.498 176.300 -0.016 0.000 0.982 501 D CA 1.194 55.172 54.000 -0.037 0.000 0.828 501 D CB 0.231 41.000 40.800 -0.051 0.000 0.967 501 D HN 0.064 nan 8.370 nan 0.000 0.464 502 K N -0.526 119.879 120.400 0.009 0.000 2.057 502 K HA -0.077 4.243 4.320 -0.000 0.000 0.206 502 K C 2.222 178.842 176.600 0.032 0.000 1.050 502 K CA 0.856 57.155 56.287 0.019 0.000 0.935 502 K CB -0.085 32.434 32.500 0.030 0.000 0.715 502 K HN 0.251 nan 8.250 nan 0.000 0.439 503 M N 0.598 120.234 119.600 0.060 0.000 2.159 503 M HA -0.173 4.307 4.480 -0.000 0.000 0.263 503 M C 1.928 178.217 176.300 -0.018 0.000 1.063 503 M CA 1.430 56.790 55.300 0.100 0.000 1.110 503 M CB -0.121 32.617 32.600 0.230 0.000 1.374 503 M HN 0.173 nan 8.290 nan 0.000 0.411 504 L N -0.763 120.417 121.223 -0.070 0.000 2.395 504 L HA -0.155 4.185 4.340 -0.000 0.000 0.218 504 L C 2.129 178.948 176.870 -0.084 0.000 1.130 504 L CA 0.773 55.528 54.840 -0.141 0.000 0.826 504 L CB -0.494 41.500 42.059 -0.108 0.000 0.941 504 L HN 0.410 nan 8.230 nan 0.000 0.451 505 Q N -0.152 119.623 119.800 -0.042 0.000 2.291 505 Q HA -0.103 4.237 4.340 -0.000 0.000 0.205 505 Q C 1.415 177.412 176.000 -0.006 0.000 0.970 505 Q CA 0.775 56.566 55.803 -0.020 0.000 0.876 505 Q CB 0.137 28.871 28.738 -0.006 0.000 0.935 505 Q HN 0.486 nan 8.270 nan 0.000 0.455 506 N N -0.315 118.385 118.700 -0.001 0.000 2.398 506 N HA 0.008 4.748 4.740 -0.000 0.000 0.188 506 N C -0.259 175.265 175.510 0.022 0.000 1.122 506 N CA 0.211 53.277 53.050 0.027 0.000 0.866 506 N CB 0.999 39.524 38.487 0.063 0.000 0.970 506 N HN 0.012 nan 8.380 nan 0.000 0.462 507 V N 0.612 120.513 119.914 -0.022 0.000 2.914 507 V HA 0.244 4.364 4.120 -0.000 0.000 0.314 507 V C -0.722 175.361 176.094 -0.018 0.000 1.084 507 V CA -0.742 61.549 62.300 -0.015 0.000 0.963 507 V CB 2.472 34.243 31.823 -0.086 0.000 1.025 507 V HN -0.054 nan 8.190 nan 0.000 0.432 508 Q N 4.991 124.793 119.800 0.004 0.000 2.664 508 Q HA 0.305 4.645 4.340 -0.000 0.000 0.223 508 Q C -0.523 175.447 176.000 -0.050 0.000 1.298 508 Q CA -0.275 55.504 55.803 -0.040 0.000 0.965 508 Q CB 0.407 29.124 28.738 -0.034 0.000 1.510 508 Q HN 0.568 nan 8.270 nan 0.000 0.567 509 M N 3.582 123.141 119.600 -0.068 0.000 2.217 509 M HA 0.276 4.756 4.480 -0.000 0.000 0.354 509 M C -1.939 174.303 176.300 -0.096 0.000 1.225 509 M CA -2.369 52.886 55.300 -0.075 0.000 1.137 509 M CB 0.043 32.608 32.600 -0.058 0.000 1.576 509 M HN 0.292 nan 8.290 nan 0.000 0.461 510 P HA 0.252 nan 4.420 nan 0.000 0.274 510 P C -0.833 176.401 177.300 -0.110 0.000 1.256 510 P CA -0.389 62.635 63.100 -0.126 0.000 0.795 510 P CB 0.530 32.141 31.700 -0.149 0.000 1.038 511 S N -0.739 114.881 115.700 -0.133 0.000 2.607 511 S HA 0.594 5.064 4.470 -0.000 0.000 0.303 511 S C -0.436 174.078 174.600 -0.144 0.000 1.086 511 S CA -0.845 57.286 58.200 -0.115 0.000 0.995 511 S CB 1.761 64.891 63.200 -0.117 0.000 1.084 511 S HN 0.378 nan 8.310 nan 0.000 0.507 512 K N 0.631 120.970 120.400 -0.101 0.000 2.130 512 K HA 0.417 4.737 4.320 -0.000 0.000 0.268 512 K C -0.878 175.653 176.600 -0.115 0.000 0.983 512 K CA -0.526 55.700 56.287 -0.101 0.000 0.893 512 K CB 0.900 33.370 32.500 -0.049 0.000 1.066 512 K HN 0.552 nan 8.250 nan 0.000 0.450 513 K N 4.655 124.973 120.400 -0.137 0.000 2.450 513 K HA 0.317 4.637 4.320 -0.000 0.000 0.257 513 K C -1.518 174.997 176.600 -0.142 0.000 0.953 513 K CA -0.563 55.635 56.287 -0.147 0.000 0.844 513 K CB 1.007 33.385 32.500 -0.203 0.000 1.103 513 K HN 0.576 nan 8.250 nan 0.000 0.429 514 L N 4.485 125.657 121.223 -0.086 0.000 2.319 514 L HA 0.428 4.768 4.340 -0.000 0.000 0.281 514 L C -0.785 176.081 176.870 -0.007 0.000 1.005 514 L CA -0.075 54.756 54.840 -0.015 0.000 0.828 514 L CB 1.029 43.153 42.059 0.109 0.000 1.227 514 L HN 0.767 nan 8.230 nan 0.000 0.415 515 D N 2.780 123.048 120.400 -0.221 0.000 2.825 515 D HA 0.447 5.087 4.640 -0.000 0.000 0.327 515 D C -1.552 174.486 176.300 -0.437 0.000 1.277 515 D CA -0.125 53.654 54.000 -0.368 0.000 0.950 515 D CB 2.624 43.171 40.800 -0.422 0.000 1.438 515 D HN 0.215 nan 8.370 nan 0.000 0.526 516 F N -0.043 119.653 119.950 -0.425 0.000 2.620 516 F HA 0.733 5.260 4.527 -0.000 0.000 0.320 516 F C -0.477 175.428 175.800 0.174 0.000 1.069 516 F CA -0.974 56.855 58.000 -0.285 0.000 0.953 516 F CB 0.736 39.124 39.000 -1.018 0.000 1.322 516 F HN 0.230 nan 8.300 nan 0.000 0.479 517 I N -0.293 120.568 120.570 0.486 0.000 3.108 517 I HA 0.652 4.822 4.170 -0.000 0.000 0.312 517 I C -1.198 175.128 176.117 0.349 0.000 1.095 517 I CA -1.298 60.193 61.300 0.317 0.000 1.000 517 I CB 2.149 40.226 38.000 0.129 0.000 1.229 517 I HN 0.415 nan 8.210 nan 0.000 0.454 518 I N 3.547 124.257 120.570 0.233 0.000 2.359 518 I HA 0.466 4.636 4.170 -0.000 0.000 0.294 518 I C -0.807 175.428 176.117 0.197 0.000 0.987 518 I CA -0.432 60.990 61.300 0.204 0.000 1.225 518 I CB 1.319 39.401 38.000 0.136 0.000 1.366 518 I HN 0.416 nan 8.210 nan 0.000 0.466 519 L N 6.648 128.044 121.223 0.288 0.000 2.404 519 L HA 0.434 4.774 4.340 -0.000 0.000 0.272 519 L C 0.148 177.150 176.870 0.220 0.000 0.980 519 L CA -0.166 54.825 54.840 0.252 0.000 0.836 519 L CB 0.964 43.221 42.059 0.329 0.000 1.238 519 L HN 0.453 nan 8.230 nan 0.000 0.408 520 N N 3.828 122.596 118.700 0.114 0.000 2.699 520 N HA -0.248 4.492 4.740 -0.000 0.000 0.256 520 N C 0.115 175.669 175.510 0.074 0.000 0.993 520 N CA 1.389 54.485 53.050 0.077 0.000 0.759 520 N CB -0.501 38.023 38.487 0.061 0.000 0.906 520 N HN 0.873 nan 8.380 nan 0.000 0.541 521 E N -4.263 115.977 120.200 0.067 0.000 3.628 521 E HA -0.216 4.134 4.350 -0.000 0.000 0.309 521 E C -0.482 176.126 176.600 0.013 0.000 0.839 521 E CA 1.315 57.738 56.400 0.038 0.000 1.123 521 E CB -1.645 28.067 29.700 0.020 0.000 1.568 521 E HN 0.509 nan 8.360 nan 0.000 0.440 522 T N 0.478 115.049 114.554 0.027 0.000 2.912 522 T HA 0.452 4.802 4.350 -0.000 0.000 0.288 522 T C -0.016 174.585 174.700 -0.165 0.000 1.030 522 T CA -0.813 61.222 62.100 -0.108 0.000 1.020 522 T CB 2.015 70.777 68.868 -0.176 0.000 1.056 522 T HN -0.015 nan 8.240 nan 0.000 0.480 523 K N 1.306 121.508 120.400 -0.331 0.000 2.258 523 K HA 0.491 4.811 4.320 -0.000 0.000 0.284 523 K C -1.282 175.058 176.600 -0.434 0.000 1.051 523 K CA -0.232 55.863 56.287 -0.320 0.000 0.923 523 K CB 0.496 32.699 32.500 -0.497 0.000 1.046 523 K HN 0.386 nan 8.250 nan 0.000 0.474 524 F N 2.003 122.022 119.950 0.116 0.000 2.518 524 F HA 0.319 4.846 4.527 0.000 0.000 0.323 524 F C -0.634 175.318 175.800 0.253 0.000 1.129 524 F CA -0.749 57.362 58.000 0.186 0.000 0.920 524 F CB 1.025 40.172 39.000 0.245 0.000 1.160 524 F HN 0.433 nan 8.300 nan 0.000 0.440 525 W N 4.038 125.539 121.300 0.336 0.000 2.376 525 W HA 0.505 5.165 4.660 -0.000 0.000 0.322 525 W C -0.572 176.201 176.519 0.424 0.000 1.160 525 W CA -0.476 57.091 57.345 0.370 0.000 1.218 525 W CB 0.736 30.329 29.460 0.223 0.000 1.205 525 W HN 0.435 nan 8.180 nan 0.000 0.559 526 Y N -0.090 120.561 120.300 0.586 0.000 2.638 526 Y HA 0.699 5.249 4.550 -0.000 0.000 0.339 526 Y C -0.810 175.337 175.900 0.412 0.000 1.084 526 Y CA -1.963 56.483 58.100 0.577 0.000 1.068 526 Y CB 1.049 40.016 38.460 0.845 0.000 1.294 526 Y HN 0.567 nan 8.280 nan 0.000 0.480 527 Q N 1.753 121.746 119.800 0.321 0.000 2.451 527 Q HA 0.787 5.127 4.340 -0.000 0.000 0.281 527 Q C -1.725 174.359 176.000 0.141 0.000 1.099 527 Q CA -1.182 54.678 55.803 0.095 0.000 0.806 527 Q CB 3.303 32.098 28.738 0.095 0.000 1.419 527 Q HN 0.856 nan 8.270 nan 0.000 0.427 528 M N 2.021 121.623 119.600 0.004 0.000 2.326 528 M HA 0.428 4.908 4.480 -0.000 0.000 0.292 528 M C -1.535 174.690 176.300 -0.125 0.000 1.081 528 M CA -0.715 54.553 55.300 -0.054 0.000 0.919 528 M CB 2.349 34.890 32.600 -0.099 0.000 1.634 528 M HN 0.632 nan 8.290 nan 0.000 0.451 529 I N 4.496 124.993 120.570 -0.121 0.000 2.304 529 I HA 0.355 4.525 4.170 -0.000 0.000 0.291 529 I C -0.750 175.227 176.117 -0.233 0.000 1.018 529 I CA 0.025 61.228 61.300 -0.162 0.000 1.260 529 I CB 0.636 38.559 38.000 -0.127 0.000 1.390 529 I HN 0.485 nan 8.210 nan 0.000 0.475 530 L N 8.306 129.340 121.223 -0.315 0.000 2.317 530 L HA 0.592 4.932 4.340 -0.000 0.000 0.281 530 L C -2.305 174.390 176.870 -0.291 0.000 1.024 530 L CA -2.049 52.519 54.840 -0.453 0.000 0.810 530 L CB 0.907 42.478 42.059 -0.812 0.000 1.240 530 L HN 0.288 nan 8.230 nan 0.000 0.427 531 P HA 0.037 nan 4.420 nan 0.000 0.268 531 P C -2.442 174.819 177.300 -0.064 0.000 1.208 531 P CA -0.795 62.244 63.100 -0.102 0.000 0.777 531 P CB -0.335 31.356 31.700 -0.015 0.000 0.875 532 P HA -0.071 nan 4.420 nan 0.000 0.265 532 P C -0.478 176.763 177.300 -0.099 0.000 1.193 532 P CA 0.608 63.595 63.100 -0.190 0.000 0.765 532 P CB -0.245 31.277 31.700 -0.295 0.000 0.823 533 H N -1.350 117.760 119.070 0.067 0.000 2.819 533 H HA -0.199 4.357 4.556 -0.000 0.000 0.323 533 H C -0.256 175.140 175.328 0.113 0.000 1.243 533 H CA -0.398 55.694 56.048 0.074 0.000 1.163 533 H CB -2.257 27.540 29.762 0.057 0.000 1.493 533 H HN 0.347 nan 8.280 nan 0.000 0.434 534 F N 2.395 122.362 119.950 0.028 0.000 2.519 534 F HA 0.122 4.649 4.527 -0.000 0.000 0.375 534 F C 0.489 176.306 175.800 0.028 0.000 1.084 534 F CA -0.476 57.488 58.000 -0.061 0.000 1.147 534 F CB 0.393 39.244 39.000 -0.249 0.000 1.088 534 F HN 0.253 nan 8.300 nan 0.000 0.555 535 D N 5.953 126.143 120.400 -0.350 0.000 2.359 535 D HA 0.103 4.743 4.640 -0.000 0.000 0.230 535 D C 0.741 176.711 176.300 -0.549 0.000 1.118 535 D CA -0.434 53.383 54.000 -0.306 0.000 0.844 535 D CB 1.145 41.880 40.800 -0.109 0.000 1.059 535 D HN 0.701 nan 8.370 nan 0.000 0.493 536 K N 0.832 120.951 120.400 -0.468 0.000 2.442 536 K HA -0.085 4.235 4.320 -0.000 0.000 0.198 536 K C 1.244 177.836 176.600 -0.013 0.000 1.042 536 K CA 0.871 56.995 56.287 -0.271 0.000 0.958 536 K CB 0.005 32.496 32.500 -0.015 0.000 0.766 536 K HN 0.192 nan 8.250 nan 0.000 0.474 537 S N -0.348 115.316 115.700 -0.059 0.000 2.501 537 S HA 0.093 4.563 4.470 -0.000 0.000 0.220 537 S C 0.675 175.248 174.600 -0.045 0.000 0.997 537 S CA -0.282 57.904 58.200 -0.023 0.000 0.919 537 S CB 0.049 63.229 63.200 -0.033 0.000 0.778 537 S HN 0.168 nan 8.310 nan 0.000 0.523 538 K N 1.247 121.593 120.400 -0.090 0.000 2.117 538 K HA 0.445 4.765 4.320 -0.000 0.000 0.240 538 K C -0.529 175.984 176.600 -0.145 0.000 1.031 538 K CA -0.224 55.954 56.287 -0.181 0.000 0.909 538 K CB 0.510 32.804 32.500 -0.344 0.000 1.097 538 K HN 0.074 nan 8.250 nan 0.000 0.492 539 K N 1.229 121.462 120.400 -0.279 0.000 2.345 539 K HA 0.320 4.640 4.320 -0.000 0.000 0.255 539 K C -1.546 174.875 176.600 -0.298 0.000 0.934 539 K CA -0.585 55.612 56.287 -0.149 0.000 0.801 539 K CB 1.251 33.691 32.500 -0.100 0.000 1.137 539 K HN 0.342 nan 8.250 nan 0.000 0.424 540 Y N 2.418 122.738 120.300 0.034 0.000 2.446 540 Y HA 0.327 4.877 4.550 -0.000 0.000 0.345 540 Y C -2.095 173.752 175.900 -0.088 0.000 0.984 540 Y CA -2.590 55.516 58.100 0.010 0.000 1.058 540 Y CB 1.269 39.806 38.460 0.128 0.000 1.220 540 Y HN 0.463 nan 8.280 nan 0.000 0.455 541 P HA 0.138 nan 4.420 nan 0.000 0.272 541 P C -1.060 176.107 177.300 -0.221 0.000 1.223 541 P CA -0.144 62.691 63.100 -0.441 0.000 0.784 541 P CB 1.536 32.629 31.700 -1.013 0.000 0.923 542 L N 2.699 123.808 121.223 -0.191 0.000 2.381 542 L HA 0.466 4.806 4.340 -0.000 0.000 0.274 542 L C -0.932 176.090 176.870 0.253 0.000 0.988 542 L CA -0.869 54.004 54.840 0.054 0.000 0.824 542 L CB 1.430 43.520 42.059 0.053 0.000 1.263 542 L HN 0.245 nan 8.230 nan 0.000 0.410 543 L N 5.660 127.052 121.223 0.281 0.000 2.272 543 L HA 0.403 4.743 4.340 -0.000 0.000 0.289 543 L C -0.988 176.094 176.870 0.354 0.000 1.032 543 L CA -0.870 54.187 54.840 0.361 0.000 0.810 543 L CB 1.652 43.865 42.059 0.257 0.000 1.205 543 L HN 0.606 nan 8.230 nan 0.000 0.422 544 L N 5.373 126.861 121.223 0.441 0.000 2.268 544 L HA 0.286 4.626 4.340 -0.000 0.000 0.289 544 L C -0.233 176.887 176.870 0.416 0.000 1.064 544 L CA 0.073 55.171 54.840 0.430 0.000 0.824 544 L CB 0.652 43.014 42.059 0.505 0.000 1.202 544 L HN 0.446 nan 8.230 nan 0.000 0.433 545 D N 4.296 124.929 120.400 0.388 0.000 2.365 545 D HA 0.189 4.829 4.640 -0.000 0.000 0.237 545 D C -0.958 175.461 176.300 0.198 0.000 1.190 545 D CA 0.149 54.336 54.000 0.312 0.000 0.867 545 D CB 1.156 42.203 40.800 0.410 0.000 1.050 545 D HN 0.324 nan 8.370 nan 0.000 0.491 546 V N 5.676 125.630 119.914 0.067 0.000 2.628 546 V HA 0.377 4.497 4.120 -0.000 0.000 0.306 546 V C -0.756 175.432 176.094 0.156 0.000 1.045 546 V CA -0.421 61.963 62.300 0.141 0.000 0.905 546 V CB 1.703 33.604 31.823 0.129 0.000 0.997 546 V HN 0.631 nan 8.190 nan 0.000 0.436 547 Y N 5.321 125.691 120.300 0.117 0.000 2.817 547 Y HA 0.521 5.071 4.550 -0.000 0.000 0.257 547 Y C 1.611 177.622 175.900 0.185 0.000 1.055 547 Y CA 1.118 59.307 58.100 0.148 0.000 1.319 547 Y CB 0.147 38.681 38.460 0.124 0.000 1.481 547 Y HN 0.954 nan 8.280 nan 0.000 0.471 548 A N 1.069 124.019 122.820 0.218 0.000 2.799 548 A HA -0.166 4.154 4.320 -0.000 0.000 0.287 548 A C 0.894 178.331 177.584 -0.246 0.000 1.484 548 A CA 0.915 53.006 52.037 0.089 0.000 0.813 548 A CB -2.313 16.781 19.000 0.157 0.000 1.009 548 A HN 0.846 nan 8.150 nan 0.000 0.545 549 G N -0.970 107.566 108.800 -0.441 0.000 2.572 549 G HA2 0.506 4.466 3.960 -0.000 0.000 0.261 549 G HA3 0.506 4.466 3.960 -0.000 0.000 0.261 549 G C -2.323 172.370 174.900 -0.346 0.000 1.197 549 G CA -1.074 43.484 45.100 -0.904 0.000 0.870 549 G HN 0.289 nan 8.290 nan 0.000 0.548 550 P HA 0.118 nan 4.420 nan 0.000 0.262 550 P C 0.488 177.714 177.300 -0.124 0.000 1.199 550 P CA 0.071 62.985 63.100 -0.309 0.000 0.763 550 P CB 0.683 31.882 31.700 -0.836 0.000 0.790 551 C N 2.692 121.965 119.300 -0.046 0.000 4.534 551 C HA -0.137 4.323 4.460 -0.000 0.000 0.275 551 C C 0.881 175.925 174.990 0.090 0.000 1.291 551 C CA 1.085 60.032 59.018 -0.119 0.000 1.876 551 C CB -2.663 24.840 27.740 -0.395 0.000 1.339 551 C HN 0.769 nan 8.230 nan 0.000 0.746 552 S N 0.129 115.940 115.700 0.185 0.000 2.632 552 S HA 0.630 5.100 4.470 -0.000 0.000 0.271 552 S C -0.680 174.099 174.600 0.298 0.000 1.260 552 S CA -0.075 58.302 58.200 0.295 0.000 1.010 552 S CB 1.768 65.199 63.200 0.385 0.000 0.965 552 S HN 0.770 nan 8.310 nan 0.000 0.534 553 Q N 0.140 120.129 119.800 0.314 0.000 2.269 553 Q HA 0.385 4.725 4.340 -0.000 0.000 0.263 553 Q C -0.678 175.446 176.000 0.205 0.000 0.983 553 Q CA -0.484 55.488 55.803 0.282 0.000 0.777 553 Q CB 1.205 30.143 28.738 0.332 0.000 1.273 553 Q HN 0.799 nan 8.270 nan 0.000 0.440 554 K N 1.290 121.813 120.400 0.205 0.000 2.402 554 K HA 0.354 4.674 4.320 -0.000 0.000 0.204 554 K C -0.703 176.010 176.600 0.189 0.000 1.056 554 K CA 0.119 56.519 56.287 0.189 0.000 1.069 554 K CB 1.491 34.128 32.500 0.228 0.000 0.888 554 K HN 0.515 nan 8.250 nan 0.000 0.546 555 A N 2.531 125.470 122.820 0.198 0.000 2.285 555 A HA 0.449 4.769 4.320 -0.000 0.000 0.310 555 A C -0.955 176.713 177.584 0.140 0.000 1.266 555 A CA -0.575 51.580 52.037 0.197 0.000 0.832 555 A CB 0.432 19.606 19.000 0.291 0.000 1.163 555 A HN 0.244 nan 8.150 nan 0.000 0.499 556 D N 0.020 120.478 120.400 0.095 0.000 2.825 556 D HA 0.426 5.066 4.640 -0.000 0.000 0.327 556 D C 0.592 176.923 176.300 0.052 0.000 1.277 556 D CA 0.346 54.394 54.000 0.080 0.000 0.950 556 D CB 0.127 40.981 40.800 0.090 0.000 1.438 556 D HN 0.200 nan 8.370 nan 0.000 0.526 557 T N -2.666 111.935 114.554 0.079 0.000 3.060 557 T HA 0.211 4.561 4.350 -0.000 0.000 0.249 557 T C 1.017 175.700 174.700 -0.029 0.000 1.079 557 T CA 0.238 62.373 62.100 0.058 0.000 1.013 557 T CB -0.435 68.510 68.868 0.129 0.000 0.975 557 T HN 0.562 nan 8.240 nan 0.000 0.518 558 V N 1.456 121.249 119.914 -0.201 0.000 2.843 558 V HA 0.451 4.571 4.120 -0.000 0.000 0.305 558 V C -0.100 175.952 176.094 -0.069 0.000 1.065 558 V CA -1.076 61.074 62.300 -0.249 0.000 1.116 558 V CB 0.105 31.600 31.823 -0.547 0.000 0.968 558 V HN 0.384 nan 8.190 nan 0.000 0.487 559 F N 7.180 127.038 119.950 -0.154 0.000 2.424 559 F HA 0.628 5.155 4.527 -0.000 0.000 0.356 559 F C 0.444 176.188 175.800 -0.093 0.000 1.110 559 F CA -0.343 57.591 58.000 -0.111 0.000 1.161 559 F CB 0.407 39.349 39.000 -0.096 0.000 1.115 559 F HN 0.611 nan 8.300 nan 0.000 0.507 560 R N 6.394 126.496 120.500 -0.664 0.000 2.670 560 R HA 0.547 4.887 4.340 -0.000 0.000 0.289 560 R C -1.446 174.437 176.300 -0.696 0.000 0.965 560 R CA -1.056 54.741 56.100 -0.505 0.000 0.899 560 R CB 2.019 32.171 30.300 -0.247 0.000 1.173 560 R HN 0.687 nan 8.270 nan 0.000 0.456 561 L N 4.535 125.517 121.223 -0.402 0.000 2.283 561 L HA 0.389 4.729 4.340 -0.000 0.000 0.281 561 L C -0.060 176.791 176.870 -0.032 0.000 1.033 561 L CA -0.209 54.471 54.840 -0.267 0.000 0.848 561 L CB 0.243 42.281 42.059 -0.037 0.000 1.226 561 L HN 0.804 nan 8.230 nan 0.000 0.429 562 N N -0.315 118.288 118.700 -0.163 0.000 3.479 562 N HA 0.178 4.918 4.740 -0.000 0.000 0.336 562 N C 0.216 175.370 175.510 -0.594 0.000 1.623 562 N CA -0.900 51.943 53.050 -0.345 0.000 0.759 562 N CB 0.581 38.991 38.487 -0.128 0.000 2.016 562 N HN 0.251 nan 8.380 nan 0.000 0.637 563 W N 1.032 121.752 121.300 -0.967 0.000 2.335 563 W HA 0.002 4.662 4.660 0.000 0.000 0.311 563 W C 2.467 178.924 176.519 -0.103 0.000 1.213 563 W CA 2.622 59.644 57.345 -0.539 0.000 1.274 563 W CB -1.023 28.257 29.460 -0.299 0.000 1.148 563 W HN 0.718 nan 8.180 nan 0.000 0.498 564 A N -0.383 122.398 122.820 -0.065 0.000 1.948 564 A HA -0.270 4.050 4.320 -0.000 0.000 0.220 564 A C 1.957 179.440 177.584 -0.168 0.000 1.177 564 A CA 2.896 54.840 52.037 -0.156 0.000 0.636 564 A CB -1.373 17.611 19.000 -0.027 0.000 0.815 564 A HN 0.336 nan 8.150 nan 0.000 0.449 565 T N -1.201 113.262 114.554 -0.152 0.000 2.665 565 T HA -0.250 4.100 4.350 -0.000 0.000 0.268 565 T C 1.817 176.528 174.700 0.020 0.000 1.035 565 T CA 1.856 63.839 62.100 -0.195 0.000 1.151 565 T CB -0.546 68.027 68.868 -0.491 0.000 0.862 565 T HN 0.724 nan 8.240 nan 0.000 0.438 566 Y N 1.818 122.192 120.300 0.125 0.000 2.242 566 Y HA 0.043 4.593 4.550 -0.000 0.000 0.291 566 Y C 1.956 177.856 175.900 -0.001 0.000 1.137 566 Y CA 0.824 59.045 58.100 0.202 0.000 1.181 566 Y CB -0.663 37.920 38.460 0.206 0.000 0.989 566 Y HN 0.117 nan 8.280 nan 0.000 0.527 567 L N 0.173 121.028 121.223 -0.615 0.000 2.131 567 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 567 L C 2.783 179.419 176.870 -0.391 0.000 1.092 567 L CA 1.147 55.551 54.840 -0.728 0.000 0.759 567 L CB -0.823 40.829 42.059 -0.678 0.000 0.903 567 L HN 0.434 nan 8.230 nan 0.000 0.435 568 A N -1.232 121.435 122.820 -0.255 0.000 1.855 568 A HA -0.173 4.147 4.320 -0.000 0.000 0.213 568 A C 2.507 180.026 177.584 -0.109 0.000 1.195 568 A CA 1.678 53.620 52.037 -0.157 0.000 0.610 568 A CB -0.673 18.234 19.000 -0.154 0.000 0.837 568 A HN 0.302 nan 8.150 nan 0.000 0.444 569 S N -1.131 114.521 115.700 -0.081 0.000 2.356 569 S HA -0.124 4.346 4.470 -0.000 0.000 0.223 569 S C 1.999 176.604 174.600 0.009 0.000 1.032 569 S CA 2.324 60.520 58.200 -0.007 0.000 1.005 569 S CB -0.394 62.862 63.200 0.092 0.000 0.867 569 S HN 0.591 nan 8.310 nan 0.000 0.449 570 T N 0.994 115.532 114.554 -0.027 0.000 2.983 570 T HA 0.180 4.530 4.350 -0.000 0.000 0.250 570 T C 1.525 176.193 174.700 -0.053 0.000 1.037 570 T CA 0.552 62.654 62.100 0.003 0.000 1.142 570 T CB -0.106 68.827 68.868 0.108 0.000 0.876 570 T HN 0.256 nan 8.240 nan 0.000 0.455 571 E N 1.325 121.414 120.200 -0.184 0.000 2.400 571 E HA 0.142 4.492 4.350 -0.000 0.000 0.195 571 E C 0.284 176.877 176.600 -0.012 0.000 1.012 571 E CA -0.004 56.324 56.400 -0.119 0.000 0.875 571 E CB -0.110 29.449 29.700 -0.235 0.000 0.859 571 E HN 0.326 nan 8.360 nan 0.000 0.498 572 N N 0.535 119.237 118.700 0.002 0.000 2.758 572 N HA -0.206 4.534 4.740 -0.000 0.000 0.248 572 N C -0.658 174.952 175.510 0.167 0.000 1.076 572 N CA 0.591 53.715 53.050 0.125 0.000 0.696 572 N CB -1.605 37.004 38.487 0.204 0.000 0.979 572 N HN 0.252 nan 8.380 nan 0.000 0.550 573 I N 1.138 121.737 120.570 0.049 0.000 2.336 573 I HA 0.309 4.479 4.170 -0.000 0.000 0.292 573 I C 1.007 177.124 176.117 -0.001 0.000 0.991 573 I CA -0.669 60.669 61.300 0.064 0.000 1.227 573 I CB 1.157 39.201 38.000 0.074 0.000 1.366 573 I HN -0.037 nan 8.210 nan 0.000 0.466 574 I N 6.930 127.511 120.570 0.018 0.000 2.436 574 I HA 0.086 4.256 4.170 -0.000 0.000 0.289 574 I C -0.266 175.846 176.117 -0.009 0.000 1.083 574 I CA -0.241 61.029 61.300 -0.050 0.000 1.372 574 I CB 0.662 38.644 38.000 -0.029 0.000 1.408 574 I HN 0.218 nan 8.210 nan 0.000 0.516 575 V N 7.135 127.028 119.914 -0.034 0.000 2.333 575 V HA 0.566 4.686 4.120 -0.000 0.000 0.274 575 V C 0.524 176.647 176.094 0.048 0.000 1.028 575 V CA -0.430 61.890 62.300 0.034 0.000 0.851 575 V CB 0.908 32.740 31.823 0.016 0.000 1.000 575 V HN 0.834 nan 8.190 nan 0.000 0.456 576 A N 4.098 126.974 122.820 0.092 0.000 2.299 576 A HA 0.947 5.267 4.320 -0.000 0.000 0.332 576 A C -0.078 177.662 177.584 0.261 0.000 1.131 576 A CA -0.496 51.599 52.037 0.096 0.000 0.844 576 A CB 1.746 20.654 19.000 -0.153 0.000 1.251 576 A HN 0.672 nan 8.150 nan 0.000 0.486 577 S N -0.862 115.051 115.700 0.354 0.000 2.556 577 S HA 0.760 5.230 4.470 -0.000 0.000 0.271 577 S C -1.729 173.244 174.600 0.621 0.000 1.135 577 S CA -0.284 58.173 58.200 0.427 0.000 0.858 577 S CB 1.352 64.741 63.200 0.315 0.000 1.114 577 S HN 0.905 nan 8.310 nan 0.000 0.468 578 F N 1.762 121.949 119.950 0.396 0.000 2.596 578 F HA 0.443 4.970 4.527 -0.000 0.000 0.311 578 F C -1.762 174.241 175.800 0.338 0.000 1.116 578 F CA -0.671 57.583 58.000 0.424 0.000 0.957 578 F CB 1.516 40.749 39.000 0.389 0.000 1.250 578 F HN 0.414 nan 8.300 nan 0.000 0.444 579 D N 4.827 124.982 120.400 -0.407 0.000 2.473 579 D HA 0.363 5.003 4.640 -0.000 0.000 0.226 579 D C 0.357 176.342 176.300 -0.525 0.000 1.089 579 D CA 0.032 53.888 54.000 -0.241 0.000 0.883 579 D CB 1.563 42.400 40.800 0.062 0.000 1.029 579 D HN 0.760 nan 8.370 nan 0.000 0.517 580 G N 1.175 109.744 108.800 -0.385 0.000 2.574 580 G HA2 0.255 4.215 3.960 -0.000 0.000 0.248 580 G HA3 0.255 4.215 3.960 -0.000 0.000 0.248 580 G C 0.191 175.044 174.900 -0.079 0.000 1.422 580 G CA -0.737 44.146 45.100 -0.362 0.000 1.051 580 G HN 0.285 nan 8.290 nan 0.000 0.560 581 R N -0.555 119.878 120.500 -0.112 0.000 2.538 581 R HA 0.352 4.692 4.340 -0.000 0.000 0.282 581 R C 1.196 177.576 176.300 0.134 0.000 1.009 581 R CA 1.510 57.668 56.100 0.097 0.000 1.063 581 R CB 0.362 30.700 30.300 0.063 0.000 0.945 581 R HN 1.042 nan 8.270 nan 0.000 0.414 582 G N 1.331 110.215 108.800 0.139 0.000 2.238 582 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.217 582 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.217 582 G C 0.106 175.052 174.900 0.078 0.000 0.996 582 G CA 0.077 45.251 45.100 0.124 0.000 0.632 582 G HN 0.712 nan 8.290 nan 0.000 0.503 583 S N 0.367 116.119 115.700 0.086 0.000 2.603 583 S HA 0.678 5.148 4.470 -0.000 0.000 0.268 583 S C 0.863 175.472 174.600 0.016 0.000 1.317 583 S CA 0.447 58.694 58.200 0.079 0.000 1.012 583 S CB 1.810 65.083 63.200 0.122 0.000 0.926 583 S HN 1.628 nan 8.310 nan 0.000 0.539 584 G N -0.564 108.212 108.800 -0.041 0.000 2.511 584 G HA2 0.486 4.446 3.960 -0.000 0.000 0.316 584 G HA3 0.486 4.446 3.960 -0.000 0.000 0.316 584 G C -0.893 173.902 174.900 -0.176 0.000 1.210 584 G CA -0.981 43.919 45.100 -0.334 0.000 0.969 584 G HN 1.013 nan 8.290 nan 0.000 0.492 585 Y N -2.546 117.761 120.300 0.012 0.000 4.668 585 Y HA -0.212 4.338 4.550 -0.000 0.000 0.234 585 Y C 1.314 177.229 175.900 0.025 0.000 1.056 585 Y CA 1.021 59.136 58.100 0.025 0.000 2.025 585 Y CB -2.143 36.348 38.460 0.051 0.000 1.613 585 Y HN 0.541 nan 8.280 nan 0.000 0.653 586 Q N -0.023 119.800 119.800 0.037 0.000 2.084 586 Q HA 0.500 4.840 4.340 -0.000 0.000 0.230 586 Q C 0.947 176.805 176.000 -0.237 0.000 0.806 586 Q CA 0.190 56.013 55.803 0.032 0.000 1.083 586 Q CB 1.581 30.344 28.738 0.042 0.000 1.208 586 Q HN 0.599 nan 8.270 nan 0.000 0.462 587 G N 0.808 109.352 108.800 -0.426 0.000 2.707 587 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.686 587 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.686 587 G C -0.429 174.107 174.900 -0.607 0.000 1.315 587 G CA -0.474 44.129 45.100 -0.828 0.000 0.832 587 G HN 0.158 nan 8.290 nan 0.000 0.573 588 D N -0.159 119.846 120.400 -0.658 0.000 2.269 588 D HA -0.018 4.622 4.640 -0.000 0.000 0.208 588 D C 2.228 178.246 176.300 -0.469 0.000 0.963 588 D CA 0.935 54.493 54.000 -0.737 0.000 0.864 588 D CB 0.082 40.393 40.800 -0.815 0.000 0.936 588 D HN 0.439 nan 8.370 nan 0.000 0.505 589 K N 0.537 120.718 120.400 -0.363 0.000 2.026 589 K HA -0.099 4.221 4.320 -0.000 0.000 0.208 589 K C 2.048 178.572 176.600 -0.127 0.000 1.048 589 K CA 0.752 56.915 56.287 -0.207 0.000 0.929 589 K CB -0.158 32.229 32.500 -0.187 0.000 0.713 589 K HN 0.170 nan 8.250 nan 0.000 0.439 590 I N 0.364 120.854 120.570 -0.133 0.000 2.333 590 I HA -0.210 3.960 4.170 -0.000 0.000 0.246 590 I C 2.652 178.771 176.117 0.004 0.000 1.106 590 I CA 0.754 62.055 61.300 0.001 0.000 1.411 590 I CB -0.075 37.956 38.000 0.052 0.000 1.082 590 I HN 0.189 nan 8.210 nan 0.000 0.420 591 M N -0.248 119.285 119.600 -0.111 0.000 2.132 591 M HA -0.200 4.280 4.480 -0.000 0.000 0.263 591 M C 1.859 178.207 176.300 0.080 0.000 1.065 591 M CA 1.927 57.187 55.300 -0.068 0.000 1.122 591 M CB -0.226 32.234 32.600 -0.235 0.000 1.365 591 M HN 0.282 nan 8.290 nan 0.000 0.411 592 H N -0.887 118.087 119.070 -0.160 0.000 2.539 592 H HA 0.194 4.750 4.556 -0.000 0.000 0.267 592 H C 1.794 177.139 175.328 0.028 0.000 0.982 592 H CA 0.138 56.102 56.048 -0.141 0.000 1.146 592 H CB 0.235 29.823 29.762 -0.290 0.000 1.382 592 H HN 0.502 nan 8.280 nan 0.000 0.577 593 A N 0.873 123.790 122.820 0.161 0.000 2.131 593 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 593 A C 1.901 179.686 177.584 0.334 0.000 1.158 593 A CA 1.176 53.309 52.037 0.161 0.000 0.665 593 A CB -0.261 18.776 19.000 0.061 0.000 0.795 593 A HN 0.327 nan 8.150 nan 0.000 0.460 594 I N -0.629 120.127 120.570 0.309 0.000 3.956 594 I HA 0.098 4.268 4.170 -0.000 0.000 0.333 594 I C 0.477 176.720 176.117 0.210 0.000 1.302 594 I CA -0.288 61.179 61.300 0.278 0.000 1.122 594 I CB -0.277 37.859 38.000 0.226 0.000 1.013 594 I HN 0.245 nan 8.210 nan 0.000 0.405 595 N N 1.831 120.681 118.700 0.251 0.000 2.411 595 N HA -0.053 4.687 4.740 -0.000 0.000 0.261 595 N C 0.467 176.028 175.510 0.084 0.000 1.248 595 N CA 0.614 53.794 53.050 0.216 0.000 0.885 595 N CB 0.126 38.701 38.487 0.146 0.000 1.062 595 N HN 0.150 nan 8.380 nan 0.000 0.471 596 R N 0.693 121.221 120.500 0.048 0.000 4.000 596 R HA -0.240 4.100 4.340 -0.000 0.000 0.362 596 R C -0.332 175.887 176.300 -0.136 0.000 1.183 596 R CA 1.040 57.133 56.100 -0.012 0.000 1.011 596 R CB -1.471 28.836 30.300 0.011 0.000 1.501 596 R HN 0.637 nan 8.270 nan 0.000 0.553 597 R N 0.619 121.010 120.500 -0.182 0.000 2.583 597 R HA 0.303 4.643 4.340 -0.000 0.000 0.282 597 R C -0.580 175.646 176.300 -0.123 0.000 1.288 597 R CA -0.323 55.474 56.100 -0.506 0.000 1.415 597 R CB 0.718 30.716 30.300 -0.503 0.000 1.331 597 R HN -0.003 nan 8.270 nan 0.000 0.719 598 L N 0.340 121.636 121.223 0.121 0.000 2.410 598 L HA 0.259 4.599 4.340 -0.000 0.000 0.273 598 L C 1.221 178.415 176.870 0.540 0.000 1.152 598 L CA 0.701 55.692 54.840 0.252 0.000 0.855 598 L CB 0.932 42.951 42.059 -0.067 0.000 1.129 598 L HN 0.737 nan 8.230 nan 0.000 0.463 599 G N 1.587 110.671 108.800 0.474 0.000 2.130 599 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.216 599 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.216 599 G C 0.285 175.276 174.900 0.152 0.000 0.999 599 G CA 0.364 45.668 45.100 0.340 0.000 0.686 599 G HN 0.714 nan 8.290 nan 0.000 0.515 600 T N -1.764 112.832 114.554 0.070 0.000 3.518 600 T HA 0.464 4.814 4.350 -0.000 0.000 0.211 600 T C 1.753 176.398 174.700 -0.092 0.000 0.940 600 T CA 1.195 63.213 62.100 -0.136 0.000 1.307 600 T CB -0.026 68.569 68.868 -0.454 0.000 1.392 600 T HN 0.109 nan 8.240 nan 0.000 0.382 601 F N 2.938 122.933 119.950 0.075 0.000 2.259 601 F HA 0.172 4.699 4.527 0.000 0.000 0.298 601 F C 2.597 178.428 175.800 0.052 0.000 1.088 601 F CA 1.019 59.048 58.000 0.049 0.000 1.358 601 F CB -0.518 38.507 39.000 0.042 0.000 1.040 601 F HN 0.427 nan 8.300 nan 0.000 0.505 602 E N 0.786 121.137 120.200 0.253 0.000 2.204 602 E HA -0.109 4.241 4.350 -0.000 0.000 0.194 602 E C 1.987 178.686 176.600 0.165 0.000 0.989 602 E CA 1.317 57.837 56.400 0.199 0.000 0.824 602 E CB -0.909 28.914 29.700 0.205 0.000 0.756 602 E HN 0.298 nan 8.360 nan 0.000 0.477 603 V N 1.635 121.622 119.914 0.122 0.000 2.302 603 V HA -0.188 3.932 4.120 -0.000 0.000 0.243 603 V C 2.365 178.497 176.094 0.063 0.000 1.036 603 V CA 1.989 64.321 62.300 0.053 0.000 1.020 603 V CB -0.632 31.179 31.823 -0.021 0.000 0.657 603 V HN 0.180 nan 8.190 nan 0.000 0.453 604 E N 0.326 120.576 120.200 0.083 0.000 2.085 604 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 604 E C 1.908 178.537 176.600 0.049 0.000 0.994 604 E CA 1.594 58.039 56.400 0.075 0.000 0.801 604 E CB -0.195 29.581 29.700 0.126 0.000 0.743 604 E HN 0.581 nan 8.360 nan 0.000 0.453 605 D N 0.204 120.647 120.400 0.071 0.000 2.219 605 D HA -0.116 4.524 4.640 -0.000 0.000 0.205 605 D C 1.940 178.239 176.300 -0.002 0.000 0.970 605 D CA 0.687 54.706 54.000 0.032 0.000 0.851 605 D CB -0.064 40.777 40.800 0.067 0.000 0.943 605 D HN 0.132 nan 8.370 nan 0.000 0.488 606 Q N 0.087 119.944 119.800 0.094 0.000 2.123 606 Q HA -0.009 4.331 4.340 -0.000 0.000 0.199 606 Q C 2.531 178.570 176.000 0.066 0.000 0.966 606 Q CA 0.497 56.361 55.803 0.102 0.000 0.845 606 Q CB 0.019 28.856 28.738 0.164 0.000 0.907 606 Q HN 0.408 nan 8.270 nan 0.000 0.439 607 I N 0.774 121.396 120.570 0.086 0.000 2.202 607 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 607 I C 2.414 178.489 176.117 -0.069 0.000 1.091 607 I CA 1.038 62.412 61.300 0.123 0.000 1.368 607 I CB -0.197 37.867 38.000 0.107 0.000 1.058 607 I HN 0.095 nan 8.210 nan 0.000 0.410 608 E N 1.399 121.519 120.200 -0.134 0.000 2.077 608 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 608 E C 2.136 178.479 176.600 -0.427 0.000 0.989 608 E CA 1.729 57.995 56.400 -0.222 0.000 0.800 608 E CB -0.266 29.332 29.700 -0.170 0.000 0.746 608 E HN 0.425 nan 8.360 nan 0.000 0.452 609 A N 0.775 123.194 122.820 -0.668 0.000 1.877 609 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 609 A C 2.458 179.347 177.584 -1.157 0.000 1.186 609 A CA 2.279 53.591 52.037 -1.207 0.000 0.620 609 A CB -1.031 16.803 19.000 -1.942 0.000 0.822 609 A HN 0.346 nan 8.150 nan 0.000 0.443 610 A N -0.515 121.982 122.820 -0.539 0.000 1.908 610 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 610 A C 2.254 179.672 177.584 -0.277 0.000 1.181 610 A CA 1.785 53.697 52.037 -0.210 0.000 0.627 610 A CB -0.522 18.451 19.000 -0.045 0.000 0.818 610 A HN 0.538 nan 8.150 nan 0.000 0.445 611 R N -0.834 119.482 120.500 -0.306 0.000 2.083 611 R HA -0.178 4.162 4.340 -0.000 0.000 0.237 611 R C 2.450 178.603 176.300 -0.245 0.000 1.137 611 R CA 1.912 57.864 56.100 -0.247 0.000 0.951 611 R CB -0.270 29.908 30.300 -0.202 0.000 0.851 611 R HN 0.699 nan 8.270 nan 0.000 0.434 612 Q N -0.972 118.619 119.800 -0.348 0.000 2.167 612 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 612 Q C 1.778 177.642 176.000 -0.227 0.000 0.970 612 Q CA 1.073 56.687 55.803 -0.315 0.000 0.855 612 Q CB 0.063 28.560 28.738 -0.402 0.000 0.911 612 Q HN 0.259 nan 8.270 nan 0.000 0.438 613 F N 0.237 120.034 119.950 -0.255 0.000 2.171 613 F HA -0.207 4.320 4.527 -0.000 0.000 0.300 613 F C 2.762 178.415 175.800 -0.245 0.000 1.090 613 F CA 1.350 59.202 58.000 -0.247 0.000 1.293 613 F CB -1.202 37.682 39.000 -0.193 0.000 1.013 613 F HN 0.108 nan 8.300 nan 0.000 0.486 614 S N 0.213 115.891 115.700 -0.037 0.000 2.356 614 S HA -0.189 4.281 4.470 -0.000 0.000 0.223 614 S C 2.034 176.553 174.600 -0.135 0.000 1.032 614 S CA 0.884 59.022 58.200 -0.105 0.000 1.005 614 S CB -0.471 62.652 63.200 -0.129 0.000 0.867 614 S HN 0.187 nan 8.310 nan 0.000 0.449 615 K N 1.223 121.545 120.400 -0.130 0.000 2.173 615 K HA 0.009 4.329 4.320 -0.000 0.000 0.207 615 K C 0.994 177.504 176.600 -0.150 0.000 1.046 615 K CA 0.756 56.969 56.287 -0.123 0.000 0.929 615 K CB -0.873 31.562 32.500 -0.109 0.000 0.720 615 K HN 0.565 nan 8.250 nan 0.000 0.453 616 M N -0.086 119.384 119.600 -0.218 0.000 2.252 616 M HA 0.003 4.483 4.480 -0.000 0.000 0.333 616 M C 1.562 177.628 176.300 -0.389 0.000 1.111 616 M CA 0.363 55.447 55.300 -0.360 0.000 1.140 616 M CB 0.649 32.858 32.600 -0.653 0.000 1.538 616 M HN 0.106 nan 8.290 nan 0.000 0.448 617 G N 1.611 110.242 108.800 -0.281 0.000 2.848 617 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.208 617 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.208 617 G C 0.717 175.599 174.900 -0.031 0.000 1.152 617 G CA 0.144 45.174 45.100 -0.116 0.000 0.789 617 G HN 0.804 nan 8.290 nan 0.000 0.531 618 F N -0.126 119.879 119.950 0.091 0.000 2.721 618 F HA 0.468 4.995 4.527 -0.000 0.000 0.301 618 F C 0.457 176.373 175.800 0.195 0.000 1.096 618 F CA -1.248 56.841 58.000 0.149 0.000 1.308 618 F CB -0.236 38.910 39.000 0.242 0.000 1.086 618 F HN -0.018 nan 8.300 nan 0.000 0.587 619 V N 1.416 121.291 119.914 -0.065 0.000 2.427 619 V HA 0.451 4.571 4.120 -0.000 0.000 0.286 619 V C -0.939 175.127 176.094 -0.048 0.000 1.034 619 V CA -0.666 61.644 62.300 0.017 0.000 0.893 619 V CB 1.273 33.073 31.823 -0.038 0.000 0.982 619 V HN 0.192 nan 8.190 nan 0.000 0.452 620 D N 4.653 125.028 120.400 -0.043 0.000 2.316 620 D HA 0.210 4.850 4.640 -0.000 0.000 0.245 620 D C 1.348 177.588 176.300 -0.101 0.000 1.171 620 D CA 0.088 54.038 54.000 -0.084 0.000 0.856 620 D CB 0.907 41.644 40.800 -0.105 0.000 1.090 620 D HN 0.757 nan 8.370 nan 0.000 0.476 621 N N 3.484 122.128 118.700 -0.093 0.000 2.573 621 N HA -0.146 4.594 4.740 -0.000 0.000 0.187 621 N C 0.579 176.037 175.510 -0.086 0.000 1.107 621 N CA 0.407 53.398 53.050 -0.099 0.000 0.918 621 N CB 0.183 38.612 38.487 -0.096 0.000 0.966 621 N HN 0.415 nan 8.380 nan 0.000 0.448 622 K N 0.255 120.610 120.400 -0.075 0.000 2.404 622 K HA 0.178 4.498 4.320 -0.000 0.000 0.194 622 K C 0.292 176.871 176.600 -0.034 0.000 1.023 622 K CA 0.116 56.374 56.287 -0.047 0.000 1.094 622 K CB 0.497 32.973 32.500 -0.039 0.000 0.841 622 K HN 0.118 nan 8.250 nan 0.000 0.523 623 R N 1.194 121.640 120.500 -0.089 0.000 2.653 623 R HA 0.335 4.675 4.340 -0.000 0.000 0.269 623 R C -1.071 175.126 176.300 -0.171 0.000 1.603 623 R CA -0.151 55.862 56.100 -0.144 0.000 1.671 623 R CB 0.601 30.669 30.300 -0.386 0.000 1.300 623 R HN -0.013 nan 8.270 nan 0.000 0.668 624 I N 1.226 121.832 120.570 0.060 0.000 2.389 624 I HA 0.485 4.655 4.170 -0.000 0.000 0.288 624 I C 0.110 176.504 176.117 0.463 0.000 0.999 624 I CA -0.660 60.734 61.300 0.157 0.000 1.129 624 I CB 1.900 39.864 38.000 -0.061 0.000 1.288 624 I HN 0.286 nan 8.210 nan 0.000 0.444 625 A N 7.132 130.330 122.820 0.630 0.000 2.299 625 A HA 0.910 5.230 4.320 -0.000 0.000 0.332 625 A C -0.917 177.025 177.584 0.595 0.000 1.131 625 A CA -0.630 51.776 52.037 0.615 0.000 0.844 625 A CB 1.624 20.916 19.000 0.486 0.000 1.251 625 A HN 0.734 nan 8.150 nan 0.000 0.486 626 I N 0.919 121.748 120.570 0.430 0.000 2.607 626 I HA 0.633 4.803 4.170 -0.000 0.000 0.290 626 I C -1.838 174.519 176.117 0.401 0.000 1.129 626 I CA -0.527 60.952 61.300 0.299 0.000 1.042 626 I CB 1.425 39.313 38.000 -0.188 0.000 1.242 626 I HN 0.905 nan 8.210 nan 0.000 0.421 627 W N 7.379 128.804 121.300 0.208 0.000 3.107 627 W HA 0.881 5.541 4.660 -0.000 0.000 0.331 627 W C -1.393 175.272 176.519 0.243 0.000 1.204 627 W CA -1.250 56.231 57.345 0.226 0.000 1.184 627 W CB 1.188 30.841 29.460 0.322 0.000 1.421 627 W HN 0.763 nan 8.180 nan 0.000 0.544 628 G N 1.251 109.952 108.800 -0.166 0.000 2.677 628 G HA2 0.549 4.509 3.960 -0.000 0.000 0.291 628 G HA3 0.549 4.509 3.960 -0.000 0.000 0.291 628 G C -2.723 172.079 174.900 -0.163 0.000 1.435 628 G CA -0.667 44.220 45.100 -0.355 0.000 0.826 628 G HN 0.588 nan 8.290 nan 0.000 0.491 629 W N 0.822 121.978 121.300 -0.240 0.000 2.736 629 W HA 0.626 5.286 4.660 -0.000 0.000 0.335 629 W C 0.697 177.254 176.519 0.063 0.000 1.059 629 W CA 0.219 57.519 57.345 -0.075 0.000 1.226 629 W CB 1.905 31.322 29.460 -0.072 0.000 1.416 629 W HN 1.062 nan 8.180 nan 0.000 0.505 630 S N 1.884 117.873 115.700 0.482 0.000 4.069 630 S HA -0.417 4.053 4.470 -0.000 0.000 0.626 630 S C 1.056 175.775 174.600 0.198 0.000 2.000 630 S CA 1.520 60.011 58.200 0.486 0.000 4.174 630 S CB -1.784 61.831 63.200 0.691 0.000 0.210 630 S HN 0.733 nan 8.310 nan 0.000 0.602 631 Y N 2.295 122.580 120.300 -0.023 0.000 2.139 631 Y HA -0.105 4.445 4.550 0.000 0.000 0.282 631 Y C 2.367 178.166 175.900 -0.167 0.000 1.179 631 Y CA 2.797 60.774 58.100 -0.206 0.000 1.161 631 Y CB -1.082 37.056 38.460 -0.536 0.000 0.970 631 Y HN 0.554 nan 8.280 nan 0.000 0.511 632 G N -1.107 107.681 108.800 -0.020 0.000 2.450 632 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.220 632 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.220 632 G C 1.929 176.846 174.900 0.029 0.000 1.130 632 G CA 0.793 45.918 45.100 0.042 0.000 0.760 632 G HN 0.602 nan 8.290 nan 0.000 0.557 633 G N -0.148 108.675 108.800 0.039 0.000 2.422 633 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 633 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 633 G C 1.607 176.521 174.900 0.022 0.000 1.146 633 G CA 1.128 46.237 45.100 0.015 0.000 0.769 633 G HN 0.468 nan 8.290 nan 0.000 0.547 634 Y N 1.192 121.393 120.300 -0.164 0.000 2.163 634 Y HA -0.061 4.489 4.550 -0.000 0.000 0.288 634 Y C 2.713 178.511 175.900 -0.171 0.000 1.136 634 Y CA 1.502 59.449 58.100 -0.254 0.000 1.147 634 Y CB -0.429 37.718 38.460 -0.521 0.000 0.987 634 Y HN 0.021 nan 8.280 nan 0.000 0.509 635 V N -0.011 119.745 119.914 -0.263 0.000 2.295 635 V HA -0.335 3.785 4.120 -0.000 0.000 0.246 635 V C 2.348 178.316 176.094 -0.210 0.000 1.049 635 V CA 2.477 64.628 62.300 -0.249 0.000 1.024 635 V CB -1.195 30.649 31.823 0.035 0.000 0.648 635 V HN 0.510 nan 8.190 nan 0.000 0.447 636 T N -0.315 114.171 114.554 -0.113 0.000 2.624 636 T HA -0.251 4.099 4.350 -0.000 0.000 0.268 636 T C 2.160 176.789 174.700 -0.118 0.000 1.041 636 T CA 2.181 64.223 62.100 -0.096 0.000 1.159 636 T CB -0.330 68.553 68.868 0.025 0.000 0.863 636 T HN 0.481 nan 8.240 nan 0.000 0.434 637 S N 0.649 116.309 115.700 -0.066 0.000 2.356 637 S HA -0.064 4.406 4.470 -0.000 0.000 0.223 637 S C 2.149 176.646 174.600 -0.172 0.000 1.032 637 S CA 1.031 59.220 58.200 -0.019 0.000 1.005 637 S CB -0.301 62.928 63.200 0.049 0.000 0.867 637 S HN 0.301 nan 8.310 nan 0.000 0.449 638 M N 0.823 120.231 119.600 -0.321 0.000 2.149 638 M HA -0.041 4.439 4.480 -0.000 0.000 0.261 638 M C 2.179 178.307 176.300 -0.287 0.000 1.064 638 M CA 1.084 56.178 55.300 -0.343 0.000 1.102 638 M CB -1.564 30.736 32.600 -0.500 0.000 1.369 638 M HN 0.168 nan 8.290 nan 0.000 0.408 639 V N 0.476 120.218 119.914 -0.287 0.000 2.307 639 V HA -0.235 3.885 4.120 -0.000 0.000 0.245 639 V C 2.507 178.406 176.094 -0.326 0.000 1.045 639 V CA 1.378 63.512 62.300 -0.277 0.000 1.024 639 V CB -0.589 31.016 31.823 -0.364 0.000 0.651 639 V HN 0.394 nan 8.190 nan 0.000 0.449 640 L N 0.383 121.345 121.223 -0.434 0.000 2.191 640 L HA -0.046 4.294 4.340 -0.000 0.000 0.212 640 L C 2.217 178.589 176.870 -0.829 0.000 1.103 640 L CA 1.497 56.003 54.840 -0.558 0.000 0.769 640 L CB -0.745 40.969 42.059 -0.576 0.000 0.908 640 L HN 0.475 nan 8.230 nan 0.000 0.438 641 G N -1.336 106.933 108.800 -0.885 0.000 3.233 641 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.227 641 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.227 641 G C 1.467 176.183 174.900 -0.306 0.000 1.175 641 G CA 0.589 45.266 45.100 -0.705 0.000 0.781 641 G HN 0.422 nan 8.290 nan 0.000 0.542 642 S N -0.756 114.798 115.700 -0.244 0.000 2.501 642 S HA 0.315 4.785 4.470 -0.000 0.000 0.220 642 S C 1.907 176.455 174.600 -0.086 0.000 0.997 642 S CA 1.041 59.164 58.200 -0.128 0.000 0.919 642 S CB -0.064 63.082 63.200 -0.091 0.000 0.778 642 S HN 1.338 nan 8.310 nan 0.000 0.523 643 G N 1.562 110.302 108.800 -0.100 0.000 2.160 643 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.251 643 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.251 643 G C 0.945 175.832 174.900 -0.023 0.000 1.008 643 G CA 0.948 46.013 45.100 -0.057 0.000 0.724 643 G HN 1.323 nan 8.290 nan 0.000 0.514 644 S N -0.559 115.140 115.700 -0.002 0.000 2.423 644 S HA 0.279 4.749 4.470 -0.000 0.000 0.231 644 S C 2.475 177.078 174.600 0.005 0.000 1.014 644 S CA 1.580 59.789 58.200 0.016 0.000 0.965 644 S CB -0.324 62.914 63.200 0.064 0.000 0.785 644 S HN 2.404 nan 8.310 nan 0.000 0.495 645 G N -0.052 108.760 108.800 0.020 0.000 2.168 645 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.257 645 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.257 645 G C 0.590 175.476 174.900 -0.024 0.000 0.997 645 G CA 0.408 45.512 45.100 0.007 0.000 0.708 645 G HN 0.763 nan 8.290 nan 0.000 0.520 646 V N -1.153 118.730 119.914 -0.050 0.000 3.307 646 V HA 0.373 4.493 4.120 -0.000 0.000 0.253 646 V C 0.906 176.756 176.094 -0.407 0.000 1.149 646 V CA 0.935 63.074 62.300 -0.269 0.000 1.112 646 V CB -0.167 31.404 31.823 -0.420 0.000 0.777 646 V HN 0.287 nan 8.190 nan 0.000 0.464 647 F N 0.064 120.032 119.950 0.029 0.000 2.443 647 F HA 0.438 4.965 4.527 -0.000 0.000 0.335 647 F C 1.064 176.913 175.800 0.082 0.000 1.104 647 F CA -0.634 57.411 58.000 0.074 0.000 1.013 647 F CB 1.788 40.836 39.000 0.080 0.000 1.136 647 F HN -0.266 nan 8.300 nan 0.000 0.470 648 K N 1.566 122.138 120.400 0.286 0.000 2.137 648 K HA 0.120 4.440 4.320 -0.000 0.000 0.202 648 K C -0.118 176.627 176.600 0.241 0.000 1.052 648 K CA 0.930 57.349 56.287 0.219 0.000 0.961 648 K CB 0.264 32.888 32.500 0.207 0.000 0.741 648 K HN 0.789 nan 8.250 nan 0.000 0.452 649 c N -3.087 115.701 118.600 0.314 0.000 3.321 649 c HA 0.907 5.477 4.570 -0.000 0.000 0.329 649 c C -0.243 174.090 174.090 0.405 0.000 1.394 649 c CA -0.533 56.002 56.329 0.344 0.000 1.291 649 c CB 1.096 43.747 42.510 0.234 0.000 1.606 649 c HN 0.365 nan 8.230 nan 0.000 0.463 650 G N -0.118 108.981 108.800 0.498 0.000 2.623 650 G HA2 0.711 4.671 3.960 -0.000 0.000 0.290 650 G HA3 0.711 4.671 3.960 -0.000 0.000 0.290 650 G C -2.027 173.086 174.900 0.355 0.000 1.437 650 G CA -0.733 44.624 45.100 0.427 0.000 0.798 650 G HN 1.040 nan 8.290 nan 0.000 0.488 651 I N 0.632 121.382 120.570 0.300 0.000 2.436 651 I HA 0.631 4.801 4.170 -0.000 0.000 0.289 651 I C 0.171 176.388 176.117 0.167 0.000 1.010 651 I CA -0.963 60.405 61.300 0.113 0.000 1.098 651 I CB 2.162 40.250 38.000 0.147 0.000 1.266 651 I HN 0.659 nan 8.210 nan 0.000 0.434 652 A N 6.300 129.116 122.820 -0.007 0.000 2.318 652 A HA 0.814 5.134 4.320 -0.000 0.000 0.317 652 A C -0.831 176.650 177.584 -0.173 0.000 1.159 652 A CA -0.521 51.513 52.037 -0.006 0.000 0.799 652 A CB 1.360 20.425 19.000 0.108 0.000 1.194 652 A HN 0.449 nan 8.150 nan 0.000 0.479 653 V N 2.010 121.761 119.914 -0.271 0.000 2.407 653 V HA 0.583 4.703 4.120 -0.000 0.000 0.291 653 V C 0.752 176.410 176.094 -0.726 0.000 1.018 653 V CA 0.335 62.263 62.300 -0.620 0.000 0.842 653 V CB 0.667 31.857 31.823 -1.056 0.000 0.996 653 V HN 2.219 nan 8.190 nan 0.000 0.426 654 A N 5.537 127.974 122.820 -0.637 0.000 2.610 654 A HA -0.088 4.232 4.320 -0.000 0.000 0.299 654 A C -1.925 175.530 177.584 -0.215 0.000 1.487 654 A CA 0.393 52.016 52.037 -0.691 0.000 0.743 654 A CB -1.588 17.176 19.000 -0.394 0.000 1.070 654 A HN 0.592 nan 8.150 nan 0.000 0.439 655 P HA 0.458 nan 4.420 nan 0.000 0.282 655 P C 0.359 177.623 177.300 -0.060 0.000 1.249 655 P CA -0.207 62.867 63.100 -0.043 0.000 0.806 655 P CB 1.234 32.927 31.700 -0.011 0.000 0.984 656 V N 2.181 121.962 119.914 -0.223 0.000 2.843 656 V HA 0.065 4.185 4.120 -0.000 0.000 0.305 656 V C 1.733 177.628 176.094 -0.332 0.000 1.065 656 V CA 1.266 63.291 62.300 -0.458 0.000 1.116 656 V CB 0.466 31.619 31.823 -1.116 0.000 0.968 656 V HN 0.879 nan 8.190 nan 0.000 0.487 657 S N 2.580 118.101 115.700 -0.298 0.000 2.691 657 S HA 0.247 4.717 4.470 -0.000 0.000 0.258 657 S C 0.443 174.875 174.600 -0.281 0.000 1.078 657 S CA -0.292 57.815 58.200 -0.155 0.000 1.000 657 S CB 0.339 63.521 63.200 -0.030 0.000 0.942 657 S HN 0.816 nan 8.310 nan 0.000 0.521 658 R N -0.849 119.392 120.500 -0.432 0.000 2.584 658 R HA 0.387 4.727 4.340 -0.000 0.000 0.276 658 R C -1.024 174.956 176.300 -0.533 0.000 1.046 658 R CA -0.750 55.024 56.100 -0.543 0.000 0.906 658 R CB 0.373 30.295 30.300 -0.630 0.000 1.215 658 R HN 0.232 nan 8.270 nan 0.000 0.449 659 W N 1.860 123.014 121.300 -0.244 0.000 2.525 659 W HA 0.014 4.674 4.660 0.000 0.000 0.259 659 W C 1.295 177.882 176.519 0.113 0.000 1.253 659 W CA 0.388 57.646 57.345 -0.146 0.000 1.262 659 W CB 0.397 29.633 29.460 -0.375 0.000 1.122 659 W HN 0.746 nan 8.180 nan 0.000 0.607 660 E N -0.905 119.443 120.200 0.248 0.000 2.268 660 E HA -0.198 4.152 4.350 -0.000 0.000 0.195 660 E C 1.403 178.138 176.600 0.226 0.000 0.995 660 E CA 0.972 57.500 56.400 0.213 0.000 0.836 660 E CB -0.216 29.502 29.700 0.029 0.000 0.763 660 E HN 0.336 nan 8.360 nan 0.000 0.491 661 Y N -1.355 119.051 120.300 0.177 0.000 2.516 661 Y HA 0.004 4.554 4.550 0.000 0.000 0.291 661 Y C 0.763 176.784 175.900 0.202 0.000 1.131 661 Y CA -0.036 58.140 58.100 0.126 0.000 1.281 661 Y CB -0.474 38.003 38.460 0.028 0.000 1.013 661 Y HN 0.033 nan 8.280 nan 0.000 0.554 662 Y N 1.531 122.003 120.300 0.287 0.000 2.408 662 Y HA 0.274 4.824 4.550 -0.000 0.000 0.324 662 Y C 0.284 176.397 175.900 0.355 0.000 1.302 662 Y CA -2.011 56.262 58.100 0.290 0.000 1.384 662 Y CB 0.350 39.008 38.460 0.330 0.000 1.367 662 Y HN 0.155 nan 8.280 nan 0.000 0.525 663 D N -0.767 119.438 120.400 -0.326 0.000 2.339 663 D HA 0.136 4.776 4.640 -0.000 0.000 0.245 663 D C 0.871 177.181 176.300 0.016 0.000 1.115 663 D CA 0.230 54.069 54.000 -0.269 0.000 0.917 663 D CB 1.119 41.525 40.800 -0.656 0.000 1.192 663 D HN 0.485 nan 8.370 nan 0.000 0.428 664 S N 1.443 117.152 115.700 0.015 0.000 2.351 664 S HA -0.251 4.219 4.470 -0.000 0.000 0.220 664 S C 1.963 176.607 174.600 0.073 0.000 1.035 664 S CA 1.299 59.554 58.200 0.092 0.000 1.031 664 S CB -1.123 62.135 63.200 0.097 0.000 0.928 664 S HN 0.442 nan 8.310 nan 0.000 0.433 665 V N 0.885 120.780 119.914 -0.032 0.000 2.282 665 V HA -0.219 3.901 4.120 -0.000 0.000 0.249 665 V C 2.317 178.355 176.094 -0.094 0.000 1.057 665 V CA 2.401 64.588 62.300 -0.189 0.000 1.032 665 V CB -1.135 30.420 31.823 -0.446 0.000 0.645 665 V HN 0.594 nan 8.190 nan 0.000 0.447 666 Y N 1.207 121.476 120.300 -0.052 0.000 2.153 666 Y HA -0.194 4.356 4.550 0.000 0.000 0.289 666 Y C 2.752 178.710 175.900 0.096 0.000 1.127 666 Y CA 2.240 60.395 58.100 0.091 0.000 1.131 666 Y CB -0.569 38.104 38.460 0.355 0.000 0.995 666 Y HN 0.219 nan 8.280 nan 0.000 0.505 667 T N 0.273 115.068 114.554 0.401 0.000 2.674 667 T HA -0.200 4.150 4.350 -0.000 0.000 0.265 667 T C 1.593 176.296 174.700 0.006 0.000 1.039 667 T CA 1.923 64.149 62.100 0.210 0.000 1.150 667 T CB -0.337 68.761 68.868 0.383 0.000 0.864 667 T HN 0.409 nan 8.240 nan 0.000 0.427 668 E N 0.573 120.805 120.200 0.054 0.000 2.153 668 E HA -0.133 4.217 4.350 -0.000 0.000 0.194 668 E C 2.329 178.846 176.600 -0.138 0.000 0.988 668 E CA 0.613 57.030 56.400 0.029 0.000 0.811 668 E CB -0.131 29.620 29.700 0.085 0.000 0.746 668 E HN 0.338 nan 8.360 nan 0.000 0.466 669 R N 0.191 120.475 120.500 -0.359 0.000 2.096 669 R HA -0.217 4.123 4.340 -0.000 0.000 0.240 669 R C 1.256 177.045 176.300 -0.852 0.000 1.139 669 R CA 1.852 57.516 56.100 -0.727 0.000 0.952 669 R CB -0.112 29.430 30.300 -1.265 0.000 0.854 669 R HN 0.269 nan 8.270 nan 0.000 0.436 670 Y N -2.425 117.576 120.300 -0.498 0.000 2.442 670 Y HA 0.281 4.831 4.550 -0.000 0.000 0.250 670 Y C 1.564 177.296 175.900 -0.280 0.000 1.113 670 Y CA -0.279 57.527 58.100 -0.489 0.000 1.273 670 Y CB 0.596 38.635 38.460 -0.702 0.000 1.138 670 Y HN -0.021 nan 8.280 nan 0.000 0.522 671 M N -0.348 119.182 119.600 -0.116 0.000 2.292 671 M HA 0.373 4.853 4.480 -0.000 0.000 0.286 671 M C 1.044 177.417 176.300 0.122 0.000 1.002 671 M CA 0.760 56.010 55.300 -0.083 0.000 1.029 671 M CB 0.087 32.464 32.600 -0.372 0.000 1.537 671 M HN 0.355 nan 8.290 nan 0.000 0.543 672 G N 1.957 110.815 108.800 0.096 0.000 2.645 672 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.239 672 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.239 672 G C -0.525 174.493 174.900 0.197 0.000 1.331 672 G CA -0.695 44.481 45.100 0.127 0.000 0.890 672 G HN 0.350 nan 8.290 nan 0.000 0.572 673 L N 1.680 122.969 121.223 0.110 0.000 2.357 673 L HA 0.478 4.818 4.340 -0.000 0.000 0.273 673 L C -1.553 175.230 176.870 -0.145 0.000 1.080 673 L CA -1.799 53.049 54.840 0.014 0.000 0.803 673 L CB 1.893 43.949 42.059 -0.006 0.000 1.174 673 L HN 0.431 nan 8.230 nan 0.000 0.443 674 P HA 0.114 nan 4.420 nan 0.000 0.214 674 P C -0.694 176.414 177.300 -0.321 0.000 1.826 674 P CA -0.191 62.439 63.100 -0.782 0.000 0.977 674 P CB -0.238 30.732 31.700 -1.217 0.000 1.930 675 T N -2.828 111.628 114.554 -0.164 0.000 2.930 675 T HA 0.495 4.845 4.350 -0.000 0.000 0.290 675 T C -2.232 172.443 174.700 -0.041 0.000 1.052 675 T CA -2.486 59.563 62.100 -0.084 0.000 1.017 675 T CB 1.576 70.412 68.868 -0.054 0.000 1.137 675 T HN -0.293 nan 8.240 nan 0.000 0.511 676 P HA -0.078 nan 4.420 nan 0.000 0.215 676 P C 1.103 178.406 177.300 0.006 0.000 1.153 676 P CA 1.145 64.243 63.100 -0.003 0.000 0.853 676 P CB 0.010 31.708 31.700 -0.003 0.000 0.788 677 E N -1.053 119.147 120.200 0.000 0.000 2.209 677 E HA -0.152 4.198 4.350 -0.000 0.000 0.196 677 E C 1.443 178.051 176.600 0.013 0.000 0.993 677 E CA 1.114 57.517 56.400 0.005 0.000 0.819 677 E CB -0.360 29.340 29.700 -0.001 0.000 0.745 677 E HN 0.337 nan 8.360 nan 0.000 0.477 678 D N -1.092 119.318 120.400 0.016 0.000 3.305 678 D HA 0.119 4.759 4.640 -0.000 0.000 0.221 678 D C 0.197 176.536 176.300 0.065 0.000 1.187 678 D CA -0.141 53.880 54.000 0.034 0.000 1.276 678 D CB -0.023 40.794 40.800 0.028 0.000 0.924 678 D HN -0.054 nan 8.370 nan 0.000 0.189 679 N N 0.496 119.256 118.700 0.100 0.000 2.282 679 N HA 0.118 4.858 4.740 -0.000 0.000 0.240 679 N C 1.511 177.185 175.510 0.273 0.000 1.182 679 N CA -0.116 53.050 53.050 0.194 0.000 0.874 679 N CB 0.810 39.450 38.487 0.256 0.000 1.126 679 N HN 0.108 nan 8.380 nan 0.000 0.516 680 L N 0.589 121.878 121.223 0.111 0.000 2.051 680 L HA -0.251 4.089 4.340 -0.000 0.000 0.214 680 L C 1.353 178.320 176.870 0.162 0.000 1.076 680 L CA 1.707 56.592 54.840 0.074 0.000 0.758 680 L CB -0.166 41.888 42.059 -0.009 0.000 0.890 680 L HN 0.196 nan 8.230 nan 0.000 0.433 681 D N -1.003 119.481 120.400 0.140 0.000 2.177 681 D HA -0.307 4.333 4.640 -0.000 0.000 0.189 681 D C 2.025 178.426 176.300 0.168 0.000 1.002 681 D CA 1.783 55.861 54.000 0.131 0.000 0.845 681 D CB -0.376 40.494 40.800 0.117 0.000 0.960 681 D HN 0.443 nan 8.370 nan 0.000 0.447 682 H N -1.152 117.993 119.070 0.126 0.000 2.555 682 H HA -0.039 4.517 4.556 0.000 0.000 0.269 682 H C 1.467 176.868 175.328 0.121 0.000 0.988 682 H CA 0.393 56.499 56.048 0.096 0.000 1.178 682 H CB 0.116 29.905 29.762 0.045 0.000 1.373 682 H HN 0.230 nan 8.280 nan 0.000 0.588 683 Y N 0.864 121.182 120.300 0.030 0.000 2.163 683 Y HA -0.140 4.410 4.550 -0.000 0.000 0.288 683 Y C 2.880 178.750 175.900 -0.050 0.000 1.136 683 Y CA 1.455 59.570 58.100 0.025 0.000 1.147 683 Y CB -0.005 38.484 38.460 0.050 0.000 0.987 683 Y HN 0.055 nan 8.280 nan 0.000 0.509 684 R N -0.136 120.436 120.500 0.120 0.000 2.148 684 R HA -0.098 4.242 4.340 -0.000 0.000 0.223 684 R C 1.666 177.947 176.300 -0.032 0.000 1.088 684 R CA 1.117 57.235 56.100 0.030 0.000 0.985 684 R CB -0.141 30.181 30.300 0.037 0.000 0.880 684 R HN 0.222 nan 8.270 nan 0.000 0.451 685 N N -0.718 117.939 118.700 -0.072 0.000 2.409 685 N HA -0.076 4.664 4.740 -0.000 0.000 0.179 685 N C 0.558 175.969 175.510 -0.165 0.000 1.032 685 N CA 1.184 54.176 53.050 -0.096 0.000 0.898 685 N CB 0.350 38.812 38.487 -0.041 0.000 0.971 685 N HN 0.140 nan 8.380 nan 0.000 0.441 686 S N -1.300 114.244 115.700 -0.260 0.000 2.588 686 S HA 0.138 4.608 4.470 -0.000 0.000 0.245 686 S C 0.360 174.940 174.600 -0.032 0.000 1.021 686 S CA -0.718 57.371 58.200 -0.185 0.000 1.006 686 S CB -0.624 62.366 63.200 -0.351 0.000 0.830 686 S HN 0.180 nan 8.310 nan 0.000 0.468 687 T N -1.349 113.163 114.554 -0.069 0.000 2.913 687 T HA 0.497 4.847 4.350 -0.000 0.000 0.287 687 T C 1.409 176.085 174.700 -0.041 0.000 1.008 687 T CA -0.584 61.473 62.100 -0.071 0.000 1.067 687 T CB 1.312 70.118 68.868 -0.103 0.000 0.996 687 T HN -0.026 nan 8.240 nan 0.000 0.513 688 V N 2.044 121.938 119.914 -0.034 0.000 2.343 688 V HA -0.172 3.948 4.120 -0.000 0.000 0.247 688 V C 2.668 178.738 176.094 -0.041 0.000 1.051 688 V CA 1.863 64.141 62.300 -0.035 0.000 1.036 688 V CB -1.009 30.789 31.823 -0.042 0.000 0.654 688 V HN 0.827 nan 8.190 nan 0.000 0.451 689 M N 1.239 120.799 119.600 -0.066 0.000 2.195 689 M HA -0.157 4.323 4.480 -0.000 0.000 0.260 689 M C 2.232 178.507 176.300 -0.043 0.000 1.066 689 M CA 2.142 57.399 55.300 -0.072 0.000 1.089 689 M CB -0.975 31.591 32.600 -0.056 0.000 1.377 689 M HN 0.552 nan 8.290 nan 0.000 0.411 690 S N -0.793 114.889 115.700 -0.029 0.000 2.561 690 S HA 0.027 4.497 4.470 -0.000 0.000 0.225 690 S C 1.674 176.274 174.600 0.000 0.000 0.977 690 S CA 0.307 58.497 58.200 -0.016 0.000 0.926 690 S CB -0.283 62.904 63.200 -0.021 0.000 0.769 690 S HN 0.514 nan 8.310 nan 0.000 0.533 691 R N 0.158 120.671 120.500 0.023 0.000 2.468 691 R HA 0.450 4.790 4.340 -0.000 0.000 0.280 691 R C 2.041 178.437 176.300 0.161 0.000 0.963 691 R CA 0.429 56.560 56.100 0.052 0.000 1.083 691 R CB -0.071 30.241 30.300 0.019 0.000 1.200 691 R HN 0.464 nan 8.270 nan 0.000 0.541 692 A N 1.718 124.606 122.820 0.114 0.000 1.892 692 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 692 A C 1.884 179.569 177.584 0.169 0.000 1.188 692 A CA 1.358 53.455 52.037 0.099 0.000 0.631 692 A CB -0.202 18.765 19.000 -0.055 0.000 0.822 692 A HN 0.193 nan 8.150 nan 0.000 0.447 693 E N 0.197 120.451 120.200 0.090 0.000 2.086 693 E HA -0.223 4.127 4.350 -0.000 0.000 0.200 693 E C 1.655 178.306 176.600 0.084 0.000 1.012 693 E CA 1.414 57.858 56.400 0.074 0.000 0.812 693 E CB -0.435 29.289 29.700 0.040 0.000 0.743 693 E HN 0.587 nan 8.360 nan 0.000 0.453 694 N N 0.015 118.748 118.700 0.055 0.000 2.443 694 N HA -0.121 4.619 4.740 -0.000 0.000 0.184 694 N C 1.400 176.869 175.510 -0.069 0.000 1.037 694 N CA 0.471 53.502 53.050 -0.032 0.000 0.896 694 N CB -0.331 38.085 38.487 -0.118 0.000 0.959 694 N HN 0.146 nan 8.380 nan 0.000 0.442 695 F N 1.338 121.241 119.950 -0.079 0.000 2.722 695 F HA 0.023 4.550 4.527 0.000 0.000 0.298 695 F C 2.039 177.845 175.800 0.009 0.000 1.175 695 F CA 0.545 58.496 58.000 -0.081 0.000 1.462 695 F CB 0.041 38.938 39.000 -0.171 0.000 1.111 695 F HN -0.071 nan 8.300 nan 0.000 0.592 696 K N -0.120 120.375 120.400 0.158 0.000 2.209 696 K HA -0.186 4.134 4.320 -0.000 0.000 0.204 696 K C 1.798 178.457 176.600 0.099 0.000 1.048 696 K CA 1.154 57.515 56.287 0.124 0.000 0.940 696 K CB -0.120 32.432 32.500 0.087 0.000 0.729 696 K HN 0.373 nan 8.250 nan 0.000 0.451 697 Q N 0.052 119.890 119.800 0.064 0.000 2.432 697 Q HA -0.001 4.339 4.340 -0.000 0.000 0.205 697 Q C 0.246 176.293 176.000 0.077 0.000 0.945 697 Q CA 0.253 56.087 55.803 0.052 0.000 0.924 697 Q CB 0.660 29.409 28.738 0.018 0.000 1.016 697 Q HN 0.137 nan 8.270 nan 0.000 0.503 698 V N -2.976 117.000 119.914 0.103 0.000 3.074 698 V HA 0.468 4.588 4.120 -0.000 0.000 0.314 698 V C -0.967 175.275 176.094 0.246 0.000 1.117 698 V CA -1.204 61.185 62.300 0.149 0.000 1.014 698 V CB 2.176 34.051 31.823 0.087 0.000 1.057 698 V HN -0.061 nan 8.190 nan 0.000 0.438 699 E N 1.555 121.933 120.200 0.297 0.000 2.115 699 E HA 0.424 4.774 4.350 -0.000 0.000 0.282 699 E C -1.810 175.166 176.600 0.628 0.000 0.987 699 E CA -0.367 56.282 56.400 0.414 0.000 0.797 699 E CB 1.624 31.504 29.700 0.301 0.000 1.086 699 E HN 0.680 nan 8.360 nan 0.000 0.397 700 Y N 3.288 123.847 120.300 0.432 0.000 2.446 700 Y HA 0.523 5.073 4.550 -0.000 0.000 0.338 700 Y C -1.455 174.529 175.900 0.140 0.000 1.055 700 Y CA -1.543 56.751 58.100 0.323 0.000 1.101 700 Y CB 1.121 39.799 38.460 0.363 0.000 1.221 700 Y HN 0.410 nan 8.280 nan 0.000 0.460 701 L N 7.024 127.941 121.223 -0.509 0.000 2.441 701 L HA 0.556 4.896 4.340 -0.000 0.000 0.270 701 L C -2.358 174.067 176.870 -0.742 0.000 0.973 701 L CA -0.705 53.726 54.840 -0.681 0.000 0.842 701 L CB 1.435 42.808 42.059 -1.144 0.000 1.239 701 L HN 0.611 nan 8.230 nan 0.000 0.406 702 L N 6.439 127.331 121.223 -0.552 0.000 2.296 702 L HA 0.708 5.048 4.340 -0.000 0.000 0.286 702 L C -1.073 175.679 176.870 -0.196 0.000 1.023 702 L CA -0.044 54.537 54.840 -0.432 0.000 0.812 702 L CB 1.279 43.151 42.059 -0.310 0.000 1.223 702 L HN 0.581 nan 8.230 nan 0.000 0.421 703 I N 4.485 124.949 120.570 -0.177 0.000 2.534 703 I HA 0.388 4.558 4.170 -0.000 0.000 0.288 703 I C -1.199 174.888 176.117 -0.049 0.000 1.077 703 I CA -0.611 60.635 61.300 -0.089 0.000 1.051 703 I CB 1.910 39.825 38.000 -0.141 0.000 1.234 703 I HN 0.647 nan 8.210 nan 0.000 0.425 704 H N 2.576 121.686 119.070 0.065 0.000 2.930 704 H HA 0.616 5.172 4.556 -0.000 0.000 0.371 704 H C -0.186 175.369 175.328 0.379 0.000 1.169 704 H CA -0.540 55.597 56.048 0.149 0.000 1.157 704 H CB 2.287 32.053 29.762 0.006 0.000 1.789 704 H HN 0.714 nan 8.280 nan 0.000 0.547 705 G N 0.388 109.547 108.800 0.599 0.000 2.395 705 G HA2 0.225 4.185 3.960 -0.000 0.000 0.283 705 G HA3 0.225 4.185 3.960 -0.000 0.000 0.283 705 G C 1.033 176.249 174.900 0.526 0.000 1.178 705 G CA 0.091 45.508 45.100 0.528 0.000 0.837 705 G HN 0.756 nan 8.290 nan 0.000 0.518 706 T N -0.868 113.850 114.554 0.273 0.000 2.985 706 T HA 0.097 4.447 4.350 -0.000 0.000 0.266 706 T C 1.769 176.460 174.700 -0.015 0.000 1.076 706 T CA 1.222 63.307 62.100 -0.025 0.000 1.135 706 T CB 0.156 68.938 68.868 -0.143 0.000 0.890 706 T HN 0.670 nan 8.240 nan 0.000 0.480 707 A N 1.207 124.082 122.820 0.092 0.000 2.684 707 A HA 0.312 4.632 4.320 -0.000 0.000 0.288 707 A C 0.405 177.998 177.584 0.014 0.000 1.337 707 A CA -0.476 51.617 52.037 0.093 0.000 0.946 707 A CB -0.416 18.822 19.000 0.397 0.000 1.093 707 A HN 0.361 nan 8.150 nan 0.000 0.543 708 D N 1.398 121.799 120.400 0.002 0.000 2.344 708 D HA 0.016 4.656 4.640 -0.000 0.000 0.253 708 D C 0.479 176.744 176.300 -0.059 0.000 1.255 708 D CA 0.029 54.109 54.000 0.133 0.000 0.894 708 D CB 0.670 41.694 40.800 0.374 0.000 1.067 708 D HN 0.560 nan 8.370 nan 0.000 0.492 709 D N 2.134 122.547 120.400 0.022 0.000 2.333 709 D HA -0.100 4.540 4.640 -0.000 0.000 0.208 709 D C 0.975 177.221 176.300 -0.090 0.000 0.984 709 D CA 0.096 54.064 54.000 -0.054 0.000 0.873 709 D CB 0.271 41.006 40.800 -0.109 0.000 0.935 709 D HN 0.396 nan 8.370 nan 0.000 0.521 710 N N 0.129 118.851 118.700 0.038 0.000 2.272 710 N HA -0.029 4.711 4.740 -0.000 0.000 0.195 710 N C -0.130 175.220 175.510 -0.266 0.000 1.048 710 N CA 0.300 53.384 53.050 0.057 0.000 0.912 710 N CB 0.600 39.177 38.487 0.150 0.000 1.096 710 N HN -0.176 nan 8.380 nan 0.000 0.471 711 V N 2.265 122.047 119.914 -0.219 0.000 2.339 711 V HA 0.160 4.280 4.120 -0.000 0.000 0.261 711 V C -0.819 175.276 176.094 0.001 0.000 1.058 711 V CA -0.194 62.042 62.300 -0.107 0.000 0.897 711 V CB -0.139 31.664 31.823 -0.033 0.000 1.052 711 V HN 0.349 nan 8.190 nan 0.000 0.480 712 H N 3.390 122.409 119.070 -0.084 0.000 2.815 712 H HA 0.042 4.598 4.556 0.000 0.000 0.350 712 H C 0.775 175.927 175.328 -0.293 0.000 1.080 712 H CA -0.177 55.742 56.048 -0.214 0.000 1.433 712 H CB 0.741 30.295 29.762 -0.347 0.000 1.432 712 H HN 0.619 nan 8.280 nan 0.000 0.592 713 F N 2.032 121.741 119.950 -0.401 0.000 2.184 713 F HA -0.348 4.179 4.527 0.000 0.000 0.301 713 F C 2.618 178.116 175.800 -0.502 0.000 1.076 713 F CA 1.923 59.492 58.000 -0.719 0.000 1.295 713 F CB -0.169 38.603 39.000 -0.380 0.000 1.026 713 F HN 0.686 nan 8.300 nan 0.000 0.494 714 Q N 0.148 119.813 119.800 -0.225 0.000 2.182 714 Q HA -0.344 3.996 4.340 -0.000 0.000 0.213 714 Q C 2.082 177.804 176.000 -0.462 0.000 1.000 714 Q CA 2.490 58.094 55.803 -0.332 0.000 0.889 714 Q CB -0.375 28.128 28.738 -0.391 0.000 0.932 714 Q HN 0.619 nan 8.270 nan 0.000 0.415 715 Q N -0.380 119.176 119.800 -0.407 0.000 2.020 715 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 715 Q C 2.373 178.253 176.000 -0.201 0.000 0.982 715 Q CA 1.672 57.350 55.803 -0.208 0.000 0.838 715 Q CB -0.182 28.536 28.738 -0.033 0.000 0.899 715 Q HN 0.325 nan 8.270 nan 0.000 0.423 716 S N 0.815 116.316 115.700 -0.332 0.000 2.356 716 S HA -0.127 4.343 4.470 -0.000 0.000 0.223 716 S C 2.115 176.484 174.600 -0.384 0.000 1.032 716 S CA 0.957 58.963 58.200 -0.323 0.000 1.005 716 S CB -0.317 62.672 63.200 -0.352 0.000 0.867 716 S HN 0.504 nan 8.310 nan 0.000 0.449 717 A N 1.442 123.923 122.820 -0.564 0.000 1.927 717 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 717 A C 2.127 179.611 177.584 -0.166 0.000 1.185 717 A CA 1.568 53.413 52.037 -0.319 0.000 0.639 717 A CB -0.588 18.286 19.000 -0.210 0.000 0.820 717 A HN 0.441 nan 8.150 nan 0.000 0.451 718 Q N -0.649 119.052 119.800 -0.165 0.000 2.123 718 Q HA -0.031 4.309 4.340 -0.000 0.000 0.199 718 Q C 2.200 178.146 176.000 -0.090 0.000 0.966 718 Q CA 1.137 56.895 55.803 -0.075 0.000 0.845 718 Q CB -0.374 28.379 28.738 0.026 0.000 0.907 718 Q HN 0.791 nan 8.270 nan 0.000 0.439 719 I N 1.342 121.834 120.570 -0.130 0.000 2.127 719 I HA -0.328 3.842 4.170 -0.000 0.000 0.241 719 I C 2.578 178.530 176.117 -0.275 0.000 1.075 719 I CA 1.653 62.831 61.300 -0.203 0.000 1.334 719 I CB -0.501 37.383 38.000 -0.193 0.000 1.040 719 I HN 0.202 nan 8.210 nan 0.000 0.405 720 S N 0.613 116.184 115.700 -0.215 0.000 2.370 720 S HA -0.284 4.186 4.470 -0.000 0.000 0.226 720 S C 2.034 176.611 174.600 -0.037 0.000 1.033 720 S CA 1.409 59.527 58.200 -0.137 0.000 1.011 720 S CB -0.489 62.795 63.200 0.141 0.000 0.852 720 S HN 0.376 nan 8.310 nan 0.000 0.457 721 K N 1.569 121.948 120.400 -0.035 0.000 2.026 721 K HA -0.012 4.308 4.320 -0.000 0.000 0.208 721 K C 2.470 179.052 176.600 -0.031 0.000 1.048 721 K CA 1.171 57.454 56.287 -0.006 0.000 0.929 721 K CB -0.663 31.830 32.500 -0.012 0.000 0.713 721 K HN 0.455 nan 8.250 nan 0.000 0.439 722 A N 1.306 124.078 122.820 -0.080 0.000 1.908 722 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 722 A C 2.114 179.628 177.584 -0.117 0.000 1.181 722 A CA 1.468 53.449 52.037 -0.093 0.000 0.627 722 A CB -0.677 18.251 19.000 -0.119 0.000 0.818 722 A HN 0.301 nan 8.150 nan 0.000 0.445 723 L N -0.714 120.379 121.223 -0.215 0.000 2.046 723 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 723 L C 2.525 179.402 176.870 0.011 0.000 1.077 723 L CA 1.125 55.836 54.840 -0.215 0.000 0.747 723 L CB -0.627 41.081 42.059 -0.586 0.000 0.896 723 L HN 0.244 nan 8.230 nan 0.000 0.432 724 V N -0.362 119.605 119.914 0.090 0.000 2.343 724 V HA -0.299 3.821 4.120 -0.000 0.000 0.247 724 V C 2.033 178.164 176.094 0.060 0.000 1.051 724 V CA 1.877 64.251 62.300 0.123 0.000 1.036 724 V CB -0.541 31.359 31.823 0.129 0.000 0.654 724 V HN 0.417 nan 8.190 nan 0.000 0.451 725 D N -0.687 119.730 120.400 0.028 0.000 2.265 725 D HA -0.113 4.527 4.640 -0.000 0.000 0.208 725 D C 1.489 177.800 176.300 0.019 0.000 0.977 725 D CA 1.143 55.153 54.000 0.017 0.000 0.871 725 D CB 0.138 40.939 40.800 0.002 0.000 0.925 725 D HN 0.374 nan 8.370 nan 0.000 0.485 726 V N -1.099 118.828 119.914 0.022 0.000 3.166 726 V HA 0.347 4.467 4.120 -0.000 0.000 0.332 726 V C 0.691 176.813 176.094 0.047 0.000 1.434 726 V CA 0.653 62.970 62.300 0.029 0.000 1.121 726 V CB 0.254 32.090 31.823 0.021 0.000 1.062 726 V HN 0.273 nan 8.190 nan 0.000 0.489 727 G N 1.155 109.991 108.800 0.061 0.000 2.256 727 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.272 727 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.272 727 G C -0.099 174.862 174.900 0.101 0.000 1.076 727 G CA 0.378 45.523 45.100 0.076 0.000 0.882 727 G HN 0.744 nan 8.290 nan 0.000 0.497 728 V N 0.461 120.455 119.914 0.134 0.000 2.370 728 V HA 0.432 4.552 4.120 -0.000 0.000 0.279 728 V C 0.431 176.702 176.094 0.295 0.000 1.029 728 V CA -0.694 61.713 62.300 0.179 0.000 0.870 728 V CB 1.696 33.608 31.823 0.149 0.000 0.984 728 V HN 0.439 nan 8.190 nan 0.000 0.451 729 D N 4.179 124.726 120.400 0.246 0.000 2.341 729 D HA 0.562 5.202 4.640 -0.000 0.000 0.245 729 D C -0.566 175.967 176.300 0.388 0.000 1.106 729 D CA 0.348 54.490 54.000 0.236 0.000 0.905 729 D CB 0.681 41.556 40.800 0.124 0.000 1.202 729 D HN 0.392 nan 8.370 nan 0.000 0.426 730 F N -0.356 119.666 119.950 0.120 0.000 2.773 730 F HA 0.418 4.945 4.527 0.000 0.000 0.314 730 F C -1.626 174.226 175.800 0.087 0.000 1.160 730 F CA -1.105 56.987 58.000 0.154 0.000 0.920 730 F CB 0.777 39.898 39.000 0.202 0.000 1.323 730 F HN 0.128 nan 8.300 nan 0.000 0.457 731 Q N 1.420 121.276 119.800 0.094 0.000 2.266 731 Q HA 0.820 5.160 4.340 -0.000 0.000 0.261 731 Q C -0.968 174.992 176.000 -0.068 0.000 0.985 731 Q CA -0.984 54.777 55.803 -0.070 0.000 0.873 731 Q CB 2.325 31.077 28.738 0.023 0.000 1.306 731 Q HN 1.026 nan 8.270 nan 0.000 0.447 732 A N 2.168 124.922 122.820 -0.109 0.000 2.515 732 A HA 0.854 5.174 4.320 -0.000 0.000 0.296 732 A C -1.191 176.342 177.584 -0.086 0.000 1.094 732 A CA -0.581 51.433 52.037 -0.038 0.000 0.718 732 A CB 1.984 21.004 19.000 0.033 0.000 1.307 732 A HN 0.586 nan 8.150 nan 0.000 0.408 733 M N 1.500 121.052 119.600 -0.081 0.000 2.274 733 M HA 0.328 4.808 4.480 -0.000 0.000 0.272 733 M C -1.950 174.281 176.300 -0.115 0.000 1.053 733 M CA -0.553 54.587 55.300 -0.267 0.000 0.978 733 M CB 1.449 33.837 32.600 -0.353 0.000 1.836 733 M HN 0.924 nan 8.290 nan 0.000 0.484 734 W N 3.954 125.122 121.300 -0.220 0.000 2.516 734 W HA 0.771 5.431 4.660 -0.000 0.000 0.343 734 W C -1.945 174.342 176.519 -0.386 0.000 1.094 734 W CA -0.759 56.536 57.345 -0.083 0.000 1.250 734 W CB 0.374 29.844 29.460 0.016 0.000 1.308 734 W HN 0.537 nan 8.180 nan 0.000 0.588 735 Y N 2.042 122.514 120.300 0.286 0.000 2.326 735 Y HA 0.339 4.889 4.550 0.000 0.000 0.331 735 Y C 0.328 176.355 175.900 0.210 0.000 0.962 735 Y CA -1.158 57.021 58.100 0.130 0.000 1.167 735 Y CB 1.803 40.305 38.460 0.069 0.000 1.148 735 Y HN 0.412 nan 8.280 nan 0.000 0.463 736 T N 4.613 119.346 114.554 0.298 0.000 2.799 736 T HA 0.085 4.435 4.350 -0.000 0.000 0.296 736 T C -0.003 174.766 174.700 0.114 0.000 0.947 736 T CA 0.225 62.444 62.100 0.199 0.000 1.141 736 T CB 0.000 68.941 68.868 0.121 0.000 0.891 736 T HN 0.712 nan 8.240 nan 0.000 0.533 737 D N 0.740 121.161 120.400 0.035 0.000 2.946 737 D HA -0.119 4.521 4.640 -0.000 0.000 0.202 737 D C 0.218 176.602 176.300 0.139 0.000 1.068 737 D CA 1.137 55.068 54.000 -0.115 0.000 1.011 737 D CB -0.440 40.178 40.800 -0.305 0.000 1.105 737 D HN 0.514 nan 8.370 nan 0.000 0.425 738 E N 1.075 121.398 120.200 0.205 0.000 2.343 738 E HA 0.337 4.687 4.350 -0.000 0.000 0.269 738 E C 0.862 177.636 176.600 0.291 0.000 1.047 738 E CA -0.159 56.389 56.400 0.247 0.000 0.874 738 E CB 1.024 30.867 29.700 0.238 0.000 1.033 738 E HN 0.384 nan 8.360 nan 0.000 0.409 739 D N 0.117 120.704 120.400 0.311 0.000 2.358 739 D HA -0.021 4.619 4.640 -0.000 0.000 0.287 739 D C 1.134 177.667 176.300 0.389 0.000 1.181 739 D CA 0.076 54.284 54.000 0.347 0.000 1.103 739 D CB -0.267 40.762 40.800 0.382 0.000 1.168 739 D HN 0.416 nan 8.370 nan 0.000 0.552 740 H N -1.517 117.728 119.070 0.292 0.000 2.428 740 H HA 0.204 4.760 4.556 -0.000 0.000 0.296 740 H C 2.008 177.575 175.328 0.397 0.000 1.062 740 H CA 1.888 58.131 56.048 0.326 0.000 1.350 740 H CB -0.407 29.531 29.762 0.294 0.000 1.403 740 H HN 0.447 nan 8.280 nan 0.000 0.533 741 G N 0.250 109.204 108.800 0.256 0.000 2.464 741 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.217 741 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.217 741 G C 0.613 175.645 174.900 0.219 0.000 1.138 741 G CA 0.404 45.560 45.100 0.095 0.000 0.793 741 G HN 0.531 nan 8.290 nan 0.000 0.539 742 I N -0.016 120.725 120.570 0.285 0.000 6.347 742 I HA -0.310 3.860 4.170 -0.000 0.000 0.126 742 I C 1.386 177.606 176.117 0.172 0.000 1.576 742 I CA 0.142 61.571 61.300 0.216 0.000 2.463 742 I CB -1.401 36.714 38.000 0.192 0.000 2.990 742 I HN 0.259 nan 8.210 nan 0.000 0.281 743 A N 1.711 124.605 122.820 0.123 0.000 2.390 743 A HA 0.262 4.582 4.320 -0.000 0.000 0.232 743 A C 1.158 178.768 177.584 0.043 0.000 1.233 743 A CA 0.601 52.668 52.037 0.051 0.000 0.907 743 A CB 0.221 19.226 19.000 0.008 0.000 0.967 743 A HN 0.696 nan 8.150 nan 0.000 0.512 744 S N -0.130 115.619 115.700 0.081 0.000 2.560 744 S HA 0.125 4.595 4.470 -0.000 0.000 0.284 744 S C 1.190 175.837 174.600 0.078 0.000 1.327 744 S CA 0.463 58.708 58.200 0.076 0.000 1.055 744 S CB 0.986 64.240 63.200 0.089 0.000 0.868 744 S HN 0.417 nan 8.310 nan 0.000 0.506 745 S N 2.878 118.614 115.700 0.060 0.000 2.368 745 S HA -0.193 4.277 4.470 -0.000 0.000 0.226 745 S C 2.126 176.782 174.600 0.092 0.000 1.044 745 S CA 2.442 60.682 58.200 0.067 0.000 1.062 745 S CB -1.443 61.779 63.200 0.037 0.000 0.931 745 S HN 1.066 nan 8.310 nan 0.000 0.440 746 T N -0.234 114.362 114.554 0.069 0.000 2.867 746 T HA 0.180 4.530 4.350 -0.000 0.000 0.268 746 T C 1.905 176.650 174.700 0.074 0.000 1.057 746 T CA 1.241 63.381 62.100 0.068 0.000 1.136 746 T CB -0.719 68.181 68.868 0.053 0.000 0.874 746 T HN 0.439 nan 8.240 nan 0.000 0.466 747 A N 1.490 124.335 122.820 0.042 0.000 1.898 747 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 747 A C 2.184 179.720 177.584 -0.080 0.000 1.181 747 A CA 1.873 53.865 52.037 -0.075 0.000 0.620 747 A CB -1.231 17.701 19.000 -0.113 0.000 0.819 747 A HN 0.692 nan 8.150 nan 0.000 0.442 748 H N -0.022 119.024 119.070 -0.040 0.000 2.289 748 H HA -0.190 4.366 4.556 -0.000 0.000 0.296 748 H C 2.125 177.502 175.328 0.082 0.000 1.091 748 H CA 2.490 58.565 56.048 0.045 0.000 1.274 748 H CB -0.307 29.479 29.762 0.039 0.000 1.364 748 H HN 0.578 nan 8.280 nan 0.000 0.490 749 Q N -1.100 118.675 119.800 -0.041 0.000 2.096 749 Q HA -0.212 4.128 4.340 -0.000 0.000 0.204 749 Q C 2.312 178.285 176.000 -0.045 0.000 0.982 749 Q CA 1.556 57.301 55.803 -0.095 0.000 0.850 749 Q CB -0.233 28.495 28.738 -0.017 0.000 0.901 749 Q HN 0.645 nan 8.270 nan 0.000 0.422 750 H N 0.551 119.579 119.070 -0.070 0.000 2.299 750 H HA -0.084 4.472 4.556 -0.000 0.000 0.302 750 H C 2.136 177.453 175.328 -0.018 0.000 1.078 750 H CA 1.483 57.523 56.048 -0.013 0.000 1.323 750 H CB -0.103 29.699 29.762 0.066 0.000 1.381 750 H HN 0.291 nan 8.280 nan 0.000 0.498 751 I N 0.259 120.809 120.570 -0.034 0.000 2.127 751 I HA -0.364 3.806 4.170 -0.000 0.000 0.241 751 I C 1.936 177.858 176.117 -0.326 0.000 1.075 751 I CA 1.557 62.759 61.300 -0.163 0.000 1.334 751 I CB -0.344 37.405 38.000 -0.419 0.000 1.040 751 I HN 0.151 nan 8.210 nan 0.000 0.405 752 Y N 0.975 121.081 120.300 -0.324 0.000 2.242 752 Y HA -0.219 4.331 4.550 -0.000 0.000 0.291 752 Y C 2.748 178.447 175.900 -0.335 0.000 1.137 752 Y CA 1.932 59.728 58.100 -0.507 0.000 1.181 752 Y CB -0.971 37.178 38.460 -0.519 0.000 0.989 752 Y HN 0.180 nan 8.280 nan 0.000 0.527 753 T N -1.589 112.891 114.554 -0.125 0.000 2.746 753 T HA -0.247 4.103 4.350 -0.000 0.000 0.267 753 T C 1.562 176.158 174.700 -0.172 0.000 1.039 753 T CA 1.956 63.948 62.100 -0.180 0.000 1.142 753 T CB -0.416 68.335 68.868 -0.196 0.000 0.866 753 T HN 0.417 nan 8.240 nan 0.000 0.444 754 H N 0.646 119.582 119.070 -0.222 0.000 2.357 754 H HA 0.160 4.716 4.556 -0.000 0.000 0.301 754 H C 2.155 177.465 175.328 -0.029 0.000 1.082 754 H CA 1.429 57.407 56.048 -0.117 0.000 1.342 754 H CB -0.195 29.495 29.762 -0.121 0.000 1.389 754 H HN 0.265 nan 8.280 nan 0.000 0.511 755 M N -0.925 118.623 119.600 -0.087 0.000 2.229 755 M HA -0.134 4.346 4.480 -0.000 0.000 0.264 755 M C 2.352 178.793 176.300 0.235 0.000 1.063 755 M CA 1.187 56.455 55.300 -0.053 0.000 1.114 755 M CB 0.057 32.408 32.600 -0.415 0.000 1.387 755 M HN 0.173 nan 8.290 nan 0.000 0.420 756 S N -0.539 115.315 115.700 0.257 0.000 2.370 756 S HA -0.162 4.308 4.470 -0.000 0.000 0.226 756 S C 1.735 176.445 174.600 0.184 0.000 1.033 756 S CA 1.127 59.545 58.200 0.362 0.000 1.011 756 S CB -0.485 62.901 63.200 0.310 0.000 0.852 756 S HN 0.458 nan 8.310 nan 0.000 0.457 757 H N -0.308 118.815 119.070 0.088 0.000 2.389 757 H HA 0.030 4.586 4.556 -0.000 0.000 0.299 757 H C 1.854 177.175 175.328 -0.013 0.000 1.081 757 H CA 0.965 57.018 56.048 0.008 0.000 1.345 757 H CB -0.647 29.077 29.762 -0.064 0.000 1.393 757 H HN 0.467 nan 8.280 nan 0.000 0.520 758 F N 0.338 120.271 119.950 -0.030 0.000 2.186 758 F HA -0.101 4.426 4.527 -0.000 0.000 0.299 758 F C 2.291 178.039 175.800 -0.087 0.000 1.090 758 F CA 0.740 58.694 58.000 -0.076 0.000 1.307 758 F CB -0.270 38.667 39.000 -0.104 0.000 1.019 758 F HN -0.017 nan 8.300 nan 0.000 0.489 759 I N 0.366 120.929 120.570 -0.011 0.000 2.406 759 I HA -0.187 3.983 4.170 -0.000 0.000 0.249 759 I C 2.292 178.161 176.117 -0.414 0.000 1.122 759 I CA 1.073 62.181 61.300 -0.320 0.000 1.431 759 I CB -0.444 37.427 38.000 -0.214 0.000 1.087 759 I HN -0.024 nan 8.210 nan 0.000 0.424 760 K N 0.176 120.499 120.400 -0.129 0.000 2.063 760 K HA -0.271 4.049 4.320 -0.000 0.000 0.208 760 K C 2.060 178.630 176.600 -0.049 0.000 1.048 760 K CA 2.045 58.315 56.287 -0.028 0.000 0.928 760 K CB -0.187 32.368 32.500 0.092 0.000 0.713 760 K HN 0.523 nan 8.250 nan 0.000 0.442 761 Q N 0.109 119.845 119.800 -0.107 0.000 2.230 761 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 761 Q C 2.180 178.090 176.000 -0.151 0.000 0.963 761 Q CA 1.449 57.184 55.803 -0.112 0.000 0.866 761 Q CB -0.607 28.057 28.738 -0.124 0.000 0.931 761 Q HN 0.266 nan 8.270 nan 0.000 0.452 762 c N -0.229 118.191 118.600 -0.300 0.000 2.432 762 c HA 0.055 4.625 4.570 -0.000 0.000 0.282 762 c C 1.221 175.371 174.090 0.100 0.000 1.388 762 c CA 0.203 56.382 56.329 -0.250 0.000 1.777 762 c CB -1.049 41.156 42.510 -0.509 0.000 1.882 762 c HN 0.647 nan 8.230 nan 0.000 0.520 763 F N 1.235 121.151 119.950 -0.057 0.000 2.678 763 F HA 0.284 4.811 4.527 0.000 0.000 0.305 763 F C 1.543 177.329 175.800 -0.023 0.000 1.090 763 F CA 0.028 58.013 58.000 -0.025 0.000 1.272 763 F CB -1.148 37.845 39.000 -0.011 0.000 1.060 763 F HN 0.136 nan 8.300 nan 0.000 0.576 764 S N 1.259 117.044 115.700 0.140 0.000 3.631 764 S HA -0.206 4.264 4.470 -0.000 0.000 0.366 764 S C -0.016 174.630 174.600 0.076 0.000 0.993 764 S CA 0.150 58.394 58.200 0.073 0.000 1.167 764 S CB -1.955 61.274 63.200 0.049 0.000 0.909 764 S HN 0.231 nan 8.310 nan 0.000 0.478 765 L N 1.346 122.626 121.223 0.096 0.000 2.262 765 L HA 0.416 4.756 4.340 -0.000 0.000 0.288 765 L C -1.621 175.289 176.870 0.067 0.000 1.035 765 L CA -1.825 53.068 54.840 0.088 0.000 0.820 765 L CB 0.769 42.902 42.059 0.124 0.000 1.204 765 L HN 0.077 nan 8.230 nan 0.000 0.424 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.129 63.100 0.048 0.000 0.800 766 P CB 0.000 31.720 31.700 0.034 0.000 0.726