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 2iit_1_A DATA FIRST_RESID 39 DATA SEQUENCE TRKTYTLTDY 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 T HA 0.000 nan 4.350 nan 0.000 0.228 39 T C 0.000 174.739 174.700 0.065 0.000 1.109 39 T CA 0.000 62.132 62.100 0.053 0.000 1.349 39 T CB 0.000 68.891 68.868 0.039 0.000 0.612 40 R N 2.481 123.028 120.500 0.079 0.000 2.738 40 R HA 0.572 4.913 4.340 0.001 0.000 0.275 40 R C 0.229 176.583 176.300 0.091 0.000 1.121 40 R CA -0.794 55.354 56.100 0.081 0.000 1.207 40 R CB 0.144 30.493 30.300 0.081 0.000 1.141 40 R HN 0.409 nan 8.270 nan 0.000 0.571 41 K N 0.021 120.479 120.400 0.097 0.000 2.180 41 K HA 0.153 4.474 4.320 0.001 0.000 0.251 41 K C -0.203 176.468 176.600 0.120 0.000 1.014 41 K CA -0.526 55.827 56.287 0.110 0.000 0.913 41 K CB 0.629 33.205 32.500 0.126 0.000 1.008 41 K HN 0.779 nan 8.250 nan 0.000 0.490 42 T N -2.123 112.511 114.554 0.134 0.000 2.949 42 T HA 0.172 4.523 4.350 0.001 0.000 0.287 42 T C -0.804 174.025 174.700 0.214 0.000 1.034 42 T CA -0.856 61.336 62.100 0.152 0.000 1.018 42 T CB 0.637 69.591 68.868 0.143 0.000 1.135 42 T HN 0.528 nan 8.240 nan 0.000 0.532 43 Y N 2.787 123.152 120.300 0.109 0.000 2.584 43 Y HA 0.364 4.914 4.550 0.001 0.000 0.351 43 Y C 1.046 177.107 175.900 0.268 0.000 1.030 43 Y CA -0.182 58.022 58.100 0.172 0.000 1.332 43 Y CB -0.226 38.294 38.460 0.101 0.000 1.148 43 Y HN 1.020 nan 8.280 nan 0.000 0.528 44 T N 2.283 116.844 114.554 0.011 0.000 2.862 44 T HA 0.129 4.480 4.350 0.001 0.000 0.276 44 T C 0.961 175.568 174.700 -0.154 0.000 0.974 44 T CA -0.658 61.492 62.100 0.084 0.000 0.966 44 T CB 1.125 70.006 68.868 0.021 0.000 1.072 44 T HN 0.674 nan 8.240 nan 0.000 0.538 45 L N 0.778 121.729 121.223 -0.453 0.000 2.056 45 L HA 0.052 4.392 4.340 0.001 0.000 0.207 45 L C 2.649 179.364 176.870 -0.257 0.000 1.078 45 L CA 2.102 56.552 54.840 -0.650 0.000 0.749 45 L CB -1.428 40.131 42.059 -0.833 0.000 0.901 45 L HN 0.953 nan 8.230 nan 0.000 0.433 46 T N -0.546 113.886 114.554 -0.202 0.000 2.788 46 T HA -0.154 4.197 4.350 0.001 0.000 0.268 46 T C 1.463 176.067 174.700 -0.160 0.000 1.044 46 T CA 1.440 63.452 62.100 -0.147 0.000 1.139 46 T CB -0.359 68.448 68.868 -0.102 0.000 0.867 46 T HN 0.387 nan 8.240 nan 0.000 0.454 47 D N 0.174 120.447 120.400 -0.211 0.000 2.117 47 D HA -0.085 4.556 4.640 0.001 0.000 0.197 47 D C 1.726 177.912 176.300 -0.189 0.000 0.987 47 D CA 0.973 54.816 54.000 -0.261 0.000 0.829 47 D CB -0.371 40.183 40.800 -0.410 0.000 0.961 47 D HN 0.437 nan 8.370 nan 0.000 0.460 48 Y N 1.440 121.548 120.300 -0.319 0.000 2.200 48 Y HA -0.073 4.478 4.550 0.001 0.000 0.290 48 Y C 2.086 177.991 175.900 0.009 0.000 1.137 48 Y CA 1.156 59.245 58.100 -0.017 0.000 1.163 48 Y CB -0.535 37.992 38.460 0.111 0.000 0.988 48 Y HN -0.097 nan 8.280 nan 0.000 0.518 49 L N -0.005 121.007 121.223 -0.351 0.000 2.156 49 L HA -0.127 4.214 4.340 0.001 0.000 0.208 49 L C 1.750 178.503 176.870 -0.195 0.000 1.095 49 L CA 1.157 55.775 54.840 -0.371 0.000 0.770 49 L CB -0.385 41.528 42.059 -0.243 0.000 0.914 49 L HN 0.050 nan 8.230 nan 0.000 0.439 50 K N -0.258 120.056 120.400 -0.144 0.000 2.372 50 K HA 0.134 4.454 4.320 0.001 0.000 0.200 50 K C 0.071 176.623 176.600 -0.080 0.000 1.022 50 K CA -0.125 56.102 56.287 -0.099 0.000 1.125 50 K CB 0.077 32.520 32.500 -0.095 0.000 0.855 50 K HN 0.184 nan 8.250 nan 0.000 0.524 51 N N 1.333 119.998 118.700 -0.058 0.000 2.727 51 N HA -0.161 4.580 4.740 0.001 0.000 0.249 51 N C 0.442 175.937 175.510 -0.025 0.000 1.048 51 N CA 1.022 54.079 53.050 0.011 0.000 0.714 51 N CB -1.516 36.976 38.487 0.008 0.000 0.959 51 N HN 0.175 nan 8.380 nan 0.000 0.544 52 T N -1.059 113.422 114.554 -0.121 0.000 2.699 52 T HA -0.191 4.160 4.350 0.001 0.000 0.268 52 T C 0.522 174.968 174.700 -0.425 0.000 1.036 52 T CA 1.412 63.304 62.100 -0.347 0.000 1.147 52 T CB -0.139 68.375 68.868 -0.589 0.000 0.862 52 T HN 0.369 nan 8.240 nan 0.000 0.446 53 Y N 2.058 122.449 120.300 0.153 0.000 2.491 53 Y HA 0.449 4.999 4.550 0.001 0.000 0.334 53 Y C 0.285 176.291 175.900 0.177 0.000 0.969 53 Y CA -1.165 57.046 58.100 0.184 0.000 1.241 53 Y CB 0.263 38.889 38.460 0.278 0.000 1.105 53 Y HN -0.052 nan 8.280 nan 0.000 0.503 54 R N 2.622 123.253 120.500 0.219 0.000 2.297 54 R HA 0.461 4.802 4.340 0.001 0.000 0.308 54 R C -1.109 175.297 176.300 0.176 0.000 1.029 54 R CA -0.946 55.256 56.100 0.170 0.000 0.929 54 R CB 0.874 31.233 30.300 0.099 0.000 1.046 54 R HN 0.394 nan 8.270 nan 0.000 0.461 55 L N 3.108 124.439 121.223 0.180 0.000 2.367 55 L HA 0.176 4.517 4.340 0.001 0.000 0.275 55 L C 0.368 177.319 176.870 0.135 0.000 1.129 55 L CA 0.461 55.404 54.840 0.172 0.000 0.839 55 L CB 0.546 42.726 42.059 0.202 0.000 1.133 55 L HN 0.427 nan 8.230 nan 0.000 0.453 56 K N 3.099 123.572 120.400 0.122 0.000 2.144 56 K HA 0.613 4.934 4.320 0.001 0.000 0.270 56 K C -0.861 175.785 176.600 0.076 0.000 1.005 56 K CA -0.616 55.722 56.287 0.085 0.000 0.932 56 K CB 1.134 33.677 32.500 0.072 0.000 1.021 56 K HN 0.249 nan 8.250 nan 0.000 0.462 57 L N 1.301 122.504 121.223 -0.034 0.000 2.211 57 L HA 0.466 4.806 4.340 0.001 0.000 0.259 57 L C -1.106 175.507 176.870 -0.428 0.000 1.031 57 L CA -0.702 53.981 54.840 -0.261 0.000 0.877 57 L CB 0.592 42.622 42.059 -0.048 0.000 1.457 57 L HN 0.508 nan 8.230 nan 0.000 0.466 58 Y N -0.173 119.626 120.300 -0.835 0.000 2.489 58 Y HA 0.394 4.945 4.550 0.001 0.000 0.339 58 Y C -0.844 174.901 175.900 -0.258 0.000 1.135 58 Y CA -0.386 57.414 58.100 -0.500 0.000 1.321 58 Y CB 1.145 39.135 38.460 -0.783 0.000 1.098 58 Y HN 0.442 nan 8.280 nan 0.000 0.590 59 S N 5.835 121.465 115.700 -0.116 0.000 2.411 59 S HA 0.442 4.912 4.470 0.001 0.000 0.304 59 S C -0.432 174.127 174.600 -0.069 0.000 1.098 59 S CA -0.525 57.646 58.200 -0.048 0.000 1.068 59 S CB -0.432 62.753 63.200 -0.025 0.000 1.032 59 S HN 0.553 nan 8.310 nan 0.000 0.511 60 L N 1.754 122.889 121.223 -0.146 0.000 2.331 60 L HA 0.795 5.136 4.340 0.001 0.000 0.268 60 L C -0.166 176.598 176.870 -0.176 0.000 1.015 60 L CA -0.855 53.849 54.840 -0.228 0.000 0.807 60 L CB 0.691 42.298 42.059 -0.754 0.000 1.293 60 L HN 0.306 nan 8.230 nan 0.000 0.451 61 R N 0.345 120.783 120.500 -0.104 0.000 2.473 61 R HA 0.360 4.701 4.340 0.001 0.000 0.303 61 R C -1.784 174.553 176.300 0.063 0.000 1.002 61 R CA -0.323 55.782 56.100 0.007 0.000 0.884 61 R CB 1.025 31.376 30.300 0.085 0.000 1.173 61 R HN 0.658 nan 8.270 nan 0.000 0.464 62 W N 4.215 125.622 121.300 0.178 0.000 2.251 62 W HA 0.140 4.800 4.660 0.001 0.000 0.327 62 W C 1.542 178.156 176.519 0.159 0.000 1.361 62 W CA -0.419 57.047 57.345 0.202 0.000 1.234 62 W CB 0.513 30.082 29.460 0.182 0.000 1.212 62 W HN 0.652 nan 8.180 nan 0.000 0.557 63 I N 0.222 121.033 120.570 0.403 0.000 4.227 63 I HA 0.325 4.496 4.170 0.001 0.000 0.334 63 I C 0.613 176.870 176.117 0.234 0.000 1.341 63 I CA -0.124 61.319 61.300 0.240 0.000 1.123 63 I CB -0.125 37.951 38.000 0.127 0.000 1.097 63 I HN 0.284 nan 8.210 nan 0.000 0.399 64 S N -0.406 115.479 115.700 0.308 0.000 2.815 64 S HA 0.259 4.730 4.470 0.001 0.000 0.296 64 S C -0.266 174.461 174.600 0.212 0.000 1.224 64 S CA -0.150 58.199 58.200 0.248 0.000 0.938 64 S CB 1.369 64.731 63.200 0.271 0.000 1.285 64 S HN 0.059 nan 8.310 nan 0.000 0.549 65 D N -0.862 119.610 120.400 0.119 0.000 2.340 65 D HA 0.239 4.880 4.640 0.001 0.000 0.220 65 D C 0.987 177.153 176.300 -0.223 0.000 1.039 65 D CA 0.740 54.664 54.000 -0.128 0.000 0.866 65 D CB 0.019 40.670 40.800 -0.248 0.000 0.913 65 D HN 0.578 nan 8.370 nan 0.000 0.523 66 H N -1.351 117.876 119.070 0.262 0.000 3.400 66 H HA 0.328 4.885 4.556 0.001 0.000 0.251 66 H C 0.040 175.495 175.328 0.212 0.000 1.040 66 H CA 0.030 56.223 56.048 0.242 0.000 1.175 66 H CB 1.199 31.076 29.762 0.191 0.000 1.487 66 H HN 0.150 nan 8.280 nan 0.000 0.505 67 E N 0.908 121.362 120.200 0.424 0.000 2.359 67 E HA 0.404 4.755 4.350 0.001 0.000 0.266 67 E C -1.408 175.442 176.600 0.418 0.000 0.920 67 E CA -1.052 55.527 56.400 0.298 0.000 0.788 67 E CB 3.175 32.976 29.700 0.169 0.000 1.279 67 E HN 0.100 nan 8.360 nan 0.000 0.438 68 Y N -1.329 119.053 120.300 0.136 0.000 2.588 68 Y HA 0.608 5.159 4.550 0.001 0.000 0.343 68 Y C -1.753 174.171 175.900 0.039 0.000 1.065 68 Y CA -1.328 56.742 58.100 -0.050 0.000 1.038 68 Y CB 0.830 38.904 38.460 -0.643 0.000 1.297 68 Y HN 0.346 nan 8.280 nan 0.000 0.467 69 L N 3.086 124.473 121.223 0.272 0.000 2.322 69 L HA 0.516 4.857 4.340 0.001 0.000 0.279 69 L C -1.368 175.727 176.870 0.375 0.000 1.036 69 L CA -1.006 53.966 54.840 0.220 0.000 0.807 69 L CB 1.647 43.734 42.059 0.047 0.000 1.226 69 L HN 0.795 nan 8.230 nan 0.000 0.433 70 Y N 2.635 123.067 120.300 0.219 0.000 2.396 70 Y HA 0.305 4.856 4.550 0.001 0.000 0.332 70 Y C -0.702 175.243 175.900 0.076 0.000 1.034 70 Y CA -1.201 56.950 58.100 0.084 0.000 1.057 70 Y CB 1.616 40.094 38.460 0.030 0.000 1.220 70 Y HN 0.448 nan 8.280 nan 0.000 0.440 71 K N 5.418 125.482 120.400 -0.561 0.000 2.262 71 K HA 0.316 4.637 4.320 0.001 0.000 0.282 71 K C -1.081 175.130 176.600 -0.650 0.000 1.066 71 K CA -0.321 55.707 56.287 -0.432 0.000 0.901 71 K CB 0.631 32.996 32.500 -0.225 0.000 1.089 71 K HN 0.842 nan 8.250 nan 0.000 0.476 72 Q N 3.777 123.384 119.800 -0.323 0.000 2.292 72 Q HA 0.114 4.455 4.340 0.001 0.000 0.270 72 Q C -1.171 174.786 176.000 -0.072 0.000 1.024 72 Q CA -0.216 55.483 55.803 -0.174 0.000 0.768 72 Q CB 1.200 29.980 28.738 0.069 0.000 1.250 72 Q HN 0.782 nan 8.270 nan 0.000 0.447 73 E N 2.978 123.140 120.200 -0.063 0.000 2.694 73 E HA -0.315 4.036 4.350 0.001 0.000 0.272 73 E C -0.448 176.121 176.600 -0.052 0.000 1.040 73 E CA 0.514 56.891 56.400 -0.038 0.000 0.809 73 E CB -0.999 28.693 29.700 -0.014 0.000 1.389 73 E HN 0.906 nan 8.360 nan 0.000 0.413 74 N N -1.015 117.641 118.700 -0.074 0.000 2.828 74 N HA -0.166 4.575 4.740 0.001 0.000 0.248 74 N C -0.780 174.677 175.510 -0.087 0.000 1.044 74 N CA 1.261 54.267 53.050 -0.074 0.000 0.851 74 N CB -0.851 37.608 38.487 -0.047 0.000 1.136 74 N HN 0.399 nan 8.380 nan 0.000 0.572 75 N N 0.728 119.376 118.700 -0.087 0.000 2.405 75 N HA 0.430 5.170 4.740 0.001 0.000 0.299 75 N C 0.087 175.543 175.510 -0.089 0.000 1.075 75 N CA -0.314 52.690 53.050 -0.077 0.000 0.884 75 N CB 1.465 39.923 38.487 -0.048 0.000 1.194 75 N HN 0.104 nan 8.380 nan 0.000 0.491 76 I N 2.849 123.374 120.570 -0.075 0.000 2.304 76 I HA 0.279 4.450 4.170 0.001 0.000 0.291 76 I C -0.048 176.105 176.117 0.062 0.000 1.018 76 I CA -0.385 60.884 61.300 -0.052 0.000 1.260 76 I CB 0.668 38.601 38.000 -0.113 0.000 1.390 76 I HN 0.199 nan 8.210 nan 0.000 0.475 77 L N 6.719 127.991 121.223 0.082 0.000 2.322 77 L HA 0.638 4.979 4.340 0.001 0.000 0.269 77 L C -0.383 176.519 176.870 0.053 0.000 1.012 77 L CA -1.045 53.819 54.840 0.040 0.000 0.815 77 L CB 2.191 44.224 42.059 -0.044 0.000 1.295 77 L HN 0.283 nan 8.230 nan 0.000 0.438 78 V N 1.678 121.551 119.914 -0.069 0.000 2.459 78 V HA 0.521 4.642 4.120 0.001 0.000 0.295 78 V C -1.042 174.876 176.094 -0.294 0.000 1.029 78 V CA -0.221 62.043 62.300 -0.061 0.000 0.874 78 V CB 1.413 33.275 31.823 0.064 0.000 0.985 78 V HN 0.463 nan 8.190 nan 0.000 0.438 79 F N 5.325 125.036 119.950 -0.400 0.000 2.480 79 F HA 0.498 5.026 4.527 0.001 0.000 0.329 79 F C 0.477 176.018 175.800 -0.431 0.000 1.091 79 F CA -0.503 57.173 58.000 -0.539 0.000 0.972 79 F CB 1.695 40.003 39.000 -1.153 0.000 1.150 79 F HN 0.517 nan 8.300 nan 0.000 0.467 80 N N 2.036 120.696 118.700 -0.068 0.000 2.419 80 N HA 0.258 4.999 4.740 0.001 0.000 0.264 80 N C 0.400 175.881 175.510 -0.048 0.000 1.031 80 N CA 0.102 53.145 53.050 -0.013 0.000 0.951 80 N CB 1.818 40.343 38.487 0.064 0.000 1.101 80 N HN 0.813 nan 8.380 nan 0.000 0.488 81 A N 3.767 126.504 122.820 -0.139 0.000 1.902 81 A HA -0.166 4.155 4.320 0.001 0.000 0.217 81 A C 1.860 179.233 177.584 -0.351 0.000 1.181 81 A CA 1.394 53.256 52.037 -0.292 0.000 0.623 81 A CB -0.480 18.080 19.000 -0.734 0.000 0.818 81 A HN 0.779 nan 8.150 nan 0.000 0.443 82 E N -0.875 119.104 120.200 -0.367 0.000 2.085 82 E HA -0.180 4.171 4.350 0.001 0.000 0.194 82 E C 1.315 177.626 176.600 -0.483 0.000 0.994 82 E CA 1.873 58.071 56.400 -0.336 0.000 0.801 82 E CB -0.362 29.096 29.700 -0.402 0.000 0.743 82 E HN 0.777 nan 8.360 nan 0.000 0.453 83 Y N -2.661 117.655 120.300 0.027 0.000 2.444 83 Y HA 0.322 4.873 4.550 0.001 0.000 0.252 83 Y C 1.582 177.497 175.900 0.025 0.000 1.091 83 Y CA 0.074 58.189 58.100 0.026 0.000 1.276 83 Y CB 1.216 39.689 38.460 0.021 0.000 1.170 83 Y HN 0.178 nan 8.280 nan 0.000 0.517 84 G N 1.064 109.952 108.800 0.148 0.000 2.176 84 G HA2 -0.299 3.661 3.960 0.001 0.000 0.253 84 G HA3 -0.299 3.661 3.960 0.001 0.000 0.253 84 G C -0.102 174.912 174.900 0.191 0.000 0.979 84 G CA 0.122 45.324 45.100 0.170 0.000 0.641 84 G HN 0.426 nan 8.290 nan 0.000 0.530 85 N N 0.715 119.486 118.700 0.118 0.000 2.525 85 N HA 0.532 5.273 4.740 0.001 0.000 0.271 85 N C 0.120 175.548 175.510 -0.137 0.000 1.194 85 N CA 0.695 53.751 53.050 0.010 0.000 0.964 85 N CB 1.578 40.069 38.487 0.007 0.000 1.126 85 N HN 0.894 nan 8.380 nan 0.000 0.452 86 S N 0.013 115.545 115.700 -0.280 0.000 2.704 86 S HA 0.770 5.241 4.470 0.001 0.000 0.296 86 S C -0.862 173.554 174.600 -0.307 0.000 1.138 86 S CA -0.794 57.092 58.200 -0.522 0.000 0.875 86 S CB 1.619 64.112 63.200 -1.179 0.000 1.151 86 S HN 0.626 nan 8.310 nan 0.000 0.500 87 S N -0.014 115.515 115.700 -0.285 0.000 2.556 87 S HA 0.527 4.998 4.470 0.001 0.000 0.271 87 S C -1.071 173.457 174.600 -0.119 0.000 1.135 87 S CA -0.741 57.365 58.200 -0.156 0.000 0.858 87 S CB 1.643 64.783 63.200 -0.100 0.000 1.114 87 S HN 0.756 nan 8.310 nan 0.000 0.468 88 V N 3.387 123.251 119.914 -0.084 0.000 2.479 88 V HA 0.151 4.271 4.120 0.001 0.000 0.281 88 V C 0.575 176.662 176.094 -0.011 0.000 1.031 88 V CA 0.279 62.552 62.300 -0.045 0.000 1.038 88 V CB -0.026 31.761 31.823 -0.061 0.000 0.981 88 V HN 0.950 nan 8.190 nan 0.000 0.478 89 F N 5.700 125.597 119.950 -0.088 0.000 2.317 89 F HA 0.371 4.899 4.527 0.001 0.000 0.293 89 F C 0.404 176.166 175.800 -0.063 0.000 1.085 89 F CA 0.629 58.590 58.000 -0.065 0.000 1.390 89 F CB 0.570 39.544 39.000 -0.042 0.000 1.077 89 F HN 0.384 nan 8.300 nan 0.000 0.517 90 L N 1.207 122.480 121.223 0.084 0.000 2.639 90 L HA 0.319 4.660 4.340 0.001 0.000 0.264 90 L C -1.116 175.718 176.870 -0.059 0.000 0.948 90 L CA -0.581 54.250 54.840 -0.016 0.000 0.912 90 L CB 1.074 43.197 42.059 0.108 0.000 1.294 90 L HN -0.196 nan 8.230 nan 0.000 0.412 91 E N 3.086 123.216 120.200 -0.116 0.000 2.414 91 E HA 0.047 4.398 4.350 0.001 0.000 0.263 91 E C 0.814 177.340 176.600 -0.123 0.000 1.000 91 E CA 0.143 56.473 56.400 -0.117 0.000 0.914 91 E CB 0.793 30.413 29.700 -0.132 0.000 0.948 91 E HN 0.696 nan 8.360 nan 0.000 0.444 92 N N 1.428 120.077 118.700 -0.085 0.000 2.205 92 N HA -0.189 4.552 4.740 0.001 0.000 0.186 92 N C 1.128 176.602 175.510 -0.059 0.000 1.015 92 N CA 1.562 54.577 53.050 -0.058 0.000 0.862 92 N CB -0.337 38.121 38.487 -0.047 0.000 0.986 92 N HN 0.276 nan 8.380 nan 0.000 0.429 93 S N -0.929 114.716 115.700 -0.092 0.000 2.561 93 S HA 0.019 4.489 4.470 0.001 0.000 0.225 93 S C 1.565 176.054 174.600 -0.186 0.000 0.977 93 S CA 0.588 58.730 58.200 -0.098 0.000 0.926 93 S CB -0.705 62.445 63.200 -0.083 0.000 0.769 93 S HN 0.277 nan 8.310 nan 0.000 0.533 94 T N 1.686 116.041 114.554 -0.333 0.000 2.869 94 T HA -0.025 4.325 4.350 0.001 0.000 0.270 94 T C 0.214 174.373 174.700 -0.901 0.000 1.082 94 T CA 1.194 62.894 62.100 -0.667 0.000 1.123 94 T CB -0.457 67.811 68.868 -1.001 0.000 0.856 94 T HN 0.599 nan 8.240 nan 0.000 0.499 95 F N 0.575 120.419 119.950 -0.177 0.000 2.791 95 F HA 0.339 4.867 4.527 0.001 0.000 0.308 95 F C 1.221 177.010 175.800 -0.018 0.000 1.138 95 F CA -1.258 56.663 58.000 -0.131 0.000 1.294 95 F CB 0.063 38.907 39.000 -0.260 0.000 0.975 95 F HN -0.057 nan 8.300 nan 0.000 0.512 96 D N 1.093 121.528 120.400 0.058 0.000 2.126 96 D HA -0.206 4.434 4.640 0.001 0.000 0.190 96 D C 0.995 177.337 176.300 0.070 0.000 1.001 96 D CA 1.683 55.712 54.000 0.049 0.000 0.841 96 D CB 0.032 40.832 40.800 -0.001 0.000 0.949 96 D HN 0.341 nan 8.370 nan 0.000 0.446 97 E N -0.473 119.768 120.200 0.070 0.000 2.336 97 E HA 0.075 4.425 4.350 0.001 0.000 0.214 97 E C 0.725 177.371 176.600 0.077 0.000 1.144 97 E CA -0.356 56.070 56.400 0.044 0.000 1.294 97 E CB -0.389 29.320 29.700 0.015 0.000 1.263 97 E HN 0.165 nan 8.360 nan 0.000 0.439 98 F N 0.477 120.417 119.950 -0.015 0.000 2.234 98 F HA 0.046 4.574 4.527 0.001 0.000 0.299 98 F C 1.826 177.506 175.800 -0.199 0.000 1.087 98 F CA 1.748 59.723 58.000 -0.041 0.000 1.340 98 F CB 0.066 39.060 39.000 -0.011 0.000 1.031 98 F HN 0.236 nan 8.300 nan 0.000 0.500 99 G N -1.219 107.362 108.800 -0.364 0.000 2.490 99 G HA2 -0.234 3.726 3.960 0.001 0.000 0.214 99 G HA3 -0.234 3.726 3.960 0.001 0.000 0.214 99 G C 0.382 174.889 174.900 -0.655 0.000 1.151 99 G CA 0.195 44.923 45.100 -0.619 0.000 0.684 99 G HN 0.524 nan 8.290 nan 0.000 0.518 100 H N 0.534 119.346 119.070 -0.429 0.000 2.525 100 H HA 0.688 5.245 4.556 0.001 0.000 0.340 100 H C -0.280 175.094 175.328 0.076 0.000 1.168 100 H CA 0.199 56.130 56.048 -0.196 0.000 1.247 100 H CB 1.556 31.047 29.762 -0.452 0.000 1.568 100 H HN 0.211 nan 8.280 nan 0.000 0.536 101 S N 1.493 117.327 115.700 0.222 0.000 2.439 101 S HA 0.252 4.723 4.470 0.001 0.000 0.282 101 S C 0.294 175.002 174.600 0.181 0.000 1.170 101 S CA -0.773 57.524 58.200 0.162 0.000 1.054 101 S CB -0.602 62.660 63.200 0.102 0.000 0.956 101 S HN 0.343 nan 8.310 nan 0.000 0.490 102 I N 5.469 126.106 120.570 0.112 0.000 2.517 102 I HA 0.077 4.247 4.170 0.001 0.000 0.285 102 I C 1.489 177.620 176.117 0.024 0.000 1.106 102 I CA -0.217 61.106 61.300 0.039 0.000 1.402 102 I CB 0.477 38.400 38.000 -0.128 0.000 1.399 102 I HN 0.702 nan 8.210 nan 0.000 0.535 103 N N 3.872 122.583 118.700 0.019 0.000 2.207 103 N HA -0.069 4.672 4.740 0.001 0.000 0.182 103 N C 0.123 175.598 175.510 -0.059 0.000 1.020 103 N CA 1.153 54.168 53.050 -0.059 0.000 0.858 103 N CB 0.413 38.837 38.487 -0.105 0.000 0.991 103 N HN 0.695 nan 8.380 nan 0.000 0.427 104 D N -2.784 117.606 120.400 -0.016 0.000 2.665 104 D HA 0.189 4.830 4.640 0.001 0.000 0.287 104 D C -1.674 174.675 176.300 0.082 0.000 1.266 104 D CA -0.514 53.488 54.000 0.003 0.000 0.830 104 D CB 0.934 41.700 40.800 -0.057 0.000 1.356 104 D HN 0.090 nan 8.370 nan 0.000 0.437 105 Y N -1.374 118.939 120.300 0.021 0.000 2.581 105 Y HA 0.749 5.300 4.550 0.001 0.000 0.345 105 Y C -1.110 174.866 175.900 0.126 0.000 1.036 105 Y CA -0.998 57.132 58.100 0.049 0.000 1.042 105 Y CB 1.795 40.264 38.460 0.015 0.000 1.289 105 Y HN 0.132 nan 8.280 nan 0.000 0.471 106 S N 2.367 118.251 115.700 0.306 0.000 2.750 106 S HA 0.571 5.041 4.470 0.001 0.000 0.276 106 S C -1.655 173.299 174.600 0.589 0.000 1.165 106 S CA -0.450 57.943 58.200 0.323 0.000 1.047 106 S CB 0.144 63.500 63.200 0.258 0.000 1.056 106 S HN 0.625 nan 8.310 nan 0.000 0.481 107 I N 4.696 125.522 120.570 0.426 0.000 2.416 107 I HA 0.247 4.418 4.170 0.001 0.000 0.288 107 I C 0.985 177.056 176.117 -0.076 0.000 1.051 107 I CA 0.183 61.639 61.300 0.260 0.000 1.375 107 I CB 1.502 39.581 38.000 0.131 0.000 1.407 107 I HN 0.732 nan 8.210 nan 0.000 0.516 108 S N 6.464 121.797 115.700 -0.610 0.000 2.566 108 S HA 0.112 4.583 4.470 0.001 0.000 0.280 108 S C -1.754 172.558 174.600 -0.480 0.000 1.343 108 S CA -0.829 56.537 58.200 -1.389 0.000 1.036 108 S CB 0.166 62.361 63.200 -1.676 0.000 0.866 108 S HN 0.467 nan 8.310 nan 0.000 0.526 109 P HA -0.131 nan 4.420 nan 0.000 0.218 109 P C 0.657 177.909 177.300 -0.080 0.000 1.146 109 P CA 1.544 64.571 63.100 -0.122 0.000 0.813 109 P CB -0.174 31.474 31.700 -0.088 0.000 0.778 110 D N -2.266 118.071 120.400 -0.105 0.000 2.328 110 D HA 0.112 4.753 4.640 0.001 0.000 0.226 110 D C 1.450 177.752 176.300 0.003 0.000 1.066 110 D CA 0.401 54.381 54.000 -0.033 0.000 0.861 110 D CB -1.072 39.716 40.800 -0.020 0.000 0.912 110 D HN 0.192 nan 8.370 nan 0.000 0.521 111 G N 0.412 109.218 108.800 0.010 0.000 2.189 111 G HA2 -0.444 3.517 3.960 0.001 0.000 0.267 111 G HA3 -0.444 3.517 3.960 0.001 0.000 0.267 111 G C 1.069 176.016 174.900 0.079 0.000 0.975 111 G CA 0.663 45.857 45.100 0.158 0.000 0.644 111 G HN 0.463 nan 8.290 nan 0.000 0.537 112 Q N -1.438 118.293 119.800 -0.115 0.000 2.172 112 Q HA 0.272 4.613 4.340 0.001 0.000 0.200 112 Q C 0.500 176.055 176.000 -0.741 0.000 0.964 112 Q CA 0.832 56.370 55.803 -0.443 0.000 0.855 112 Q CB 0.157 28.563 28.738 -0.553 0.000 0.918 112 Q HN 0.590 nan 8.270 nan 0.000 0.444 113 F N -0.968 118.969 119.950 -0.022 0.000 2.631 113 F HA 0.543 5.071 4.527 0.001 0.000 0.328 113 F C -0.501 175.447 175.800 0.246 0.000 1.067 113 F CA -1.268 56.795 58.000 0.105 0.000 0.969 113 F CB 1.583 40.655 39.000 0.119 0.000 1.332 113 F HN -0.224 nan 8.300 nan 0.000 0.490 114 I N 2.392 123.355 120.570 0.655 0.000 2.548 114 I HA 0.417 4.588 4.170 0.001 0.000 0.287 114 I C -1.954 174.500 176.117 0.561 0.000 1.103 114 I CA -0.924 60.729 61.300 0.588 0.000 1.049 114 I CB 1.393 39.679 38.000 0.476 0.000 1.232 114 I HN 0.501 nan 8.210 nan 0.000 0.429 115 L N 8.281 129.847 121.223 0.571 0.000 2.319 115 L HA 0.467 4.808 4.340 0.001 0.000 0.280 115 L C -1.149 175.859 176.870 0.231 0.000 1.099 115 L CA 0.128 55.159 54.840 0.318 0.000 0.828 115 L CB 0.901 43.026 42.059 0.110 0.000 1.150 115 L HN 0.510 nan 8.230 nan 0.000 0.442 116 L N 5.206 126.508 121.223 0.131 0.000 2.282 116 L HA 0.484 4.825 4.340 0.001 0.000 0.288 116 L C -0.055 176.857 176.870 0.069 0.000 1.033 116 L CA -0.411 54.416 54.840 -0.021 0.000 0.807 116 L CB 1.490 43.327 42.059 -0.371 0.000 1.209 116 L HN 0.618 nan 8.230 nan 0.000 0.423 117 E N 3.857 124.059 120.200 0.003 0.000 2.151 117 E HA 0.467 4.818 4.350 0.001 0.000 0.275 117 E C -1.658 174.933 176.600 -0.014 0.000 0.936 117 E CA -0.514 55.757 56.400 -0.214 0.000 0.777 117 E CB 1.230 30.854 29.700 -0.127 0.000 1.108 117 E HN 0.441 nan 8.360 nan 0.000 0.401 118 Y N 1.634 121.770 120.300 -0.274 0.000 2.705 118 Y HA 0.436 4.986 4.550 0.001 0.000 0.332 118 Y C -0.216 175.601 175.900 -0.138 0.000 1.221 118 Y CA -1.539 56.492 58.100 -0.115 0.000 1.059 118 Y CB 0.569 39.040 38.460 0.018 0.000 1.298 118 Y HN 0.530 nan 8.280 nan 0.000 0.459 119 N N -0.335 118.367 118.700 0.004 0.000 2.747 119 N HA -0.293 4.448 4.740 0.001 0.000 0.249 119 N C -0.935 174.540 175.510 -0.059 0.000 1.107 119 N CA 0.979 53.982 53.050 -0.077 0.000 0.707 119 N CB -1.595 36.730 38.487 -0.270 0.000 1.054 119 N HN 0.895 nan 8.380 nan 0.000 0.555 120 Y N 0.274 120.494 120.300 -0.134 0.000 2.721 120 Y HA 0.225 4.775 4.550 0.001 0.000 0.329 120 Y C 0.114 175.968 175.900 -0.076 0.000 1.211 120 Y CA 0.174 58.191 58.100 -0.137 0.000 1.512 120 Y CB 0.632 38.968 38.460 -0.207 0.000 1.249 120 Y HN -0.020 nan 8.280 nan 0.000 0.549 121 V N 8.113 127.721 119.914 -0.509 0.000 2.419 121 V HA 0.179 4.300 4.120 0.001 0.000 0.287 121 V C -0.262 175.483 176.094 -0.582 0.000 1.017 121 V CA -1.390 60.687 62.300 -0.372 0.000 0.844 121 V CB 1.224 32.937 31.823 -0.183 0.000 1.011 121 V HN 0.755 nan 8.190 nan 0.000 0.429 122 K N 3.588 123.667 120.400 -0.535 0.000 2.414 122 K HA 0.181 4.502 4.320 0.001 0.000 0.272 122 K C 0.383 176.846 176.600 -0.228 0.000 0.993 122 K CA 0.370 56.470 56.287 -0.313 0.000 0.964 122 K CB 1.113 33.652 32.500 0.065 0.000 0.925 122 K HN 0.810 nan 8.250 nan 0.000 0.487 123 Q N 2.651 122.299 119.800 -0.254 0.000 2.653 123 Q HA 0.188 4.529 4.340 0.001 0.000 0.212 123 Q C -0.042 175.775 176.000 -0.306 0.000 0.951 123 Q CA -0.470 55.007 55.803 -0.543 0.000 0.535 123 Q CB 0.159 28.383 28.738 -0.857 0.000 3.737 123 Q HN 0.727 nan 8.270 nan 0.000 0.401 124 W N 0.323 121.620 121.300 -0.005 0.000 1.763 124 W HA 0.294 4.955 4.660 0.001 0.000 0.619 124 W C 1.800 178.303 176.519 -0.028 0.000 1.755 124 W CA -0.514 56.850 57.345 0.031 0.000 1.933 124 W CB -0.134 29.297 29.460 -0.048 0.000 3.002 124 W HN 0.377 nan 8.180 nan 0.000 0.782 125 R N -0.552 120.048 120.500 0.166 0.000 2.081 125 R HA -0.160 4.181 4.340 0.001 0.000 0.235 125 R C 1.730 177.872 176.300 -0.263 0.000 1.131 125 R CA 2.065 58.081 56.100 -0.139 0.000 0.960 125 R CB -0.507 29.561 30.300 -0.386 0.000 0.856 125 R HN 0.470 nan 8.270 nan 0.000 0.436 126 H N -0.974 118.166 119.070 0.116 0.000 2.788 126 H HA 0.220 4.777 4.556 0.001 0.000 0.262 126 H C 0.452 175.843 175.328 0.105 0.000 0.968 126 H CA 0.518 56.648 56.048 0.137 0.000 1.218 126 H CB 0.162 29.979 29.762 0.091 0.000 1.443 126 H HN 0.232 nan 8.280 nan 0.000 0.478 127 S N 1.387 117.059 115.700 -0.047 0.000 2.585 127 S HA 0.342 4.812 4.470 0.001 0.000 0.273 127 S C -0.279 174.176 174.600 -0.243 0.000 1.339 127 S CA -0.407 57.465 58.200 -0.546 0.000 1.028 127 S CB 0.602 62.978 63.200 -1.374 0.000 0.906 127 S HN 0.463 nan 8.310 nan 0.000 0.528 128 Y N -2.501 117.631 120.300 -0.280 0.000 2.765 128 Y HA 0.604 5.155 4.550 0.001 0.000 0.350 128 Y C -0.834 175.023 175.900 -0.071 0.000 1.196 128 Y CA -0.831 57.103 58.100 -0.276 0.000 1.119 128 Y CB 0.388 38.594 38.460 -0.424 0.000 1.368 128 Y HN 0.930 nan 8.280 nan 0.000 0.463 129 T N 0.085 114.695 114.554 0.093 0.000 2.932 129 T HA 1.033 5.384 4.350 0.001 0.000 0.289 129 T C -0.448 174.337 174.700 0.141 0.000 1.039 129 T CA -0.084 62.094 62.100 0.131 0.000 1.024 129 T CB 1.778 70.668 68.868 0.038 0.000 1.090 129 T HN 1.986 nan 8.240 nan 0.000 0.496 130 A N 0.911 123.799 122.820 0.114 0.000 2.536 130 A HA 0.773 5.093 4.320 0.001 0.000 0.293 130 A C -0.710 176.683 177.584 -0.319 0.000 1.119 130 A CA -1.000 50.956 52.037 -0.134 0.000 0.654 130 A CB 0.966 19.864 19.000 -0.171 0.000 1.291 130 A HN 0.903 nan 8.150 nan 0.000 0.439 131 S N -0.670 114.579 115.700 -0.751 0.000 2.549 131 S HA 0.801 5.272 4.470 0.001 0.000 0.297 131 S C -1.533 172.426 174.600 -1.068 0.000 1.115 131 S CA -0.112 57.562 58.200 -0.876 0.000 1.059 131 S CB 0.772 63.124 63.200 -1.414 0.000 1.046 131 S HN 0.451 nan 8.310 nan 0.000 0.506 132 Y N 0.294 120.395 120.300 -0.331 0.000 2.512 132 Y HA 0.533 5.084 4.550 0.001 0.000 0.348 132 Y C -0.415 175.529 175.900 0.074 0.000 0.990 132 Y CA -0.911 57.131 58.100 -0.097 0.000 1.033 132 Y CB 1.913 40.248 38.460 -0.208 0.000 1.259 132 Y HN 0.558 nan 8.280 nan 0.000 0.461 133 D N 1.754 122.343 120.400 0.315 0.000 2.671 133 D HA 0.617 5.258 4.640 0.001 0.000 0.232 133 D C -1.256 175.159 176.300 0.192 0.000 1.114 133 D CA -0.354 53.806 54.000 0.266 0.000 0.858 133 D CB 2.038 43.072 40.800 0.390 0.000 1.544 133 D HN 0.331 nan 8.370 nan 0.000 0.471 134 I N 2.316 122.997 120.570 0.186 0.000 2.406 134 I HA 0.310 4.480 4.170 0.001 0.000 0.290 134 I C -1.195 175.139 176.117 0.361 0.000 0.999 134 I CA -1.005 60.440 61.300 0.241 0.000 1.124 134 I CB 1.243 39.317 38.000 0.123 0.000 1.289 134 I HN 0.328 nan 8.210 nan 0.000 0.441 135 Y N 5.630 126.116 120.300 0.310 0.000 2.341 135 Y HA 0.292 4.842 4.550 0.001 0.000 0.337 135 Y C -0.090 176.051 175.900 0.402 0.000 1.014 135 Y CA -0.570 57.732 58.100 0.336 0.000 1.111 135 Y CB 1.188 39.889 38.460 0.403 0.000 1.194 135 Y HN 0.498 nan 8.280 nan 0.000 0.462 136 D N 6.259 126.620 120.400 -0.065 0.000 2.325 136 D HA 0.081 4.722 4.640 0.001 0.000 0.251 136 D C 0.677 176.729 176.300 -0.413 0.000 1.196 136 D CA 0.342 54.282 54.000 -0.100 0.000 0.866 136 D CB 1.110 41.877 40.800 -0.055 0.000 1.101 136 D HN 0.880 nan 8.370 nan 0.000 0.476 137 L N 3.848 124.912 121.223 -0.266 0.000 2.131 137 L HA -0.128 4.213 4.340 0.001 0.000 0.206 137 L C 2.136 178.862 176.870 -0.240 0.000 1.087 137 L CA 0.403 55.146 54.840 -0.163 0.000 0.767 137 L CB -0.237 41.748 42.059 -0.125 0.000 0.917 137 L HN 0.399 nan 8.230 nan 0.000 0.441 138 N N 1.421 119.940 118.700 -0.302 0.000 2.039 138 N HA -0.199 4.542 4.740 0.001 0.000 0.193 138 N C 1.431 176.827 175.510 -0.190 0.000 1.044 138 N CA 1.568 54.478 53.050 -0.233 0.000 0.847 138 N CB -0.360 37.985 38.487 -0.236 0.000 1.030 138 N HN 0.469 nan 8.380 nan 0.000 0.422 139 K N 1.093 121.373 120.400 -0.201 0.000 2.476 139 K HA 0.190 4.511 4.320 0.001 0.000 0.196 139 K C -0.278 176.199 176.600 -0.204 0.000 1.025 139 K CA -0.235 55.954 56.287 -0.163 0.000 1.138 139 K CB 0.299 32.726 32.500 -0.122 0.000 0.860 139 K HN -0.160 nan 8.250 nan 0.000 0.515 140 R N 1.392 121.732 120.500 -0.267 0.000 3.266 140 R HA -0.218 4.122 4.340 0.001 0.000 0.245 140 R C -0.679 175.401 176.300 -0.367 0.000 0.941 140 R CA 1.063 57.005 56.100 -0.264 0.000 0.638 140 R CB -2.242 28.019 30.300 -0.066 0.000 1.019 140 R HN 0.808 nan 8.270 nan 0.000 0.462 141 Q N 0.064 119.467 119.800 -0.662 0.000 2.359 141 Q HA 0.445 4.786 4.340 0.001 0.000 0.274 141 Q C -1.197 174.564 176.000 -0.397 0.000 1.074 141 Q CA -0.991 54.592 55.803 -0.366 0.000 0.810 141 Q CB 1.665 30.316 28.738 -0.145 0.000 1.342 141 Q HN 0.130 nan 8.270 nan 0.000 0.427 142 L N 3.716 124.974 121.223 0.059 0.000 2.397 142 L HA 0.392 4.733 4.340 0.001 0.000 0.271 142 L C -0.534 176.427 176.870 0.151 0.000 1.148 142 L CA 0.192 55.206 54.840 0.290 0.000 0.825 142 L CB 0.839 43.170 42.059 0.453 0.000 1.117 142 L HN 0.652 nan 8.230 nan 0.000 0.456 143 I N 3.485 124.150 120.570 0.159 0.000 2.395 143 I HA 0.158 4.329 4.170 0.001 0.000 0.289 143 I C 0.738 176.907 176.117 0.086 0.000 1.023 143 I CA 0.067 61.423 61.300 0.094 0.000 1.350 143 I CB 1.077 39.117 38.000 0.067 0.000 1.409 143 I HN 0.786 nan 8.210 nan 0.000 0.507 144 T N 0.539 115.124 114.554 0.053 0.000 3.040 144 T HA 0.281 4.632 4.350 0.001 0.000 0.266 144 T C 0.412 175.116 174.700 0.006 0.000 1.005 144 T CA -0.339 61.784 62.100 0.039 0.000 0.906 144 T CB 0.043 68.935 68.868 0.040 0.000 1.082 144 T HN 0.479 nan 8.240 nan 0.000 0.531 145 E N 1.881 122.078 120.200 -0.006 0.000 2.214 145 E HA 0.339 4.689 4.350 0.001 0.000 0.274 145 E C -0.413 176.158 176.600 -0.049 0.000 0.977 145 E CA -0.865 55.520 56.400 -0.025 0.000 0.827 145 E CB 0.696 30.383 29.700 -0.021 0.000 1.130 145 E HN 0.083 nan 8.360 nan 0.000 0.394 146 E N 1.341 121.501 120.200 -0.066 0.000 2.199 146 E HA -0.253 4.097 4.350 0.001 0.000 0.208 146 E C -0.560 175.966 176.600 -0.123 0.000 1.310 146 E CA 0.806 57.150 56.400 -0.094 0.000 0.709 146 E CB -1.612 28.040 29.700 -0.081 0.000 1.127 146 E HN 0.506 nan 8.360 nan 0.000 0.354 147 R N -0.511 119.910 120.500 -0.132 0.000 2.531 147 R HA 0.525 4.866 4.340 0.001 0.000 0.273 147 R C 0.833 176.959 176.300 -0.290 0.000 1.070 147 R CA -0.788 55.215 56.100 -0.161 0.000 1.112 147 R CB 0.708 30.955 30.300 -0.088 0.000 1.049 147 R HN 0.010 nan 8.270 nan 0.000 0.508 148 I N 2.900 123.242 120.570 -0.380 0.000 2.826 148 I HA -0.045 4.126 4.170 0.001 0.000 0.295 148 I C -1.660 174.136 176.117 -0.534 0.000 1.213 148 I CA -1.184 59.717 61.300 -0.665 0.000 1.436 148 I CB 0.067 37.670 38.000 -0.662 0.000 1.348 148 I HN 0.442 nan 8.210 nan 0.000 0.570 149 P HA 0.012 nan 4.420 nan 0.000 0.271 149 P C -0.573 176.515 177.300 -0.354 0.000 1.238 149 P CA -0.176 62.520 63.100 -0.675 0.000 0.794 149 P CB 0.412 31.248 31.700 -1.439 0.000 0.959 150 N N 1.883 120.469 118.700 -0.189 0.000 2.493 150 N HA 0.102 4.843 4.740 0.001 0.000 0.275 150 N C 0.066 175.653 175.510 0.129 0.000 1.186 150 N CA -0.029 52.981 53.050 -0.066 0.000 0.978 150 N CB 0.073 38.523 38.487 -0.060 0.000 1.184 150 N HN 0.416 nan 8.380 nan 0.000 0.487 151 N N -0.342 118.403 118.700 0.075 0.000 2.780 151 N HA -0.145 4.596 4.740 0.001 0.000 0.248 151 N C -0.862 174.805 175.510 0.262 0.000 1.102 151 N CA 0.618 53.748 53.050 0.134 0.000 0.697 151 N CB -1.609 36.963 38.487 0.142 0.000 1.028 151 N HN 0.464 nan 8.380 nan 0.000 0.554 152 T N 0.881 115.587 114.554 0.254 0.000 2.851 152 T HA 0.125 4.475 4.350 0.001 0.000 0.298 152 T C 1.704 176.552 174.700 0.245 0.000 0.977 152 T CA 0.057 62.332 62.100 0.293 0.000 1.126 152 T CB 1.276 70.228 68.868 0.140 0.000 0.916 152 T HN 0.166 nan 8.240 nan 0.000 0.529 153 Q N 1.885 121.815 119.800 0.216 0.000 2.269 153 Q HA 0.142 4.482 4.340 0.001 0.000 0.201 153 Q C 0.142 176.267 176.000 0.209 0.000 0.946 153 Q CA 0.472 56.400 55.803 0.208 0.000 0.877 153 Q CB 0.689 29.497 28.738 0.116 0.000 0.963 153 Q HN 0.700 nan 8.270 nan 0.000 0.472 154 W N -0.584 120.655 121.300 -0.103 0.000 3.464 154 W HA 0.472 5.133 4.660 0.001 0.000 0.292 154 W C -2.370 174.042 176.519 -0.178 0.000 1.262 154 W CA -0.697 56.539 57.345 -0.181 0.000 1.202 154 W CB 1.053 30.347 29.460 -0.277 0.000 1.334 154 W HN -0.293 nan 8.180 nan 0.000 0.561 155 V N 4.210 123.319 119.914 -1.341 0.000 3.048 155 V HA 0.817 4.938 4.120 0.001 0.000 0.303 155 V C -1.586 173.813 176.094 -1.159 0.000 1.214 155 V CA -0.039 61.661 62.300 -1.000 0.000 0.984 155 V CB 2.293 33.498 31.823 -1.030 0.000 1.054 155 V HN 0.664 nan 8.190 nan 0.000 0.430 156 T N 4.937 119.159 114.554 -0.553 0.000 3.012 156 T HA 0.487 4.837 4.350 0.001 0.000 0.330 156 T C -1.322 173.415 174.700 0.061 0.000 1.321 156 T CA -0.307 61.662 62.100 -0.218 0.000 1.067 156 T CB 0.864 69.827 68.868 0.158 0.000 1.235 156 T HN 0.726 nan 8.240 nan 0.000 0.479 157 W N 2.832 124.178 121.300 0.077 0.000 2.093 157 W HA 0.460 5.120 4.660 0.001 0.000 0.352 157 W C 1.214 177.638 176.519 -0.158 0.000 1.294 157 W CA -0.618 56.738 57.345 0.019 0.000 1.290 157 W CB 0.613 30.078 29.460 0.008 0.000 1.149 157 W HN 0.794 nan 8.180 nan 0.000 0.606 158 S N 1.608 117.130 115.700 -0.296 0.000 2.603 158 S HA 0.152 4.623 4.470 0.001 0.000 0.268 158 S C -1.455 172.864 174.600 -0.469 0.000 1.317 158 S CA -1.098 56.326 58.200 -1.294 0.000 1.012 158 S CB 1.066 63.405 63.200 -1.435 0.000 0.926 158 S HN 0.383 nan 8.310 nan 0.000 0.539 159 P HA 0.013 nan 4.420 nan 0.000 0.222 159 P C 0.037 177.278 177.300 -0.099 0.000 1.147 159 P CA 0.732 63.779 63.100 -0.088 0.000 0.790 159 P CB 0.060 31.758 31.700 -0.004 0.000 0.780 160 V N -1.435 118.366 119.914 -0.189 0.000 2.876 160 V HA 0.619 4.740 4.120 0.001 0.000 0.312 160 V C 0.823 176.782 176.094 -0.225 0.000 1.085 160 V CA 0.198 62.404 62.300 -0.157 0.000 0.945 160 V CB 1.145 32.890 31.823 -0.130 0.000 1.017 160 V HN 0.461 nan 8.190 nan 0.000 0.428 161 G N 3.026 111.700 108.800 -0.210 0.000 2.531 161 G HA2 -0.216 3.745 3.960 0.001 0.000 0.274 161 G HA3 -0.216 3.745 3.960 0.001 0.000 0.274 161 G C 0.130 174.845 174.900 -0.309 0.000 1.159 161 G CA 0.609 45.514 45.100 -0.324 0.000 0.969 161 G HN 1.832 nan 8.290 nan 0.000 0.554 162 H N -0.602 118.432 119.070 -0.061 0.000 3.233 162 H HA 0.440 4.997 4.556 0.001 0.000 0.232 162 H C 0.234 175.712 175.328 0.250 0.000 1.322 162 H CA -0.225 55.818 56.048 -0.010 0.000 1.043 162 H CB -0.191 29.587 29.762 0.027 0.000 2.572 162 H HN 0.515 nan 8.280 nan 0.000 0.597 163 K N 1.479 121.984 120.400 0.175 0.000 2.138 163 K HA 0.545 4.865 4.320 0.001 0.000 0.251 163 K C -0.360 176.439 176.600 0.331 0.000 1.015 163 K CA -0.510 55.893 56.287 0.194 0.000 0.917 163 K CB 1.667 34.126 32.500 -0.068 0.000 1.021 163 K HN 0.124 nan 8.250 nan 0.000 0.485 164 L N 0.486 121.907 121.223 0.330 0.000 2.388 164 L HA 0.609 4.949 4.340 0.001 0.000 0.264 164 L C -1.150 175.942 176.870 0.371 0.000 0.998 164 L CA -0.924 54.062 54.840 0.245 0.000 0.817 164 L CB 2.214 44.272 42.059 -0.001 0.000 1.338 164 L HN 0.718 nan 8.230 nan 0.000 0.414 165 A N 2.370 125.362 122.820 0.288 0.000 2.375 165 A HA 0.767 5.088 4.320 0.001 0.000 0.295 165 A C -1.618 175.974 177.584 0.014 0.000 1.066 165 A CA -0.375 51.712 52.037 0.083 0.000 0.722 165 A CB 1.059 20.016 19.000 -0.072 0.000 1.206 165 A HN 0.630 nan 8.150 nan 0.000 0.435 166 Y N -0.218 120.024 120.300 -0.096 0.000 2.609 166 Y HA 0.827 5.378 4.550 0.001 0.000 0.342 166 Y C -1.039 174.865 175.900 0.006 0.000 1.058 166 Y CA -1.659 56.358 58.100 -0.138 0.000 1.055 166 Y CB 1.260 39.574 38.460 -0.243 0.000 1.292 166 Y HN 0.375 nan 8.280 nan 0.000 0.476 167 V N 1.849 121.878 119.914 0.191 0.000 2.555 167 V HA 0.413 4.534 4.120 0.001 0.000 0.302 167 V C -1.458 174.840 176.094 0.341 0.000 1.038 167 V CA -0.665 61.728 62.300 0.156 0.000 0.887 167 V CB 1.512 33.345 31.823 0.016 0.000 0.991 167 V HN 0.892 nan 8.190 nan 0.000 0.434 168 W N 4.212 125.596 121.300 0.140 0.000 3.274 168 W HA 0.454 5.115 4.660 0.001 0.000 0.327 168 W C 0.264 176.826 176.519 0.072 0.000 1.172 168 W CA -0.839 56.562 57.345 0.093 0.000 1.217 168 W CB 1.305 30.790 29.460 0.043 0.000 1.376 168 W HN 0.776 nan 8.180 nan 0.000 0.507 169 N N 5.150 123.504 118.700 -0.577 0.000 2.716 169 N HA -0.363 4.378 4.740 0.001 0.000 0.250 169 N C 0.122 175.471 175.510 -0.268 0.000 1.033 169 N CA 1.101 53.817 53.050 -0.557 0.000 0.727 169 N CB -1.053 36.910 38.487 -0.874 0.000 0.950 169 N HN 0.789 nan 8.380 nan 0.000 0.541 170 N N -1.976 116.620 118.700 -0.173 0.000 2.800 170 N HA -0.177 4.564 4.740 0.001 0.000 0.250 170 N C -1.275 174.156 175.510 -0.132 0.000 1.078 170 N CA 1.030 53.993 53.050 -0.144 0.000 0.804 170 N CB -0.343 38.016 38.487 -0.213 0.000 1.135 170 N HN 0.454 nan 8.380 nan 0.000 0.565 171 D N 0.438 120.774 120.400 -0.107 0.000 2.433 171 D HA 0.495 5.136 4.640 0.001 0.000 0.236 171 D C 0.125 176.253 176.300 -0.286 0.000 1.026 171 D CA -0.377 53.482 54.000 -0.236 0.000 0.884 171 D CB 1.674 42.293 40.800 -0.302 0.000 1.384 171 D HN 0.016 nan 8.370 nan 0.000 0.477 172 I N 1.727 121.964 120.570 -0.555 0.000 2.353 172 I HA 0.241 4.412 4.170 0.001 0.000 0.293 172 I C -0.700 174.921 176.117 -0.827 0.000 0.992 172 I CA -0.490 60.462 61.300 -0.580 0.000 1.268 172 I CB 0.578 38.160 38.000 -0.697 0.000 1.387 172 I HN 0.152 nan 8.210 nan 0.000 0.478 173 Y N 4.341 124.251 120.300 -0.650 0.000 2.536 173 Y HA 0.679 5.230 4.550 0.001 0.000 0.347 173 Y C -0.249 175.301 175.900 -0.583 0.000 1.000 173 Y CA -0.960 56.707 58.100 -0.722 0.000 1.051 173 Y CB 2.054 39.787 38.460 -1.212 0.000 1.259 173 Y HN 0.119 nan 8.280 nan 0.000 0.468 174 V N 2.284 122.129 119.914 -0.115 0.000 2.709 174 V HA 0.473 4.594 4.120 0.001 0.000 0.308 174 V C -1.018 175.220 176.094 0.239 0.000 1.062 174 V CA -1.441 60.899 62.300 0.067 0.000 0.901 174 V CB 2.137 34.013 31.823 0.089 0.000 1.003 174 V HN 0.621 nan 8.190 nan 0.000 0.425 175 K N 4.250 124.805 120.400 0.259 0.000 2.450 175 K HA 0.507 4.828 4.320 0.001 0.000 0.257 175 K C 0.333 177.089 176.600 0.260 0.000 0.953 175 K CA -0.730 55.705 56.287 0.246 0.000 0.844 175 K CB 1.840 34.442 32.500 0.171 0.000 1.103 175 K HN 0.417 nan 8.250 nan 0.000 0.429 176 I N 1.272 122.014 120.570 0.287 0.000 2.439 176 I HA -0.071 4.099 4.170 0.001 0.000 0.251 176 I C 0.292 176.551 176.117 0.236 0.000 1.139 176 I CA 1.433 62.880 61.300 0.245 0.000 1.438 176 I CB -0.385 37.758 38.000 0.239 0.000 1.085 176 I HN 0.575 nan 8.210 nan 0.000 0.427 177 E N -0.509 119.790 120.200 0.166 0.000 2.314 177 E HA 0.282 4.632 4.350 0.001 0.000 0.272 177 E C -1.956 174.615 176.600 -0.048 0.000 0.884 177 E CA -1.918 54.523 56.400 0.067 0.000 0.753 177 E CB 1.822 31.555 29.700 0.055 0.000 1.213 177 E HN -0.197 nan 8.360 nan 0.000 0.432 178 P HA -0.200 nan 4.420 nan 0.000 0.217 178 P C 0.612 177.817 177.300 -0.158 0.000 1.151 178 P CA 1.629 64.559 63.100 -0.282 0.000 0.849 178 P CB 0.223 31.500 31.700 -0.704 0.000 0.787 179 N N -1.997 116.632 118.700 -0.119 0.000 2.268 179 N HA 0.062 4.803 4.740 0.001 0.000 0.204 179 N C -0.009 175.477 175.510 -0.040 0.000 1.124 179 N CA 0.108 53.122 53.050 -0.059 0.000 0.838 179 N CB -0.538 37.931 38.487 -0.030 0.000 0.994 179 N HN 0.099 nan 8.380 nan 0.000 0.489 180 L N 0.403 121.607 121.223 -0.033 0.000 2.334 180 L HA 0.587 4.927 4.340 0.001 0.000 0.270 180 L C -2.137 174.698 176.870 -0.060 0.000 1.018 180 L CA -2.635 52.187 54.840 -0.030 0.000 0.811 180 L CB 1.603 43.666 42.059 0.006 0.000 1.271 180 L HN -0.059 nan 8.230 nan 0.000 0.443 181 P HA 0.026 nan 4.420 nan 0.000 0.268 181 P C -0.687 176.485 177.300 -0.214 0.000 1.205 181 P CA -0.212 62.803 63.100 -0.143 0.000 0.771 181 P CB 0.846 32.452 31.700 -0.156 0.000 0.858 182 S N 2.584 118.211 115.700 -0.121 0.000 2.617 182 S HA 0.380 4.850 4.470 0.001 0.000 0.269 182 S C -0.477 174.033 174.600 -0.151 0.000 1.292 182 S CA -0.478 57.690 58.200 -0.052 0.000 1.010 182 S CB 0.112 63.391 63.200 0.132 0.000 0.944 182 S HN 0.337 nan 8.310 nan 0.000 0.536 183 Y N 0.083 120.409 120.300 0.042 0.000 2.320 183 Y HA 0.430 4.980 4.550 0.001 0.000 0.334 183 Y C 1.086 176.910 175.900 -0.128 0.000 1.055 183 Y CA -0.872 57.228 58.100 0.001 0.000 1.143 183 Y CB 0.897 39.357 38.460 0.000 0.000 1.193 183 Y HN 0.474 nan 8.280 nan 0.000 0.477 184 R N 3.701 124.155 120.500 -0.077 0.000 2.316 184 R HA 0.160 4.501 4.340 0.001 0.000 0.314 184 R C 0.277 176.324 176.300 -0.422 0.000 1.069 184 R CA 0.138 55.885 56.100 -0.588 0.000 0.959 184 R CB 0.566 30.327 30.300 -0.899 0.000 0.987 184 R HN 0.787 nan 8.270 nan 0.000 0.446 185 I N 1.397 121.618 120.570 -0.583 0.000 2.628 185 I HA -0.048 4.123 4.170 0.001 0.000 0.255 185 I C 1.304 177.201 176.117 -0.365 0.000 1.119 185 I CA 1.102 62.178 61.300 -0.374 0.000 1.448 185 I CB -0.545 37.189 38.000 -0.442 0.000 1.133 185 I HN 0.496 nan 8.210 nan 0.000 0.438 186 T N -3.747 110.455 114.554 -0.587 0.000 2.908 186 T HA 0.401 4.752 4.350 0.001 0.000 0.290 186 T C -0.497 173.888 174.700 -0.525 0.000 1.034 186 T CA -0.513 61.350 62.100 -0.396 0.000 1.010 186 T CB 2.046 70.670 68.868 -0.407 0.000 1.068 186 T HN 0.182 nan 8.240 nan 0.000 0.481 187 W N -0.111 121.074 121.300 -0.191 0.000 2.534 187 W HA 0.211 4.872 4.660 0.001 0.000 0.339 187 W C 2.101 178.565 176.519 -0.092 0.000 0.961 187 W CA 0.018 57.288 57.345 -0.124 0.000 1.545 187 W CB 0.041 29.449 29.460 -0.086 0.000 1.104 187 W HN 0.904 nan 8.180 nan 0.000 0.538 188 T N -2.250 112.354 114.554 0.083 0.000 3.113 188 T HA 0.194 4.545 4.350 0.001 0.000 0.256 188 T C 1.359 176.058 174.700 -0.002 0.000 1.131 188 T CA 0.371 62.499 62.100 0.047 0.000 1.074 188 T CB -0.417 68.475 68.868 0.040 0.000 0.944 188 T HN 0.034 nan 8.240 nan 0.000 0.516 189 G N 1.472 110.240 108.800 -0.054 0.000 2.150 189 G HA2 0.244 4.205 3.960 0.001 0.000 0.250 189 G HA3 0.244 4.205 3.960 0.001 0.000 0.250 189 G C -0.503 174.338 174.900 -0.099 0.000 1.179 189 G CA -0.283 44.759 45.100 -0.096 0.000 0.934 189 G HN 0.599 nan 8.290 nan 0.000 0.453 190 K N 2.338 122.662 120.400 -0.126 0.000 2.615 190 K HA 0.182 4.503 4.320 0.001 0.000 0.249 190 K C 0.000 176.486 176.600 -0.191 0.000 0.977 190 K CA -0.687 55.527 56.287 -0.121 0.000 0.833 190 K CB 1.350 33.815 32.500 -0.057 0.000 1.208 190 K HN 0.632 nan 8.250 nan 0.000 0.443 191 E N 3.491 123.578 120.200 -0.189 0.000 2.765 191 E HA -0.168 4.183 4.350 0.001 0.000 0.256 191 E C -0.610 175.899 176.600 -0.152 0.000 0.935 191 E CA 1.011 57.290 56.400 -0.201 0.000 0.954 191 E CB 0.249 29.867 29.700 -0.136 0.000 0.908 191 E HN 0.669 nan 8.360 nan 0.000 0.500 192 D N 2.596 122.883 120.400 -0.189 0.000 3.059 192 D HA -0.230 4.411 4.640 0.001 0.000 0.213 192 D C 0.432 176.791 176.300 0.099 0.000 1.144 192 D CA 1.312 55.338 54.000 0.044 0.000 0.975 192 D CB -0.528 40.331 40.800 0.098 0.000 1.125 192 D HN 0.434 nan 8.370 nan 0.000 0.412 193 I N -1.150 119.395 120.570 -0.042 0.000 3.669 193 I HA 0.097 4.268 4.170 0.001 0.000 0.255 193 I C 0.650 176.854 176.117 0.144 0.000 1.144 193 I CA 0.356 61.710 61.300 0.091 0.000 1.447 193 I CB 0.172 38.197 38.000 0.042 0.000 1.622 193 I HN -0.142 nan 8.210 nan 0.000 0.435 194 I N 2.025 122.594 120.570 -0.001 0.000 2.355 194 I HA 0.248 4.418 4.170 0.001 0.000 0.288 194 I C -1.212 174.909 176.117 0.007 0.000 0.999 194 I CA -0.539 60.818 61.300 0.095 0.000 1.163 194 I CB 0.706 38.739 38.000 0.055 0.000 1.316 194 I HN 0.051 nan 8.210 nan 0.000 0.454 195 Y N 4.850 125.247 120.300 0.161 0.000 2.356 195 Y HA 0.375 4.925 4.550 0.001 0.000 0.334 195 Y C 0.461 176.430 175.900 0.116 0.000 0.958 195 Y CA -0.740 57.458 58.100 0.163 0.000 1.196 195 Y CB 0.780 39.419 38.460 0.299 0.000 1.137 195 Y HN 0.411 nan 8.280 nan 0.000 0.485 196 N N 2.208 120.974 118.700 0.110 0.000 2.425 196 N HA 0.327 5.068 4.740 0.001 0.000 0.268 196 N C 0.934 176.389 175.510 -0.091 0.000 0.991 196 N CA 0.505 53.555 53.050 -0.001 0.000 0.931 196 N CB 1.835 40.222 38.487 -0.168 0.000 1.130 196 N HN 0.957 nan 8.380 nan 0.000 0.493 197 G N 1.550 110.316 108.800 -0.057 0.000 2.184 197 G HA2 -0.260 3.701 3.960 0.001 0.000 0.264 197 G HA3 -0.260 3.701 3.960 0.001 0.000 0.264 197 G C 0.142 174.897 174.900 -0.241 0.000 0.975 197 G CA 0.840 45.830 45.100 -0.182 0.000 0.642 197 G HN 0.676 nan 8.290 nan 0.000 0.536 198 I N -2.028 118.475 120.570 -0.112 0.000 2.865 198 I HA 0.797 4.968 4.170 0.001 0.000 0.302 198 I C 0.274 176.439 176.117 0.082 0.000 1.140 198 I CA -0.656 60.492 61.300 -0.254 0.000 1.021 198 I CB 1.992 39.640 38.000 -0.586 0.000 1.233 198 I HN 0.157 nan 8.210 nan 0.000 0.427 199 T N -0.224 114.316 114.554 -0.023 0.000 2.899 199 T HA 0.354 4.705 4.350 0.001 0.000 0.284 199 T C -0.162 174.367 174.700 -0.285 0.000 1.004 199 T CA -0.644 61.304 62.100 -0.253 0.000 1.043 199 T CB 1.251 70.044 68.868 -0.124 0.000 1.013 199 T HN 0.768 nan 8.240 nan 0.000 0.518 200 D N 0.182 120.133 120.400 -0.748 0.000 2.478 200 D HA 0.028 4.668 4.640 0.001 0.000 0.269 200 D C 0.952 177.190 176.300 -0.104 0.000 1.232 200 D CA -1.084 52.471 54.000 -0.742 0.000 1.059 200 D CB 0.234 40.517 40.800 -0.861 0.000 1.104 200 D HN 0.702 nan 8.370 nan 0.000 0.566 201 W N 0.241 121.513 121.300 -0.047 0.000 2.317 201 W HA -0.233 4.427 4.660 0.001 0.000 0.318 201 W C 2.188 178.629 176.519 -0.130 0.000 1.227 201 W CA 2.425 59.749 57.345 -0.034 0.000 1.269 201 W CB -0.485 28.903 29.460 -0.119 0.000 1.155 201 W HN 0.190 nan 8.180 nan 0.000 0.484 202 V N -0.163 119.867 119.914 0.193 0.000 2.358 202 V HA -0.298 3.823 4.120 0.001 0.000 0.246 202 V C 1.923 177.869 176.094 -0.247 0.000 1.047 202 V CA 2.075 64.361 62.300 -0.023 0.000 1.035 202 V CB -0.789 31.013 31.823 -0.034 0.000 0.658 202 V HN 0.309 nan 8.190 nan 0.000 0.452 203 Y N 0.651 120.788 120.300 -0.270 0.000 2.242 203 Y HA -0.199 4.352 4.550 0.001 0.000 0.291 203 Y C 2.593 178.393 175.900 -0.167 0.000 1.137 203 Y CA 2.181 60.122 58.100 -0.264 0.000 1.181 203 Y CB -0.054 38.120 38.460 -0.476 0.000 0.989 203 Y HN 0.404 nan 8.280 nan 0.000 0.527 204 E N 0.329 120.496 120.200 -0.054 0.000 2.031 204 E HA -0.291 4.059 4.350 0.001 0.000 0.193 204 E C 2.051 178.609 176.600 -0.069 0.000 0.994 204 E CA 1.548 57.940 56.400 -0.013 0.000 0.800 204 E CB -0.034 29.653 29.700 -0.021 0.000 0.752 204 E HN 0.415 nan 8.360 nan 0.000 0.447 205 E N 0.306 120.281 120.200 -0.374 0.000 2.046 205 E HA -0.164 4.186 4.350 0.001 0.000 0.190 205 E C 1.711 178.192 176.600 -0.197 0.000 0.982 205 E CA 1.609 57.767 56.400 -0.403 0.000 0.800 205 E CB 0.115 29.203 29.700 -1.020 0.000 0.756 205 E HN 0.238 nan 8.360 nan 0.000 0.449 206 E N -0.723 119.341 120.200 -0.227 0.000 2.431 206 E HA 0.086 4.437 4.350 0.001 0.000 0.200 206 E C 1.738 178.219 176.600 -0.199 0.000 0.995 206 E CA 0.378 56.691 56.400 -0.145 0.000 0.915 206 E CB 0.866 30.472 29.700 -0.157 0.000 0.930 206 E HN 0.209 nan 8.360 nan 0.000 0.496 207 V N -0.362 119.385 119.914 -0.279 0.000 2.939 207 V HA 0.038 4.158 4.120 0.001 0.000 0.228 207 V C 1.517 177.390 176.094 -0.368 0.000 1.162 207 V CA 0.614 62.665 62.300 -0.414 0.000 1.222 207 V CB -0.358 31.074 31.823 -0.652 0.000 1.053 207 V HN 0.008 nan 8.190 nan 0.000 0.504 208 F N 0.792 120.769 119.950 0.045 0.000 2.664 208 F HA 0.241 4.768 4.527 0.001 0.000 0.296 208 F C 1.618 177.383 175.800 -0.059 0.000 1.125 208 F CA 0.413 58.447 58.000 0.055 0.000 1.444 208 F CB -0.450 38.627 39.000 0.128 0.000 1.114 208 F HN 0.094 nan 8.300 nan 0.000 0.576 209 S N 0.318 116.028 115.700 0.018 0.000 3.614 209 S HA 0.016 4.487 4.470 0.001 0.000 0.360 209 S C 0.037 174.228 174.600 -0.681 0.000 1.023 209 S CA 0.390 58.450 58.200 -0.234 0.000 1.114 209 S CB -1.638 61.482 63.200 -0.134 0.000 0.907 209 S HN 0.680 nan 8.310 nan 0.000 0.470 210 A N -0.513 122.133 122.820 -0.291 0.000 2.597 210 A HA 0.682 5.003 4.320 0.001 0.000 0.292 210 A C -0.381 177.175 177.584 -0.047 0.000 1.057 210 A CA -0.461 51.430 52.037 -0.244 0.000 0.674 210 A CB 0.296 19.160 19.000 -0.226 0.000 1.278 210 A HN 0.379 nan 8.150 nan 0.000 0.416 211 Y N 1.384 121.516 120.300 -0.281 0.000 2.476 211 Y HA 0.225 4.775 4.550 0.001 0.000 0.283 211 Y C 1.556 177.161 175.900 -0.492 0.000 1.109 211 Y CA 0.848 58.793 58.100 -0.258 0.000 1.246 211 Y CB 0.013 38.362 38.460 -0.184 0.000 1.068 211 Y HN 0.768 nan 8.280 nan 0.000 0.552 212 S N 0.819 115.989 115.700 -0.883 0.000 2.562 212 S HA 0.426 4.896 4.470 0.001 0.000 0.281 212 S C 0.314 174.357 174.600 -0.928 0.000 1.333 212 S CA 0.172 57.569 58.200 -1.338 0.000 1.052 212 S CB 0.643 62.686 63.200 -1.929 0.000 0.884 212 S HN 0.453 nan 8.310 nan 0.000 0.506 213 A N 5.282 127.555 122.820 -0.912 0.000 2.843 213 A HA 0.509 4.830 4.320 0.001 0.000 0.248 213 A C -0.497 176.373 177.584 -1.190 0.000 0.904 213 A CA -0.529 50.905 52.037 -1.005 0.000 1.091 213 A CB -0.027 18.825 19.000 -0.247 0.000 1.208 213 A HN 0.736 nan 8.150 nan 0.000 0.476 214 L N 0.174 120.592 121.223 -1.342 0.000 2.362 214 L HA 0.638 4.978 4.340 0.001 0.000 0.271 214 L C -1.106 175.240 176.870 -0.873 0.000 1.002 214 L CA -0.620 53.746 54.840 -0.789 0.000 0.818 214 L CB 1.997 43.814 42.059 -0.404 0.000 1.298 214 L HN 0.443 nan 8.230 nan 0.000 0.420 215 W N 2.134 123.469 121.300 0.059 0.000 2.664 215 W HA 0.210 4.871 4.660 0.001 0.000 0.314 215 W C -1.126 175.626 176.519 0.388 0.000 1.010 215 W CA -1.071 56.434 57.345 0.268 0.000 1.306 215 W CB 1.206 30.873 29.460 0.345 0.000 1.254 215 W HN 0.500 nan 8.180 nan 0.000 0.404 216 W N 2.706 124.220 121.300 0.357 0.000 2.181 216 W HA 0.184 4.845 4.660 0.001 0.000 0.335 216 W C 1.391 177.751 176.519 -0.266 0.000 1.310 216 W CA 0.413 57.829 57.345 0.118 0.000 1.226 216 W CB 0.842 30.348 29.460 0.076 0.000 1.155 216 W HN 0.184 nan 8.180 nan 0.000 0.565 217 S N 3.019 118.468 115.700 -0.419 0.000 2.600 217 S HA 0.159 4.629 4.470 0.001 0.000 0.265 217 S C -1.735 172.578 174.600 -0.479 0.000 1.325 217 S CA -1.016 56.323 58.200 -1.435 0.000 1.002 217 S CB 1.003 63.447 63.200 -1.261 0.000 0.921 217 S HN 0.293 nan 8.310 nan 0.000 0.554 218 P HA -0.190 nan 4.420 nan 0.000 0.217 218 P C 0.879 178.129 177.300 -0.083 0.000 1.162 218 P CA 1.859 64.909 63.100 -0.083 0.000 0.901 218 P CB -0.225 31.479 31.700 0.006 0.000 0.793 219 N N -2.128 116.506 118.700 -0.110 0.000 2.270 219 N HA 0.140 4.881 4.740 0.001 0.000 0.198 219 N C 1.019 176.426 175.510 -0.172 0.000 1.117 219 N CA 0.518 53.499 53.050 -0.116 0.000 0.845 219 N CB -0.773 37.663 38.487 -0.086 0.000 0.980 219 N HN 0.197 nan 8.380 nan 0.000 0.486 220 G N -1.079 107.615 108.800 -0.175 0.000 2.143 220 G HA2 -0.332 3.629 3.960 0.001 0.000 0.249 220 G HA3 -0.332 3.629 3.960 0.001 0.000 0.249 220 G C 0.893 175.767 174.900 -0.043 0.000 0.981 220 G CA 0.773 45.753 45.100 -0.200 0.000 0.665 220 G HN 0.383 nan 8.290 nan 0.000 0.528 221 T N -0.158 114.314 114.554 -0.137 0.000 2.770 221 T HA 0.247 4.597 4.350 0.001 0.000 0.263 221 T C 0.815 175.360 174.700 -0.258 0.000 1.039 221 T CA 1.201 63.126 62.100 -0.291 0.000 1.142 221 T CB -0.049 68.478 68.868 -0.568 0.000 0.868 221 T HN 0.271 nan 8.240 nan 0.000 0.435 222 F N 0.380 120.363 119.950 0.054 0.000 2.425 222 F HA 0.641 5.169 4.527 0.001 0.000 0.331 222 F C -0.233 175.659 175.800 0.153 0.000 1.085 222 F CA -1.793 56.279 58.000 0.120 0.000 1.028 222 F CB 1.155 40.277 39.000 0.203 0.000 1.177 222 F HN -0.113 nan 8.300 nan 0.000 0.487 223 L N 2.712 124.124 121.223 0.316 0.000 2.377 223 L HA 0.783 5.124 4.340 0.001 0.000 0.270 223 L C -0.645 176.325 176.870 0.167 0.000 0.991 223 L CA -0.393 54.452 54.840 0.009 0.000 0.851 223 L CB 0.714 42.511 42.059 -0.437 0.000 1.218 223 L HN 0.667 nan 8.230 nan 0.000 0.420 224 A N 4.443 127.438 122.820 0.292 0.000 2.295 224 A HA 0.811 5.132 4.320 0.001 0.000 0.318 224 A C -1.364 176.306 177.584 0.142 0.000 1.134 224 A CA -0.211 51.858 52.037 0.054 0.000 0.827 224 A CB 0.632 19.703 19.000 0.118 0.000 1.136 224 A HN 0.884 nan 8.150 nan 0.000 0.493 225 Y N -2.148 117.970 120.300 -0.304 0.000 2.624 225 Y HA 0.735 5.286 4.550 0.001 0.000 0.334 225 Y C -0.386 175.410 175.900 -0.172 0.000 1.155 225 Y CA -0.895 57.134 58.100 -0.119 0.000 1.046 225 Y CB 0.758 39.096 38.460 -0.202 0.000 1.316 225 Y HN 0.952 nan 8.280 nan 0.000 0.457 226 A N 2.017 124.928 122.820 0.151 0.000 2.311 226 A HA 0.716 5.037 4.320 0.001 0.000 0.334 226 A C -1.192 176.291 177.584 -0.167 0.000 1.139 226 A CA -0.860 51.126 52.037 -0.086 0.000 0.830 226 A CB 1.789 20.692 19.000 -0.162 0.000 1.234 226 A HN 0.805 nan 8.150 nan 0.000 0.483 227 Q N 0.930 120.546 119.800 -0.306 0.000 2.310 227 Q HA 0.579 4.920 4.340 0.001 0.000 0.270 227 Q C -2.071 173.717 176.000 -0.354 0.000 1.025 227 Q CA -0.342 55.387 55.803 -0.123 0.000 0.772 227 Q CB 1.086 29.983 28.738 0.264 0.000 1.253 227 Q HN 0.600 nan 8.270 nan 0.000 0.450 228 F N 2.231 122.280 119.950 0.165 0.000 2.443 228 F HA 0.420 4.947 4.527 0.001 0.000 0.335 228 F C 0.504 176.453 175.800 0.248 0.000 1.104 228 F CA -0.885 57.189 58.000 0.124 0.000 1.013 228 F CB 1.300 40.279 39.000 -0.036 0.000 1.136 228 F HN 0.412 nan 8.300 nan 0.000 0.470 229 N N 1.953 120.873 118.700 0.367 0.000 2.518 229 N HA 0.212 4.952 4.740 0.001 0.000 0.254 229 N C -0.987 174.699 175.510 0.292 0.000 0.979 229 N CA -0.304 52.926 53.050 0.302 0.000 0.930 229 N CB 1.005 39.614 38.487 0.205 0.000 1.152 229 N HN 0.554 nan 8.380 nan 0.000 0.505 230 D N 1.514 122.112 120.400 0.329 0.000 2.463 230 D HA 0.139 4.780 4.640 0.001 0.000 0.224 230 D C 1.213 177.637 176.300 0.208 0.000 1.174 230 D CA 0.093 54.260 54.000 0.278 0.000 0.829 230 D CB 0.559 41.573 40.800 0.356 0.000 0.993 230 D HN 0.449 nan 8.370 nan 0.000 0.497 231 T N 0.336 114.994 114.554 0.173 0.000 2.653 231 T HA -0.219 4.132 4.350 0.001 0.000 0.268 231 T C 1.322 176.084 174.700 0.103 0.000 1.035 231 T CA 1.380 63.554 62.100 0.124 0.000 1.154 231 T CB -0.052 68.878 68.868 0.103 0.000 0.862 231 T HN 0.288 nan 8.240 nan 0.000 0.441 232 E N 0.320 120.579 120.200 0.100 0.000 2.465 232 E HA 0.181 4.531 4.350 0.001 0.000 0.195 232 E C -0.532 176.119 176.600 0.085 0.000 1.028 232 E CA -0.268 56.180 56.400 0.080 0.000 0.899 232 E CB 0.548 30.287 29.700 0.066 0.000 1.032 232 E HN 0.193 nan 8.360 nan 0.000 0.468 233 V N 3.490 123.468 119.914 0.108 0.000 2.470 233 V HA 0.106 4.226 4.120 0.001 0.000 0.276 233 V C -2.012 174.141 176.094 0.099 0.000 1.040 233 V CA -1.600 60.767 62.300 0.111 0.000 1.008 233 V CB 0.362 32.270 31.823 0.141 0.000 0.990 233 V HN 0.057 nan 8.190 nan 0.000 0.477 234 P HA 0.234 nan 4.420 nan 0.000 0.270 234 P C -0.882 176.462 177.300 0.072 0.000 1.223 234 P CA -0.330 62.810 63.100 0.068 0.000 0.785 234 P CB 0.493 32.230 31.700 0.062 0.000 0.923 235 L N 2.168 123.415 121.223 0.039 0.000 2.317 235 L HA 0.424 4.765 4.340 0.001 0.000 0.281 235 L C 0.112 176.952 176.870 -0.050 0.000 1.024 235 L CA -0.557 54.294 54.840 0.018 0.000 0.810 235 L CB 1.023 43.090 42.059 0.013 0.000 1.240 235 L HN 0.290 nan 8.230 nan 0.000 0.427 236 I N 2.491 122.990 120.570 -0.118 0.000 2.428 236 I HA 0.298 4.469 4.170 0.001 0.000 0.289 236 I C -0.310 175.687 176.117 -0.201 0.000 1.019 236 I CA 0.216 61.346 61.300 -0.283 0.000 1.351 236 I CB 0.550 38.114 38.000 -0.727 0.000 1.412 236 I HN 0.613 nan 8.210 nan 0.000 0.513 237 E N 7.289 127.386 120.200 -0.171 0.000 2.248 237 E HA 0.536 4.886 4.350 0.001 0.000 0.267 237 E C -1.749 174.813 176.600 -0.062 0.000 0.877 237 E CA -0.585 55.720 56.400 -0.159 0.000 0.759 237 E CB 2.155 31.779 29.700 -0.128 0.000 1.182 237 E HN 0.574 nan 8.360 nan 0.000 0.418 238 Y N -1.926 118.287 120.300 -0.144 0.000 2.656 238 Y HA 0.535 5.086 4.550 0.001 0.000 0.334 238 Y C -0.821 175.014 175.900 -0.109 0.000 1.179 238 Y CA -1.258 56.765 58.100 -0.128 0.000 1.050 238 Y CB 0.753 39.143 38.460 -0.116 0.000 1.308 238 Y HN 0.218 nan 8.280 nan 0.000 0.456 239 S N 1.480 117.176 115.700 -0.007 0.000 2.586 239 S HA 0.568 5.039 4.470 0.001 0.000 0.274 239 S C -1.507 172.954 174.600 -0.231 0.000 1.281 239 S CA -0.419 57.632 58.200 -0.248 0.000 1.035 239 S CB 0.669 63.574 63.200 -0.492 0.000 0.962 239 S HN 0.528 nan 8.310 nan 0.000 0.512 240 F N 1.831 121.509 119.950 -0.453 0.000 2.518 240 F HA 0.444 4.971 4.527 0.001 0.000 0.323 240 F C -0.361 175.202 175.800 -0.395 0.000 1.129 240 F CA -0.847 56.990 58.000 -0.273 0.000 0.920 240 F CB 0.940 39.892 39.000 -0.080 0.000 1.160 240 F HN 0.654 nan 8.300 nan 0.000 0.440 241 Y N 2.537 122.620 120.300 -0.362 0.000 2.436 241 Y HA 0.171 4.721 4.550 0.001 0.000 0.288 241 Y C 1.656 177.507 175.900 -0.081 0.000 1.112 241 Y CA 0.999 58.996 58.100 -0.171 0.000 1.220 241 Y CB -0.450 37.894 38.460 -0.193 0.000 1.073 241 Y HN 0.730 nan 8.280 nan 0.000 0.552 242 S N -0.312 115.363 115.700 -0.043 0.000 3.569 242 S HA -0.210 4.260 4.470 0.001 0.000 0.635 242 S C -0.657 174.010 174.600 0.111 0.000 2.396 242 S CA 0.239 58.546 58.200 0.179 0.000 2.612 242 S CB -1.175 62.200 63.200 0.291 0.000 0.331 242 S HN 0.455 nan 8.310 nan 0.000 1.764 243 D N 1.961 122.434 120.400 0.123 0.000 2.368 243 D HA 0.176 4.817 4.640 0.001 0.000 0.240 243 D C 1.480 177.819 176.300 0.064 0.000 1.169 243 D CA 0.553 54.601 54.000 0.081 0.000 0.906 243 D CB 0.239 41.085 40.800 0.077 0.000 1.187 243 D HN 0.716 nan 8.370 nan 0.000 0.435 244 E N -0.384 119.840 120.200 0.040 0.000 2.333 244 E HA -0.197 4.154 4.350 0.001 0.000 0.198 244 E C 1.216 177.833 176.600 0.027 0.000 1.007 244 E CA 1.059 57.474 56.400 0.024 0.000 0.845 244 E CB -0.063 29.641 29.700 0.007 0.000 0.766 244 E HN 0.316 nan 8.360 nan 0.000 0.507 245 S N 0.581 116.304 115.700 0.037 0.000 2.474 245 S HA -0.099 4.372 4.470 0.001 0.000 0.235 245 S C 0.947 175.576 174.600 0.048 0.000 0.997 245 S CA 0.006 58.228 58.200 0.037 0.000 0.949 245 S CB -0.313 62.911 63.200 0.040 0.000 0.766 245 S HN 0.317 nan 8.310 nan 0.000 0.517 246 L N 2.584 123.845 121.223 0.064 0.000 2.385 246 L HA 0.312 4.653 4.340 0.001 0.000 0.281 246 L C 1.393 178.303 176.870 0.067 0.000 1.106 246 L CA 0.072 54.961 54.840 0.083 0.000 0.856 246 L CB 0.575 42.699 42.059 0.108 0.000 1.186 246 L HN 0.279 nan 8.230 nan 0.000 0.453 247 Q N 3.949 123.791 119.800 0.070 0.000 2.119 247 Q HA -0.104 4.237 4.340 0.001 0.000 0.201 247 Q C -0.536 175.396 176.000 -0.113 0.000 0.972 247 Q CA 1.396 57.191 55.803 -0.013 0.000 0.847 247 Q CB 0.124 28.881 28.738 0.032 0.000 0.903 247 Q HN 0.689 nan 8.270 nan 0.000 0.433 248 Y N 0.612 120.927 120.300 0.025 0.000 2.328 248 Y HA 0.377 4.928 4.550 0.001 0.000 0.336 248 Y C -2.081 173.826 175.900 0.011 0.000 0.960 248 Y CA -2.899 55.211 58.100 0.016 0.000 1.134 248 Y CB 1.472 39.932 38.460 0.002 0.000 1.166 248 Y HN 0.135 nan 8.280 nan 0.000 0.464 249 P HA -0.046 nan 4.420 nan 0.000 0.265 249 P C -0.620 176.675 177.300 -0.007 0.000 1.187 249 P CA -0.187 62.913 63.100 0.001 0.000 0.766 249 P CB 0.656 32.292 31.700 -0.107 0.000 0.820 250 K N 1.678 122.064 120.400 -0.024 0.000 2.144 250 K HA 0.334 4.655 4.320 0.001 0.000 0.270 250 K C -0.698 175.849 176.600 -0.087 0.000 1.005 250 K CA -0.341 55.935 56.287 -0.017 0.000 0.932 250 K CB 0.544 33.067 32.500 0.038 0.000 1.021 250 K HN 0.310 nan 8.250 nan 0.000 0.462 251 T N 3.068 117.557 114.554 -0.108 0.000 2.756 251 T HA 0.236 4.587 4.350 0.001 0.000 0.290 251 T C -0.618 173.947 174.700 -0.225 0.000 0.985 251 T CA -0.646 61.353 62.100 -0.169 0.000 0.955 251 T CB 1.045 69.834 68.868 -0.133 0.000 0.930 251 T HN 0.316 nan 8.240 nan 0.000 0.451 252 V N 5.335 125.010 119.914 -0.399 0.000 2.546 252 V HA 0.448 4.569 4.120 0.001 0.000 0.284 252 V C 0.438 176.282 176.094 -0.417 0.000 1.050 252 V CA -0.532 61.491 62.300 -0.462 0.000 0.981 252 V CB 0.889 32.228 31.823 -0.806 0.000 0.990 252 V HN 0.717 nan 8.190 nan 0.000 0.474 253 R N 3.242 123.623 120.500 -0.198 0.000 2.476 253 R HA 0.748 5.089 4.340 0.001 0.000 0.305 253 R C -1.738 174.568 176.300 0.010 0.000 0.965 253 R CA -0.584 55.450 56.100 -0.110 0.000 0.867 253 R CB 2.276 32.534 30.300 -0.069 0.000 1.176 253 R HN 0.503 nan 8.270 nan 0.000 0.447 254 V N 4.193 124.121 119.914 0.024 0.000 2.577 254 V HA 0.327 4.447 4.120 0.001 0.000 0.303 254 V C -2.418 173.745 176.094 0.114 0.000 1.042 254 V CA -2.333 60.046 62.300 0.132 0.000 0.872 254 V CB 2.429 34.312 31.823 0.101 0.000 0.998 254 V HN 0.613 nan 8.190 nan 0.000 0.423 255 P HA 0.168 nan 4.420 nan 0.000 0.264 255 P C -1.429 175.983 177.300 0.187 0.000 1.229 255 P CA 0.326 63.540 63.100 0.191 0.000 0.780 255 P CB -0.188 31.667 31.700 0.258 0.000 0.808 256 Y N 6.646 126.922 120.300 -0.039 0.000 2.315 256 Y HA 0.392 4.943 4.550 0.001 0.000 0.324 256 Y C -2.735 173.130 175.900 -0.058 0.000 1.062 256 Y CA -2.879 55.139 58.100 -0.137 0.000 1.159 256 Y CB 1.840 40.087 38.460 -0.354 0.000 1.145 256 Y HN 0.281 nan 8.280 nan 0.000 0.442 257 P HA 0.254 nan 4.420 nan 0.000 0.291 257 P C -1.006 176.305 177.300 0.018 0.000 1.340 257 P CA -0.238 62.880 63.100 0.030 0.000 0.799 257 P CB 1.364 33.074 31.700 0.016 0.000 0.917 258 K N 2.054 122.553 120.400 0.167 0.000 2.102 258 K HA 0.496 4.817 4.320 0.001 0.000 0.244 258 K C 0.615 177.295 176.600 0.134 0.000 1.021 258 K CA -0.711 55.696 56.287 0.200 0.000 0.913 258 K CB 0.542 33.194 32.500 0.253 0.000 1.062 258 K HN 0.448 nan 8.250 nan 0.000 0.485 259 A N 0.709 123.634 122.820 0.175 0.000 2.584 259 A HA 0.278 4.599 4.320 0.001 0.000 0.239 259 A C 1.240 178.852 177.584 0.047 0.000 1.043 259 A CA 1.040 53.168 52.037 0.152 0.000 0.756 259 A CB -1.140 18.033 19.000 0.289 0.000 0.963 259 A HN 0.905 nan 8.150 nan 0.000 0.511 260 G N 0.991 109.807 108.800 0.027 0.000 2.253 260 G HA2 0.095 4.056 3.960 0.001 0.000 0.251 260 G HA3 0.095 4.056 3.960 0.001 0.000 0.251 260 G C 0.752 175.660 174.900 0.013 0.000 0.998 260 G CA 0.750 45.843 45.100 -0.012 0.000 0.621 260 G HN 2.225 nan 8.290 nan 0.000 0.524 261 A N -0.075 122.768 122.820 0.039 0.000 2.310 261 A HA 0.690 5.011 4.320 0.001 0.000 0.260 261 A C 0.902 178.515 177.584 0.048 0.000 1.112 261 A CA 0.426 52.491 52.037 0.048 0.000 0.804 261 A CB 0.545 19.587 19.000 0.071 0.000 1.081 261 A HN 1.199 nan 8.150 nan 0.000 0.499 262 V N 2.467 122.411 119.914 0.051 0.000 2.529 262 V HA 0.041 4.162 4.120 0.001 0.000 0.292 262 V C 0.368 176.505 176.094 0.071 0.000 1.028 262 V CA -0.107 62.224 62.300 0.053 0.000 1.074 262 V CB -0.072 31.784 31.823 0.055 0.000 0.958 262 V HN 0.809 nan 8.190 nan 0.000 0.481 263 N N 5.926 124.669 118.700 0.071 0.000 2.482 263 N HA 0.510 5.251 4.740 0.001 0.000 0.279 263 N C -2.383 173.211 175.510 0.139 0.000 1.182 263 N CA -1.479 51.636 53.050 0.110 0.000 0.969 263 N CB 1.323 39.877 38.487 0.112 0.000 1.201 263 N HN 0.397 nan 8.380 nan 0.000 0.523 264 P HA 0.124 nan 4.420 nan 0.000 0.274 264 P C -0.451 177.003 177.300 0.257 0.000 1.237 264 P CA -0.160 63.094 63.100 0.257 0.000 0.793 264 P CB 0.464 32.364 31.700 0.333 0.000 0.977 265 T N -1.985 112.699 114.554 0.217 0.000 2.952 265 T HA 0.610 4.961 4.350 0.001 0.000 0.286 265 T C -0.322 174.497 174.700 0.198 0.000 1.024 265 T CA -0.836 61.349 62.100 0.141 0.000 1.029 265 T CB 1.473 70.391 68.868 0.083 0.000 1.094 265 T HN 0.345 nan 8.240 nan 0.000 0.515 266 V N 0.299 120.297 119.914 0.139 0.000 2.925 266 V HA 0.755 4.876 4.120 0.001 0.000 0.311 266 V C -1.620 174.532 176.094 0.098 0.000 1.104 266 V CA -0.863 61.481 62.300 0.074 0.000 0.954 266 V CB 2.150 34.041 31.823 0.114 0.000 1.022 266 V HN 1.068 nan 8.190 nan 0.000 0.427 267 K N 4.203 124.590 120.400 -0.021 0.000 2.435 267 K HA 0.577 4.897 4.320 0.001 0.000 0.251 267 K C -1.961 174.507 176.600 -0.220 0.000 0.954 267 K CA -0.517 55.710 56.287 -0.100 0.000 0.820 267 K CB 2.828 35.212 32.500 -0.193 0.000 1.292 267 K HN 0.536 nan 8.250 nan 0.000 0.436 268 F N 2.168 121.795 119.950 -0.539 0.000 2.507 268 F HA 0.560 5.088 4.527 0.001 0.000 0.325 268 F C -1.438 173.830 175.800 -0.886 0.000 1.116 268 F CA -0.756 56.910 58.000 -0.555 0.000 0.930 268 F CB 0.822 39.630 39.000 -0.320 0.000 1.146 268 F HN 0.382 nan 8.300 nan 0.000 0.447 269 F N 3.986 123.177 119.950 -1.266 0.000 2.603 269 F HA 0.777 5.305 4.527 0.001 0.000 0.317 269 F C -0.926 174.194 175.800 -1.133 0.000 1.066 269 F CA -1.211 56.143 58.000 -1.076 0.000 0.941 269 F CB 2.115 40.394 39.000 -1.201 0.000 1.291 269 F HN 0.106 nan 8.300 nan 0.000 0.472 270 V N 2.421 122.095 119.914 -0.400 0.000 2.686 270 V HA 0.615 4.736 4.120 0.001 0.000 0.306 270 V C -1.256 174.884 176.094 0.076 0.000 1.065 270 V CA -0.822 61.306 62.300 -0.287 0.000 0.894 270 V CB 2.068 33.476 31.823 -0.692 0.000 1.004 270 V HN 0.602 nan 8.190 nan 0.000 0.424 271 V N 4.389 124.432 119.914 0.215 0.000 2.656 271 V HA 0.594 4.714 4.120 0.001 0.000 0.307 271 V C -0.501 175.825 176.094 0.387 0.000 1.051 271 V CA -0.585 61.882 62.300 0.278 0.000 0.893 271 V CB 2.144 34.079 31.823 0.186 0.000 0.999 271 V HN 0.926 nan 8.190 nan 0.000 0.426 272 N N 3.492 122.415 118.700 0.373 0.000 2.408 272 N HA 0.155 4.896 4.740 0.001 0.000 0.257 272 N C 0.898 176.448 175.510 0.066 0.000 1.064 272 N CA 0.573 53.769 53.050 0.242 0.000 0.952 272 N CB 1.746 40.350 38.487 0.195 0.000 1.093 272 N HN 0.920 nan 8.380 nan 0.000 0.490 273 T N -0.457 114.116 114.554 0.031 0.000 3.107 273 T HA 0.111 4.462 4.350 0.001 0.000 0.249 273 T C 0.542 175.206 174.700 -0.060 0.000 1.096 273 T CA 0.249 62.352 62.100 0.004 0.000 1.012 273 T CB 0.200 69.162 68.868 0.157 0.000 0.977 273 T HN 0.228 nan 8.240 nan 0.000 0.527 274 D N 1.946 122.291 120.400 -0.092 0.000 2.354 274 D HA 0.076 4.717 4.640 0.001 0.000 0.209 274 D C 1.218 177.469 176.300 -0.080 0.000 1.015 274 D CA 0.561 54.504 54.000 -0.095 0.000 0.867 274 D CB 0.330 41.052 40.800 -0.130 0.000 0.933 274 D HN 0.619 nan 8.370 nan 0.000 0.520 275 S N -0.002 115.654 115.700 -0.073 0.000 2.525 275 S HA 0.339 4.810 4.470 0.001 0.000 0.242 275 S C 0.150 174.706 174.600 -0.073 0.000 1.164 275 S CA -0.635 57.539 58.200 -0.044 0.000 1.154 275 S CB -0.320 62.884 63.200 0.007 0.000 0.875 275 S HN -0.044 nan 8.310 nan 0.000 0.482 276 L N 1.762 122.872 121.223 -0.189 0.000 2.357 276 L HA 0.657 4.997 4.340 0.001 0.000 0.273 276 L C 0.418 177.165 176.870 -0.206 0.000 1.080 276 L CA -0.363 54.284 54.840 -0.322 0.000 0.803 276 L CB 1.694 43.261 42.059 -0.820 0.000 1.174 276 L HN 0.407 nan 8.230 nan 0.000 0.443 277 S N -0.468 115.224 115.700 -0.013 0.000 2.542 277 S HA 0.347 4.818 4.470 0.001 0.000 0.293 277 S C 0.590 175.404 174.600 0.356 0.000 1.089 277 S CA -0.310 57.991 58.200 0.168 0.000 0.961 277 S CB 1.779 65.043 63.200 0.108 0.000 1.062 277 S HN 0.660 nan 8.310 nan 0.000 0.483 278 S N 2.621 118.525 115.700 0.340 0.000 2.528 278 S HA 0.064 4.535 4.470 0.001 0.000 0.219 278 S C 1.283 175.970 174.600 0.145 0.000 0.985 278 S CA 0.412 58.749 58.200 0.228 0.000 0.914 278 S CB -0.128 63.137 63.200 0.107 0.000 0.776 278 S HN 0.509 nan 8.310 nan 0.000 0.526 279 V N 1.295 121.286 119.914 0.130 0.000 2.685 279 V HA 0.127 4.248 4.120 0.001 0.000 0.244 279 V C 0.994 177.138 176.094 0.083 0.000 1.054 279 V CA 1.057 63.410 62.300 0.088 0.000 1.076 279 V CB -0.495 31.369 31.823 0.069 0.000 0.725 279 V HN 0.474 nan 8.190 nan 0.000 0.467 280 T N 0.503 115.115 114.554 0.097 0.000 2.918 280 T HA 0.376 4.727 4.350 0.001 0.000 0.286 280 T C -0.281 174.486 174.700 0.111 0.000 1.026 280 T CA -0.512 61.635 62.100 0.078 0.000 1.031 280 T CB 1.276 70.180 68.868 0.060 0.000 1.046 280 T HN 0.096 nan 8.240 nan 0.000 0.479 281 N N 1.715 120.466 118.700 0.085 0.000 2.513 281 N HA 0.383 5.123 4.740 0.001 0.000 0.268 281 N C 0.193 175.775 175.510 0.120 0.000 1.180 281 N CA -0.178 52.955 53.050 0.138 0.000 0.948 281 N CB 0.785 39.304 38.487 0.053 0.000 1.083 281 N HN 0.839 nan 8.380 nan 0.000 0.455 282 A N 1.968 124.873 122.820 0.141 0.000 2.547 282 A HA 0.172 4.493 4.320 0.001 0.000 0.233 282 A C 0.282 177.914 177.584 0.081 0.000 1.067 282 A CA 0.329 52.416 52.037 0.084 0.000 0.763 282 A CB 0.014 19.042 19.000 0.046 0.000 1.007 282 A HN 0.554 nan 8.150 nan 0.000 0.506 283 T N 2.245 116.850 114.554 0.084 0.000 2.771 283 T HA 0.471 4.822 4.350 0.001 0.000 0.281 283 T C -0.050 174.725 174.700 0.124 0.000 0.982 283 T CA -0.106 62.052 62.100 0.096 0.000 0.978 283 T CB 0.979 69.912 68.868 0.107 0.000 0.930 283 T HN 0.556 nan 8.240 nan 0.000 0.447 284 S N 3.426 119.190 115.700 0.107 0.000 2.462 284 S HA 0.500 4.971 4.470 0.001 0.000 0.294 284 S C -0.057 174.678 174.600 0.224 0.000 1.144 284 S CA -0.792 57.492 58.200 0.142 0.000 1.088 284 S CB 0.398 63.598 63.200 0.001 0.000 1.009 284 S HN 0.469 nan 8.310 nan 0.000 0.484 285 I N 3.338 124.060 120.570 0.252 0.000 2.315 285 I HA 0.290 4.461 4.170 0.001 0.000 0.291 285 I C 0.490 176.722 176.117 0.192 0.000 1.006 285 I CA -0.327 61.131 61.300 0.263 0.000 1.265 285 I CB 1.013 39.240 38.000 0.378 0.000 1.387 285 I HN 0.668 nan 8.210 nan 0.000 0.475 286 Q N 6.416 126.312 119.800 0.161 0.000 2.261 286 Q HA 0.509 4.850 4.340 0.001 0.000 0.252 286 Q C -1.138 174.814 176.000 -0.080 0.000 0.915 286 Q CA -0.430 55.297 55.803 -0.127 0.000 0.915 286 Q CB 1.376 29.988 28.738 -0.210 0.000 1.204 286 Q HN 0.571 nan 8.270 nan 0.000 0.421 287 I N 4.289 124.790 120.570 -0.116 0.000 2.354 287 I HA 0.207 4.378 4.170 0.001 0.000 0.286 287 I C 0.266 176.389 176.117 0.010 0.000 1.007 287 I CA -0.718 60.590 61.300 0.013 0.000 1.167 287 I CB 1.486 39.543 38.000 0.095 0.000 1.320 287 I HN 0.700 nan 8.210 nan 0.000 0.458 288 T N 2.882 117.404 114.554 -0.054 0.000 2.882 288 T HA 0.642 4.992 4.350 0.001 0.000 0.287 288 T C 0.365 174.903 174.700 -0.271 0.000 1.014 288 T CA -0.782 61.233 62.100 -0.141 0.000 1.049 288 T CB 1.639 70.418 68.868 -0.148 0.000 1.001 288 T HN 0.570 nan 8.240 nan 0.000 0.525 289 A N 2.866 125.287 122.820 -0.665 0.000 2.332 289 A HA 0.623 4.944 4.320 0.001 0.000 0.258 289 A C -1.866 175.249 177.584 -0.782 0.000 1.087 289 A CA -1.715 49.509 52.037 -1.355 0.000 0.802 289 A CB -0.577 16.994 19.000 -2.382 0.000 1.042 289 A HN 0.833 nan 8.150 nan 0.000 0.489 290 P HA 0.142 nan 4.420 nan 0.000 0.270 290 P C 0.684 177.767 177.300 -0.362 0.000 1.223 290 P CA 0.545 63.417 63.100 -0.381 0.000 0.785 290 P CB 0.853 32.401 31.700 -0.253 0.000 0.923 291 A N 2.475 125.153 122.820 -0.236 0.000 1.940 291 A HA -0.197 4.123 4.320 0.001 0.000 0.219 291 A C 2.242 179.709 177.584 -0.194 0.000 1.176 291 A CA 2.365 54.282 52.037 -0.200 0.000 0.631 291 A CB -1.781 17.138 19.000 -0.134 0.000 0.814 291 A HN 0.687 nan 8.150 nan 0.000 0.446 292 S N -1.343 114.263 115.700 -0.157 0.000 2.469 292 S HA -0.104 4.367 4.470 0.001 0.000 0.238 292 S C 1.703 176.198 174.600 -0.175 0.000 0.998 292 S CA 1.568 59.692 58.200 -0.127 0.000 0.957 292 S CB -0.300 62.898 63.200 -0.003 0.000 0.764 292 S HN 0.412 nan 8.310 nan 0.000 0.514 293 M N 0.678 120.110 119.600 -0.281 0.000 2.556 293 M HA 0.368 4.848 4.480 0.001 0.000 0.264 293 M C 1.949 177.932 176.300 -0.530 0.000 1.163 293 M CA 0.648 55.698 55.300 -0.417 0.000 1.186 293 M CB -1.114 31.090 32.600 -0.660 0.000 1.321 293 M HN 0.314 nan 8.290 nan 0.000 0.485 294 L N 1.132 122.062 121.223 -0.488 0.000 2.450 294 L HA -0.123 4.218 4.340 0.001 0.000 0.224 294 L C 2.304 179.082 176.870 -0.155 0.000 1.149 294 L CA 0.491 55.139 54.840 -0.320 0.000 0.816 294 L CB -0.882 41.020 42.059 -0.262 0.000 0.932 294 L HN 0.312 nan 8.230 nan 0.000 0.449 295 I N -2.579 117.899 120.570 -0.152 0.000 2.454 295 I HA 0.053 4.224 4.170 0.001 0.000 0.254 295 I C 1.128 177.210 176.117 -0.060 0.000 1.156 295 I CA 0.918 62.159 61.300 -0.099 0.000 1.433 295 I CB -0.481 37.452 38.000 -0.111 0.000 1.082 295 I HN 0.114 nan 8.210 nan 0.000 0.432 296 G N 0.091 108.870 108.800 -0.035 0.000 2.815 296 G HA2 0.276 4.237 3.960 0.001 0.000 0.305 296 G HA3 0.276 4.237 3.960 0.001 0.000 0.305 296 G C -1.736 173.222 174.900 0.097 0.000 1.277 296 G CA -0.545 44.559 45.100 0.007 0.000 0.795 296 G HN 0.041 nan 8.290 nan 0.000 0.528 297 D N 1.139 121.552 120.400 0.022 0.000 2.423 297 D HA 0.424 5.065 4.640 0.001 0.000 0.238 297 D C 0.303 176.574 176.300 -0.048 0.000 1.142 297 D CA 0.736 54.702 54.000 -0.056 0.000 0.884 297 D CB 0.565 41.283 40.800 -0.136 0.000 1.199 297 D HN 0.569 nan 8.370 nan 0.000 0.438 298 H N -1.287 117.623 119.070 -0.266 0.000 2.902 298 H HA 0.414 4.971 4.556 0.001 0.000 0.297 298 H C -1.442 173.707 175.328 -0.297 0.000 1.406 298 H CA -0.773 55.117 56.048 -0.263 0.000 1.134 298 H CB 0.301 30.058 29.762 -0.009 0.000 1.833 298 H HN 0.327 nan 8.280 nan 0.000 0.527 299 Y N -0.240 120.279 120.300 0.365 0.000 2.581 299 Y HA 0.454 5.004 4.550 0.001 0.000 0.345 299 Y C -0.591 175.583 175.900 0.457 0.000 1.036 299 Y CA -1.156 57.166 58.100 0.371 0.000 1.042 299 Y CB 1.903 40.432 38.460 0.114 0.000 1.289 299 Y HN 0.484 nan 8.280 nan 0.000 0.471 300 L N 2.573 124.131 121.223 0.558 0.000 2.265 300 L HA 0.446 4.786 4.340 0.001 0.000 0.289 300 L C 0.311 177.239 176.870 0.097 0.000 1.033 300 L CA -0.389 54.441 54.840 -0.017 0.000 0.814 300 L CB 0.487 42.464 42.059 -0.137 0.000 1.203 300 L HN 0.975 nan 8.230 nan 0.000 0.423 301 C N 1.218 120.440 119.300 -0.131 0.000 3.228 301 C HA 0.521 4.982 4.460 0.001 0.000 0.290 301 C C 0.214 175.051 174.990 -0.255 0.000 1.301 301 C CA -0.399 58.469 59.018 -0.249 0.000 1.703 301 C CB -0.645 27.007 27.740 -0.146 0.000 2.141 301 C HN 0.838 nan 8.230 nan 0.000 0.656 302 D N 0.077 120.350 120.400 -0.211 0.000 2.769 302 D HA 0.427 5.068 4.640 0.001 0.000 0.219 302 D C -1.873 174.161 176.300 -0.443 0.000 1.245 302 D CA 0.118 54.014 54.000 -0.173 0.000 0.801 302 D CB 2.693 43.389 40.800 -0.174 0.000 1.598 302 D HN 0.047 nan 8.370 nan 0.000 0.485 303 V N 2.343 121.931 119.914 -0.544 0.000 2.623 303 V HA 0.606 4.727 4.120 0.001 0.000 0.304 303 V C -0.471 175.254 176.094 -0.614 0.000 1.054 303 V CA -0.399 61.349 62.300 -0.920 0.000 0.882 303 V CB 2.008 32.764 31.823 -1.779 0.000 1.002 303 V HN 0.657 nan 8.190 nan 0.000 0.424 304 T N 3.408 117.680 114.554 -0.470 0.000 3.143 304 T HA 0.325 4.675 4.350 0.001 0.000 0.312 304 T C -0.934 173.653 174.700 -0.189 0.000 0.986 304 T CA -0.487 61.502 62.100 -0.185 0.000 1.024 304 T CB 0.783 69.614 68.868 -0.061 0.000 1.030 304 T HN 0.521 nan 8.240 nan 0.000 0.448 305 W N 2.186 123.454 121.300 -0.053 0.000 2.210 305 W HA 0.467 5.128 4.660 0.001 0.000 0.330 305 W C 1.187 177.618 176.519 -0.148 0.000 1.334 305 W CA -0.222 57.084 57.345 -0.065 0.000 1.227 305 W CB 0.570 30.068 29.460 0.063 0.000 1.178 305 W HN 0.857 nan 8.180 nan 0.000 0.560 306 A N 2.035 124.765 122.820 -0.150 0.000 1.920 306 A HA 0.186 4.506 4.320 0.001 0.000 0.209 306 A C 0.940 178.501 177.584 -0.040 0.000 1.229 306 A CA 1.591 53.304 52.037 -0.540 0.000 0.671 306 A CB -0.409 17.783 19.000 -1.347 0.000 0.886 306 A HN 0.543 nan 8.150 nan 0.000 0.461 307 T N -5.622 109.003 114.554 0.119 0.000 2.618 307 T HA 0.337 4.688 4.350 0.001 0.000 0.286 307 T C 0.171 175.046 174.700 0.292 0.000 1.027 307 T CA -0.328 61.884 62.100 0.186 0.000 1.063 307 T CB 0.623 69.582 68.868 0.151 0.000 1.440 307 T HN -0.025 nan 8.240 nan 0.000 0.505 308 Q N 0.307 120.239 119.800 0.220 0.000 2.291 308 Q HA 0.035 4.375 4.340 0.001 0.000 0.206 308 Q C 0.893 177.150 176.000 0.429 0.000 0.976 308 Q CA 1.463 57.394 55.803 0.214 0.000 0.875 308 Q CB -0.095 28.722 28.738 0.132 0.000 0.927 308 Q HN 0.822 nan 8.270 nan 0.000 0.450 309 E N -0.314 120.155 120.200 0.449 0.000 2.759 309 E HA 0.179 4.530 4.350 0.001 0.000 0.220 309 E C -0.137 176.768 176.600 0.509 0.000 0.974 309 E CA -0.175 56.532 56.400 0.512 0.000 1.148 309 E CB 1.090 30.987 29.700 0.328 0.000 1.059 309 E HN -0.035 nan 8.360 nan 0.000 0.493 310 R N 1.620 122.417 120.500 0.495 0.000 2.532 310 R HA 0.551 4.891 4.340 0.001 0.000 0.297 310 R C -1.659 174.692 176.300 0.085 0.000 0.984 310 R CA -0.451 55.815 56.100 0.277 0.000 0.884 310 R CB 1.315 31.658 30.300 0.072 0.000 1.182 310 R HN 0.045 nan 8.270 nan 0.000 0.442 311 I N 2.981 123.449 120.570 -0.169 0.000 2.608 311 I HA 0.427 4.598 4.170 0.001 0.000 0.295 311 I C -0.944 174.883 176.117 -0.484 0.000 1.049 311 I CA -0.510 60.416 61.300 -0.624 0.000 1.063 311 I CB 2.272 39.509 38.000 -1.271 0.000 1.248 311 I HN 0.857 nan 8.210 nan 0.000 0.424 312 S N 7.489 122.885 115.700 -0.506 0.000 2.503 312 S HA 0.811 5.282 4.470 0.001 0.000 0.301 312 S C -1.051 173.245 174.600 -0.506 0.000 1.087 312 S CA -0.712 57.268 58.200 -0.367 0.000 1.042 312 S CB 1.644 64.744 63.200 -0.167 0.000 1.043 312 S HN 0.543 nan 8.310 nan 0.000 0.489 313 L N 1.679 122.615 121.223 -0.478 0.000 2.422 313 L HA 0.576 4.917 4.340 0.001 0.000 0.264 313 L C -0.539 176.036 176.870 -0.491 0.000 0.984 313 L CA -0.767 53.671 54.840 -0.671 0.000 0.819 313 L CB 2.241 43.762 42.059 -0.898 0.000 1.330 313 L HN 0.676 nan 8.230 nan 0.000 0.410 314 Q N 1.196 120.669 119.800 -0.546 0.000 2.337 314 Q HA 0.497 4.838 4.340 0.001 0.000 0.266 314 Q C -1.790 173.965 176.000 -0.407 0.000 1.023 314 Q CA -0.596 55.018 55.803 -0.314 0.000 0.829 314 Q CB 2.674 31.288 28.738 -0.206 0.000 1.306 314 Q HN 0.416 nan 8.270 nan 0.000 0.449 315 W N 2.096 123.364 121.300 -0.052 0.000 2.689 315 W HA 0.633 5.294 4.660 0.001 0.000 0.340 315 W C -0.998 175.568 176.519 0.078 0.000 1.060 315 W CA -0.664 56.699 57.345 0.031 0.000 1.218 315 W CB 1.181 30.643 29.460 0.004 0.000 1.410 315 W HN 0.383 nan 8.180 nan 0.000 0.528 316 L N 2.708 124.175 121.223 0.408 0.000 2.385 316 L HA 0.577 4.918 4.340 0.001 0.000 0.273 316 L C -0.081 176.991 176.870 0.336 0.000 0.990 316 L CA -1.073 53.965 54.840 0.330 0.000 0.821 316 L CB 1.303 43.539 42.059 0.295 0.000 1.279 316 L HN 0.408 nan 8.230 nan 0.000 0.412 317 R N 2.452 123.109 120.500 0.262 0.000 2.679 317 R HA 0.242 4.583 4.340 0.001 0.000 0.269 317 R C 0.980 177.340 176.300 0.101 0.000 1.076 317 R CA -0.216 55.977 56.100 0.155 0.000 1.160 317 R CB 0.589 30.956 30.300 0.111 0.000 1.054 317 R HN 0.655 nan 8.270 nan 0.000 0.507 318 R N 0.979 121.459 120.500 -0.035 0.000 2.105 318 R HA -0.058 4.283 4.340 0.001 0.000 0.239 318 R C 0.461 176.814 176.300 0.090 0.000 1.135 318 R CA 1.119 57.191 56.100 -0.047 0.000 0.967 318 R CB 0.145 30.377 30.300 -0.114 0.000 0.861 318 R HN 0.382 nan 8.270 nan 0.000 0.442 319 I N 2.817 123.423 120.570 0.060 0.000 2.329 319 I HA -0.015 4.156 4.170 0.001 0.000 0.295 319 I C 0.291 176.469 176.117 0.102 0.000 1.109 319 I CA 0.531 61.869 61.300 0.064 0.000 1.297 319 I CB 0.918 38.940 38.000 0.036 0.000 1.433 319 I HN 0.289 nan 8.210 nan 0.000 0.509 320 Q N 4.572 124.435 119.800 0.105 0.000 2.294 320 Q HA -0.075 4.265 4.340 0.001 0.000 0.207 320 Q C 0.477 176.562 176.000 0.142 0.000 0.887 320 Q CA 0.151 56.030 55.803 0.127 0.000 0.987 320 Q CB -0.354 28.420 28.738 0.059 0.000 1.101 320 Q HN 0.625 nan 8.270 nan 0.000 0.447 321 N N -0.903 117.883 118.700 0.142 0.000 2.282 321 N HA -0.018 4.723 4.740 0.001 0.000 0.240 321 N C -1.201 174.420 175.510 0.186 0.000 1.182 321 N CA -0.302 52.822 53.050 0.124 0.000 0.874 321 N CB 0.294 38.828 38.487 0.077 0.000 1.126 321 N HN 0.163 nan 8.380 nan 0.000 0.516 322 Y N 1.135 121.465 120.300 0.050 0.000 2.298 322 Y HA 0.490 5.041 4.550 0.001 0.000 0.322 322 Y C -1.210 174.730 175.900 0.067 0.000 1.138 322 Y CA -0.948 57.180 58.100 0.047 0.000 1.127 322 Y CB 1.100 39.579 38.460 0.031 0.000 1.178 322 Y HN 0.173 nan 8.280 nan 0.000 0.428 323 S N 3.839 119.484 115.700 -0.091 0.000 2.600 323 S HA 0.939 5.410 4.470 0.001 0.000 0.300 323 S C -1.594 172.944 174.600 -0.103 0.000 1.087 323 S CA -0.812 57.394 58.200 0.011 0.000 0.965 323 S CB 2.215 65.433 63.200 0.031 0.000 1.089 323 S HN 0.400 nan 8.310 nan 0.000 0.496 324 V N 2.484 122.428 119.914 0.051 0.000 2.638 324 V HA 0.506 4.626 4.120 0.001 0.000 0.306 324 V C -0.568 175.584 176.094 0.096 0.000 1.052 324 V CA -0.624 61.703 62.300 0.045 0.000 0.885 324 V CB 1.791 33.670 31.823 0.094 0.000 0.999 324 V HN 1.027 nan 8.190 nan 0.000 0.424 325 M N 3.813 123.436 119.600 0.039 0.000 2.180 325 M HA 0.528 5.008 4.480 0.001 0.000 0.350 325 M C -1.297 175.027 176.300 0.040 0.000 1.125 325 M CA -0.302 55.000 55.300 0.004 0.000 1.031 325 M CB 1.175 33.735 32.600 -0.066 0.000 1.623 325 M HN 0.602 nan 8.290 nan 0.000 0.451 326 D N 4.966 125.383 120.400 0.028 0.000 2.185 326 D HA 0.540 5.181 4.640 0.001 0.000 0.247 326 D C -0.998 175.285 176.300 -0.028 0.000 1.027 326 D CA -0.051 53.962 54.000 0.023 0.000 0.861 326 D CB 1.777 42.618 40.800 0.068 0.000 1.202 326 D HN 0.601 nan 8.370 nan 0.000 0.453 327 I N 2.366 122.939 120.570 0.005 0.000 2.411 327 I HA 0.261 4.432 4.170 0.001 0.000 0.284 327 I C -0.637 175.488 176.117 0.013 0.000 1.012 327 I CA -0.597 60.703 61.300 -0.001 0.000 1.119 327 I CB 1.251 39.306 38.000 0.091 0.000 1.261 327 I HN 0.166 nan 8.210 nan 0.000 0.448 328 c N 3.869 122.470 118.600 0.001 0.000 2.329 328 c HA 0.541 5.111 4.570 0.001 0.000 0.329 328 c C -0.211 174.026 174.090 0.244 0.000 1.275 328 c CA -0.695 55.704 56.329 0.116 0.000 1.726 328 c CB 0.814 43.401 42.510 0.129 0.000 2.291 328 c HN 0.573 nan 8.230 nan 0.000 0.514 329 D N 0.415 120.934 120.400 0.199 0.000 2.248 329 D HA 0.313 4.954 4.640 0.001 0.000 0.246 329 D C -0.624 175.613 176.300 -0.105 0.000 1.027 329 D CA -0.226 53.845 54.000 0.117 0.000 0.853 329 D CB 0.858 41.681 40.800 0.039 0.000 1.243 329 D HN 0.571 nan 8.370 nan 0.000 0.462 330 Y N 1.710 121.648 120.300 -0.604 0.000 2.442 330 Y HA 0.177 4.727 4.550 0.001 0.000 0.330 330 Y C -0.102 175.505 175.900 -0.489 0.000 1.129 330 Y CA 0.006 57.429 58.100 -1.129 0.000 1.365 330 Y CB 0.672 38.378 38.460 -1.257 0.000 1.233 330 Y HN 0.175 nan 8.280 nan 0.000 0.529 331 D N 5.588 125.333 120.400 -1.091 0.000 2.412 331 D HA 0.060 4.701 4.640 0.001 0.000 0.224 331 D C 0.610 176.325 176.300 -0.975 0.000 1.093 331 D CA -0.118 53.445 54.000 -0.729 0.000 0.850 331 D CB 0.972 41.510 40.800 -0.436 0.000 1.046 331 D HN 0.913 nan 8.370 nan 0.000 0.507 332 E N 1.753 121.566 120.200 -0.644 0.000 2.333 332 E HA -0.126 4.225 4.350 0.001 0.000 0.198 332 E C 1.043 177.522 176.600 -0.202 0.000 1.007 332 E CA 0.821 57.013 56.400 -0.346 0.000 0.845 332 E CB 0.483 30.153 29.700 -0.050 0.000 0.766 332 E HN 0.302 nan 8.360 nan 0.000 0.507 333 S N -0.324 115.251 115.700 -0.207 0.000 2.325 333 S HA -0.126 4.345 4.470 0.001 0.000 0.214 333 S C 2.085 176.620 174.600 -0.109 0.000 1.031 333 S CA 1.142 59.271 58.200 -0.119 0.000 0.972 333 S CB -0.168 62.972 63.200 -0.100 0.000 0.908 333 S HN 0.458 nan 8.310 nan 0.000 0.453 334 S N 0.441 116.053 115.700 -0.146 0.000 2.425 334 S HA 0.303 4.774 4.470 0.001 0.000 0.225 334 S C 1.615 176.160 174.600 -0.092 0.000 1.024 334 S CA 0.825 58.966 58.200 -0.099 0.000 0.951 334 S CB -0.365 62.778 63.200 -0.094 0.000 0.796 334 S HN 0.962 nan 8.310 nan 0.000 0.498 335 G N 1.628 110.294 108.800 -0.224 0.000 2.132 335 G HA2 -0.180 3.781 3.960 0.001 0.000 0.234 335 G HA3 -0.180 3.781 3.960 0.001 0.000 0.234 335 G C 0.038 174.912 174.900 -0.044 0.000 0.989 335 G CA -0.078 44.951 45.100 -0.119 0.000 0.676 335 G HN 0.523 nan 8.290 nan 0.000 0.522 336 R N -1.347 119.043 120.500 -0.183 0.000 2.700 336 R HA 0.711 5.051 4.340 0.001 0.000 0.253 336 R C -0.642 175.546 176.300 -0.186 0.000 1.091 336 R CA -1.237 54.844 56.100 -0.031 0.000 1.104 336 R CB 0.359 30.658 30.300 -0.003 0.000 1.202 336 R HN 0.183 nan 8.270 nan 0.000 0.532 337 W N 0.441 121.746 121.300 0.008 0.000 2.417 337 W HA 0.411 5.072 4.660 0.001 0.000 0.315 337 W C -0.308 176.196 176.519 -0.025 0.000 1.045 337 W CA -0.368 56.979 57.345 0.002 0.000 1.221 337 W CB 1.012 30.473 29.460 0.002 0.000 1.309 337 W HN 0.402 nan 8.180 nan 0.000 0.453 338 N N 2.317 121.085 118.700 0.112 0.000 2.372 338 N HA 0.503 5.244 4.740 0.001 0.000 0.291 338 N C -1.423 174.128 175.510 0.068 0.000 1.024 338 N CA -0.662 52.423 53.050 0.058 0.000 0.873 338 N CB 1.143 39.625 38.487 -0.009 0.000 1.206 338 N HN 0.194 nan 8.380 nan 0.000 0.486 339 c N 3.213 121.841 118.600 0.046 0.000 2.250 339 c HA 0.348 4.919 4.570 0.001 0.000 0.319 339 c C 0.471 174.563 174.090 0.004 0.000 1.124 339 c CA -1.100 55.247 56.329 0.030 0.000 1.527 339 c CB -1.420 41.104 42.510 0.022 0.000 2.001 339 c HN 0.632 nan 8.230 nan 0.000 0.435 340 L N 2.565 123.791 121.223 0.004 0.000 2.559 340 L HA 0.019 4.359 4.340 0.001 0.000 0.274 340 L C 1.566 178.421 176.870 -0.026 0.000 1.205 340 L CA 0.153 54.987 54.840 -0.010 0.000 0.907 340 L CB 0.583 42.640 42.059 -0.004 0.000 1.153 340 L HN 0.584 nan 8.230 nan 0.000 0.490 341 V N 3.370 123.262 119.914 -0.036 0.000 2.469 341 V HA -0.321 3.799 4.120 0.001 0.000 0.251 341 V C 2.327 178.380 176.094 -0.068 0.000 1.064 341 V CA 2.034 64.303 62.300 -0.051 0.000 1.066 341 V CB -0.804 30.991 31.823 -0.047 0.000 0.667 341 V HN 1.034 nan 8.190 nan 0.000 0.461 342 A N -0.109 122.678 122.820 -0.054 0.000 2.070 342 A HA -0.170 4.151 4.320 0.001 0.000 0.220 342 A C 2.198 179.725 177.584 -0.094 0.000 1.159 342 A CA 1.357 53.357 52.037 -0.063 0.000 0.656 342 A CB -0.415 18.564 19.000 -0.034 0.000 0.800 342 A HN 0.560 nan 8.150 nan 0.000 0.453 343 R N -0.690 119.764 120.500 -0.076 0.000 2.426 343 R HA 0.165 4.506 4.340 0.001 0.000 0.263 343 R C 0.322 176.510 176.300 -0.187 0.000 0.961 343 R CA -0.165 55.895 56.100 -0.067 0.000 1.086 343 R CB 0.111 30.442 30.300 0.050 0.000 1.186 343 R HN 0.590 nan 8.270 nan 0.000 0.537 344 Q N 0.760 120.407 119.800 -0.255 0.000 2.261 344 Q HA 0.113 4.454 4.340 0.001 0.000 0.252 344 Q C -0.884 174.847 176.000 -0.448 0.000 0.915 344 Q CA -0.156 55.514 55.803 -0.222 0.000 0.915 344 Q CB 0.805 29.471 28.738 -0.119 0.000 1.204 344 Q HN 0.250 nan 8.270 nan 0.000 0.421 345 H N 3.990 123.063 119.070 0.005 0.000 2.609 345 H HA 0.388 4.945 4.556 0.001 0.000 0.344 345 H C -0.734 174.569 175.328 -0.042 0.000 1.040 345 H CA -0.474 55.578 56.048 0.007 0.000 1.216 345 H CB 1.015 30.778 29.762 0.003 0.000 1.529 345 H HN 0.578 nan 8.280 nan 0.000 0.519 346 I N 2.168 122.756 120.570 0.031 0.000 2.392 346 I HA 0.185 4.356 4.170 0.001 0.000 0.295 346 I C 0.273 176.338 176.117 -0.087 0.000 0.985 346 I CA -0.282 60.948 61.300 -0.116 0.000 1.221 346 I CB 1.687 39.574 38.000 -0.190 0.000 1.366 346 I HN 0.494 nan 8.210 nan 0.000 0.467 347 E N 8.215 128.313 120.200 -0.171 0.000 2.241 347 E HA 0.609 4.960 4.350 0.001 0.000 0.263 347 E C -1.230 175.274 176.600 -0.160 0.000 0.882 347 E CA -0.718 55.629 56.400 -0.089 0.000 0.769 347 E CB 1.564 31.251 29.700 -0.021 0.000 1.185 347 E HN 0.648 nan 8.360 nan 0.000 0.415 348 M N 1.484 121.027 119.600 -0.096 0.000 2.704 348 M HA 0.665 5.146 4.480 0.001 0.000 0.284 348 M C -1.302 174.995 176.300 -0.005 0.000 1.275 348 M CA -0.899 54.370 55.300 -0.052 0.000 0.811 348 M CB 2.302 34.888 32.600 -0.023 0.000 1.741 348 M HN 0.283 nan 8.290 nan 0.000 0.458 349 S N -0.643 115.063 115.700 0.010 0.000 2.541 349 S HA 0.607 5.077 4.470 0.001 0.000 0.280 349 S C 0.062 174.655 174.600 -0.012 0.000 1.112 349 S CA 0.033 58.224 58.200 -0.015 0.000 0.925 349 S CB 1.851 65.014 63.200 -0.062 0.000 1.067 349 S HN 0.916 nan 8.310 nan 0.000 0.479 350 T N -0.380 114.164 114.554 -0.017 0.000 3.023 350 T HA 0.122 4.473 4.350 0.001 0.000 0.253 350 T C 1.314 175.992 174.700 -0.036 0.000 1.038 350 T CA 0.721 62.813 62.100 -0.013 0.000 0.962 350 T CB -0.171 68.697 68.868 -0.000 0.000 1.018 350 T HN 0.679 nan 8.240 nan 0.000 0.521 351 T N -2.339 112.177 114.554 -0.063 0.000 2.971 351 T HA 0.624 4.975 4.350 0.001 0.000 0.252 351 T C 1.042 175.536 174.700 -0.343 0.000 1.022 351 T CA 0.345 62.398 62.100 -0.078 0.000 0.980 351 T CB 0.644 69.548 68.868 0.061 0.000 1.044 351 T HN 0.575 nan 8.240 nan 0.000 0.501 352 G N 0.462 108.894 108.800 -0.613 0.000 2.604 352 G HA2 0.491 4.452 3.960 0.001 0.000 0.242 352 G HA3 0.491 4.452 3.960 0.001 0.000 0.242 352 G C -1.691 172.922 174.900 -0.478 0.000 1.208 352 G CA -0.621 43.877 45.100 -1.002 0.000 0.912 352 G HN 0.471 nan 8.290 nan 0.000 0.502 353 W N -0.053 121.020 121.300 -0.377 0.000 2.260 353 W HA 0.737 5.398 4.660 0.001 0.000 0.366 353 W C -0.350 176.136 176.519 -0.055 0.000 1.315 353 W CA -1.292 55.949 57.345 -0.174 0.000 1.458 353 W CB 0.643 29.968 29.460 -0.225 0.000 1.255 353 W HN 0.263 nan 8.180 nan 0.000 0.671 354 V N 3.089 123.072 119.914 0.114 0.000 2.465 354 V HA 0.693 4.813 4.120 0.001 0.000 0.279 354 V C 0.811 176.974 176.094 0.115 0.000 1.045 354 V CA 0.300 62.629 62.300 0.049 0.000 0.938 354 V CB -0.031 31.826 31.823 0.057 0.000 0.986 354 V HN 1.303 nan 8.190 nan 0.000 0.467 355 G N 5.017 113.843 108.800 0.043 0.000 2.829 355 G HA2 -0.186 3.774 3.960 0.001 0.000 0.628 355 G HA3 -0.186 3.774 3.960 0.001 0.000 0.628 355 G C 0.386 175.372 174.900 0.142 0.000 1.412 355 G CA 0.151 45.303 45.100 0.087 0.000 0.864 355 G HN 0.646 nan 8.290 nan 0.000 0.544 356 R N -0.560 120.016 120.500 0.128 0.000 2.075 356 R HA 0.029 4.370 4.340 0.001 0.000 0.230 356 R C 2.066 178.350 176.300 -0.027 0.000 1.140 356 R CA 2.291 58.427 56.100 0.061 0.000 0.928 356 R CB -0.169 30.192 30.300 0.101 0.000 0.834 356 R HN 0.495 nan 8.270 nan 0.000 0.429 357 F N -0.792 119.293 119.950 0.224 0.000 2.789 357 F HA 0.249 4.777 4.527 0.001 0.000 0.320 357 F C 0.387 176.215 175.800 0.046 0.000 1.079 357 F CA -0.456 57.622 58.000 0.129 0.000 1.205 357 F CB 0.732 39.803 39.000 0.118 0.000 1.046 357 F HN -0.042 nan 8.300 nan 0.000 0.586 358 R N -1.339 119.296 120.500 0.226 0.000 2.753 358 R HA 0.384 4.725 4.340 0.001 0.000 0.272 358 R C -3.355 173.005 176.300 0.099 0.000 1.034 358 R CA -1.877 54.286 56.100 0.105 0.000 0.869 358 R CB 0.042 30.350 30.300 0.013 0.000 1.264 358 R HN -0.356 nan 8.270 nan 0.000 0.481 359 P HA -0.062 nan 4.420 nan 0.000 0.261 359 P C -0.200 177.124 177.300 0.041 0.000 1.173 359 P CA 0.356 63.480 63.100 0.039 0.000 0.760 359 P CB 0.635 32.336 31.700 0.002 0.000 0.783 360 S N 2.169 117.906 115.700 0.062 0.000 2.596 360 S HA 0.120 4.590 4.470 0.001 0.000 0.260 360 S C 0.209 174.836 174.600 0.045 0.000 1.336 360 S CA -0.674 57.578 58.200 0.087 0.000 0.993 360 S CB 0.383 63.655 63.200 0.120 0.000 0.923 360 S HN 0.540 nan 8.310 nan 0.000 0.567 361 E N 0.978 121.228 120.200 0.083 0.000 2.266 361 E HA 0.410 4.760 4.350 0.001 0.000 0.277 361 E C -2.801 173.810 176.600 0.019 0.000 1.018 361 E CA -2.327 54.081 56.400 0.013 0.000 0.840 361 E CB 0.612 30.327 29.700 0.025 0.000 1.082 361 E HN 0.444 nan 8.360 nan 0.000 0.395 362 P HA 0.206 nan 4.420 nan 0.000 0.276 362 P C -0.708 176.454 177.300 -0.230 0.000 1.244 362 P CA -0.292 62.647 63.100 -0.267 0.000 0.801 362 P CB 0.803 31.961 31.700 -0.903 0.000 1.006 363 H N 1.373 120.402 119.070 -0.069 0.000 2.887 363 H HA 0.281 4.838 4.556 0.001 0.000 0.300 363 H C -0.276 175.137 175.328 0.141 0.000 1.038 363 H CA -0.332 55.782 56.048 0.110 0.000 1.352 363 H CB 0.209 30.084 29.762 0.189 0.000 1.473 363 H HN 0.298 nan 8.280 nan 0.000 0.503 364 F N 1.756 121.873 119.950 0.279 0.000 2.410 364 F HA 0.068 4.596 4.527 0.001 0.000 0.334 364 F C 1.694 177.680 175.800 0.310 0.000 1.134 364 F CA -0.282 57.900 58.000 0.303 0.000 1.227 364 F CB 0.883 39.995 39.000 0.188 0.000 1.194 364 F HN 0.345 nan 8.300 nan 0.000 0.571 365 T N -0.370 114.487 114.554 0.505 0.000 2.816 365 T HA 0.265 4.615 4.350 0.001 0.000 0.282 365 T C 1.321 176.209 174.700 0.313 0.000 0.993 365 T CA -0.771 61.557 62.100 0.380 0.000 0.994 365 T CB 0.715 69.792 68.868 0.349 0.000 1.025 365 T HN 0.589 nan 8.240 nan 0.000 0.529 366 L N 0.945 122.308 121.223 0.234 0.000 1.997 366 L HA -0.190 4.151 4.340 0.001 0.000 0.216 366 L C 2.531 179.508 176.870 0.179 0.000 1.074 366 L CA 2.352 57.304 54.840 0.186 0.000 0.763 366 L CB -0.681 41.465 42.059 0.145 0.000 0.890 366 L HN 0.911 nan 8.230 nan 0.000 0.434 367 D N -1.032 119.474 120.400 0.176 0.000 2.371 367 D HA -0.029 4.612 4.640 0.001 0.000 0.221 367 D C 1.469 177.874 176.300 0.174 0.000 0.986 367 D CA 0.831 54.924 54.000 0.156 0.000 0.899 367 D CB -0.303 40.580 40.800 0.138 0.000 0.902 367 D HN 0.363 nan 8.370 nan 0.000 0.530 368 G N 0.377 109.318 108.800 0.236 0.000 2.155 368 G HA2 -0.353 3.607 3.960 0.001 0.000 0.257 368 G HA3 -0.353 3.607 3.960 0.001 0.000 0.257 368 G C 0.908 175.997 174.900 0.314 0.000 0.983 368 G CA 0.410 45.669 45.100 0.264 0.000 0.676 368 G HN 0.369 nan 8.290 nan 0.000 0.528 369 N N 0.097 118.962 118.700 0.275 0.000 2.422 369 N HA 0.154 4.895 4.740 0.001 0.000 0.181 369 N C 1.076 176.720 175.510 0.223 0.000 1.080 369 N CA 1.182 54.368 53.050 0.227 0.000 0.893 369 N CB 0.384 38.961 38.487 0.150 0.000 0.973 369 N HN 0.910 nan 8.380 nan 0.000 0.456 370 S N -0.446 115.417 115.700 0.271 0.000 2.638 370 S HA 0.781 5.252 4.470 0.001 0.000 0.274 370 S C -0.939 173.762 174.600 0.167 0.000 1.157 370 S CA -0.972 57.264 58.200 0.060 0.000 0.826 370 S CB 1.910 65.061 63.200 -0.081 0.000 1.139 370 S HN 0.129 nan 8.310 nan 0.000 0.474 371 F N -2.111 117.702 119.950 -0.227 0.000 2.713 371 F HA 0.800 5.328 4.527 0.001 0.000 0.311 371 F C -2.255 173.358 175.800 -0.312 0.000 1.141 371 F CA -1.568 56.227 58.000 -0.342 0.000 0.939 371 F CB 0.531 38.940 39.000 -0.986 0.000 1.325 371 F HN 0.601 nan 8.300 nan 0.000 0.453 372 Y N 1.231 121.704 120.300 0.289 0.000 2.409 372 Y HA 0.705 5.256 4.550 0.001 0.000 0.339 372 Y C -0.181 175.892 175.900 0.289 0.000 1.033 372 Y CA -0.825 57.420 58.100 0.241 0.000 1.094 372 Y CB 2.120 40.651 38.460 0.118 0.000 1.210 372 Y HN 0.751 nan 8.280 nan 0.000 0.456 373 K N 2.856 123.494 120.400 0.397 0.000 2.542 373 K HA 0.529 4.850 4.320 0.001 0.000 0.259 373 K C -1.829 174.920 176.600 0.247 0.000 0.932 373 K CA -0.564 55.910 56.287 0.312 0.000 0.820 373 K CB 1.627 34.288 32.500 0.267 0.000 1.345 373 K HN 0.725 nan 8.250 nan 0.000 0.432 374 I N 6.087 126.768 120.570 0.185 0.000 2.371 374 I HA 0.318 4.489 4.170 0.001 0.000 0.290 374 I C 0.128 176.340 176.117 0.159 0.000 1.028 374 I CA -0.429 60.962 61.300 0.151 0.000 1.345 374 I CB 0.520 38.584 38.000 0.108 0.000 1.407 374 I HN 0.486 nan 8.210 nan 0.000 0.501 375 I N 2.041 122.731 120.570 0.199 0.000 3.006 375 I HA 0.512 4.683 4.170 0.001 0.000 0.306 375 I C -0.297 175.931 176.117 0.184 0.000 1.250 375 I CA -0.856 60.554 61.300 0.184 0.000 0.996 375 I CB 2.264 40.396 38.000 0.219 0.000 1.261 375 I HN 0.466 nan 8.210 nan 0.000 0.442 376 S N 2.438 118.177 115.700 0.066 0.000 2.548 376 S HA 0.316 4.787 4.470 0.001 0.000 0.277 376 S C -0.076 174.536 174.600 0.020 0.000 1.315 376 S CA -0.755 57.423 58.200 -0.036 0.000 1.050 376 S CB 0.464 63.572 63.200 -0.153 0.000 0.918 376 S HN 0.797 nan 8.310 nan 0.000 0.497 377 N N 1.709 120.305 118.700 -0.174 0.000 2.374 377 N HA 0.146 4.887 4.740 0.001 0.000 0.284 377 N C 0.647 176.057 175.510 -0.167 0.000 1.280 377 N CA -0.657 52.165 53.050 -0.379 0.000 0.963 377 N CB -0.074 37.841 38.487 -0.954 0.000 1.141 377 N HN 0.568 nan 8.380 nan 0.000 0.565 378 E N -0.641 119.468 120.200 -0.152 0.000 2.265 378 E HA -0.133 4.218 4.350 0.001 0.000 0.196 378 E C 0.567 177.118 176.600 -0.081 0.000 0.996 378 E CA 1.014 57.366 56.400 -0.080 0.000 0.832 378 E CB -0.156 29.508 29.700 -0.059 0.000 0.756 378 E HN 0.603 nan 8.360 nan 0.000 0.491 379 E N -0.629 119.519 120.200 -0.085 0.000 2.489 379 E HA 0.109 4.460 4.350 0.001 0.000 0.193 379 E C 1.097 177.686 176.600 -0.018 0.000 1.057 379 E CA 0.611 57.012 56.400 0.002 0.000 0.866 379 E CB 0.298 30.037 29.700 0.064 0.000 0.916 379 E HN 0.334 nan 8.360 nan 0.000 0.500 380 G N -0.250 108.472 108.800 -0.130 0.000 2.157 380 G HA2 -0.295 3.665 3.960 0.001 0.000 0.248 380 G HA3 -0.295 3.665 3.960 0.001 0.000 0.248 380 G C -0.382 174.222 174.900 -0.493 0.000 0.979 380 G CA -0.104 44.810 45.100 -0.310 0.000 0.650 380 G HN 0.234 nan 8.290 nan 0.000 0.529 381 Y N 0.395 120.545 120.300 -0.251 0.000 2.342 381 Y HA 0.639 5.190 4.550 0.001 0.000 0.334 381 Y C 1.180 176.853 175.900 -0.379 0.000 1.067 381 Y CA -0.887 57.027 58.100 -0.311 0.000 1.128 381 Y CB 0.993 39.278 38.460 -0.291 0.000 1.200 381 Y HN 0.070 nan 8.280 nan 0.000 0.464 382 R N 3.844 124.147 120.500 -0.327 0.000 2.296 382 R HA 0.252 4.593 4.340 0.001 0.000 0.323 382 R C -0.742 175.248 176.300 -0.516 0.000 1.067 382 R CA -0.036 55.897 56.100 -0.278 0.000 0.946 382 R CB 0.045 30.251 30.300 -0.157 0.000 0.991 382 R HN 0.658 nan 8.270 nan 0.000 0.448 383 H N 1.705 120.727 119.070 -0.079 0.000 2.949 383 H HA 0.346 4.902 4.556 0.001 0.000 0.356 383 H C -0.067 175.325 175.328 0.108 0.000 1.212 383 H CA -0.968 55.017 56.048 -0.105 0.000 1.136 383 H CB 1.597 31.181 29.762 -0.297 0.000 1.869 383 H HN 0.315 nan 8.280 nan 0.000 0.556 384 I N 1.401 122.063 120.570 0.154 0.000 2.396 384 I HA 0.040 4.211 4.170 0.001 0.000 0.289 384 I C 0.377 176.535 176.117 0.068 0.000 1.056 384 I CA 0.093 61.444 61.300 0.084 0.000 1.365 384 I CB 0.312 38.264 38.000 -0.079 0.000 1.407 384 I HN 0.139 nan 8.210 nan 0.000 0.509 385 c N 7.402 125.965 118.600 -0.060 0.000 2.376 385 c HA 0.433 5.004 4.570 0.001 0.000 0.335 385 c C -0.359 173.570 174.090 -0.270 0.000 1.229 385 c CA -0.441 55.591 56.329 -0.495 0.000 1.867 385 c CB 0.994 42.902 42.510 -1.003 0.000 2.319 385 c HN 0.630 nan 8.230 nan 0.000 0.515 386 Y N 4.618 124.570 120.300 -0.581 0.000 2.335 386 Y HA 0.660 5.211 4.550 0.001 0.000 0.339 386 Y C -1.022 174.429 175.900 -0.749 0.000 0.987 386 Y CA -1.137 56.594 58.100 -0.615 0.000 1.140 386 Y CB 0.252 38.453 38.460 -0.432 0.000 1.173 386 Y HN 0.636 nan 8.280 nan 0.000 0.486 387 F N 3.558 122.787 119.950 -1.201 0.000 2.507 387 F HA 0.479 5.007 4.527 0.001 0.000 0.327 387 F C -0.180 174.861 175.800 -1.265 0.000 1.068 387 F CA -1.084 56.127 58.000 -1.314 0.000 0.965 387 F CB 1.648 39.505 39.000 -1.905 0.000 1.192 387 F HN 0.263 nan 8.300 nan 0.000 0.476 388 Q N 1.912 121.364 119.800 -0.581 0.000 2.293 388 Q HA 0.343 4.684 4.340 0.001 0.000 0.261 388 Q C 0.908 176.869 176.000 -0.066 0.000 0.960 388 Q CA -0.310 55.291 55.803 -0.335 0.000 0.882 388 Q CB 1.566 30.164 28.738 -0.233 0.000 1.275 388 Q HN 0.698 nan 8.270 nan 0.000 0.445 389 I N -0.509 120.125 120.570 0.106 0.000 2.423 389 I HA -0.149 4.022 4.170 0.001 0.000 0.254 389 I C 0.280 176.612 176.117 0.359 0.000 1.151 389 I CA 1.457 62.983 61.300 0.377 0.000 1.421 389 I CB 0.033 38.259 38.000 0.378 0.000 1.079 389 I HN 0.435 nan 8.210 nan 0.000 0.431 390 D N 0.560 121.062 120.400 0.169 0.000 2.892 390 D HA 0.327 4.968 4.640 0.001 0.000 0.291 390 D C -0.328 176.002 176.300 0.049 0.000 1.341 390 D CA -0.385 53.664 54.000 0.083 0.000 0.844 390 D CB 0.324 41.153 40.800 0.048 0.000 1.093 390 D HN 0.180 nan 8.370 nan 0.000 0.480 391 K N 0.110 120.573 120.400 0.105 0.000 2.482 391 K HA 0.295 4.616 4.320 0.001 0.000 0.251 391 K C 0.632 177.306 176.600 0.123 0.000 0.936 391 K CA -0.675 55.640 56.287 0.047 0.000 0.791 391 K CB 2.691 35.171 32.500 -0.033 0.000 1.213 391 K HN -0.129 nan 8.250 nan 0.000 0.428 392 K N 1.233 121.658 120.400 0.042 0.000 2.062 392 K HA 0.007 4.328 4.320 0.001 0.000 0.205 392 K C -0.463 176.157 176.600 0.032 0.000 1.051 392 K CA 1.236 57.559 56.287 0.061 0.000 0.941 392 K CB 0.284 32.786 32.500 0.004 0.000 0.719 392 K HN 0.576 nan 8.250 nan 0.000 0.440 393 D N 1.226 121.589 120.400 -0.063 0.000 2.225 393 D HA 0.082 4.723 4.640 0.001 0.000 0.248 393 D C -0.063 176.039 176.300 -0.331 0.000 1.096 393 D CA -0.286 53.616 54.000 -0.163 0.000 0.863 393 D CB 1.221 41.940 40.800 -0.135 0.000 1.156 393 D HN 0.320 nan 8.370 nan 0.000 0.450 394 c N 0.616 118.868 118.600 -0.580 0.000 2.345 394 c HA 0.820 5.391 4.570 0.001 0.000 0.370 394 c C 0.236 173.918 174.090 -0.679 0.000 1.209 394 c CA -0.561 55.196 56.329 -0.954 0.000 2.133 394 c CB 1.017 42.289 42.510 -2.063 0.000 2.293 394 c HN 0.486 nan 8.230 nan 0.000 0.544 395 T N 1.813 116.007 114.554 -0.600 0.000 2.809 395 T HA 0.468 4.818 4.350 0.001 0.000 0.284 395 T C -0.747 173.732 174.700 -0.369 0.000 0.992 395 T CA 0.114 62.013 62.100 -0.335 0.000 0.957 395 T CB 0.446 69.265 68.868 -0.081 0.000 0.942 395 T HN 0.484 nan 8.240 nan 0.000 0.439 396 F N 3.381 123.217 119.950 -0.190 0.000 2.504 396 F HA 0.244 4.772 4.527 0.001 0.000 0.369 396 F C 1.650 177.287 175.800 -0.272 0.000 1.082 396 F CA -0.929 56.942 58.000 -0.215 0.000 1.216 396 F CB 0.369 39.243 39.000 -0.209 0.000 1.108 396 F HN 0.586 nan 8.300 nan 0.000 0.554 397 I N -0.488 119.954 120.570 -0.214 0.000 3.941 397 I HA 0.214 4.385 4.170 0.001 0.000 0.321 397 I C 0.267 176.184 176.117 -0.334 0.000 1.284 397 I CA 0.138 61.083 61.300 -0.591 0.000 1.226 397 I CB 0.006 37.400 38.000 -1.011 0.000 1.045 397 I HN 0.481 nan 8.210 nan 0.000 0.420 398 T N 0.204 114.624 114.554 -0.223 0.000 2.906 398 T HA 0.693 5.044 4.350 0.001 0.000 0.295 398 T C -0.692 173.613 174.700 -0.657 0.000 1.061 398 T CA -0.691 61.254 62.100 -0.258 0.000 1.000 398 T CB 2.770 71.543 68.868 -0.158 0.000 1.103 398 T HN 0.366 nan 8.240 nan 0.000 0.486 399 K N 0.153 120.024 120.400 -0.882 0.000 2.615 399 K HA 0.781 5.102 4.320 0.001 0.000 0.291 399 K C -0.396 175.568 176.600 -1.060 0.000 1.017 399 K CA -0.474 54.993 56.287 -1.366 0.000 0.882 399 K CB 1.394 33.480 32.500 -0.689 0.000 1.522 399 K HN 1.844 nan 8.250 nan 0.000 0.412 400 G N -0.148 108.070 108.800 -0.970 0.000 2.347 400 G HA2 0.067 4.028 3.960 0.001 0.000 0.477 400 G HA3 0.067 4.028 3.960 0.001 0.000 0.477 400 G C -0.823 173.537 174.900 -0.900 0.000 1.349 400 G CA -0.212 44.483 45.100 -0.675 0.000 1.000 400 G HN 1.103 nan 8.290 nan 0.000 0.605 401 T N -0.351 113.817 114.554 -0.644 0.000 4.098 401 T HA 0.569 4.920 4.350 0.001 0.000 0.291 401 T C 0.216 174.766 174.700 -0.250 0.000 1.440 401 T CA 0.614 62.158 62.100 -0.927 0.000 1.164 401 T CB -0.956 67.602 68.868 -0.517 0.000 1.313 401 T HN 1.606 nan 8.240 nan 0.000 0.951 402 W N -0.225 120.965 121.300 -0.185 0.000 2.926 402 W HA 0.594 5.255 4.660 0.001 0.000 0.361 402 W C -1.570 174.958 176.519 0.015 0.000 1.195 402 W CA -0.959 56.401 57.345 0.025 0.000 1.177 402 W CB 0.523 29.980 29.460 -0.006 0.000 1.453 402 W HN 0.242 nan 8.180 nan 0.000 0.571 403 E N 0.700 121.112 120.200 0.354 0.000 2.343 403 E HA 0.474 4.824 4.350 0.001 0.000 0.270 403 E C -1.216 175.543 176.600 0.266 0.000 0.895 403 E CA -1.193 55.222 56.400 0.024 0.000 0.767 403 E CB 3.340 33.051 29.700 0.019 0.000 1.248 403 E HN 0.160 nan 8.360 nan 0.000 0.440 404 V N 3.598 123.541 119.914 0.049 0.000 2.488 404 V HA 0.014 4.135 4.120 0.001 0.000 0.277 404 V C 1.214 177.412 176.094 0.173 0.000 1.046 404 V CA -0.086 62.329 62.300 0.192 0.000 0.986 404 V CB 0.616 32.441 31.823 0.002 0.000 0.989 404 V HN 0.688 nan 8.190 nan 0.000 0.475 405 I N 3.318 124.017 120.570 0.215 0.000 2.277 405 I HA 0.194 4.365 4.170 0.001 0.000 0.243 405 I C 1.150 177.380 176.117 0.188 0.000 1.094 405 I CA 1.363 62.775 61.300 0.187 0.000 1.393 405 I CB -0.896 37.156 38.000 0.088 0.000 1.078 405 I HN 0.749 nan 8.210 nan 0.000 0.417 406 G N 0.247 109.158 108.800 0.185 0.000 2.601 406 G HA2 0.552 4.513 3.960 0.001 0.000 0.291 406 G HA3 0.552 4.513 3.960 0.001 0.000 0.291 406 G C -1.302 173.680 174.900 0.137 0.000 1.456 406 G CA -0.572 44.625 45.100 0.162 0.000 0.804 406 G HN -0.032 nan 8.290 nan 0.000 0.499 407 I N 1.352 121.929 120.570 0.012 0.000 2.342 407 I HA 0.266 4.437 4.170 0.001 0.000 0.291 407 I C 0.636 176.704 176.117 -0.082 0.000 1.010 407 I CA -0.524 60.682 61.300 -0.156 0.000 1.308 407 I CB 1.768 39.375 38.000 -0.656 0.000 1.400 407 I HN 0.507 nan 8.210 nan 0.000 0.488 408 E N 4.844 125.052 120.200 0.014 0.000 2.372 408 E HA 0.346 4.697 4.350 0.001 0.000 0.201 408 E C 0.065 176.608 176.600 -0.095 0.000 0.938 408 E CA 0.195 56.642 56.400 0.079 0.000 0.944 408 E CB 0.973 30.802 29.700 0.215 0.000 0.937 408 E HN 0.662 nan 8.360 nan 0.000 0.495 409 A N 0.709 123.379 122.820 -0.250 0.000 2.605 409 A HA 0.607 4.928 4.320 0.001 0.000 0.294 409 A C -1.980 175.536 177.584 -0.114 0.000 1.062 409 A CA -0.628 51.178 52.037 -0.384 0.000 0.682 409 A CB 1.312 19.488 19.000 -1.374 0.000 1.278 409 A HN 0.039 nan 8.150 nan 0.000 0.410 410 L N 1.396 122.596 121.223 -0.038 0.000 2.436 410 L HA 0.866 5.207 4.340 0.001 0.000 0.268 410 L C 0.070 176.973 176.870 0.055 0.000 0.974 410 L CA 0.545 55.393 54.840 0.014 0.000 0.826 410 L CB 2.214 44.312 42.059 0.065 0.000 1.291 410 L HN 1.275 nan 8.230 nan 0.000 0.406 411 T N -0.552 114.042 114.554 0.068 0.000 2.831 411 T HA 0.407 4.758 4.350 0.001 0.000 0.287 411 T C 0.889 175.622 174.700 0.055 0.000 1.070 411 T CA 0.068 62.220 62.100 0.088 0.000 1.010 411 T CB 1.176 70.129 68.868 0.142 0.000 1.264 411 T HN 0.653 nan 8.240 nan 0.000 0.532 412 S N -0.541 115.193 115.700 0.056 0.000 2.474 412 S HA -0.054 4.417 4.470 0.001 0.000 0.235 412 S C 0.775 175.349 174.600 -0.044 0.000 0.997 412 S CA 0.971 59.189 58.200 0.030 0.000 0.949 412 S CB -0.482 62.742 63.200 0.041 0.000 0.766 412 S HN 0.700 nan 8.310 nan 0.000 0.517 413 D N -0.771 119.584 120.400 -0.075 0.000 2.431 413 D HA 0.250 4.890 4.640 0.001 0.000 0.227 413 D C -0.482 175.483 176.300 -0.558 0.000 1.030 413 D CA 0.563 54.386 54.000 -0.294 0.000 0.897 413 D CB 0.324 40.960 40.800 -0.274 0.000 1.058 413 D HN 0.431 nan 8.370 nan 0.000 0.500 414 Y N -0.034 120.180 120.300 -0.143 0.000 2.545 414 Y HA 0.491 5.041 4.550 0.001 0.000 0.348 414 Y C -0.545 175.130 175.900 -0.375 0.000 1.002 414 Y CA -0.992 56.922 58.100 -0.309 0.000 1.039 414 Y CB 2.507 40.655 38.460 -0.520 0.000 1.271 414 Y HN -0.278 nan 8.280 nan 0.000 0.467 415 L N 2.632 123.694 121.223 -0.269 0.000 2.341 415 L HA 0.593 4.934 4.340 0.001 0.000 0.278 415 L C -1.809 174.892 176.870 -0.281 0.000 1.005 415 L CA -0.628 54.041 54.840 -0.285 0.000 0.818 415 L CB 0.892 42.703 42.059 -0.414 0.000 1.259 415 L HN 0.616 nan 8.230 nan 0.000 0.418 416 Y N 4.858 125.073 120.300 -0.142 0.000 2.341 416 Y HA 0.533 5.083 4.550 0.001 0.000 0.337 416 Y C -0.440 175.455 175.900 -0.009 0.000 1.014 416 Y CA -0.287 57.725 58.100 -0.146 0.000 1.111 416 Y CB 1.311 39.544 38.460 -0.379 0.000 1.194 416 Y HN 0.534 nan 8.280 nan 0.000 0.462 417 Y N 0.156 120.507 120.300 0.085 0.000 2.625 417 Y HA 0.811 5.362 4.550 0.001 0.000 0.338 417 Y C -1.836 174.149 175.900 0.141 0.000 1.123 417 Y CA -1.993 56.154 58.100 0.078 0.000 1.046 417 Y CB 1.136 39.616 38.460 0.033 0.000 1.299 417 Y HN 0.418 nan 8.280 nan 0.000 0.464 418 I N 2.863 123.583 120.570 0.250 0.000 2.441 418 I HA 0.655 4.825 4.170 0.001 0.000 0.295 418 I C -0.391 175.912 176.117 0.310 0.000 0.994 418 I CA -0.456 60.942 61.300 0.164 0.000 1.144 418 I CB 2.030 40.082 38.000 0.088 0.000 1.314 418 I HN 0.885 nan 8.210 nan 0.000 0.445 419 S N 3.094 118.954 115.700 0.266 0.000 2.671 419 S HA 0.437 4.908 4.470 0.001 0.000 0.277 419 S C -0.622 174.056 174.600 0.130 0.000 1.165 419 S CA -0.861 57.498 58.200 0.264 0.000 0.822 419 S CB 1.709 65.089 63.200 0.301 0.000 1.150 419 S HN 0.641 nan 8.310 nan 0.000 0.479 420 N N -0.476 118.297 118.700 0.122 0.000 2.389 420 N HA 0.164 4.905 4.740 0.001 0.000 0.260 420 N C 0.436 175.944 175.510 -0.004 0.000 1.191 420 N CA -0.340 52.734 53.050 0.040 0.000 0.885 420 N CB 0.367 38.865 38.487 0.018 0.000 1.162 420 N HN 0.822 nan 8.380 nan 0.000 0.512 421 E N -0.134 119.935 120.200 -0.217 0.000 2.072 421 E HA -0.174 4.177 4.350 0.001 0.000 0.190 421 E C -0.324 176.144 176.600 -0.220 0.000 0.982 421 E CA 0.173 56.202 56.400 -0.617 0.000 0.803 421 E CB -0.079 28.646 29.700 -1.625 0.000 0.755 421 E HN 0.365 nan 8.360 nan 0.000 0.453 422 Y N 2.183 122.403 120.300 -0.134 0.000 2.881 422 Y HA -0.174 4.377 4.550 0.001 0.000 0.335 422 Y C 0.452 176.315 175.900 -0.062 0.000 1.263 422 Y CA 0.977 59.039 58.100 -0.063 0.000 1.572 422 Y CB 0.070 38.513 38.460 -0.028 0.000 1.237 422 Y HN 0.121 nan 8.280 nan 0.000 0.568 423 K N 3.304 123.388 120.400 -0.527 0.000 3.104 423 K HA -0.264 4.057 4.320 0.001 0.000 0.285 423 K C 0.887 177.398 176.600 -0.148 0.000 1.136 423 K CA 0.851 56.897 56.287 -0.401 0.000 0.842 423 K CB -1.729 30.472 32.500 -0.499 0.000 1.217 423 K HN 1.277 nan 8.250 nan 0.000 0.467 424 G N 0.644 109.380 108.800 -0.107 0.000 2.258 424 G HA2 -0.335 3.625 3.960 0.001 0.000 0.274 424 G HA3 -0.335 3.625 3.960 0.001 0.000 0.274 424 G C 0.034 174.905 174.900 -0.049 0.000 1.021 424 G CA 0.862 45.947 45.100 -0.025 0.000 0.798 424 G HN 0.345 nan 8.290 nan 0.000 0.507 425 M N 0.984 120.490 119.600 -0.155 0.000 2.094 425 M HA 0.223 4.704 4.480 0.001 0.000 0.348 425 M C -0.744 175.330 176.300 -0.376 0.000 1.267 425 M CA -1.935 53.121 55.300 -0.407 0.000 1.125 425 M CB 1.446 33.853 32.600 -0.323 0.000 1.527 425 M HN -0.046 nan 8.290 nan 0.000 0.447 426 P HA -0.088 nan 4.420 nan 0.000 0.225 426 P C 0.945 178.117 177.300 -0.215 0.000 1.148 426 P CA 1.192 64.140 63.100 -0.252 0.000 0.779 426 P CB 0.154 31.724 31.700 -0.216 0.000 0.780 427 G N -0.664 107.935 108.800 -0.335 0.000 3.284 427 G HA2 0.323 4.284 3.960 0.001 0.000 0.236 427 G HA3 0.323 4.284 3.960 0.001 0.000 0.236 427 G C 0.632 175.534 174.900 0.004 0.000 1.158 427 G CA 0.066 45.090 45.100 -0.127 0.000 0.774 427 G HN 0.431 nan 8.290 nan 0.000 0.545 428 G N -0.141 108.613 108.800 -0.077 0.000 2.454 428 G HA2 0.658 4.619 3.960 0.001 0.000 0.329 428 G HA3 0.658 4.619 3.960 0.001 0.000 0.329 428 G C -0.866 173.941 174.900 -0.155 0.000 1.177 428 G CA -0.780 44.310 45.100 -0.016 0.000 0.951 428 G HN 0.086 nan 8.290 nan 0.000 0.485 429 R N 1.093 121.454 120.500 -0.232 0.000 2.564 429 R HA 0.434 4.775 4.340 0.001 0.000 0.284 429 R C -1.279 174.978 176.300 -0.072 0.000 1.031 429 R CA -0.803 55.123 56.100 -0.291 0.000 0.904 429 R CB 2.208 32.066 30.300 -0.736 0.000 1.199 429 R HN 0.609 nan 8.270 nan 0.000 0.443 430 N N 1.556 120.230 118.700 -0.044 0.000 2.416 430 N HA 0.327 5.067 4.740 0.001 0.000 0.276 430 N C -1.347 174.010 175.510 -0.255 0.000 1.261 430 N CA -0.828 52.115 53.050 -0.177 0.000 0.790 430 N CB 2.721 40.975 38.487 -0.387 0.000 1.554 430 N HN 0.259 nan 8.380 nan 0.000 0.481 431 L N 2.006 122.953 121.223 -0.461 0.000 2.276 431 L HA 0.488 4.828 4.340 0.001 0.000 0.286 431 L C -1.434 175.063 176.870 -0.622 0.000 1.061 431 L CA 0.042 54.641 54.840 -0.402 0.000 0.807 431 L CB -0.128 41.705 42.059 -0.377 0.000 1.177 431 L HN 0.415 nan 8.230 nan 0.000 0.429 432 Y N 3.457 123.401 120.300 -0.592 0.000 2.602 432 Y HA 0.668 5.219 4.550 0.001 0.000 0.342 432 Y C -0.436 175.108 175.900 -0.594 0.000 1.029 432 Y CA -0.853 56.849 58.100 -0.663 0.000 1.080 432 Y CB 1.692 39.572 38.460 -0.967 0.000 1.284 432 Y HN 0.572 nan 8.280 nan 0.000 0.485 433 K N 1.476 121.731 120.400 -0.242 0.000 2.464 433 K HA 0.778 5.098 4.320 0.001 0.000 0.253 433 K C -1.970 174.608 176.600 -0.037 0.000 0.933 433 K CA -0.752 55.340 56.287 -0.325 0.000 0.801 433 K CB 2.860 34.947 32.500 -0.689 0.000 1.271 433 K HN 0.751 nan 8.250 nan 0.000 0.430 434 I N 1.615 122.224 120.570 0.065 0.000 2.498 434 I HA 0.188 4.359 4.170 0.001 0.000 0.290 434 I C -0.890 175.299 176.117 0.120 0.000 1.032 434 I CA -0.778 60.613 61.300 0.153 0.000 1.073 434 I CB 2.209 40.307 38.000 0.163 0.000 1.251 434 I HN 0.831 nan 8.210 nan 0.000 0.426 435 Q N 6.028 125.881 119.800 0.089 0.000 2.286 435 Q HA 0.207 4.547 4.340 0.001 0.000 0.267 435 Q C 0.457 176.390 176.000 -0.112 0.000 1.028 435 Q CA -0.151 55.520 55.803 -0.221 0.000 0.901 435 Q CB 1.141 29.788 28.738 -0.152 0.000 1.183 435 Q HN 0.801 nan 8.270 nan 0.000 0.392 436 L N 2.278 123.376 121.223 -0.208 0.000 2.201 436 L HA -0.162 4.179 4.340 0.001 0.000 0.212 436 L C 2.155 178.956 176.870 -0.116 0.000 1.105 436 L CA 1.201 56.014 54.840 -0.046 0.000 0.775 436 L CB -0.374 41.613 42.059 -0.120 0.000 0.913 436 L HN 0.650 nan 8.230 nan 0.000 0.440 437 S N -2.472 113.108 115.700 -0.199 0.000 2.527 437 S HA -0.040 4.430 4.470 0.001 0.000 0.222 437 S C 0.547 174.983 174.600 -0.272 0.000 0.985 437 S CA 0.074 58.142 58.200 -0.220 0.000 0.921 437 S CB 0.080 63.178 63.200 -0.169 0.000 0.772 437 S HN 0.364 nan 8.310 nan 0.000 0.529 438 D N -0.135 120.120 120.400 -0.240 0.000 2.351 438 D HA 0.198 4.839 4.640 0.001 0.000 0.235 438 D C -0.531 175.745 176.300 -0.039 0.000 1.331 438 D CA -0.555 53.327 54.000 -0.197 0.000 0.959 438 D CB 0.159 40.895 40.800 -0.106 0.000 1.432 438 D HN -0.014 nan 8.370 nan 0.000 0.544 439 Y N 0.902 121.178 120.300 -0.041 0.000 2.569 439 Y HA -0.098 4.453 4.550 0.001 0.000 0.293 439 Y C 2.560 178.459 175.900 -0.002 0.000 1.144 439 Y CA 1.373 59.458 58.100 -0.024 0.000 1.321 439 Y CB -1.018 37.428 38.460 -0.023 0.000 0.982 439 Y HN 0.421 nan 8.280 nan 0.000 0.558 440 T N -2.627 112.000 114.554 0.122 0.000 3.085 440 T HA -0.013 4.337 4.350 0.001 0.000 0.263 440 T C 0.729 175.475 174.700 0.077 0.000 1.127 440 T CA 0.152 62.301 62.100 0.082 0.000 1.103 440 T CB -0.196 68.696 68.868 0.040 0.000 0.921 440 T HN 0.116 nan 8.240 nan 0.000 0.510 441 K N 1.870 122.319 120.400 0.081 0.000 2.231 441 K HA 0.501 4.822 4.320 0.001 0.000 0.255 441 K C -1.360 175.309 176.600 0.114 0.000 1.108 441 K CA -0.366 55.971 56.287 0.083 0.000 0.997 441 K CB 1.206 33.747 32.500 0.068 0.000 1.549 441 K HN 0.115 nan 8.250 nan 0.000 0.419 442 V N 2.620 122.600 119.914 0.110 0.000 2.384 442 V HA 0.247 4.367 4.120 0.001 0.000 0.287 442 V C -0.142 176.015 176.094 0.105 0.000 1.020 442 V CA -0.633 61.745 62.300 0.130 0.000 0.850 442 V CB 1.852 33.763 31.823 0.146 0.000 0.987 442 V HN 0.591 nan 8.190 nan 0.000 0.436 443 T N 3.752 118.347 114.554 0.069 0.000 2.779 443 T HA 0.256 4.606 4.350 0.001 0.000 0.280 443 T C -0.342 174.309 174.700 -0.081 0.000 0.987 443 T CA -0.267 61.828 62.100 -0.008 0.000 0.966 443 T CB 1.204 70.031 68.868 -0.068 0.000 0.933 443 T HN 0.752 nan 8.240 nan 0.000 0.442 444 C N 5.091 124.283 119.300 -0.179 0.000 2.415 444 C HA 0.445 4.906 4.460 0.001 0.000 0.369 444 C C 1.598 176.294 174.990 -0.490 0.000 1.279 444 C CA -0.562 58.105 59.018 -0.585 0.000 1.886 444 C CB -1.609 25.684 27.740 -0.744 0.000 2.468 444 C HN 0.996 nan 8.230 nan 0.000 0.553 445 L N 4.571 125.461 121.223 -0.555 0.000 2.513 445 L HA 0.106 4.447 4.340 0.001 0.000 0.222 445 L C 2.132 178.695 176.870 -0.513 0.000 1.096 445 L CA 0.793 55.381 54.840 -0.420 0.000 0.857 445 L CB -0.229 41.626 42.059 -0.341 0.000 1.026 445 L HN 0.878 nan 8.230 nan 0.000 0.469 446 S N -2.853 112.421 115.700 -0.709 0.000 2.554 446 S HA -0.022 4.448 4.470 0.001 0.000 0.227 446 S C 1.898 176.103 174.600 -0.659 0.000 1.050 446 S CA -0.010 57.657 58.200 -0.888 0.000 0.927 446 S CB -0.331 61.904 63.200 -1.609 0.000 0.859 446 S HN 0.292 nan 8.310 nan 0.000 0.494 447 C N 2.203 121.085 119.300 -0.696 0.000 2.363 447 C HA -0.087 4.373 4.460 0.001 0.000 0.274 447 C C 2.535 177.237 174.990 -0.481 0.000 1.183 447 C CA 1.703 60.234 59.018 -0.812 0.000 1.771 447 C CB -1.150 25.845 27.740 -1.243 0.000 2.059 447 C HN 0.612 nan 8.230 nan 0.000 0.455 448 E N -0.134 119.862 120.200 -0.339 0.000 2.474 448 E HA 0.181 4.532 4.350 0.001 0.000 0.195 448 E C 1.890 178.437 176.600 -0.089 0.000 1.039 448 E CA -0.072 56.234 56.400 -0.157 0.000 0.881 448 E CB -0.247 29.380 29.700 -0.123 0.000 0.970 448 E HN 0.559 nan 8.360 nan 0.000 0.486 449 L N 0.263 121.425 121.223 -0.101 0.000 2.013 449 L HA -0.146 4.195 4.340 0.001 0.000 0.212 449 L C 0.959 177.839 176.870 0.017 0.000 1.073 449 L CA 1.085 55.908 54.840 -0.029 0.000 0.753 449 L CB -0.083 41.974 42.059 -0.005 0.000 0.890 449 L HN 0.136 nan 8.230 nan 0.000 0.432 450 N N -1.587 117.141 118.700 0.048 0.000 2.946 450 N HA 0.085 4.826 4.740 0.001 0.000 0.213 450 N C -2.105 173.435 175.510 0.050 0.000 1.440 450 N CA -0.908 52.165 53.050 0.039 0.000 0.745 450 N CB 0.817 39.323 38.487 0.032 0.000 1.471 450 N HN -0.170 nan 8.380 nan 0.000 0.569 451 P HA -0.137 nan 4.420 nan 0.000 0.218 451 P C 0.758 178.100 177.300 0.070 0.000 1.148 451 P CA 1.229 64.383 63.100 0.090 0.000 0.822 451 P CB 0.723 32.494 31.700 0.119 0.000 0.784 452 E N -0.494 119.729 120.200 0.039 0.000 2.107 452 E HA -0.113 4.238 4.350 0.001 0.000 0.191 452 E C 2.394 178.995 176.600 0.001 0.000 0.982 452 E CA 0.582 56.995 56.400 0.022 0.000 0.809 452 E CB -0.116 29.591 29.700 0.012 0.000 0.756 452 E HN 0.193 nan 8.360 nan 0.000 0.459 453 R N -0.263 120.228 120.500 -0.015 0.000 2.189 453 R HA 0.090 4.431 4.340 0.001 0.000 0.203 453 R C -0.134 176.117 176.300 -0.082 0.000 1.012 453 R CA 0.428 56.498 56.100 -0.051 0.000 1.015 453 R CB 0.503 30.764 30.300 -0.065 0.000 0.938 453 R HN 0.046 nan 8.270 nan 0.000 0.472 454 c N 0.988 119.546 118.600 -0.071 0.000 2.316 454 c HA 0.422 4.993 4.570 0.001 0.000 0.324 454 c C 0.066 174.105 174.090 -0.085 0.000 1.226 454 c CA -0.649 55.569 56.329 -0.185 0.000 1.450 454 c CB 1.382 43.727 42.510 -0.275 0.000 2.123 454 c HN 0.527 nan 8.230 nan 0.000 0.454 455 Q N 0.450 120.196 119.800 -0.090 0.000 2.113 455 Q HA 0.197 4.537 4.340 0.001 0.000 0.225 455 Q C -0.956 175.085 176.000 0.068 0.000 0.786 455 Q CA 0.124 55.959 55.803 0.053 0.000 0.989 455 Q CB 1.256 30.047 28.738 0.088 0.000 1.174 455 Q HN 0.802 nan 8.270 nan 0.000 0.470 456 Y N 0.461 120.620 120.300 -0.235 0.000 2.445 456 Y HA 0.352 4.903 4.550 0.001 0.000 0.332 456 Y C -1.539 174.193 175.900 -0.280 0.000 1.037 456 Y CA -1.013 56.986 58.100 -0.168 0.000 1.296 456 Y CB 0.620 39.001 38.460 -0.131 0.000 1.099 456 Y HN -0.078 nan 8.280 nan 0.000 0.496 457 Y N 1.784 122.014 120.300 -0.116 0.000 2.534 457 Y HA 0.688 5.239 4.550 0.001 0.000 0.329 457 Y C 0.368 176.210 175.900 -0.097 0.000 1.154 457 Y CA -0.518 57.525 58.100 -0.096 0.000 1.192 457 Y CB 2.220 40.593 38.460 -0.146 0.000 1.275 457 Y HN 0.413 nan 8.280 nan 0.000 0.491 458 S N 0.469 116.257 115.700 0.148 0.000 2.588 458 S HA 0.806 5.276 4.470 0.001 0.000 0.275 458 S C -1.931 172.737 174.600 0.114 0.000 1.130 458 S CA -0.597 57.670 58.200 0.111 0.000 0.855 458 S CB 1.538 64.810 63.200 0.120 0.000 1.116 458 S HN 0.528 nan 8.310 nan 0.000 0.472 459 V N 1.809 121.792 119.914 0.115 0.000 3.114 459 V HA 0.891 5.012 4.120 0.001 0.000 0.308 459 V C -1.146 175.040 176.094 0.153 0.000 1.168 459 V CA -0.283 62.066 62.300 0.082 0.000 1.015 459 V CB 2.402 34.216 31.823 -0.016 0.000 1.050 459 V HN 0.848 nan 8.190 nan 0.000 0.433 460 S N 4.158 119.942 115.700 0.140 0.000 2.775 460 S HA 0.641 5.112 4.470 0.001 0.000 0.277 460 S C -1.202 173.581 174.600 0.305 0.000 1.156 460 S CA -0.377 58.008 58.200 0.309 0.000 1.081 460 S CB 0.306 63.731 63.200 0.374 0.000 1.054 460 S HN 0.488 nan 8.310 nan 0.000 0.482 461 F N 2.958 122.975 119.950 0.111 0.000 2.371 461 F HA 0.445 4.973 4.527 0.001 0.000 0.329 461 F C 1.466 176.843 175.800 -0.705 0.000 1.107 461 F CA -0.200 57.692 58.000 -0.181 0.000 1.137 461 F CB 1.200 40.069 39.000 -0.217 0.000 1.214 461 F HN 0.594 nan 8.300 nan 0.000 0.536 462 S N 1.868 116.963 115.700 -1.009 0.000 2.626 462 S HA 0.188 4.659 4.470 0.001 0.000 0.257 462 S C 1.244 175.615 174.600 -0.382 0.000 1.288 462 S CA -0.821 56.592 58.200 -1.310 0.000 0.980 462 S CB 0.751 63.240 63.200 -1.184 0.000 0.975 462 S HN 0.515 nan 8.310 nan 0.000 0.577 463 K N 0.987 121.285 120.400 -0.170 0.000 2.032 463 K HA -0.131 4.190 4.320 0.001 0.000 0.218 463 K C 1.332 177.915 176.600 -0.027 0.000 1.054 463 K CA 1.754 58.028 56.287 -0.021 0.000 0.941 463 K CB -0.669 31.858 32.500 0.044 0.000 0.720 463 K HN 0.684 nan 8.250 nan 0.000 0.449 464 E N -0.757 119.407 120.200 -0.060 0.000 2.444 464 E HA 0.233 4.583 4.350 0.001 0.000 0.191 464 E C 0.172 176.733 176.600 -0.065 0.000 1.041 464 E CA 0.298 56.675 56.400 -0.038 0.000 0.883 464 E CB 0.307 29.992 29.700 -0.025 0.000 1.024 464 E HN 0.286 nan 8.360 nan 0.000 0.470 465 A N 1.095 123.860 122.820 -0.092 0.000 2.925 465 A HA -0.316 4.005 4.320 0.001 0.000 0.265 465 A C 1.464 179.015 177.584 -0.056 0.000 1.419 465 A CA 1.526 53.535 52.037 -0.046 0.000 0.807 465 A CB -2.246 16.629 19.000 -0.207 0.000 1.043 465 A HN 0.275 nan 8.150 nan 0.000 0.600 466 K N -1.663 118.636 120.400 -0.169 0.000 2.155 466 K HA 0.131 4.452 4.320 0.001 0.000 0.203 466 K C 0.138 176.393 176.600 -0.575 0.000 1.052 466 K CA 1.467 57.544 56.287 -0.349 0.000 0.948 466 K CB -0.005 32.246 32.500 -0.414 0.000 0.728 466 K HN 0.689 nan 8.250 nan 0.000 0.448 467 Y N -0.942 119.253 120.300 -0.176 0.000 2.581 467 Y HA 0.327 4.877 4.550 0.001 0.000 0.345 467 Y C -1.035 174.751 175.900 -0.190 0.000 1.036 467 Y CA -1.369 56.632 58.100 -0.166 0.000 1.042 467 Y CB 1.715 40.095 38.460 -0.133 0.000 1.289 467 Y HN -0.050 nan 8.280 nan 0.000 0.471 468 Y N -0.963 119.275 120.300 -0.104 0.000 2.534 468 Y HA 0.552 5.103 4.550 0.001 0.000 0.345 468 Y C -1.198 174.706 175.900 0.007 0.000 1.031 468 Y CA -1.522 56.368 58.100 -0.351 0.000 1.022 468 Y CB 1.517 39.204 38.460 -1.288 0.000 1.292 468 Y HN 0.592 nan 8.280 nan 0.000 0.459 469 Q N 3.639 123.565 119.800 0.210 0.000 2.290 469 Q HA 0.563 4.904 4.340 0.001 0.000 0.259 469 Q C -1.817 174.268 176.000 0.143 0.000 0.941 469 Q CA -0.690 55.211 55.803 0.162 0.000 0.912 469 Q CB 1.356 30.171 28.738 0.130 0.000 1.244 469 Q HN 0.973 nan 8.270 nan 0.000 0.441 470 L N 4.148 125.465 121.223 0.157 0.000 2.295 470 L HA 0.548 4.889 4.340 0.001 0.000 0.285 470 L C -0.096 176.837 176.870 0.104 0.000 1.035 470 L CA -0.548 54.373 54.840 0.136 0.000 0.806 470 L CB 1.545 43.662 42.059 0.097 0.000 1.214 470 L HN 0.578 nan 8.230 nan 0.000 0.426 471 R N 3.542 124.076 120.500 0.057 0.000 2.371 471 R HA 0.313 4.653 4.340 0.001 0.000 0.312 471 R C -1.075 175.089 176.300 -0.226 0.000 0.980 471 R CA -0.464 55.495 56.100 -0.236 0.000 0.867 471 R CB 1.293 31.498 30.300 -0.158 0.000 1.163 471 R HN 0.745 nan 8.270 nan 0.000 0.492 472 c N 3.819 122.182 118.600 -0.394 0.000 2.369 472 c HA 0.456 5.027 4.570 0.001 0.000 0.358 472 c C 1.223 175.089 174.090 -0.374 0.000 1.274 472 c CA -0.224 55.770 56.329 -0.559 0.000 1.935 472 c CB 0.592 42.709 42.510 -0.654 0.000 2.431 472 c HN 0.900 nan 8.230 nan 0.000 0.545 473 S N 3.531 119.094 115.700 -0.229 0.000 2.749 473 S HA 0.624 5.095 4.470 0.001 0.000 0.246 473 S C 0.279 174.824 174.600 -0.091 0.000 1.023 473 S CA 0.191 58.313 58.200 -0.131 0.000 1.012 473 S CB 0.012 63.171 63.200 -0.068 0.000 0.942 473 S HN 1.949 nan 8.310 nan 0.000 0.531 474 G N 1.910 110.639 108.800 -0.118 0.000 2.328 474 G HA2 0.394 4.354 3.960 0.001 0.000 0.299 474 G HA3 0.394 4.354 3.960 0.001 0.000 0.299 474 G C -3.038 171.824 174.900 -0.063 0.000 1.435 474 G CA -0.576 44.494 45.100 -0.050 0.000 0.865 474 G HN -0.128 nan 8.290 nan 0.000 0.601 475 P HA 0.123 nan 4.420 nan 0.000 0.229 475 P C 1.257 178.587 177.300 0.049 0.000 1.160 475 P CA 1.319 64.438 63.100 0.031 0.000 0.777 475 P CB 0.452 32.167 31.700 0.025 0.000 0.814 476 G N 0.404 109.165 108.800 -0.066 0.000 2.510 476 G HA2 0.416 4.376 3.960 0.001 0.000 0.280 476 G HA3 0.416 4.376 3.960 0.001 0.000 0.280 476 G C -0.353 174.312 174.900 -0.392 0.000 1.386 476 G CA -0.763 44.226 45.100 -0.186 0.000 1.047 476 G HN 0.045 nan 8.290 nan 0.000 0.527 477 L N 1.304 122.219 121.223 -0.513 0.000 2.453 477 L HA 0.174 4.515 4.340 0.001 0.000 0.272 477 L C -1.870 174.832 176.870 -0.280 0.000 1.182 477 L CA -1.294 53.207 54.840 -0.565 0.000 0.858 477 L CB 0.830 42.629 42.059 -0.434 0.000 1.120 477 L HN 0.234 nan 8.230 nan 0.000 0.474 478 P HA -0.033 nan 4.420 nan 0.000 0.263 478 P C -0.949 176.289 177.300 -0.104 0.000 1.175 478 P CA 0.147 63.163 63.100 -0.139 0.000 0.761 478 P CB 0.459 32.163 31.700 0.007 0.000 0.794 479 L N 5.555 126.642 121.223 -0.227 0.000 2.406 479 L HA 0.482 4.822 4.340 0.001 0.000 0.272 479 L C -1.691 175.055 176.870 -0.206 0.000 0.980 479 L CA -0.659 54.115 54.840 -0.111 0.000 0.831 479 L CB 0.910 42.913 42.059 -0.094 0.000 1.253 479 L HN 0.209 nan 8.230 nan 0.000 0.406 480 Y N 2.604 122.864 120.300 -0.067 0.000 2.352 480 Y HA 0.773 5.323 4.550 0.001 0.000 0.339 480 Y C 0.486 176.291 175.900 -0.158 0.000 0.992 480 Y CA -0.560 57.486 58.100 -0.089 0.000 1.100 480 Y CB 2.121 40.502 38.460 -0.132 0.000 1.192 480 Y HN 0.671 nan 8.280 nan 0.000 0.458 481 T N 0.740 115.307 114.554 0.022 0.000 2.903 481 T HA 0.686 5.037 4.350 0.001 0.000 0.299 481 T C -1.561 173.060 174.700 -0.131 0.000 1.093 481 T CA -0.867 61.175 62.100 -0.096 0.000 1.002 481 T CB 1.921 70.772 68.868 -0.028 0.000 1.127 481 T HN 0.389 nan 8.240 nan 0.000 0.488 482 L N 2.019 123.040 121.223 -0.336 0.000 2.329 482 L HA 0.623 4.964 4.340 0.001 0.000 0.279 482 L C -0.636 175.895 176.870 -0.564 0.000 1.014 482 L CA -0.277 54.408 54.840 -0.259 0.000 0.814 482 L CB 1.063 43.022 42.059 -0.167 0.000 1.257 482 L HN 0.830 nan 8.230 nan 0.000 0.424 483 H N 1.491 120.315 119.070 -0.410 0.000 2.894 483 H HA 0.442 4.999 4.556 0.001 0.000 0.368 483 H C -1.178 173.884 175.328 -0.443 0.000 1.181 483 H CA -0.897 54.794 56.048 -0.594 0.000 1.146 483 H CB 2.234 31.250 29.762 -1.244 0.000 1.839 483 H HN 0.489 nan 8.280 nan 0.000 0.557 484 S N 0.190 115.778 115.700 -0.186 0.000 2.449 484 S HA 0.190 4.661 4.470 0.001 0.000 0.310 484 S C 0.691 175.239 174.600 -0.087 0.000 1.096 484 S CA -0.584 57.512 58.200 -0.173 0.000 1.095 484 S CB 1.201 64.328 63.200 -0.121 0.000 1.007 484 S HN 0.609 nan 8.310 nan 0.000 0.474 485 S N 3.664 119.337 115.700 -0.046 0.000 2.402 485 S HA -0.102 4.369 4.470 0.001 0.000 0.229 485 S C 1.987 176.610 174.600 0.037 0.000 1.021 485 S CA 1.092 59.365 58.200 0.122 0.000 0.974 485 S CB -0.445 62.817 63.200 0.103 0.000 0.800 485 S HN 0.701 nan 8.310 nan 0.000 0.484 486 V N 2.766 122.654 119.914 -0.044 0.000 2.278 486 V HA -0.196 3.925 4.120 0.001 0.000 0.251 486 V C 0.919 177.011 176.094 -0.002 0.000 1.062 486 V CA 1.922 64.210 62.300 -0.019 0.000 1.038 486 V CB -0.291 31.507 31.823 -0.042 0.000 0.646 486 V HN 0.502 nan 8.190 nan 0.000 0.447 487 N N -1.005 117.690 118.700 -0.009 0.000 2.194 487 N HA 0.123 4.864 4.740 0.001 0.000 0.231 487 N C -0.391 175.121 175.510 0.003 0.000 1.247 487 N CA 0.483 53.531 53.050 -0.004 0.000 0.884 487 N CB 0.557 39.042 38.487 -0.003 0.000 1.146 487 N HN 0.476 nan 8.380 nan 0.000 0.516 488 D N 1.243 121.662 120.400 0.030 0.000 2.708 488 D HA -0.162 4.479 4.640 0.001 0.000 0.236 488 D C -0.139 176.185 176.300 0.039 0.000 1.146 488 D CA 1.099 55.143 54.000 0.074 0.000 0.662 488 D CB -0.926 39.906 40.800 0.053 0.000 1.059 488 D HN 0.378 nan 8.370 nan 0.000 0.428 489 K N -0.006 120.396 120.400 0.002 0.000 2.154 489 K HA 0.421 4.741 4.320 0.001 0.000 0.264 489 K C 1.069 177.641 176.600 -0.047 0.000 1.008 489 K CA -0.126 56.151 56.287 -0.018 0.000 0.937 489 K CB 0.997 33.477 32.500 -0.034 0.000 1.002 489 K HN 0.127 nan 8.250 nan 0.000 0.469 490 G N 2.802 111.553 108.800 -0.082 0.000 2.475 490 G HA2 0.218 4.179 3.960 0.001 0.000 0.322 490 G HA3 0.218 4.179 3.960 0.001 0.000 0.322 490 G C 0.790 175.542 174.900 -0.248 0.000 1.044 490 G CA -0.419 44.524 45.100 -0.262 0.000 1.047 490 G HN 0.525 nan 8.290 nan 0.000 0.436 491 L N 1.674 122.721 121.223 -0.295 0.000 1.973 491 L HA 0.201 4.541 4.340 0.001 0.000 0.208 491 L C 1.722 178.490 176.870 -0.170 0.000 1.073 491 L CA 1.113 55.848 54.840 -0.175 0.000 0.746 491 L CB -0.269 41.714 42.059 -0.126 0.000 0.891 491 L HN 0.675 nan 8.230 nan 0.000 0.433 492 R N -1.600 118.762 120.500 -0.230 0.000 2.712 492 R HA 0.458 4.799 4.340 0.001 0.000 0.272 492 R C -1.671 174.493 176.300 -0.226 0.000 1.032 492 R CA -0.859 55.130 56.100 -0.186 0.000 0.874 492 R CB 1.569 31.791 30.300 -0.129 0.000 1.256 492 R HN -0.233 nan 8.270 nan 0.000 0.468 493 V N 3.220 123.027 119.914 -0.178 0.000 2.432 493 V HA 0.170 4.291 4.120 0.001 0.000 0.271 493 V C 1.341 177.287 176.094 -0.247 0.000 1.046 493 V CA -0.383 61.811 62.300 -0.177 0.000 0.945 493 V CB 1.065 32.821 31.823 -0.111 0.000 0.992 493 V HN 0.654 nan 8.190 nan 0.000 0.471 494 L N 2.696 123.692 121.223 -0.378 0.000 2.162 494 L HA 0.263 4.603 4.340 0.001 0.000 0.205 494 L C 0.749 177.318 176.870 -0.502 0.000 1.086 494 L CA 0.768 55.172 54.840 -0.727 0.000 0.778 494 L CB 0.174 41.376 42.059 -1.429 0.000 0.928 494 L HN 0.694 nan 8.230 nan 0.000 0.446 495 E N -0.128 119.931 120.200 -0.236 0.000 2.406 495 E HA 0.082 4.432 4.350 0.001 0.000 0.297 495 E C -1.265 175.373 176.600 0.063 0.000 0.917 495 E CA -0.357 56.012 56.400 -0.052 0.000 0.795 495 E CB 0.988 30.660 29.700 -0.046 0.000 1.285 495 E HN 0.166 nan 8.360 nan 0.000 0.400 496 D N 2.996 123.413 120.400 0.029 0.000 2.431 496 D HA 0.162 4.803 4.640 0.001 0.000 0.213 496 D C -0.218 176.092 176.300 0.016 0.000 1.130 496 D CA -0.279 53.733 54.000 0.021 0.000 0.834 496 D CB -0.012 40.780 40.800 -0.013 0.000 0.985 496 D HN 0.440 nan 8.370 nan 0.000 0.504 497 N N 0.471 119.196 118.700 0.041 0.000 2.708 497 N HA -0.229 4.512 4.740 0.001 0.000 0.249 497 N C 0.921 176.434 175.510 0.006 0.000 1.097 497 N CA 0.975 54.043 53.050 0.031 0.000 0.710 497 N CB -1.279 37.219 38.487 0.017 0.000 1.032 497 N HN 0.511 nan 8.380 nan 0.000 0.551 498 S N -1.451 114.253 115.700 0.006 0.000 2.442 498 S HA -0.001 4.470 4.470 0.001 0.000 0.236 498 S C 2.027 176.637 174.600 0.017 0.000 1.007 498 S CA 0.853 59.054 58.200 0.002 0.000 0.965 498 S CB 0.019 63.220 63.200 0.001 0.000 0.773 498 S HN 0.507 nan 8.310 nan 0.000 0.504 499 A N 2.122 124.961 122.820 0.033 0.000 1.855 499 A HA 0.135 4.456 4.320 0.001 0.000 0.215 499 A C 2.183 179.806 177.584 0.065 0.000 1.191 499 A CA 1.399 53.465 52.037 0.049 0.000 0.613 499 A CB -0.960 18.073 19.000 0.056 0.000 0.829 499 A HN 0.501 nan 8.150 nan 0.000 0.442 500 L N 0.612 121.877 121.223 0.070 0.000 2.042 500 L HA -0.204 4.137 4.340 0.001 0.000 0.210 500 L C 1.897 178.799 176.870 0.052 0.000 1.076 500 L CA 2.846 57.744 54.840 0.096 0.000 0.749 500 L CB -0.881 41.230 42.059 0.086 0.000 0.893 500 L HN 0.551 nan 8.230 nan 0.000 0.432 501 D N -0.762 119.641 120.400 0.004 0.000 2.116 501 D HA -0.289 4.351 4.640 0.001 0.000 0.193 501 D C 2.281 178.584 176.300 0.004 0.000 0.998 501 D CA 1.775 55.760 54.000 -0.024 0.000 0.836 501 D CB -0.127 40.650 40.800 -0.038 0.000 0.951 501 D HN 0.354 nan 8.370 nan 0.000 0.449 502 K N -0.428 119.986 120.400 0.024 0.000 2.032 502 K HA -0.175 4.146 4.320 0.001 0.000 0.209 502 K C 2.223 178.858 176.600 0.059 0.000 1.048 502 K CA 1.184 57.493 56.287 0.036 0.000 0.927 502 K CB -0.136 32.388 32.500 0.041 0.000 0.712 502 K HN 0.247 nan 8.250 nan 0.000 0.441 503 M N 0.692 120.349 119.600 0.096 0.000 2.117 503 M HA -0.151 4.330 4.480 0.001 0.000 0.262 503 M C 2.001 178.361 176.300 0.099 0.000 1.065 503 M CA 1.373 56.770 55.300 0.161 0.000 1.114 503 M CB -0.134 32.645 32.600 0.297 0.000 1.361 503 M HN 0.175 nan 8.290 nan 0.000 0.408 504 L N -0.350 120.878 121.223 0.008 0.000 2.456 504 L HA -0.181 4.159 4.340 0.001 0.000 0.224 504 L C 2.174 179.019 176.870 -0.042 0.000 1.148 504 L CA 0.733 55.515 54.840 -0.095 0.000 0.825 504 L CB -0.595 41.406 42.059 -0.097 0.000 0.937 504 L HN 0.427 nan 8.230 nan 0.000 0.450 505 Q N -0.005 119.795 119.800 -0.001 0.000 2.224 505 Q HA -0.099 4.242 4.340 0.001 0.000 0.203 505 Q C 1.117 177.132 176.000 0.025 0.000 0.970 505 Q CA 0.847 56.655 55.803 0.009 0.000 0.865 505 Q CB 0.047 28.796 28.738 0.018 0.000 0.922 505 Q HN 0.562 nan 8.270 nan 0.000 0.445 506 N N -0.028 118.696 118.700 0.041 0.000 2.314 506 N HA 0.071 4.812 4.740 0.001 0.000 0.200 506 N C -0.673 174.874 175.510 0.062 0.000 1.135 506 N CA 0.234 53.321 53.050 0.061 0.000 0.835 506 N CB 1.128 39.666 38.487 0.085 0.000 0.989 506 N HN -0.048 nan 8.380 nan 0.000 0.478 507 V N 0.985 120.914 119.914 0.024 0.000 2.680 507 V HA 0.213 4.334 4.120 0.001 0.000 0.309 507 V C 0.100 176.199 176.094 0.008 0.000 1.052 507 V CA -0.837 61.474 62.300 0.018 0.000 0.908 507 V CB 2.589 34.370 31.823 -0.071 0.000 1.001 507 V HN -0.005 nan 8.190 nan 0.000 0.431 508 Q N 4.061 123.878 119.800 0.029 0.000 2.553 508 Q HA 0.350 4.690 4.340 0.001 0.000 0.221 508 Q C -0.506 175.468 176.000 -0.043 0.000 1.219 508 Q CA -0.222 55.573 55.803 -0.014 0.000 0.955 508 Q CB 0.485 29.237 28.738 0.022 0.000 1.399 508 Q HN 0.525 nan 8.270 nan 0.000 0.551 509 M N 3.671 123.229 119.600 -0.069 0.000 2.250 509 M HA 0.335 4.816 4.480 0.001 0.000 0.344 509 M C -1.920 174.312 176.300 -0.113 0.000 1.150 509 M CA -2.245 53.005 55.300 -0.083 0.000 1.147 509 M CB 0.129 32.685 32.600 -0.073 0.000 1.498 509 M HN 0.302 nan 8.290 nan 0.000 0.461 510 P HA 0.249 nan 4.420 nan 0.000 0.276 510 P C -0.787 176.428 177.300 -0.141 0.000 1.261 510 P CA -0.324 62.688 63.100 -0.148 0.000 0.800 510 P CB 0.668 32.268 31.700 -0.166 0.000 1.066 511 S N -0.705 114.898 115.700 -0.162 0.000 2.739 511 S HA 0.642 5.113 4.470 0.001 0.000 0.306 511 S C -0.551 173.948 174.600 -0.168 0.000 1.115 511 S CA -0.787 57.329 58.200 -0.141 0.000 0.985 511 S CB 1.751 64.867 63.200 -0.140 0.000 1.133 511 S HN 0.533 nan 8.310 nan 0.000 0.541 512 K N 0.415 120.737 120.400 -0.131 0.000 2.426 512 K HA 0.419 4.740 4.320 0.001 0.000 0.254 512 K C -1.373 175.158 176.600 -0.114 0.000 0.936 512 K CA -0.526 55.686 56.287 -0.126 0.000 0.801 512 K CB 1.440 33.886 32.500 -0.089 0.000 1.139 512 K HN 0.705 nan 8.250 nan 0.000 0.424 513 K N 5.204 125.523 120.400 -0.135 0.000 2.235 513 K HA 0.335 4.656 4.320 0.001 0.000 0.266 513 K C -1.614 174.932 176.600 -0.091 0.000 0.980 513 K CA -0.825 55.390 56.287 -0.120 0.000 0.849 513 K CB 1.012 33.411 32.500 -0.169 0.000 1.098 513 K HN 0.491 nan 8.250 nan 0.000 0.445 514 L N 4.085 125.277 121.223 -0.052 0.000 2.356 514 L HA 0.551 4.892 4.340 0.001 0.000 0.277 514 L C -1.177 175.701 176.870 0.012 0.000 0.996 514 L CA 0.122 54.965 54.840 0.006 0.000 0.822 514 L CB 1.513 43.636 42.059 0.106 0.000 1.256 514 L HN 0.837 nan 8.230 nan 0.000 0.413 515 D N 2.519 122.798 120.400 -0.202 0.000 2.946 515 D HA 0.493 5.134 4.640 0.001 0.000 0.337 515 D C -1.608 174.368 176.300 -0.541 0.000 1.332 515 D CA 0.008 53.798 54.000 -0.350 0.000 0.935 515 D CB 1.619 42.153 40.800 -0.443 0.000 1.440 515 D HN 0.246 nan 8.370 nan 0.000 0.540 516 F N -0.155 119.466 119.950 -0.547 0.000 2.664 516 F HA 0.750 5.278 4.527 0.001 0.000 0.317 516 F C -0.800 175.082 175.800 0.138 0.000 1.108 516 F CA -1.034 56.745 58.000 -0.369 0.000 0.957 516 F CB 1.031 39.362 39.000 -1.115 0.000 1.365 516 F HN 0.293 nan 8.300 nan 0.000 0.475 517 I N -0.165 120.703 120.570 0.496 0.000 2.934 517 I HA 0.694 4.864 4.170 0.001 0.000 0.306 517 I C -1.475 174.898 176.117 0.427 0.000 1.110 517 I CA -1.221 60.292 61.300 0.354 0.000 1.019 517 I CB 2.498 40.636 38.000 0.231 0.000 1.227 517 I HN 0.655 nan 8.210 nan 0.000 0.434 518 I N 3.842 124.590 120.570 0.296 0.000 2.460 518 I HA 0.493 4.664 4.170 0.001 0.000 0.298 518 I C -0.793 175.472 176.117 0.247 0.000 0.989 518 I CA -0.801 60.661 61.300 0.269 0.000 1.173 518 I CB 1.974 40.087 38.000 0.188 0.000 1.338 518 I HN 0.380 nan 8.210 nan 0.000 0.456 519 L N 5.330 126.740 121.223 0.313 0.000 2.491 519 L HA 0.340 4.681 4.340 0.001 0.000 0.267 519 L C -0.557 176.448 176.870 0.224 0.000 0.971 519 L CA -0.677 54.319 54.840 0.261 0.000 0.857 519 L CB 1.504 43.749 42.059 0.309 0.000 1.226 519 L HN 0.632 nan 8.230 nan 0.000 0.408 520 N N 2.545 121.316 118.700 0.118 0.000 2.667 520 N HA -0.220 4.521 4.740 0.001 0.000 0.263 520 N C 0.443 175.994 175.510 0.069 0.000 1.038 520 N CA 1.221 54.318 53.050 0.078 0.000 0.749 520 N CB -0.375 38.151 38.487 0.065 0.000 0.892 520 N HN 0.810 nan 8.380 nan 0.000 0.546 521 E N -3.232 117.001 120.200 0.056 0.000 3.680 521 E HA -0.239 4.112 4.350 0.001 0.000 0.309 521 E C -0.326 176.274 176.600 0.001 0.000 0.793 521 E CA 1.991 58.407 56.400 0.027 0.000 1.083 521 E CB -1.306 28.401 29.700 0.012 0.000 1.548 521 E HN 0.627 nan 8.360 nan 0.000 0.456 522 T N 0.929 115.494 114.554 0.018 0.000 2.824 522 T HA 0.457 4.808 4.350 0.001 0.000 0.280 522 T C -0.098 174.489 174.700 -0.188 0.000 0.995 522 T CA -0.889 61.135 62.100 -0.126 0.000 1.009 522 T CB 1.326 70.089 68.868 -0.175 0.000 0.955 522 T HN 0.166 nan 8.240 nan 0.000 0.452 523 K N 2.198 122.390 120.400 -0.346 0.000 2.156 523 K HA 0.621 4.942 4.320 0.001 0.000 0.271 523 K C -1.386 174.935 176.600 -0.466 0.000 0.995 523 K CA -0.611 55.505 56.287 -0.285 0.000 0.890 523 K CB 0.949 33.137 32.500 -0.519 0.000 1.073 523 K HN 0.385 nan 8.250 nan 0.000 0.454 524 F N 1.387 121.418 119.950 0.134 0.000 2.529 524 F HA 0.345 4.873 4.527 0.001 0.000 0.320 524 F C -0.829 175.123 175.800 0.253 0.000 1.118 524 F CA -0.787 57.320 58.000 0.178 0.000 0.915 524 F CB 1.226 40.338 39.000 0.187 0.000 1.161 524 F HN 0.525 nan 8.300 nan 0.000 0.445 525 W N 3.430 124.924 121.300 0.324 0.000 2.303 525 W HA 0.528 5.189 4.660 0.001 0.000 0.334 525 W C -0.598 176.167 176.519 0.411 0.000 1.197 525 W CA -0.590 56.956 57.345 0.334 0.000 1.262 525 W CB 0.573 30.142 29.460 0.182 0.000 1.153 525 W HN 0.449 nan 8.180 nan 0.000 0.596 526 Y N -0.583 120.086 120.300 0.616 0.000 2.655 526 Y HA 0.664 5.214 4.550 0.001 0.000 0.336 526 Y C -1.029 175.100 175.900 0.381 0.000 1.154 526 Y CA -1.900 56.541 58.100 0.569 0.000 1.055 526 Y CB 1.131 40.079 38.460 0.814 0.000 1.295 526 Y HN 0.559 nan 8.280 nan 0.000 0.465 527 Q N 1.978 121.998 119.800 0.367 0.000 2.421 527 Q HA 0.754 5.095 4.340 0.001 0.000 0.280 527 Q C -1.809 174.292 176.000 0.169 0.000 1.085 527 Q CA -1.183 54.711 55.803 0.150 0.000 0.807 527 Q CB 3.353 32.155 28.738 0.106 0.000 1.405 527 Q HN 0.845 nan 8.270 nan 0.000 0.419 528 M N 2.556 122.177 119.600 0.035 0.000 2.263 528 M HA 0.428 4.909 4.480 0.001 0.000 0.295 528 M C -1.231 174.985 176.300 -0.139 0.000 1.028 528 M CA -0.908 54.356 55.300 -0.060 0.000 0.921 528 M CB 2.129 34.658 32.600 -0.118 0.000 1.601 528 M HN 0.612 nan 8.290 nan 0.000 0.440 529 I N 5.232 125.721 120.570 -0.136 0.000 2.301 529 I HA 0.335 4.506 4.170 0.001 0.000 0.292 529 I C -0.331 175.638 176.117 -0.248 0.000 1.046 529 I CA -0.214 60.983 61.300 -0.173 0.000 1.282 529 I CB 0.246 38.164 38.000 -0.138 0.000 1.409 529 I HN 0.636 nan 8.210 nan 0.000 0.484 530 L N 8.503 129.527 121.223 -0.331 0.000 2.309 530 L HA 0.462 4.803 4.340 0.001 0.000 0.282 530 L C -2.195 174.496 176.870 -0.298 0.000 1.036 530 L CA -1.832 52.728 54.840 -0.466 0.000 0.806 530 L CB 1.186 42.770 42.059 -0.792 0.000 1.220 530 L HN 0.275 nan 8.230 nan 0.000 0.429 531 P HA 0.105 nan 4.420 nan 0.000 0.271 531 P C -2.490 174.772 177.300 -0.063 0.000 1.233 531 P CA -0.916 62.122 63.100 -0.103 0.000 0.789 531 P CB -0.158 31.531 31.700 -0.019 0.000 0.951 532 P HA -0.051 nan 4.420 nan 0.000 0.268 532 P C -0.271 176.950 177.300 -0.132 0.000 1.208 532 P CA 0.712 63.676 63.100 -0.227 0.000 0.777 532 P CB -0.212 31.328 31.700 -0.266 0.000 0.875 533 H N -1.130 117.979 119.070 0.064 0.000 2.655 533 H HA -0.218 4.339 4.556 0.001 0.000 0.313 533 H C 0.147 175.536 175.328 0.101 0.000 1.141 533 H CA -0.025 56.065 56.048 0.069 0.000 1.138 533 H CB -2.232 27.561 29.762 0.052 0.000 1.446 533 H HN 0.375 nan 8.280 nan 0.000 0.415 534 F N 2.316 122.262 119.950 -0.007 0.000 2.623 534 F HA 0.074 4.601 4.527 0.001 0.000 0.386 534 F C 0.628 176.451 175.800 0.039 0.000 1.068 534 F CA 0.160 58.119 58.000 -0.068 0.000 1.265 534 F CB 0.483 39.337 39.000 -0.244 0.000 1.026 534 F HN 0.183 nan 8.300 nan 0.000 0.568 535 D N 5.823 125.860 120.400 -0.606 0.000 2.440 535 D HA 0.134 4.774 4.640 0.001 0.000 0.252 535 D C 0.438 176.385 176.300 -0.588 0.000 1.180 535 D CA -0.586 53.164 54.000 -0.417 0.000 0.894 535 D CB 0.899 41.616 40.800 -0.138 0.000 1.111 535 D HN 0.653 nan 8.370 nan 0.000 0.544 536 K N 0.980 121.044 120.400 -0.561 0.000 2.585 536 K HA -0.079 4.242 4.320 0.001 0.000 0.194 536 K C 0.872 177.476 176.600 0.007 0.000 1.037 536 K CA 0.849 57.003 56.287 -0.221 0.000 0.964 536 K CB -0.119 32.393 32.500 0.021 0.000 0.787 536 K HN 0.183 nan 8.250 nan 0.000 0.488 537 S N -0.351 115.311 115.700 -0.063 0.000 2.556 537 S HA 0.138 4.609 4.470 0.001 0.000 0.216 537 S C 0.180 174.746 174.600 -0.056 0.000 0.970 537 S CA -0.555 57.626 58.200 -0.031 0.000 0.912 537 S CB 0.085 63.259 63.200 -0.044 0.000 0.790 537 S HN 0.212 nan 8.310 nan 0.000 0.504 538 K N 1.041 121.384 120.400 -0.095 0.000 2.185 538 K HA 0.487 4.808 4.320 0.001 0.000 0.240 538 K C -0.731 175.781 176.600 -0.147 0.000 0.983 538 K CA -0.932 55.237 56.287 -0.195 0.000 0.873 538 K CB 0.779 33.042 32.500 -0.394 0.000 1.118 538 K HN -0.093 nan 8.250 nan 0.000 0.441 539 K N 2.227 122.496 120.400 -0.218 0.000 2.263 539 K HA 0.272 4.592 4.320 0.001 0.000 0.272 539 K C -0.990 175.488 176.600 -0.204 0.000 1.033 539 K CA -0.292 55.931 56.287 -0.108 0.000 0.884 539 K CB 0.645 33.085 32.500 -0.101 0.000 1.107 539 K HN 0.476 nan 8.250 nan 0.000 0.460 540 Y N 3.194 123.512 120.300 0.031 0.000 2.387 540 Y HA 0.284 4.835 4.550 0.001 0.000 0.330 540 Y C -1.678 174.158 175.900 -0.107 0.000 1.133 540 Y CA -2.140 55.960 58.100 -0.000 0.000 1.152 540 Y CB 1.145 39.680 38.460 0.125 0.000 1.215 540 Y HN 0.451 nan 8.280 nan 0.000 0.466 541 P HA 0.187 nan 4.420 nan 0.000 0.274 541 P C -1.208 175.949 177.300 -0.238 0.000 1.237 541 P CA -0.259 62.552 63.100 -0.482 0.000 0.793 541 P CB 1.741 32.763 31.700 -1.131 0.000 0.977 542 L N 1.950 123.066 121.223 -0.178 0.000 2.409 542 L HA 0.503 4.844 4.340 0.001 0.000 0.272 542 L C -1.322 175.740 176.870 0.320 0.000 0.980 542 L CA -1.144 53.748 54.840 0.086 0.000 0.826 542 L CB 1.818 43.921 42.059 0.074 0.000 1.268 542 L HN 0.161 nan 8.230 nan 0.000 0.407 543 L N 5.404 126.833 121.223 0.342 0.000 2.305 543 L HA 0.504 4.845 4.340 0.001 0.000 0.284 543 L C -1.234 175.864 176.870 0.380 0.000 1.013 543 L CA -0.314 54.775 54.840 0.415 0.000 0.819 543 L CB 1.546 43.809 42.059 0.340 0.000 1.227 543 L HN 0.628 nan 8.230 nan 0.000 0.417 544 L N 5.187 126.679 121.223 0.448 0.000 2.283 544 L HA 0.379 4.720 4.340 0.001 0.000 0.287 544 L C -0.475 176.631 176.870 0.394 0.000 1.073 544 L CA 0.214 55.303 54.840 0.415 0.000 0.822 544 L CB 0.455 42.797 42.059 0.472 0.000 1.186 544 L HN 0.612 nan 8.230 nan 0.000 0.436 545 D N 4.313 124.921 120.400 0.346 0.000 2.339 545 D HA 0.227 4.868 4.640 0.001 0.000 0.241 545 D C -0.962 175.425 176.300 0.145 0.000 1.183 545 D CA 0.156 54.287 54.000 0.218 0.000 0.859 545 D CB 1.170 42.150 40.800 0.300 0.000 1.067 545 D HN 0.331 nan 8.370 nan 0.000 0.484 546 V N 5.488 125.423 119.914 0.035 0.000 2.823 546 V HA 0.434 4.555 4.120 0.001 0.000 0.312 546 V C -0.974 175.215 176.094 0.157 0.000 1.072 546 V CA -0.461 61.919 62.300 0.134 0.000 0.937 546 V CB 1.889 33.798 31.823 0.143 0.000 1.013 546 V HN 0.663 nan 8.190 nan 0.000 0.430 547 Y N 5.040 125.413 120.300 0.121 0.000 3.183 547 Y HA 0.551 5.102 4.550 0.001 0.000 0.200 547 Y C 1.610 177.658 175.900 0.246 0.000 0.912 547 Y CA 1.095 59.294 58.100 0.165 0.000 1.642 547 Y CB 0.400 38.938 38.460 0.130 0.000 1.447 547 Y HN 1.037 nan 8.280 nan 0.000 0.421 548 A N 0.877 123.824 122.820 0.210 0.000 2.979 548 A HA -0.178 4.142 4.320 0.001 0.000 0.260 548 A C 0.911 178.347 177.584 -0.246 0.000 1.282 548 A CA 0.864 52.954 52.037 0.089 0.000 0.971 548 A CB -2.544 16.565 19.000 0.182 0.000 1.124 548 A HN 0.912 nan 8.150 nan 0.000 0.826 549 G N -0.380 108.032 108.800 -0.647 0.000 2.684 549 G HA2 0.466 4.427 3.960 0.001 0.000 0.255 549 G HA3 0.466 4.427 3.960 0.001 0.000 0.255 549 G C -1.832 172.733 174.900 -0.560 0.000 1.219 549 G CA -0.438 43.849 45.100 -1.355 0.000 0.901 549 G HN 0.450 nan 8.290 nan 0.000 0.548 550 P HA 0.070 nan 4.420 nan 0.000 0.267 550 P C 0.511 177.644 177.300 -0.277 0.000 1.209 550 P CA 0.190 62.992 63.100 -0.497 0.000 0.763 550 P CB 0.840 31.865 31.700 -1.124 0.000 0.816 551 C N 2.264 121.479 119.300 -0.143 0.000 4.475 551 C HA -0.141 4.319 4.460 0.001 0.000 0.280 551 C C 1.056 176.070 174.990 0.040 0.000 1.338 551 C CA 1.137 60.051 59.018 -0.174 0.000 1.893 551 C CB -2.587 24.898 27.740 -0.425 0.000 1.299 551 C HN 0.825 nan 8.230 nan 0.000 0.767 552 S N 0.096 115.882 115.700 0.142 0.000 2.632 552 S HA 0.606 5.076 4.470 0.001 0.000 0.267 552 S C -0.624 174.143 174.600 0.280 0.000 1.276 552 S CA 0.177 58.551 58.200 0.291 0.000 0.998 552 S CB 1.662 65.098 63.200 0.393 0.000 0.953 552 S HN 0.828 nan 8.310 nan 0.000 0.547 553 Q N -0.042 119.942 119.800 0.306 0.000 2.334 553 Q HA 0.345 4.686 4.340 0.001 0.000 0.249 553 Q C -0.906 175.217 176.000 0.206 0.000 0.909 553 Q CA -0.536 55.434 55.803 0.279 0.000 0.823 553 Q CB 1.047 30.000 28.738 0.358 0.000 1.353 553 Q HN 0.722 nan 8.270 nan 0.000 0.433 554 K N 1.037 121.556 120.400 0.199 0.000 2.374 554 K HA 0.359 4.680 4.320 0.001 0.000 0.202 554 K C -0.606 176.097 176.600 0.171 0.000 1.040 554 K CA 0.191 56.584 56.287 0.176 0.000 1.085 554 K CB 1.680 34.309 32.500 0.216 0.000 0.873 554 K HN 0.476 nan 8.250 nan 0.000 0.539 555 A N 2.580 125.509 122.820 0.182 0.000 2.328 555 A HA 0.466 4.787 4.320 0.001 0.000 0.318 555 A C -0.880 176.770 177.584 0.110 0.000 1.347 555 A CA -0.549 51.598 52.037 0.183 0.000 0.842 555 A CB 0.273 19.446 19.000 0.288 0.000 1.148 555 A HN 0.233 nan 8.150 nan 0.000 0.499 556 D N -0.104 120.329 120.400 0.055 0.000 2.752 556 D HA 0.419 5.060 4.640 0.001 0.000 0.313 556 D C 0.483 176.773 176.300 -0.017 0.000 1.225 556 D CA 0.299 54.311 54.000 0.019 0.000 0.976 556 D CB 0.260 41.066 40.800 0.011 0.000 1.443 556 D HN 0.169 nan 8.370 nan 0.000 0.515 557 T N -2.397 112.154 114.554 -0.004 0.000 3.122 557 T HA 0.283 4.634 4.350 0.001 0.000 0.250 557 T C 0.546 175.180 174.700 -0.109 0.000 1.067 557 T CA -0.335 61.757 62.100 -0.012 0.000 0.966 557 T CB -0.600 68.309 68.868 0.068 0.000 1.002 557 T HN 0.270 nan 8.240 nan 0.000 0.542 558 V N 2.618 122.356 119.914 -0.294 0.000 2.637 558 V HA 0.281 4.402 4.120 0.001 0.000 0.296 558 V C 0.122 176.135 176.094 -0.135 0.000 1.046 558 V CA -0.826 61.268 62.300 -0.343 0.000 1.066 558 V CB -0.043 31.454 31.823 -0.544 0.000 0.968 558 V HN 0.555 nan 8.190 nan 0.000 0.483 559 F N 6.459 126.300 119.950 -0.182 0.000 2.420 559 F HA 0.591 5.118 4.527 0.001 0.000 0.352 559 F C 0.480 176.216 175.800 -0.106 0.000 1.108 559 F CA -0.216 57.707 58.000 -0.128 0.000 1.162 559 F CB 0.334 39.268 39.000 -0.109 0.000 1.118 559 F HN 0.430 nan 8.300 nan 0.000 0.510 560 R N 6.510 126.518 120.500 -0.820 0.000 2.725 560 R HA 0.550 4.891 4.340 0.001 0.000 0.277 560 R C -1.729 174.170 176.300 -0.667 0.000 0.987 560 R CA -1.104 54.685 56.100 -0.519 0.000 0.901 560 R CB 2.212 32.352 30.300 -0.266 0.000 1.207 560 R HN 0.667 nan 8.270 nan 0.000 0.463 561 L N 3.853 124.874 121.223 -0.337 0.000 2.324 561 L HA 0.401 4.741 4.340 0.001 0.000 0.274 561 L C -0.684 176.157 176.870 -0.048 0.000 1.012 561 L CA -0.627 54.048 54.840 -0.275 0.000 0.859 561 L CB 0.710 42.751 42.059 -0.030 0.000 1.224 561 L HN 0.763 nan 8.230 nan 0.000 0.429 562 N N 0.157 118.750 118.700 -0.178 0.000 3.479 562 N HA 0.181 4.922 4.740 0.001 0.000 0.336 562 N C 0.216 175.390 175.510 -0.560 0.000 1.623 562 N CA -0.882 51.970 53.050 -0.329 0.000 0.759 562 N CB 0.129 38.542 38.487 -0.123 0.000 2.016 562 N HN 0.287 nan 8.380 nan 0.000 0.637 563 W N 0.613 121.327 121.300 -0.976 0.000 2.338 563 W HA 0.109 4.770 4.660 0.001 0.000 0.304 563 W C 2.064 178.539 176.519 -0.072 0.000 1.212 563 W CA 2.920 59.940 57.345 -0.542 0.000 1.264 563 W CB -1.005 28.301 29.460 -0.255 0.000 1.142 563 W HN 0.697 nan 8.180 nan 0.000 0.512 564 A N -0.668 122.130 122.820 -0.037 0.000 1.972 564 A HA -0.191 4.129 4.320 0.001 0.000 0.219 564 A C 1.933 179.405 177.584 -0.186 0.000 1.169 564 A CA 2.381 54.328 52.037 -0.150 0.000 0.635 564 A CB -1.242 17.755 19.000 -0.006 0.000 0.810 564 A HN 0.298 nan 8.150 nan 0.000 0.446 565 T N -1.157 113.298 114.554 -0.164 0.000 2.708 565 T HA -0.204 4.147 4.350 0.001 0.000 0.266 565 T C 1.816 176.518 174.700 0.004 0.000 1.037 565 T CA 1.755 63.727 62.100 -0.213 0.000 1.146 565 T CB -0.484 68.059 68.868 -0.541 0.000 0.865 565 T HN 0.704 nan 8.240 nan 0.000 0.435 566 Y N 2.065 122.439 120.300 0.122 0.000 2.163 566 Y HA -0.004 4.547 4.550 0.001 0.000 0.288 566 Y C 1.963 177.847 175.900 -0.027 0.000 1.136 566 Y CA 0.878 59.093 58.100 0.193 0.000 1.147 566 Y CB -0.786 37.788 38.460 0.189 0.000 0.987 566 Y HN 0.109 nan 8.280 nan 0.000 0.509 567 L N 0.285 121.032 121.223 -0.792 0.000 2.042 567 L HA -0.244 4.097 4.340 0.001 0.000 0.210 567 L C 2.810 179.414 176.870 -0.444 0.000 1.076 567 L CA 1.408 55.737 54.840 -0.851 0.000 0.749 567 L CB -0.985 40.623 42.059 -0.751 0.000 0.893 567 L HN 0.444 nan 8.230 nan 0.000 0.432 568 A N -1.293 121.355 122.820 -0.287 0.000 1.874 568 A HA -0.170 4.151 4.320 0.001 0.000 0.214 568 A C 2.511 180.024 177.584 -0.118 0.000 1.189 568 A CA 1.651 53.584 52.037 -0.175 0.000 0.615 568 A CB -0.597 18.302 19.000 -0.169 0.000 0.830 568 A HN 0.323 nan 8.150 nan 0.000 0.443 569 S N -1.182 114.463 115.700 -0.091 0.000 2.383 569 S HA -0.105 4.365 4.470 0.001 0.000 0.227 569 S C 1.891 176.504 174.600 0.022 0.000 1.026 569 S CA 2.223 60.418 58.200 -0.008 0.000 0.981 569 S CB -0.303 62.944 63.200 0.078 0.000 0.818 569 S HN 0.580 nan 8.310 nan 0.000 0.472 570 T N 0.870 115.411 114.554 -0.022 0.000 3.042 570 T HA 0.205 4.556 4.350 0.001 0.000 0.245 570 T C 1.299 175.978 174.700 -0.034 0.000 1.029 570 T CA 0.346 62.459 62.100 0.022 0.000 1.120 570 T CB -0.010 68.948 68.868 0.151 0.000 0.917 570 T HN 0.278 nan 8.240 nan 0.000 0.467 571 E N 1.359 121.456 120.200 -0.171 0.000 2.474 571 E HA 0.174 4.525 4.350 0.001 0.000 0.195 571 E C -0.004 176.589 176.600 -0.012 0.000 1.039 571 E CA -0.066 56.274 56.400 -0.099 0.000 0.881 571 E CB -0.291 29.291 29.700 -0.197 0.000 0.970 571 E HN 0.523 nan 8.360 nan 0.000 0.486 572 N N 0.615 119.319 118.700 0.005 0.000 2.735 572 N HA -0.193 4.548 4.740 0.001 0.000 0.248 572 N C -0.766 174.841 175.510 0.162 0.000 1.083 572 N CA 0.291 53.414 53.050 0.122 0.000 0.703 572 N CB -1.235 37.368 38.487 0.194 0.000 1.005 572 N HN 0.216 nan 8.380 nan 0.000 0.550 573 I N 0.863 121.456 120.570 0.039 0.000 2.392 573 I HA 0.352 4.523 4.170 0.001 0.000 0.295 573 I C 0.591 176.703 176.117 -0.008 0.000 0.985 573 I CA -0.816 60.515 61.300 0.052 0.000 1.221 573 I CB 1.290 39.331 38.000 0.067 0.000 1.366 573 I HN 0.025 nan 8.210 nan 0.000 0.467 574 I N 6.293 126.872 120.570 0.015 0.000 2.395 574 I HA 0.203 4.373 4.170 0.001 0.000 0.289 574 I C -0.450 175.668 176.117 0.002 0.000 1.023 574 I CA -0.525 60.746 61.300 -0.049 0.000 1.350 574 I CB 1.283 39.260 38.000 -0.038 0.000 1.409 574 I HN 0.187 nan 8.210 nan 0.000 0.507 575 V N 6.625 126.522 119.914 -0.027 0.000 2.334 575 V HA 0.584 4.705 4.120 0.001 0.000 0.281 575 V C 0.342 176.465 176.094 0.049 0.000 1.016 575 V CA -0.431 61.898 62.300 0.049 0.000 0.832 575 V CB 1.095 32.937 31.823 0.032 0.000 0.999 575 V HN 0.844 nan 8.190 nan 0.000 0.439 576 A N 4.007 126.881 122.820 0.090 0.000 2.330 576 A HA 0.958 5.279 4.320 0.001 0.000 0.329 576 A C -0.122 177.607 177.584 0.242 0.000 1.135 576 A CA -0.510 51.578 52.037 0.085 0.000 0.817 576 A CB 1.675 20.583 19.000 -0.153 0.000 1.269 576 A HN 0.676 nan 8.150 nan 0.000 0.469 577 S N -0.408 115.484 115.700 0.320 0.000 2.546 577 S HA 0.725 5.196 4.470 0.001 0.000 0.274 577 S C -1.525 173.422 174.600 0.577 0.000 1.121 577 S CA -0.301 58.132 58.200 0.387 0.000 0.887 577 S CB 1.325 64.696 63.200 0.284 0.000 1.094 577 S HN 0.785 nan 8.310 nan 0.000 0.474 578 F N 1.783 121.964 119.950 0.385 0.000 2.569 578 F HA 0.509 5.037 4.527 0.001 0.000 0.312 578 F C -1.504 174.503 175.800 0.345 0.000 1.109 578 F CA -0.791 57.466 58.000 0.429 0.000 0.919 578 F CB 1.548 40.784 39.000 0.393 0.000 1.211 578 F HN 0.392 nan 8.300 nan 0.000 0.446 579 D N 4.436 124.639 120.400 -0.328 0.000 2.473 579 D HA 0.362 5.003 4.640 0.001 0.000 0.226 579 D C 0.348 176.324 176.300 -0.541 0.000 1.089 579 D CA 0.132 53.999 54.000 -0.222 0.000 0.883 579 D CB 1.380 42.219 40.800 0.065 0.000 1.029 579 D HN 0.770 nan 8.370 nan 0.000 0.517 580 G N 1.122 109.663 108.800 -0.432 0.000 2.641 580 G HA2 0.290 4.251 3.960 0.001 0.000 0.239 580 G HA3 0.290 4.251 3.960 0.001 0.000 0.239 580 G C 0.164 175.058 174.900 -0.011 0.000 1.402 580 G CA -0.719 44.173 45.100 -0.347 0.000 1.046 580 G HN 0.280 nan 8.290 nan 0.000 0.565 581 R N -0.717 119.752 120.500 -0.052 0.000 2.585 581 R HA 0.350 4.690 4.340 0.001 0.000 0.275 581 R C 1.277 177.659 176.300 0.136 0.000 1.018 581 R CA 1.590 57.764 56.100 0.125 0.000 1.072 581 R CB 0.383 30.727 30.300 0.074 0.000 0.953 581 R HN 1.067 nan 8.270 nan 0.000 0.419 582 G N 1.169 110.051 108.800 0.136 0.000 2.232 582 G HA2 -0.325 3.636 3.960 0.001 0.000 0.226 582 G HA3 -0.325 3.636 3.960 0.001 0.000 0.226 582 G C 0.165 175.091 174.900 0.043 0.000 0.996 582 G CA 0.155 45.313 45.100 0.097 0.000 0.626 582 G HN 0.734 nan 8.290 nan 0.000 0.509 583 S N 0.292 116.029 115.700 0.062 0.000 2.608 583 S HA 0.683 5.154 4.470 0.001 0.000 0.261 583 S C 0.835 175.420 174.600 -0.025 0.000 1.314 583 S CA 0.525 58.754 58.200 0.047 0.000 0.992 583 S CB 1.716 64.975 63.200 0.099 0.000 0.935 583 S HN 1.692 nan 8.310 nan 0.000 0.564 584 G N -1.283 107.465 108.800 -0.087 0.000 2.601 584 G HA2 0.513 4.473 3.960 0.001 0.000 0.317 584 G HA3 0.513 4.473 3.960 0.001 0.000 0.317 584 G C -1.029 173.710 174.900 -0.268 0.000 1.246 584 G CA -1.012 43.862 45.100 -0.376 0.000 1.012 584 G HN 0.957 nan 8.290 nan 0.000 0.494 585 Y N -2.385 117.916 120.300 0.001 0.000 4.668 585 Y HA -0.219 4.331 4.550 0.001 0.000 0.234 585 Y C 1.421 177.323 175.900 0.004 0.000 1.056 585 Y CA 1.066 59.171 58.100 0.008 0.000 2.025 585 Y CB -2.174 36.311 38.460 0.042 0.000 1.613 585 Y HN 0.542 nan 8.280 nan 0.000 0.653 586 Q N -0.014 119.789 119.800 0.005 0.000 2.118 586 Q HA 0.511 4.852 4.340 0.001 0.000 0.219 586 Q C 0.959 176.821 176.000 -0.230 0.000 0.794 586 Q CA 0.230 56.037 55.803 0.007 0.000 1.035 586 Q CB 1.706 30.456 28.738 0.020 0.000 1.177 586 Q HN 0.585 nan 8.270 nan 0.000 0.478 587 G N 0.816 109.348 108.800 -0.446 0.000 2.663 587 G HA2 -0.176 3.785 3.960 0.001 0.000 0.686 587 G HA3 -0.176 3.785 3.960 0.001 0.000 0.686 587 G C -0.548 173.975 174.900 -0.628 0.000 1.246 587 G CA -0.584 43.986 45.100 -0.883 0.000 0.795 587 G HN 0.100 nan 8.290 nan 0.000 0.627 588 D N 0.137 120.129 120.400 -0.680 0.000 2.264 588 D HA -0.051 4.590 4.640 0.001 0.000 0.208 588 D C 2.256 178.290 176.300 -0.443 0.000 0.966 588 D CA 1.426 54.990 54.000 -0.727 0.000 0.864 588 D CB 0.077 40.376 40.800 -0.835 0.000 0.933 588 D HN 0.586 nan 8.370 nan 0.000 0.499 589 K N 0.853 121.048 120.400 -0.343 0.000 2.147 589 K HA -0.059 4.262 4.320 0.001 0.000 0.205 589 K C 1.722 178.256 176.600 -0.110 0.000 1.049 589 K CA 1.035 57.214 56.287 -0.181 0.000 0.936 589 K CB -0.281 32.125 32.500 -0.157 0.000 0.722 589 K HN 0.162 nan 8.250 nan 0.000 0.446 590 I N -0.349 120.139 120.570 -0.137 0.000 2.628 590 I HA -0.025 4.145 4.170 0.001 0.000 0.255 590 I C 2.485 178.600 176.117 -0.004 0.000 1.119 590 I CA 0.655 61.947 61.300 -0.014 0.000 1.448 590 I CB -0.090 37.912 38.000 0.004 0.000 1.133 590 I HN 0.225 nan 8.210 nan 0.000 0.438 591 M N 0.070 119.597 119.600 -0.123 0.000 2.175 591 M HA -0.210 4.271 4.480 0.001 0.000 0.264 591 M C 1.735 178.084 176.300 0.082 0.000 1.063 591 M CA 1.979 57.233 55.300 -0.076 0.000 1.119 591 M CB -0.238 32.219 32.600 -0.238 0.000 1.377 591 M HN 0.272 nan 8.290 nan 0.000 0.415 592 H N -0.854 118.126 119.070 -0.150 0.000 2.539 592 H HA 0.211 4.767 4.556 0.001 0.000 0.267 592 H C 1.844 177.192 175.328 0.033 0.000 0.982 592 H CA 0.107 56.070 56.048 -0.143 0.000 1.146 592 H CB 0.252 29.833 29.762 -0.303 0.000 1.382 592 H HN 0.515 nan 8.280 nan 0.000 0.577 593 A N 1.556 124.485 122.820 0.182 0.000 2.024 593 A HA -0.140 4.181 4.320 0.001 0.000 0.220 593 A C 2.052 179.851 177.584 0.358 0.000 1.164 593 A CA 1.127 53.292 52.037 0.213 0.000 0.643 593 A CB -0.664 18.421 19.000 0.142 0.000 0.806 593 A HN 0.576 nan 8.150 nan 0.000 0.451 594 I N -2.986 117.763 120.570 0.299 0.000 3.861 594 I HA 0.143 4.314 4.170 0.001 0.000 0.329 594 I C 0.395 176.606 176.117 0.156 0.000 1.321 594 I CA -0.453 60.976 61.300 0.216 0.000 1.126 594 I CB -0.532 37.558 38.000 0.149 0.000 1.018 594 I HN 0.189 nan 8.210 nan 0.000 0.407 595 N N 3.138 121.968 118.700 0.217 0.000 2.411 595 N HA -0.060 4.681 4.740 0.001 0.000 0.261 595 N C 0.217 175.764 175.510 0.062 0.000 1.248 595 N CA 0.348 53.524 53.050 0.211 0.000 0.885 595 N CB 0.364 38.927 38.487 0.126 0.000 1.062 595 N HN 0.431 nan 8.380 nan 0.000 0.471 596 R N 1.061 121.581 120.500 0.035 0.000 4.000 596 R HA -0.199 4.142 4.340 0.001 0.000 0.362 596 R C -0.292 175.921 176.300 -0.145 0.000 1.183 596 R CA 0.965 57.046 56.100 -0.031 0.000 1.011 596 R CB -1.043 29.247 30.300 -0.015 0.000 1.501 596 R HN 0.640 nan 8.270 nan 0.000 0.553 597 R N 0.538 120.938 120.500 -0.167 0.000 2.647 597 R HA 0.320 4.661 4.340 0.001 0.000 0.295 597 R C -0.485 175.805 176.300 -0.017 0.000 1.267 597 R CA -0.247 55.618 56.100 -0.392 0.000 1.386 597 R CB 0.697 30.696 30.300 -0.501 0.000 1.309 597 R HN 0.018 nan 8.270 nan 0.000 0.692 598 L N -0.237 121.068 121.223 0.137 0.000 2.467 598 L HA 0.258 4.599 4.340 0.001 0.000 0.270 598 L C 1.334 178.431 176.870 0.378 0.000 1.205 598 L CA 0.804 55.733 54.840 0.148 0.000 0.828 598 L CB 0.619 42.566 42.059 -0.187 0.000 1.101 598 L HN 0.716 nan 8.230 nan 0.000 0.479 599 G N 0.642 109.698 108.800 0.426 0.000 2.136 599 G HA2 -0.292 3.669 3.960 0.001 0.000 0.242 599 G HA3 -0.292 3.669 3.960 0.001 0.000 0.242 599 G C 0.456 175.434 174.900 0.130 0.000 0.989 599 G CA 0.603 45.896 45.100 0.322 0.000 0.682 599 G HN 0.856 nan 8.290 nan 0.000 0.522 600 T N -3.567 111.024 114.554 0.062 0.000 3.330 600 T HA 0.476 4.826 4.350 0.001 0.000 0.185 600 T C 1.677 176.360 174.700 -0.029 0.000 0.874 600 T CA 0.971 63.011 62.100 -0.101 0.000 1.268 600 T CB -0.054 68.561 68.868 -0.422 0.000 1.866 600 T HN 0.151 nan 8.240 nan 0.000 0.395 601 F N 3.491 123.477 119.950 0.060 0.000 2.126 601 F HA 0.069 4.597 4.527 0.001 0.000 0.299 601 F C 2.833 178.663 175.800 0.050 0.000 1.096 601 F CA 1.266 59.291 58.000 0.041 0.000 1.255 601 F CB -0.759 38.262 39.000 0.034 0.000 0.997 601 F HN 0.517 nan 8.300 nan 0.000 0.479 602 E N 0.859 121.214 120.200 0.258 0.000 2.153 602 E HA -0.132 4.219 4.350 0.001 0.000 0.194 602 E C 2.101 178.805 176.600 0.174 0.000 0.988 602 E CA 1.524 58.046 56.400 0.203 0.000 0.811 602 E CB -1.073 28.748 29.700 0.203 0.000 0.746 602 E HN 0.302 nan 8.360 nan 0.000 0.466 603 V N 1.551 121.544 119.914 0.131 0.000 2.323 603 V HA -0.198 3.923 4.120 0.001 0.000 0.244 603 V C 2.319 178.450 176.094 0.061 0.000 1.041 603 V CA 2.098 64.430 62.300 0.055 0.000 1.025 603 V CB -0.592 31.216 31.823 -0.024 0.000 0.656 603 V HN 0.194 nan 8.190 nan 0.000 0.451 604 E N 0.198 120.451 120.200 0.088 0.000 2.110 604 E HA -0.229 4.121 4.350 0.001 0.000 0.193 604 E C 1.920 178.559 176.600 0.064 0.000 0.988 604 E CA 1.488 57.937 56.400 0.082 0.000 0.804 604 E CB -0.198 29.582 29.700 0.133 0.000 0.745 604 E HN 0.560 nan 8.360 nan 0.000 0.458 605 D N 0.310 120.768 120.400 0.097 0.000 2.178 605 D HA -0.137 4.504 4.640 0.001 0.000 0.201 605 D C 1.940 178.282 176.300 0.069 0.000 0.980 605 D CA 0.766 54.814 54.000 0.081 0.000 0.842 605 D CB -0.074 40.807 40.800 0.134 0.000 0.948 605 D HN 0.122 nan 8.370 nan 0.000 0.472 606 Q N 0.132 120.016 119.800 0.139 0.000 2.079 606 Q HA -0.021 4.319 4.340 0.001 0.000 0.200 606 Q C 2.582 178.623 176.000 0.068 0.000 0.974 606 Q CA 0.493 56.380 55.803 0.140 0.000 0.840 606 Q CB -0.154 28.684 28.738 0.167 0.000 0.898 606 Q HN 0.419 nan 8.270 nan 0.000 0.430 607 I N 0.910 121.534 120.570 0.090 0.000 2.286 607 I HA -0.239 3.932 4.170 0.001 0.000 0.248 607 I C 2.411 178.498 176.117 -0.049 0.000 1.115 607 I CA 0.962 62.350 61.300 0.147 0.000 1.392 607 I CB -0.174 37.899 38.000 0.123 0.000 1.065 607 I HN 0.125 nan 8.210 nan 0.000 0.418 608 E N 1.048 121.161 120.200 -0.146 0.000 2.051 608 E HA -0.193 4.158 4.350 0.001 0.000 0.192 608 E C 2.321 178.618 176.600 -0.505 0.000 0.991 608 E CA 1.521 57.762 56.400 -0.264 0.000 0.799 608 E CB -0.221 29.337 29.700 -0.238 0.000 0.748 608 E HN 0.458 nan 8.360 nan 0.000 0.449 609 A N 1.351 123.711 122.820 -0.766 0.000 1.865 609 A HA -0.187 4.134 4.320 0.001 0.000 0.217 609 A C 2.447 179.302 177.584 -1.215 0.000 1.191 609 A CA 2.652 53.900 52.037 -1.315 0.000 0.623 609 A CB -0.847 17.222 19.000 -1.552 0.000 0.826 609 A HN 0.307 nan 8.150 nan 0.000 0.444 610 A N -0.574 121.945 122.820 -0.502 0.000 1.883 610 A HA -0.203 4.117 4.320 0.001 0.000 0.217 610 A C 2.266 179.657 177.584 -0.323 0.000 1.186 610 A CA 1.906 53.813 52.037 -0.215 0.000 0.624 610 A CB -0.571 18.395 19.000 -0.056 0.000 0.822 610 A HN 0.566 nan 8.150 nan 0.000 0.444 611 R N -0.542 119.762 120.500 -0.327 0.000 2.096 611 R HA -0.210 4.131 4.340 0.001 0.000 0.240 611 R C 2.408 178.531 176.300 -0.294 0.000 1.139 611 R CA 2.024 57.960 56.100 -0.273 0.000 0.952 611 R CB -0.317 29.853 30.300 -0.217 0.000 0.854 611 R HN 0.707 nan 8.270 nan 0.000 0.436 612 Q N -0.890 118.656 119.800 -0.424 0.000 2.119 612 Q HA -0.149 4.192 4.340 0.001 0.000 0.201 612 Q C 1.914 177.725 176.000 -0.315 0.000 0.972 612 Q CA 1.334 56.896 55.803 -0.401 0.000 0.847 612 Q CB -0.027 28.409 28.738 -0.503 0.000 0.903 612 Q HN 0.326 nan 8.270 nan 0.000 0.433 613 F N 0.593 120.375 119.950 -0.279 0.000 2.234 613 F HA -0.137 4.391 4.527 0.001 0.000 0.299 613 F C 2.723 178.354 175.800 -0.281 0.000 1.087 613 F CA 1.202 59.029 58.000 -0.288 0.000 1.340 613 F CB -1.067 37.794 39.000 -0.232 0.000 1.031 613 F HN 0.062 nan 8.300 nan 0.000 0.500 614 S N -0.059 115.595 115.700 -0.076 0.000 2.442 614 S HA -0.158 4.313 4.470 0.001 0.000 0.236 614 S C 1.704 176.216 174.600 -0.148 0.000 1.007 614 S CA 0.858 58.983 58.200 -0.126 0.000 0.965 614 S CB -0.529 62.576 63.200 -0.157 0.000 0.773 614 S HN 0.401 nan 8.310 nan 0.000 0.504 615 K N 0.209 120.517 120.400 -0.153 0.000 2.459 615 K HA 0.255 4.576 4.320 0.001 0.000 0.193 615 K C 0.256 176.758 176.600 -0.162 0.000 1.030 615 K CA 0.121 56.323 56.287 -0.141 0.000 1.026 615 K CB -0.123 32.301 32.500 -0.126 0.000 0.809 615 K HN 0.492 nan 8.250 nan 0.000 0.504 616 M N -0.139 119.316 119.600 -0.242 0.000 2.242 616 M HA 0.064 4.545 4.480 0.001 0.000 0.344 616 M C 1.564 177.630 176.300 -0.390 0.000 1.140 616 M CA -0.088 54.989 55.300 -0.371 0.000 1.160 616 M CB 1.114 33.296 32.600 -0.697 0.000 1.491 616 M HN 0.106 nan 8.290 nan 0.000 0.459 617 G N 1.974 110.633 108.800 -0.235 0.000 2.462 617 G HA2 -0.201 3.759 3.960 0.001 0.000 0.220 617 G HA3 -0.201 3.759 3.960 0.001 0.000 0.220 617 G C 0.823 175.713 174.900 -0.016 0.000 1.121 617 G CA 0.782 45.833 45.100 -0.081 0.000 0.758 617 G HN 0.807 nan 8.290 nan 0.000 0.559 618 F N -0.350 119.668 119.950 0.113 0.000 2.732 618 F HA 0.592 5.120 4.527 0.001 0.000 0.303 618 F C -0.045 175.886 175.800 0.218 0.000 1.110 618 F CA -1.182 56.933 58.000 0.191 0.000 1.355 618 F CB -0.131 39.079 39.000 0.349 0.000 1.081 618 F HN -0.175 nan 8.300 nan 0.000 0.565 619 V N 1.756 121.617 119.914 -0.088 0.000 2.417 619 V HA 0.173 4.293 4.120 0.001 0.000 0.291 619 V C -0.685 175.371 176.094 -0.063 0.000 1.024 619 V CA -0.835 61.442 62.300 -0.038 0.000 0.861 619 V CB 1.431 33.166 31.823 -0.147 0.000 0.985 619 V HN 0.068 nan 8.190 nan 0.000 0.436 620 D N 4.246 124.612 120.400 -0.056 0.000 2.402 620 D HA 0.029 4.669 4.640 0.001 0.000 0.235 620 D C 1.315 177.553 176.300 -0.104 0.000 1.226 620 D CA -0.286 53.658 54.000 -0.093 0.000 0.918 620 D CB 0.508 41.233 40.800 -0.124 0.000 1.043 620 D HN 0.634 nan 8.370 nan 0.000 0.506 621 N N 3.445 122.086 118.700 -0.098 0.000 2.588 621 N HA -0.219 4.522 4.740 0.001 0.000 0.190 621 N C 0.682 176.139 175.510 -0.088 0.000 1.094 621 N CA 1.028 54.015 53.050 -0.104 0.000 0.921 621 N CB -0.166 38.258 38.487 -0.106 0.000 0.959 621 N HN 0.402 nan 8.380 nan 0.000 0.448 622 K N -0.472 119.883 120.400 -0.074 0.000 2.400 622 K HA 0.158 4.479 4.320 0.001 0.000 0.194 622 K C 0.189 176.775 176.600 -0.024 0.000 1.033 622 K CA 0.221 56.480 56.287 -0.045 0.000 1.021 622 K CB 0.405 32.882 32.500 -0.039 0.000 0.808 622 K HN 0.175 nan 8.250 nan 0.000 0.505 623 R N 1.351 121.806 120.500 -0.075 0.000 2.651 623 R HA 0.369 4.709 4.340 0.001 0.000 0.282 623 R C -0.935 175.321 176.300 -0.073 0.000 1.565 623 R CA -0.125 55.916 56.100 -0.098 0.000 1.661 623 R CB 0.570 30.625 30.300 -0.407 0.000 1.189 623 R HN 0.001 nan 8.270 nan 0.000 0.621 624 I N 1.109 121.755 120.570 0.127 0.000 2.436 624 I HA 0.575 4.746 4.170 0.001 0.000 0.289 624 I C -0.105 176.273 176.117 0.434 0.000 1.010 624 I CA -0.757 60.653 61.300 0.184 0.000 1.098 624 I CB 1.998 39.951 38.000 -0.078 0.000 1.266 624 I HN 0.345 nan 8.210 nan 0.000 0.434 625 A N 6.923 130.103 122.820 0.600 0.000 2.435 625 A HA 0.927 5.248 4.320 0.001 0.000 0.296 625 A C -1.245 176.705 177.584 0.610 0.000 1.147 625 A CA -0.645 51.746 52.037 0.590 0.000 0.775 625 A CB 2.164 21.387 19.000 0.371 0.000 1.340 625 A HN 0.723 nan 8.150 nan 0.000 0.427 626 I N 0.340 121.186 120.570 0.460 0.000 2.722 626 I HA 0.718 4.889 4.170 0.001 0.000 0.295 626 I C -1.930 174.447 176.117 0.434 0.000 1.161 626 I CA -0.589 60.917 61.300 0.344 0.000 1.032 626 I CB 1.718 39.668 38.000 -0.082 0.000 1.244 626 I HN 0.947 nan 8.210 nan 0.000 0.421 627 W N 6.950 128.385 121.300 0.225 0.000 3.137 627 W HA 0.843 5.504 4.660 0.001 0.000 0.324 627 W C -1.534 175.139 176.519 0.256 0.000 1.253 627 W CA -0.921 56.568 57.345 0.240 0.000 1.183 627 W CB 1.131 30.787 29.460 0.326 0.000 1.424 627 W HN 0.844 nan 8.180 nan 0.000 0.566 628 G N 0.835 109.614 108.800 -0.035 0.000 2.547 628 G HA2 0.464 4.425 3.960 0.001 0.000 0.291 628 G HA3 0.464 4.425 3.960 0.001 0.000 0.291 628 G C -2.827 172.061 174.900 -0.020 0.000 1.471 628 G CA -0.706 44.223 45.100 -0.285 0.000 0.798 628 G HN 0.618 nan 8.290 nan 0.000 0.504 629 W N 0.965 122.173 121.300 -0.153 0.000 2.761 629 W HA 0.592 5.253 4.660 0.001 0.000 0.340 629 W C 0.828 177.419 176.519 0.120 0.000 1.072 629 W CA 0.438 57.779 57.345 -0.006 0.000 1.215 629 W CB 1.761 31.213 29.460 -0.013 0.000 1.420 629 W HN 1.140 nan 8.180 nan 0.000 0.519 630 S N 1.641 117.661 115.700 0.533 0.000 4.114 630 S HA -0.435 4.036 4.470 0.001 0.000 0.618 630 S C 0.825 175.546 174.600 0.201 0.000 1.937 630 S CA 1.677 60.166 58.200 0.483 0.000 4.228 630 S CB -1.573 62.052 63.200 0.707 0.000 0.216 630 S HN 0.756 nan 8.310 nan 0.000 0.528 631 Y N 3.062 123.364 120.300 0.003 0.000 2.207 631 Y HA -0.029 4.522 4.550 0.001 0.000 0.287 631 Y C 2.446 178.263 175.900 -0.138 0.000 1.156 631 Y CA 2.238 60.228 58.100 -0.182 0.000 1.182 631 Y CB -1.020 37.113 38.460 -0.544 0.000 0.979 631 Y HN 0.552 nan 8.280 nan 0.000 0.521 632 G N -1.041 107.772 108.800 0.021 0.000 2.448 632 G HA2 -0.211 3.750 3.960 0.001 0.000 0.219 632 G HA3 -0.211 3.750 3.960 0.001 0.000 0.219 632 G C 1.887 176.824 174.900 0.061 0.000 1.127 632 G CA 0.720 45.869 45.100 0.082 0.000 0.766 632 G HN 0.584 nan 8.290 nan 0.000 0.552 633 G N -0.183 108.663 108.800 0.077 0.000 2.408 633 G HA2 -0.205 3.756 3.960 0.001 0.000 0.217 633 G HA3 -0.205 3.756 3.960 0.001 0.000 0.217 633 G C 1.576 176.498 174.900 0.037 0.000 1.150 633 G CA 1.029 46.159 45.100 0.050 0.000 0.776 633 G HN 0.416 nan 8.290 nan 0.000 0.542 634 Y N 1.390 121.586 120.300 -0.174 0.000 2.114 634 Y HA -0.108 4.443 4.550 0.001 0.000 0.284 634 Y C 2.760 178.557 175.900 -0.171 0.000 1.143 634 Y CA 1.574 59.518 58.100 -0.261 0.000 1.135 634 Y CB -0.508 37.640 38.460 -0.521 0.000 0.980 634 Y HN 0.022 nan 8.280 nan 0.000 0.499 635 V N -0.204 119.566 119.914 -0.240 0.000 2.295 635 V HA -0.337 3.783 4.120 0.001 0.000 0.246 635 V C 2.339 178.316 176.094 -0.195 0.000 1.049 635 V CA 2.476 64.634 62.300 -0.237 0.000 1.024 635 V CB -1.214 30.622 31.823 0.022 0.000 0.648 635 V HN 0.497 nan 8.190 nan 0.000 0.447 636 T N -0.149 114.349 114.554 -0.094 0.000 2.720 636 T HA -0.198 4.152 4.350 0.001 0.000 0.268 636 T C 2.123 176.768 174.700 -0.091 0.000 1.037 636 T CA 2.018 64.077 62.100 -0.069 0.000 1.144 636 T CB -0.253 68.653 68.868 0.064 0.000 0.864 636 T HN 0.532 nan 8.240 nan 0.000 0.444 637 S N 0.957 116.633 115.700 -0.040 0.000 2.368 637 S HA 0.028 4.499 4.470 0.001 0.000 0.224 637 S C 2.118 176.642 174.600 -0.127 0.000 1.029 637 S CA 0.844 59.053 58.200 0.016 0.000 0.988 637 S CB -0.236 63.017 63.200 0.089 0.000 0.838 637 S HN 0.333 nan 8.310 nan 0.000 0.462 638 M N 0.966 120.396 119.600 -0.284 0.000 2.229 638 M HA -0.011 4.470 4.480 0.001 0.000 0.264 638 M C 2.155 178.292 176.300 -0.271 0.000 1.063 638 M CA 0.994 56.105 55.300 -0.314 0.000 1.114 638 M CB -1.273 31.033 32.600 -0.490 0.000 1.387 638 M HN 0.179 nan 8.290 nan 0.000 0.420 639 V N 0.603 120.344 119.914 -0.287 0.000 2.307 639 V HA -0.222 3.899 4.120 0.001 0.000 0.245 639 V C 2.469 178.347 176.094 -0.360 0.000 1.045 639 V CA 1.313 63.432 62.300 -0.302 0.000 1.024 639 V CB -0.609 30.956 31.823 -0.430 0.000 0.651 639 V HN 0.401 nan 8.190 nan 0.000 0.449 640 L N 0.450 121.398 121.223 -0.458 0.000 2.265 640 L HA -0.052 4.289 4.340 0.001 0.000 0.215 640 L C 2.078 178.367 176.870 -0.969 0.000 1.117 640 L CA 1.406 55.870 54.840 -0.627 0.000 0.782 640 L CB -0.635 41.027 42.059 -0.662 0.000 0.914 640 L HN 0.496 nan 8.230 nan 0.000 0.441 641 G N -1.527 106.772 108.800 -0.836 0.000 3.434 641 G HA2 0.007 3.968 3.960 0.001 0.000 0.258 641 G HA3 0.007 3.968 3.960 0.001 0.000 0.258 641 G C 1.367 176.106 174.900 -0.268 0.000 1.128 641 G CA 0.522 45.241 45.100 -0.635 0.000 0.792 641 G HN 0.395 nan 8.290 nan 0.000 0.539 642 S N -0.760 114.801 115.700 -0.233 0.000 2.470 642 S HA 0.302 4.772 4.470 0.001 0.000 0.225 642 S C 1.923 176.475 174.600 -0.080 0.000 1.006 642 S CA 1.010 59.138 58.200 -0.120 0.000 0.934 642 S CB -0.057 63.090 63.200 -0.087 0.000 0.778 642 S HN 1.362 nan 8.310 nan 0.000 0.517 643 G N 1.434 110.176 108.800 -0.097 0.000 2.147 643 G HA2 -0.328 3.633 3.960 0.001 0.000 0.244 643 G HA3 -0.328 3.633 3.960 0.001 0.000 0.244 643 G C 0.912 175.799 174.900 -0.022 0.000 1.005 643 G CA 0.866 45.933 45.100 -0.055 0.000 0.713 643 G HN 1.252 nan 8.290 nan 0.000 0.515 644 S N -0.822 114.877 115.700 -0.000 0.000 2.428 644 S HA 0.319 4.790 4.470 0.001 0.000 0.230 644 S C 2.532 177.139 174.600 0.012 0.000 1.014 644 S CA 1.592 59.805 58.200 0.021 0.000 0.957 644 S CB -0.162 63.082 63.200 0.072 0.000 0.784 644 S HN 2.390 nan 8.310 nan 0.000 0.499 645 G N 0.183 108.998 108.800 0.025 0.000 2.184 645 G HA2 -0.298 3.663 3.960 0.001 0.000 0.264 645 G HA3 -0.298 3.663 3.960 0.001 0.000 0.264 645 G C 0.764 175.648 174.900 -0.027 0.000 0.975 645 G CA 0.434 45.537 45.100 0.006 0.000 0.642 645 G HN 0.709 nan 8.290 nan 0.000 0.536 646 V N -0.512 119.367 119.914 -0.059 0.000 2.719 646 V HA 0.258 4.378 4.120 0.001 0.000 0.252 646 V C 1.189 177.006 176.094 -0.462 0.000 1.065 646 V CA 1.390 63.504 62.300 -0.311 0.000 1.086 646 V CB -0.378 31.127 31.823 -0.531 0.000 0.700 646 V HN 0.320 nan 8.190 nan 0.000 0.467 647 F N -0.174 119.788 119.950 0.019 0.000 2.421 647 F HA 0.405 4.933 4.527 0.001 0.000 0.337 647 F C 1.108 176.949 175.800 0.069 0.000 1.105 647 F CA -0.532 57.505 58.000 0.062 0.000 1.049 647 F CB 1.509 40.546 39.000 0.063 0.000 1.139 647 F HN -0.275 nan 8.300 nan 0.000 0.479 648 K N 1.457 122.014 120.400 0.261 0.000 2.166 648 K HA 0.129 4.450 4.320 0.001 0.000 0.201 648 K C -0.129 176.602 176.600 0.218 0.000 1.052 648 K CA 0.822 57.228 56.287 0.198 0.000 0.969 648 K CB 0.289 32.903 32.500 0.189 0.000 0.761 648 K HN 0.802 nan 8.250 nan 0.000 0.459 649 c N -2.764 116.006 118.600 0.282 0.000 3.321 649 c HA 0.893 5.463 4.570 0.001 0.000 0.329 649 c C -0.281 174.038 174.090 0.383 0.000 1.394 649 c CA -0.594 55.925 56.329 0.316 0.000 1.291 649 c CB 1.110 43.733 42.510 0.189 0.000 1.606 649 c HN 0.339 nan 8.230 nan 0.000 0.463 650 G N 0.032 109.123 108.800 0.484 0.000 2.673 650 G HA2 0.717 4.678 3.960 0.001 0.000 0.292 650 G HA3 0.717 4.678 3.960 0.001 0.000 0.292 650 G C -1.965 173.190 174.900 0.426 0.000 1.450 650 G CA -0.704 44.654 45.100 0.430 0.000 0.837 650 G HN 1.026 nan 8.290 nan 0.000 0.505 651 I N 0.593 121.380 120.570 0.362 0.000 2.498 651 I HA 0.630 4.801 4.170 0.001 0.000 0.290 651 I C 0.100 176.353 176.117 0.227 0.000 1.032 651 I CA -1.035 60.367 61.300 0.170 0.000 1.073 651 I CB 2.284 40.362 38.000 0.130 0.000 1.251 651 I HN 0.655 nan 8.210 nan 0.000 0.426 652 A N 6.380 129.224 122.820 0.039 0.000 2.304 652 A HA 0.771 5.091 4.320 0.001 0.000 0.314 652 A C -0.795 176.702 177.584 -0.146 0.000 1.187 652 A CA -0.506 51.551 52.037 0.033 0.000 0.810 652 A CB 1.158 20.231 19.000 0.122 0.000 1.183 652 A HN 0.442 nan 8.150 nan 0.000 0.487 653 V N 2.165 121.943 119.914 -0.226 0.000 2.384 653 V HA 0.571 4.692 4.120 0.001 0.000 0.287 653 V C 0.908 176.598 176.094 -0.672 0.000 1.020 653 V CA 0.271 62.203 62.300 -0.613 0.000 0.850 653 V CB 0.776 31.899 31.823 -1.168 0.000 0.987 653 V HN 2.084 nan 8.190 nan 0.000 0.436 654 A N 5.738 128.155 122.820 -0.670 0.000 2.415 654 A HA -0.106 4.215 4.320 0.001 0.000 0.292 654 A C -1.780 175.695 177.584 -0.182 0.000 1.452 654 A CA 0.542 52.112 52.037 -0.779 0.000 0.750 654 A CB -1.475 17.142 19.000 -0.638 0.000 1.099 654 A HN 0.615 nan 8.150 nan 0.000 0.391 655 P HA 0.488 nan 4.420 nan 0.000 0.281 655 P C 0.042 177.311 177.300 -0.051 0.000 1.264 655 P CA -0.402 62.688 63.100 -0.018 0.000 0.824 655 P CB 1.461 33.164 31.700 0.006 0.000 1.092 656 V N 1.762 121.538 119.914 -0.229 0.000 2.649 656 V HA 0.110 4.231 4.120 0.001 0.000 0.292 656 V C 1.687 177.561 176.094 -0.367 0.000 1.055 656 V CA 0.856 62.864 62.300 -0.486 0.000 1.023 656 V CB 0.890 32.020 31.823 -1.156 0.000 0.992 656 V HN 0.849 nan 8.190 nan 0.000 0.480 657 S N 4.090 119.613 115.700 -0.295 0.000 2.575 657 S HA 0.241 4.712 4.470 0.001 0.000 0.230 657 S C 0.462 174.886 174.600 -0.294 0.000 1.062 657 S CA -0.313 57.788 58.200 -0.165 0.000 0.913 657 S CB 0.313 63.486 63.200 -0.046 0.000 0.837 657 S HN 0.835 nan 8.310 nan 0.000 0.487 658 R N -1.133 119.063 120.500 -0.507 0.000 2.515 658 R HA 0.452 4.793 4.340 0.001 0.000 0.278 658 R C -0.935 175.011 176.300 -0.591 0.000 1.107 658 R CA -0.815 54.937 56.100 -0.581 0.000 0.945 658 R CB -0.285 29.625 30.300 -0.649 0.000 1.219 658 R HN 0.125 nan 8.270 nan 0.000 0.434 659 W N 1.630 122.814 121.300 -0.193 0.000 2.387 659 W HA -0.052 4.609 4.660 0.001 0.000 0.272 659 W C 1.114 177.737 176.519 0.173 0.000 1.224 659 W CA 0.952 58.272 57.345 -0.042 0.000 1.210 659 W CB 0.215 29.563 29.460 -0.186 0.000 1.125 659 W HN 0.730 nan 8.180 nan 0.000 0.572 660 E N -1.065 119.279 120.200 0.241 0.000 2.409 660 E HA -0.186 4.164 4.350 0.001 0.000 0.198 660 E C 1.243 177.977 176.600 0.223 0.000 1.024 660 E CA 0.760 57.268 56.400 0.181 0.000 0.861 660 E CB -0.195 29.509 29.700 0.007 0.000 0.788 660 E HN 0.383 nan 8.360 nan 0.000 0.521 661 Y N -1.542 118.843 120.300 0.141 0.000 2.517 661 Y HA 0.052 4.603 4.550 0.001 0.000 0.281 661 Y C 0.716 176.709 175.900 0.155 0.000 1.125 661 Y CA -0.285 57.870 58.100 0.093 0.000 1.283 661 Y CB -0.431 38.026 38.460 -0.005 0.000 1.042 661 Y HN 0.012 nan 8.280 nan 0.000 0.547 662 Y N 2.157 122.601 120.300 0.240 0.000 2.334 662 Y HA 0.265 4.816 4.550 0.001 0.000 0.325 662 Y C 0.361 176.458 175.900 0.327 0.000 1.308 662 Y CA -2.051 56.200 58.100 0.252 0.000 1.389 662 Y CB 0.334 38.979 38.460 0.307 0.000 1.328 662 Y HN 0.208 nan 8.280 nan 0.000 0.532 663 D N -0.259 119.798 120.400 -0.571 0.000 2.423 663 D HA 0.062 4.703 4.640 0.001 0.000 0.238 663 D C 0.953 177.204 176.300 -0.081 0.000 1.142 663 D CA 0.448 54.186 54.000 -0.436 0.000 0.884 663 D CB 0.901 41.234 40.800 -0.779 0.000 1.199 663 D HN 0.496 nan 8.370 nan 0.000 0.438 664 S N 1.556 117.226 115.700 -0.050 0.000 2.353 664 S HA -0.239 4.232 4.470 0.001 0.000 0.222 664 S C 1.956 176.572 174.600 0.026 0.000 1.035 664 S CA 1.228 59.458 58.200 0.049 0.000 1.025 664 S CB -1.064 62.173 63.200 0.061 0.000 0.902 664 S HN 0.444 nan 8.310 nan 0.000 0.440 665 V N 0.833 120.701 119.914 -0.077 0.000 2.324 665 V HA -0.200 3.921 4.120 0.001 0.000 0.250 665 V C 2.323 178.323 176.094 -0.158 0.000 1.060 665 V CA 2.342 64.502 62.300 -0.233 0.000 1.042 665 V CB -1.113 30.411 31.823 -0.497 0.000 0.650 665 V HN 0.625 nan 8.190 nan 0.000 0.450 666 Y N 1.149 121.379 120.300 -0.117 0.000 2.206 666 Y HA -0.173 4.377 4.550 0.001 0.000 0.292 666 Y C 2.694 178.592 175.900 -0.003 0.000 1.123 666 Y CA 2.130 60.234 58.100 0.007 0.000 1.142 666 Y CB -0.444 38.213 38.460 0.329 0.000 1.006 666 Y HN 0.217 nan 8.280 nan 0.000 0.518 667 T N 0.322 115.089 114.554 0.354 0.000 2.674 667 T HA -0.182 4.169 4.350 0.001 0.000 0.265 667 T C 1.557 176.228 174.700 -0.048 0.000 1.039 667 T CA 1.877 64.106 62.100 0.214 0.000 1.150 667 T CB -0.310 68.832 68.868 0.457 0.000 0.864 667 T HN 0.412 nan 8.240 nan 0.000 0.427 668 E N 0.650 120.857 120.200 0.013 0.000 2.204 668 E HA -0.118 4.232 4.350 0.001 0.000 0.195 668 E C 2.339 178.825 176.600 -0.190 0.000 0.990 668 E CA 0.472 56.871 56.400 -0.001 0.000 0.821 668 E CB -0.129 29.612 29.700 0.068 0.000 0.750 668 E HN 0.341 nan 8.360 nan 0.000 0.477 669 R N 0.132 120.360 120.500 -0.454 0.000 2.105 669 R HA -0.190 4.151 4.340 0.001 0.000 0.239 669 R C 1.181 176.941 176.300 -0.900 0.000 1.135 669 R CA 1.554 57.192 56.100 -0.771 0.000 0.967 669 R CB 0.020 29.525 30.300 -1.324 0.000 0.861 669 R HN 0.242 nan 8.270 nan 0.000 0.442 670 Y N -2.023 117.964 120.300 -0.522 0.000 2.498 670 Y HA 0.225 4.776 4.550 0.001 0.000 0.259 670 Y C 1.715 177.432 175.900 -0.305 0.000 1.086 670 Y CA 0.030 57.816 58.100 -0.524 0.000 1.287 670 Y CB 0.438 38.445 38.460 -0.754 0.000 1.146 670 Y HN -0.055 nan 8.280 nan 0.000 0.523 671 M N -0.293 119.204 119.600 -0.171 0.000 2.337 671 M HA 0.360 4.841 4.480 0.001 0.000 0.256 671 M C 0.980 177.316 176.300 0.060 0.000 1.075 671 M CA 0.717 55.930 55.300 -0.146 0.000 1.024 671 M CB -0.347 31.972 32.600 -0.468 0.000 1.429 671 M HN 0.323 nan 8.290 nan 0.000 0.497 672 G N 1.945 110.785 108.800 0.066 0.000 2.752 672 G HA2 -0.243 3.717 3.960 0.001 0.000 0.234 672 G HA3 -0.243 3.717 3.960 0.001 0.000 0.234 672 G C -0.447 174.586 174.900 0.222 0.000 1.367 672 G CA -0.775 44.396 45.100 0.118 0.000 0.879 672 G HN 0.366 nan 8.290 nan 0.000 0.563 673 L N 1.690 123.001 121.223 0.146 0.000 2.371 673 L HA 0.393 4.734 4.340 0.001 0.000 0.272 673 L C -1.312 175.557 176.870 -0.002 0.000 1.124 673 L CA -1.574 53.310 54.840 0.072 0.000 0.816 673 L CB 1.501 43.572 42.059 0.020 0.000 1.129 673 L HN 0.469 nan 8.230 nan 0.000 0.448 674 P HA 0.084 nan 4.420 nan 0.000 0.212 674 P C -0.559 176.584 177.300 -0.263 0.000 1.816 674 P CA -0.144 62.554 63.100 -0.670 0.000 0.944 674 P CB -0.248 30.624 31.700 -1.380 0.000 1.896 675 T N -2.792 111.698 114.554 -0.106 0.000 2.908 675 T HA 0.462 4.812 4.350 0.001 0.000 0.290 675 T C -1.995 172.699 174.700 -0.010 0.000 1.034 675 T CA -2.423 59.646 62.100 -0.052 0.000 1.010 675 T CB 2.027 70.875 68.868 -0.032 0.000 1.068 675 T HN -0.200 nan 8.240 nan 0.000 0.481 676 P HA -0.074 nan 4.420 nan 0.000 0.220 676 P C 0.582 177.895 177.300 0.021 0.000 1.148 676 P CA 1.120 64.230 63.100 0.016 0.000 0.803 676 P CB 0.107 31.813 31.700 0.010 0.000 0.782 677 E N -0.887 119.321 120.200 0.014 0.000 2.482 677 E HA -0.044 4.306 4.350 0.001 0.000 0.196 677 E C 1.406 178.021 176.600 0.024 0.000 1.047 677 E CA 0.526 56.935 56.400 0.015 0.000 0.869 677 E CB -0.291 29.413 29.700 0.007 0.000 0.836 677 E HN 0.307 nan 8.360 nan 0.000 0.520 678 D N -0.249 120.172 120.400 0.034 0.000 3.012 678 D HA 0.070 4.710 4.640 0.001 0.000 0.230 678 D C 0.170 176.523 176.300 0.088 0.000 1.477 678 D CA 0.176 54.208 54.000 0.053 0.000 1.329 678 D CB 0.075 40.907 40.800 0.053 0.000 0.951 678 D HN 0.006 nan 8.370 nan 0.000 0.224 679 N N -0.005 118.779 118.700 0.139 0.000 2.307 679 N HA 0.082 4.823 4.740 0.001 0.000 0.248 679 N C 0.965 176.665 175.510 0.318 0.000 1.322 679 N CA -0.072 53.109 53.050 0.219 0.000 0.861 679 N CB 0.200 38.838 38.487 0.251 0.000 1.303 679 N HN 0.081 nan 8.380 nan 0.000 0.498 680 L N 0.616 121.946 121.223 0.179 0.000 2.013 680 L HA -0.130 4.211 4.340 0.001 0.000 0.212 680 L C 1.228 178.208 176.870 0.183 0.000 1.073 680 L CA 2.058 56.980 54.840 0.136 0.000 0.753 680 L CB -0.529 41.544 42.059 0.023 0.000 0.890 680 L HN 0.184 nan 8.230 nan 0.000 0.432 681 D N -1.430 119.056 120.400 0.145 0.000 2.133 681 D HA -0.268 4.373 4.640 0.001 0.000 0.195 681 D C 2.047 178.444 176.300 0.162 0.000 0.997 681 D CA 1.797 55.873 54.000 0.127 0.000 0.840 681 D CB -0.219 40.644 40.800 0.104 0.000 0.947 681 D HN 0.599 nan 8.370 nan 0.000 0.452 682 H N -0.835 118.302 119.070 0.112 0.000 2.495 682 H HA -0.049 4.508 4.556 0.001 0.000 0.287 682 H C 1.633 177.023 175.328 0.102 0.000 1.033 682 H CA 1.045 57.136 56.048 0.071 0.000 1.307 682 H CB -0.257 29.513 29.762 0.013 0.000 1.401 682 H HN 0.162 nan 8.280 nan 0.000 0.555 683 Y N 0.063 120.327 120.300 -0.061 0.000 2.242 683 Y HA -0.121 4.430 4.550 0.001 0.000 0.291 683 Y C 2.273 178.126 175.900 -0.079 0.000 1.137 683 Y CA 1.137 59.205 58.100 -0.054 0.000 1.181 683 Y CB 0.211 38.680 38.460 0.016 0.000 0.989 683 Y HN 0.105 nan 8.280 nan 0.000 0.527 684 R N 0.337 120.904 120.500 0.111 0.000 2.153 684 R HA -0.047 4.293 4.340 0.001 0.000 0.218 684 R C 0.767 177.066 176.300 -0.001 0.000 1.072 684 R CA 1.270 57.395 56.100 0.041 0.000 0.990 684 R CB -0.910 29.417 30.300 0.045 0.000 0.889 684 R HN 0.567 nan 8.270 nan 0.000 0.452 685 N N -0.642 118.045 118.700 -0.022 0.000 2.238 685 N HA -0.038 4.702 4.740 0.001 0.000 0.222 685 N C 0.137 175.617 175.510 -0.050 0.000 1.133 685 N CA 0.024 53.064 53.050 -0.016 0.000 0.854 685 N CB 0.501 39.006 38.487 0.030 0.000 1.041 685 N HN -0.063 nan 8.380 nan 0.000 0.510 686 S N -1.682 113.944 115.700 -0.122 0.000 2.588 686 S HA 0.139 4.609 4.470 0.001 0.000 0.245 686 S C 0.372 175.009 174.600 0.060 0.000 1.021 686 S CA -0.511 57.652 58.200 -0.062 0.000 1.006 686 S CB -0.929 62.119 63.200 -0.253 0.000 0.830 686 S HN 0.324 nan 8.310 nan 0.000 0.468 687 T N -1.713 112.838 114.554 -0.005 0.000 2.934 687 T HA 0.572 4.923 4.350 0.001 0.000 0.283 687 T C 1.277 175.968 174.700 -0.015 0.000 1.005 687 T CA -0.620 61.465 62.100 -0.025 0.000 1.041 687 T CB 1.371 70.191 68.868 -0.080 0.000 1.042 687 T HN -0.057 nan 8.240 nan 0.000 0.505 688 V N 1.573 121.472 119.914 -0.024 0.000 2.323 688 V HA -0.116 4.005 4.120 0.001 0.000 0.244 688 V C 2.688 178.754 176.094 -0.046 0.000 1.041 688 V CA 1.660 63.939 62.300 -0.036 0.000 1.025 688 V CB -0.971 30.821 31.823 -0.051 0.000 0.656 688 V HN 0.829 nan 8.190 nan 0.000 0.451 689 M N 1.374 120.931 119.600 -0.071 0.000 2.108 689 M HA -0.219 4.262 4.480 0.001 0.000 0.257 689 M C 2.353 178.627 176.300 -0.042 0.000 1.071 689 M CA 2.390 57.644 55.300 -0.075 0.000 1.093 689 M CB -1.137 31.428 32.600 -0.058 0.000 1.345 689 M HN 0.551 nan 8.290 nan 0.000 0.403 690 S N -0.232 115.453 115.700 -0.024 0.000 2.469 690 S HA -0.103 4.368 4.470 0.001 0.000 0.238 690 S C 1.776 176.382 174.600 0.010 0.000 0.998 690 S CA 0.798 58.993 58.200 -0.007 0.000 0.957 690 S CB -0.461 62.735 63.200 -0.006 0.000 0.764 690 S HN 0.575 nan 8.310 nan 0.000 0.514 691 R N 0.565 121.081 120.500 0.028 0.000 2.359 691 R HA 0.444 4.785 4.340 0.001 0.000 0.231 691 R C 2.272 178.668 176.300 0.161 0.000 0.913 691 R CA 0.415 56.556 56.100 0.069 0.000 1.075 691 R CB -0.329 30.006 30.300 0.060 0.000 1.087 691 R HN 0.480 nan 8.270 nan 0.000 0.515 692 A N 1.915 124.789 122.820 0.090 0.000 1.896 692 A HA -0.331 3.990 4.320 0.001 0.000 0.220 692 A C 2.021 179.703 177.584 0.165 0.000 1.206 692 A CA 2.096 54.169 52.037 0.059 0.000 0.647 692 A CB -0.420 18.545 19.000 -0.058 0.000 0.828 692 A HN 0.298 nan 8.150 nan 0.000 0.455 693 E N 0.259 120.518 120.200 0.097 0.000 2.147 693 E HA -0.211 4.140 4.350 0.001 0.000 0.199 693 E C 1.576 178.235 176.600 0.098 0.000 1.005 693 E CA 1.711 58.161 56.400 0.084 0.000 0.810 693 E CB -0.231 29.498 29.700 0.049 0.000 0.736 693 E HN 0.634 nan 8.360 nan 0.000 0.460 694 N N -0.645 118.108 118.700 0.088 0.000 2.550 694 N HA -0.098 4.643 4.740 0.001 0.000 0.186 694 N C 0.748 176.229 175.510 -0.049 0.000 1.110 694 N CA 0.492 53.543 53.050 0.001 0.000 0.912 694 N CB -0.155 38.288 38.487 -0.073 0.000 0.968 694 N HN 0.245 nan 8.380 nan 0.000 0.448 695 F N 1.315 121.228 119.950 -0.063 0.000 2.748 695 F HA 0.084 4.611 4.527 0.001 0.000 0.299 695 F C 1.964 177.771 175.800 0.010 0.000 1.154 695 F CA 0.406 58.365 58.000 -0.068 0.000 1.446 695 F CB 0.201 39.121 39.000 -0.134 0.000 1.112 695 F HN -0.072 nan 8.300 nan 0.000 0.584 696 K N 0.016 120.512 120.400 0.159 0.000 2.152 696 K HA -0.193 4.128 4.320 0.001 0.000 0.206 696 K C 1.384 178.045 176.600 0.102 0.000 1.048 696 K CA 1.166 57.529 56.287 0.128 0.000 0.933 696 K CB -0.180 32.374 32.500 0.091 0.000 0.721 696 K HN 0.389 nan 8.250 nan 0.000 0.447 697 Q N 0.643 120.482 119.800 0.064 0.000 2.280 697 Q HA 0.052 4.393 4.340 0.001 0.000 0.202 697 Q C 0.030 176.070 176.000 0.068 0.000 0.903 697 Q CA 0.009 55.845 55.803 0.055 0.000 0.948 697 Q CB 0.627 29.382 28.738 0.029 0.000 1.058 697 Q HN 0.131 nan 8.270 nan 0.000 0.493 698 V N -3.616 116.354 119.914 0.094 0.000 3.141 698 V HA 0.518 4.639 4.120 0.001 0.000 0.312 698 V C -1.020 175.215 176.094 0.234 0.000 1.157 698 V CA -1.242 61.138 62.300 0.133 0.000 1.041 698 V CB 2.393 34.257 31.823 0.067 0.000 1.071 698 V HN -0.035 nan 8.190 nan 0.000 0.441 699 E N 1.084 121.459 120.200 0.292 0.000 2.133 699 E HA 0.449 4.800 4.350 0.001 0.000 0.274 699 E C -2.014 174.966 176.600 0.632 0.000 0.930 699 E CA -0.436 56.215 56.400 0.419 0.000 0.770 699 E CB 1.980 31.867 29.700 0.313 0.000 1.104 699 E HN 0.688 nan 8.360 nan 0.000 0.403 700 Y N 3.559 124.119 120.300 0.434 0.000 2.364 700 Y HA 0.427 4.978 4.550 0.001 0.000 0.340 700 Y C -1.575 174.389 175.900 0.107 0.000 0.975 700 Y CA -1.411 56.881 58.100 0.320 0.000 1.089 700 Y CB 0.996 39.684 38.460 0.379 0.000 1.192 700 Y HN 0.401 nan 8.280 nan 0.000 0.454 701 L N 7.892 128.844 121.223 -0.451 0.000 2.325 701 L HA 0.598 4.938 4.340 0.001 0.000 0.281 701 L C -2.160 174.264 176.870 -0.743 0.000 1.004 701 L CA -0.851 53.558 54.840 -0.718 0.000 0.823 701 L CB 1.318 42.609 42.059 -1.279 0.000 1.236 701 L HN 0.627 nan 8.230 nan 0.000 0.415 702 L N 6.791 127.651 121.223 -0.604 0.000 2.325 702 L HA 0.689 5.030 4.340 0.001 0.000 0.281 702 L C -1.129 175.603 176.870 -0.230 0.000 1.004 702 L CA -0.073 54.450 54.840 -0.529 0.000 0.823 702 L CB 1.123 42.835 42.059 -0.580 0.000 1.236 702 L HN 0.581 nan 8.230 nan 0.000 0.415 703 I N 4.374 124.823 120.570 -0.201 0.000 2.646 703 I HA 0.529 4.699 4.170 0.001 0.000 0.299 703 I C -1.051 175.055 176.117 -0.019 0.000 1.036 703 I CA -0.784 60.457 61.300 -0.098 0.000 1.074 703 I CB 2.066 39.978 38.000 -0.147 0.000 1.258 703 I HN 0.691 nan 8.210 nan 0.000 0.430 704 H N 1.605 120.721 119.070 0.076 0.000 3.140 704 H HA 0.421 4.978 4.556 0.001 0.000 0.336 704 H C -0.513 175.044 175.328 0.383 0.000 1.142 704 H CA -0.569 55.580 56.048 0.168 0.000 1.308 704 H CB 1.762 31.578 29.762 0.089 0.000 1.970 704 H HN 0.771 nan 8.280 nan 0.000 0.521 705 G N 0.913 110.045 108.800 0.554 0.000 2.390 705 G HA2 0.257 4.218 3.960 0.001 0.000 0.270 705 G HA3 0.257 4.218 3.960 0.001 0.000 0.270 705 G C 1.133 176.329 174.900 0.493 0.000 1.211 705 G CA 0.130 45.526 45.100 0.493 0.000 0.842 705 G HN 0.736 nan 8.290 nan 0.000 0.519 706 T N -0.723 113.974 114.554 0.238 0.000 2.995 706 T HA 0.072 4.423 4.350 0.001 0.000 0.269 706 T C 1.815 176.536 174.700 0.035 0.000 1.091 706 T CA 1.265 63.345 62.100 -0.034 0.000 1.128 706 T CB 0.146 68.916 68.868 -0.162 0.000 0.891 706 T HN 0.650 nan 8.240 nan 0.000 0.492 707 A N 1.033 123.940 122.820 0.144 0.000 2.462 707 A HA 0.281 4.602 4.320 0.001 0.000 0.261 707 A C 0.537 178.118 177.584 -0.006 0.000 1.323 707 A CA -0.454 51.677 52.037 0.156 0.000 0.913 707 A CB -0.367 18.936 19.000 0.506 0.000 1.028 707 A HN 0.382 nan 8.150 nan 0.000 0.511 708 D N 1.542 121.952 120.400 0.016 0.000 2.342 708 D HA -0.015 4.626 4.640 0.001 0.000 0.260 708 D C 0.438 176.686 176.300 -0.086 0.000 1.278 708 D CA 0.187 54.272 54.000 0.141 0.000 0.910 708 D CB 0.624 41.661 40.800 0.395 0.000 1.079 708 D HN 0.580 nan 8.370 nan 0.000 0.496 709 D N 2.317 122.712 120.400 -0.008 0.000 2.348 709 D HA -0.132 4.509 4.640 0.001 0.000 0.211 709 D C 0.947 177.204 176.300 -0.072 0.000 0.998 709 D CA -0.120 53.812 54.000 -0.114 0.000 0.873 709 D CB 0.459 41.152 40.800 -0.178 0.000 0.925 709 D HN 0.225 nan 8.370 nan 0.000 0.524 710 N N 0.987 119.755 118.700 0.114 0.000 2.335 710 N HA -0.050 4.691 4.740 0.001 0.000 0.197 710 N C 0.004 175.458 175.510 -0.094 0.000 1.045 710 N CA 0.534 53.696 53.050 0.186 0.000 0.928 710 N CB 0.398 38.970 38.487 0.141 0.000 1.118 710 N HN -0.097 nan 8.380 nan 0.000 0.471 711 V N 3.931 123.819 119.914 -0.043 0.000 2.320 711 V HA 0.174 4.295 4.120 0.001 0.000 0.265 711 V C -0.614 175.541 176.094 0.101 0.000 1.048 711 V CA -0.633 61.675 62.300 0.014 0.000 0.865 711 V CB -0.000 31.896 31.823 0.122 0.000 1.043 711 V HN 0.308 nan 8.190 nan 0.000 0.474 712 H N 3.589 122.626 119.070 -0.055 0.000 2.972 712 H HA -0.007 4.550 4.556 0.001 0.000 0.343 712 H C 0.878 176.070 175.328 -0.225 0.000 1.054 712 H CA -0.236 55.703 56.048 -0.180 0.000 1.412 712 H CB 0.435 30.007 29.762 -0.317 0.000 1.385 712 H HN 0.619 nan 8.280 nan 0.000 0.600 713 F N 2.164 121.934 119.950 -0.300 0.000 2.184 713 F HA -0.319 4.208 4.527 0.001 0.000 0.301 713 F C 2.583 178.109 175.800 -0.456 0.000 1.076 713 F CA 2.060 59.689 58.000 -0.618 0.000 1.295 713 F CB -0.096 38.710 39.000 -0.323 0.000 1.026 713 F HN 0.683 nan 8.300 nan 0.000 0.494 714 Q N 0.112 119.780 119.800 -0.220 0.000 2.182 714 Q HA -0.336 4.004 4.340 0.001 0.000 0.213 714 Q C 2.095 177.851 176.000 -0.408 0.000 1.000 714 Q CA 2.411 58.028 55.803 -0.310 0.000 0.889 714 Q CB -0.382 28.139 28.738 -0.362 0.000 0.932 714 Q HN 0.597 nan 8.270 nan 0.000 0.415 715 Q N -0.330 119.267 119.800 -0.340 0.000 2.061 715 Q HA -0.130 4.211 4.340 0.001 0.000 0.204 715 Q C 2.264 178.129 176.000 -0.225 0.000 0.984 715 Q CA 1.819 57.530 55.803 -0.153 0.000 0.846 715 Q CB -0.132 28.593 28.738 -0.021 0.000 0.902 715 Q HN 0.356 nan 8.270 nan 0.000 0.421 716 S N 0.671 116.101 115.700 -0.449 0.000 2.414 716 S HA 0.007 4.478 4.470 0.001 0.000 0.227 716 S C 2.022 176.329 174.600 -0.488 0.000 1.022 716 S CA 0.681 58.618 58.200 -0.439 0.000 0.958 716 S CB -0.062 62.823 63.200 -0.525 0.000 0.797 716 S HN 0.459 nan 8.310 nan 0.000 0.493 717 A N 1.358 123.805 122.820 -0.622 0.000 1.972 717 A HA -0.117 4.204 4.320 0.001 0.000 0.219 717 A C 2.124 179.593 177.584 -0.192 0.000 1.169 717 A CA 1.088 52.912 52.037 -0.356 0.000 0.635 717 A CB -0.355 18.512 19.000 -0.221 0.000 0.810 717 A HN 0.347 nan 8.150 nan 0.000 0.446 718 Q N -0.545 119.151 119.800 -0.174 0.000 2.187 718 Q HA 0.045 4.386 4.340 0.001 0.000 0.199 718 Q C 2.101 178.038 176.000 -0.105 0.000 0.957 718 Q CA 0.793 56.550 55.803 -0.078 0.000 0.857 718 Q CB -0.234 28.532 28.738 0.045 0.000 0.929 718 Q HN 0.770 nan 8.270 nan 0.000 0.453 719 I N 1.121 121.596 120.570 -0.158 0.000 2.163 719 I HA -0.280 3.891 4.170 0.001 0.000 0.240 719 I C 2.534 178.469 176.117 -0.302 0.000 1.081 719 I CA 1.487 62.653 61.300 -0.223 0.000 1.353 719 I CB -0.450 37.418 38.000 -0.220 0.000 1.054 719 I HN 0.190 nan 8.210 nan 0.000 0.407 720 S N 1.070 116.598 115.700 -0.286 0.000 2.359 720 S HA -0.298 4.173 4.470 0.001 0.000 0.224 720 S C 2.022 176.564 174.600 -0.098 0.000 1.035 720 S CA 1.615 59.657 58.200 -0.263 0.000 1.018 720 S CB -0.528 62.667 63.200 -0.009 0.000 0.876 720 S HN 0.370 nan 8.310 nan 0.000 0.448 721 K N 1.867 122.228 120.400 -0.065 0.000 2.103 721 K HA -0.012 4.309 4.320 0.001 0.000 0.207 721 K C 2.223 178.801 176.600 -0.038 0.000 1.048 721 K CA 1.221 57.495 56.287 -0.022 0.000 0.930 721 K CB -0.706 31.780 32.500 -0.023 0.000 0.716 721 K HN 0.458 nan 8.250 nan 0.000 0.444 722 A N 0.972 123.739 122.820 -0.088 0.000 1.898 722 A HA -0.087 4.234 4.320 0.001 0.000 0.216 722 A C 2.098 179.622 177.584 -0.099 0.000 1.181 722 A CA 1.311 53.293 52.037 -0.091 0.000 0.620 722 A CB -0.575 18.352 19.000 -0.123 0.000 0.819 722 A HN 0.318 nan 8.150 nan 0.000 0.442 723 L N -0.673 120.445 121.223 -0.175 0.000 2.056 723 L HA -0.146 4.195 4.340 0.001 0.000 0.207 723 L C 2.523 179.419 176.870 0.043 0.000 1.078 723 L CA 0.978 55.737 54.840 -0.136 0.000 0.749 723 L CB -0.653 41.204 42.059 -0.336 0.000 0.901 723 L HN 0.226 nan 8.230 nan 0.000 0.433 724 V N 0.024 119.993 119.914 0.093 0.000 2.332 724 V HA -0.322 3.799 4.120 0.001 0.000 0.248 724 V C 2.142 178.275 176.094 0.066 0.000 1.055 724 V CA 2.011 64.386 62.300 0.125 0.000 1.038 724 V CB -0.522 31.373 31.823 0.120 0.000 0.651 724 V HN 0.445 nan 8.190 nan 0.000 0.450 725 D N 0.224 120.644 120.400 0.033 0.000 2.149 725 D HA -0.125 4.515 4.640 0.001 0.000 0.198 725 D C 1.810 178.126 176.300 0.027 0.000 0.990 725 D CA 1.824 55.837 54.000 0.023 0.000 0.839 725 D CB -0.231 40.573 40.800 0.008 0.000 0.948 725 D HN 0.552 nan 8.370 nan 0.000 0.460 726 V N -3.333 116.598 119.914 0.028 0.000 3.633 726 V HA 0.474 4.595 4.120 0.001 0.000 0.283 726 V C 1.203 177.329 176.094 0.054 0.000 1.305 726 V CA 0.318 62.640 62.300 0.036 0.000 1.153 726 V CB -0.232 31.612 31.823 0.035 0.000 0.950 726 V HN 0.184 nan 8.190 nan 0.000 0.432 727 G N 0.293 109.131 108.800 0.064 0.000 2.225 727 G HA2 -0.180 3.780 3.960 0.001 0.000 0.264 727 G HA3 -0.180 3.780 3.960 0.001 0.000 0.264 727 G C -0.132 174.829 174.900 0.102 0.000 1.060 727 G CA 0.198 45.343 45.100 0.075 0.000 0.833 727 G HN 0.854 nan 8.290 nan 0.000 0.498 728 V N 0.498 120.494 119.914 0.137 0.000 2.370 728 V HA 0.446 4.566 4.120 0.001 0.000 0.283 728 V C 0.391 176.655 176.094 0.284 0.000 1.023 728 V CA -0.590 61.822 62.300 0.188 0.000 0.857 728 V CB 1.733 33.666 31.823 0.183 0.000 0.985 728 V HN 0.452 nan 8.190 nan 0.000 0.443 729 D N 4.237 124.772 120.400 0.224 0.000 2.345 729 D HA 0.549 5.190 4.640 0.001 0.000 0.247 729 D C -0.526 175.958 176.300 0.307 0.000 1.108 729 D CA 0.257 54.359 54.000 0.171 0.000 0.894 729 D CB 0.673 41.524 40.800 0.085 0.000 1.203 729 D HN 0.372 nan 8.370 nan 0.000 0.430 730 F N -0.121 119.900 119.950 0.119 0.000 2.779 730 F HA 0.487 5.015 4.527 0.001 0.000 0.316 730 F C -1.533 174.314 175.800 0.079 0.000 1.164 730 F CA -1.163 56.929 58.000 0.153 0.000 0.924 730 F CB 0.809 39.933 39.000 0.207 0.000 1.348 730 F HN 0.051 nan 8.300 nan 0.000 0.467 731 Q N 1.440 121.301 119.800 0.102 0.000 2.274 731 Q HA 0.819 5.160 4.340 0.001 0.000 0.260 731 Q C -0.810 175.201 176.000 0.019 0.000 0.974 731 Q CA -0.754 55.023 55.803 -0.044 0.000 0.876 731 Q CB 1.953 30.672 28.738 -0.032 0.000 1.297 731 Q HN 1.043 nan 8.270 nan 0.000 0.446 732 A N 1.719 124.518 122.820 -0.036 0.000 2.566 732 A HA 0.879 5.200 4.320 0.001 0.000 0.292 732 A C -1.330 176.197 177.584 -0.096 0.000 1.112 732 A CA -0.591 51.458 52.037 0.021 0.000 0.707 732 A CB 1.982 21.093 19.000 0.184 0.000 1.302 732 A HN 0.613 nan 8.150 nan 0.000 0.409 733 M N 1.121 120.643 119.600 -0.131 0.000 2.274 733 M HA 0.556 5.037 4.480 0.001 0.000 0.272 733 M C -2.081 174.050 176.300 -0.281 0.000 1.053 733 M CA -0.549 54.508 55.300 -0.406 0.000 0.978 733 M CB 1.067 33.343 32.600 -0.540 0.000 1.836 733 M HN 0.964 nan 8.290 nan 0.000 0.484 734 W N 4.154 125.280 121.300 -0.289 0.000 2.516 734 W HA 0.790 5.451 4.660 0.001 0.000 0.343 734 W C -1.978 174.257 176.519 -0.474 0.000 1.094 734 W CA -0.929 56.328 57.345 -0.148 0.000 1.250 734 W CB 0.390 29.805 29.460 -0.075 0.000 1.308 734 W HN 0.625 nan 8.180 nan 0.000 0.588 735 Y N 2.129 122.569 120.300 0.233 0.000 2.376 735 Y HA 0.291 4.842 4.550 0.001 0.000 0.326 735 Y C 0.480 176.494 175.900 0.189 0.000 0.970 735 Y CA -1.051 57.106 58.100 0.094 0.000 1.248 735 Y CB 1.594 40.080 38.460 0.044 0.000 1.117 735 Y HN 0.411 nan 8.280 nan 0.000 0.476 736 T N 4.590 119.317 114.554 0.288 0.000 2.831 736 T HA -0.045 4.305 4.350 0.001 0.000 0.291 736 T C 0.160 174.924 174.700 0.106 0.000 0.981 736 T CA 0.667 62.863 62.100 0.159 0.000 1.174 736 T CB -0.160 68.739 68.868 0.052 0.000 0.929 736 T HN 0.716 nan 8.240 nan 0.000 0.532 737 D N 0.971 121.404 120.400 0.056 0.000 3.077 737 D HA -0.125 4.516 4.640 0.001 0.000 0.217 737 D C 0.258 176.678 176.300 0.201 0.000 1.162 737 D CA 1.123 55.090 54.000 -0.056 0.000 0.943 737 D CB -0.388 40.178 40.800 -0.390 0.000 1.122 737 D HN 0.556 nan 8.370 nan 0.000 0.413 738 E N 0.749 121.095 120.200 0.243 0.000 2.277 738 E HA 0.331 4.682 4.350 0.001 0.000 0.274 738 E C 0.735 177.523 176.600 0.313 0.000 1.022 738 E CA -0.366 56.199 56.400 0.274 0.000 0.853 738 E CB 1.339 31.191 29.700 0.253 0.000 1.086 738 E HN 0.314 nan 8.360 nan 0.000 0.397 739 D N -0.257 120.339 120.400 0.326 0.000 2.511 739 D HA -0.020 4.621 4.640 0.001 0.000 0.283 739 D C 1.100 177.627 176.300 0.379 0.000 1.198 739 D CA -0.073 54.142 54.000 0.357 0.000 1.097 739 D CB -0.184 40.853 40.800 0.395 0.000 1.160 739 D HN 0.431 nan 8.370 nan 0.000 0.589 740 H N -1.773 117.477 119.070 0.301 0.000 2.489 740 H HA 0.130 4.686 4.556 0.001 0.000 0.293 740 H C 1.808 177.395 175.328 0.431 0.000 1.066 740 H CA 2.009 58.257 56.048 0.335 0.000 1.305 740 H CB -0.290 29.655 29.762 0.304 0.000 1.386 740 H HN 0.472 nan 8.280 nan 0.000 0.551 741 G N -0.581 108.385 108.800 0.277 0.000 2.986 741 G HA2 0.066 4.027 3.960 0.001 0.000 0.213 741 G HA3 0.066 4.027 3.960 0.001 0.000 0.213 741 G C 0.572 175.633 174.900 0.268 0.000 1.156 741 G CA 0.159 45.340 45.100 0.136 0.000 0.763 741 G HN 0.480 nan 8.290 nan 0.000 0.547 742 I N 0.218 120.981 120.570 0.323 0.000 3.859 742 I HA -0.346 3.825 4.170 0.001 0.000 0.126 742 I C 1.685 177.923 176.117 0.201 0.000 1.065 742 I CA 0.177 61.619 61.300 0.236 0.000 2.735 742 I CB -0.960 37.160 38.000 0.200 0.000 1.465 742 I HN 0.262 nan 8.210 nan 0.000 0.341 743 A N 1.164 124.074 122.820 0.150 0.000 2.348 743 A HA 0.231 4.552 4.320 0.001 0.000 0.224 743 A C 1.236 178.859 177.584 0.064 0.000 1.227 743 A CA 0.568 52.653 52.037 0.080 0.000 0.885 743 A CB 0.100 19.112 19.000 0.020 0.000 0.933 743 A HN 0.646 nan 8.150 nan 0.000 0.506 744 S N -0.297 115.460 115.700 0.094 0.000 2.563 744 S HA 0.116 4.587 4.470 0.001 0.000 0.284 744 S C 1.188 175.837 174.600 0.081 0.000 1.331 744 S CA 0.360 58.610 58.200 0.084 0.000 1.047 744 S CB 0.992 64.252 63.200 0.099 0.000 0.859 744 S HN 0.437 nan 8.310 nan 0.000 0.514 745 S N 2.259 117.995 115.700 0.061 0.000 2.368 745 S HA -0.200 4.270 4.470 0.001 0.000 0.226 745 S C 2.142 176.796 174.600 0.091 0.000 1.044 745 S CA 2.375 60.615 58.200 0.067 0.000 1.062 745 S CB -1.579 61.643 63.200 0.037 0.000 0.931 745 S HN 1.056 nan 8.310 nan 0.000 0.440 746 T N 0.072 114.669 114.554 0.072 0.000 2.777 746 T HA 0.103 4.453 4.350 0.001 0.000 0.266 746 T C 1.985 176.732 174.700 0.079 0.000 1.040 746 T CA 1.431 63.575 62.100 0.073 0.000 1.141 746 T CB -1.012 67.891 68.868 0.060 0.000 0.868 746 T HN 0.470 nan 8.240 nan 0.000 0.444 747 A N 1.633 124.479 122.820 0.043 0.000 1.902 747 A HA -0.131 4.190 4.320 0.001 0.000 0.217 747 A C 2.227 179.751 177.584 -0.099 0.000 1.181 747 A CA 2.137 54.124 52.037 -0.083 0.000 0.623 747 A CB -1.305 17.610 19.000 -0.141 0.000 0.818 747 A HN 0.777 nan 8.150 nan 0.000 0.443 748 H N -0.194 118.849 119.070 -0.045 0.000 2.352 748 H HA -0.132 4.425 4.556 0.001 0.000 0.299 748 H C 2.074 177.465 175.328 0.104 0.000 1.097 748 H CA 2.304 58.385 56.048 0.055 0.000 1.311 748 H CB -0.188 29.615 29.762 0.068 0.000 1.377 748 H HN 0.593 nan 8.280 nan 0.000 0.504 749 Q N -1.123 118.665 119.800 -0.021 0.000 2.119 749 Q HA -0.158 4.183 4.340 0.001 0.000 0.201 749 Q C 2.109 178.082 176.000 -0.045 0.000 0.972 749 Q CA 1.163 56.915 55.803 -0.085 0.000 0.847 749 Q CB -0.101 28.629 28.738 -0.014 0.000 0.903 749 Q HN 0.637 nan 8.270 nan 0.000 0.433 750 H N 0.739 119.768 119.070 -0.067 0.000 2.363 750 H HA -0.042 4.515 4.556 0.001 0.000 0.301 750 H C 2.038 177.350 175.328 -0.028 0.000 1.074 750 H CA 1.177 57.218 56.048 -0.011 0.000 1.354 750 H CB 0.043 29.846 29.762 0.068 0.000 1.397 750 H HN 0.263 nan 8.280 nan 0.000 0.516 751 I N 0.185 120.713 120.570 -0.070 0.000 2.179 751 I HA -0.333 3.838 4.170 0.001 0.000 0.242 751 I C 1.800 177.706 176.117 -0.352 0.000 1.088 751 I CA 1.319 62.505 61.300 -0.190 0.000 1.357 751 I CB -0.277 37.438 38.000 -0.475 0.000 1.051 751 I HN 0.136 nan 8.210 nan 0.000 0.409 752 Y N 0.855 120.951 120.300 -0.339 0.000 2.352 752 Y HA -0.200 4.351 4.550 0.001 0.000 0.292 752 Y C 2.692 178.395 175.900 -0.329 0.000 1.136 752 Y CA 1.749 59.544 58.100 -0.509 0.000 1.227 752 Y CB -0.839 37.317 38.460 -0.508 0.000 0.991 752 Y HN 0.169 nan 8.280 nan 0.000 0.545 753 T N -1.663 112.810 114.554 -0.136 0.000 2.737 753 T HA -0.224 4.127 4.350 0.001 0.000 0.265 753 T C 1.580 176.133 174.700 -0.246 0.000 1.038 753 T CA 1.829 63.800 62.100 -0.215 0.000 1.144 753 T CB -0.461 68.275 68.868 -0.220 0.000 0.866 753 T HN 0.402 nan 8.240 nan 0.000 0.434 754 H N 0.826 119.759 119.070 -0.228 0.000 2.352 754 H HA 0.062 4.618 4.556 0.001 0.000 0.299 754 H C 2.169 177.485 175.328 -0.020 0.000 1.097 754 H CA 1.667 57.666 56.048 -0.082 0.000 1.311 754 H CB -0.246 29.466 29.762 -0.084 0.000 1.377 754 H HN 0.262 nan 8.280 nan 0.000 0.504 755 M N -0.952 118.592 119.600 -0.092 0.000 2.175 755 M HA -0.152 4.329 4.480 0.001 0.000 0.264 755 M C 2.438 178.850 176.300 0.187 0.000 1.063 755 M CA 1.448 56.694 55.300 -0.090 0.000 1.119 755 M CB 0.023 32.322 32.600 -0.502 0.000 1.377 755 M HN 0.205 nan 8.290 nan 0.000 0.415 756 S N -0.525 115.314 115.700 0.231 0.000 2.359 756 S HA -0.166 4.305 4.470 0.001 0.000 0.224 756 S C 1.694 176.400 174.600 0.176 0.000 1.035 756 S CA 1.087 59.516 58.200 0.382 0.000 1.018 756 S CB -0.600 62.809 63.200 0.348 0.000 0.876 756 S HN 0.454 nan 8.310 nan 0.000 0.448 757 H N 0.090 119.225 119.070 0.109 0.000 2.319 757 H HA -0.060 4.497 4.556 0.001 0.000 0.299 757 H C 1.982 177.317 175.328 0.012 0.000 1.092 757 H CA 1.410 57.476 56.048 0.030 0.000 1.302 757 H CB -0.912 28.821 29.762 -0.047 0.000 1.373 757 H HN 0.444 nan 8.280 nan 0.000 0.497 758 F N 1.299 121.236 119.950 -0.022 0.000 2.095 758 F HA -0.205 4.322 4.527 0.001 0.000 0.298 758 F C 2.314 178.074 175.800 -0.067 0.000 1.104 758 F CA 1.026 58.982 58.000 -0.073 0.000 1.232 758 F CB -0.311 38.617 39.000 -0.120 0.000 0.987 758 F HN -0.018 nan 8.300 nan 0.000 0.475 759 I N 0.506 121.070 120.570 -0.011 0.000 2.252 759 I HA -0.251 3.920 4.170 0.001 0.000 0.245 759 I C 2.224 178.134 176.117 -0.344 0.000 1.102 759 I CA 1.438 62.568 61.300 -0.284 0.000 1.385 759 I CB -1.258 36.657 38.000 -0.143 0.000 1.064 759 I HN 0.224 nan 8.210 nan 0.000 0.414 760 K N 0.224 120.573 120.400 -0.084 0.000 2.097 760 K HA -0.202 4.119 4.320 0.001 0.000 0.205 760 K C 2.116 178.710 176.600 -0.011 0.000 1.050 760 K CA 0.977 57.273 56.287 0.015 0.000 0.938 760 K CB -0.193 32.368 32.500 0.102 0.000 0.718 760 K HN 0.294 nan 8.250 nan 0.000 0.442 761 Q N 1.298 121.051 119.800 -0.078 0.000 2.079 761 Q HA -0.198 4.143 4.340 0.001 0.000 0.200 761 Q C 2.256 178.169 176.000 -0.145 0.000 0.974 761 Q CA 1.759 57.504 55.803 -0.097 0.000 0.840 761 Q CB -0.642 28.023 28.738 -0.121 0.000 0.898 761 Q HN 0.407 nan 8.270 nan 0.000 0.430 762 c N 0.297 118.703 118.600 -0.323 0.000 2.422 762 c HA -0.081 4.489 4.570 0.001 0.000 0.279 762 c C 2.184 176.303 174.090 0.049 0.000 1.305 762 c CA 0.474 56.633 56.329 -0.283 0.000 1.757 762 c CB -1.364 40.811 42.510 -0.559 0.000 1.962 762 c HN 0.527 nan 8.230 nan 0.000 0.499 763 F N 1.441 121.348 119.950 -0.072 0.000 2.765 763 F HA 0.247 4.775 4.527 0.001 0.000 0.302 763 F C 1.722 177.506 175.800 -0.027 0.000 1.111 763 F CA 0.504 58.484 58.000 -0.032 0.000 1.359 763 F CB -1.088 37.902 39.000 -0.015 0.000 1.097 763 F HN 0.248 nan 8.300 nan 0.000 0.577 764 S N 0.675 116.460 115.700 0.141 0.000 3.635 764 S HA -0.194 4.277 4.470 0.001 0.000 0.328 764 S C 0.011 174.656 174.600 0.076 0.000 1.135 764 S CA 0.065 58.309 58.200 0.074 0.000 0.942 764 S CB -2.166 61.065 63.200 0.051 0.000 0.930 764 S HN 0.221 nan 8.310 nan 0.000 0.512 765 L N 1.225 122.511 121.223 0.104 0.000 2.264 765 L HA 0.413 4.754 4.340 0.001 0.000 0.289 765 L C -1.483 175.433 176.870 0.077 0.000 1.044 765 L CA -2.055 52.842 54.840 0.094 0.000 0.807 765 L CB 0.472 42.610 42.059 0.132 0.000 1.192 765 L HN -0.003 nan 8.230 nan 0.000 0.425 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.136 63.100 0.060 0.000 0.800 766 P CB 0.000 31.728 31.700 0.047 0.000 0.726