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 2ajd_1_C DATA FIRST_RESID 39 DATA SEQUENCE SRRTYTLTDY LKSTFRVKFY TLQWISDHEY LYKQENNILL FNAEYGNSSI DATA SEQUENCE FLENSTFDEL GYSTNDYSVS PDRQFILFEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWITWS PVGHKLAYVW NNDIYVKNEP NLSSQRITWT DATA SEQUENCE GKENVIYNGV TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRIPYPK AGAENPTVKF FVVDTRTLSP NASVTSYQIV DATA SEQUENCE PPASVLIGDH YLCGVTWVTE ERISLQWIRR AQNYSIIDIC DYDESTGRWI DATA SEQUENCE SSVARQHIEI STTGWVGRFR PAEPHFTSDG NSFYKIISNE EGYKHIcHFQ DATA SEQUENCE TDKSNcTFIT KGAWEVIGIE ALTSDYLYYI SNEHKGMPGG RNLYRIQLND DATA SEQUENCE YTKVTCLSCE LNPERcQYYS ASFSNKAKYY QLRcFGPGLP LYTLHSSSSD DATA SEQUENCE KELRVLEDNS ALDKMLQDVQ MPSKKLDVIN LHGTKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLIEVYA GPCSQKVDTV FRLSWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE ATRQFSKMGF VDDKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGAGSGVFK cGIAVAPVSK WEYYDSVYTE RYMGLPTPED NLDYYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ LSKALVDAGV DFQTMWYTDE DATA SEQUENCE DHGIASNMAH QHIYTHMSHF LKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.641 174.600 0.068 0.000 1.055 39 S CA 0.000 58.243 58.200 0.072 0.000 1.107 39 S CB 0.000 63.236 63.200 0.060 0.000 0.593 40 R N 1.826 122.372 120.500 0.076 0.000 2.828 40 R HA 0.626 4.965 4.340 -0.002 0.000 0.270 40 R C 0.006 176.349 176.300 0.070 0.000 1.244 40 R CA -0.817 55.325 56.100 0.071 0.000 1.143 40 R CB 0.215 30.559 30.300 0.073 0.000 1.128 40 R HN 0.226 nan 8.270 nan 0.000 0.587 41 R N -0.178 120.372 120.500 0.083 0.000 2.546 41 R HA 0.266 4.605 4.340 -0.002 0.000 0.266 41 R C -0.120 176.244 176.300 0.107 0.000 1.086 41 R CA -0.389 55.770 56.100 0.098 0.000 1.160 41 R CB 1.086 31.463 30.300 0.129 0.000 1.138 41 R HN 0.787 nan 8.270 nan 0.000 0.567 42 T N -2.609 112.022 114.554 0.130 0.000 2.940 42 T HA 0.211 4.560 4.350 -0.002 0.000 0.288 42 T C -0.796 174.061 174.700 0.261 0.000 1.045 42 T CA -0.727 61.468 62.100 0.158 0.000 1.018 42 T CB 0.851 69.796 68.868 0.129 0.000 1.151 42 T HN 0.466 nan 8.240 nan 0.000 0.529 43 Y N 3.026 123.431 120.300 0.175 0.000 2.624 43 Y HA 0.334 4.883 4.550 -0.002 0.000 0.354 43 Y C 1.095 177.161 175.900 0.276 0.000 1.051 43 Y CA -0.259 58.001 58.100 0.266 0.000 1.377 43 Y CB -0.425 38.168 38.460 0.222 0.000 1.168 43 Y HN 0.947 nan 8.280 nan 0.000 0.525 44 T N 2.732 117.302 114.554 0.027 0.000 2.849 44 T HA 0.103 4.452 4.350 -0.002 0.000 0.284 44 T C 1.136 175.679 174.700 -0.260 0.000 1.004 44 T CA -0.789 61.303 62.100 -0.014 0.000 1.021 44 T CB 1.202 70.026 68.868 -0.073 0.000 1.013 44 T HN 0.661 nan 8.240 nan 0.000 0.527 45 L N 1.693 122.533 121.223 -0.639 0.000 2.013 45 L HA -0.064 4.274 4.340 -0.002 0.000 0.212 45 L C 2.558 179.265 176.870 -0.270 0.000 1.073 45 L CA 2.280 56.676 54.840 -0.741 0.000 0.753 45 L CB -1.786 39.739 42.059 -0.890 0.000 0.890 45 L HN 0.965 nan 8.230 nan 0.000 0.432 46 T N -0.319 114.091 114.554 -0.240 0.000 2.720 46 T HA -0.199 4.150 4.350 -0.002 0.000 0.268 46 T C 1.573 176.133 174.700 -0.233 0.000 1.037 46 T CA 1.545 63.534 62.100 -0.185 0.000 1.144 46 T CB -0.469 68.308 68.868 -0.152 0.000 0.864 46 T HN 0.442 nan 8.240 nan 0.000 0.444 47 D N -0.025 120.181 120.400 -0.323 0.000 2.116 47 D HA -0.123 4.516 4.640 -0.002 0.000 0.193 47 D C 1.784 177.847 176.300 -0.395 0.000 0.998 47 D CA 1.278 54.983 54.000 -0.492 0.000 0.836 47 D CB -0.384 39.978 40.800 -0.730 0.000 0.951 47 D HN 0.426 nan 8.370 nan 0.000 0.449 48 Y N 1.716 121.749 120.300 -0.446 0.000 2.070 48 Y HA -0.179 4.370 4.550 -0.002 0.000 0.279 48 Y C 2.396 178.277 175.900 -0.032 0.000 1.134 48 Y CA 1.316 59.374 58.100 -0.070 0.000 1.113 48 Y CB -0.843 37.682 38.460 0.109 0.000 0.981 48 Y HN -0.105 nan 8.280 nan 0.000 0.487 49 L N 0.216 121.233 121.223 -0.343 0.000 2.013 49 L HA -0.281 4.058 4.340 -0.002 0.000 0.212 49 L C 2.139 178.876 176.870 -0.222 0.000 1.073 49 L CA 1.855 56.472 54.840 -0.370 0.000 0.753 49 L CB -0.632 41.311 42.059 -0.193 0.000 0.890 49 L HN 0.152 nan 8.230 nan 0.000 0.432 50 K N -0.262 120.031 120.400 -0.179 0.000 2.444 50 K HA 0.128 4.447 4.320 -0.002 0.000 0.193 50 K C 0.622 177.144 176.600 -0.131 0.000 1.024 50 K CA 0.086 56.292 56.287 -0.136 0.000 1.077 50 K CB 0.251 32.670 32.500 -0.134 0.000 0.833 50 K HN 0.132 nan 8.250 nan 0.000 0.517 51 S N 1.311 116.930 115.700 -0.136 0.000 3.484 51 S HA -0.135 4.334 4.470 -0.002 0.000 0.384 51 S C 1.285 175.827 174.600 -0.097 0.000 0.932 51 S CA 0.884 59.048 58.200 -0.059 0.000 1.293 51 S CB -1.370 61.816 63.200 -0.023 0.000 0.919 51 S HN 0.659 nan 8.310 nan 0.000 0.540 52 T N -2.101 112.305 114.554 -0.246 0.000 2.904 52 T HA 0.069 4.418 4.350 -0.002 0.000 0.267 52 T C 0.405 174.888 174.700 -0.362 0.000 1.059 52 T CA 0.733 62.594 62.100 -0.400 0.000 1.137 52 T CB -0.226 68.227 68.868 -0.693 0.000 0.879 52 T HN 0.356 nan 8.240 nan 0.000 0.467 53 F N 2.414 122.432 119.950 0.114 0.000 2.303 53 F HA 0.636 5.162 4.527 -0.002 0.000 0.368 53 F C 0.456 176.356 175.800 0.166 0.000 1.105 53 F CA -1.914 56.185 58.000 0.165 0.000 1.153 53 F CB 0.596 39.758 39.000 0.268 0.000 1.362 53 F HN -0.089 nan 8.300 nan 0.000 0.511 54 R N 1.707 122.369 120.500 0.270 0.000 2.389 54 R HA 0.502 4.841 4.340 -0.002 0.000 0.295 54 R C -1.186 175.251 176.300 0.228 0.000 1.075 54 R CA -0.213 56.009 56.100 0.204 0.000 1.005 54 R CB 0.713 31.084 30.300 0.118 0.000 0.987 54 R HN 0.407 nan 8.270 nan 0.000 0.452 55 V N 6.411 126.473 119.914 0.247 0.000 2.318 55 V HA 0.247 4.365 4.120 -0.002 0.000 0.271 55 V C 0.163 176.411 176.094 0.258 0.000 1.030 55 V CA -0.527 61.943 62.300 0.284 0.000 0.844 55 V CB 0.905 32.934 31.823 0.344 0.000 1.015 55 V HN 0.725 nan 8.190 nan 0.000 0.460 56 K N 4.886 125.388 120.400 0.170 0.000 2.168 56 K HA 0.628 4.947 4.320 -0.002 0.000 0.258 56 K C -0.486 176.193 176.600 0.133 0.000 1.010 56 K CA -0.099 56.196 56.287 0.014 0.000 0.929 56 K CB 0.905 33.387 32.500 -0.029 0.000 0.998 56 K HN 0.587 nan 8.250 nan 0.000 0.479 57 F N -1.457 118.502 119.950 0.015 0.000 2.726 57 F HA 0.495 5.021 4.527 -0.002 0.000 0.324 57 F C -1.370 174.206 175.800 -0.373 0.000 1.140 57 F CA -1.391 56.438 58.000 -0.284 0.000 0.964 57 F CB 0.880 39.807 39.000 -0.122 0.000 1.399 57 F HN 0.402 nan 8.300 nan 0.000 0.491 58 Y N 1.146 121.063 120.300 -0.637 0.000 2.541 58 Y HA 0.485 5.034 4.550 -0.002 0.000 0.350 58 Y C -0.973 174.864 175.900 -0.104 0.000 1.075 58 Y CA -0.565 57.361 58.100 -0.290 0.000 1.302 58 Y CB 0.852 39.054 38.460 -0.430 0.000 1.094 58 Y HN 0.799 nan 8.280 nan 0.000 0.579 59 T N 5.789 120.371 114.554 0.046 0.000 2.909 59 T HA 0.681 5.029 4.350 -0.002 0.000 0.289 59 T C -0.813 173.826 174.700 -0.103 0.000 1.005 59 T CA -0.340 61.764 62.100 0.008 0.000 1.084 59 T CB 1.182 70.087 68.868 0.061 0.000 0.975 59 T HN 0.559 nan 8.240 nan 0.000 0.509 60 L N 0.008 121.155 121.223 -0.127 0.000 2.710 60 L HA 0.648 4.987 4.340 -0.002 0.000 0.260 60 L C -1.562 175.218 176.870 -0.149 0.000 0.993 60 L CA -1.089 53.637 54.840 -0.190 0.000 0.877 60 L CB 1.928 43.626 42.059 -0.602 0.000 1.461 60 L HN 0.499 nan 8.230 nan 0.000 0.413 61 Q N 1.059 120.826 119.800 -0.055 0.000 2.327 61 Q HA 0.479 4.818 4.340 -0.002 0.000 0.270 61 Q C -1.604 174.453 176.000 0.095 0.000 1.022 61 Q CA -0.299 55.531 55.803 0.045 0.000 0.773 61 Q CB 1.503 30.307 28.738 0.110 0.000 1.251 61 Q HN 0.633 nan 8.270 nan 0.000 0.457 62 W N 3.179 124.584 121.300 0.175 0.000 2.089 62 W HA 0.128 4.787 4.660 -0.002 0.000 0.355 62 W C 1.291 177.898 176.519 0.148 0.000 1.305 62 W CA 0.008 57.475 57.345 0.203 0.000 1.281 62 W CB 0.435 30.009 29.460 0.191 0.000 1.183 62 W HN 0.701 nan 8.180 nan 0.000 0.604 63 I N -1.633 119.177 120.570 0.401 0.000 4.765 63 I HA 0.315 4.483 4.170 -0.002 0.000 0.349 63 I C 0.193 176.406 176.117 0.160 0.000 1.278 63 I CA -0.110 61.316 61.300 0.210 0.000 1.331 63 I CB 0.077 38.142 38.000 0.107 0.000 1.570 63 I HN 0.243 nan 8.210 nan 0.000 0.538 64 S N 0.488 116.305 115.700 0.195 0.000 2.752 64 S HA 0.332 4.801 4.470 -0.002 0.000 0.284 64 S C -0.117 174.530 174.600 0.078 0.000 1.189 64 S CA 0.160 58.394 58.200 0.057 0.000 0.835 64 S CB 1.229 64.354 63.200 -0.125 0.000 1.192 64 S HN 0.249 nan 8.310 nan 0.000 0.506 65 D N -0.253 120.149 120.400 0.003 0.000 2.363 65 D HA -0.022 4.617 4.640 -0.002 0.000 0.220 65 D C 1.001 177.409 176.300 0.179 0.000 0.994 65 D CA 1.191 55.218 54.000 0.045 0.000 0.890 65 D CB -0.559 40.309 40.800 0.112 0.000 0.906 65 D HN 0.847 nan 8.370 nan 0.000 0.530 66 H N -1.994 117.212 119.070 0.227 0.000 2.985 66 H HA 0.461 5.016 4.556 -0.002 0.000 0.246 66 H C -0.818 174.654 175.328 0.240 0.000 1.181 66 H CA -0.555 55.584 56.048 0.152 0.000 0.972 66 H CB -0.110 29.640 29.762 -0.020 0.000 2.016 66 H HN 0.021 nan 8.280 nan 0.000 0.672 67 E N 1.216 121.607 120.200 0.319 0.000 2.367 67 E HA 0.411 4.760 4.350 -0.002 0.000 0.273 67 E C -1.750 175.089 176.600 0.399 0.000 0.903 67 E CA -1.202 55.338 56.400 0.233 0.000 0.764 67 E CB 3.009 32.737 29.700 0.046 0.000 1.252 67 E HN 0.322 nan 8.360 nan 0.000 0.446 68 Y N -0.500 119.867 120.300 0.111 0.000 2.581 68 Y HA 0.548 5.097 4.550 -0.002 0.000 0.337 68 Y C -2.096 173.833 175.900 0.048 0.000 1.108 68 Y CA -1.300 56.764 58.100 -0.059 0.000 1.033 68 Y CB 0.664 38.750 38.460 -0.624 0.000 1.318 68 Y HN 0.390 nan 8.280 nan 0.000 0.459 69 L N 3.738 125.157 121.223 0.327 0.000 2.343 69 L HA 0.557 4.896 4.340 -0.002 0.000 0.275 69 L C -1.245 175.885 176.870 0.433 0.000 1.056 69 L CA -1.054 53.958 54.840 0.286 0.000 0.804 69 L CB 1.533 43.657 42.059 0.108 0.000 1.203 69 L HN 0.797 nan 8.230 nan 0.000 0.440 70 Y N 2.229 122.675 120.300 0.242 0.000 2.433 70 Y HA 0.294 4.843 4.550 -0.002 0.000 0.337 70 Y C -0.743 175.216 175.900 0.098 0.000 1.026 70 Y CA -1.268 56.888 58.100 0.093 0.000 1.037 70 Y CB 1.645 40.089 38.460 -0.026 0.000 1.245 70 Y HN 0.484 nan 8.280 nan 0.000 0.443 71 K N 6.246 126.307 120.400 -0.564 0.000 2.300 71 K HA 0.297 4.616 4.320 -0.002 0.000 0.264 71 K C -1.007 175.171 176.600 -0.704 0.000 1.083 71 K CA -0.460 55.568 56.287 -0.432 0.000 0.958 71 K CB 0.648 33.076 32.500 -0.120 0.000 1.318 71 K HN 0.857 nan 8.250 nan 0.000 0.448 72 Q N 3.579 123.094 119.800 -0.476 0.000 2.243 72 Q HA 0.073 4.412 4.340 -0.002 0.000 0.252 72 Q C -0.353 175.549 176.000 -0.163 0.000 0.909 72 Q CA 0.185 55.823 55.803 -0.275 0.000 0.922 72 Q CB 0.855 29.646 28.738 0.087 0.000 1.215 72 Q HN 0.846 nan 8.270 nan 0.000 0.427 73 E N 2.275 122.384 120.200 -0.152 0.000 3.979 73 E HA -0.371 3.978 4.350 -0.002 0.000 0.208 73 E C -0.295 176.188 176.600 -0.196 0.000 1.230 73 E CA 1.786 58.106 56.400 -0.134 0.000 2.178 73 E CB -0.831 28.819 29.700 -0.084 0.000 1.846 73 E HN 0.812 nan 8.360 nan 0.000 0.311 74 N N 1.494 120.066 118.700 -0.213 0.000 2.423 74 N HA 0.139 4.878 4.740 -0.002 0.000 0.262 74 N C -1.651 173.683 175.510 -0.294 0.000 1.467 74 N CA -0.014 52.819 53.050 -0.362 0.000 0.847 74 N CB 0.496 38.738 38.487 -0.409 0.000 1.394 74 N HN 0.188 nan 8.380 nan 0.000 0.495 75 N N 0.713 119.325 118.700 -0.147 0.000 2.310 75 N HA 0.455 5.194 4.740 -0.002 0.000 0.292 75 N C -0.719 174.771 175.510 -0.033 0.000 1.049 75 N CA -0.364 52.674 53.050 -0.019 0.000 0.849 75 N CB 1.894 40.390 38.487 0.016 0.000 1.532 75 N HN 0.029 nan 8.380 nan 0.000 0.479 76 I N 1.976 122.532 120.570 -0.023 0.000 2.441 76 I HA 0.287 4.456 4.170 -0.002 0.000 0.287 76 I C -0.519 175.653 176.117 0.092 0.000 1.049 76 I CA -0.463 60.803 61.300 -0.057 0.000 1.381 76 I CB 0.450 38.304 38.000 -0.242 0.000 1.409 76 I HN 0.274 nan 8.210 nan 0.000 0.523 77 L N 6.900 128.235 121.223 0.186 0.000 2.385 77 L HA 0.453 4.792 4.340 -0.002 0.000 0.273 77 L C -0.679 176.341 176.870 0.249 0.000 0.990 77 L CA -0.813 54.153 54.840 0.210 0.000 0.821 77 L CB 1.988 44.201 42.059 0.256 0.000 1.279 77 L HN 0.412 nan 8.230 nan 0.000 0.412 78 L N 3.082 124.383 121.223 0.131 0.000 2.283 78 L HA 0.487 4.826 4.340 -0.002 0.000 0.287 78 L C -0.972 175.841 176.870 -0.096 0.000 1.073 78 L CA 0.608 55.512 54.840 0.108 0.000 0.822 78 L CB -0.058 42.133 42.059 0.219 0.000 1.186 78 L HN 0.256 nan 8.230 nan 0.000 0.436 79 F N 3.537 123.276 119.950 -0.351 0.000 2.403 79 F HA 0.413 4.939 4.527 -0.002 0.000 0.326 79 F C 0.760 176.329 175.800 -0.384 0.000 1.081 79 F CA -0.506 57.196 58.000 -0.496 0.000 1.041 79 F CB 1.123 39.483 39.000 -1.067 0.000 1.234 79 F HN 0.506 nan 8.300 nan 0.000 0.503 80 N N 1.234 119.905 118.700 -0.048 0.000 2.511 80 N HA 0.296 5.035 4.740 -0.002 0.000 0.249 80 N C -0.076 175.412 175.510 -0.038 0.000 0.971 80 N CA -0.066 52.986 53.050 0.004 0.000 0.938 80 N CB 1.768 40.290 38.487 0.059 0.000 1.131 80 N HN 0.757 nan 8.380 nan 0.000 0.505 81 A N 2.837 125.633 122.820 -0.041 0.000 2.235 81 A HA -0.023 4.296 4.320 -0.002 0.000 0.208 81 A C 1.553 178.777 177.584 -0.601 0.000 1.172 81 A CA 0.689 52.641 52.037 -0.142 0.000 0.786 81 A CB -0.047 19.044 19.000 0.152 0.000 0.804 81 A HN 0.823 nan 8.150 nan 0.000 0.479 82 E N -1.552 118.329 120.200 -0.532 0.000 2.182 82 E HA 0.019 4.368 4.350 -0.002 0.000 0.195 82 E C 0.859 177.285 176.600 -0.290 0.000 0.933 82 E CA 0.328 56.386 56.400 -0.569 0.000 0.940 82 E CB 0.085 29.222 29.700 -0.940 0.000 0.945 82 E HN 0.588 nan 8.360 nan 0.000 0.477 83 Y N -0.576 119.702 120.300 -0.037 0.000 2.482 83 Y HA 0.357 4.906 4.550 -0.002 0.000 0.270 83 Y C 1.574 177.474 175.900 -0.001 0.000 1.152 83 Y CA 0.479 58.572 58.100 -0.011 0.000 1.292 83 Y CB 0.652 39.101 38.460 -0.017 0.000 1.070 83 Y HN 0.369 nan 8.280 nan 0.000 0.528 84 G N 0.336 109.194 108.800 0.098 0.000 2.347 84 G HA2 -0.376 3.583 3.960 -0.002 0.000 0.247 84 G HA3 -0.376 3.583 3.960 -0.002 0.000 0.247 84 G C 0.650 175.603 174.900 0.089 0.000 1.037 84 G CA 0.353 45.508 45.100 0.091 0.000 0.622 84 G HN 0.477 nan 8.290 nan 0.000 0.521 85 N N 1.328 120.073 118.700 0.074 0.000 2.255 85 N HA 0.517 5.256 4.740 -0.002 0.000 0.253 85 N C 0.385 175.821 175.510 -0.123 0.000 1.313 85 N CA 1.062 54.108 53.050 -0.005 0.000 0.912 85 N CB 0.623 39.114 38.487 0.007 0.000 1.145 85 N HN 1.298 nan 8.380 nan 0.000 0.511 86 S N -2.952 112.597 115.700 -0.253 0.000 2.752 86 S HA 0.724 5.193 4.470 -0.002 0.000 0.284 86 S C -1.224 173.200 174.600 -0.293 0.000 1.189 86 S CA -0.624 57.286 58.200 -0.483 0.000 0.835 86 S CB 0.983 63.435 63.200 -1.247 0.000 1.192 86 S HN 1.318 nan 8.310 nan 0.000 0.506 87 S N -0.183 115.349 115.700 -0.280 0.000 2.570 87 S HA 0.452 4.921 4.470 -0.002 0.000 0.286 87 S C -0.907 173.642 174.600 -0.085 0.000 1.143 87 S CA -1.010 57.105 58.200 -0.142 0.000 0.921 87 S CB -0.133 63.019 63.200 -0.080 0.000 1.108 87 S HN 0.870 nan 8.310 nan 0.000 0.456 88 I N 3.313 123.847 120.570 -0.061 0.000 2.775 88 I HA 0.041 4.210 4.170 -0.002 0.000 0.290 88 I C 0.880 177.017 176.117 0.034 0.000 1.203 88 I CA 0.205 61.505 61.300 -0.001 0.000 1.433 88 I CB 0.217 38.209 38.000 -0.014 0.000 1.354 88 I HN 0.819 nan 8.210 nan 0.000 0.579 89 F N 7.700 127.620 119.950 -0.050 0.000 2.505 89 F HA 0.262 4.788 4.527 -0.002 0.000 0.289 89 F C 0.159 175.920 175.800 -0.065 0.000 1.101 89 F CA 0.162 58.132 58.000 -0.049 0.000 1.446 89 F CB 0.589 39.569 39.000 -0.033 0.000 1.123 89 F HN 0.269 nan 8.300 nan 0.000 0.564 90 L N -0.480 120.818 121.223 0.125 0.000 2.982 90 L HA 0.313 4.652 4.340 -0.002 0.000 0.262 90 L C -0.608 176.275 176.870 0.021 0.000 0.932 90 L CA -0.773 54.076 54.840 0.014 0.000 1.058 90 L CB 0.284 42.340 42.059 -0.006 0.000 1.665 90 L HN 0.050 nan 8.230 nan 0.000 0.499 91 E N 2.336 122.534 120.200 -0.003 0.000 3.194 91 E HA -0.018 4.331 4.350 -0.002 0.000 0.343 91 E C 0.447 177.115 176.600 0.114 0.000 1.500 91 E CA 0.657 57.077 56.400 0.033 0.000 1.748 91 E CB 0.645 30.351 29.700 0.009 0.000 0.994 91 E HN 0.778 nan 8.360 nan 0.000 0.644 92 N N 0.224 118.992 118.700 0.114 0.000 2.278 92 N HA -0.095 4.644 4.740 -0.002 0.000 0.181 92 N C 0.313 175.946 175.510 0.205 0.000 1.023 92 N CA 0.726 53.892 53.050 0.192 0.000 0.862 92 N CB -0.024 38.501 38.487 0.064 0.000 1.003 92 N HN 0.297 nan 8.380 nan 0.000 0.431 93 S N 0.147 115.895 115.700 0.080 0.000 3.911 93 S HA 0.134 4.603 4.470 -0.002 0.000 0.188 93 S C 0.116 174.711 174.600 -0.007 0.000 1.147 93 S CA 0.033 58.259 58.200 0.043 0.000 0.961 93 S CB -0.345 62.868 63.200 0.022 0.000 1.582 93 S HN 0.315 nan 8.310 nan 0.000 0.458 94 T N -0.290 114.233 114.554 -0.052 0.000 3.339 94 T HA 0.163 4.512 4.350 -0.002 0.000 0.280 94 T C -0.337 174.144 174.700 -0.365 0.000 0.857 94 T CA -0.414 61.548 62.100 -0.229 0.000 0.838 94 T CB -0.201 68.385 68.868 -0.470 0.000 1.241 94 T HN 0.500 nan 8.240 nan 0.000 0.713 95 F N 3.522 123.394 119.950 -0.130 0.000 2.377 95 F HA 0.380 4.906 4.527 -0.002 0.000 0.360 95 F C 0.062 175.804 175.800 -0.097 0.000 1.147 95 F CA -0.986 56.910 58.000 -0.173 0.000 1.170 95 F CB 0.364 39.238 39.000 -0.210 0.000 1.339 95 F HN -0.069 nan 8.300 nan 0.000 0.552 96 D N 4.259 124.674 120.400 0.025 0.000 2.441 96 D HA 0.001 4.640 4.640 -0.002 0.000 0.221 96 D C 0.296 176.579 176.300 -0.028 0.000 1.156 96 D CA -0.205 53.799 54.000 0.006 0.000 0.896 96 D CB 0.719 41.518 40.800 -0.002 0.000 1.028 96 D HN 0.503 nan 8.370 nan 0.000 0.509 97 E N 2.815 123.009 120.200 -0.011 0.000 2.672 97 E HA -0.125 4.224 4.350 -0.002 0.000 0.234 97 E C 0.367 176.927 176.600 -0.066 0.000 1.162 97 E CA 0.266 56.650 56.400 -0.026 0.000 0.952 97 E CB 0.104 29.797 29.700 -0.012 0.000 0.987 97 E HN 0.536 nan 8.360 nan 0.000 0.507 98 L N 2.133 123.280 121.223 -0.127 0.000 2.737 98 L HA 0.269 4.608 4.340 -0.002 0.000 0.236 98 L C 1.165 178.021 176.870 -0.024 0.000 1.219 98 L CA 0.204 54.955 54.840 -0.149 0.000 1.021 98 L CB -0.287 41.531 42.059 -0.402 0.000 1.291 98 L HN 0.766 nan 8.230 nan 0.000 0.470 99 G N -1.581 107.209 108.800 -0.016 0.000 3.206 99 G HA2 -0.012 3.947 3.960 -0.002 0.000 0.111 99 G HA3 -0.012 3.947 3.960 -0.002 0.000 0.111 99 G C -0.204 174.538 174.900 -0.263 0.000 1.043 99 G CA -0.115 44.946 45.100 -0.066 0.000 1.273 99 G HN -0.029 nan 8.290 nan 0.000 0.502 100 Y N 0.582 120.920 120.300 0.064 0.000 2.797 100 Y HA 0.759 5.308 4.550 -0.002 0.000 0.120 100 Y C 1.629 177.543 175.900 0.023 0.000 0.876 100 Y CA 0.417 58.540 58.100 0.038 0.000 1.835 100 Y CB -0.391 38.094 38.460 0.042 0.000 1.190 100 Y HN 0.445 nan 8.280 nan 0.000 0.295 101 S N -0.432 115.415 115.700 0.246 0.000 2.713 101 S HA 0.666 5.135 4.470 -0.002 0.000 0.277 101 S C -0.065 174.602 174.600 0.111 0.000 1.168 101 S CA 0.354 58.615 58.200 0.101 0.000 0.994 101 S CB 0.615 63.837 63.200 0.038 0.000 1.054 101 S HN 0.634 nan 8.310 nan 0.000 0.555 102 T N -0.378 114.207 114.554 0.051 0.000 2.587 102 T HA 0.449 4.798 4.350 -0.002 0.000 0.282 102 T C -0.804 173.928 174.700 0.054 0.000 1.018 102 T CA -0.336 61.819 62.100 0.093 0.000 1.120 102 T CB -0.361 68.564 68.868 0.095 0.000 1.538 102 T HN 1.312 nan 8.240 nan 0.000 0.480 103 N N 0.443 119.214 118.700 0.117 0.000 4.079 103 N HA -0.227 4.512 4.740 -0.002 0.000 0.321 103 N C -0.726 174.873 175.510 0.148 0.000 1.943 103 N CA 1.315 54.461 53.050 0.159 0.000 3.186 103 N CB -1.028 37.498 38.487 0.065 0.000 0.239 103 N HN 1.183 nan 8.380 nan 0.000 0.919 104 D N -0.420 120.125 120.400 0.242 0.000 3.007 104 D HA -0.005 4.634 4.640 -0.002 0.000 0.345 104 D C -0.248 176.104 176.300 0.086 0.000 1.445 104 D CA 0.078 54.136 54.000 0.096 0.000 0.940 104 D CB -0.520 40.328 40.800 0.081 0.000 1.707 104 D HN 0.647 nan 8.370 nan 0.000 0.377 105 Y N 0.234 120.745 120.300 0.351 0.000 3.316 105 Y HA 0.124 4.673 4.550 -0.002 0.000 0.357 105 Y C -0.073 176.041 175.900 0.356 0.000 1.240 105 Y CA 0.335 58.737 58.100 0.503 0.000 1.490 105 Y CB -0.118 38.701 38.460 0.599 0.000 1.190 105 Y HN -0.025 nan 8.280 nan 0.000 0.643 106 S N 2.410 118.425 115.700 0.526 0.000 2.536 106 S HA 0.429 4.898 4.470 -0.002 0.000 0.246 106 S C -1.388 173.496 174.600 0.473 0.000 1.077 106 S CA -0.773 57.675 58.200 0.414 0.000 1.091 106 S CB 0.015 63.448 63.200 0.388 0.000 1.148 106 S HN 0.802 nan 8.310 nan 0.000 0.447 107 V N 4.883 124.943 119.914 0.244 0.000 2.715 107 V HA 0.324 4.442 4.120 -0.002 0.000 0.299 107 V C 0.910 176.703 176.094 -0.503 0.000 1.054 107 V CA -0.234 62.034 62.300 -0.054 0.000 1.077 107 V CB 1.328 33.077 31.823 -0.123 0.000 0.972 107 V HN 0.974 nan 8.190 nan 0.000 0.484 108 S N 6.531 121.549 115.700 -1.136 0.000 2.564 108 S HA 0.194 4.663 4.470 -0.002 0.000 0.278 108 S C -1.229 172.997 174.600 -0.623 0.000 1.333 108 S CA -0.879 56.278 58.200 -1.738 0.000 1.048 108 S CB 0.862 62.867 63.200 -1.992 0.000 0.900 108 S HN 0.665 nan 8.310 nan 0.000 0.505 109 P HA -0.289 nan 4.420 nan 0.000 0.218 109 P C 1.176 178.405 177.300 -0.118 0.000 1.165 109 P CA 2.092 65.105 63.100 -0.145 0.000 0.922 109 P CB -0.304 31.354 31.700 -0.070 0.000 0.794 110 D N -0.010 120.322 120.400 -0.114 0.000 2.357 110 D HA -0.214 4.425 4.640 -0.002 0.000 0.216 110 D C 0.878 177.118 176.300 -0.100 0.000 0.973 110 D CA 1.053 55.010 54.000 -0.072 0.000 0.912 110 D CB -0.787 40.005 40.800 -0.014 0.000 0.900 110 D HN 0.295 nan 8.370 nan 0.000 0.501 111 R N -1.526 118.891 120.500 -0.138 0.000 3.922 111 R HA -0.250 4.088 4.340 -0.002 0.000 0.447 111 R C 1.520 177.736 176.300 -0.140 0.000 1.035 111 R CA 1.365 57.443 56.100 -0.037 0.000 1.289 111 R CB -2.217 28.151 30.300 0.114 0.000 1.906 111 R HN 0.325 nan 8.270 nan 0.000 0.540 112 Q N -0.278 119.303 119.800 -0.364 0.000 2.119 112 Q HA 0.007 4.346 4.340 -0.002 0.000 0.201 112 Q C -0.018 175.432 176.000 -0.916 0.000 0.972 112 Q CA 1.240 56.602 55.803 -0.734 0.000 0.847 112 Q CB 0.149 28.202 28.738 -1.141 0.000 0.903 112 Q HN 0.208 nan 8.270 nan 0.000 0.433 113 F N -1.056 118.788 119.950 -0.176 0.000 2.620 113 F HA 0.522 5.048 4.527 -0.002 0.000 0.320 113 F C -0.517 175.205 175.800 -0.130 0.000 1.069 113 F CA -1.292 56.651 58.000 -0.096 0.000 0.953 113 F CB 1.477 40.493 39.000 0.027 0.000 1.322 113 F HN -0.218 nan 8.300 nan 0.000 0.479 114 I N 2.760 123.448 120.570 0.197 0.000 2.500 114 I HA 0.438 4.606 4.170 -0.002 0.000 0.286 114 I C -1.764 174.324 176.117 -0.049 0.000 1.063 114 I CA -0.968 60.365 61.300 0.055 0.000 1.062 114 I CB 1.258 39.205 38.000 -0.089 0.000 1.223 114 I HN 0.558 nan 8.210 nan 0.000 0.435 115 L N 8.625 130.060 121.223 0.354 0.000 2.319 115 L HA 0.492 4.831 4.340 -0.002 0.000 0.280 115 L C -1.482 175.572 176.870 0.307 0.000 1.099 115 L CA 0.641 55.659 54.840 0.296 0.000 0.828 115 L CB 0.421 42.713 42.059 0.389 0.000 1.150 115 L HN 0.425 nan 8.230 nan 0.000 0.442 116 F N 3.871 124.043 119.950 0.371 0.000 2.495 116 F HA 0.436 4.962 4.527 -0.002 0.000 0.327 116 F C 0.171 176.117 175.800 0.242 0.000 1.103 116 F CA -0.894 57.298 58.000 0.321 0.000 0.949 116 F CB 1.761 40.920 39.000 0.264 0.000 1.142 116 F HN 0.456 nan 8.300 nan 0.000 0.457 117 E N 4.036 124.429 120.200 0.323 0.000 2.176 117 E HA 0.356 4.705 4.350 -0.002 0.000 0.267 117 E C -1.823 174.824 176.600 0.078 0.000 0.893 117 E CA -0.566 55.745 56.400 -0.148 0.000 0.761 117 E CB 1.747 31.268 29.700 -0.299 0.000 1.133 117 E HN 0.595 nan 8.360 nan 0.000 0.409 118 Y N 1.841 122.052 120.300 -0.148 0.000 2.655 118 Y HA 0.447 4.996 4.550 -0.002 0.000 0.336 118 Y C 0.022 175.931 175.900 0.014 0.000 1.154 118 Y CA -1.459 56.640 58.100 -0.002 0.000 1.055 118 Y CB 0.837 39.329 38.460 0.054 0.000 1.295 118 Y HN 0.645 nan 8.280 nan 0.000 0.465 119 N N 0.436 119.150 118.700 0.024 0.000 2.815 119 N HA -0.269 4.469 4.740 -0.002 0.000 0.248 119 N C -1.154 174.349 175.510 -0.011 0.000 1.110 119 N CA 0.427 53.453 53.050 -0.039 0.000 0.699 119 N CB -0.880 37.406 38.487 -0.337 0.000 1.040 119 N HN 0.907 nan 8.380 nan 0.000 0.555 120 Y N 0.465 120.725 120.300 -0.066 0.000 2.721 120 Y HA 0.187 4.736 4.550 -0.002 0.000 0.329 120 Y C 0.328 176.226 175.900 -0.005 0.000 1.211 120 Y CA 0.486 58.577 58.100 -0.016 0.000 1.512 120 Y CB 0.621 39.029 38.460 -0.087 0.000 1.249 120 Y HN 0.013 nan 8.280 nan 0.000 0.549 121 V N 8.085 127.901 119.914 -0.163 0.000 2.320 121 V HA 0.124 4.243 4.120 -0.002 0.000 0.268 121 V C -0.105 175.880 176.094 -0.182 0.000 1.021 121 V CA -1.299 60.948 62.300 -0.089 0.000 0.813 121 V CB 0.662 32.432 31.823 -0.088 0.000 1.054 121 V HN 0.709 nan 8.190 nan 0.000 0.444 122 K N 2.955 123.335 120.400 -0.033 0.000 2.550 122 K HA -0.020 4.299 4.320 -0.002 0.000 0.280 122 K C 0.524 177.076 176.600 -0.080 0.000 0.987 122 K CA 0.754 57.065 56.287 0.041 0.000 1.048 122 K CB 0.932 33.593 32.500 0.268 0.000 0.879 122 K HN 0.781 nan 8.250 nan 0.000 0.491 123 Q N 3.538 123.234 119.800 -0.173 0.000 2.451 123 Q HA 0.154 4.493 4.340 -0.002 0.000 0.189 123 Q C 0.009 175.908 176.000 -0.169 0.000 0.862 123 Q CA -0.344 55.161 55.803 -0.496 0.000 0.786 123 Q CB 0.117 28.314 28.738 -0.902 0.000 1.295 123 Q HN 0.744 nan 8.270 nan 0.000 0.580 124 W N 0.052 121.327 121.300 -0.042 0.000 2.240 124 W HA 0.335 4.994 4.660 -0.002 0.000 0.576 124 W C 1.645 178.117 176.519 -0.077 0.000 1.811 124 W CA -0.831 56.498 57.345 -0.028 0.000 1.962 124 W CB -0.003 29.378 29.460 -0.132 0.000 2.620 124 W HN 0.311 nan 8.180 nan 0.000 0.753 125 R N -0.307 120.252 120.500 0.097 0.000 2.133 125 R HA -0.229 4.110 4.340 -0.002 0.000 0.245 125 R C 1.796 177.914 176.300 -0.304 0.000 1.137 125 R CA 2.487 58.454 56.100 -0.222 0.000 0.947 125 R CB -0.647 29.322 30.300 -0.551 0.000 0.865 125 R HN 0.479 nan 8.270 nan 0.000 0.437 126 H N -1.537 117.600 119.070 0.112 0.000 2.521 126 H HA 0.234 4.789 4.556 -0.002 0.000 0.267 126 H C 0.556 176.010 175.328 0.210 0.000 0.963 126 H CA 0.486 56.633 56.048 0.166 0.000 1.175 126 H CB -0.565 29.280 29.762 0.138 0.000 1.450 126 H HN 0.244 nan 8.280 nan 0.000 0.472 127 S N 1.642 117.366 115.700 0.040 0.000 2.554 127 S HA 0.164 4.633 4.470 -0.002 0.000 0.290 127 S C -0.152 174.310 174.600 -0.230 0.000 1.309 127 S CA -0.072 57.826 58.200 -0.503 0.000 1.047 127 S CB -0.160 62.277 63.200 -1.272 0.000 0.828 127 S HN 0.531 nan 8.310 nan 0.000 0.509 128 Y N -2.410 117.642 120.300 -0.413 0.000 2.717 128 Y HA 0.573 5.122 4.550 -0.002 0.000 0.345 128 Y C -0.785 174.970 175.900 -0.241 0.000 1.187 128 Y CA -0.748 57.101 58.100 -0.418 0.000 1.128 128 Y CB 0.387 38.447 38.460 -0.667 0.000 1.360 128 Y HN 0.963 nan 8.280 nan 0.000 0.467 129 T N 0.335 114.741 114.554 -0.247 0.000 2.942 129 T HA 1.036 5.385 4.350 -0.002 0.000 0.289 129 T C -0.428 174.239 174.700 -0.055 0.000 1.044 129 T CA -0.093 61.917 62.100 -0.150 0.000 1.023 129 T CB 1.752 70.565 68.868 -0.092 0.000 1.123 129 T HN 2.140 nan 8.240 nan 0.000 0.512 130 A N 0.829 123.652 122.820 0.004 0.000 2.483 130 A HA 0.716 5.035 4.320 -0.002 0.000 0.294 130 A C -0.786 176.727 177.584 -0.120 0.000 1.077 130 A CA -0.977 51.011 52.037 -0.082 0.000 0.633 130 A CB 0.666 19.610 19.000 -0.093 0.000 1.318 130 A HN 0.921 nan 8.150 nan 0.000 0.455 131 S N -0.585 114.832 115.700 -0.472 0.000 2.549 131 S HA 0.802 5.271 4.470 -0.002 0.000 0.297 131 S C -1.562 172.703 174.600 -0.558 0.000 1.115 131 S CA -0.102 57.816 58.200 -0.470 0.000 1.059 131 S CB 0.716 63.515 63.200 -0.668 0.000 1.046 131 S HN 0.447 nan 8.310 nan 0.000 0.506 132 Y N 0.487 120.718 120.300 -0.115 0.000 2.499 132 Y HA 0.503 5.052 4.550 -0.002 0.000 0.347 132 Y C -0.296 175.704 175.900 0.168 0.000 0.987 132 Y CA -1.123 57.027 58.100 0.083 0.000 1.044 132 Y CB 1.500 39.919 38.460 -0.067 0.000 1.245 132 Y HN 0.478 nan 8.280 nan 0.000 0.461 133 D N 2.629 123.261 120.400 0.386 0.000 2.649 133 D HA 0.423 5.062 4.640 -0.002 0.000 0.249 133 D C -0.783 175.615 176.300 0.163 0.000 1.112 133 D CA -0.294 53.852 54.000 0.243 0.000 0.850 133 D CB 2.515 43.466 40.800 0.252 0.000 1.399 133 D HN 0.409 nan 8.370 nan 0.000 0.503 134 I N 2.397 123.005 120.570 0.064 0.000 2.297 134 I HA 0.149 4.318 4.170 -0.002 0.000 0.291 134 I C -0.394 175.749 176.117 0.042 0.000 1.033 134 I CA -0.717 60.607 61.300 0.040 0.000 1.253 134 I CB 0.475 38.464 38.000 -0.018 0.000 1.396 134 I HN 0.244 nan 8.210 nan 0.000 0.476 135 Y N 6.349 126.568 120.300 -0.136 0.000 2.341 135 Y HA 0.173 4.722 4.550 -0.002 0.000 0.340 135 Y C 0.390 176.317 175.900 0.045 0.000 0.997 135 Y CA -0.556 57.494 58.100 -0.083 0.000 1.149 135 Y CB 0.766 39.109 38.460 -0.195 0.000 1.171 135 Y HN 0.503 nan 8.280 nan 0.000 0.494 136 D N 6.003 126.449 120.400 0.077 0.000 2.348 136 D HA 0.046 4.685 4.640 -0.002 0.000 0.253 136 D C 0.536 176.997 176.300 0.267 0.000 1.161 136 D CA 0.301 54.461 54.000 0.268 0.000 0.876 136 D CB 1.196 42.085 40.800 0.149 0.000 1.160 136 D HN 0.843 nan 8.370 nan 0.000 0.459 137 L N 3.590 124.912 121.223 0.165 0.000 2.270 137 L HA -0.037 4.302 4.340 -0.002 0.000 0.210 137 L C 2.090 178.948 176.870 -0.020 0.000 1.104 137 L CA 0.123 55.022 54.840 0.098 0.000 0.804 137 L CB -0.266 41.787 42.059 -0.009 0.000 0.937 137 L HN 0.381 nan 8.230 nan 0.000 0.450 138 N N 1.707 120.346 118.700 -0.101 0.000 2.105 138 N HA -0.157 4.582 4.740 -0.002 0.000 0.190 138 N C 1.445 176.923 175.510 -0.052 0.000 1.066 138 N CA 1.355 54.338 53.050 -0.111 0.000 0.861 138 N CB -0.344 38.045 38.487 -0.163 0.000 1.048 138 N HN 0.316 nan 8.380 nan 0.000 0.442 139 K N 1.840 122.216 120.400 -0.041 0.000 2.665 139 K HA 0.058 4.377 4.320 -0.002 0.000 0.196 139 K C -0.354 176.229 176.600 -0.029 0.000 1.021 139 K CA 0.178 56.446 56.287 -0.031 0.000 1.066 139 K CB -0.313 32.170 32.500 -0.028 0.000 0.849 139 K HN 0.095 nan 8.250 nan 0.000 0.500 140 R N 1.536 122.043 120.500 0.011 0.000 2.747 140 R HA -0.221 4.118 4.340 -0.002 0.000 0.236 140 R C -0.867 175.386 176.300 -0.080 0.000 0.819 140 R CA 0.866 57.023 56.100 0.095 0.000 0.575 140 R CB -1.430 28.939 30.300 0.115 0.000 1.219 140 R HN 0.627 nan 8.270 nan 0.000 0.518 141 Q N 0.040 119.582 119.800 -0.429 0.000 2.522 141 Q HA 0.330 4.668 4.340 -0.002 0.000 0.285 141 Q C -1.023 174.437 176.000 -0.900 0.000 0.982 141 Q CA -1.030 54.431 55.803 -0.570 0.000 0.805 141 Q CB 2.377 30.969 28.738 -0.244 0.000 1.457 141 Q HN 0.326 nan 8.270 nan 0.000 0.394 142 L N 2.932 123.754 121.223 -0.668 0.000 2.325 142 L HA 0.275 4.614 4.340 -0.002 0.000 0.284 142 L C -0.618 176.130 176.870 -0.204 0.000 1.089 142 L CA -0.649 53.945 54.840 -0.410 0.000 0.836 142 L CB 0.242 42.218 42.059 -0.139 0.000 1.184 142 L HN 0.589 nan 8.230 nan 0.000 0.444 143 I N 4.709 125.184 120.570 -0.158 0.000 2.943 143 I HA -0.151 4.018 4.170 -0.002 0.000 0.296 143 I C 1.628 177.698 176.117 -0.077 0.000 1.220 143 I CA 1.002 62.240 61.300 -0.105 0.000 1.409 143 I CB 0.901 38.840 38.000 -0.102 0.000 1.374 143 I HN 0.715 nan 8.210 nan 0.000 0.545 144 T N 1.938 116.450 114.554 -0.070 0.000 3.034 144 T HA 0.116 4.465 4.350 -0.002 0.000 0.248 144 T C 0.546 175.215 174.700 -0.052 0.000 1.040 144 T CA -0.331 61.737 62.100 -0.053 0.000 1.107 144 T CB -0.036 68.802 68.868 -0.048 0.000 0.932 144 T HN 0.547 nan 8.240 nan 0.000 0.474 145 E N 2.434 122.601 120.200 -0.056 0.000 2.259 145 E HA 0.204 4.553 4.350 -0.002 0.000 0.281 145 E C -0.462 176.098 176.600 -0.067 0.000 1.027 145 E CA -0.300 56.068 56.400 -0.054 0.000 0.838 145 E CB 0.641 30.314 29.700 -0.045 0.000 1.066 145 E HN 0.251 nan 8.360 nan 0.000 0.401 146 E N 0.873 121.030 120.200 -0.071 0.000 2.596 146 E HA -0.152 4.197 4.350 -0.002 0.000 0.272 146 E C 0.160 176.687 176.600 -0.120 0.000 1.039 146 E CA 0.549 56.895 56.400 -0.090 0.000 0.804 146 E CB -1.174 28.480 29.700 -0.077 0.000 1.373 146 E HN 0.828 nan 8.360 nan 0.000 0.404 147 R N 0.346 120.777 120.500 -0.116 0.000 2.924 147 R HA 0.155 4.494 4.340 -0.002 0.000 0.272 147 R C 0.580 176.744 176.300 -0.226 0.000 1.012 147 R CA 0.187 56.208 56.100 -0.131 0.000 1.171 147 R CB 0.166 30.414 30.300 -0.086 0.000 1.086 147 R HN 0.210 nan 8.270 nan 0.000 0.489 148 I N 1.996 122.408 120.570 -0.265 0.000 2.331 148 I HA 0.201 4.370 4.170 -0.002 0.000 0.292 148 I C -1.742 174.103 176.117 -0.452 0.000 0.998 148 I CA -2.475 58.537 61.300 -0.480 0.000 1.267 148 I CB 1.509 39.182 38.000 -0.545 0.000 1.386 148 I HN 0.449 nan 8.210 nan 0.000 0.476 149 P HA -0.102 nan 4.420 nan 0.000 0.265 149 P C -0.873 176.265 177.300 -0.271 0.000 1.167 149 P CA 0.297 62.996 63.100 -0.667 0.000 0.760 149 P CB 0.207 30.934 31.700 -1.621 0.000 0.783 150 N N 3.406 122.062 118.700 -0.074 0.000 2.508 150 N HA 0.031 4.770 4.740 -0.002 0.000 0.264 150 N C 0.392 175.999 175.510 0.161 0.000 1.216 150 N CA 0.227 53.292 53.050 0.024 0.000 0.943 150 N CB -0.048 38.467 38.487 0.047 0.000 1.113 150 N HN 0.421 nan 8.380 nan 0.000 0.447 151 N N -0.709 118.055 118.700 0.107 0.000 2.862 151 N HA -0.138 4.600 4.740 -0.002 0.000 0.248 151 N C -0.814 174.826 175.510 0.216 0.000 1.116 151 N CA 0.588 53.717 53.050 0.132 0.000 0.727 151 N CB -1.709 36.854 38.487 0.127 0.000 1.083 151 N HN 0.486 nan 8.380 nan 0.000 0.555 152 T N 0.773 115.439 114.554 0.186 0.000 2.918 152 T HA 0.112 4.461 4.350 -0.002 0.000 0.302 152 T C 1.730 176.502 174.700 0.119 0.000 1.045 152 T CA 0.175 62.374 62.100 0.164 0.000 1.114 152 T CB 1.126 69.938 68.868 -0.093 0.000 0.965 152 T HN 0.163 nan 8.240 nan 0.000 0.540 153 Q N 0.991 120.877 119.800 0.142 0.000 2.376 153 Q HA 0.195 4.534 4.340 -0.002 0.000 0.206 153 Q C 0.052 176.182 176.000 0.217 0.000 0.921 153 Q CA 0.197 56.108 55.803 0.180 0.000 0.911 153 Q CB 0.939 29.792 28.738 0.191 0.000 1.032 153 Q HN 0.684 nan 8.270 nan 0.000 0.510 154 W N -0.321 120.900 121.300 -0.131 0.000 3.319 154 W HA 0.518 5.177 4.660 -0.002 0.000 0.300 154 W C -2.365 174.053 176.519 -0.169 0.000 1.244 154 W CA -0.654 56.587 57.345 -0.173 0.000 1.193 154 W CB 1.007 30.318 29.460 -0.247 0.000 1.359 154 W HN -0.110 nan 8.180 nan 0.000 0.568 155 I N 3.327 123.244 120.570 -1.089 0.000 2.908 155 I HA 0.578 4.747 4.170 -0.002 0.000 0.300 155 I C -1.472 174.109 176.117 -0.894 0.000 1.385 155 I CA -0.095 60.720 61.300 -0.808 0.000 1.004 155 I CB 2.573 40.011 38.000 -0.936 0.000 1.309 155 I HN 0.361 nan 8.210 nan 0.000 0.449 156 T N 3.990 118.283 114.554 -0.434 0.000 3.225 156 T HA 0.386 4.735 4.350 -0.002 0.000 0.356 156 T C -1.548 173.136 174.700 -0.027 0.000 1.460 156 T CA -0.355 61.637 62.100 -0.180 0.000 1.126 156 T CB 0.471 69.416 68.868 0.129 0.000 1.321 156 T HN 0.517 nan 8.240 nan 0.000 0.478 157 W N 2.649 123.975 121.300 0.043 0.000 1.966 157 W HA 0.554 5.213 4.660 -0.002 0.000 0.367 157 W C 1.176 177.515 176.519 -0.301 0.000 1.451 157 W CA -0.322 56.981 57.345 -0.069 0.000 1.538 157 W CB 0.385 29.819 29.460 -0.044 0.000 1.251 157 W HN 0.804 nan 8.180 nan 0.000 0.671 158 S N -0.182 115.291 115.700 -0.379 0.000 2.693 158 S HA 0.331 4.800 4.470 -0.002 0.000 0.276 158 S C -2.075 172.368 174.600 -0.261 0.000 1.192 158 S CA -1.109 56.517 58.200 -0.955 0.000 0.994 158 S CB 1.144 63.557 63.200 -1.310 0.000 1.012 158 S HN 0.171 nan 8.310 nan 0.000 0.550 159 P HA -0.013 nan 4.420 nan 0.000 0.214 159 P C 0.754 178.026 177.300 -0.047 0.000 1.162 159 P CA 0.861 63.950 63.100 -0.018 0.000 0.879 159 P CB -0.202 31.507 31.700 0.015 0.000 0.786 160 V N -5.161 114.696 119.914 -0.094 0.000 3.336 160 V HA 0.782 4.901 4.120 -0.002 0.000 0.314 160 V C 0.987 177.014 176.094 -0.112 0.000 1.088 160 V CA -0.363 61.892 62.300 -0.075 0.000 1.033 160 V CB -0.014 31.774 31.823 -0.059 0.000 1.181 160 V HN 0.504 nan 8.190 nan 0.000 0.449 161 G N 0.845 109.602 108.800 -0.072 0.000 2.582 161 G HA2 -0.273 3.686 3.960 -0.002 0.000 0.300 161 G HA3 -0.273 3.686 3.960 -0.002 0.000 0.300 161 G C 0.353 175.247 174.900 -0.011 0.000 1.300 161 G CA 0.887 45.946 45.100 -0.067 0.000 0.959 161 G HN 2.423 nan 8.290 nan 0.000 0.548 162 H N -0.394 118.718 119.070 0.069 0.000 2.750 162 H HA 0.419 4.974 4.556 -0.002 0.000 0.239 162 H C 0.669 176.263 175.328 0.444 0.000 1.210 162 H CA 0.007 56.197 56.048 0.237 0.000 0.936 162 H CB -0.185 29.827 29.762 0.418 0.000 2.074 162 H HN 0.543 nan 8.280 nan 0.000 0.622 163 K N 1.077 121.469 120.400 -0.012 0.000 2.202 163 K HA 0.505 4.824 4.320 -0.002 0.000 0.238 163 K C -0.144 176.485 176.600 0.047 0.000 1.070 163 K CA -0.255 55.988 56.287 -0.073 0.000 0.859 163 K CB 0.928 33.200 32.500 -0.379 0.000 1.140 163 K HN 0.095 nan 8.250 nan 0.000 0.515 164 L N -1.114 120.137 121.223 0.047 0.000 2.671 164 L HA 0.598 4.937 4.340 -0.002 0.000 0.259 164 L C -1.726 175.331 176.870 0.311 0.000 1.021 164 L CA -1.011 53.855 54.840 0.042 0.000 0.871 164 L CB 2.323 44.278 42.059 -0.172 0.000 1.472 164 L HN 0.797 nan 8.230 nan 0.000 0.410 165 A N 1.462 124.425 122.820 0.238 0.000 2.532 165 A HA 0.747 5.066 4.320 -0.002 0.000 0.296 165 A C -1.942 175.647 177.584 0.008 0.000 1.058 165 A CA -0.411 51.660 52.037 0.056 0.000 0.729 165 A CB 1.283 20.271 19.000 -0.019 0.000 1.285 165 A HN 0.689 nan 8.150 nan 0.000 0.396 166 Y N -0.848 119.412 120.300 -0.067 0.000 2.689 166 Y HA 0.848 5.397 4.550 -0.002 0.000 0.333 166 Y C -1.131 174.791 175.900 0.037 0.000 1.190 166 Y CA -1.692 56.354 58.100 -0.090 0.000 1.063 166 Y CB 1.108 39.434 38.460 -0.223 0.000 1.294 166 Y HN 0.506 nan 8.280 nan 0.000 0.466 167 V N 1.234 121.322 119.914 0.290 0.000 2.487 167 V HA 0.338 4.457 4.120 -0.002 0.000 0.298 167 V C -1.683 174.644 176.094 0.388 0.000 1.028 167 V CA -0.590 61.860 62.300 0.250 0.000 0.860 167 V CB 1.543 33.417 31.823 0.085 0.000 0.991 167 V HN 0.833 nan 8.190 nan 0.000 0.427 168 W N 5.383 126.799 121.300 0.194 0.000 2.756 168 W HA 0.485 5.144 4.660 -0.002 0.000 0.333 168 W C 0.290 176.860 176.519 0.084 0.000 1.025 168 W CA -0.809 56.584 57.345 0.081 0.000 1.246 168 W CB 1.082 30.502 29.460 -0.066 0.000 1.358 168 W HN 0.808 nan 8.180 nan 0.000 0.444 169 N N 5.593 124.065 118.700 -0.380 0.000 2.756 169 N HA -0.320 4.419 4.740 -0.002 0.000 0.248 169 N C 0.072 175.478 175.510 -0.174 0.000 1.062 169 N CA 0.956 53.760 53.050 -0.411 0.000 0.696 169 N CB -1.154 36.900 38.487 -0.722 0.000 0.946 169 N HN 0.867 nan 8.380 nan 0.000 0.548 170 N N -1.385 117.273 118.700 -0.069 0.000 2.741 170 N HA -0.183 4.556 4.740 -0.002 0.000 0.251 170 N C -1.364 174.122 175.510 -0.039 0.000 1.112 170 N CA 1.079 54.110 53.050 -0.033 0.000 0.750 170 N CB -0.345 38.071 38.487 -0.118 0.000 1.119 170 N HN 0.465 nan 8.380 nan 0.000 0.561 171 D N 0.331 120.726 120.400 -0.009 0.000 2.527 171 D HA 0.480 5.119 4.640 -0.002 0.000 0.233 171 D C 0.044 176.238 176.300 -0.176 0.000 1.063 171 D CA -0.412 53.501 54.000 -0.145 0.000 0.880 171 D CB 1.784 42.442 40.800 -0.237 0.000 1.457 171 D HN -0.005 nan 8.370 nan 0.000 0.475 172 I N 1.630 121.910 120.570 -0.483 0.000 2.385 172 I HA 0.272 4.441 4.170 -0.002 0.000 0.294 172 I C -0.653 174.961 176.117 -0.839 0.000 0.988 172 I CA -0.502 60.485 61.300 -0.522 0.000 1.265 172 I CB 0.624 38.257 38.000 -0.612 0.000 1.388 172 I HN 0.189 nan 8.210 nan 0.000 0.480 173 Y N 4.171 124.058 120.300 -0.688 0.000 2.630 173 Y HA 0.756 5.305 4.550 -0.002 0.000 0.337 173 Y C -0.277 175.216 175.900 -0.678 0.000 1.051 173 Y CA -1.060 56.573 58.100 -0.779 0.000 1.121 173 Y CB 1.862 39.592 38.460 -1.217 0.000 1.299 173 Y HN 0.101 nan 8.280 nan 0.000 0.498 174 V N 1.257 121.005 119.914 -0.276 0.000 2.777 174 V HA 0.388 4.507 4.120 -0.002 0.000 0.306 174 V C -1.170 174.923 176.094 -0.002 0.000 1.112 174 V CA -1.530 60.710 62.300 -0.100 0.000 0.917 174 V CB 2.066 33.868 31.823 -0.036 0.000 1.018 174 V HN 0.605 nan 8.190 nan 0.000 0.426 175 K N 3.037 123.473 120.400 0.060 0.000 2.449 175 K HA 0.452 4.770 4.320 -0.002 0.000 0.257 175 K C 0.515 177.145 176.600 0.050 0.000 0.989 175 K CA -0.279 56.038 56.287 0.051 0.000 0.916 175 K CB 1.426 33.950 32.500 0.040 0.000 1.136 175 K HN 0.636 nan 8.250 nan 0.000 0.439 176 N N 1.439 120.165 118.700 0.043 0.000 2.457 176 N HA -0.061 4.677 4.740 -0.002 0.000 0.180 176 N C -0.487 175.064 175.510 0.067 0.000 1.050 176 N CA 0.693 53.754 53.050 0.018 0.000 0.906 176 N CB 0.446 38.944 38.487 0.018 0.000 0.968 176 N HN 0.411 nan 8.380 nan 0.000 0.445 177 E N -0.691 119.556 120.200 0.079 0.000 2.291 177 E HA 0.172 4.521 4.350 -0.002 0.000 0.276 177 E C -2.265 174.300 176.600 -0.057 0.000 0.896 177 E CA -1.689 54.761 56.400 0.082 0.000 0.774 177 E CB 2.131 31.878 29.700 0.078 0.000 1.227 177 E HN -0.116 nan 8.360 nan 0.000 0.413 178 P HA -0.055 nan 4.420 nan 0.000 0.239 178 P C 0.672 177.852 177.300 -0.201 0.000 1.184 178 P CA 0.843 63.776 63.100 -0.280 0.000 0.760 178 P CB 0.297 31.668 31.700 -0.547 0.000 0.884 179 N N -2.311 116.304 118.700 -0.143 0.000 2.317 179 N HA 0.030 4.769 4.740 -0.002 0.000 0.199 179 N C 0.642 176.121 175.510 -0.052 0.000 1.145 179 N CA 0.219 53.216 53.050 -0.088 0.000 0.882 179 N CB -0.140 38.309 38.487 -0.064 0.000 1.113 179 N HN 0.026 nan 8.380 nan 0.000 0.486 180 L N 1.344 122.546 121.223 -0.036 0.000 2.777 180 L HA 0.346 4.685 4.340 -0.002 0.000 0.195 180 L C 0.395 177.253 176.870 -0.020 0.000 1.190 180 L CA -0.025 54.806 54.840 -0.015 0.000 0.933 180 L CB -0.113 41.949 42.059 0.006 0.000 1.758 180 L HN 0.023 nan 8.230 nan 0.000 0.515 181 S N -0.410 115.287 115.700 -0.005 0.000 2.451 181 S HA 0.327 4.796 4.470 -0.002 0.000 0.301 181 S C 0.096 174.706 174.600 0.017 0.000 1.116 181 S CA -0.668 57.531 58.200 -0.002 0.000 1.093 181 S CB 1.511 64.713 63.200 0.002 0.000 1.017 181 S HN 0.644 nan 8.310 nan 0.000 0.482 182 S N 2.651 118.370 115.700 0.032 0.000 2.589 182 S HA 0.143 4.612 4.470 -0.002 0.000 0.256 182 S C -0.126 174.502 174.600 0.047 0.000 1.383 182 S CA -0.367 57.868 58.200 0.058 0.000 0.983 182 S CB 0.140 63.421 63.200 0.134 0.000 0.908 182 S HN 0.745 nan 8.310 nan 0.000 0.572 183 Q N -0.048 119.755 119.800 0.006 0.000 2.337 183 Q HA 0.323 4.661 4.340 -0.002 0.000 0.260 183 Q C -0.645 175.236 176.000 -0.199 0.000 0.982 183 Q CA -0.361 55.419 55.803 -0.038 0.000 0.734 183 Q CB 1.154 29.872 28.738 -0.034 0.000 1.272 183 Q HN 0.693 nan 8.270 nan 0.000 0.461 184 R N 4.304 124.620 120.500 -0.308 0.000 2.537 184 R HA -0.005 4.334 4.340 -0.002 0.000 0.281 184 R C 0.163 176.082 176.300 -0.634 0.000 0.988 184 R CA 0.474 56.050 56.100 -0.873 0.000 1.077 184 R CB 0.465 30.044 30.300 -1.201 0.000 0.932 184 R HN 0.747 nan 8.270 nan 0.000 0.409 185 I N 2.118 122.240 120.570 -0.747 0.000 3.790 185 I HA -0.009 4.160 4.170 -0.002 0.000 0.305 185 I C 0.871 176.714 176.117 -0.456 0.000 1.253 185 I CA 0.787 61.797 61.300 -0.484 0.000 1.355 185 I CB -0.213 37.467 38.000 -0.535 0.000 1.137 185 I HN 0.586 nan 8.210 nan 0.000 0.435 186 T N -3.551 110.607 114.554 -0.660 0.000 2.876 186 T HA 0.408 4.757 4.350 -0.002 0.000 0.289 186 T C -0.628 173.724 174.700 -0.580 0.000 1.014 186 T CA -0.483 61.355 62.100 -0.436 0.000 0.986 186 T CB 1.735 70.389 68.868 -0.356 0.000 1.021 186 T HN 0.146 nan 8.240 nan 0.000 0.458 187 W N 0.896 122.094 121.300 -0.171 0.000 2.862 187 W HA 0.236 4.895 4.660 -0.001 0.000 0.376 187 W C 1.741 178.209 176.519 -0.085 0.000 1.028 187 W CA -0.297 56.978 57.345 -0.117 0.000 1.757 187 W CB 0.277 29.678 29.460 -0.097 0.000 1.128 187 W HN 0.900 nan 8.180 nan 0.000 0.566 188 T N -2.795 111.798 114.554 0.064 0.000 3.060 188 T HA 0.265 4.614 4.350 -0.002 0.000 0.249 188 T C 1.340 176.029 174.700 -0.017 0.000 1.079 188 T CA 0.128 62.249 62.100 0.035 0.000 1.013 188 T CB -0.170 68.719 68.868 0.036 0.000 0.975 188 T HN 0.019 nan 8.240 nan 0.000 0.518 189 G N 1.555 110.320 108.800 -0.057 0.000 2.257 189 G HA2 0.284 4.243 3.960 -0.002 0.000 0.235 189 G HA3 0.284 4.243 3.960 -0.002 0.000 0.235 189 G C -0.481 174.350 174.900 -0.115 0.000 1.225 189 G CA -0.207 44.838 45.100 -0.091 0.000 0.878 189 G HN 0.590 nan 8.290 nan 0.000 0.505 190 K N 2.032 122.327 120.400 -0.176 0.000 2.592 190 K HA 0.138 4.457 4.320 -0.002 0.000 0.265 190 K C -0.125 176.310 176.600 -0.275 0.000 1.006 190 K CA -0.666 55.511 56.287 -0.184 0.000 0.907 190 K CB 1.139 33.566 32.500 -0.122 0.000 1.309 190 K HN 0.704 nan 8.250 nan 0.000 0.452 191 E N 3.966 124.029 120.200 -0.228 0.000 2.900 191 E HA -0.227 4.122 4.350 -0.002 0.000 0.259 191 E C -0.362 176.127 176.600 -0.185 0.000 0.918 191 E CA 1.438 57.715 56.400 -0.205 0.000 0.960 191 E CB -0.032 29.592 29.700 -0.126 0.000 0.908 191 E HN 0.790 nan 8.360 nan 0.000 0.511 192 N N 1.439 120.042 118.700 -0.162 0.000 2.713 192 N HA -0.276 4.463 4.740 -0.002 0.000 0.251 192 N C 0.058 175.563 175.510 -0.008 0.000 1.117 192 N CA 0.532 53.596 53.050 0.024 0.000 0.770 192 N CB -0.484 38.038 38.487 0.060 0.000 1.137 192 N HN 0.324 nan 8.380 nan 0.000 0.566 193 V N -1.131 118.660 119.914 -0.205 0.000 3.629 193 V HA 0.267 4.386 4.120 -0.002 0.000 0.194 193 V C 0.117 176.168 176.094 -0.071 0.000 1.343 193 V CA 0.361 62.621 62.300 -0.067 0.000 1.292 193 V CB 0.778 32.567 31.823 -0.057 0.000 1.287 193 V HN 0.073 nan 8.190 nan 0.000 0.554 194 I N 1.100 121.531 120.570 -0.231 0.000 2.436 194 I HA 0.484 4.653 4.170 -0.002 0.000 0.289 194 I C -1.583 174.414 176.117 -0.199 0.000 1.010 194 I CA -0.446 60.805 61.300 -0.082 0.000 1.098 194 I CB 1.379 39.364 38.000 -0.025 0.000 1.266 194 I HN 0.261 nan 8.210 nan 0.000 0.434 195 Y N 4.562 124.941 120.300 0.132 0.000 2.331 195 Y HA 0.428 4.977 4.550 -0.002 0.000 0.334 195 Y C 0.257 176.247 175.900 0.150 0.000 0.960 195 Y CA -0.873 57.316 58.100 0.148 0.000 1.130 195 Y CB 1.320 39.912 38.460 0.221 0.000 1.164 195 Y HN 0.398 nan 8.280 nan 0.000 0.458 196 N N 1.987 120.813 118.700 0.210 0.000 2.443 196 N HA 0.407 5.146 4.740 -0.002 0.000 0.269 196 N C 0.777 176.339 175.510 0.086 0.000 0.985 196 N CA 0.479 53.632 53.050 0.171 0.000 0.921 196 N CB 1.920 40.435 38.487 0.046 0.000 1.195 196 N HN 0.986 nan 8.380 nan 0.000 0.492 197 G N 0.524 109.401 108.800 0.128 0.000 2.299 197 G HA2 -0.289 3.669 3.960 -0.002 0.000 0.237 197 G HA3 -0.289 3.669 3.960 -0.002 0.000 0.237 197 G C 0.083 174.893 174.900 -0.151 0.000 1.027 197 G CA 0.624 45.699 45.100 -0.042 0.000 0.619 197 G HN 0.708 nan 8.290 nan 0.000 0.513 198 V N -0.974 118.876 119.914 -0.107 0.000 3.046 198 V HA 0.960 5.079 4.120 -0.002 0.000 0.316 198 V C 0.298 176.340 176.094 -0.087 0.000 1.104 198 V CA 0.225 62.300 62.300 -0.375 0.000 1.006 198 V CB 1.621 32.932 31.823 -0.854 0.000 1.058 198 V HN 1.166 nan 8.190 nan 0.000 0.440 199 T N 0.200 114.621 114.554 -0.222 0.000 2.922 199 T HA 0.482 4.831 4.350 -0.002 0.000 0.285 199 T C -0.103 174.276 174.700 -0.535 0.000 1.005 199 T CA -0.319 61.474 62.100 -0.511 0.000 1.061 199 T CB 1.156 69.752 68.868 -0.454 0.000 1.007 199 T HN 1.060 nan 8.240 nan 0.000 0.502 200 D N 0.965 120.773 120.400 -0.987 0.000 2.356 200 D HA -0.043 4.596 4.640 -0.002 0.000 0.258 200 D C 0.954 177.083 176.300 -0.285 0.000 1.279 200 D CA -0.834 52.626 54.000 -0.901 0.000 1.016 200 D CB 0.235 40.565 40.800 -0.783 0.000 1.107 200 D HN 0.707 nan 8.370 nan 0.000 0.544 201 W N -0.155 121.030 121.300 -0.192 0.000 2.355 201 W HA -0.169 4.490 4.660 -0.002 0.000 0.309 201 W C 2.179 178.569 176.519 -0.214 0.000 1.206 201 W CA 1.682 58.945 57.345 -0.137 0.000 1.284 201 W CB -0.429 28.925 29.460 -0.176 0.000 1.145 201 W HN 0.159 nan 8.180 nan 0.000 0.502 202 V N -0.094 119.866 119.914 0.076 0.000 2.548 202 V HA -0.264 3.855 4.120 -0.002 0.000 0.249 202 V C 1.802 177.700 176.094 -0.327 0.000 1.055 202 V CA 1.674 63.917 62.300 -0.096 0.000 1.065 202 V CB -0.694 31.128 31.823 -0.002 0.000 0.681 202 V HN 0.232 nan 8.190 nan 0.000 0.462 203 Y N 0.530 120.515 120.300 -0.525 0.000 2.314 203 Y HA -0.118 4.431 4.550 -0.002 0.000 0.293 203 Y C 2.520 178.068 175.900 -0.586 0.000 1.129 203 Y CA 1.746 59.428 58.100 -0.697 0.000 1.201 203 Y CB -0.146 37.646 38.460 -1.114 0.000 0.999 203 Y HN 0.380 nan 8.280 nan 0.000 0.541 204 E N 0.192 120.192 120.200 -0.333 0.000 2.047 204 E HA -0.263 4.086 4.350 -0.002 0.000 0.191 204 E C 1.964 178.438 176.600 -0.211 0.000 0.987 204 E CA 1.457 57.742 56.400 -0.192 0.000 0.799 204 E CB 0.068 29.685 29.700 -0.138 0.000 0.752 204 E HN 0.377 nan 8.360 nan 0.000 0.449 205 E N 0.415 120.315 120.200 -0.500 0.000 2.033 205 E HA -0.133 4.216 4.350 -0.002 0.000 0.189 205 E C 1.466 177.899 176.600 -0.278 0.000 0.979 205 E CA 1.441 57.545 56.400 -0.494 0.000 0.802 205 E CB 0.183 29.265 29.700 -1.031 0.000 0.763 205 E HN 0.207 nan 8.360 nan 0.000 0.449 206 E N -0.743 119.268 120.200 -0.314 0.000 2.481 206 E HA 0.103 4.452 4.350 -0.002 0.000 0.198 206 E C 1.091 177.530 176.600 -0.268 0.000 1.027 206 E CA 0.183 56.451 56.400 -0.220 0.000 0.900 206 E CB 1.436 31.013 29.700 -0.205 0.000 0.993 206 E HN 0.183 nan 8.360 nan 0.000 0.482 207 V N -0.761 118.960 119.914 -0.322 0.000 3.350 207 V HA 0.086 4.205 4.120 -0.002 0.000 0.246 207 V C 0.969 177.167 176.094 0.174 0.000 1.363 207 V CA 0.378 62.513 62.300 -0.274 0.000 1.162 207 V CB 0.174 31.536 31.823 -0.769 0.000 0.947 207 V HN 0.056 nan 8.190 nan 0.000 0.454 208 F N 0.050 119.961 119.950 -0.064 0.000 2.752 208 F HA 0.392 4.918 4.527 -0.002 0.000 0.310 208 F C 1.485 177.250 175.800 -0.059 0.000 1.097 208 F CA -0.274 57.722 58.000 -0.007 0.000 1.238 208 F CB -0.327 38.701 39.000 0.046 0.000 1.061 208 F HN 0.077 nan 8.300 nan 0.000 0.591 209 S N 0.773 116.535 115.700 0.103 0.000 3.631 209 S HA 0.084 4.553 4.470 -0.002 0.000 0.366 209 S C 0.125 174.515 174.600 -0.350 0.000 0.993 209 S CA 0.552 58.749 58.200 -0.004 0.000 1.167 209 S CB -1.641 61.562 63.200 0.004 0.000 0.909 209 S HN 0.726 nan 8.310 nan 0.000 0.478 210 A N -0.409 122.329 122.820 -0.137 0.000 2.566 210 A HA 0.710 5.028 4.320 -0.002 0.000 0.290 210 A C -0.431 177.180 177.584 0.044 0.000 1.071 210 A CA -0.430 51.503 52.037 -0.173 0.000 0.658 210 A CB 0.227 19.153 19.000 -0.123 0.000 1.285 210 A HN 0.479 nan 8.150 nan 0.000 0.427 211 Y N 1.000 121.159 120.300 -0.235 0.000 2.503 211 Y HA 0.285 4.834 4.550 -0.002 0.000 0.277 211 Y C 1.471 177.112 175.900 -0.432 0.000 1.102 211 Y CA 0.675 58.622 58.100 -0.256 0.000 1.261 211 Y CB 0.039 38.377 38.460 -0.204 0.000 1.096 211 Y HN 0.775 nan 8.280 nan 0.000 0.546 212 S N 0.858 116.081 115.700 -0.795 0.000 2.549 212 S HA 0.437 4.906 4.470 -0.002 0.000 0.283 212 S C 0.451 174.711 174.600 -0.567 0.000 1.320 212 S CA 0.214 57.770 58.200 -1.072 0.000 1.058 212 S CB 0.790 63.126 63.200 -1.439 0.000 0.882 212 S HN 0.454 nan 8.310 nan 0.000 0.498 213 A N 3.858 126.330 122.820 -0.580 0.000 2.585 213 A HA 0.502 4.821 4.320 -0.002 0.000 0.281 213 A C -0.547 176.518 177.584 -0.864 0.000 0.945 213 A CA -0.570 51.188 52.037 -0.465 0.000 1.031 213 A CB -0.352 18.765 19.000 0.195 0.000 1.221 213 A HN 1.071 nan 8.150 nan 0.000 0.496 214 L N -4.881 115.675 121.223 -1.112 0.000 2.401 214 L HA 0.919 5.258 4.340 -0.002 0.000 0.266 214 L C -1.416 174.994 176.870 -0.766 0.000 0.991 214 L CA -1.224 53.190 54.840 -0.711 0.000 0.818 214 L CB 1.038 42.903 42.059 -0.325 0.000 1.321 214 L HN 0.184 nan 8.230 nan 0.000 0.413 215 W N 2.182 123.536 121.300 0.092 0.000 2.687 215 W HA 0.321 4.979 4.660 -0.002 0.000 0.328 215 W C -1.389 175.318 176.519 0.314 0.000 1.012 215 W CA -0.803 56.685 57.345 0.238 0.000 1.262 215 W CB 1.427 31.066 29.460 0.299 0.000 1.331 215 W HN 0.637 nan 8.180 nan 0.000 0.433 216 W N 2.379 123.909 121.300 0.382 0.000 2.170 216 W HA 0.229 4.888 4.660 -0.002 0.000 0.336 216 W C 1.228 177.666 176.519 -0.135 0.000 1.283 216 W CA 0.389 57.835 57.345 0.168 0.000 1.224 216 W CB 0.859 30.379 29.460 0.100 0.000 1.132 216 W HN 0.167 nan 8.180 nan 0.000 0.571 217 S N 2.250 117.779 115.700 -0.284 0.000 2.632 217 S HA 0.313 4.781 4.470 -0.002 0.000 0.271 217 S C -1.895 172.449 174.600 -0.427 0.000 1.260 217 S CA -1.204 56.202 58.200 -1.324 0.000 1.010 217 S CB 1.478 63.610 63.200 -1.779 0.000 0.965 217 S HN 0.252 nan 8.310 nan 0.000 0.534 218 P HA -0.187 nan 4.420 nan 0.000 0.218 218 P C 0.851 178.112 177.300 -0.065 0.000 1.165 218 P CA 1.683 64.722 63.100 -0.103 0.000 0.922 218 P CB -0.074 31.591 31.700 -0.058 0.000 0.794 219 N N -2.300 116.362 118.700 -0.064 0.000 2.268 219 N HA 0.133 4.872 4.740 -0.002 0.000 0.204 219 N C 0.834 176.332 175.510 -0.020 0.000 1.124 219 N CA 0.653 53.689 53.050 -0.024 0.000 0.838 219 N CB -0.608 37.887 38.487 0.012 0.000 0.994 219 N HN 0.074 nan 8.380 nan 0.000 0.489 220 G N -0.862 107.931 108.800 -0.012 0.000 2.166 220 G HA2 -0.355 3.604 3.960 -0.002 0.000 0.260 220 G HA3 -0.355 3.604 3.960 -0.002 0.000 0.260 220 G C 1.114 176.132 174.900 0.198 0.000 0.986 220 G CA 1.172 46.307 45.100 0.059 0.000 0.683 220 G HN 0.420 nan 8.290 nan 0.000 0.527 221 T N -0.421 114.247 114.554 0.190 0.000 2.777 221 T HA 0.214 4.562 4.350 -0.002 0.000 0.266 221 T C 1.051 175.766 174.700 0.026 0.000 1.040 221 T CA 1.300 63.456 62.100 0.093 0.000 1.141 221 T CB -0.043 68.890 68.868 0.108 0.000 0.868 221 T HN 0.439 nan 8.240 nan 0.000 0.444 222 F N 0.071 120.059 119.950 0.064 0.000 2.541 222 F HA 0.694 5.220 4.527 -0.002 0.000 0.331 222 F C -0.437 175.434 175.800 0.119 0.000 1.057 222 F CA -1.674 56.404 58.000 0.130 0.000 0.975 222 F CB 1.337 40.484 39.000 0.246 0.000 1.246 222 F HN -0.153 nan 8.300 nan 0.000 0.484 223 L N 2.003 123.362 121.223 0.227 0.000 2.446 223 L HA 0.755 5.094 4.340 -0.002 0.000 0.268 223 L C -0.867 176.074 176.870 0.117 0.000 0.975 223 L CA -0.483 54.297 54.840 -0.100 0.000 0.848 223 L CB 1.015 42.698 42.059 -0.626 0.000 1.225 223 L HN 0.696 nan 8.230 nan 0.000 0.410 224 A N 4.249 127.231 122.820 0.269 0.000 2.306 224 A HA 0.875 5.194 4.320 -0.002 0.000 0.330 224 A C -1.473 176.257 177.584 0.242 0.000 1.146 224 A CA -0.242 51.908 52.037 0.188 0.000 0.827 224 A CB 0.846 19.987 19.000 0.236 0.000 1.178 224 A HN 0.936 nan 8.150 nan 0.000 0.490 225 Y N -2.106 118.009 120.300 -0.308 0.000 2.656 225 Y HA 0.763 5.312 4.550 -0.002 0.000 0.334 225 Y C -0.538 175.229 175.900 -0.221 0.000 1.179 225 Y CA -1.273 56.732 58.100 -0.159 0.000 1.050 225 Y CB 0.720 39.074 38.460 -0.177 0.000 1.308 225 Y HN 1.062 nan 8.280 nan 0.000 0.456 226 A N 1.723 124.498 122.820 -0.075 0.000 2.355 226 A HA 0.698 5.017 4.320 -0.002 0.000 0.324 226 A C -1.319 176.007 177.584 -0.429 0.000 1.117 226 A CA -0.891 50.960 52.037 -0.310 0.000 0.785 226 A CB 1.853 20.749 19.000 -0.172 0.000 1.254 226 A HN 0.807 nan 8.150 nan 0.000 0.453 227 Q N 1.200 120.701 119.800 -0.497 0.000 2.331 227 Q HA 0.601 4.940 4.340 -0.002 0.000 0.267 227 Q C -1.919 173.779 176.000 -0.504 0.000 1.006 227 Q CA -0.359 55.283 55.803 -0.269 0.000 0.818 227 Q CB 0.902 29.687 28.738 0.078 0.000 1.276 227 Q HN 0.600 nan 8.270 nan 0.000 0.450 228 F N 2.280 122.261 119.950 0.052 0.000 2.450 228 F HA 0.389 4.915 4.527 -0.002 0.000 0.332 228 F C 0.544 176.433 175.800 0.149 0.000 1.093 228 F CA -0.893 57.103 58.000 -0.006 0.000 1.003 228 F CB 1.265 40.167 39.000 -0.162 0.000 1.151 228 F HN 0.436 nan 8.300 nan 0.000 0.474 229 N N 2.024 120.880 118.700 0.259 0.000 2.626 229 N HA 0.162 4.901 4.740 -0.002 0.000 0.249 229 N C -0.722 174.917 175.510 0.214 0.000 1.021 229 N CA -0.272 52.904 53.050 0.209 0.000 0.886 229 N CB 0.589 39.147 38.487 0.118 0.000 1.149 229 N HN 0.516 nan 8.380 nan 0.000 0.517 230 D N 1.419 121.989 120.400 0.284 0.000 2.323 230 D HA 0.057 4.696 4.640 -0.002 0.000 0.239 230 D C 1.291 177.685 176.300 0.157 0.000 1.129 230 D CA 0.286 54.432 54.000 0.243 0.000 0.865 230 D CB 0.396 41.413 40.800 0.363 0.000 0.913 230 D HN 0.454 nan 8.370 nan 0.000 0.517 231 T N 0.587 115.211 114.554 0.117 0.000 2.570 231 T HA -0.204 4.145 4.350 -0.002 0.000 0.266 231 T C 1.360 176.099 174.700 0.065 0.000 1.071 231 T CA 1.234 63.379 62.100 0.075 0.000 1.172 231 T CB -0.108 68.793 68.868 0.055 0.000 0.864 231 T HN 0.317 nan 8.240 nan 0.000 0.421 232 E N 0.767 121.004 120.200 0.062 0.000 2.463 232 E HA 0.112 4.461 4.350 -0.002 0.000 0.191 232 E C -0.439 176.196 176.600 0.058 0.000 1.083 232 E CA -0.264 56.167 56.400 0.050 0.000 0.872 232 E CB 0.144 29.867 29.700 0.040 0.000 0.966 232 E HN 0.211 nan 8.360 nan 0.000 0.491 233 V N 3.370 123.331 119.914 0.078 0.000 2.427 233 V HA 0.102 4.221 4.120 -0.002 0.000 0.268 233 V C -1.986 174.151 176.094 0.072 0.000 1.046 233 V CA -1.697 60.653 62.300 0.084 0.000 0.970 233 V CB 0.477 32.368 31.823 0.112 0.000 1.001 233 V HN 0.037 nan 8.190 nan 0.000 0.476 234 P HA 0.087 nan 4.420 nan 0.000 0.267 234 P C -0.618 176.707 177.300 0.042 0.000 1.201 234 P CA 0.044 63.171 63.100 0.045 0.000 0.775 234 P CB 0.447 32.176 31.700 0.048 0.000 0.854 235 L N 2.808 124.034 121.223 0.006 0.000 2.282 235 L HA 0.417 4.756 4.340 -0.002 0.000 0.288 235 L C 0.445 177.260 176.870 -0.092 0.000 1.033 235 L CA -0.906 53.915 54.840 -0.031 0.000 0.807 235 L CB 0.919 42.952 42.059 -0.043 0.000 1.209 235 L HN 0.328 nan 8.230 nan 0.000 0.423 236 I N 3.016 123.486 120.570 -0.167 0.000 2.532 236 I HA 0.272 4.441 4.170 -0.002 0.000 0.292 236 I C -0.289 175.655 176.117 -0.289 0.000 1.014 236 I CA 0.436 61.545 61.300 -0.317 0.000 1.340 236 I CB 0.881 38.437 38.000 -0.739 0.000 1.422 236 I HN 0.594 nan 8.210 nan 0.000 0.528 237 E N 6.440 126.491 120.200 -0.248 0.000 2.314 237 E HA 0.516 4.865 4.350 -0.002 0.000 0.272 237 E C -1.885 174.631 176.600 -0.140 0.000 0.884 237 E CA -0.646 55.606 56.400 -0.246 0.000 0.753 237 E CB 2.333 31.922 29.700 -0.185 0.000 1.213 237 E HN 0.579 nan 8.360 nan 0.000 0.432 238 Y N -2.159 118.021 120.300 -0.200 0.000 2.592 238 Y HA 0.499 5.048 4.550 -0.002 0.000 0.334 238 Y C -0.932 174.868 175.900 -0.167 0.000 1.136 238 Y CA -1.219 56.770 58.100 -0.184 0.000 1.042 238 Y CB 0.811 39.157 38.460 -0.190 0.000 1.325 238 Y HN 0.231 nan 8.280 nan 0.000 0.457 239 S N 2.322 117.989 115.700 -0.054 0.000 2.548 239 S HA 0.387 4.856 4.470 -0.002 0.000 0.277 239 S C -1.264 173.167 174.600 -0.282 0.000 1.315 239 S CA -0.351 57.675 58.200 -0.291 0.000 1.050 239 S CB 0.350 63.231 63.200 -0.531 0.000 0.918 239 S HN 0.549 nan 8.310 nan 0.000 0.497 240 F N 3.127 122.821 119.950 -0.427 0.000 2.434 240 F HA 0.404 4.930 4.527 -0.002 0.000 0.355 240 F C -0.063 175.539 175.800 -0.330 0.000 1.115 240 F CA -1.022 56.836 58.000 -0.237 0.000 1.010 240 F CB 0.440 39.405 39.000 -0.059 0.000 1.234 240 F HN 0.641 nan 8.300 nan 0.000 0.439 241 Y N 2.791 122.896 120.300 -0.325 0.000 2.373 241 Y HA 0.004 4.553 4.550 -0.002 0.000 0.293 241 Y C 1.827 177.631 175.900 -0.159 0.000 1.129 241 Y CA 1.175 59.153 58.100 -0.203 0.000 1.226 241 Y CB -0.817 37.513 38.460 -0.216 0.000 1.000 241 Y HN 0.728 nan 8.280 nan 0.000 0.549 242 S N -0.346 115.196 115.700 -0.264 0.000 3.307 242 S HA -0.285 4.184 4.470 -0.002 0.000 0.634 242 S C -0.141 174.490 174.600 0.053 0.000 2.711 242 S CA 0.180 58.409 58.200 0.047 0.000 2.940 242 S CB -1.218 62.173 63.200 0.318 0.000 0.331 242 S HN 0.572 nan 8.310 nan 0.000 1.766 243 D N 1.269 121.735 120.400 0.111 0.000 2.443 243 D HA 0.068 4.707 4.640 -0.002 0.000 0.239 243 D C 1.484 177.817 176.300 0.054 0.000 1.136 243 D CA 0.772 54.817 54.000 0.076 0.000 0.879 243 D CB 0.699 41.552 40.800 0.088 0.000 1.195 243 D HN 0.606 nan 8.370 nan 0.000 0.443 244 E N 1.477 121.697 120.200 0.033 0.000 2.253 244 E HA -0.281 4.067 4.350 -0.002 0.000 0.202 244 E C 1.514 178.126 176.600 0.021 0.000 1.014 244 E CA 1.608 58.019 56.400 0.018 0.000 0.823 244 E CB 0.115 29.820 29.700 0.009 0.000 0.736 244 E HN 0.473 nan 8.360 nan 0.000 0.478 245 S N -0.177 115.543 115.700 0.033 0.000 2.522 245 S HA -0.013 4.456 4.470 -0.002 0.000 0.227 245 S C 1.065 175.689 174.600 0.041 0.000 0.986 245 S CA -0.150 58.069 58.200 0.033 0.000 0.929 245 S CB -0.104 63.119 63.200 0.038 0.000 0.769 245 S HN 0.244 nan 8.310 nan 0.000 0.529 246 L N 2.451 123.708 121.223 0.055 0.000 2.530 246 L HA 0.118 4.457 4.340 -0.002 0.000 0.273 246 L C 1.696 178.594 176.870 0.047 0.000 1.141 246 L CA -0.039 54.844 54.840 0.072 0.000 0.905 246 L CB 0.789 42.907 42.059 0.097 0.000 1.202 246 L HN 0.424 nan 8.230 nan 0.000 0.473 247 Q N 3.891 123.721 119.800 0.050 0.000 2.079 247 Q HA -0.120 4.219 4.340 -0.002 0.000 0.200 247 Q C -0.576 175.323 176.000 -0.169 0.000 0.974 247 Q CA 1.409 57.185 55.803 -0.045 0.000 0.840 247 Q CB 0.221 28.960 28.738 0.001 0.000 0.898 247 Q HN 0.570 nan 8.270 nan 0.000 0.430 248 Y N 0.195 120.505 120.300 0.016 0.000 2.364 248 Y HA 0.391 4.940 4.550 -0.002 0.000 0.340 248 Y C -2.090 173.811 175.900 0.003 0.000 0.975 248 Y CA -2.906 55.198 58.100 0.006 0.000 1.089 248 Y CB 1.461 39.917 38.460 -0.006 0.000 1.192 248 Y HN 0.100 nan 8.280 nan 0.000 0.454 249 P HA 0.119 nan 4.420 nan 0.000 0.271 249 P C -1.033 176.266 177.300 -0.002 0.000 1.218 249 P CA -0.555 62.542 63.100 -0.004 0.000 0.780 249 P CB 0.602 32.230 31.700 -0.121 0.000 0.901 250 K N 0.207 120.597 120.400 -0.016 0.000 2.106 250 K HA 0.619 4.938 4.320 -0.002 0.000 0.246 250 K C -0.706 175.839 176.600 -0.090 0.000 0.987 250 K CA -0.695 55.579 56.287 -0.023 0.000 0.904 250 K CB 0.538 33.045 32.500 0.011 0.000 1.071 250 K HN 0.178 nan 8.250 nan 0.000 0.453 251 T N 1.433 115.918 114.554 -0.116 0.000 2.772 251 T HA 0.224 4.572 4.350 -0.002 0.000 0.288 251 T C -0.250 174.308 174.700 -0.237 0.000 0.994 251 T CA -0.722 61.270 62.100 -0.179 0.000 0.951 251 T CB 1.097 69.877 68.868 -0.147 0.000 0.933 251 T HN 0.338 nan 8.240 nan 0.000 0.447 252 V N 5.000 124.674 119.914 -0.400 0.000 2.686 252 V HA 0.416 4.535 4.120 -0.002 0.000 0.295 252 V C 0.460 176.281 176.094 -0.456 0.000 1.055 252 V CA -0.301 61.707 62.300 -0.487 0.000 1.050 252 V CB 0.801 32.105 31.823 -0.865 0.000 0.984 252 V HN 0.718 nan 8.190 nan 0.000 0.482 253 R N 4.830 125.171 120.500 -0.265 0.000 2.514 253 R HA 0.703 5.042 4.340 -0.002 0.000 0.296 253 R C -1.461 174.792 176.300 -0.079 0.000 1.012 253 R CA -0.514 55.476 56.100 -0.182 0.000 0.897 253 R CB 1.961 32.191 30.300 -0.117 0.000 1.184 253 R HN 0.600 nan 8.270 nan 0.000 0.440 254 I N 3.210 123.730 120.570 -0.084 0.000 2.533 254 I HA 0.358 4.527 4.170 -0.002 0.000 0.290 254 I C -2.443 173.696 176.117 0.036 0.000 1.056 254 I CA -2.691 58.623 61.300 0.023 0.000 1.057 254 I CB 2.773 40.727 38.000 -0.076 0.000 1.240 254 I HN 0.245 nan 8.210 nan 0.000 0.423 255 P HA 0.102 nan 4.420 nan 0.000 0.275 255 P C -1.497 175.884 177.300 0.135 0.000 1.276 255 P CA 0.147 63.326 63.100 0.131 0.000 0.782 255 P CB -0.013 31.802 31.700 0.192 0.000 0.851 256 Y N 6.587 126.833 120.300 -0.090 0.000 2.331 256 Y HA 0.436 4.985 4.550 -0.002 0.000 0.326 256 Y C -2.704 173.141 175.900 -0.091 0.000 1.020 256 Y CA -2.927 55.062 58.100 -0.187 0.000 1.136 256 Y CB 1.972 40.184 38.460 -0.413 0.000 1.157 256 Y HN 0.283 nan 8.280 nan 0.000 0.444 257 P HA 0.268 nan 4.420 nan 0.000 0.291 257 P C -1.125 176.184 177.300 0.016 0.000 1.340 257 P CA -0.303 62.808 63.100 0.019 0.000 0.799 257 P CB 1.351 33.056 31.700 0.008 0.000 0.917 258 K N 2.029 122.521 120.400 0.154 0.000 2.090 258 K HA 0.526 4.845 4.320 -0.002 0.000 0.250 258 K C 0.534 177.210 176.600 0.125 0.000 1.004 258 K CA -0.756 55.638 56.287 0.178 0.000 0.919 258 K CB 0.671 33.302 32.500 0.219 0.000 1.045 258 K HN 0.449 nan 8.250 nan 0.000 0.471 259 A N 0.852 123.769 122.820 0.162 0.000 2.608 259 A HA 0.159 4.478 4.320 -0.002 0.000 0.239 259 A C 1.327 178.940 177.584 0.050 0.000 1.018 259 A CA 1.224 53.344 52.037 0.138 0.000 0.766 259 A CB -1.278 17.843 19.000 0.203 0.000 0.928 259 A HN 0.944 nan 8.150 nan 0.000 0.512 260 G N 1.202 110.025 108.800 0.038 0.000 2.302 260 G HA2 0.043 4.002 3.960 -0.002 0.000 0.263 260 G HA3 0.043 4.002 3.960 -0.002 0.000 0.263 260 G C 0.874 175.787 174.900 0.022 0.000 0.995 260 G CA 1.129 46.233 45.100 0.007 0.000 0.622 260 G HN 2.364 nan 8.290 nan 0.000 0.538 261 A N -0.072 122.773 122.820 0.042 0.000 2.387 261 A HA 0.567 4.885 4.320 -0.002 0.000 0.251 261 A C 0.546 178.157 177.584 0.045 0.000 1.113 261 A CA 0.830 52.894 52.037 0.046 0.000 0.794 261 A CB 0.174 19.213 19.000 0.065 0.000 1.069 261 A HN 0.605 nan 8.150 nan 0.000 0.506 262 E N 0.545 120.771 120.200 0.044 0.000 2.344 262 E HA 0.212 4.561 4.350 -0.002 0.000 0.270 262 E C -0.397 176.239 176.600 0.061 0.000 1.021 262 E CA 0.099 56.525 56.400 0.042 0.000 0.887 262 E CB 0.232 29.955 29.700 0.038 0.000 0.997 262 E HN 0.564 nan 8.360 nan 0.000 0.429 263 N N 3.899 122.637 118.700 0.064 0.000 2.482 263 N HA 0.421 5.160 4.740 -0.002 0.000 0.279 263 N C -2.439 173.142 175.510 0.118 0.000 1.182 263 N CA -1.586 51.526 53.050 0.104 0.000 0.969 263 N CB 0.556 39.119 38.487 0.126 0.000 1.201 263 N HN 0.362 nan 8.380 nan 0.000 0.523 264 P HA 0.115 nan 4.420 nan 0.000 0.274 264 P C -0.367 177.036 177.300 0.172 0.000 1.231 264 P CA -0.164 63.049 63.100 0.188 0.000 0.790 264 P CB 0.517 32.351 31.700 0.223 0.000 0.951 265 T N -1.079 113.545 114.554 0.117 0.000 2.923 265 T HA 0.604 4.953 4.350 -0.002 0.000 0.281 265 T C -0.128 174.596 174.700 0.040 0.000 0.995 265 T CA -0.778 61.349 62.100 0.044 0.000 0.985 265 T CB 1.381 70.258 68.868 0.015 0.000 1.114 265 T HN 0.361 nan 8.240 nan 0.000 0.548 266 V N -0.278 119.623 119.914 -0.022 0.000 3.114 266 V HA 0.780 4.899 4.120 -0.002 0.000 0.308 266 V C -1.777 174.270 176.094 -0.078 0.000 1.168 266 V CA -0.944 61.279 62.300 -0.128 0.000 1.015 266 V CB 2.223 33.995 31.823 -0.084 0.000 1.050 266 V HN 1.067 nan 8.190 nan 0.000 0.433 267 K N 3.902 124.171 120.400 -0.218 0.000 2.501 267 K HA 0.506 4.825 4.320 -0.002 0.000 0.252 267 K C -2.021 174.287 176.600 -0.487 0.000 0.934 267 K CA -0.375 55.723 56.287 -0.314 0.000 0.797 267 K CB 2.668 34.951 32.500 -0.361 0.000 1.270 267 K HN 0.555 nan 8.250 nan 0.000 0.431 268 F N 3.106 122.655 119.950 -0.669 0.000 2.482 268 F HA 0.576 5.102 4.527 -0.002 0.000 0.331 268 F C -1.370 173.902 175.800 -0.879 0.000 1.115 268 F CA -0.623 57.022 58.000 -0.592 0.000 0.955 268 F CB 0.768 39.639 39.000 -0.214 0.000 1.136 268 F HN 0.377 nan 8.300 nan 0.000 0.452 269 F N 4.350 123.668 119.950 -1.053 0.000 2.576 269 F HA 0.669 5.195 4.527 -0.002 0.000 0.313 269 F C -0.924 174.560 175.800 -0.526 0.000 1.078 269 F CA -1.269 56.347 58.000 -0.640 0.000 0.921 269 F CB 1.967 40.615 39.000 -0.587 0.000 1.232 269 F HN 0.047 nan 8.300 nan 0.000 0.459 270 V N 3.288 123.239 119.914 0.063 0.000 2.409 270 V HA 0.513 4.632 4.120 -0.002 0.000 0.291 270 V C -0.662 175.637 176.094 0.340 0.000 1.020 270 V CA -0.803 61.570 62.300 0.122 0.000 0.848 270 V CB 1.664 33.422 31.823 -0.108 0.000 0.990 270 V HN 0.531 nan 8.190 nan 0.000 0.430 271 V N 3.427 123.527 119.914 0.310 0.000 2.398 271 V HA 0.346 4.465 4.120 -0.002 0.000 0.286 271 V C -0.051 176.145 176.094 0.171 0.000 1.026 271 V CA -0.567 61.867 62.300 0.223 0.000 0.868 271 V CB 1.834 33.705 31.823 0.080 0.000 0.982 271 V HN 0.879 nan 8.190 nan 0.000 0.443 272 D N 3.793 124.246 120.400 0.088 0.000 2.402 272 D HA 0.034 4.673 4.640 -0.002 0.000 0.235 272 D C 1.495 177.731 176.300 -0.106 0.000 1.226 272 D CA 0.099 53.993 54.000 -0.177 0.000 0.918 272 D CB 1.374 42.083 40.800 -0.151 0.000 1.043 272 D HN 0.757 nan 8.370 nan 0.000 0.506 273 T N 1.268 115.773 114.554 -0.081 0.000 3.155 273 T HA -0.053 4.296 4.350 -0.002 0.000 0.264 273 T C 1.600 176.289 174.700 -0.019 0.000 1.160 273 T CA 0.504 62.602 62.100 -0.003 0.000 1.075 273 T CB -0.018 68.928 68.868 0.130 0.000 0.921 273 T HN 0.292 nan 8.240 nan 0.000 0.533 274 R N 1.100 121.551 120.500 -0.082 0.000 2.062 274 R HA -0.025 4.314 4.340 -0.002 0.000 0.229 274 R C 2.834 179.118 176.300 -0.027 0.000 1.128 274 R CA 1.835 57.898 56.100 -0.062 0.000 0.960 274 R CB -0.660 29.578 30.300 -0.104 0.000 0.855 274 R HN 0.670 nan 8.270 nan 0.000 0.432 275 T N -0.842 113.699 114.554 -0.023 0.000 3.160 275 T HA 0.133 4.482 4.350 -0.002 0.000 0.257 275 T C 0.921 175.623 174.700 0.005 0.000 1.147 275 T CA -0.013 62.087 62.100 -0.001 0.000 1.064 275 T CB -0.170 68.704 68.868 0.011 0.000 0.949 275 T HN -0.021 nan 8.240 nan 0.000 0.526 276 L N 2.566 123.790 121.223 0.001 0.000 2.540 276 L HA 0.283 4.622 4.340 -0.002 0.000 0.276 276 L C -0.145 176.731 176.870 0.011 0.000 1.212 276 L CA 0.242 55.085 54.840 0.004 0.000 0.893 276 L CB 0.069 42.128 42.059 0.000 0.000 1.138 276 L HN 0.334 nan 8.230 nan 0.000 0.491 277 S N 2.492 118.201 115.700 0.015 0.000 2.578 277 S HA 0.215 4.684 4.470 -0.002 0.000 0.285 277 S C -1.979 172.636 174.600 0.025 0.000 1.126 277 S CA -0.676 57.535 58.200 0.019 0.000 0.878 277 S CB 2.065 65.275 63.200 0.016 0.000 1.091 277 S HN 0.444 nan 8.310 nan 0.000 0.450 278 P HA -0.088 nan 4.420 nan 0.000 0.221 278 P C 0.141 177.461 177.300 0.033 0.000 1.145 278 P CA 1.201 64.324 63.100 0.038 0.000 0.795 278 P CB -0.002 31.719 31.700 0.035 0.000 0.775 279 N N -0.746 117.967 118.700 0.022 0.000 2.282 279 N HA 0.295 5.034 4.740 -0.002 0.000 0.240 279 N C 0.044 175.559 175.510 0.009 0.000 1.182 279 N CA -0.045 53.012 53.050 0.013 0.000 0.874 279 N CB 1.083 39.576 38.487 0.009 0.000 1.126 279 N HN 0.103 nan 8.380 nan 0.000 0.516 280 A N 0.258 123.086 122.820 0.014 0.000 2.384 280 A HA 0.692 5.011 4.320 -0.002 0.000 0.312 280 A C 0.247 177.838 177.584 0.012 0.000 1.113 280 A CA -0.530 51.514 52.037 0.011 0.000 0.779 280 A CB 1.084 20.092 19.000 0.014 0.000 1.307 280 A HN 0.124 nan 8.150 nan 0.000 0.436 281 S N 0.229 115.934 115.700 0.008 0.000 2.632 281 S HA 0.544 5.013 4.470 -0.002 0.000 0.271 281 S C -0.010 174.602 174.600 0.020 0.000 1.260 281 S CA -0.586 57.618 58.200 0.007 0.000 1.010 281 S CB 0.974 64.171 63.200 -0.005 0.000 0.965 281 S HN 0.915 nan 8.310 nan 0.000 0.534 282 V N 2.579 122.508 119.914 0.024 0.000 2.529 282 V HA 0.162 4.281 4.120 -0.002 0.000 0.292 282 V C 0.616 176.734 176.094 0.040 0.000 1.028 282 V CA -0.147 62.165 62.300 0.020 0.000 1.074 282 V CB 0.410 32.236 31.823 0.005 0.000 0.958 282 V HN 1.005 nan 8.190 nan 0.000 0.481 283 T N 4.648 119.236 114.554 0.057 0.000 2.723 283 T HA 0.351 4.700 4.350 -0.002 0.000 0.297 283 T C 0.113 174.908 174.700 0.158 0.000 0.925 283 T CA -0.015 62.149 62.100 0.106 0.000 1.030 283 T CB 0.559 69.488 68.868 0.102 0.000 0.905 283 T HN 0.658 nan 8.240 nan 0.000 0.502 284 S N 2.331 118.148 115.700 0.195 0.000 2.547 284 S HA 0.556 5.025 4.470 -0.002 0.000 0.281 284 S C -1.661 173.157 174.600 0.364 0.000 1.118 284 S CA -0.695 57.659 58.200 0.257 0.000 0.947 284 S CB 1.156 64.433 63.200 0.127 0.000 1.053 284 S HN 0.647 nan 8.310 nan 0.000 0.482 285 Y N 2.616 123.135 120.300 0.366 0.000 2.429 285 Y HA 0.503 5.052 4.550 -0.002 0.000 0.342 285 Y C -0.241 175.869 175.900 0.350 0.000 1.004 285 Y CA -0.547 57.786 58.100 0.388 0.000 1.075 285 Y CB 1.324 40.132 38.460 0.579 0.000 1.214 285 Y HN 0.569 nan 8.280 nan 0.000 0.455 286 Q N 6.183 125.745 119.800 -0.397 0.000 2.314 286 Q HA 0.496 4.835 4.340 -0.002 0.000 0.259 286 Q C -1.399 174.411 176.000 -0.315 0.000 0.951 286 Q CA -0.585 55.045 55.803 -0.288 0.000 0.909 286 Q CB 0.860 29.458 28.738 -0.233 0.000 1.236 286 Q HN 0.754 nan 8.270 nan 0.000 0.444 287 I N 4.375 124.900 120.570 -0.075 0.000 2.312 287 I HA 0.259 4.427 4.170 -0.002 0.000 0.290 287 I C -0.268 175.834 176.117 -0.024 0.000 1.008 287 I CA -0.762 60.586 61.300 0.079 0.000 1.226 287 I CB 1.385 39.514 38.000 0.215 0.000 1.371 287 I HN 0.312 nan 8.210 nan 0.000 0.468 288 V N 8.153 127.995 119.914 -0.120 0.000 2.743 288 V HA 0.370 4.489 4.120 -0.002 0.000 0.301 288 V C -1.788 173.993 176.094 -0.520 0.000 1.057 288 V CA -1.448 60.680 62.300 -0.285 0.000 1.006 288 V CB 1.214 32.901 31.823 -0.228 0.000 1.024 288 V HN 0.624 nan 8.190 nan 0.000 0.473 289 P HA 0.319 nan 4.420 nan 0.000 0.274 289 P C -2.857 174.002 177.300 -0.734 0.000 1.256 289 P CA -1.905 60.322 63.100 -1.454 0.000 0.795 289 P CB -0.063 30.258 31.700 -2.298 0.000 1.038 290 P HA 0.022 nan 4.420 nan 0.000 0.268 290 P C 0.809 177.939 177.300 -0.283 0.000 1.205 290 P CA 0.294 63.221 63.100 -0.288 0.000 0.771 290 P CB 0.102 31.707 31.700 -0.159 0.000 0.858 291 A N 3.055 125.756 122.820 -0.200 0.000 1.997 291 A HA -0.223 4.096 4.320 -0.002 0.000 0.221 291 A C 1.989 179.463 177.584 -0.185 0.000 1.172 291 A CA 2.335 54.263 52.037 -0.183 0.000 0.645 291 A CB -1.650 17.277 19.000 -0.121 0.000 0.813 291 A HN 0.615 nan 8.150 nan 0.000 0.454 292 S N -1.212 114.398 115.700 -0.150 0.000 2.537 292 S HA 0.013 4.481 4.470 -0.002 0.000 0.240 292 S C 1.353 175.771 174.600 -0.303 0.000 0.981 292 S CA 1.208 59.303 58.200 -0.175 0.000 0.948 292 S CB -0.167 63.014 63.200 -0.032 0.000 0.759 292 S HN 0.282 nan 8.310 nan 0.000 0.531 293 V N 0.742 120.479 119.914 -0.295 0.000 2.911 293 V HA 0.227 4.345 4.120 -0.002 0.000 0.237 293 V C 2.085 177.923 176.094 -0.427 0.000 1.156 293 V CA 0.359 62.447 62.300 -0.353 0.000 1.180 293 V CB -0.488 31.116 31.823 -0.365 0.000 0.932 293 V HN 0.381 nan 8.190 nan 0.000 0.483 294 L N 0.362 121.304 121.223 -0.469 0.000 2.351 294 L HA -0.212 4.127 4.340 -0.002 0.000 0.220 294 L C 2.232 178.980 176.870 -0.204 0.000 1.127 294 L CA 1.447 56.059 54.840 -0.380 0.000 0.786 294 L CB -0.741 41.134 42.059 -0.308 0.000 0.914 294 L HN 0.353 nan 8.230 nan 0.000 0.443 295 I N -0.619 119.838 120.570 -0.189 0.000 2.315 295 I HA -0.160 4.009 4.170 -0.002 0.000 0.251 295 I C 1.366 177.431 176.117 -0.087 0.000 1.125 295 I CA 1.247 62.470 61.300 -0.127 0.000 1.392 295 I CB -0.552 37.365 38.000 -0.138 0.000 1.065 295 I HN 0.305 nan 8.210 nan 0.000 0.424 296 G N -1.185 107.569 108.800 -0.077 0.000 2.782 296 G HA2 0.317 4.276 3.960 -0.002 0.000 0.304 296 G HA3 0.317 4.276 3.960 -0.002 0.000 0.304 296 G C -1.613 173.325 174.900 0.063 0.000 1.315 296 G CA -0.593 44.492 45.100 -0.024 0.000 0.791 296 G HN -0.130 nan 8.290 nan 0.000 0.519 297 D N 0.913 121.323 120.400 0.017 0.000 2.419 297 D HA 0.405 5.044 4.640 -0.002 0.000 0.236 297 D C 0.592 176.878 176.300 -0.022 0.000 1.165 297 D CA 0.868 54.843 54.000 -0.042 0.000 0.882 297 D CB 0.409 41.122 40.800 -0.145 0.000 1.201 297 D HN 0.575 nan 8.370 nan 0.000 0.443 298 H N -1.542 117.340 119.070 -0.314 0.000 3.001 298 H HA 0.454 5.009 4.556 -0.002 0.000 0.266 298 H C -1.319 173.754 175.328 -0.425 0.000 1.532 298 H CA -0.744 55.128 56.048 -0.294 0.000 1.187 298 H CB 0.357 30.119 29.762 0.001 0.000 1.881 298 H HN 0.403 nan 8.280 nan 0.000 0.643 299 Y N -0.555 119.939 120.300 0.323 0.000 2.625 299 Y HA 0.454 5.003 4.550 -0.002 0.000 0.338 299 Y C -0.914 175.196 175.900 0.350 0.000 1.123 299 Y CA -1.072 57.182 58.100 0.258 0.000 1.046 299 Y CB 1.913 40.376 38.460 0.006 0.000 1.299 299 Y HN 0.508 nan 8.280 nan 0.000 0.464 300 L N 2.291 123.816 121.223 0.503 0.000 2.276 300 L HA 0.490 4.829 4.340 -0.002 0.000 0.286 300 L C 0.173 177.217 176.870 0.290 0.000 1.024 300 L CA -0.446 54.420 54.840 0.044 0.000 0.826 300 L CB 0.582 42.599 42.059 -0.070 0.000 1.211 300 L HN 0.949 nan 8.230 nan 0.000 0.422 301 C N 1.627 120.986 119.300 0.097 0.000 3.038 301 C HA 0.862 5.321 4.460 -0.002 0.000 0.279 301 C C 0.796 175.833 174.990 0.079 0.000 1.276 301 C CA -0.046 59.093 59.018 0.202 0.000 1.697 301 C CB -1.051 26.742 27.740 0.089 0.000 2.032 301 C HN 0.926 nan 8.230 nan 0.000 0.636 302 G N -0.112 108.569 108.800 -0.198 0.000 2.655 302 G HA2 0.547 4.506 3.960 -0.002 0.000 0.296 302 G HA3 0.547 4.506 3.960 -0.002 0.000 0.296 302 G C -1.839 172.659 174.900 -0.670 0.000 1.485 302 G CA -0.169 44.694 45.100 -0.395 0.000 0.869 302 G HN 0.243 nan 8.290 nan 0.000 0.540 303 V N 0.467 119.883 119.914 -0.830 0.000 2.760 303 V HA 0.876 4.995 4.120 -0.002 0.000 0.309 303 V C -0.351 175.264 176.094 -0.798 0.000 1.077 303 V CA -0.659 61.001 62.300 -1.068 0.000 0.910 303 V CB 2.343 33.076 31.823 -1.816 0.000 1.008 303 V HN 0.957 nan 8.190 nan 0.000 0.424 304 T N 2.533 116.667 114.554 -0.700 0.000 3.071 304 T HA 0.339 4.688 4.350 -0.002 0.000 0.311 304 T C -1.206 173.184 174.700 -0.515 0.000 1.042 304 T CA -0.423 61.395 62.100 -0.470 0.000 1.028 304 T CB 1.009 69.684 68.868 -0.321 0.000 1.068 304 T HN 0.555 nan 8.240 nan 0.000 0.451 305 W N 3.218 124.350 121.300 -0.281 0.000 2.345 305 W HA 0.381 5.040 4.660 -0.002 0.000 0.308 305 W C 1.102 177.443 176.519 -0.297 0.000 1.273 305 W CA -0.364 56.836 57.345 -0.241 0.000 1.243 305 W CB 0.714 30.120 29.460 -0.090 0.000 1.260 305 W HN 0.503 nan 8.180 nan 0.000 0.509 306 V N 1.833 121.657 119.914 -0.151 0.000 2.398 306 V HA 0.085 4.204 4.120 -0.002 0.000 0.236 306 V C 0.930 177.025 176.094 0.002 0.000 1.054 306 V CA 1.256 63.381 62.300 -0.292 0.000 1.060 306 V CB -0.663 30.808 31.823 -0.587 0.000 0.707 306 V HN 0.560 nan 8.190 nan 0.000 0.480 307 T N -2.921 111.687 114.554 0.090 0.000 2.906 307 T HA 0.371 4.719 4.350 -0.002 0.000 0.295 307 T C 0.242 175.068 174.700 0.210 0.000 1.061 307 T CA -0.589 61.587 62.100 0.126 0.000 1.000 307 T CB 2.154 71.080 68.868 0.097 0.000 1.103 307 T HN 0.177 nan 8.240 nan 0.000 0.486 308 E N 0.572 120.829 120.200 0.094 0.000 2.516 308 E HA -0.118 4.231 4.350 -0.002 0.000 0.206 308 E C 0.391 176.997 176.600 0.010 0.000 1.107 308 E CA 0.956 57.341 56.400 -0.025 0.000 0.903 308 E CB 0.037 29.747 29.700 0.017 0.000 0.838 308 E HN 0.786 nan 8.360 nan 0.000 0.574 309 E N -0.150 120.159 120.200 0.182 0.000 2.862 309 E HA 0.142 4.491 4.350 -0.002 0.000 0.204 309 E C -0.019 176.735 176.600 0.257 0.000 0.966 309 E CA -0.135 56.354 56.400 0.148 0.000 1.257 309 E CB 0.912 30.680 29.700 0.113 0.000 1.053 309 E HN -0.105 nan 8.360 nan 0.000 0.487 310 R N 1.676 122.385 120.500 0.349 0.000 2.531 310 R HA 0.436 4.775 4.340 -0.002 0.000 0.293 310 R C -1.921 174.366 176.300 -0.021 0.000 1.124 310 R CA -0.356 55.857 56.100 0.189 0.000 0.945 310 R CB 0.989 31.319 30.300 0.050 0.000 1.195 310 R HN 0.077 nan 8.270 nan 0.000 0.433 311 I N 2.389 122.827 120.570 -0.219 0.000 2.530 311 I HA 0.421 4.589 4.170 -0.002 0.000 0.297 311 I C -0.941 174.830 176.117 -0.576 0.000 1.011 311 I CA -0.476 60.398 61.300 -0.710 0.000 1.107 311 I CB 2.229 39.434 38.000 -1.326 0.000 1.285 311 I HN 0.621 nan 8.210 nan 0.000 0.436 312 S N 6.903 122.202 115.700 -0.669 0.000 2.437 312 S HA 0.669 5.138 4.470 -0.002 0.000 0.305 312 S C -0.923 173.315 174.600 -0.602 0.000 1.109 312 S CA -0.567 57.307 58.200 -0.543 0.000 1.099 312 S CB 0.754 63.642 63.200 -0.521 0.000 1.004 312 S HN 0.419 nan 8.310 nan 0.000 0.475 313 L N 3.825 124.747 121.223 -0.501 0.000 2.342 313 L HA 0.613 4.952 4.340 -0.002 0.000 0.271 313 L C -0.137 176.469 176.870 -0.440 0.000 1.008 313 L CA -0.140 54.330 54.840 -0.616 0.000 0.818 313 L CB 1.753 43.502 42.059 -0.516 0.000 1.296 313 L HN 0.768 nan 8.230 nan 0.000 0.427 314 Q N 1.545 120.994 119.800 -0.586 0.000 2.337 314 Q HA 0.407 4.746 4.340 -0.002 0.000 0.264 314 Q C -1.964 173.815 176.000 -0.368 0.000 1.007 314 Q CA -0.453 55.147 55.803 -0.338 0.000 0.727 314 Q CB 0.867 29.447 28.738 -0.263 0.000 1.256 314 Q HN 0.512 nan 8.270 nan 0.000 0.467 315 W N 4.990 126.276 121.300 -0.024 0.000 2.512 315 W HA 0.647 5.305 4.660 -0.002 0.000 0.335 315 W C -0.196 176.401 176.519 0.130 0.000 1.088 315 W CA -0.702 56.687 57.345 0.074 0.000 1.236 315 W CB 0.922 30.404 29.460 0.037 0.000 1.307 315 W HN 0.460 nan 8.180 nan 0.000 0.567 316 I N -0.084 120.735 120.570 0.414 0.000 2.582 316 I HA 0.591 4.760 4.170 -0.002 0.000 0.292 316 I C 0.006 176.339 176.117 0.360 0.000 1.066 316 I CA -1.626 59.888 61.300 0.356 0.000 1.053 316 I CB 1.782 39.958 38.000 0.293 0.000 1.241 316 I HN 0.337 nan 8.210 nan 0.000 0.421 317 R N 2.433 123.098 120.500 0.275 0.000 2.801 317 R HA 0.207 4.545 4.340 -0.002 0.000 0.273 317 R C 1.228 177.620 176.300 0.153 0.000 1.080 317 R CA -0.262 55.926 56.100 0.146 0.000 1.197 317 R CB 0.594 30.916 30.300 0.036 0.000 1.109 317 R HN 0.654 nan 8.270 nan 0.000 0.535 318 R N 0.995 121.503 120.500 0.015 0.000 2.148 318 R HA -0.115 4.224 4.340 -0.002 0.000 0.227 318 R C 1.774 178.157 176.300 0.139 0.000 1.103 318 R CA 1.502 57.616 56.100 0.024 0.000 0.983 318 R CB -0.178 30.051 30.300 -0.118 0.000 0.874 318 R HN 0.739 nan 8.270 nan 0.000 0.451 319 A N 0.587 123.461 122.820 0.090 0.000 1.978 319 A HA -0.184 4.135 4.320 -0.002 0.000 0.220 319 A C 0.826 178.471 177.584 0.101 0.000 1.170 319 A CA 1.517 53.604 52.037 0.083 0.000 0.636 319 A CB -0.163 18.880 19.000 0.072 0.000 0.810 319 A HN 0.608 nan 8.150 nan 0.000 0.448 320 Q N -1.645 118.245 119.800 0.149 0.000 2.487 320 Q HA -0.192 4.146 4.340 -0.002 0.000 0.279 320 Q C -0.401 175.693 176.000 0.156 0.000 1.228 320 Q CA 0.664 56.556 55.803 0.148 0.000 0.873 320 Q CB -1.902 26.869 28.738 0.054 0.000 1.260 320 Q HN 1.001 nan 8.270 nan 0.000 0.471 321 N N -0.479 118.324 118.700 0.173 0.000 2.466 321 N HA 0.204 4.943 4.740 -0.002 0.000 0.272 321 N C -1.269 174.371 175.510 0.217 0.000 1.455 321 N CA -0.199 52.944 53.050 0.155 0.000 0.875 321 N CB 0.504 39.063 38.487 0.119 0.000 1.372 321 N HN 0.295 nan 8.380 nan 0.000 0.492 322 Y N 0.286 120.630 120.300 0.074 0.000 2.294 322 Y HA 0.468 5.017 4.550 -0.002 0.000 0.316 322 Y C -1.880 174.072 175.900 0.087 0.000 1.265 322 Y CA -1.010 57.131 58.100 0.069 0.000 1.149 322 Y CB 0.791 39.284 38.460 0.055 0.000 1.293 322 Y HN 0.141 nan 8.280 nan 0.000 0.416 323 S N 7.143 122.884 115.700 0.067 0.000 2.570 323 S HA 0.892 5.361 4.470 -0.002 0.000 0.286 323 S C -1.878 172.735 174.600 0.022 0.000 1.099 323 S CA -0.562 57.729 58.200 0.152 0.000 0.913 323 S CB 1.531 64.782 63.200 0.085 0.000 1.085 323 S HN 0.928 nan 8.310 nan 0.000 0.480 324 I N 2.920 123.582 120.570 0.155 0.000 2.827 324 I HA 0.567 4.736 4.170 -0.002 0.000 0.298 324 I C -1.941 174.240 176.117 0.108 0.000 1.235 324 I CA -1.244 60.125 61.300 0.114 0.000 1.021 324 I CB 1.746 39.876 38.000 0.217 0.000 1.259 324 I HN 0.763 nan 8.210 nan 0.000 0.427 325 I N 5.574 126.159 120.570 0.025 0.000 2.355 325 I HA 0.312 4.481 4.170 -0.002 0.000 0.288 325 I C -1.060 175.032 176.117 -0.042 0.000 0.999 325 I CA -0.412 60.845 61.300 -0.071 0.000 1.163 325 I CB 1.520 39.353 38.000 -0.278 0.000 1.316 325 I HN 0.497 nan 8.210 nan 0.000 0.454 326 D N 7.294 127.699 120.400 0.009 0.000 2.177 326 D HA 0.492 5.131 4.640 -0.002 0.000 0.247 326 D C -0.666 175.589 176.300 -0.074 0.000 1.063 326 D CA -0.175 53.830 54.000 0.008 0.000 0.867 326 D CB 1.294 42.125 40.800 0.052 0.000 1.168 326 D HN 0.299 nan 8.370 nan 0.000 0.445 327 I N 4.171 124.710 120.570 -0.052 0.000 2.390 327 I HA 0.254 4.423 4.170 -0.002 0.000 0.283 327 I C -0.564 175.549 176.117 -0.006 0.000 1.016 327 I CA -0.824 60.428 61.300 -0.080 0.000 1.151 327 I CB 1.063 39.036 38.000 -0.045 0.000 1.293 327 I HN 0.286 nan 8.210 nan 0.000 0.458 328 C N 4.238 123.538 119.300 -0.000 0.000 2.330 328 C HA 0.455 4.913 4.460 -0.002 0.000 0.344 328 C C 0.140 175.291 174.990 0.268 0.000 1.273 328 C CA -0.699 58.404 59.018 0.141 0.000 1.879 328 C CB 0.607 28.469 27.740 0.204 0.000 2.376 328 C HN 0.586 nan 8.230 nan 0.000 0.534 329 D N 0.371 120.890 120.400 0.199 0.000 2.198 329 D HA 0.222 4.861 4.640 -0.002 0.000 0.247 329 D C -0.756 175.458 176.300 -0.142 0.000 1.010 329 D CA -0.218 53.843 54.000 0.101 0.000 0.880 329 D CB 1.407 42.221 40.800 0.023 0.000 1.209 329 D HN 0.609 nan 8.370 nan 0.000 0.451 330 Y N 1.501 121.410 120.300 -0.652 0.000 2.393 330 Y HA 0.115 4.664 4.550 -0.002 0.000 0.338 330 Y C 0.041 175.633 175.900 -0.514 0.000 1.029 330 Y CA -0.466 56.977 58.100 -1.095 0.000 1.239 330 Y CB 0.642 38.352 38.460 -1.250 0.000 1.170 330 Y HN 0.120 nan 8.280 nan 0.000 0.515 331 D N 5.742 125.562 120.400 -0.967 0.000 2.494 331 D HA 0.071 4.710 4.640 -0.002 0.000 0.217 331 D C 0.781 176.520 176.300 -0.935 0.000 1.153 331 D CA 0.150 53.733 54.000 -0.694 0.000 0.954 331 D CB 0.258 40.776 40.800 -0.470 0.000 1.034 331 D HN 0.833 nan 8.370 nan 0.000 0.518 332 E N 0.930 120.673 120.200 -0.763 0.000 2.233 332 E HA -0.300 4.049 4.350 -0.002 0.000 0.210 332 E C 1.526 177.942 176.600 -0.307 0.000 1.046 332 E CA 1.831 57.942 56.400 -0.481 0.000 0.844 332 E CB 0.056 29.689 29.700 -0.110 0.000 0.741 332 E HN 0.553 nan 8.360 nan 0.000 0.465 333 S N -0.815 114.731 115.700 -0.257 0.000 2.562 333 S HA -0.027 4.442 4.470 -0.002 0.000 0.221 333 S C 1.689 176.201 174.600 -0.146 0.000 0.975 333 S CA 1.058 59.168 58.200 -0.150 0.000 0.918 333 S CB 0.229 63.363 63.200 -0.110 0.000 0.772 333 S HN 0.324 nan 8.310 nan 0.000 0.531 334 T N -4.538 109.875 114.554 -0.236 0.000 3.016 334 T HA 0.534 4.883 4.350 -0.002 0.000 0.271 334 T C 1.523 176.132 174.700 -0.152 0.000 0.968 334 T CA 0.540 62.542 62.100 -0.163 0.000 0.891 334 T CB 0.044 68.814 68.868 -0.164 0.000 1.149 334 T HN 1.057 nan 8.240 nan 0.000 0.524 335 G N 2.264 110.896 108.800 -0.279 0.000 2.189 335 G HA2 -0.299 3.660 3.960 -0.002 0.000 0.267 335 G HA3 -0.299 3.660 3.960 -0.002 0.000 0.267 335 G C 0.231 175.087 174.900 -0.074 0.000 0.975 335 G CA 0.224 45.345 45.100 0.035 0.000 0.644 335 G HN 0.704 nan 8.290 nan 0.000 0.537 336 R N -1.245 118.969 120.500 -0.476 0.000 2.582 336 R HA 0.424 4.763 4.340 -0.002 0.000 0.271 336 R C -0.630 175.183 176.300 -0.811 0.000 1.078 336 R CA -0.235 55.351 56.100 -0.855 0.000 1.127 336 R CB 0.506 30.401 30.300 -0.675 0.000 1.038 336 R HN 0.229 nan 8.270 nan 0.000 0.500 337 W N 2.902 123.784 121.300 -0.697 0.000 2.296 337 W HA 0.399 5.058 4.660 -0.002 0.000 0.316 337 W C -0.311 176.171 176.519 -0.062 0.000 1.022 337 W CA -0.316 56.963 57.345 -0.111 0.000 1.324 337 W CB 0.649 30.212 29.460 0.173 0.000 1.227 337 W HN 0.283 nan 8.180 nan 0.000 0.409 338 I N 2.699 123.301 120.570 0.053 0.000 2.499 338 I HA 0.322 4.490 4.170 -0.002 0.000 0.296 338 I C 0.606 176.779 176.117 0.094 0.000 0.992 338 I CA -0.549 60.783 61.300 0.052 0.000 1.297 338 I CB 1.578 39.559 38.000 -0.031 0.000 1.410 338 I HN 0.181 nan 8.210 nan 0.000 0.507 339 S N 3.613 119.359 115.700 0.077 0.000 2.472 339 S HA 0.492 4.961 4.470 -0.002 0.000 0.303 339 S C -0.702 173.923 174.600 0.042 0.000 1.099 339 S CA -0.417 57.819 58.200 0.061 0.000 1.077 339 S CB 1.468 64.696 63.200 0.047 0.000 1.031 339 S HN 0.599 nan 8.310 nan 0.000 0.487 340 S N 3.402 119.131 115.700 0.047 0.000 2.519 340 S HA 0.384 4.853 4.470 -0.002 0.000 0.309 340 S C 0.902 175.534 174.600 0.053 0.000 1.100 340 S CA -0.807 57.420 58.200 0.046 0.000 1.059 340 S CB 1.091 64.323 63.200 0.053 0.000 1.008 340 S HN 0.638 nan 8.310 nan 0.000 0.478 341 V N 4.643 124.581 119.914 0.039 0.000 2.828 341 V HA -0.141 3.978 4.120 -0.002 0.000 0.260 341 V C 2.281 178.406 176.094 0.051 0.000 1.101 341 V CA 2.182 64.506 62.300 0.039 0.000 1.123 341 V CB -1.181 30.656 31.823 0.023 0.000 0.704 341 V HN 0.884 nan 8.190 nan 0.000 0.493 342 A N -0.623 122.230 122.820 0.056 0.000 2.195 342 A HA 0.103 4.422 4.320 -0.002 0.000 0.210 342 A C 2.043 179.698 177.584 0.119 0.000 1.165 342 A CA 0.184 52.256 52.037 0.058 0.000 0.806 342 A CB -0.080 18.947 19.000 0.045 0.000 0.847 342 A HN 0.442 nan 8.150 nan 0.000 0.482 343 R N 0.275 120.866 120.500 0.152 0.000 2.466 343 R HA 0.152 4.491 4.340 -0.002 0.000 0.279 343 R C -0.663 175.806 176.300 0.282 0.000 0.976 343 R CA 0.086 56.330 56.100 0.240 0.000 1.081 343 R CB 0.280 30.670 30.300 0.150 0.000 1.215 343 R HN 0.612 nan 8.270 nan 0.000 0.546 344 Q N 0.490 120.468 119.800 0.296 0.000 2.333 344 Q HA 0.301 4.640 4.340 -0.002 0.000 0.267 344 Q C -1.109 175.172 176.000 0.468 0.000 1.012 344 Q CA -0.724 55.256 55.803 0.295 0.000 0.824 344 Q CB 1.943 30.762 28.738 0.136 0.000 1.290 344 Q HN 0.108 nan 8.270 nan 0.000 0.449 345 H N 1.919 120.998 119.070 0.016 0.000 2.685 345 H HA 0.396 4.951 4.556 -0.002 0.000 0.307 345 H C -0.395 174.904 175.328 -0.048 0.000 1.017 345 H CA -0.664 55.385 56.048 0.002 0.000 1.237 345 H CB 0.404 30.153 29.762 -0.023 0.000 1.409 345 H HN 0.494 nan 8.280 nan 0.000 0.488 346 I N 2.074 122.665 120.570 0.035 0.000 2.529 346 I HA 0.133 4.302 4.170 -0.002 0.000 0.284 346 I C 0.561 176.597 176.117 -0.134 0.000 1.082 346 I CA 0.102 61.324 61.300 -0.130 0.000 1.406 346 I CB 0.794 38.676 38.000 -0.195 0.000 1.405 346 I HN 0.583 nan 8.210 nan 0.000 0.548 347 E N 8.091 128.158 120.200 -0.222 0.000 2.409 347 E HA 0.414 4.763 4.350 -0.002 0.000 0.259 347 E C -1.133 175.361 176.600 -0.177 0.000 0.932 347 E CA -0.514 55.814 56.400 -0.120 0.000 0.809 347 E CB 1.173 30.850 29.700 -0.039 0.000 1.341 347 E HN 0.652 nan 8.360 nan 0.000 0.405 348 I N 0.031 120.508 120.570 -0.156 0.000 3.474 348 I HA 0.752 4.921 4.170 -0.002 0.000 0.294 348 I C -0.417 175.690 176.117 -0.017 0.000 1.185 348 I CA -0.970 60.272 61.300 -0.097 0.000 1.003 348 I CB 2.135 40.085 38.000 -0.083 0.000 1.327 348 I HN 0.308 nan 8.210 nan 0.000 0.541 349 S N -0.103 115.608 115.700 0.018 0.000 2.689 349 S HA 0.312 4.781 4.470 -0.002 0.000 0.274 349 S C 0.207 174.826 174.600 0.032 0.000 1.176 349 S CA -0.095 58.117 58.200 0.019 0.000 1.014 349 S CB 1.019 64.231 63.200 0.019 0.000 1.071 349 S HN 0.894 nan 8.310 nan 0.000 0.478 350 T N 0.148 114.715 114.554 0.023 0.000 3.100 350 T HA 0.053 4.402 4.350 -0.002 0.000 0.253 350 T C 1.268 175.984 174.700 0.027 0.000 1.118 350 T CA 0.974 63.090 62.100 0.026 0.000 1.058 350 T CB -0.363 68.515 68.868 0.018 0.000 0.953 350 T HN 0.689 nan 8.240 nan 0.000 0.515 351 T N -2.417 112.161 114.554 0.039 0.000 3.132 351 T HA 0.660 5.009 4.350 -0.002 0.000 0.274 351 T C 0.888 175.648 174.700 0.099 0.000 1.011 351 T CA 0.088 62.235 62.100 0.079 0.000 0.899 351 T CB 0.437 69.345 68.868 0.068 0.000 1.089 351 T HN 0.749 nan 8.240 nan 0.000 0.543 352 G N 1.206 109.973 108.800 -0.055 0.000 2.347 352 G HA2 0.304 4.263 3.960 -0.002 0.000 0.224 352 G HA3 0.304 4.263 3.960 -0.002 0.000 0.224 352 G C -1.662 173.122 174.900 -0.193 0.000 1.318 352 G CA -0.488 44.421 45.100 -0.318 0.000 1.016 352 G HN 0.604 nan 8.290 nan 0.000 0.469 353 W N 0.573 121.659 121.300 -0.358 0.000 2.359 353 W HA 0.769 5.428 4.660 -0.002 0.000 0.344 353 W C 0.190 176.680 176.519 -0.048 0.000 1.170 353 W CA -1.258 55.979 57.345 -0.181 0.000 1.296 353 W CB 0.772 30.076 29.460 -0.261 0.000 1.197 353 W HN 0.359 nan 8.180 nan 0.000 0.618 354 V N 3.882 123.884 119.914 0.147 0.000 2.924 354 V HA 0.457 4.576 4.120 -0.002 0.000 0.305 354 V C 1.254 177.440 176.094 0.154 0.000 1.073 354 V CA 0.851 63.207 62.300 0.092 0.000 1.098 354 V CB -0.037 31.846 31.823 0.101 0.000 1.000 354 V HN 1.274 nan 8.190 nan 0.000 0.484 355 G N 3.961 112.814 108.800 0.088 0.000 2.774 355 G HA2 -0.274 3.684 3.960 -0.002 0.000 0.279 355 G HA3 -0.274 3.684 3.960 -0.002 0.000 0.279 355 G C 0.551 175.541 174.900 0.151 0.000 1.372 355 G CA 0.753 45.920 45.100 0.112 0.000 0.913 355 G HN 0.744 nan 8.290 nan 0.000 0.562 356 R N -1.316 119.259 120.500 0.125 0.000 2.060 356 R HA 0.163 4.502 4.340 -0.002 0.000 0.225 356 R C 2.391 178.724 176.300 0.055 0.000 1.155 356 R CA 2.017 58.147 56.100 0.049 0.000 0.930 356 R CB -0.175 30.099 30.300 -0.043 0.000 0.829 356 R HN 0.448 nan 8.270 nan 0.000 0.433 357 F N -0.348 119.731 119.950 0.215 0.000 2.514 357 F HA 0.216 4.742 4.527 -0.002 0.000 0.281 357 F C 0.753 176.601 175.800 0.080 0.000 1.060 357 F CA 0.018 58.097 58.000 0.132 0.000 1.397 357 F CB 0.465 39.540 39.000 0.125 0.000 1.129 357 F HN -0.087 nan 8.300 nan 0.000 0.620 358 R N 0.266 120.938 120.500 0.287 0.000 2.774 358 R HA 0.468 4.807 4.340 -0.002 0.000 0.272 358 R C -3.116 173.279 176.300 0.158 0.000 1.000 358 R CA -1.989 54.216 56.100 0.175 0.000 0.906 358 R CB 0.866 31.248 30.300 0.137 0.000 1.227 358 R HN -0.275 nan 8.270 nan 0.000 0.468 359 P HA -0.048 nan 4.420 nan 0.000 0.270 359 P C -0.474 176.877 177.300 0.086 0.000 1.221 359 P CA -0.036 63.118 63.100 0.091 0.000 0.788 359 P CB 0.386 32.121 31.700 0.058 0.000 0.904 360 A N 1.754 124.625 122.820 0.084 0.000 2.371 360 A HA 0.201 4.520 4.320 -0.002 0.000 0.257 360 A C 0.448 178.075 177.584 0.072 0.000 1.089 360 A CA -0.459 51.640 52.037 0.103 0.000 0.794 360 A CB -0.066 19.009 19.000 0.125 0.000 1.029 360 A HN 0.474 nan 8.150 nan 0.000 0.488 361 E N 2.837 123.092 120.200 0.093 0.000 2.257 361 E HA 0.231 4.580 4.350 -0.002 0.000 0.278 361 E C -2.305 174.339 176.600 0.073 0.000 1.049 361 E CA -1.671 54.742 56.400 0.021 0.000 0.876 361 E CB 0.383 30.075 29.700 -0.013 0.000 1.035 361 E HN 0.441 nan 8.360 nan 0.000 0.419 362 P HA 0.095 nan 4.420 nan 0.000 0.275 362 P C -0.499 176.825 177.300 0.040 0.000 1.228 362 P CA 0.054 63.164 63.100 0.016 0.000 0.786 362 P CB 0.946 32.397 31.700 -0.414 0.000 0.927 363 H N 1.593 120.715 119.070 0.087 0.000 2.466 363 H HA 0.347 4.902 4.556 -0.002 0.000 0.338 363 H C -0.353 175.026 175.328 0.085 0.000 1.091 363 H CA -0.316 55.834 56.048 0.171 0.000 1.207 363 H CB 0.822 30.701 29.762 0.194 0.000 1.466 363 H HN 0.314 nan 8.280 nan 0.000 0.493 364 F N 1.003 121.052 119.950 0.164 0.000 2.440 364 F HA 0.146 4.672 4.527 -0.002 0.000 0.328 364 F C 1.090 176.958 175.800 0.114 0.000 1.070 364 F CA -0.747 57.331 58.000 0.130 0.000 1.011 364 F CB 1.374 40.411 39.000 0.062 0.000 1.226 364 F HN 0.372 nan 8.300 nan 0.000 0.491 365 T N -1.534 113.160 114.554 0.234 0.000 2.884 365 T HA 0.129 4.478 4.350 -0.002 0.000 0.298 365 T C 1.154 175.973 174.700 0.199 0.000 0.998 365 T CA -0.568 61.633 62.100 0.168 0.000 1.124 365 T CB 1.215 70.136 68.868 0.088 0.000 0.931 365 T HN 0.561 nan 8.240 nan 0.000 0.531 366 S N 2.010 117.805 115.700 0.157 0.000 2.399 366 S HA -0.227 4.242 4.470 -0.002 0.000 0.235 366 S C 1.911 176.587 174.600 0.127 0.000 1.063 366 S CA 2.005 60.285 58.200 0.132 0.000 1.070 366 S CB -0.529 62.732 63.200 0.101 0.000 0.904 366 S HN 0.978 nan 8.310 nan 0.000 0.456 367 D N -0.534 119.941 120.400 0.126 0.000 2.224 367 D HA 0.034 4.673 4.640 -0.002 0.000 0.205 367 D C 1.514 177.900 176.300 0.144 0.000 0.965 367 D CA 1.064 55.135 54.000 0.118 0.000 0.852 367 D CB -0.519 40.345 40.800 0.105 0.000 0.947 367 D HN 0.551 nan 8.370 nan 0.000 0.494 368 G N 1.210 110.133 108.800 0.205 0.000 2.176 368 G HA2 -0.315 3.643 3.960 -0.002 0.000 0.253 368 G HA3 -0.315 3.643 3.960 -0.002 0.000 0.253 368 G C 0.689 175.784 174.900 0.326 0.000 0.979 368 G CA 0.352 45.633 45.100 0.301 0.000 0.641 368 G HN 0.402 nan 8.290 nan 0.000 0.530 369 N N 0.468 119.302 118.700 0.224 0.000 2.515 369 N HA 0.321 5.060 4.740 -0.002 0.000 0.185 369 N C 0.726 176.359 175.510 0.205 0.000 1.109 369 N CA 1.051 54.219 53.050 0.197 0.000 0.903 369 N CB 0.248 38.817 38.487 0.136 0.000 0.969 369 N HN 0.892 nan 8.380 nan 0.000 0.450 370 S N -0.700 115.119 115.700 0.199 0.000 2.567 370 S HA 0.623 5.092 4.470 -0.002 0.000 0.270 370 S C -1.267 173.249 174.600 -0.139 0.000 1.152 370 S CA -1.240 56.998 58.200 0.064 0.000 0.835 370 S CB 0.808 64.056 63.200 0.080 0.000 1.115 370 S HN 0.167 nan 8.310 nan 0.000 0.459 371 F N -1.369 118.258 119.950 -0.537 0.000 2.643 371 F HA 0.843 5.369 4.527 -0.002 0.000 0.314 371 F C -1.970 173.414 175.800 -0.694 0.000 1.096 371 F CA -1.557 55.938 58.000 -0.842 0.000 0.953 371 F CB 0.879 38.970 39.000 -1.516 0.000 1.345 371 F HN 0.616 nan 8.300 nan 0.000 0.468 372 Y N 1.330 121.648 120.300 0.031 0.000 2.328 372 Y HA 0.532 5.081 4.550 -0.002 0.000 0.336 372 Y C -0.322 175.705 175.900 0.212 0.000 0.960 372 Y CA -0.795 57.331 58.100 0.043 0.000 1.134 372 Y CB 1.919 40.348 38.460 -0.052 0.000 1.166 372 Y HN 0.655 nan 8.280 nan 0.000 0.464 373 K N 4.474 125.118 120.400 0.407 0.000 2.482 373 K HA 0.518 4.837 4.320 -0.002 0.000 0.251 373 K C -1.201 175.576 176.600 0.295 0.000 0.936 373 K CA -0.583 55.910 56.287 0.343 0.000 0.791 373 K CB 1.357 34.021 32.500 0.273 0.000 1.213 373 K HN 0.718 nan 8.250 nan 0.000 0.428 374 I N 6.286 126.970 120.570 0.190 0.000 2.683 374 I HA 0.103 4.272 4.170 -0.002 0.000 0.286 374 I C 0.320 176.532 176.117 0.158 0.000 1.175 374 I CA 0.126 61.508 61.300 0.137 0.000 1.429 374 I CB 0.083 38.130 38.000 0.079 0.000 1.371 374 I HN 0.556 nan 8.210 nan 0.000 0.569 375 I N 1.394 122.074 120.570 0.183 0.000 3.006 375 I HA 0.414 4.583 4.170 -0.002 0.000 0.306 375 I C -0.455 175.792 176.117 0.217 0.000 1.250 375 I CA -0.861 60.550 61.300 0.185 0.000 0.996 375 I CB 2.054 40.188 38.000 0.222 0.000 1.261 375 I HN 0.223 nan 8.210 nan 0.000 0.442 376 S N 3.049 118.820 115.700 0.117 0.000 2.531 376 S HA 0.192 4.661 4.470 -0.002 0.000 0.279 376 S C 0.002 174.697 174.600 0.158 0.000 1.305 376 S CA -0.408 57.818 58.200 0.042 0.000 1.058 376 S CB 0.049 63.205 63.200 -0.074 0.000 0.899 376 S HN 0.798 nan 8.310 nan 0.000 0.493 377 N N 2.453 121.172 118.700 0.032 0.000 2.431 377 N HA 0.209 4.948 4.740 -0.002 0.000 0.289 377 N C 0.644 176.104 175.510 -0.083 0.000 1.277 377 N CA -0.519 52.449 53.050 -0.135 0.000 0.972 377 N CB 0.006 37.976 38.487 -0.862 0.000 1.143 377 N HN 0.303 nan 8.380 nan 0.000 0.578 378 E N -0.631 119.493 120.200 -0.127 0.000 2.171 378 E HA -0.186 4.163 4.350 -0.002 0.000 0.197 378 E C 0.628 177.195 176.600 -0.056 0.000 0.997 378 E CA 1.636 57.997 56.400 -0.066 0.000 0.810 378 E CB -0.177 29.477 29.700 -0.076 0.000 0.738 378 E HN 0.690 nan 8.360 nan 0.000 0.467 379 E N -1.449 118.723 120.200 -0.047 0.000 2.481 379 E HA 0.217 4.566 4.350 -0.002 0.000 0.198 379 E C 0.500 177.145 176.600 0.075 0.000 1.027 379 E CA 0.351 56.771 56.400 0.034 0.000 0.900 379 E CB 0.835 30.567 29.700 0.052 0.000 0.993 379 E HN 0.301 nan 8.360 nan 0.000 0.482 380 G N 1.126 109.906 108.800 -0.035 0.000 2.134 380 G HA2 -0.235 3.723 3.960 -0.002 0.000 0.209 380 G HA3 -0.235 3.723 3.960 -0.002 0.000 0.209 380 G C -0.458 174.174 174.900 -0.446 0.000 0.993 380 G CA -0.384 44.569 45.100 -0.244 0.000 0.669 380 G HN 0.144 nan 8.290 nan 0.000 0.519 381 Y N -0.410 119.751 120.300 -0.231 0.000 2.457 381 Y HA 0.711 5.259 4.550 -0.002 0.000 0.333 381 Y C 0.589 176.261 175.900 -0.381 0.000 1.119 381 Y CA -1.322 56.592 58.100 -0.311 0.000 1.143 381 Y CB 1.323 39.584 38.460 -0.330 0.000 1.230 381 Y HN -0.066 nan 8.280 nan 0.000 0.469 382 K N 2.938 123.099 120.400 -0.399 0.000 2.273 382 K HA 0.261 4.580 4.320 -0.002 0.000 0.287 382 K C -1.203 174.984 176.600 -0.688 0.000 1.089 382 K CA 0.017 56.086 56.287 -0.363 0.000 0.909 382 K CB -0.287 32.075 32.500 -0.230 0.000 1.123 382 K HN 0.516 nan 8.250 nan 0.000 0.473 383 H N 2.023 121.055 119.070 -0.063 0.000 2.851 383 H HA 0.318 4.873 4.556 -0.002 0.000 0.372 383 H C -0.103 175.257 175.328 0.053 0.000 1.158 383 H CA -0.942 55.041 56.048 -0.107 0.000 1.159 383 H CB 1.346 30.987 29.762 -0.203 0.000 1.757 383 H HN 0.354 nan 8.280 nan 0.000 0.546 384 I N 2.010 122.611 120.570 0.051 0.000 2.691 384 I HA -0.103 4.066 4.170 -0.002 0.000 0.288 384 I C 0.638 176.769 176.117 0.022 0.000 1.143 384 I CA 0.533 61.830 61.300 -0.006 0.000 1.364 384 I CB -0.387 37.511 38.000 -0.169 0.000 1.435 384 I HN 0.164 nan 8.210 nan 0.000 0.551 385 c N 7.182 125.764 118.600 -0.031 0.000 2.319 385 c HA 0.264 4.833 4.570 -0.002 0.000 0.335 385 c C 0.372 174.350 174.090 -0.186 0.000 1.274 385 c CA -0.425 55.663 56.329 -0.401 0.000 1.806 385 c CB 0.324 42.273 42.510 -0.936 0.000 2.329 385 c HN 0.754 nan 8.230 nan 0.000 0.524 386 H N 4.723 123.580 119.070 -0.356 0.000 2.594 386 H HA 0.495 5.050 4.556 -0.002 0.000 0.304 386 H C -1.137 173.880 175.328 -0.519 0.000 1.068 386 H CA -0.434 55.520 56.048 -0.155 0.000 1.308 386 H CB 0.350 30.212 29.762 0.165 0.000 1.409 386 H HN 0.590 nan 8.280 nan 0.000 0.460 387 F N 2.177 121.895 119.950 -0.387 0.000 2.507 387 F HA 0.279 4.805 4.527 -0.002 0.000 0.327 387 F C 0.218 175.679 175.800 -0.565 0.000 1.068 387 F CA -0.877 56.747 58.000 -0.627 0.000 0.965 387 F CB 1.646 40.108 39.000 -0.896 0.000 1.192 387 F HN 0.491 nan 8.300 nan 0.000 0.476 388 Q N 0.676 120.404 119.800 -0.119 0.000 2.314 388 Q HA 0.198 4.537 4.340 -0.002 0.000 0.259 388 Q C 0.825 176.963 176.000 0.229 0.000 0.951 388 Q CA -0.263 55.540 55.803 0.000 0.000 0.909 388 Q CB 1.742 30.457 28.738 -0.037 0.000 1.236 388 Q HN 0.796 nan 8.270 nan 0.000 0.444 389 T N 1.685 116.432 114.554 0.321 0.000 2.795 389 T HA -0.233 4.116 4.350 -0.002 0.000 0.266 389 T C 0.578 175.527 174.700 0.415 0.000 1.056 389 T CA 2.184 64.571 62.100 0.478 0.000 1.141 389 T CB -0.157 68.942 68.868 0.384 0.000 0.840 389 T HN 0.725 nan 8.240 nan 0.000 0.493 390 D N -1.431 119.120 120.400 0.252 0.000 2.513 390 D HA 0.154 4.793 4.640 -0.002 0.000 0.222 390 D C 0.018 176.355 176.300 0.061 0.000 1.210 390 D CA -0.348 53.751 54.000 0.164 0.000 0.825 390 D CB 0.412 41.280 40.800 0.113 0.000 1.037 390 D HN 0.013 nan 8.370 nan 0.000 0.506 391 K N 0.317 120.724 120.400 0.012 0.000 2.378 391 K HA 0.327 4.646 4.320 -0.002 0.000 0.252 391 K C 0.460 176.955 176.600 -0.174 0.000 0.931 391 K CA -0.492 55.752 56.287 -0.071 0.000 0.794 391 K CB 1.902 34.360 32.500 -0.069 0.000 1.181 391 K HN 0.025 nan 8.250 nan 0.000 0.425 392 S N 0.341 115.938 115.700 -0.172 0.000 2.660 392 S HA -0.071 4.398 4.470 -0.002 0.000 0.223 392 S C 0.381 174.911 174.600 -0.116 0.000 0.963 392 S CA -0.086 58.001 58.200 -0.188 0.000 0.932 392 S CB -0.782 62.343 63.200 -0.125 0.000 0.775 392 S HN 0.665 nan 8.310 nan 0.000 0.531 393 N N 0.676 119.291 118.700 -0.141 0.000 2.319 393 N HA 0.633 5.372 4.740 -0.002 0.000 0.305 393 N C -0.497 174.808 175.510 -0.342 0.000 1.103 393 N CA -0.713 52.223 53.050 -0.190 0.000 0.815 393 N CB 1.257 39.651 38.487 -0.155 0.000 1.288 393 N HN 0.355 nan 8.380 nan 0.000 0.493 394 c N -1.302 116.971 118.600 -0.545 0.000 2.913 394 c HA 0.870 5.439 4.570 -0.002 0.000 0.322 394 c C -0.481 173.258 174.090 -0.585 0.000 1.292 394 c CA -0.631 55.197 56.329 -0.835 0.000 1.649 394 c CB 1.126 42.514 42.510 -1.871 0.000 2.139 394 c HN 0.717 nan 8.230 nan 0.000 0.475 395 T N 2.097 116.359 114.554 -0.487 0.000 2.864 395 T HA 0.430 4.779 4.350 -0.002 0.000 0.310 395 T C -0.554 174.052 174.700 -0.157 0.000 1.040 395 T CA 0.130 62.101 62.100 -0.215 0.000 0.977 395 T CB -0.063 68.774 68.868 -0.051 0.000 0.976 395 T HN 0.490 nan 8.240 nan 0.000 0.459 396 F N 3.095 122.963 119.950 -0.138 0.000 2.629 396 F HA 0.083 4.609 4.527 -0.002 0.000 0.377 396 F C 1.651 177.336 175.800 -0.193 0.000 1.101 396 F CA -0.242 57.666 58.000 -0.153 0.000 1.301 396 F CB 0.344 39.260 39.000 -0.139 0.000 1.062 396 F HN 0.598 nan 8.300 nan 0.000 0.583 397 I N -0.228 120.251 120.570 -0.152 0.000 4.025 397 I HA 0.298 4.467 4.170 -0.002 0.000 0.336 397 I C -0.131 175.813 176.117 -0.288 0.000 1.390 397 I CA 0.037 60.991 61.300 -0.577 0.000 1.099 397 I CB 0.103 37.396 38.000 -1.177 0.000 1.049 397 I HN 0.490 nan 8.210 nan 0.000 0.394 398 T N -0.382 114.075 114.554 -0.162 0.000 2.982 398 T HA 0.613 4.962 4.350 -0.002 0.000 0.321 398 T C -0.809 173.483 174.700 -0.680 0.000 1.229 398 T CA -0.714 61.250 62.100 -0.226 0.000 1.044 398 T CB 2.712 71.502 68.868 -0.130 0.000 1.184 398 T HN 0.318 nan 8.240 nan 0.000 0.477 399 K N 0.929 120.866 120.400 -0.771 0.000 2.430 399 K HA 0.962 5.281 4.320 -0.002 0.000 0.268 399 K C 0.186 176.302 176.600 -0.807 0.000 1.043 399 K CA -0.403 55.286 56.287 -0.996 0.000 0.899 399 K CB 1.323 33.551 32.500 -0.454 0.000 1.472 399 K HN 1.812 nan 8.250 nan 0.000 0.451 400 G N -1.103 107.345 108.800 -0.586 0.000 2.298 400 G HA2 0.339 4.298 3.960 -0.002 0.000 0.309 400 G HA3 0.339 4.298 3.960 -0.002 0.000 0.309 400 G C -1.339 173.201 174.900 -0.599 0.000 1.279 400 G CA -0.014 44.904 45.100 -0.304 0.000 1.042 400 G HN 1.049 nan 8.290 nan 0.000 0.480 401 A N 0.078 122.676 122.820 -0.369 0.000 2.985 401 A HA 0.676 4.995 4.320 -0.002 0.000 0.303 401 A C 0.004 177.577 177.584 -0.018 0.000 1.048 401 A CA 0.466 52.096 52.037 -0.679 0.000 1.016 401 A CB -0.563 18.250 19.000 -0.312 0.000 1.118 401 A HN 1.662 nan 8.150 nan 0.000 0.529 402 W N -1.234 120.110 121.300 0.073 0.000 3.003 402 W HA 0.778 5.437 4.660 -0.002 0.000 0.362 402 W C -0.986 175.641 176.519 0.181 0.000 1.213 402 W CA -0.866 56.594 57.345 0.192 0.000 1.157 402 W CB 0.334 29.855 29.460 0.101 0.000 1.493 402 W HN 0.142 nan 8.180 nan 0.000 0.589 403 E N 0.594 120.902 120.200 0.179 0.000 2.317 403 E HA 0.436 4.785 4.350 -0.002 0.000 0.270 403 E C -1.146 175.466 176.600 0.020 0.000 0.885 403 E CA -1.116 55.174 56.400 -0.183 0.000 0.760 403 E CB 3.313 32.965 29.700 -0.080 0.000 1.227 403 E HN 0.146 nan 8.360 nan 0.000 0.434 404 V N 3.913 123.705 119.914 -0.203 0.000 2.488 404 V HA 0.012 4.130 4.120 -0.002 0.000 0.277 404 V C 1.251 177.367 176.094 0.038 0.000 1.046 404 V CA -0.135 62.133 62.300 -0.053 0.000 0.986 404 V CB 0.666 32.322 31.823 -0.279 0.000 0.989 404 V HN 0.716 nan 8.190 nan 0.000 0.475 405 I N 2.966 123.609 120.570 0.122 0.000 2.617 405 I HA 0.205 4.373 4.170 -0.002 0.000 0.256 405 I C 1.124 177.335 176.117 0.158 0.000 1.167 405 I CA 1.266 62.655 61.300 0.147 0.000 1.469 405 I CB -1.079 36.975 38.000 0.091 0.000 1.098 405 I HN 0.865 nan 8.210 nan 0.000 0.436 406 G N 0.701 109.585 108.800 0.140 0.000 2.322 406 G HA2 0.204 4.163 3.960 -0.002 0.000 0.289 406 G HA3 0.204 4.163 3.960 -0.002 0.000 0.289 406 G C -0.561 174.420 174.900 0.135 0.000 1.687 406 G CA -0.903 44.279 45.100 0.136 0.000 0.944 406 G HN -0.023 nan 8.290 nan 0.000 0.718 407 I N 0.914 121.497 120.570 0.021 0.000 3.045 407 I HA 0.081 4.250 4.170 -0.002 0.000 0.288 407 I C 1.133 177.262 176.117 0.020 0.000 1.238 407 I CA 0.286 61.525 61.300 -0.102 0.000 1.396 407 I CB 0.672 38.279 38.000 -0.653 0.000 1.355 407 I HN 0.631 nan 8.210 nan 0.000 0.601 408 E N 1.967 122.196 120.200 0.048 0.000 2.564 408 E HA 0.338 4.687 4.350 -0.002 0.000 0.203 408 E C -0.144 176.448 176.600 -0.014 0.000 0.867 408 E CA 0.265 56.754 56.400 0.148 0.000 1.250 408 E CB 1.186 31.070 29.700 0.307 0.000 1.215 408 E HN 0.729 nan 8.360 nan 0.000 0.566 409 A N 0.523 123.182 122.820 -0.268 0.000 2.533 409 A HA 0.778 5.097 4.320 -0.002 0.000 0.293 409 A C -1.886 175.592 177.584 -0.175 0.000 1.228 409 A CA -0.494 51.285 52.037 -0.430 0.000 0.689 409 A CB 1.674 19.841 19.000 -1.388 0.000 1.303 409 A HN 0.039 nan 8.150 nan 0.000 0.444 410 L N -0.095 121.057 121.223 -0.119 0.000 2.847 410 L HA 0.590 4.929 4.340 -0.002 0.000 0.261 410 L C -0.177 176.727 176.870 0.055 0.000 0.926 410 L CA 0.695 55.566 54.840 0.052 0.000 1.010 410 L CB 1.461 43.619 42.059 0.165 0.000 1.538 410 L HN 1.372 nan 8.230 nan 0.000 0.465 411 T N -0.218 114.388 114.554 0.087 0.000 2.768 411 T HA 0.557 4.906 4.350 -0.002 0.000 0.268 411 T C 0.820 175.543 174.700 0.038 0.000 0.969 411 T CA 0.130 62.258 62.100 0.047 0.000 1.008 411 T CB 1.073 69.956 68.868 0.024 0.000 1.371 411 T HN 0.599 nan 8.240 nan 0.000 0.587 412 S N -0.074 115.617 115.700 -0.016 0.000 2.470 412 S HA 0.049 4.518 4.470 -0.002 0.000 0.225 412 S C 0.859 175.412 174.600 -0.079 0.000 1.006 412 S CA 0.349 58.541 58.200 -0.013 0.000 0.934 412 S CB -0.279 62.913 63.200 -0.014 0.000 0.778 412 S HN 0.722 nan 8.310 nan 0.000 0.517 413 D N -0.033 120.220 120.400 -0.244 0.000 2.431 413 D HA 0.189 4.827 4.640 -0.002 0.000 0.235 413 D C 0.339 176.453 176.300 -0.311 0.000 0.980 413 D CA 0.599 54.345 54.000 -0.424 0.000 0.912 413 D CB 0.112 40.361 40.800 -0.917 0.000 1.056 413 D HN 0.431 nan 8.370 nan 0.000 0.494 414 Y N -0.088 120.232 120.300 0.033 0.000 2.699 414 Y HA 0.636 5.185 4.550 -0.002 0.000 0.326 414 Y C -0.012 175.891 175.900 0.004 0.000 1.141 414 Y CA -1.336 56.748 58.100 -0.027 0.000 1.246 414 Y CB 2.056 40.458 38.460 -0.098 0.000 1.426 414 Y HN -0.280 nan 8.280 nan 0.000 0.559 415 L N 1.226 122.540 121.223 0.152 0.000 2.811 415 L HA 0.347 4.686 4.340 -0.002 0.000 0.251 415 L C -1.991 174.952 176.870 0.122 0.000 0.971 415 L CA -0.493 54.415 54.840 0.113 0.000 0.990 415 L CB 0.357 42.343 42.059 -0.122 0.000 1.320 415 L HN 0.543 nan 8.230 nan 0.000 0.473 416 Y N 3.606 123.828 120.300 -0.130 0.000 2.295 416 Y HA 0.620 5.169 4.550 -0.002 0.000 0.331 416 Y C 0.224 176.152 175.900 0.046 0.000 1.311 416 Y CA -0.234 57.791 58.100 -0.125 0.000 1.430 416 Y CB 0.593 38.901 38.460 -0.253 0.000 1.339 416 Y HN 0.559 nan 8.280 nan 0.000 0.552 417 Y N -2.035 118.373 120.300 0.180 0.000 2.925 417 Y HA 0.675 5.224 4.550 -0.002 0.000 0.349 417 Y C -2.315 173.691 175.900 0.176 0.000 1.342 417 Y CA -2.088 56.093 58.100 0.135 0.000 1.093 417 Y CB 0.624 39.124 38.460 0.067 0.000 1.571 417 Y HN 0.312 nan 8.280 nan 0.000 0.438 418 I N 2.641 123.547 120.570 0.559 0.000 2.608 418 I HA 0.714 4.883 4.170 -0.002 0.000 0.295 418 I C -0.572 175.787 176.117 0.402 0.000 1.049 418 I CA -0.475 61.044 61.300 0.364 0.000 1.063 418 I CB 1.840 39.973 38.000 0.223 0.000 1.248 418 I HN 0.898 nan 8.210 nan 0.000 0.424 419 S N 3.076 118.898 115.700 0.203 0.000 2.596 419 S HA 0.422 4.891 4.470 -0.002 0.000 0.270 419 S C -0.281 174.354 174.600 0.058 0.000 1.155 419 S CA -0.792 57.504 58.200 0.159 0.000 0.827 419 S CB 1.968 65.240 63.200 0.120 0.000 1.130 419 S HN 0.611 nan 8.310 nan 0.000 0.467 420 N N -0.065 118.702 118.700 0.112 0.000 2.230 420 N HA 0.097 4.836 4.740 -0.002 0.000 0.202 420 N C 0.866 176.418 175.510 0.070 0.000 1.119 420 N CA 0.089 53.176 53.050 0.062 0.000 0.851 420 N CB -0.187 38.320 38.487 0.033 0.000 0.990 420 N HN 0.815 nan 8.380 nan 0.000 0.497 421 E N 0.569 120.750 120.200 -0.032 0.000 2.086 421 E HA -0.306 4.043 4.350 -0.002 0.000 0.205 421 E C -0.056 176.502 176.600 -0.069 0.000 1.027 421 E CA 0.950 57.184 56.400 -0.276 0.000 0.830 421 E CB -0.341 28.652 29.700 -1.178 0.000 0.751 421 E HN 0.543 nan 8.360 nan 0.000 0.456 422 H N 0.697 119.746 119.070 -0.034 0.000 3.181 422 H HA -0.149 4.406 4.556 -0.002 0.000 0.316 422 H C 0.129 175.455 175.328 -0.002 0.000 0.995 422 H CA 1.588 57.632 56.048 -0.007 0.000 1.332 422 H CB 0.273 30.047 29.762 0.020 0.000 1.245 422 H HN 0.126 nan 8.280 nan 0.000 0.592 423 K N 2.727 122.863 120.400 -0.439 0.000 2.852 423 K HA -0.286 4.032 4.320 -0.002 0.000 0.248 423 K C 1.156 177.732 176.600 -0.039 0.000 0.967 423 K CA 0.889 57.010 56.287 -0.276 0.000 0.724 423 K CB -1.613 30.686 32.500 -0.335 0.000 1.223 423 K HN 1.057 nan 8.250 nan 0.000 0.480 424 G N 0.191 108.991 108.800 0.000 0.000 2.200 424 G HA2 -0.366 3.593 3.960 -0.002 0.000 0.268 424 G HA3 -0.366 3.593 3.960 -0.002 0.000 0.268 424 G C 0.147 175.119 174.900 0.119 0.000 0.986 424 G CA 0.969 46.132 45.100 0.105 0.000 0.677 424 G HN 0.389 nan 8.290 nan 0.000 0.532 425 M N 1.478 121.057 119.600 -0.035 0.000 2.156 425 M HA 0.202 4.681 4.480 -0.002 0.000 0.345 425 M C -0.660 175.436 176.300 -0.340 0.000 1.398 425 M CA -1.571 53.494 55.300 -0.391 0.000 1.148 425 M CB 1.113 33.490 32.600 -0.371 0.000 1.663 425 M HN -0.060 nan 8.290 nan 0.000 0.464 426 P HA -0.091 nan 4.420 nan 0.000 0.228 426 P C 0.878 178.066 177.300 -0.186 0.000 1.151 426 P CA 1.093 64.085 63.100 -0.180 0.000 0.770 426 P CB 0.065 31.704 31.700 -0.103 0.000 0.786 427 G N -0.513 108.100 108.800 -0.312 0.000 3.518 427 G HA2 0.383 4.342 3.960 -0.002 0.000 0.273 427 G HA3 0.383 4.342 3.960 -0.002 0.000 0.273 427 G C 0.485 175.413 174.900 0.046 0.000 1.199 427 G CA -0.044 44.990 45.100 -0.111 0.000 0.899 427 G HN 0.417 nan 8.290 nan 0.000 0.533 428 G N -0.196 108.599 108.800 -0.009 0.000 2.498 428 G HA2 0.661 4.620 3.960 -0.002 0.000 0.312 428 G HA3 0.661 4.620 3.960 -0.002 0.000 0.312 428 G C -1.029 173.821 174.900 -0.083 0.000 1.230 428 G CA -0.807 44.332 45.100 0.065 0.000 0.968 428 G HN 0.073 nan 8.290 nan 0.000 0.481 429 R N 1.146 121.561 120.500 -0.141 0.000 2.532 429 R HA 0.488 4.827 4.340 -0.002 0.000 0.297 429 R C -1.174 175.163 176.300 0.062 0.000 0.984 429 R CA -0.803 55.178 56.100 -0.198 0.000 0.884 429 R CB 2.026 31.930 30.300 -0.660 0.000 1.182 429 R HN 0.605 nan 8.270 nan 0.000 0.442 430 N N 1.532 120.302 118.700 0.116 0.000 2.329 430 N HA 0.288 5.027 4.740 -0.002 0.000 0.282 430 N C -1.324 174.298 175.510 0.186 0.000 1.198 430 N CA -0.817 52.298 53.050 0.108 0.000 0.790 430 N CB 2.571 41.090 38.487 0.053 0.000 1.579 430 N HN 0.212 nan 8.380 nan 0.000 0.475 431 L N 2.411 123.602 121.223 -0.053 0.000 2.281 431 L HA 0.384 4.723 4.340 -0.002 0.000 0.285 431 L C -1.394 175.342 176.870 -0.224 0.000 1.074 431 L CA 0.018 54.826 54.840 -0.054 0.000 0.817 431 L CB -0.469 41.511 42.059 -0.133 0.000 1.168 431 L HN 0.365 nan 8.230 nan 0.000 0.434 432 Y N 4.767 124.737 120.300 -0.550 0.000 2.326 432 Y HA 0.464 5.013 4.550 -0.002 0.000 0.331 432 Y C 0.072 175.541 175.900 -0.719 0.000 0.962 432 Y CA -0.728 56.924 58.100 -0.747 0.000 1.167 432 Y CB 1.152 38.875 38.460 -1.228 0.000 1.148 432 Y HN 0.506 nan 8.280 nan 0.000 0.463 433 R N 5.176 125.369 120.500 -0.511 0.000 2.198 433 R HA 0.493 4.832 4.340 -0.002 0.000 0.339 433 R C -0.884 175.155 176.300 -0.434 0.000 1.020 433 R CA -0.256 55.428 56.100 -0.693 0.000 0.864 433 R CB 0.341 30.011 30.300 -1.050 0.000 1.105 433 R HN 0.891 nan 8.270 nan 0.000 0.463 434 I N 2.403 122.829 120.570 -0.239 0.000 2.783 434 I HA 0.217 4.386 4.170 -0.002 0.000 0.312 434 I C -0.565 175.557 176.117 0.008 0.000 0.988 434 I CA -0.756 60.515 61.300 -0.047 0.000 1.182 434 I CB 1.770 39.820 38.000 0.083 0.000 1.368 434 I HN 0.639 nan 8.210 nan 0.000 0.511 435 Q N 3.652 123.523 119.800 0.119 0.000 2.293 435 Q HA 0.269 4.608 4.340 -0.002 0.000 0.261 435 Q C -0.195 175.952 176.000 0.245 0.000 0.960 435 Q CA -0.642 55.291 55.803 0.217 0.000 0.882 435 Q CB 1.840 30.692 28.738 0.189 0.000 1.275 435 Q HN 0.695 nan 8.270 nan 0.000 0.445 436 L N 3.331 124.658 121.223 0.174 0.000 2.201 436 L HA -0.142 4.197 4.340 -0.002 0.000 0.212 436 L C 1.561 178.546 176.870 0.193 0.000 1.105 436 L CA 1.648 56.614 54.840 0.209 0.000 0.775 436 L CB -0.574 41.544 42.059 0.098 0.000 0.913 436 L HN 0.756 nan 8.230 nan 0.000 0.440 437 N N -1.644 117.097 118.700 0.068 0.000 2.305 437 N HA -0.057 4.682 4.740 -0.002 0.000 0.179 437 N C 0.285 175.701 175.510 -0.156 0.000 1.019 437 N CA 0.556 53.584 53.050 -0.036 0.000 0.869 437 N CB -0.120 38.360 38.487 -0.012 0.000 1.000 437 N HN 0.196 nan 8.380 nan 0.000 0.431 438 D N -1.021 119.339 120.400 -0.067 0.000 2.440 438 D HA 0.177 4.816 4.640 -0.002 0.000 0.252 438 D C -0.351 175.992 176.300 0.072 0.000 1.180 438 D CA -0.727 53.224 54.000 -0.083 0.000 0.894 438 D CB 0.305 41.093 40.800 -0.020 0.000 1.111 438 D HN -0.009 nan 8.370 nan 0.000 0.544 439 Y N 1.643 121.955 120.300 0.021 0.000 2.403 439 Y HA -0.095 4.454 4.550 -0.002 0.000 0.291 439 Y C 2.350 178.267 175.900 0.027 0.000 1.143 439 Y CA 0.663 58.778 58.100 0.025 0.000 1.257 439 Y CB -1.068 37.409 38.460 0.027 0.000 0.984 439 Y HN 0.379 nan 8.280 nan 0.000 0.550 440 T N 0.035 114.676 114.554 0.145 0.000 2.635 440 T HA -0.191 4.158 4.350 -0.002 0.000 0.267 440 T C 0.882 175.620 174.700 0.064 0.000 1.040 440 T CA 1.182 63.331 62.100 0.082 0.000 1.156 440 T CB -0.324 68.565 68.868 0.035 0.000 0.863 440 T HN 0.216 nan 8.240 nan 0.000 0.430 441 K N 2.124 122.555 120.400 0.053 0.000 2.165 441 K HA 0.302 4.621 4.320 -0.002 0.000 0.270 441 K C -0.915 175.688 176.600 0.006 0.000 1.091 441 K CA -0.117 56.181 56.287 0.019 0.000 1.019 441 K CB 0.286 32.798 32.500 0.019 0.000 1.101 441 K HN 0.070 nan 8.250 nan 0.000 0.397 442 V N 3.520 123.427 119.914 -0.011 0.000 2.380 442 V HA 0.208 4.327 4.120 -0.002 0.000 0.286 442 V C -0.618 175.409 176.094 -0.111 0.000 1.015 442 V CA -0.312 61.970 62.300 -0.030 0.000 0.834 442 V CB 1.698 33.566 31.823 0.075 0.000 1.009 442 V HN 0.642 nan 8.190 nan 0.000 0.428 443 T N 5.137 119.563 114.554 -0.214 0.000 2.927 443 T HA 0.371 4.720 4.350 -0.002 0.000 0.281 443 T C -0.465 173.958 174.700 -0.462 0.000 0.998 443 T CA -0.296 61.628 62.100 -0.292 0.000 1.019 443 T CB 1.394 70.084 68.868 -0.297 0.000 1.061 443 T HN 0.818 nan 8.240 nan 0.000 0.518 444 C N 3.805 122.774 119.300 -0.551 0.000 2.437 444 C HA 0.450 4.909 4.460 -0.002 0.000 0.307 444 C C 1.480 176.137 174.990 -0.556 0.000 1.093 444 C CA -0.787 57.715 59.018 -0.861 0.000 1.463 444 C CB -1.983 25.110 27.740 -1.080 0.000 1.926 444 C HN 0.947 nan 8.230 nan 0.000 0.420 445 L N 3.985 124.935 121.223 -0.455 0.000 2.549 445 L HA 0.015 4.354 4.340 -0.002 0.000 0.230 445 L C 1.964 178.643 176.870 -0.318 0.000 1.162 445 L CA 1.420 56.089 54.840 -0.286 0.000 0.834 445 L CB -0.529 41.422 42.059 -0.180 0.000 0.947 445 L HN 0.872 nan 8.230 nan 0.000 0.452 446 S N -3.903 111.507 115.700 -0.483 0.000 2.651 446 S HA 0.010 4.479 4.470 -0.002 0.000 0.259 446 S C 1.671 175.924 174.600 -0.579 0.000 1.073 446 S CA -0.072 57.749 58.200 -0.631 0.000 1.090 446 S CB -0.311 62.217 63.200 -1.120 0.000 1.042 446 S HN 0.321 nan 8.310 nan 0.000 0.581 447 C N 1.887 120.839 119.300 -0.580 0.000 2.398 447 C HA 0.026 4.485 4.460 -0.002 0.000 0.282 447 C C 1.544 176.242 174.990 -0.486 0.000 1.275 447 C CA 1.275 59.867 59.018 -0.711 0.000 1.797 447 C CB -1.092 26.192 27.740 -0.760 0.000 1.991 447 C HN 0.631 nan 8.230 nan 0.000 0.505 448 E N -0.894 119.126 120.200 -0.300 0.000 3.157 448 E HA 0.298 4.647 4.350 -0.002 0.000 0.203 448 E C 1.008 177.549 176.600 -0.099 0.000 0.982 448 E CA -0.033 56.275 56.400 -0.153 0.000 1.217 448 E CB 0.026 29.658 29.700 -0.114 0.000 1.123 448 E HN 0.490 nan 8.360 nan 0.000 0.457 449 L N -0.534 120.632 121.223 -0.095 0.000 2.253 449 L HA 0.285 4.624 4.340 -0.002 0.000 0.205 449 L C 0.016 176.889 176.870 0.006 0.000 1.078 449 L CA 0.480 55.302 54.840 -0.031 0.000 0.805 449 L CB 0.169 42.225 42.059 -0.006 0.000 0.963 449 L HN 0.022 nan 8.230 nan 0.000 0.459 450 N N -0.927 117.790 118.700 0.027 0.000 2.839 450 N HA 0.106 4.845 4.740 -0.002 0.000 0.230 450 N C -2.301 173.243 175.510 0.058 0.000 1.388 450 N CA -0.527 52.547 53.050 0.039 0.000 0.747 450 N CB 1.438 39.953 38.487 0.046 0.000 1.411 450 N HN -0.153 nan 8.380 nan 0.000 0.556 451 P HA 0.006 nan 4.420 nan 0.000 0.242 451 P C 0.095 177.454 177.300 0.100 0.000 1.197 451 P CA 0.846 64.005 63.100 0.098 0.000 0.765 451 P CB 0.771 32.537 31.700 0.110 0.000 0.936 452 E N -0.336 119.900 120.200 0.059 0.000 2.306 452 E HA 0.063 4.412 4.350 -0.002 0.000 0.201 452 E C 1.959 178.573 176.600 0.024 0.000 0.874 452 E CA 0.327 56.752 56.400 0.041 0.000 0.972 452 E CB 0.053 29.766 29.700 0.020 0.000 0.957 452 E HN 0.234 nan 8.360 nan 0.000 0.492 453 R N 0.010 120.513 120.500 0.005 0.000 2.290 453 R HA 0.147 4.486 4.340 -0.002 0.000 0.197 453 R C -0.299 175.980 176.300 -0.036 0.000 0.913 453 R CA 0.338 56.418 56.100 -0.034 0.000 1.040 453 R CB 0.434 30.696 30.300 -0.064 0.000 0.992 453 R HN -0.025 nan 8.270 nan 0.000 0.500 454 c N 1.375 119.987 118.600 0.020 0.000 2.534 454 c HA 0.409 4.978 4.570 -0.002 0.000 0.309 454 c C 0.052 174.255 174.090 0.189 0.000 1.072 454 c CA -0.680 55.660 56.329 0.019 0.000 1.441 454 c CB 1.158 43.703 42.510 0.058 0.000 1.906 454 c HN 0.495 nan 8.230 nan 0.000 0.429 455 Q N 0.168 120.063 119.800 0.157 0.000 2.164 455 Q HA 0.218 4.557 4.340 -0.002 0.000 0.226 455 Q C -0.743 175.425 176.000 0.280 0.000 0.813 455 Q CA 0.171 56.123 55.803 0.248 0.000 0.978 455 Q CB 1.268 30.136 28.738 0.216 0.000 1.149 455 Q HN 0.786 nan 8.270 nan 0.000 0.489 456 Y N 0.331 120.659 120.300 0.047 0.000 2.326 456 Y HA 0.426 4.975 4.550 -0.002 0.000 0.329 456 Y C -1.358 174.493 175.900 -0.081 0.000 0.973 456 Y CA -0.973 57.169 58.100 0.070 0.000 1.162 456 Y CB 0.929 39.444 38.460 0.092 0.000 1.147 456 Y HN -0.094 nan 8.280 nan 0.000 0.456 457 Y N 1.694 121.979 120.300 -0.025 0.000 2.605 457 Y HA 0.696 5.245 4.550 -0.002 0.000 0.343 457 Y C -0.469 175.478 175.900 0.079 0.000 1.036 457 Y CA -0.835 57.270 58.100 0.007 0.000 1.065 457 Y CB 2.521 40.949 38.460 -0.055 0.000 1.288 457 Y HN 0.480 nan 8.280 nan 0.000 0.481 458 S N 0.491 116.376 115.700 0.310 0.000 2.533 458 S HA 0.919 5.388 4.470 -0.002 0.000 0.271 458 S C -1.485 173.263 174.600 0.247 0.000 1.143 458 S CA -0.806 57.574 58.200 0.300 0.000 0.891 458 S CB 1.508 64.958 63.200 0.417 0.000 1.105 458 S HN 0.984 nan 8.310 nan 0.000 0.468 459 A N 1.168 124.124 122.820 0.227 0.000 2.355 459 A HA 0.878 5.196 4.320 -0.002 0.000 0.324 459 A C -0.145 177.551 177.584 0.187 0.000 1.117 459 A CA -0.746 51.377 52.037 0.143 0.000 0.785 459 A CB 1.774 20.784 19.000 0.017 0.000 1.254 459 A HN 1.343 nan 8.150 nan 0.000 0.453 460 S N 2.044 117.834 115.700 0.149 0.000 2.516 460 S HA 0.590 5.059 4.470 -0.002 0.000 0.268 460 S C -0.848 173.963 174.600 0.352 0.000 1.251 460 S CA -0.457 57.929 58.200 0.311 0.000 1.153 460 S CB -0.798 62.606 63.200 0.342 0.000 1.009 460 S HN 0.395 nan 8.310 nan 0.000 0.479 461 F N 2.860 122.968 119.950 0.263 0.000 2.444 461 F HA 0.354 4.880 4.527 -0.002 0.000 0.331 461 F C 1.531 177.092 175.800 -0.398 0.000 1.167 461 F CA 0.058 58.076 58.000 0.029 0.000 1.262 461 F CB 0.883 39.816 39.000 -0.112 0.000 1.196 461 F HN 0.592 nan 8.300 nan 0.000 0.583 462 S N 0.818 116.048 115.700 -0.784 0.000 2.694 462 S HA 0.376 4.845 4.470 -0.002 0.000 0.278 462 S C -0.276 174.052 174.600 -0.454 0.000 1.152 462 S CA -1.095 56.163 58.200 -1.570 0.000 1.010 462 S CB 0.389 62.449 63.200 -1.900 0.000 1.104 462 S HN 0.630 nan 8.310 nan 0.000 0.547 463 N N 1.169 119.723 118.700 -0.243 0.000 2.479 463 N HA 0.096 4.835 4.740 -0.002 0.000 0.257 463 N C -0.020 175.465 175.510 -0.041 0.000 1.232 463 N CA -0.230 52.790 53.050 -0.051 0.000 0.920 463 N CB 0.189 38.691 38.487 0.025 0.000 1.105 463 N HN 0.528 nan 8.380 nan 0.000 0.444 464 K N 0.342 120.735 120.400 -0.012 0.000 3.596 464 K HA -0.295 4.024 4.320 -0.002 0.000 0.295 464 K C 0.121 176.687 176.600 -0.057 0.000 1.230 464 K CA 1.116 57.397 56.287 -0.011 0.000 1.029 464 K CB -1.641 30.870 32.500 0.018 0.000 1.303 464 K HN 0.971 nan 8.250 nan 0.000 0.442 465 A N -0.100 122.670 122.820 -0.084 0.000 3.002 465 A HA -0.271 4.048 4.320 -0.002 0.000 0.272 465 A C 1.012 178.571 177.584 -0.043 0.000 1.421 465 A CA 1.929 53.910 52.037 -0.092 0.000 0.766 465 A CB -1.778 16.975 19.000 -0.411 0.000 1.034 465 A HN 0.494 nan 8.150 nan 0.000 0.541 466 K N -1.866 118.482 120.400 -0.087 0.000 2.314 466 K HA 0.275 4.594 4.320 -0.002 0.000 0.198 466 K C 0.088 176.317 176.600 -0.620 0.000 1.045 466 K CA 1.101 57.223 56.287 -0.275 0.000 0.988 466 K CB 0.276 32.638 32.500 -0.229 0.000 0.783 466 K HN 0.705 nan 8.250 nan 0.000 0.484 467 Y N -0.696 119.637 120.300 0.054 0.000 2.644 467 Y HA 0.355 4.904 4.550 -0.002 0.000 0.338 467 Y C -1.055 174.934 175.900 0.149 0.000 1.119 467 Y CA -1.614 56.562 58.100 0.127 0.000 1.060 467 Y CB 1.718 40.239 38.460 0.102 0.000 1.294 467 Y HN -0.030 nan 8.280 nan 0.000 0.472 468 Y N -1.126 119.286 120.300 0.187 0.000 2.465 468 Y HA 0.389 4.938 4.550 -0.002 0.000 0.323 468 Y C -1.404 174.552 175.900 0.093 0.000 1.191 468 Y CA -1.506 56.549 58.100 -0.075 0.000 1.082 468 Y CB 0.991 38.862 38.460 -0.981 0.000 1.334 468 Y HN 0.637 nan 8.280 nan 0.000 0.449 469 Q N 3.548 123.468 119.800 0.200 0.000 2.235 469 Q HA 0.662 5.001 4.340 -0.002 0.000 0.250 469 Q C -1.772 174.255 176.000 0.044 0.000 0.909 469 Q CA -0.769 55.085 55.803 0.084 0.000 0.910 469 Q CB 1.440 30.233 28.738 0.093 0.000 1.223 469 Q HN 0.956 nan 8.270 nan 0.000 0.432 470 L N 3.692 124.914 121.223 -0.002 0.000 2.341 470 L HA 0.566 4.905 4.340 -0.002 0.000 0.278 470 L C -0.583 176.289 176.870 0.003 0.000 1.005 470 L CA -0.608 54.250 54.840 0.031 0.000 0.818 470 L CB 1.871 43.889 42.059 -0.069 0.000 1.259 470 L HN 0.641 nan 8.230 nan 0.000 0.418 471 R N 2.237 122.694 120.500 -0.072 0.000 2.409 471 R HA 0.389 4.728 4.340 -0.002 0.000 0.313 471 R C -1.174 174.503 176.300 -1.038 0.000 0.953 471 R CA -0.472 55.280 56.100 -0.580 0.000 0.849 471 R CB 1.797 31.884 30.300 -0.354 0.000 1.171 471 R HN 0.571 nan 8.270 nan 0.000 0.458 472 c N 4.695 122.531 118.600 -1.273 0.000 2.273 472 c HA 0.475 5.044 4.570 -0.002 0.000 0.328 472 c C 0.520 173.969 174.090 -1.067 0.000 1.275 472 c CA -0.520 55.054 56.329 -1.257 0.000 1.704 472 c CB -0.658 41.290 42.510 -0.937 0.000 2.326 472 c HN 0.986 nan 8.230 nan 0.000 0.517 473 F N 3.966 123.769 119.950 -0.245 0.000 2.720 473 F HA 0.452 4.978 4.527 -0.002 0.000 0.301 473 F C 1.506 177.291 175.800 -0.025 0.000 1.103 473 F CA 0.651 58.595 58.000 -0.093 0.000 1.291 473 F CB 0.397 39.369 39.000 -0.048 0.000 1.086 473 F HN 0.915 nan 8.300 nan 0.000 0.592 474 G N -0.146 108.686 108.800 0.053 0.000 2.320 474 G HA2 0.167 4.126 3.960 -0.002 0.000 0.296 474 G HA3 0.167 4.126 3.960 -0.002 0.000 0.296 474 G C -2.535 172.392 174.900 0.045 0.000 1.306 474 G CA -0.611 44.531 45.100 0.071 0.000 0.836 474 G HN -0.336 nan 8.290 nan 0.000 0.517 475 P HA 0.138 nan 4.420 nan 0.000 0.237 475 P C 1.071 178.366 177.300 -0.009 0.000 1.178 475 P CA 1.171 64.310 63.100 0.065 0.000 0.766 475 P CB 0.369 32.105 31.700 0.059 0.000 0.876 476 G N 0.213 108.952 108.800 -0.102 0.000 2.511 476 G HA2 0.458 4.417 3.960 -0.002 0.000 0.316 476 G HA3 0.458 4.417 3.960 -0.002 0.000 0.316 476 G C -0.111 174.547 174.900 -0.404 0.000 1.210 476 G CA -0.808 44.134 45.100 -0.263 0.000 0.969 476 G HN 0.001 nan 8.290 nan 0.000 0.492 477 L N 0.469 121.331 121.223 -0.603 0.000 2.558 477 L HA 0.009 4.348 4.340 -0.002 0.000 0.301 477 L C -1.906 174.846 176.870 -0.197 0.000 1.267 477 L CA -0.722 53.821 54.840 -0.495 0.000 0.854 477 L CB -0.081 41.788 42.059 -0.317 0.000 1.103 477 L HN 0.254 nan 8.230 nan 0.000 0.522 478 P HA 0.235 nan 4.420 nan 0.000 0.275 478 P C -0.965 176.202 177.300 -0.221 0.000 1.228 478 P CA -0.308 62.697 63.100 -0.158 0.000 0.786 478 P CB 0.948 32.665 31.700 0.028 0.000 0.927 479 L N 4.203 125.147 121.223 -0.465 0.000 2.406 479 L HA 0.477 4.816 4.340 -0.002 0.000 0.272 479 L C -1.706 174.876 176.870 -0.479 0.000 0.980 479 L CA -0.606 54.048 54.840 -0.310 0.000 0.831 479 L CB 0.812 42.753 42.059 -0.197 0.000 1.253 479 L HN 0.233 nan 8.230 nan 0.000 0.406 480 Y N 2.617 122.846 120.300 -0.119 0.000 2.341 480 Y HA 0.766 5.315 4.550 -0.002 0.000 0.337 480 Y C 0.595 176.413 175.900 -0.136 0.000 1.014 480 Y CA -0.528 57.502 58.100 -0.117 0.000 1.111 480 Y CB 2.041 40.457 38.460 -0.073 0.000 1.194 480 Y HN 0.657 nan 8.280 nan 0.000 0.462 481 T N 1.021 115.597 114.554 0.037 0.000 2.896 481 T HA 0.688 5.037 4.350 -0.002 0.000 0.297 481 T C -1.385 173.368 174.700 0.088 0.000 1.108 481 T CA -0.923 61.202 62.100 0.042 0.000 1.004 481 T CB 1.561 70.528 68.868 0.165 0.000 1.159 481 T HN 0.619 nan 8.240 nan 0.000 0.499 482 L N 1.406 122.663 121.223 0.056 0.000 2.325 482 L HA 0.726 5.065 4.340 -0.002 0.000 0.278 482 L C -0.767 176.142 176.870 0.065 0.000 1.023 482 L CA -0.654 54.235 54.840 0.081 0.000 0.811 482 L CB 1.456 43.538 42.059 0.039 0.000 1.249 482 L HN 0.883 nan 8.230 nan 0.000 0.431 483 H N 0.610 119.488 119.070 -0.320 0.000 3.048 483 H HA 0.575 5.130 4.556 -0.002 0.000 0.296 483 H C -1.255 173.980 175.328 -0.154 0.000 1.508 483 H CA -0.616 55.176 56.048 -0.426 0.000 1.250 483 H CB 1.909 31.022 29.762 -1.082 0.000 1.896 483 H HN 0.381 nan 8.280 nan 0.000 0.604 484 S N -0.848 114.913 115.700 0.101 0.000 2.571 484 S HA 0.318 4.787 4.470 -0.002 0.000 0.284 484 S C 0.248 175.030 174.600 0.304 0.000 1.128 484 S CA -0.518 57.792 58.200 0.183 0.000 0.970 484 S CB 1.220 64.525 63.200 0.175 0.000 1.039 484 S HN 0.544 nan 8.310 nan 0.000 0.485 485 S N 2.548 118.379 115.700 0.218 0.000 2.428 485 S HA -0.074 4.395 4.470 -0.002 0.000 0.230 485 S C 1.959 176.673 174.600 0.190 0.000 1.014 485 S CA 1.410 59.786 58.200 0.294 0.000 0.957 485 S CB -0.199 63.129 63.200 0.214 0.000 0.784 485 S HN 0.854 nan 8.310 nan 0.000 0.499 486 S N 2.215 117.971 115.700 0.093 0.000 2.303 486 S HA -0.038 4.431 4.470 -0.002 0.000 0.207 486 S C 1.943 176.597 174.600 0.089 0.000 1.025 486 S CA 0.981 59.236 58.200 0.092 0.000 0.953 486 S CB -0.885 62.347 63.200 0.054 0.000 0.932 486 S HN 0.529 nan 8.310 nan 0.000 0.472 487 S N 1.094 116.844 115.700 0.083 0.000 2.603 487 S HA 0.078 4.547 4.470 -0.002 0.000 0.220 487 S C 0.485 175.129 174.600 0.074 0.000 0.967 487 S CA 0.633 58.875 58.200 0.070 0.000 0.920 487 S CB -0.828 62.411 63.200 0.065 0.000 0.773 487 S HN 0.505 nan 8.310 nan 0.000 0.529 488 D N 0.550 121.025 120.400 0.125 0.000 2.990 488 D HA -0.195 4.443 4.640 -0.002 0.000 0.209 488 D C 0.100 176.463 176.300 0.104 0.000 1.136 488 D CA 1.481 55.587 54.000 0.176 0.000 0.973 488 D CB -1.045 39.824 40.800 0.115 0.000 1.100 488 D HN 0.599 nan 8.370 nan 0.000 0.386 489 K N 0.705 121.120 120.400 0.026 0.000 2.339 489 K HA 0.045 4.363 4.320 -0.002 0.000 0.260 489 K C 0.785 177.239 176.600 -0.244 0.000 0.989 489 K CA 0.412 56.659 56.287 -0.066 0.000 0.888 489 K CB 0.327 32.809 32.500 -0.031 0.000 0.983 489 K HN 0.081 nan 8.250 nan 0.000 0.515 490 E N 2.911 122.915 120.200 -0.327 0.000 2.597 490 E HA 0.017 4.365 4.350 -0.002 0.000 0.235 490 E C 0.946 177.385 176.600 -0.267 0.000 1.155 490 E CA -0.211 55.857 56.400 -0.553 0.000 1.199 490 E CB 0.002 29.417 29.700 -0.475 0.000 1.409 490 E HN 0.452 nan 8.360 nan 0.000 0.453 491 L N 1.321 122.441 121.223 -0.172 0.000 2.166 491 L HA -0.295 4.044 4.340 -0.002 0.000 0.228 491 L C 1.214 178.047 176.870 -0.062 0.000 1.101 491 L CA 2.171 56.975 54.840 -0.060 0.000 0.821 491 L CB -1.504 40.558 42.059 0.005 0.000 0.908 491 L HN 0.583 nan 8.230 nan 0.000 0.447 492 R N -3.306 117.139 120.500 -0.092 0.000 2.835 492 R HA 0.596 4.935 4.340 -0.002 0.000 0.271 492 R C -1.446 174.790 176.300 -0.107 0.000 1.013 492 R CA -0.950 55.103 56.100 -0.079 0.000 0.876 492 R CB 1.547 31.820 30.300 -0.044 0.000 1.348 492 R HN -0.254 nan 8.270 nan 0.000 0.453 493 V N 1.891 121.739 119.914 -0.109 0.000 2.459 493 V HA 0.312 4.431 4.120 -0.002 0.000 0.295 493 V C 0.900 176.854 176.094 -0.233 0.000 1.029 493 V CA -0.708 61.512 62.300 -0.134 0.000 0.874 493 V CB 1.561 33.327 31.823 -0.094 0.000 0.985 493 V HN 0.642 nan 8.190 nan 0.000 0.438 494 L N 2.023 123.023 121.223 -0.372 0.000 2.298 494 L HA 0.409 4.748 4.340 -0.002 0.000 0.209 494 L C 0.602 177.095 176.870 -0.629 0.000 1.084 494 L CA 0.555 54.899 54.840 -0.827 0.000 0.816 494 L CB 0.216 41.396 42.059 -1.465 0.000 0.967 494 L HN 0.699 nan 8.230 nan 0.000 0.460 495 E N 0.086 120.128 120.200 -0.264 0.000 2.388 495 E HA 0.113 4.462 4.350 -0.002 0.000 0.289 495 E C -1.280 175.352 176.600 0.053 0.000 0.944 495 E CA -0.290 56.081 56.400 -0.048 0.000 0.792 495 E CB 1.356 31.085 29.700 0.048 0.000 1.239 495 E HN 0.179 nan 8.360 nan 0.000 0.412 496 D N 2.435 122.855 120.400 0.033 0.000 2.514 496 D HA 0.194 4.833 4.640 -0.002 0.000 0.225 496 D C -0.132 176.185 176.300 0.028 0.000 1.159 496 D CA -0.117 53.893 54.000 0.018 0.000 0.823 496 D CB 0.137 40.929 40.800 -0.013 0.000 1.097 496 D HN 0.431 nan 8.370 nan 0.000 0.519 497 N N 0.244 118.978 118.700 0.057 0.000 2.776 497 N HA -0.220 4.518 4.740 -0.002 0.000 0.250 497 N C 1.014 176.543 175.510 0.031 0.000 1.112 497 N CA 0.926 54.013 53.050 0.062 0.000 0.733 497 N CB -1.494 37.041 38.487 0.080 0.000 1.097 497 N HN 0.453 nan 8.380 nan 0.000 0.558 498 S N -0.936 114.775 115.700 0.018 0.000 2.420 498 S HA -0.166 4.302 4.470 -0.002 0.000 0.237 498 S C 2.087 176.700 174.600 0.021 0.000 1.023 498 S CA 1.306 59.512 58.200 0.009 0.000 0.991 498 S CB -0.206 62.998 63.200 0.006 0.000 0.792 498 S HN 0.553 nan 8.310 nan 0.000 0.488 499 A N 2.456 125.298 122.820 0.037 0.000 1.841 499 A HA -0.010 4.309 4.320 -0.002 0.000 0.216 499 A C 2.261 179.885 177.584 0.066 0.000 1.199 499 A CA 1.766 53.834 52.037 0.052 0.000 0.621 499 A CB -1.197 17.838 19.000 0.060 0.000 0.835 499 A HN 0.561 nan 8.150 nan 0.000 0.445 500 L N 0.298 121.570 121.223 0.082 0.000 2.079 500 L HA -0.199 4.140 4.340 -0.002 0.000 0.210 500 L C 1.955 178.844 176.870 0.032 0.000 1.081 500 L CA 2.870 57.769 54.840 0.097 0.000 0.752 500 L CB -0.750 41.390 42.059 0.135 0.000 0.896 500 L HN 0.561 nan 8.230 nan 0.000 0.433 501 D N -0.444 119.958 120.400 0.003 0.000 2.087 501 D HA -0.248 4.391 4.640 -0.002 0.000 0.192 501 D C 2.054 178.343 176.300 -0.018 0.000 0.993 501 D CA 1.865 55.847 54.000 -0.030 0.000 0.828 501 D CB -0.055 40.722 40.800 -0.038 0.000 0.968 501 D HN 0.384 nan 8.370 nan 0.000 0.448 502 K N -0.449 119.954 120.400 0.005 0.000 2.211 502 K HA -0.162 4.157 4.320 -0.002 0.000 0.204 502 K C 2.182 178.796 176.600 0.024 0.000 1.047 502 K CA 1.019 57.314 56.287 0.014 0.000 0.935 502 K CB -0.213 32.303 32.500 0.026 0.000 0.728 502 K HN 0.335 nan 8.250 nan 0.000 0.452 503 M N 0.462 120.082 119.600 0.034 0.000 2.334 503 M HA -0.011 4.468 4.480 -0.002 0.000 0.266 503 M C 1.681 177.940 176.300 -0.068 0.000 1.082 503 M CA 1.115 56.451 55.300 0.060 0.000 1.141 503 M CB 0.315 33.012 32.600 0.163 0.000 1.380 503 M HN 0.075 nan 8.290 nan 0.000 0.440 504 L N 0.050 121.190 121.223 -0.138 0.000 2.341 504 L HA -0.101 4.237 4.340 -0.002 0.000 0.214 504 L C 2.480 179.279 176.870 -0.118 0.000 1.115 504 L CA 0.610 55.310 54.840 -0.233 0.000 0.820 504 L CB -0.411 41.535 42.059 -0.188 0.000 0.944 504 L HN 0.459 nan 8.230 nan 0.000 0.452 505 Q N -0.789 118.976 119.800 -0.059 0.000 2.364 505 Q HA -0.226 4.113 4.340 -0.002 0.000 0.207 505 Q C 1.314 177.313 176.000 -0.002 0.000 0.970 505 Q CA 1.321 57.110 55.803 -0.025 0.000 0.888 505 Q CB -0.340 28.391 28.738 -0.012 0.000 0.951 505 Q HN 0.359 nan 8.270 nan 0.000 0.469 506 D N 1.554 121.954 120.400 -0.000 0.000 2.363 506 D HA -0.004 4.635 4.640 -0.002 0.000 0.226 506 D C 0.046 176.373 176.300 0.045 0.000 1.020 506 D CA 0.334 54.355 54.000 0.034 0.000 0.892 506 D CB 0.571 41.407 40.800 0.060 0.000 0.900 506 D HN 0.237 nan 8.370 nan 0.000 0.531 507 V N -2.549 117.372 119.914 0.012 0.000 3.078 507 V HA 0.435 4.554 4.120 -0.002 0.000 0.311 507 V C -0.637 175.471 176.094 0.022 0.000 1.138 507 V CA -1.105 61.217 62.300 0.037 0.000 1.007 507 V CB 1.788 33.638 31.823 0.046 0.000 1.045 507 V HN -0.228 nan 8.190 nan 0.000 0.432 508 Q N 3.235 123.053 119.800 0.030 0.000 2.534 508 Q HA 0.395 4.734 4.340 -0.002 0.000 0.223 508 Q C -0.358 175.632 176.000 -0.017 0.000 1.239 508 Q CA -0.269 55.523 55.803 -0.019 0.000 0.936 508 Q CB 0.552 29.236 28.738 -0.091 0.000 1.457 508 Q HN 0.606 nan 8.270 nan 0.000 0.547 509 M N 3.126 122.716 119.600 -0.017 0.000 2.228 509 M HA 0.340 4.819 4.480 -0.002 0.000 0.326 509 M C -1.884 174.389 176.300 -0.046 0.000 1.122 509 M CA -2.256 53.028 55.300 -0.027 0.000 1.161 509 M CB -0.254 32.330 32.600 -0.027 0.000 1.437 509 M HN 0.323 nan 8.290 nan 0.000 0.465 510 P HA 0.372 nan 4.420 nan 0.000 0.306 510 P C -1.152 176.107 177.300 -0.070 0.000 1.309 510 P CA -0.426 62.619 63.100 -0.091 0.000 0.759 510 P CB 0.723 32.346 31.700 -0.128 0.000 1.314 511 S N -1.944 113.696 115.700 -0.099 0.000 2.542 511 S HA 0.530 4.999 4.470 -0.002 0.000 0.293 511 S C -0.698 173.846 174.600 -0.094 0.000 1.089 511 S CA -0.856 57.300 58.200 -0.074 0.000 0.961 511 S CB 1.866 65.028 63.200 -0.064 0.000 1.062 511 S HN 0.423 nan 8.310 nan 0.000 0.483 512 K N 1.603 121.975 120.400 -0.046 0.000 2.389 512 K HA 0.342 4.661 4.320 -0.002 0.000 0.261 512 K C -0.979 175.607 176.600 -0.023 0.000 1.014 512 K CA -0.403 55.862 56.287 -0.036 0.000 0.920 512 K CB 0.733 33.234 32.500 0.001 0.000 1.149 512 K HN 0.730 nan 8.250 nan 0.000 0.444 513 K N 5.082 125.456 120.400 -0.043 0.000 2.235 513 K HA 0.289 4.608 4.320 -0.002 0.000 0.266 513 K C -1.152 175.428 176.600 -0.034 0.000 0.980 513 K CA -0.687 55.584 56.287 -0.027 0.000 0.849 513 K CB 0.747 33.222 32.500 -0.042 0.000 1.098 513 K HN 0.360 nan 8.250 nan 0.000 0.445 514 L N 3.368 124.585 121.223 -0.010 0.000 2.334 514 L HA 0.538 4.877 4.340 -0.002 0.000 0.275 514 L C 0.026 176.840 176.870 -0.094 0.000 1.036 514 L CA 0.068 54.901 54.840 -0.012 0.000 0.807 514 L CB 1.587 43.745 42.059 0.165 0.000 1.231 514 L HN 0.858 nan 8.230 nan 0.000 0.438 515 D N -0.208 119.979 120.400 -0.355 0.000 3.435 515 D HA 0.655 5.293 4.640 -0.002 0.000 0.352 515 D C -1.584 174.405 176.300 -0.518 0.000 1.460 515 D CA -0.049 53.710 54.000 -0.402 0.000 0.935 515 D CB 1.569 42.177 40.800 -0.320 0.000 1.468 515 D HN 0.150 nan 8.370 nan 0.000 0.573 516 V N 0.086 119.895 119.914 -0.174 0.000 3.181 516 V HA 0.740 4.859 4.120 -0.002 0.000 0.307 516 V C -0.623 175.682 176.094 0.352 0.000 1.310 516 V CA -0.836 61.481 62.300 0.028 0.000 1.067 516 V CB 2.414 33.969 31.823 -0.446 0.000 1.081 516 V HN 0.695 nan 8.190 nan 0.000 0.453 517 I N -1.409 119.303 120.570 0.237 0.000 3.021 517 I HA 0.665 4.834 4.170 -0.002 0.000 0.305 517 I C -1.682 174.486 176.117 0.085 0.000 1.434 517 I CA -0.738 60.632 61.300 0.116 0.000 0.969 517 I CB 2.546 40.538 38.000 -0.013 0.000 1.328 517 I HN 0.504 nan 8.210 nan 0.000 0.486 518 N N 2.568 121.272 118.700 0.007 0.000 2.399 518 N HA 0.833 5.572 4.740 -0.002 0.000 0.295 518 N C -1.568 173.920 175.510 -0.037 0.000 1.048 518 N CA -0.387 52.657 53.050 -0.010 0.000 0.886 518 N CB 2.004 40.465 38.487 -0.045 0.000 1.185 518 N HN 0.527 nan 8.380 nan 0.000 0.487 519 L N 2.853 124.063 121.223 -0.022 0.000 2.482 519 L HA 0.365 4.704 4.340 -0.002 0.000 0.269 519 L C -0.695 175.934 176.870 -0.402 0.000 0.967 519 L CA -0.767 53.890 54.840 -0.304 0.000 0.851 519 L CB 1.397 43.307 42.059 -0.248 0.000 1.242 519 L HN 0.734 nan 8.230 nan 0.000 0.404 520 H N 1.165 120.288 119.070 0.088 0.000 2.903 520 H HA -0.177 4.378 4.556 -0.002 0.000 0.285 520 H C 1.211 176.547 175.328 0.013 0.000 1.231 520 H CA 0.865 56.940 56.048 0.046 0.000 1.135 520 H CB -1.662 28.137 29.762 0.061 0.000 1.328 520 H HN 1.107 nan 8.280 nan 0.000 0.388 521 G N -0.794 108.024 108.800 0.031 0.000 2.168 521 G HA2 -0.319 3.640 3.960 -0.002 0.000 0.263 521 G HA3 -0.319 3.640 3.960 -0.002 0.000 0.263 521 G C 0.362 175.227 174.900 -0.060 0.000 0.977 521 G CA 0.904 45.999 45.100 -0.008 0.000 0.659 521 G HN 0.744 nan 8.290 nan 0.000 0.533 522 T N 0.527 115.010 114.554 -0.119 0.000 2.888 522 T HA 0.570 4.919 4.350 -0.002 0.000 0.284 522 T C 0.170 174.612 174.700 -0.431 0.000 1.017 522 T CA -0.287 61.620 62.100 -0.323 0.000 1.022 522 T CB 1.503 70.038 68.868 -0.554 0.000 1.013 522 T HN 0.543 nan 8.240 nan 0.000 0.465 523 K N 2.383 122.546 120.400 -0.395 0.000 2.292 523 K HA 0.513 4.832 4.320 -0.002 0.000 0.270 523 K C -1.239 175.190 176.600 -0.286 0.000 1.062 523 K CA -0.512 55.612 56.287 -0.272 0.000 0.916 523 K CB 0.278 32.654 32.500 -0.208 0.000 1.166 523 K HN 0.360 nan 8.250 nan 0.000 0.458 524 F N 1.964 121.994 119.950 0.134 0.000 2.422 524 F HA 0.389 4.915 4.527 -0.002 0.000 0.333 524 F C 0.058 176.023 175.800 0.275 0.000 1.095 524 F CA -0.927 57.201 58.000 0.213 0.000 1.038 524 F CB 0.843 39.956 39.000 0.189 0.000 1.156 524 F HN 0.465 nan 8.300 nan 0.000 0.483 525 W N 2.359 123.862 121.300 0.339 0.000 2.141 525 W HA 0.456 5.115 4.660 -0.002 0.000 0.354 525 W C -0.579 176.235 176.519 0.492 0.000 1.297 525 W CA -0.302 57.234 57.345 0.319 0.000 1.380 525 W CB 0.331 29.896 29.460 0.175 0.000 1.168 525 W HN 0.435 nan 8.180 nan 0.000 0.639 526 Y N -1.005 119.682 120.300 0.645 0.000 2.689 526 Y HA 0.596 5.145 4.550 -0.002 0.000 0.333 526 Y C -1.167 174.993 175.900 0.434 0.000 1.208 526 Y CA -1.831 56.646 58.100 0.629 0.000 1.055 526 Y CB 0.893 39.883 38.460 0.883 0.000 1.304 526 Y HN 0.586 nan 8.280 nan 0.000 0.455 527 Q N 1.846 121.946 119.800 0.501 0.000 2.511 527 Q HA 0.823 5.161 4.340 -0.002 0.000 0.289 527 Q C -1.951 174.178 176.000 0.215 0.000 1.021 527 Q CA -1.238 54.698 55.803 0.221 0.000 0.785 527 Q CB 3.409 32.239 28.738 0.153 0.000 1.472 527 Q HN 0.840 nan 8.270 nan 0.000 0.411 528 M N 1.639 121.284 119.600 0.075 0.000 2.371 528 M HA 0.464 4.943 4.480 -0.002 0.000 0.287 528 M C -1.394 174.850 176.300 -0.093 0.000 1.149 528 M CA -0.877 54.405 55.300 -0.030 0.000 0.929 528 M CB 2.422 34.971 32.600 -0.085 0.000 1.683 528 M HN 0.569 nan 8.290 nan 0.000 0.470 529 I N 4.326 124.826 120.570 -0.117 0.000 2.315 529 I HA 0.454 4.623 4.170 -0.002 0.000 0.291 529 I C -0.553 175.410 176.117 -0.256 0.000 1.006 529 I CA -0.379 60.831 61.300 -0.150 0.000 1.265 529 I CB 0.684 38.610 38.000 -0.124 0.000 1.387 529 I HN 0.644 nan 8.210 nan 0.000 0.475 530 L N 7.952 128.979 121.223 -0.327 0.000 2.317 530 L HA 0.492 4.831 4.340 -0.002 0.000 0.281 530 L C -2.239 174.410 176.870 -0.369 0.000 1.024 530 L CA -1.825 52.700 54.840 -0.525 0.000 0.810 530 L CB 1.479 43.056 42.059 -0.803 0.000 1.240 530 L HN 0.269 nan 8.230 nan 0.000 0.427 531 P HA 0.077 nan 4.420 nan 0.000 0.271 531 P C -2.527 174.701 177.300 -0.118 0.000 1.238 531 P CA -0.763 62.199 63.100 -0.230 0.000 0.794 531 P CB -0.157 31.388 31.700 -0.258 0.000 0.959 532 P HA 0.069 nan 4.420 nan 0.000 0.272 532 P C -0.547 176.739 177.300 -0.024 0.000 1.223 532 P CA 0.187 63.207 63.100 -0.134 0.000 0.784 532 P CB -0.210 31.299 31.700 -0.318 0.000 0.923 533 H N -1.006 118.110 119.070 0.077 0.000 2.655 533 H HA -0.225 4.330 4.556 -0.002 0.000 0.313 533 H C -0.115 175.301 175.328 0.146 0.000 1.141 533 H CA -0.663 55.438 56.048 0.088 0.000 1.138 533 H CB -1.853 27.949 29.762 0.067 0.000 1.446 533 H HN 0.331 nan 8.280 nan 0.000 0.415 534 F N 2.903 122.898 119.950 0.075 0.000 2.292 534 F HA -0.147 4.379 4.527 -0.002 0.000 0.369 534 F C 1.125 177.005 175.800 0.134 0.000 1.045 534 F CA 0.641 58.655 58.000 0.022 0.000 0.937 534 F CB -0.197 38.744 39.000 -0.098 0.000 0.852 534 F HN 0.211 nan 8.300 nan 0.000 0.521 535 D N 3.430 123.915 120.400 0.143 0.000 2.633 535 D HA -0.321 4.318 4.640 -0.002 0.000 0.206 535 D C 1.762 177.888 176.300 -0.290 0.000 1.055 535 D CA 3.611 57.588 54.000 -0.039 0.000 0.903 535 D CB 0.110 40.913 40.800 0.005 0.000 1.115 535 D HN 0.740 nan 8.370 nan 0.000 0.479 536 K N -4.259 115.838 120.400 -0.504 0.000 2.909 536 K HA -0.014 4.305 4.320 -0.002 0.000 0.281 536 K C 1.048 177.480 176.600 -0.279 0.000 2.963 536 K CA 0.727 56.752 56.287 -0.436 0.000 1.574 536 K CB -0.491 31.888 32.500 -0.201 0.000 3.180 536 K HN 0.145 nan 8.250 nan 0.000 0.307 537 S N 0.962 116.596 115.700 -0.111 0.000 2.666 537 S HA 0.193 4.662 4.470 -0.002 0.000 0.239 537 S C 0.068 174.659 174.600 -0.015 0.000 1.031 537 S CA -0.100 58.113 58.200 0.023 0.000 1.015 537 S CB 0.133 63.341 63.200 0.013 0.000 0.981 537 S HN 0.314 nan 8.310 nan 0.000 0.547 538 K N 2.624 122.953 120.400 -0.118 0.000 2.472 538 K HA 0.029 4.348 4.320 -0.002 0.000 0.280 538 K C -0.674 175.763 176.600 -0.271 0.000 1.028 538 K CA 0.258 56.404 56.287 -0.234 0.000 1.045 538 K CB 0.316 32.593 32.500 -0.372 0.000 0.902 538 K HN 0.203 nan 8.250 nan 0.000 0.478 539 K N 4.051 124.326 120.400 -0.208 0.000 2.339 539 K HA 0.084 4.403 4.320 -0.002 0.000 0.286 539 K C -0.875 175.599 176.600 -0.210 0.000 1.050 539 K CA -0.048 56.169 56.287 -0.117 0.000 0.956 539 K CB 0.445 32.894 32.500 -0.085 0.000 0.990 539 K HN 0.396 nan 8.250 nan 0.000 0.475 540 Y N 3.049 123.384 120.300 0.059 0.000 2.528 540 Y HA 0.304 4.852 4.550 -0.002 0.000 0.335 540 Y C -1.946 173.892 175.900 -0.104 0.000 1.093 540 Y CA -2.569 55.536 58.100 0.009 0.000 1.134 540 Y CB 1.184 39.706 38.460 0.104 0.000 1.253 540 Y HN 0.503 nan 8.280 nan 0.000 0.478 541 P HA 0.165 nan 4.420 nan 0.000 0.282 541 P C -1.068 176.093 177.300 -0.232 0.000 1.249 541 P CA -0.191 62.648 63.100 -0.435 0.000 0.806 541 P CB 1.731 32.807 31.700 -1.039 0.000 0.984 542 L N 3.573 124.706 121.223 -0.150 0.000 2.322 542 L HA 0.439 4.777 4.340 -0.002 0.000 0.279 542 L C -0.585 176.455 176.870 0.283 0.000 1.036 542 L CA -1.158 53.722 54.840 0.066 0.000 0.807 542 L CB 1.547 43.646 42.059 0.067 0.000 1.226 542 L HN 0.265 nan 8.230 nan 0.000 0.433 543 L N 6.198 127.583 121.223 0.270 0.000 2.345 543 L HA 0.437 4.776 4.340 -0.002 0.000 0.274 543 L C -0.660 176.410 176.870 0.334 0.000 0.999 543 L CA -0.269 54.783 54.840 0.353 0.000 0.849 543 L CB 1.110 43.323 42.059 0.256 0.000 1.220 543 L HN 0.305 nan 8.230 nan 0.000 0.422 544 I N 3.885 124.702 120.570 0.411 0.000 2.379 544 I HA 0.230 4.399 4.170 -0.002 0.000 0.290 544 I C 0.411 176.757 176.117 0.382 0.000 1.063 544 I CA 0.032 61.565 61.300 0.387 0.000 1.351 544 I CB 0.848 39.118 38.000 0.450 0.000 1.410 544 I HN 0.710 nan 8.210 nan 0.000 0.505 545 E N 6.486 126.890 120.200 0.340 0.000 2.109 545 E HA 0.463 4.811 4.350 -0.002 0.000 0.278 545 E C -1.465 175.214 176.600 0.131 0.000 0.954 545 E CA -0.452 56.091 56.400 0.238 0.000 0.779 545 E CB 1.739 31.656 29.700 0.363 0.000 1.093 545 E HN 0.422 nan 8.360 nan 0.000 0.401 546 V N 5.669 125.590 119.914 0.011 0.000 2.680 546 V HA 0.374 4.493 4.120 -0.002 0.000 0.309 546 V C -1.236 174.933 176.094 0.125 0.000 1.052 546 V CA -0.353 62.007 62.300 0.099 0.000 0.908 546 V CB 1.553 33.439 31.823 0.106 0.000 1.001 546 V HN 0.912 nan 8.190 nan 0.000 0.431 547 Y N 5.215 125.558 120.300 0.071 0.000 2.972 547 Y HA 0.603 5.152 4.550 -0.002 0.000 0.211 547 Y C 1.530 177.518 175.900 0.147 0.000 0.969 547 Y CA 1.385 59.543 58.100 0.097 0.000 1.574 547 Y CB -0.072 38.428 38.460 0.066 0.000 1.364 547 Y HN 1.185 nan 8.280 nan 0.000 0.467 548 A N 0.688 123.529 122.820 0.035 0.000 2.860 548 A HA -0.107 4.212 4.320 -0.002 0.000 0.267 548 A C 0.762 178.105 177.584 -0.401 0.000 1.421 548 A CA 0.905 52.903 52.037 -0.065 0.000 0.831 548 A CB -2.335 16.704 19.000 0.064 0.000 1.041 548 A HN 0.959 nan 8.150 nan 0.000 0.623 549 G N -0.603 107.661 108.800 -0.894 0.000 2.504 549 G HA2 0.597 4.556 3.960 -0.002 0.000 0.288 549 G HA3 0.597 4.556 3.960 -0.002 0.000 0.288 549 G C -2.078 172.419 174.900 -0.672 0.000 1.182 549 G CA -1.138 43.002 45.100 -1.600 0.000 0.894 549 G HN 0.326 nan 8.290 nan 0.000 0.521 550 P HA -0.030 nan 4.420 nan 0.000 0.262 550 P C 0.746 177.850 177.300 -0.327 0.000 1.182 550 P CA 0.329 63.135 63.100 -0.491 0.000 0.761 550 P CB 0.680 31.785 31.700 -0.991 0.000 0.795 551 C N 2.404 121.577 119.300 -0.210 0.000 4.358 551 C HA -0.155 4.304 4.460 -0.002 0.000 0.287 551 C C 1.081 176.012 174.990 -0.098 0.000 1.414 551 C CA 1.128 59.981 59.018 -0.276 0.000 1.949 551 C CB -2.659 24.759 27.740 -0.537 0.000 1.274 551 C HN 0.820 nan 8.230 nan 0.000 0.793 552 S N -0.202 115.539 115.700 0.069 0.000 2.669 552 S HA 0.585 5.054 4.470 -0.002 0.000 0.270 552 S C -0.515 174.245 174.600 0.266 0.000 1.225 552 S CA 0.278 58.645 58.200 0.279 0.000 0.991 552 S CB 1.588 65.075 63.200 0.478 0.000 0.987 552 S HN 0.867 nan 8.310 nan 0.000 0.552 553 Q N -0.147 119.825 119.800 0.285 0.000 2.961 553 Q HA 0.304 4.643 4.340 -0.002 0.000 0.223 553 Q C -0.189 175.907 176.000 0.161 0.000 0.859 553 Q CA -0.597 55.352 55.803 0.245 0.000 0.771 553 Q CB 0.723 29.649 28.738 0.313 0.000 1.389 553 Q HN 0.606 nan 8.270 nan 0.000 0.460 554 K N 0.684 121.183 120.400 0.165 0.000 2.116 554 K HA 0.097 4.416 4.320 -0.002 0.000 0.203 554 K C 0.315 176.990 176.600 0.126 0.000 1.052 554 K CA 0.598 56.971 56.287 0.143 0.000 0.952 554 K CB 0.376 32.992 32.500 0.193 0.000 0.729 554 K HN 0.388 nan 8.250 nan 0.000 0.446 555 V N 4.078 124.081 119.914 0.150 0.000 2.427 555 V HA 0.083 4.202 4.120 -0.002 0.000 0.268 555 V C -0.224 175.916 176.094 0.077 0.000 1.046 555 V CA -0.425 61.962 62.300 0.145 0.000 0.970 555 V CB 0.597 32.553 31.823 0.222 0.000 1.001 555 V HN 0.384 nan 8.190 nan 0.000 0.476 556 D N 2.093 122.519 120.400 0.043 0.000 2.725 556 D HA 0.161 4.800 4.640 -0.002 0.000 0.292 556 D C 0.366 176.663 176.300 -0.004 0.000 1.288 556 D CA -0.034 53.974 54.000 0.013 0.000 0.784 556 D CB 1.144 41.928 40.800 -0.026 0.000 1.308 556 D HN 0.320 nan 8.370 nan 0.000 0.429 557 T N -1.808 112.763 114.554 0.028 0.000 3.129 557 T HA 0.228 4.577 4.350 -0.002 0.000 0.251 557 T C 0.903 175.594 174.700 -0.014 0.000 1.117 557 T CA -0.182 61.946 62.100 0.046 0.000 1.034 557 T CB -0.464 68.482 68.868 0.129 0.000 0.968 557 T HN 0.349 nan 8.240 nan 0.000 0.526 558 V N 2.830 122.616 119.914 -0.214 0.000 2.694 558 V HA 0.134 4.253 4.120 -0.002 0.000 0.306 558 V C 0.255 176.345 176.094 -0.008 0.000 1.054 558 V CA -0.528 61.635 62.300 -0.229 0.000 1.161 558 V CB -0.473 31.079 31.823 -0.453 0.000 0.916 558 V HN 0.490 nan 8.190 nan 0.000 0.490 559 F N 6.334 126.250 119.950 -0.057 0.000 2.394 559 F HA 0.704 5.230 4.527 -0.002 0.000 0.340 559 F C 0.358 176.150 175.800 -0.015 0.000 1.105 559 F CA -0.729 57.253 58.000 -0.029 0.000 1.124 559 F CB 0.726 39.723 39.000 -0.005 0.000 1.145 559 F HN 0.460 nan 8.300 nan 0.000 0.505 560 R N 6.103 126.056 120.500 -0.911 0.000 2.536 560 R HA 0.358 4.697 4.340 -0.002 0.000 0.269 560 R C -1.987 173.917 176.300 -0.661 0.000 1.113 560 R CA -1.005 54.691 56.100 -0.674 0.000 0.948 560 R CB 1.413 31.543 30.300 -0.285 0.000 1.237 560 R HN 0.404 nan 8.270 nan 0.000 0.441 561 L N 3.174 124.109 121.223 -0.479 0.000 2.302 561 L HA 0.340 4.679 4.340 -0.002 0.000 0.285 561 L C 0.614 177.458 176.870 -0.042 0.000 1.090 561 L CA 0.191 54.841 54.840 -0.317 0.000 0.866 561 L CB -0.150 41.895 42.059 -0.022 0.000 1.244 561 L HN 0.789 nan 8.230 nan 0.000 0.435 562 S N 1.488 117.081 115.700 -0.178 0.000 2.806 562 S HA 0.368 4.837 4.470 -0.002 0.000 0.315 562 S C 0.660 174.952 174.600 -0.513 0.000 1.127 562 S CA -0.681 57.380 58.200 -0.232 0.000 0.918 562 S CB 1.145 64.293 63.200 -0.086 0.000 1.240 562 S HN 0.520 nan 8.310 nan 0.000 0.552 563 W N 1.281 122.010 121.300 -0.953 0.000 2.342 563 W HA 0.010 4.669 4.660 -0.002 0.000 0.297 563 W C 2.388 178.792 176.519 -0.191 0.000 1.213 563 W CA 2.192 59.106 57.345 -0.718 0.000 1.251 563 W CB -1.018 28.144 29.460 -0.497 0.000 1.136 563 W HN 0.840 nan 8.180 nan 0.000 0.526 564 A N -0.715 122.022 122.820 -0.139 0.000 1.972 564 A HA -0.191 4.128 4.320 -0.002 0.000 0.219 564 A C 1.923 179.371 177.584 -0.226 0.000 1.169 564 A CA 2.272 54.174 52.037 -0.226 0.000 0.635 564 A CB -1.294 17.681 19.000 -0.041 0.000 0.810 564 A HN 0.266 nan 8.150 nan 0.000 0.446 565 T N -1.430 113.015 114.554 -0.181 0.000 2.849 565 T HA -0.169 4.180 4.350 -0.002 0.000 0.270 565 T C 1.685 176.386 174.700 0.001 0.000 1.066 565 T CA 1.766 63.751 62.100 -0.192 0.000 1.130 565 T CB -0.343 68.260 68.868 -0.440 0.000 0.864 565 T HN 0.744 nan 8.240 nan 0.000 0.481 566 Y N 1.219 121.509 120.300 -0.017 0.000 2.301 566 Y HA 0.246 4.795 4.550 -0.002 0.000 0.295 566 Y C 1.794 177.631 175.900 -0.106 0.000 1.119 566 Y CA 0.343 58.486 58.100 0.072 0.000 1.162 566 Y CB -0.648 37.872 38.460 0.100 0.000 1.046 566 Y HN 0.080 nan 8.280 nan 0.000 0.538 567 L N 0.679 121.393 121.223 -0.848 0.000 1.970 567 L HA -0.226 4.113 4.340 -0.002 0.000 0.212 567 L C 2.855 179.434 176.870 -0.484 0.000 1.071 567 L CA 1.571 55.870 54.840 -0.902 0.000 0.751 567 L CB -1.288 40.288 42.059 -0.805 0.000 0.889 567 L HN 0.368 nan 8.230 nan 0.000 0.432 568 A N -0.405 122.216 122.820 -0.332 0.000 1.829 568 A HA -0.303 4.016 4.320 -0.002 0.000 0.216 568 A C 2.524 180.002 177.584 -0.177 0.000 1.207 568 A CA 2.400 54.296 52.037 -0.236 0.000 0.622 568 A CB -1.268 17.602 19.000 -0.217 0.000 0.846 568 A HN 0.403 nan 8.150 nan 0.000 0.447 569 S N -1.385 114.244 115.700 -0.118 0.000 2.378 569 S HA -0.231 4.237 4.470 -0.002 0.000 0.229 569 S C 1.871 176.469 174.600 -0.004 0.000 1.052 569 S CA 2.789 60.970 58.200 -0.031 0.000 1.084 569 S CB -0.657 62.594 63.200 0.084 0.000 0.950 569 S HN 0.662 nan 8.310 nan 0.000 0.440 570 T N 0.544 115.093 114.554 -0.007 0.000 3.039 570 T HA 0.222 4.571 4.350 -0.002 0.000 0.250 570 T C 1.349 176.018 174.700 -0.052 0.000 1.052 570 T CA 0.425 62.549 62.100 0.041 0.000 1.125 570 T CB 0.011 69.036 68.868 0.262 0.000 0.908 570 T HN 0.350 nan 8.240 nan 0.000 0.473 571 E N 1.201 121.271 120.200 -0.217 0.000 2.481 571 E HA 0.186 4.535 4.350 -0.002 0.000 0.198 571 E C -0.202 176.355 176.600 -0.072 0.000 1.027 571 E CA -0.103 56.197 56.400 -0.165 0.000 0.900 571 E CB -0.140 29.377 29.700 -0.306 0.000 0.993 571 E HN 0.432 nan 8.360 nan 0.000 0.482 572 N N 0.831 119.487 118.700 -0.074 0.000 2.696 572 N HA -0.181 4.558 4.740 -0.002 0.000 0.256 572 N C -1.093 174.425 175.510 0.014 0.000 1.031 572 N CA 0.418 53.467 53.050 -0.002 0.000 0.730 572 N CB -1.049 37.535 38.487 0.160 0.000 0.894 572 N HN 0.214 nan 8.380 nan 0.000 0.544 573 I N 0.749 121.261 120.570 -0.097 0.000 2.509 573 I HA 0.395 4.564 4.170 -0.002 0.000 0.293 573 I C 0.268 176.302 176.117 -0.138 0.000 1.020 573 I CA -0.896 60.368 61.300 -0.059 0.000 1.088 573 I CB 1.637 39.622 38.000 -0.025 0.000 1.267 573 I HN 0.044 nan 8.210 nan 0.000 0.430 574 I N 6.418 126.925 120.570 -0.106 0.000 2.352 574 I HA 0.192 4.360 4.170 -0.002 0.000 0.290 574 I C -0.396 175.686 176.117 -0.058 0.000 1.036 574 I CA -0.508 60.703 61.300 -0.148 0.000 1.336 574 I CB 1.227 39.154 38.000 -0.122 0.000 1.407 574 I HN 0.171 nan 8.210 nan 0.000 0.497 575 V N 6.891 126.761 119.914 -0.073 0.000 2.350 575 V HA 0.606 4.725 4.120 -0.002 0.000 0.276 575 V C 0.435 176.541 176.094 0.020 0.000 1.028 575 V CA -0.410 61.899 62.300 0.014 0.000 0.860 575 V CB 1.017 32.843 31.823 0.006 0.000 0.990 575 V HN 0.833 nan 8.190 nan 0.000 0.453 576 A N 4.145 126.998 122.820 0.055 0.000 2.322 576 A HA 0.970 5.289 4.320 -0.002 0.000 0.327 576 A C -0.077 177.623 177.584 0.194 0.000 1.134 576 A CA -0.456 51.596 52.037 0.025 0.000 0.831 576 A CB 1.878 20.725 19.000 -0.255 0.000 1.288 576 A HN 0.686 nan 8.150 nan 0.000 0.472 577 S N -1.140 114.731 115.700 0.284 0.000 2.720 577 S HA 0.870 5.339 4.470 -0.002 0.000 0.287 577 S C -1.736 173.234 174.600 0.617 0.000 1.168 577 S CA -0.255 58.175 58.200 0.383 0.000 0.832 577 S CB 1.533 64.906 63.200 0.289 0.000 1.166 577 S HN 1.274 nan 8.310 nan 0.000 0.493 578 F N 1.610 121.771 119.950 0.353 0.000 2.688 578 F HA 0.291 4.817 4.527 -0.002 0.000 0.332 578 F C -2.280 173.684 175.800 0.274 0.000 1.131 578 F CA -0.630 57.600 58.000 0.383 0.000 1.113 578 F CB 1.090 40.314 39.000 0.374 0.000 1.359 578 F HN 0.437 nan 8.300 nan 0.000 0.551 579 D N 5.205 125.358 120.400 -0.412 0.000 2.443 579 D HA 0.443 5.082 4.640 -0.002 0.000 0.221 579 D C 0.426 176.296 176.300 -0.717 0.000 1.097 579 D CA 0.107 53.906 54.000 -0.336 0.000 0.865 579 D CB 1.629 42.423 40.800 -0.010 0.000 1.034 579 D HN 0.755 nan 8.370 nan 0.000 0.511 580 G N 1.377 109.717 108.800 -0.767 0.000 2.945 580 G HA2 0.223 4.182 3.960 -0.002 0.000 0.156 580 G HA3 0.223 4.182 3.960 -0.002 0.000 0.156 580 G C 0.153 174.739 174.900 -0.522 0.000 1.375 580 G CA -0.660 43.878 45.100 -0.938 0.000 1.039 580 G HN 0.268 nan 8.290 nan 0.000 0.586 581 R N -0.107 120.140 120.500 -0.422 0.000 2.489 581 R HA 0.390 4.729 4.340 -0.002 0.000 0.287 581 R C 1.112 177.430 176.300 0.029 0.000 1.053 581 R CA 1.308 57.376 56.100 -0.053 0.000 1.036 581 R CB 0.601 30.947 30.300 0.077 0.000 0.966 581 R HN 0.970 nan 8.270 nan 0.000 0.432 582 G N 1.430 110.268 108.800 0.063 0.000 2.308 582 G HA2 -0.341 3.618 3.960 -0.002 0.000 0.221 582 G HA3 -0.341 3.618 3.960 -0.002 0.000 0.221 582 G C 0.260 175.150 174.900 -0.017 0.000 1.032 582 G CA 0.107 45.228 45.100 0.035 0.000 0.623 582 G HN 0.737 nan 8.290 nan 0.000 0.506 583 S N 0.639 116.326 115.700 -0.022 0.000 2.587 583 S HA 0.586 5.055 4.470 -0.002 0.000 0.260 583 S C 0.797 175.382 174.600 -0.026 0.000 1.353 583 S CA 1.031 59.224 58.200 -0.013 0.000 0.995 583 S CB 1.426 64.634 63.200 0.012 0.000 0.912 583 S HN 1.895 nan 8.310 nan 0.000 0.568 584 G N -1.043 107.713 108.800 -0.072 0.000 3.013 584 G HA2 0.554 4.513 3.960 -0.002 0.000 0.278 584 G HA3 0.554 4.513 3.960 -0.002 0.000 0.278 584 G C -1.179 173.633 174.900 -0.146 0.000 1.353 584 G CA -0.877 44.070 45.100 -0.255 0.000 1.043 584 G HN 0.996 nan 8.290 nan 0.000 0.523 585 Y N -2.153 118.140 120.300 -0.013 0.000 4.786 585 Y HA -0.201 4.348 4.550 -0.002 0.000 0.243 585 Y C 1.307 177.201 175.900 -0.010 0.000 1.027 585 Y CA 0.896 58.990 58.100 -0.010 0.000 2.052 585 Y CB -2.170 36.309 38.460 0.031 0.000 1.578 585 Y HN 0.544 nan 8.280 nan 0.000 0.655 586 Q N 0.045 119.859 119.800 0.024 0.000 2.084 586 Q HA 0.514 4.853 4.340 -0.002 0.000 0.230 586 Q C 0.845 176.686 176.000 -0.264 0.000 0.806 586 Q CA 0.168 55.980 55.803 0.016 0.000 1.083 586 Q CB 1.690 30.499 28.738 0.118 0.000 1.208 586 Q HN 0.575 nan 8.270 nan 0.000 0.462 587 G N 1.083 109.589 108.800 -0.489 0.000 2.719 587 G HA2 -0.172 3.787 3.960 -0.002 0.000 0.686 587 G HA3 -0.172 3.787 3.960 -0.002 0.000 0.686 587 G C -0.360 174.224 174.900 -0.526 0.000 1.201 587 G CA -0.622 43.986 45.100 -0.820 0.000 0.768 587 G HN 0.171 nan 8.290 nan 0.000 0.629 588 D N 0.507 120.563 120.400 -0.573 0.000 2.389 588 D HA -0.094 4.545 4.640 -0.002 0.000 0.221 588 D C 2.055 178.053 176.300 -0.503 0.000 0.974 588 D CA 1.282 54.875 54.000 -0.678 0.000 0.923 588 D CB 0.131 40.401 40.800 -0.884 0.000 0.892 588 D HN 0.727 nan 8.370 nan 0.000 0.518 589 K N 1.007 121.199 120.400 -0.346 0.000 1.973 589 K HA -0.128 4.191 4.320 -0.002 0.000 0.212 589 K C 2.086 178.636 176.600 -0.083 0.000 1.047 589 K CA 0.932 57.110 56.287 -0.181 0.000 0.937 589 K CB -0.121 32.304 32.500 -0.125 0.000 0.721 589 K HN 0.043 nan 8.250 nan 0.000 0.440 590 I N 0.790 121.329 120.570 -0.050 0.000 2.133 590 I HA -0.261 3.908 4.170 -0.002 0.000 0.238 590 I C 2.832 178.983 176.117 0.056 0.000 1.074 590 I CA 1.261 62.612 61.300 0.086 0.000 1.342 590 I CB -0.280 37.819 38.000 0.165 0.000 1.053 590 I HN 0.380 nan 8.210 nan 0.000 0.404 591 M N 0.446 120.027 119.600 -0.031 0.000 2.088 591 M HA -0.307 4.172 4.480 -0.002 0.000 0.256 591 M C 2.059 178.435 176.300 0.127 0.000 1.071 591 M CA 2.086 57.393 55.300 0.011 0.000 1.097 591 M CB -0.498 32.058 32.600 -0.072 0.000 1.315 591 M HN 0.283 nan 8.290 nan 0.000 0.406 592 H N -0.666 118.290 119.070 -0.191 0.000 2.553 592 H HA 0.102 4.657 4.556 -0.002 0.000 0.269 592 H C 1.825 177.152 175.328 -0.001 0.000 1.011 592 H CA -0.011 55.923 56.048 -0.190 0.000 1.150 592 H CB -0.017 29.543 29.762 -0.337 0.000 1.339 592 H HN 0.550 nan 8.280 nan 0.000 0.604 593 A N 1.812 124.740 122.820 0.180 0.000 1.908 593 A HA -0.164 4.155 4.320 -0.002 0.000 0.218 593 A C 2.143 179.889 177.584 0.271 0.000 1.181 593 A CA 1.310 53.497 52.037 0.250 0.000 0.627 593 A CB -0.635 18.529 19.000 0.274 0.000 0.818 593 A HN 0.568 nan 8.150 nan 0.000 0.445 594 I N -2.539 118.136 120.570 0.175 0.000 3.749 594 I HA 0.110 4.278 4.170 -0.002 0.000 0.314 594 I C 0.367 176.480 176.117 -0.006 0.000 1.278 594 I CA -0.273 61.033 61.300 0.010 0.000 1.158 594 I CB -0.717 37.282 38.000 -0.001 0.000 1.018 594 I HN 0.224 nan 8.210 nan 0.000 0.435 595 N N 3.270 122.027 118.700 0.095 0.000 2.434 595 N HA -0.030 4.709 4.740 -0.002 0.000 0.268 595 N C 0.092 175.580 175.510 -0.037 0.000 1.256 595 N CA 0.269 53.404 53.050 0.143 0.000 0.914 595 N CB 0.333 38.902 38.487 0.137 0.000 1.088 595 N HN 0.450 nan 8.380 nan 0.000 0.478 596 R N 1.122 121.572 120.500 -0.083 0.000 3.872 596 R HA -0.170 4.169 4.340 -0.002 0.000 0.341 596 R C -0.317 175.800 176.300 -0.305 0.000 1.172 596 R CA 1.231 57.224 56.100 -0.179 0.000 0.901 596 R CB -1.544 28.669 30.300 -0.145 0.000 1.422 596 R HN 0.843 nan 8.270 nan 0.000 0.523 597 R N -0.493 119.836 120.500 -0.286 0.000 2.470 597 R HA 0.227 4.566 4.340 -0.002 0.000 0.296 597 R C -0.443 175.743 176.300 -0.189 0.000 1.187 597 R CA -0.696 55.242 56.100 -0.271 0.000 1.310 597 R CB -0.067 29.942 30.300 -0.486 0.000 1.369 597 R HN -0.029 nan 8.270 nan 0.000 0.733 598 L N 0.867 121.975 121.223 -0.191 0.000 2.499 598 L HA 0.215 4.554 4.340 -0.002 0.000 0.281 598 L C 1.366 178.311 176.870 0.124 0.000 1.234 598 L CA 1.673 56.458 54.840 -0.090 0.000 0.839 598 L CB 0.439 42.297 42.059 -0.335 0.000 1.104 598 L HN 0.811 nan 8.230 nan 0.000 0.500 599 G N 0.419 109.379 108.800 0.267 0.000 2.176 599 G HA2 -0.322 3.637 3.960 -0.002 0.000 0.253 599 G HA3 -0.322 3.637 3.960 -0.002 0.000 0.253 599 G C 0.630 175.579 174.900 0.082 0.000 0.979 599 G CA 0.657 45.903 45.100 0.244 0.000 0.641 599 G HN 0.773 nan 8.290 nan 0.000 0.530 600 T N -2.201 112.365 114.554 0.020 0.000 3.523 600 T HA 0.424 4.773 4.350 -0.002 0.000 0.216 600 T C 1.825 176.599 174.700 0.123 0.000 0.922 600 T CA 1.248 63.336 62.100 -0.020 0.000 1.558 600 T CB -0.309 68.409 68.868 -0.250 0.000 1.424 600 T HN 0.098 nan 8.240 nan 0.000 0.452 601 F N 3.451 123.438 119.950 0.062 0.000 2.069 601 F HA 0.040 4.566 4.527 -0.002 0.000 0.298 601 F C 2.861 178.697 175.800 0.059 0.000 1.113 601 F CA 1.094 59.126 58.000 0.053 0.000 1.214 601 F CB -1.131 37.888 39.000 0.031 0.000 0.978 601 F HN 0.454 nan 8.300 nan 0.000 0.474 602 E N 1.087 121.436 120.200 0.249 0.000 2.160 602 E HA -0.156 4.193 4.350 -0.002 0.000 0.195 602 E C 2.077 178.771 176.600 0.158 0.000 0.991 602 E CA 1.659 58.155 56.400 0.160 0.000 0.810 602 E CB -1.106 28.669 29.700 0.125 0.000 0.742 602 E HN 0.299 nan 8.360 nan 0.000 0.466 603 V N 1.490 121.488 119.914 0.141 0.000 2.255 603 V HA -0.204 3.915 4.120 -0.002 0.000 0.243 603 V C 2.430 178.591 176.094 0.112 0.000 1.038 603 V CA 2.066 64.416 62.300 0.085 0.000 1.008 603 V CB -0.679 31.153 31.823 0.015 0.000 0.645 603 V HN 0.183 nan 8.190 nan 0.000 0.449 604 E N 0.336 120.623 120.200 0.145 0.000 2.070 604 E HA -0.266 4.083 4.350 -0.002 0.000 0.197 604 E C 1.929 178.610 176.600 0.135 0.000 1.004 604 E CA 1.709 58.198 56.400 0.148 0.000 0.805 604 E CB -0.231 29.591 29.700 0.205 0.000 0.744 604 E HN 0.564 nan 8.360 nan 0.000 0.451 605 D N 0.094 120.594 120.400 0.166 0.000 2.263 605 D HA -0.136 4.503 4.640 -0.002 0.000 0.208 605 D C 1.883 178.270 176.300 0.144 0.000 0.971 605 D CA 0.672 54.763 54.000 0.152 0.000 0.867 605 D CB -0.056 40.848 40.800 0.173 0.000 0.929 605 D HN 0.132 nan 8.370 nan 0.000 0.492 606 Q N 0.135 120.043 119.800 0.179 0.000 2.049 606 Q HA -0.001 4.338 4.340 -0.002 0.000 0.198 606 Q C 2.572 178.648 176.000 0.126 0.000 0.971 606 Q CA 0.482 56.403 55.803 0.197 0.000 0.833 606 Q CB -0.213 28.637 28.738 0.186 0.000 0.896 606 Q HN 0.406 nan 8.270 nan 0.000 0.434 607 I N 0.680 121.334 120.570 0.139 0.000 2.226 607 I HA -0.266 3.903 4.170 -0.002 0.000 0.245 607 I C 2.461 178.562 176.117 -0.027 0.000 1.100 607 I CA 1.201 62.593 61.300 0.153 0.000 1.374 607 I CB -0.192 37.895 38.000 0.145 0.000 1.057 607 I HN 0.277 nan 8.210 nan 0.000 0.413 608 E N 1.039 121.185 120.200 -0.089 0.000 2.028 608 E HA -0.219 4.130 4.350 -0.002 0.000 0.191 608 E C 2.317 178.679 176.600 -0.396 0.000 0.988 608 E CA 1.205 57.492 56.400 -0.190 0.000 0.799 608 E CB -0.091 29.520 29.700 -0.148 0.000 0.755 608 E HN 0.456 nan 8.360 nan 0.000 0.447 609 A N 0.082 122.539 122.820 -0.605 0.000 2.024 609 A HA -0.184 4.135 4.320 -0.002 0.000 0.220 609 A C 2.275 179.171 177.584 -1.146 0.000 1.164 609 A CA 2.002 53.350 52.037 -1.148 0.000 0.643 609 A CB -0.721 17.104 19.000 -1.959 0.000 0.806 609 A HN 0.298 nan 8.150 nan 0.000 0.451 610 T N -1.337 112.929 114.554 -0.481 0.000 2.896 610 T HA -0.039 4.310 4.350 -0.002 0.000 0.263 610 T C 2.049 176.611 174.700 -0.229 0.000 1.050 610 T CA 1.154 63.164 62.100 -0.150 0.000 1.140 610 T CB -0.135 68.778 68.868 0.075 0.000 0.877 610 T HN 0.531 nan 8.240 nan 0.000 0.457 611 R N 1.029 121.366 120.500 -0.273 0.000 2.094 611 R HA -0.126 4.213 4.340 -0.002 0.000 0.239 611 R C 2.613 178.770 176.300 -0.239 0.000 1.137 611 R CA 1.717 57.678 56.100 -0.230 0.000 0.943 611 R CB -0.128 30.053 30.300 -0.197 0.000 0.850 611 R HN 0.485 nan 8.270 nan 0.000 0.433 612 Q N -0.984 118.613 119.800 -0.339 0.000 2.119 612 Q HA -0.156 4.183 4.340 -0.002 0.000 0.201 612 Q C 1.928 177.794 176.000 -0.223 0.000 0.972 612 Q CA 1.213 56.833 55.803 -0.306 0.000 0.847 612 Q CB -0.102 28.395 28.738 -0.401 0.000 0.903 612 Q HN 0.286 nan 8.270 nan 0.000 0.433 613 F N 1.022 120.813 119.950 -0.265 0.000 2.202 613 F HA -0.184 4.342 4.527 -0.002 0.000 0.301 613 F C 2.611 178.231 175.800 -0.301 0.000 1.082 613 F CA 1.441 59.279 58.000 -0.269 0.000 1.313 613 F CB -0.819 38.055 39.000 -0.210 0.000 1.024 613 F HN 0.091 nan 8.300 nan 0.000 0.495 614 S N 0.046 115.700 115.700 -0.077 0.000 2.528 614 S HA -0.071 4.398 4.470 -0.002 0.000 0.219 614 S C 1.756 176.254 174.600 -0.171 0.000 0.985 614 S CA 0.320 58.431 58.200 -0.149 0.000 0.914 614 S CB -0.526 62.590 63.200 -0.140 0.000 0.776 614 S HN 0.601 nan 8.310 nan 0.000 0.526 615 K N 0.819 121.125 120.400 -0.158 0.000 2.228 615 K HA 0.113 4.432 4.320 -0.002 0.000 0.202 615 K C 0.657 177.170 176.600 -0.146 0.000 1.051 615 K CA 0.278 56.486 56.287 -0.132 0.000 0.960 615 K CB -0.445 31.988 32.500 -0.112 0.000 0.743 615 K HN 0.354 nan 8.250 nan 0.000 0.458 616 M N 1.853 121.322 119.600 -0.218 0.000 2.245 616 M HA 0.063 4.541 4.480 -0.002 0.000 0.344 616 M C 0.944 177.011 176.300 -0.388 0.000 1.170 616 M CA 0.170 55.289 55.300 -0.303 0.000 1.135 616 M CB 1.041 33.297 32.600 -0.573 0.000 1.574 616 M HN 0.297 nan 8.290 nan 0.000 0.452 617 G N 2.425 111.122 108.800 -0.172 0.000 3.332 617 G HA2 0.205 4.164 3.960 -0.002 0.000 0.242 617 G HA3 0.205 4.164 3.960 -0.002 0.000 0.242 617 G C 0.237 175.144 174.900 0.012 0.000 1.276 617 G CA -0.218 44.833 45.100 -0.082 0.000 0.988 617 G HN 0.808 nan 8.290 nan 0.000 0.517 618 F N -1.833 118.179 119.950 0.103 0.000 2.698 618 F HA 0.593 5.119 4.527 -0.002 0.000 0.304 618 F C -0.443 175.483 175.800 0.209 0.000 1.108 618 F CA -1.321 56.782 58.000 0.171 0.000 1.263 618 F CB 0.263 39.458 39.000 0.324 0.000 1.013 618 F HN -0.150 nan 8.300 nan 0.000 0.532 619 V N 1.772 121.637 119.914 -0.081 0.000 2.407 619 V HA 0.200 4.319 4.120 -0.002 0.000 0.291 619 V C -0.705 175.348 176.094 -0.069 0.000 1.018 619 V CA -0.779 61.493 62.300 -0.046 0.000 0.842 619 V CB 1.368 33.084 31.823 -0.177 0.000 0.996 619 V HN 0.146 nan 8.190 nan 0.000 0.426 620 D N 3.503 123.870 120.400 -0.054 0.000 2.363 620 D HA -0.013 4.625 4.640 -0.002 0.000 0.263 620 D C 1.052 177.283 176.300 -0.115 0.000 1.258 620 D CA -0.002 53.939 54.000 -0.099 0.000 0.907 620 D CB 1.264 41.985 40.800 -0.132 0.000 1.107 620 D HN 0.797 nan 8.370 nan 0.000 0.495 621 D N 2.297 122.634 120.400 -0.106 0.000 2.348 621 D HA -0.098 4.541 4.640 -0.002 0.000 0.216 621 D C 0.960 177.201 176.300 -0.098 0.000 0.970 621 D CA 0.691 54.625 54.000 -0.110 0.000 0.889 621 D CB 0.061 40.796 40.800 -0.108 0.000 0.912 621 D HN 0.306 nan 8.370 nan 0.000 0.524 622 K N -0.278 120.068 120.400 -0.089 0.000 2.444 622 K HA 0.195 4.514 4.320 -0.002 0.000 0.193 622 K C 0.203 176.768 176.600 -0.058 0.000 1.024 622 K CA 0.038 56.288 56.287 -0.062 0.000 1.077 622 K CB 0.413 32.881 32.500 -0.052 0.000 0.833 622 K HN 0.049 nan 8.250 nan 0.000 0.517 623 R N 1.207 121.628 120.500 -0.132 0.000 2.653 623 R HA 0.333 4.672 4.340 -0.002 0.000 0.269 623 R C -1.092 175.047 176.300 -0.268 0.000 1.603 623 R CA -0.140 55.811 56.100 -0.250 0.000 1.671 623 R CB 0.637 30.586 30.300 -0.585 0.000 1.300 623 R HN -0.005 nan 8.270 nan 0.000 0.668 624 I N 1.063 121.692 120.570 0.099 0.000 2.389 624 I HA 0.592 4.761 4.170 -0.002 0.000 0.288 624 I C 0.035 176.474 176.117 0.536 0.000 0.999 624 I CA -0.753 60.688 61.300 0.235 0.000 1.129 624 I CB 1.920 39.920 38.000 -0.001 0.000 1.288 624 I HN 0.305 nan 8.210 nan 0.000 0.444 625 A N 6.887 130.119 122.820 0.686 0.000 2.389 625 A HA 0.949 5.268 4.320 -0.002 0.000 0.293 625 A C -1.095 176.815 177.584 0.543 0.000 1.186 625 A CA -0.700 51.678 52.037 0.567 0.000 0.828 625 A CB 2.097 21.261 19.000 0.273 0.000 1.369 625 A HN 0.724 nan 8.150 nan 0.000 0.446 626 I N 0.246 121.023 120.570 0.346 0.000 2.680 626 I HA 0.582 4.751 4.170 -0.002 0.000 0.291 626 I C -1.928 174.402 176.117 0.354 0.000 1.244 626 I CA -0.516 60.925 61.300 0.235 0.000 1.042 626 I CB 1.434 39.276 38.000 -0.263 0.000 1.277 626 I HN 0.927 nan 8.210 nan 0.000 0.423 627 W N 7.242 128.656 121.300 0.191 0.000 3.031 627 W HA 0.914 5.573 4.660 -0.002 0.000 0.337 627 W C -1.228 175.426 176.519 0.224 0.000 1.187 627 W CA -1.190 56.283 57.345 0.213 0.000 1.166 627 W CB 1.245 30.884 29.460 0.299 0.000 1.437 627 W HN 0.773 nan 8.180 nan 0.000 0.551 628 G N 0.617 109.388 108.800 -0.049 0.000 2.646 628 G HA2 0.531 4.490 3.960 -0.002 0.000 0.291 628 G HA3 0.531 4.490 3.960 -0.002 0.000 0.291 628 G C -2.799 172.048 174.900 -0.087 0.000 1.445 628 G CA -0.678 44.249 45.100 -0.287 0.000 0.814 628 G HN 0.619 nan 8.290 nan 0.000 0.495 629 W N 0.708 121.873 121.300 -0.225 0.000 2.844 629 W HA 0.622 5.281 4.660 -0.002 0.000 0.340 629 W C 0.732 177.264 176.519 0.021 0.000 1.093 629 W CA 0.231 57.517 57.345 -0.097 0.000 1.212 629 W CB 1.901 31.292 29.460 -0.116 0.000 1.422 629 W HN 1.151 nan 8.180 nan 0.000 0.515 630 S N 2.020 117.978 115.700 0.429 0.000 4.059 630 S HA -0.432 4.037 4.470 -0.002 0.000 0.624 630 S C 1.124 175.857 174.600 0.220 0.000 2.019 630 S CA 1.851 60.279 58.200 0.379 0.000 4.197 630 S CB -1.798 61.728 63.200 0.542 0.000 0.215 630 S HN 0.770 nan 8.310 nan 0.000 0.609 631 Y N 2.275 122.637 120.300 0.104 0.000 2.193 631 Y HA -0.030 4.519 4.550 -0.002 0.000 0.285 631 Y C 2.364 178.263 175.900 -0.002 0.000 1.166 631 Y CA 2.585 60.672 58.100 -0.022 0.000 1.181 631 Y CB -1.066 37.218 38.460 -0.293 0.000 0.976 631 Y HN 0.522 nan 8.280 nan 0.000 0.520 632 G N -1.305 107.610 108.800 0.192 0.000 2.509 632 G HA2 -0.149 3.810 3.960 -0.002 0.000 0.218 632 G HA3 -0.149 3.810 3.960 -0.002 0.000 0.218 632 G C 1.819 176.767 174.900 0.080 0.000 1.124 632 G CA 0.666 45.849 45.100 0.137 0.000 0.776 632 G HN 0.585 nan 8.290 nan 0.000 0.547 633 G N -0.425 108.430 108.800 0.091 0.000 2.453 633 G HA2 -0.092 3.866 3.960 -0.002 0.000 0.215 633 G HA3 -0.092 3.866 3.960 -0.002 0.000 0.215 633 G C 1.487 176.426 174.900 0.065 0.000 1.147 633 G CA 0.803 45.938 45.100 0.058 0.000 0.802 633 G HN 0.366 nan 8.290 nan 0.000 0.535 634 Y N 1.624 121.860 120.300 -0.108 0.000 2.133 634 Y HA -0.111 4.438 4.550 -0.002 0.000 0.287 634 Y C 2.706 178.544 175.900 -0.104 0.000 1.134 634 Y CA 1.498 59.484 58.100 -0.190 0.000 1.133 634 Y CB -0.575 37.630 38.460 -0.425 0.000 0.987 634 Y HN 0.013 nan 8.280 nan 0.000 0.502 635 V N -0.068 119.708 119.914 -0.230 0.000 2.255 635 V HA -0.366 3.753 4.120 -0.002 0.000 0.247 635 V C 2.349 178.335 176.094 -0.179 0.000 1.051 635 V CA 2.591 64.756 62.300 -0.225 0.000 1.018 635 V CB -1.334 30.508 31.823 0.032 0.000 0.641 635 V HN 0.503 nan 8.190 nan 0.000 0.445 636 T N -0.201 114.306 114.554 -0.078 0.000 2.737 636 T HA -0.218 4.131 4.350 -0.002 0.000 0.269 636 T C 2.105 176.769 174.700 -0.060 0.000 1.040 636 T CA 2.023 64.090 62.100 -0.056 0.000 1.142 636 T CB -0.267 68.641 68.868 0.066 0.000 0.861 636 T HN 0.521 nan 8.240 nan 0.000 0.456 637 S N 0.684 116.374 115.700 -0.018 0.000 2.371 637 S HA 0.034 4.503 4.470 -0.002 0.000 0.224 637 S C 2.117 176.666 174.600 -0.085 0.000 1.029 637 S CA 0.783 59.011 58.200 0.046 0.000 0.978 637 S CB -0.220 63.043 63.200 0.104 0.000 0.833 637 S HN 0.292 nan 8.310 nan 0.000 0.466 638 M N 1.122 120.577 119.600 -0.243 0.000 2.117 638 M HA -0.023 4.456 4.480 -0.002 0.000 0.262 638 M C 2.207 178.384 176.300 -0.206 0.000 1.065 638 M CA 1.087 56.233 55.300 -0.257 0.000 1.114 638 M CB -1.530 30.807 32.600 -0.438 0.000 1.361 638 M HN 0.157 nan 8.290 nan 0.000 0.408 639 V N 0.619 120.402 119.914 -0.218 0.000 2.261 639 V HA -0.260 3.859 4.120 -0.002 0.000 0.246 639 V C 2.582 178.526 176.094 -0.249 0.000 1.047 639 V CA 1.465 63.645 62.300 -0.201 0.000 1.015 639 V CB -0.702 30.947 31.823 -0.289 0.000 0.642 639 V HN 0.400 nan 8.190 nan 0.000 0.446 640 L N 0.443 121.446 121.223 -0.366 0.000 2.079 640 L HA -0.124 4.215 4.340 -0.002 0.000 0.210 640 L C 2.359 178.792 176.870 -0.728 0.000 1.081 640 L CA 1.808 56.346 54.840 -0.504 0.000 0.752 640 L CB -1.026 40.653 42.059 -0.634 0.000 0.896 640 L HN 0.520 nan 8.230 nan 0.000 0.433 641 G N -1.267 107.061 108.800 -0.787 0.000 3.026 641 G HA2 0.133 4.092 3.960 -0.002 0.000 0.208 641 G HA3 0.133 4.092 3.960 -0.002 0.000 0.208 641 G C 1.543 176.315 174.900 -0.214 0.000 1.169 641 G CA 0.575 45.337 45.100 -0.564 0.000 0.788 641 G HN 0.426 nan 8.290 nan 0.000 0.533 642 A N -0.117 122.601 122.820 -0.170 0.000 1.930 642 A HA 0.444 4.763 4.320 -0.002 0.000 0.215 642 A C 2.091 179.650 177.584 -0.042 0.000 1.176 642 A CA 1.633 53.630 52.037 -0.068 0.000 0.632 642 A CB -0.312 18.671 19.000 -0.029 0.000 0.819 642 A HN 1.468 nan 8.150 nan 0.000 0.445 643 G N -0.879 107.891 108.800 -0.049 0.000 2.134 643 G HA2 -0.225 3.734 3.960 -0.002 0.000 0.209 643 G HA3 -0.225 3.734 3.960 -0.002 0.000 0.209 643 G C 1.080 175.982 174.900 0.002 0.000 0.993 643 G CA 1.101 46.187 45.100 -0.024 0.000 0.669 643 G HN 1.444 nan 8.290 nan 0.000 0.519 644 S N -0.218 115.498 115.700 0.026 0.000 2.440 644 S HA 0.236 4.705 4.470 -0.002 0.000 0.238 644 S C 2.719 177.320 174.600 0.002 0.000 1.010 644 S CA 1.914 60.134 58.200 0.033 0.000 0.972 644 S CB -0.400 62.859 63.200 0.097 0.000 0.774 644 S HN 2.448 nan 8.310 nan 0.000 0.501 645 G N -0.013 108.794 108.800 0.012 0.000 2.220 645 G HA2 -0.333 3.625 3.960 -0.002 0.000 0.269 645 G HA3 -0.333 3.625 3.960 -0.002 0.000 0.269 645 G C 0.867 175.736 174.900 -0.052 0.000 0.977 645 G CA 0.561 45.656 45.100 -0.009 0.000 0.634 645 G HN 0.781 nan 8.290 nan 0.000 0.539 646 V N -0.399 119.448 119.914 -0.112 0.000 2.453 646 V HA 0.217 4.336 4.120 -0.002 0.000 0.247 646 V C 1.335 177.156 176.094 -0.455 0.000 1.048 646 V CA 1.607 63.701 62.300 -0.343 0.000 1.049 646 V CB -0.416 31.073 31.823 -0.558 0.000 0.672 646 V HN 0.311 nan 8.190 nan 0.000 0.457 647 F N -0.093 119.875 119.950 0.030 0.000 2.421 647 F HA 0.402 4.928 4.527 -0.002 0.000 0.337 647 F C 1.106 176.947 175.800 0.069 0.000 1.105 647 F CA -0.449 57.592 58.000 0.067 0.000 1.049 647 F CB 1.484 40.526 39.000 0.070 0.000 1.139 647 F HN -0.250 nan 8.300 nan 0.000 0.479 648 K N 1.522 122.090 120.400 0.281 0.000 2.128 648 K HA 0.135 4.454 4.320 -0.002 0.000 0.202 648 K C -0.069 176.660 176.600 0.215 0.000 1.050 648 K CA 0.834 57.244 56.287 0.205 0.000 0.966 648 K CB 0.304 32.923 32.500 0.199 0.000 0.759 648 K HN 0.803 nan 8.250 nan 0.000 0.454 649 c N -2.498 116.257 118.600 0.260 0.000 3.323 649 c HA 0.926 5.495 4.570 -0.002 0.000 0.324 649 c C -0.222 174.069 174.090 0.336 0.000 1.428 649 c CA -0.560 55.933 56.329 0.272 0.000 1.368 649 c CB 1.084 43.660 42.510 0.111 0.000 1.731 649 c HN 0.379 nan 8.230 nan 0.000 0.455 650 G N -0.013 109.069 108.800 0.470 0.000 2.667 650 G HA2 0.666 4.625 3.960 -0.002 0.000 0.294 650 G HA3 0.666 4.625 3.960 -0.002 0.000 0.294 650 G C -1.921 173.249 174.900 0.452 0.000 1.467 650 G CA -0.662 44.701 45.100 0.438 0.000 0.852 650 G HN 0.974 nan 8.290 nan 0.000 0.521 651 I N 0.617 121.409 120.570 0.370 0.000 2.509 651 I HA 0.682 4.851 4.170 -0.002 0.000 0.293 651 I C 0.150 176.393 176.117 0.209 0.000 1.020 651 I CA -1.033 60.371 61.300 0.173 0.000 1.088 651 I CB 2.238 40.367 38.000 0.216 0.000 1.267 651 I HN 0.683 nan 8.210 nan 0.000 0.430 652 A N 5.978 128.801 122.820 0.005 0.000 2.343 652 A HA 0.790 5.109 4.320 -0.002 0.000 0.308 652 A C -1.048 176.443 177.584 -0.154 0.000 1.092 652 A CA -0.503 51.550 52.037 0.027 0.000 0.751 652 A CB 1.538 20.628 19.000 0.150 0.000 1.203 652 A HN 0.420 nan 8.150 nan 0.000 0.452 653 V N 1.925 121.694 119.914 -0.243 0.000 2.409 653 V HA 0.595 4.714 4.120 -0.002 0.000 0.291 653 V C 0.836 176.511 176.094 -0.698 0.000 1.020 653 V CA 0.301 62.236 62.300 -0.608 0.000 0.848 653 V CB 0.848 32.025 31.823 -1.076 0.000 0.990 653 V HN 2.256 nan 8.190 nan 0.000 0.430 654 A N 5.620 127.994 122.820 -0.744 0.000 2.466 654 A HA -0.100 4.219 4.320 -0.002 0.000 0.295 654 A C -1.870 175.504 177.584 -0.349 0.000 1.465 654 A CA 0.539 52.009 52.037 -0.945 0.000 0.744 654 A CB -1.454 17.196 19.000 -0.583 0.000 1.098 654 A HN 0.600 nan 8.150 nan 0.000 0.402 655 P HA 0.484 nan 4.420 nan 0.000 0.286 655 P C 0.242 177.483 177.300 -0.097 0.000 1.261 655 P CA -0.334 62.718 63.100 -0.080 0.000 0.821 655 P CB 1.615 33.304 31.700 -0.019 0.000 1.013 656 V N 2.330 122.090 119.914 -0.255 0.000 2.924 656 V HA 0.097 4.215 4.120 -0.002 0.000 0.305 656 V C 1.697 177.576 176.094 -0.358 0.000 1.073 656 V CA 1.121 63.121 62.300 -0.500 0.000 1.098 656 V CB 0.804 31.900 31.823 -1.211 0.000 1.000 656 V HN 0.880 nan 8.190 nan 0.000 0.484 657 S N 1.295 116.807 115.700 -0.313 0.000 2.679 657 S HA 0.304 4.773 4.470 -0.002 0.000 0.258 657 S C 0.125 174.586 174.600 -0.232 0.000 1.068 657 S CA -0.243 57.870 58.200 -0.145 0.000 1.115 657 S CB 0.244 63.420 63.200 -0.039 0.000 1.078 657 S HN 0.711 nan 8.310 nan 0.000 0.603 658 K N -0.209 119.939 120.400 -0.421 0.000 2.606 658 K HA 0.270 4.589 4.320 -0.002 0.000 0.259 658 K C -1.034 175.254 176.600 -0.520 0.000 1.001 658 K CA -0.617 55.386 56.287 -0.473 0.000 0.881 658 K CB 0.384 32.526 32.500 -0.596 0.000 1.288 658 K HN 0.114 nan 8.250 nan 0.000 0.452 659 W N 2.203 123.432 121.300 -0.120 0.000 2.350 659 W HA -0.136 4.523 4.660 -0.002 0.000 0.289 659 W C 1.463 178.083 176.519 0.169 0.000 1.215 659 W CA 0.945 58.311 57.345 0.035 0.000 1.236 659 W CB 0.113 29.580 29.460 0.012 0.000 1.130 659 W HN 0.788 nan 8.180 nan 0.000 0.541 660 E N -0.887 119.437 120.200 0.208 0.000 2.273 660 E HA -0.234 4.114 4.350 -0.002 0.000 0.198 660 E C 1.436 178.143 176.600 0.179 0.000 1.002 660 E CA 1.371 57.831 56.400 0.099 0.000 0.828 660 E CB -0.337 29.296 29.700 -0.112 0.000 0.747 660 E HN 0.377 nan 8.360 nan 0.000 0.491 661 Y N -1.947 118.418 120.300 0.109 0.000 2.523 661 Y HA 0.089 4.638 4.550 -0.002 0.000 0.279 661 Y C 0.611 176.569 175.900 0.096 0.000 1.139 661 Y CA -0.264 57.865 58.100 0.048 0.000 1.296 661 Y CB -0.443 37.989 38.460 -0.046 0.000 1.045 661 Y HN 0.023 nan 8.280 nan 0.000 0.538 662 Y N 2.035 122.455 120.300 0.200 0.000 2.340 662 Y HA 0.263 4.812 4.550 -0.002 0.000 0.327 662 Y C 0.419 176.485 175.900 0.277 0.000 1.321 662 Y CA -2.010 56.204 58.100 0.191 0.000 1.433 662 Y CB 0.277 38.892 38.460 0.260 0.000 1.373 662 Y HN 0.212 nan 8.280 nan 0.000 0.538 663 D N -0.801 119.229 120.400 -0.616 0.000 2.357 663 D HA 0.125 4.764 4.640 -0.002 0.000 0.242 663 D C 0.864 177.121 176.300 -0.071 0.000 1.153 663 D CA 0.310 54.054 54.000 -0.427 0.000 0.918 663 D CB 0.893 41.238 40.800 -0.759 0.000 1.181 663 D HN 0.448 nan 8.370 nan 0.000 0.435 664 S N 0.807 116.487 115.700 -0.034 0.000 2.357 664 S HA -0.174 4.295 4.470 -0.002 0.000 0.221 664 S C 1.953 176.578 174.600 0.042 0.000 1.031 664 S CA 0.823 59.063 58.200 0.068 0.000 0.982 664 S CB -0.890 62.359 63.200 0.082 0.000 0.853 664 S HN 0.405 nan 8.310 nan 0.000 0.458 665 V N 0.911 120.787 119.914 -0.062 0.000 2.317 665 V HA -0.216 3.903 4.120 -0.002 0.000 0.251 665 V C 2.248 178.266 176.094 -0.128 0.000 1.065 665 V CA 2.405 64.574 62.300 -0.218 0.000 1.049 665 V CB -0.973 30.578 31.823 -0.453 0.000 0.651 665 V HN 0.635 nan 8.190 nan 0.000 0.450 666 Y N 0.955 121.202 120.300 -0.088 0.000 2.134 666 Y HA -0.180 4.369 4.550 -0.002 0.000 0.283 666 Y C 2.753 178.678 175.900 0.041 0.000 1.108 666 Y CA 2.244 60.373 58.100 0.048 0.000 1.096 666 Y CB -0.791 37.893 38.460 0.373 0.000 1.005 666 Y HN 0.198 nan 8.280 nan 0.000 0.487 667 T N 1.106 115.972 114.554 0.521 0.000 2.565 667 T HA -0.303 4.045 4.350 -0.002 0.000 0.265 667 T C 1.569 176.289 174.700 0.034 0.000 1.082 667 T CA 2.305 64.609 62.100 0.340 0.000 1.173 667 T CB -0.609 68.581 68.868 0.536 0.000 0.864 667 T HN 0.514 nan 8.240 nan 0.000 0.425 668 E N 0.761 121.008 120.200 0.078 0.000 2.171 668 E HA -0.224 4.125 4.350 -0.002 0.000 0.197 668 E C 2.339 178.843 176.600 -0.160 0.000 0.997 668 E CA 1.026 57.446 56.400 0.034 0.000 0.810 668 E CB -0.301 29.447 29.700 0.081 0.000 0.738 668 E HN 0.427 nan 8.360 nan 0.000 0.467 669 R N 0.281 120.546 120.500 -0.392 0.000 2.159 669 R HA -0.192 4.147 4.340 -0.002 0.000 0.237 669 R C 1.202 176.960 176.300 -0.903 0.000 1.131 669 R CA 1.531 57.210 56.100 -0.703 0.000 0.982 669 R CB -0.007 29.613 30.300 -1.132 0.000 0.868 669 R HN 0.239 nan 8.270 nan 0.000 0.453 670 Y N -2.359 117.637 120.300 -0.506 0.000 2.535 670 Y HA 0.251 4.800 4.550 -0.002 0.000 0.264 670 Y C 1.607 177.300 175.900 -0.345 0.000 1.087 670 Y CA -0.073 57.700 58.100 -0.544 0.000 1.285 670 Y CB 0.480 38.477 38.460 -0.772 0.000 1.200 670 Y HN -0.047 nan 8.280 nan 0.000 0.514 671 M N -0.408 119.068 119.600 -0.207 0.000 2.337 671 M HA 0.381 4.860 4.480 -0.002 0.000 0.256 671 M C 1.131 177.440 176.300 0.015 0.000 1.075 671 M CA 0.799 55.954 55.300 -0.241 0.000 1.024 671 M CB -0.322 31.887 32.600 -0.652 0.000 1.429 671 M HN 0.343 nan 8.290 nan 0.000 0.497 672 G N 1.917 110.743 108.800 0.043 0.000 2.562 672 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.250 672 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.250 672 G C -0.388 174.639 174.900 0.212 0.000 1.269 672 G CA -0.612 44.551 45.100 0.106 0.000 0.919 672 G HN 0.349 nan 8.290 nan 0.000 0.574 673 L N 2.296 123.619 121.223 0.166 0.000 2.399 673 L HA 0.477 4.816 4.340 -0.002 0.000 0.265 673 L C -1.393 175.504 176.870 0.044 0.000 1.089 673 L CA -1.622 53.276 54.840 0.096 0.000 0.802 673 L CB 1.926 44.007 42.059 0.035 0.000 1.180 673 L HN 0.486 nan 8.230 nan 0.000 0.454 674 P HA 0.107 nan 4.420 nan 0.000 0.221 674 P C -0.549 176.589 177.300 -0.271 0.000 1.854 674 P CA -0.165 62.522 63.100 -0.687 0.000 0.985 674 P CB -0.039 30.824 31.700 -1.395 0.000 1.711 675 T N -2.932 111.562 114.554 -0.099 0.000 2.945 675 T HA 0.423 4.772 4.350 -0.002 0.000 0.286 675 T C -1.713 172.986 174.700 -0.002 0.000 1.025 675 T CA -2.385 59.686 62.100 -0.047 0.000 1.039 675 T CB 1.717 70.570 68.868 -0.024 0.000 1.068 675 T HN -0.188 nan 8.240 nan 0.000 0.497 676 P HA -0.078 nan 4.420 nan 0.000 0.220 676 P C 0.654 177.971 177.300 0.029 0.000 1.148 676 P CA 1.083 64.194 63.100 0.019 0.000 0.803 676 P CB 0.135 31.840 31.700 0.009 0.000 0.782 677 E N -0.779 119.435 120.200 0.022 0.000 2.427 677 E HA -0.048 4.301 4.350 -0.002 0.000 0.196 677 E C 1.306 177.929 176.600 0.039 0.000 1.028 677 E CA 0.593 57.009 56.400 0.026 0.000 0.864 677 E CB -0.186 29.524 29.700 0.017 0.000 0.813 677 E HN 0.352 nan 8.360 nan 0.000 0.514 678 D N -0.604 119.827 120.400 0.051 0.000 3.535 678 D HA 0.096 4.735 4.640 -0.002 0.000 0.189 678 D C -0.085 176.286 176.300 0.118 0.000 1.133 678 D CA -0.402 53.642 54.000 0.074 0.000 1.280 678 D CB -0.100 40.743 40.800 0.071 0.000 1.013 678 D HN -0.074 nan 8.370 nan 0.000 0.328 679 N N 0.445 119.251 118.700 0.176 0.000 2.279 679 N HA 0.026 4.765 4.740 -0.002 0.000 0.226 679 N C 1.473 177.222 175.510 0.399 0.000 1.126 679 N CA -0.187 53.029 53.050 0.276 0.000 0.846 679 N CB 0.316 38.968 38.487 0.275 0.000 1.050 679 N HN 0.088 nan 8.380 nan 0.000 0.502 680 L N 0.867 122.230 121.223 0.234 0.000 2.081 680 L HA -0.193 4.146 4.340 -0.002 0.000 0.212 680 L C 1.406 178.395 176.870 0.198 0.000 1.080 680 L CA 1.893 56.837 54.840 0.174 0.000 0.754 680 L CB -0.427 41.656 42.059 0.040 0.000 0.893 680 L HN 0.199 nan 8.230 nan 0.000 0.433 681 D N -1.200 119.285 120.400 0.143 0.000 2.097 681 D HA -0.228 4.411 4.640 -0.002 0.000 0.195 681 D C 2.040 178.305 176.300 -0.058 0.000 0.989 681 D CA 1.712 55.722 54.000 0.017 0.000 0.827 681 D CB -0.344 40.428 40.800 -0.047 0.000 0.966 681 D HN 0.449 nan 8.370 nan 0.000 0.456 682 Y N -0.553 119.797 120.300 0.084 0.000 2.571 682 Y HA -0.125 4.424 4.550 -0.002 0.000 0.294 682 Y C 1.908 177.827 175.900 0.032 0.000 1.141 682 Y CA 0.514 58.629 58.100 0.024 0.000 1.308 682 Y CB -0.195 38.239 38.460 -0.043 0.000 1.002 682 Y HN 0.047 nan 8.280 nan 0.000 0.551 683 Y N -0.646 119.727 120.300 0.123 0.000 2.231 683 Y HA -0.105 4.444 4.550 -0.002 0.000 0.294 683 Y C 2.677 178.618 175.900 0.068 0.000 1.120 683 Y CA 1.287 59.458 58.100 0.119 0.000 1.141 683 Y CB -0.241 38.273 38.460 0.090 0.000 1.022 683 Y HN -0.106 nan 8.280 nan 0.000 0.523 684 R N 1.007 121.616 120.500 0.182 0.000 2.096 684 R HA -0.153 4.186 4.340 -0.002 0.000 0.235 684 R C 1.170 177.488 176.300 0.031 0.000 1.127 684 R CA 1.744 57.887 56.100 0.073 0.000 0.968 684 R CB -0.315 30.001 30.300 0.027 0.000 0.861 684 R HN 0.428 nan 8.270 nan 0.000 0.440 685 N N -0.104 118.594 118.700 -0.003 0.000 2.276 685 N HA -0.046 4.693 4.740 -0.002 0.000 0.212 685 N C -0.183 175.346 175.510 0.032 0.000 1.127 685 N CA 0.426 53.465 53.050 -0.017 0.000 0.834 685 N CB 0.854 39.290 38.487 -0.085 0.000 1.014 685 N HN 0.163 nan 8.380 nan 0.000 0.491 686 S N -1.300 114.460 115.700 0.099 0.000 2.601 686 S HA 0.094 4.563 4.470 -0.002 0.000 0.244 686 S C 0.452 175.185 174.600 0.222 0.000 1.001 686 S CA -0.533 57.781 58.200 0.190 0.000 0.984 686 S CB -0.697 62.667 63.200 0.274 0.000 0.842 686 S HN 0.333 nan 8.310 nan 0.000 0.474 687 T N -1.297 113.322 114.554 0.109 0.000 2.909 687 T HA 0.490 4.839 4.350 -0.002 0.000 0.289 687 T C 1.231 175.966 174.700 0.057 0.000 1.005 687 T CA -0.619 61.512 62.100 0.053 0.000 1.084 687 T CB 1.405 70.262 68.868 -0.018 0.000 0.975 687 T HN -0.040 nan 8.240 nan 0.000 0.509 688 V N 2.175 122.117 119.914 0.047 0.000 2.667 688 V HA -0.104 4.014 4.120 -0.002 0.000 0.252 688 V C 2.444 178.513 176.094 -0.041 0.000 1.065 688 V CA 1.430 63.739 62.300 0.014 0.000 1.083 688 V CB -0.950 30.872 31.823 -0.002 0.000 0.692 688 V HN 0.822 nan 8.190 nan 0.000 0.468 689 M N 0.878 120.439 119.600 -0.065 0.000 2.086 689 M HA -0.152 4.327 4.480 -0.002 0.000 0.261 689 M C 2.465 178.735 176.300 -0.048 0.000 1.067 689 M CA 2.176 57.423 55.300 -0.089 0.000 1.116 689 M CB -0.962 31.597 32.600 -0.069 0.000 1.348 689 M HN 0.503 nan 8.290 nan 0.000 0.407 690 S N 0.010 115.699 115.700 -0.019 0.000 2.420 690 S HA -0.169 4.300 4.470 -0.002 0.000 0.237 690 S C 1.819 176.426 174.600 0.012 0.000 1.023 690 S CA 1.105 59.302 58.200 -0.004 0.000 0.991 690 S CB -0.591 62.610 63.200 0.002 0.000 0.792 690 S HN 0.527 nan 8.310 nan 0.000 0.488 691 R N 0.543 121.064 120.500 0.034 0.000 2.426 691 R HA 0.460 4.799 4.340 -0.002 0.000 0.263 691 R C 2.066 178.457 176.300 0.152 0.000 0.961 691 R CA 0.373 56.516 56.100 0.072 0.000 1.086 691 R CB -0.214 30.131 30.300 0.074 0.000 1.186 691 R HN 0.515 nan 8.270 nan 0.000 0.537 692 A N 1.403 124.266 122.820 0.071 0.000 1.873 692 A HA -0.271 4.048 4.320 -0.002 0.000 0.218 692 A C 2.019 179.674 177.584 0.118 0.000 1.193 692 A CA 1.812 53.870 52.037 0.035 0.000 0.629 692 A CB -0.274 18.675 19.000 -0.085 0.000 0.826 692 A HN 0.273 nan 8.150 nan 0.000 0.447 693 E N 0.761 121.005 120.200 0.073 0.000 2.114 693 E HA -0.229 4.120 4.350 -0.002 0.000 0.199 693 E C 1.547 178.202 176.600 0.091 0.000 1.008 693 E CA 2.105 58.547 56.400 0.070 0.000 0.810 693 E CB -0.685 29.041 29.700 0.043 0.000 0.739 693 E HN 0.786 nan 8.360 nan 0.000 0.456 694 N N -1.233 117.517 118.700 0.084 0.000 2.573 694 N HA -0.083 4.656 4.740 -0.002 0.000 0.187 694 N C 0.768 176.280 175.510 0.002 0.000 1.107 694 N CA 0.211 53.276 53.050 0.025 0.000 0.918 694 N CB -0.147 38.317 38.487 -0.038 0.000 0.966 694 N HN 0.137 nan 8.380 nan 0.000 0.448 695 F N 1.430 121.341 119.950 -0.066 0.000 2.604 695 F HA 0.060 4.586 4.527 -0.002 0.000 0.298 695 F C 1.840 177.645 175.800 0.007 0.000 1.131 695 F CA 0.620 58.573 58.000 -0.078 0.000 1.457 695 F CB 0.115 39.007 39.000 -0.180 0.000 1.095 695 F HN -0.071 nan 8.300 nan 0.000 0.574 696 K N -0.230 120.273 120.400 0.172 0.000 2.360 696 K HA -0.143 4.176 4.320 -0.002 0.000 0.201 696 K C 1.418 178.082 176.600 0.107 0.000 1.046 696 K CA 0.725 57.094 56.287 0.138 0.000 0.945 696 K CB -0.103 32.458 32.500 0.101 0.000 0.750 696 K HN 0.300 nan 8.250 nan 0.000 0.464 697 Q N 0.118 119.960 119.800 0.070 0.000 2.392 697 Q HA 0.037 4.376 4.340 -0.002 0.000 0.203 697 Q C 0.937 176.978 176.000 0.068 0.000 0.917 697 Q CA 0.311 56.145 55.803 0.052 0.000 0.939 697 Q CB 0.334 29.083 28.738 0.019 0.000 1.063 697 Q HN 0.204 nan 8.270 nan 0.000 0.516 698 V N -3.185 116.783 119.914 0.089 0.000 3.141 698 V HA 0.510 4.628 4.120 -0.002 0.000 0.312 698 V C -0.515 175.724 176.094 0.242 0.000 1.157 698 V CA -1.294 61.087 62.300 0.134 0.000 1.041 698 V CB 2.407 34.272 31.823 0.070 0.000 1.071 698 V HN -0.115 nan 8.190 nan 0.000 0.441 699 E N 1.229 121.601 120.200 0.286 0.000 2.089 699 E HA 0.353 4.702 4.350 -0.002 0.000 0.284 699 E C -1.872 175.085 176.600 0.595 0.000 1.023 699 E CA -0.321 56.314 56.400 0.392 0.000 0.819 699 E CB 1.048 30.923 29.700 0.292 0.000 1.076 699 E HN 0.653 nan 8.360 nan 0.000 0.396 700 Y N 4.123 124.670 120.300 0.411 0.000 2.387 700 Y HA 0.370 4.919 4.550 -0.002 0.000 0.336 700 Y C -1.122 174.874 175.900 0.159 0.000 1.067 700 Y CA -1.230 57.080 58.100 0.350 0.000 1.114 700 Y CB 0.947 39.658 38.460 0.418 0.000 1.208 700 Y HN 0.347 nan 8.280 nan 0.000 0.458 701 L N 8.520 129.377 121.223 -0.611 0.000 2.415 701 L HA 0.424 4.763 4.340 -0.002 0.000 0.268 701 L C -2.113 174.246 176.870 -0.851 0.000 0.984 701 L CA -0.875 53.496 54.840 -0.782 0.000 0.853 701 L CB 1.236 42.518 42.059 -1.294 0.000 1.215 701 L HN 0.676 nan 8.230 nan 0.000 0.419 702 L N 6.728 127.565 121.223 -0.642 0.000 2.272 702 L HA 0.604 4.943 4.340 -0.002 0.000 0.289 702 L C -0.753 175.967 176.870 -0.250 0.000 1.032 702 L CA -0.015 54.549 54.840 -0.460 0.000 0.810 702 L CB 1.163 43.073 42.059 -0.248 0.000 1.205 702 L HN 0.449 nan 8.230 nan 0.000 0.422 703 I N 4.855 125.279 120.570 -0.243 0.000 2.509 703 I HA 0.476 4.645 4.170 -0.002 0.000 0.293 703 I C -0.899 175.150 176.117 -0.114 0.000 1.020 703 I CA -0.784 60.407 61.300 -0.182 0.000 1.088 703 I CB 1.813 39.674 38.000 -0.232 0.000 1.267 703 I HN 0.544 nan 8.210 nan 0.000 0.430 704 H N 2.701 121.762 119.070 -0.015 0.000 3.038 704 H HA 0.388 4.943 4.556 -0.002 0.000 0.362 704 H C -0.753 174.760 175.328 0.308 0.000 1.167 704 H CA -0.633 55.468 56.048 0.088 0.000 1.197 704 H CB 2.544 32.288 29.762 -0.031 0.000 1.840 704 H HN 0.761 nan 8.280 nan 0.000 0.540 705 G N 1.408 110.577 108.800 0.615 0.000 2.338 705 G HA2 0.204 4.163 3.960 -0.002 0.000 0.295 705 G HA3 0.204 4.163 3.960 -0.002 0.000 0.295 705 G C 1.123 176.262 174.900 0.398 0.000 1.132 705 G CA 0.177 45.552 45.100 0.459 0.000 0.922 705 G HN 0.672 nan 8.290 nan 0.000 0.427 706 T N -0.237 114.412 114.554 0.158 0.000 2.918 706 T HA -0.074 4.275 4.350 -0.002 0.000 0.271 706 T C 1.619 176.220 174.700 -0.165 0.000 1.104 706 T CA 1.448 63.397 62.100 -0.251 0.000 1.114 706 T CB 0.104 68.742 68.868 -0.383 0.000 0.855 706 T HN 0.739 nan 8.240 nan 0.000 0.518 707 A N 0.815 123.622 122.820 -0.021 0.000 2.701 707 A HA 0.337 4.655 4.320 -0.002 0.000 0.297 707 A C 0.307 177.834 177.584 -0.095 0.000 1.197 707 A CA -0.521 51.464 52.037 -0.085 0.000 0.963 707 A CB -0.051 19.151 19.000 0.337 0.000 1.175 707 A HN 0.378 nan 8.150 nan 0.000 0.531 708 D N 1.531 121.897 120.400 -0.058 0.000 2.344 708 D HA 0.001 4.640 4.640 -0.002 0.000 0.253 708 D C 0.367 176.631 176.300 -0.059 0.000 1.255 708 D CA 0.021 54.097 54.000 0.128 0.000 0.894 708 D CB 0.738 41.776 40.800 0.397 0.000 1.067 708 D HN 0.525 nan 8.370 nan 0.000 0.492 709 D N 2.645 123.058 120.400 0.021 0.000 2.363 709 D HA -0.152 4.487 4.640 -0.002 0.000 0.220 709 D C 0.831 177.170 176.300 0.064 0.000 0.994 709 D CA 0.049 54.034 54.000 -0.025 0.000 0.890 709 D CB 0.385 41.137 40.800 -0.081 0.000 0.906 709 D HN 0.227 nan 8.370 nan 0.000 0.530 710 N N 0.624 119.404 118.700 0.133 0.000 2.335 710 N HA -0.037 4.702 4.740 -0.002 0.000 0.197 710 N C -0.039 175.426 175.510 -0.074 0.000 1.045 710 N CA 0.499 53.623 53.050 0.124 0.000 0.928 710 N CB 0.435 38.826 38.487 -0.159 0.000 1.118 710 N HN -0.087 nan 8.380 nan 0.000 0.471 711 V N 3.200 123.062 119.914 -0.087 0.000 2.304 711 V HA 0.187 4.306 4.120 -0.002 0.000 0.262 711 V C -0.454 175.690 176.094 0.083 0.000 1.061 711 V CA -0.398 61.920 62.300 0.030 0.000 0.872 711 V CB -0.610 31.306 31.823 0.155 0.000 1.077 711 V HN 0.296 nan 8.190 nan 0.000 0.480 712 H N 3.219 122.200 119.070 -0.148 0.000 3.092 712 H HA -0.096 4.459 4.556 -0.002 0.000 0.332 712 H C 0.890 175.985 175.328 -0.388 0.000 1.029 712 H CA 0.051 55.922 56.048 -0.296 0.000 1.376 712 H CB 0.656 30.178 29.762 -0.400 0.000 1.329 712 H HN 0.643 nan 8.280 nan 0.000 0.598 713 F N 2.311 121.978 119.950 -0.473 0.000 2.346 713 F HA -0.283 4.243 4.527 -0.002 0.000 0.301 713 F C 2.475 177.993 175.800 -0.470 0.000 1.070 713 F CA 1.575 59.147 58.000 -0.712 0.000 1.407 713 F CB -0.179 38.558 39.000 -0.439 0.000 1.072 713 F HN 0.651 nan 8.300 nan 0.000 0.543 714 Q N 0.247 119.869 119.800 -0.297 0.000 2.061 714 Q HA -0.283 4.055 4.340 -0.002 0.000 0.204 714 Q C 2.051 177.783 176.000 -0.446 0.000 0.984 714 Q CA 2.106 57.703 55.803 -0.345 0.000 0.846 714 Q CB -0.406 28.099 28.738 -0.389 0.000 0.902 714 Q HN 0.584 nan 8.270 nan 0.000 0.421 715 Q N -0.210 119.351 119.800 -0.400 0.000 2.135 715 Q HA -0.126 4.212 4.340 -0.002 0.000 0.204 715 Q C 2.190 178.085 176.000 -0.174 0.000 0.981 715 Q CA 1.632 57.321 55.803 -0.191 0.000 0.856 715 Q CB -0.031 28.683 28.738 -0.040 0.000 0.902 715 Q HN 0.304 nan 8.270 nan 0.000 0.425 716 S N -0.081 115.425 115.700 -0.324 0.000 2.446 716 S HA 0.063 4.532 4.470 -0.002 0.000 0.225 716 S C 1.849 176.215 174.600 -0.390 0.000 1.016 716 S CA 0.595 58.612 58.200 -0.304 0.000 0.943 716 S CB 0.111 63.126 63.200 -0.309 0.000 0.786 716 S HN 0.448 nan 8.310 nan 0.000 0.508 717 A N 0.879 123.390 122.820 -0.515 0.000 1.970 717 A HA 0.010 4.329 4.320 -0.002 0.000 0.216 717 A C 2.086 179.583 177.584 -0.146 0.000 1.170 717 A CA 0.718 52.578 52.037 -0.295 0.000 0.645 717 A CB -0.291 18.597 19.000 -0.186 0.000 0.816 717 A HN 0.299 nan 8.150 nan 0.000 0.447 718 Q N -0.751 118.961 119.800 -0.147 0.000 2.119 718 Q HA -0.125 4.214 4.340 -0.002 0.000 0.201 718 Q C 2.095 178.063 176.000 -0.053 0.000 0.972 718 Q CA 1.401 57.172 55.803 -0.053 0.000 0.847 718 Q CB -0.461 28.304 28.738 0.045 0.000 0.903 718 Q HN 0.622 nan 8.270 nan 0.000 0.433 719 L N 0.909 122.075 121.223 -0.093 0.000 2.027 719 L HA -0.126 4.213 4.340 -0.002 0.000 0.206 719 L C 2.312 179.055 176.870 -0.213 0.000 1.074 719 L CA 2.384 57.132 54.840 -0.154 0.000 0.745 719 L CB -0.984 40.976 42.059 -0.165 0.000 0.898 719 L HN 0.196 nan 8.230 nan 0.000 0.433 720 S N -0.772 114.836 115.700 -0.154 0.000 2.399 720 S HA -0.287 4.182 4.470 -0.002 0.000 0.231 720 S C 2.118 176.730 174.600 0.020 0.000 1.022 720 S CA 1.407 59.563 58.200 -0.074 0.000 0.983 720 S CB -0.734 62.582 63.200 0.194 0.000 0.803 720 S HN 0.600 nan 8.310 nan 0.000 0.480 721 K N 1.667 122.065 120.400 -0.004 0.000 2.097 721 K HA 0.045 4.363 4.320 -0.002 0.000 0.206 721 K C 2.229 178.823 176.600 -0.011 0.000 1.049 721 K CA 1.091 57.387 56.287 0.015 0.000 0.933 721 K CB -0.608 31.892 32.500 0.002 0.000 0.717 721 K HN 0.448 nan 8.250 nan 0.000 0.442 722 A N 1.131 123.912 122.820 -0.065 0.000 1.872 722 A HA -0.067 4.252 4.320 -0.002 0.000 0.214 722 A C 2.084 179.603 177.584 -0.108 0.000 1.187 722 A CA 1.124 53.112 52.037 -0.082 0.000 0.614 722 A CB -0.590 18.343 19.000 -0.111 0.000 0.826 722 A HN 0.297 nan 8.150 nan 0.000 0.442 723 L N -0.378 120.715 121.223 -0.216 0.000 2.012 723 L HA -0.197 4.142 4.340 -0.002 0.000 0.210 723 L C 2.537 179.415 176.870 0.014 0.000 1.073 723 L CA 1.346 56.035 54.840 -0.252 0.000 0.748 723 L CB -0.688 40.927 42.059 -0.740 0.000 0.891 723 L HN 0.246 nan 8.230 nan 0.000 0.431 724 V N -0.355 119.637 119.914 0.130 0.000 2.343 724 V HA -0.297 3.822 4.120 -0.002 0.000 0.247 724 V C 2.056 178.199 176.094 0.082 0.000 1.051 724 V CA 1.891 64.296 62.300 0.174 0.000 1.036 724 V CB -0.584 31.337 31.823 0.163 0.000 0.654 724 V HN 0.443 nan 8.190 nan 0.000 0.451 725 D N 0.526 120.951 120.400 0.041 0.000 2.218 725 D HA -0.070 4.569 4.640 -0.002 0.000 0.204 725 D C 1.835 178.149 176.300 0.023 0.000 0.976 725 D CA 1.506 55.521 54.000 0.024 0.000 0.853 725 D CB -0.116 40.688 40.800 0.008 0.000 0.939 725 D HN 0.497 nan 8.370 nan 0.000 0.481 726 A N -0.376 122.456 122.820 0.019 0.000 2.337 726 A HA 0.459 4.778 4.320 -0.002 0.000 0.227 726 A C 1.619 179.232 177.584 0.048 0.000 1.259 726 A CA 0.658 52.709 52.037 0.023 0.000 0.870 726 A CB -0.287 18.716 19.000 0.005 0.000 0.927 726 A HN 0.171 nan 8.150 nan 0.000 0.497 727 G N -0.955 107.883 108.800 0.063 0.000 2.203 727 G HA2 -0.213 3.746 3.960 -0.002 0.000 0.263 727 G HA3 -0.213 3.746 3.960 -0.002 0.000 0.263 727 G C 0.171 175.135 174.900 0.107 0.000 1.012 727 G CA 0.419 45.566 45.100 0.077 0.000 0.749 727 G HN 0.764 nan 8.290 nan 0.000 0.512 728 V N 0.612 120.607 119.914 0.136 0.000 2.432 728 V HA 0.429 4.548 4.120 -0.002 0.000 0.275 728 V C 0.375 176.668 176.094 0.332 0.000 1.043 728 V CA -0.444 61.970 62.300 0.190 0.000 0.925 728 V CB 1.678 33.583 31.823 0.137 0.000 0.985 728 V HN 0.372 nan 8.190 nan 0.000 0.466 729 D N 4.480 125.052 120.400 0.286 0.000 2.256 729 D HA 0.609 5.248 4.640 -0.002 0.000 0.250 729 D C -0.711 175.847 176.300 0.430 0.000 1.093 729 D CA 0.090 54.256 54.000 0.275 0.000 0.882 729 D CB 0.790 41.675 40.800 0.140 0.000 1.185 729 D HN 0.334 nan 8.370 nan 0.000 0.437 730 F N -0.188 119.832 119.950 0.116 0.000 2.693 730 F HA 0.443 4.969 4.527 -0.002 0.000 0.309 730 F C -0.783 175.059 175.800 0.069 0.000 1.129 730 F CA -1.116 56.973 58.000 0.148 0.000 0.948 730 F CB 0.612 39.743 39.000 0.217 0.000 1.315 730 F HN 0.172 nan 8.300 nan 0.000 0.447 731 Q N 0.465 120.299 119.800 0.056 0.000 2.199 731 Q HA 0.713 5.052 4.340 -0.002 0.000 0.232 731 Q C -0.830 175.100 176.000 -0.117 0.000 0.969 731 Q CA -0.791 54.946 55.803 -0.109 0.000 0.925 731 Q CB 1.888 30.586 28.738 -0.066 0.000 1.198 731 Q HN 0.854 nan 8.270 nan 0.000 0.494 732 T N 0.163 114.619 114.554 -0.164 0.000 2.769 732 T HA 0.620 4.969 4.350 -0.002 0.000 0.306 732 T C -2.066 172.491 174.700 -0.238 0.000 1.400 732 T CA -0.640 61.381 62.100 -0.132 0.000 1.007 732 T CB 1.364 70.210 68.868 -0.037 0.000 1.392 732 T HN 0.496 nan 8.240 nan 0.000 0.500 733 M N 3.195 122.638 119.600 -0.262 0.000 2.298 733 M HA 0.551 5.030 4.480 -0.002 0.000 0.255 733 M C -2.210 173.851 176.300 -0.399 0.000 1.021 733 M CA -0.490 54.499 55.300 -0.519 0.000 0.968 733 M CB 0.926 33.096 32.600 -0.717 0.000 2.037 733 M HN 0.701 nan 8.290 nan 0.000 0.478 734 W N 4.565 125.659 121.300 -0.344 0.000 2.448 734 W HA 0.769 5.428 4.660 -0.002 0.000 0.339 734 W C -2.000 174.245 176.519 -0.458 0.000 1.124 734 W CA -0.775 56.458 57.345 -0.186 0.000 1.262 734 W CB 0.387 29.800 29.460 -0.078 0.000 1.251 734 W HN 0.609 nan 8.180 nan 0.000 0.597 735 Y N 2.474 122.872 120.300 0.165 0.000 2.555 735 Y HA 0.280 4.828 4.550 -0.002 0.000 0.326 735 Y C 0.358 176.341 175.900 0.137 0.000 0.984 735 Y CA -1.512 56.599 58.100 0.018 0.000 1.298 735 Y CB 0.991 39.430 38.460 -0.035 0.000 1.094 735 Y HN 0.451 nan 8.280 nan 0.000 0.500 736 T N 4.484 119.219 114.554 0.302 0.000 2.822 736 T HA -0.028 4.321 4.350 -0.002 0.000 0.288 736 T C 0.226 174.971 174.700 0.074 0.000 0.991 736 T CA 0.794 62.976 62.100 0.136 0.000 1.176 736 T CB -0.087 68.800 68.868 0.032 0.000 0.951 736 T HN 0.695 nan 8.240 nan 0.000 0.526 737 D N 0.163 120.590 120.400 0.044 0.000 2.946 737 D HA -0.126 4.513 4.640 -0.002 0.000 0.202 737 D C 0.328 176.716 176.300 0.147 0.000 1.068 737 D CA 1.199 55.188 54.000 -0.019 0.000 1.011 737 D CB -0.461 40.180 40.800 -0.265 0.000 1.105 737 D HN 0.574 nan 8.370 nan 0.000 0.425 738 E N 1.115 121.421 120.200 0.178 0.000 2.373 738 E HA 0.301 4.650 4.350 -0.002 0.000 0.263 738 E C 0.853 177.605 176.600 0.255 0.000 1.073 738 E CA -0.034 56.490 56.400 0.206 0.000 0.894 738 E CB 0.967 30.775 29.700 0.179 0.000 1.008 738 E HN 0.397 nan 8.360 nan 0.000 0.420 739 D N -0.172 120.396 120.400 0.280 0.000 2.509 739 D HA 0.004 4.643 4.640 -0.002 0.000 0.275 739 D C 1.157 177.687 176.300 0.383 0.000 1.189 739 D CA -0.092 54.099 54.000 0.319 0.000 1.098 739 D CB -0.340 40.664 40.800 0.340 0.000 1.177 739 D HN 0.361 nan 8.370 nan 0.000 0.599 740 H N -1.276 117.964 119.070 0.284 0.000 2.387 740 H HA 0.072 4.627 4.556 -0.002 0.000 0.299 740 H C 1.944 177.534 175.328 0.436 0.000 1.099 740 H CA 2.344 58.591 56.048 0.331 0.000 1.315 740 H CB -0.525 29.410 29.762 0.289 0.000 1.380 740 H HN 0.511 nan 8.280 nan 0.000 0.513 741 G N -0.355 108.637 108.800 0.319 0.000 2.813 741 G HA2 0.014 3.973 3.960 -0.002 0.000 0.209 741 G HA3 0.014 3.973 3.960 -0.002 0.000 0.209 741 G C 0.620 175.739 174.900 0.365 0.000 1.150 741 G CA 0.287 45.514 45.100 0.211 0.000 0.785 741 G HN 0.526 nan 8.290 nan 0.000 0.535 742 I N -0.080 120.693 120.570 0.338 0.000 5.158 742 I HA -0.329 3.840 4.170 -0.002 0.000 0.126 742 I C 1.485 177.718 176.117 0.194 0.000 1.344 742 I CA 0.205 61.638 61.300 0.220 0.000 2.637 742 I CB -1.255 36.838 38.000 0.155 0.000 2.338 742 I HN 0.259 nan 8.210 nan 0.000 0.320 743 A N 1.282 124.188 122.820 0.143 0.000 2.423 743 A HA 0.325 4.644 4.320 -0.002 0.000 0.246 743 A C 1.112 178.712 177.584 0.026 0.000 1.278 743 A CA 0.487 52.561 52.037 0.062 0.000 0.903 743 A CB 0.077 19.073 19.000 -0.007 0.000 0.997 743 A HN 0.636 nan 8.150 nan 0.000 0.510 744 S N -0.443 115.287 115.700 0.050 0.000 2.579 744 S HA 0.049 4.518 4.470 -0.002 0.000 0.275 744 S C 1.067 175.689 174.600 0.036 0.000 1.345 744 S CA -0.009 58.212 58.200 0.036 0.000 1.031 744 S CB 0.494 63.720 63.200 0.044 0.000 0.892 744 S HN 0.464 nan 8.310 nan 0.000 0.529 745 N N 1.910 120.622 118.700 0.020 0.000 2.011 745 N HA -0.192 4.547 4.740 -0.002 0.000 0.199 745 N C 2.016 177.560 175.510 0.056 0.000 1.047 745 N CA 2.373 55.440 53.050 0.029 0.000 0.863 745 N CB -0.339 38.152 38.487 0.008 0.000 1.056 745 N HN 0.906 nan 8.380 nan 0.000 0.427 746 M N -0.317 119.303 119.600 0.033 0.000 2.213 746 M HA 0.020 4.499 4.480 -0.002 0.000 0.263 746 M C 2.081 178.396 176.300 0.025 0.000 1.062 746 M CA 1.553 56.872 55.300 0.032 0.000 1.105 746 M CB -0.938 31.674 32.600 0.021 0.000 1.385 746 M HN 0.023 nan 8.290 nan 0.000 0.417 747 A N 0.220 123.027 122.820 -0.023 0.000 1.929 747 A HA -0.171 4.148 4.320 -0.002 0.000 0.216 747 A C 2.009 179.504 177.584 -0.149 0.000 1.176 747 A CA 1.863 53.797 52.037 -0.173 0.000 0.628 747 A CB -1.196 17.667 19.000 -0.228 0.000 0.816 747 A HN 0.712 nan 8.150 nan 0.000 0.444 748 H N 0.273 119.290 119.070 -0.087 0.000 2.265 748 H HA -0.179 4.376 4.556 -0.002 0.000 0.295 748 H C 2.099 177.469 175.328 0.069 0.000 1.084 748 H CA 2.477 58.533 56.048 0.014 0.000 1.261 748 H CB -0.310 29.477 29.762 0.042 0.000 1.360 748 H HN 0.578 nan 8.280 nan 0.000 0.487 749 Q N -1.107 118.690 119.800 -0.005 0.000 2.124 749 Q HA -0.199 4.140 4.340 -0.002 0.000 0.202 749 Q C 2.246 178.225 176.000 -0.035 0.000 0.977 749 Q CA 1.360 57.127 55.803 -0.060 0.000 0.850 749 Q CB -0.217 28.514 28.738 -0.013 0.000 0.901 749 Q HN 0.634 nan 8.270 nan 0.000 0.429 750 H N 0.923 119.930 119.070 -0.105 0.000 2.326 750 H HA -0.063 4.491 4.556 -0.002 0.000 0.301 750 H C 2.014 177.302 175.328 -0.067 0.000 1.081 750 H CA 1.303 57.309 56.048 -0.070 0.000 1.334 750 H CB -0.061 29.680 29.762 -0.035 0.000 1.385 750 H HN 0.288 nan 8.280 nan 0.000 0.504 751 I N 0.163 120.686 120.570 -0.079 0.000 2.142 751 I HA -0.344 3.825 4.170 -0.002 0.000 0.240 751 I C 1.877 177.825 176.117 -0.281 0.000 1.078 751 I CA 1.377 62.598 61.300 -0.133 0.000 1.343 751 I CB -0.357 37.397 38.000 -0.410 0.000 1.046 751 I HN 0.132 nan 8.210 nan 0.000 0.405 752 Y N 1.168 121.303 120.300 -0.275 0.000 2.256 752 Y HA -0.238 4.311 4.550 -0.002 0.000 0.288 752 Y C 2.753 178.546 175.900 -0.178 0.000 1.155 752 Y CA 1.982 59.828 58.100 -0.423 0.000 1.203 752 Y CB -1.019 37.194 38.460 -0.411 0.000 0.980 752 Y HN 0.201 nan 8.280 nan 0.000 0.530 753 T N -2.000 112.559 114.554 0.009 0.000 2.857 753 T HA -0.183 4.166 4.350 -0.002 0.000 0.266 753 T C 1.545 176.224 174.700 -0.035 0.000 1.048 753 T CA 1.626 63.743 62.100 0.029 0.000 1.139 753 T CB -0.359 68.447 68.868 -0.103 0.000 0.874 753 T HN 0.431 nan 8.240 nan 0.000 0.455 754 H N 0.688 119.622 119.070 -0.227 0.000 2.389 754 H HA 0.164 4.719 4.556 -0.002 0.000 0.299 754 H C 2.160 177.471 175.328 -0.028 0.000 1.081 754 H CA 1.364 57.286 56.048 -0.211 0.000 1.345 754 H CB -0.128 29.519 29.762 -0.191 0.000 1.393 754 H HN 0.233 nan 8.280 nan 0.000 0.520 755 M N -0.951 118.648 119.600 -0.002 0.000 2.099 755 M HA -0.150 4.329 4.480 -0.002 0.000 0.262 755 M C 2.442 178.927 176.300 0.309 0.000 1.067 755 M CA 1.388 56.697 55.300 0.014 0.000 1.124 755 M CB -0.034 32.310 32.600 -0.427 0.000 1.353 755 M HN 0.203 nan 8.290 nan 0.000 0.410 756 S N -0.426 115.540 115.700 0.442 0.000 2.353 756 S HA -0.202 4.267 4.470 -0.002 0.000 0.222 756 S C 1.675 176.482 174.600 0.346 0.000 1.035 756 S CA 1.551 60.106 58.200 0.592 0.000 1.025 756 S CB -0.623 62.987 63.200 0.683 0.000 0.902 756 S HN 0.458 nan 8.310 nan 0.000 0.440 757 H N -0.131 119.004 119.070 0.109 0.000 2.390 757 H HA -0.079 4.476 4.556 -0.002 0.000 0.298 757 H C 1.747 177.083 175.328 0.015 0.000 1.106 757 H CA 1.640 57.698 56.048 0.017 0.000 1.297 757 H CB -0.485 29.224 29.762 -0.089 0.000 1.375 757 H HN 0.417 nan 8.280 nan 0.000 0.509 758 F N 0.454 120.401 119.950 -0.005 0.000 2.084 758 F HA -0.141 4.385 4.527 -0.002 0.000 0.296 758 F C 2.139 177.903 175.800 -0.061 0.000 1.111 758 F CA 1.145 59.109 58.000 -0.059 0.000 1.224 758 F CB -0.655 38.297 39.000 -0.080 0.000 0.991 758 F HN 0.071 nan 8.300 nan 0.000 0.471 759 L N 0.279 121.393 121.223 -0.182 0.000 2.012 759 L HA -0.265 4.074 4.340 -0.002 0.000 0.210 759 L C 2.430 179.041 176.870 -0.433 0.000 1.073 759 L CA 1.815 56.359 54.840 -0.493 0.000 0.748 759 L CB -0.651 41.193 42.059 -0.358 0.000 0.891 759 L HN 0.105 nan 8.230 nan 0.000 0.431 760 K N -0.707 119.589 120.400 -0.173 0.000 2.281 760 K HA -0.206 4.113 4.320 -0.002 0.000 0.203 760 K C 2.095 178.653 176.600 -0.069 0.000 1.046 760 K CA 0.957 57.205 56.287 -0.065 0.000 0.938 760 K CB -0.023 32.459 32.500 -0.031 0.000 0.737 760 K HN 0.364 nan 8.250 nan 0.000 0.458 761 Q N -0.243 119.471 119.800 -0.144 0.000 2.212 761 Q HA -0.091 4.247 4.340 -0.002 0.000 0.199 761 Q C 2.308 178.224 176.000 -0.140 0.000 0.950 761 Q CA 0.876 56.608 55.803 -0.118 0.000 0.863 761 Q CB -0.115 28.555 28.738 -0.115 0.000 0.944 761 Q HN 0.405 nan 8.270 nan 0.000 0.465 762 c N -0.110 118.318 118.600 -0.287 0.000 2.475 762 c HA 0.013 4.582 4.570 -0.002 0.000 0.279 762 c C 1.827 175.999 174.090 0.138 0.000 1.322 762 c CA 0.118 56.323 56.329 -0.206 0.000 1.734 762 c CB -0.785 41.428 42.510 -0.496 0.000 2.005 762 c HN 0.298 nan 8.230 nan 0.000 0.495 763 F N 1.755 121.645 119.950 -0.101 0.000 2.660 763 F HA 0.263 4.789 4.527 -0.002 0.000 0.302 763 F C 1.716 177.488 175.800 -0.047 0.000 1.103 763 F CA 0.214 58.180 58.000 -0.057 0.000 1.340 763 F CB -1.346 37.624 39.000 -0.050 0.000 1.048 763 F HN 0.213 nan 8.300 nan 0.000 0.551 764 S N 0.670 116.443 115.700 0.121 0.000 3.419 764 S HA -0.223 4.245 4.470 -0.002 0.000 0.350 764 S C 0.342 174.972 174.600 0.050 0.000 1.128 764 S CA 0.236 58.470 58.200 0.056 0.000 0.999 764 S CB -1.942 61.282 63.200 0.039 0.000 0.923 764 S HN 0.254 nan 8.310 nan 0.000 0.522 765 L N 2.337 123.603 121.223 0.072 0.000 2.315 765 L HA 0.326 4.665 4.340 -0.002 0.000 0.283 765 L C -1.019 175.861 176.870 0.016 0.000 1.089 765 L CA -1.641 53.230 54.840 0.052 0.000 0.833 765 L CB 0.132 42.238 42.059 0.079 0.000 1.170 765 L HN 0.068 nan 8.230 nan 0.000 0.442 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.097 63.100 -0.005 0.000 0.800 766 P CB 0.000 31.700 31.700 0.001 0.000 0.726