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 2bua_1_A 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 0.000 174.624 174.600 0.040 0.000 1.055 39 S CA 0.000 58.212 58.200 0.020 0.000 1.107 39 S CB 0.000 63.215 63.200 0.025 0.000 0.593 40 R N 1.605 122.142 120.500 0.061 0.000 3.073 40 R HA 0.406 4.308 4.340 -0.729 0.000 0.290 40 R C 0.281 176.630 176.300 0.081 0.000 1.130 40 R CA -0.008 56.138 56.100 0.076 0.000 1.186 40 R CB 0.191 30.546 30.300 0.092 0.000 1.166 40 R HN 0.350 nan 8.270 nan 0.000 0.563 41 R N -0.166 120.394 120.500 0.099 0.000 2.583 41 R HA 0.178 4.081 4.340 -0.729 0.000 0.268 41 R C 0.055 176.430 176.300 0.125 0.000 1.101 41 R CA -0.216 55.950 56.100 0.111 0.000 1.180 41 R CB 0.801 31.182 30.300 0.135 0.000 1.128 41 R HN 0.670 nan 8.270 nan 0.000 0.568 42 T N -2.360 112.274 114.554 0.134 0.000 2.950 42 T HA 0.205 4.118 4.350 -0.729 0.000 0.288 42 T C -0.708 174.116 174.700 0.207 0.000 1.035 42 T CA -0.718 61.475 62.100 0.155 0.000 1.028 42 T CB 0.881 69.833 68.868 0.139 0.000 1.109 42 T HN 0.468 nan 8.240 nan 0.000 0.514 43 Y N 2.879 123.231 120.300 0.087 0.000 2.480 43 Y HA 0.365 4.477 4.550 -0.730 0.000 0.341 43 Y C 0.979 177.017 175.900 0.229 0.000 1.031 43 Y CA -0.133 58.036 58.100 0.117 0.000 1.295 43 Y CB -0.053 38.422 38.460 0.025 0.000 1.162 43 Y HN 1.008 nan 8.280 nan 0.000 0.523 44 T N 2.982 117.507 114.554 -0.047 0.000 2.881 44 T HA 0.160 4.073 4.350 -0.729 0.000 0.278 44 T C 0.935 175.514 174.700 -0.202 0.000 0.982 44 T CA -0.798 61.312 62.100 0.016 0.000 0.989 44 T CB 1.283 70.149 68.868 -0.004 0.000 1.058 44 T HN 0.682 nan 8.240 nan 0.000 0.529 45 L N 1.282 122.223 121.223 -0.470 0.000 2.046 45 L HA 0.008 3.911 4.340 -0.729 0.000 0.208 45 L C 2.530 179.252 176.870 -0.246 0.000 1.077 45 L CA 2.164 56.599 54.840 -0.675 0.000 0.747 45 L CB -1.623 39.900 42.059 -0.894 0.000 0.896 45 L HN 0.960 nan 8.230 nan 0.000 0.432 46 T N -0.566 113.872 114.554 -0.193 0.000 2.788 46 T HA -0.150 3.762 4.350 -0.729 0.000 0.268 46 T C 1.508 176.133 174.700 -0.124 0.000 1.044 46 T CA 1.409 63.433 62.100 -0.127 0.000 1.139 46 T CB -0.372 68.442 68.868 -0.090 0.000 0.867 46 T HN 0.400 nan 8.240 nan 0.000 0.454 47 D N 0.102 120.403 120.400 -0.166 0.000 2.123 47 D HA -0.090 4.113 4.640 -0.729 0.000 0.196 47 D C 1.740 177.990 176.300 -0.084 0.000 0.992 47 D CA 1.052 54.950 54.000 -0.170 0.000 0.833 47 D CB -0.288 40.323 40.800 -0.315 0.000 0.954 47 D HN 0.422 nan 8.370 nan 0.000 0.455 48 Y N 1.597 121.759 120.300 -0.230 0.000 2.130 48 Y HA -0.075 4.037 4.550 -0.731 0.000 0.287 48 Y C 2.260 178.186 175.900 0.043 0.000 1.124 48 Y CA 1.133 59.252 58.100 0.033 0.000 1.118 48 Y CB -0.697 37.827 38.460 0.106 0.000 0.994 48 Y HN -0.142 nan 8.280 nan 0.000 0.497 49 L N 0.207 121.246 121.223 -0.307 0.000 2.127 49 L HA -0.227 3.675 4.340 -0.729 0.000 0.211 49 L C 1.868 178.637 176.870 -0.168 0.000 1.089 49 L CA 1.478 56.113 54.840 -0.341 0.000 0.757 49 L CB -0.507 41.429 42.059 -0.204 0.000 0.899 49 L HN 0.145 nan 8.230 nan 0.000 0.434 50 K N -0.748 119.583 120.400 -0.115 0.000 2.374 50 K HA 0.180 4.063 4.320 -0.729 0.000 0.196 50 K C 0.815 177.388 176.600 -0.045 0.000 1.023 50 K CA 0.053 56.298 56.287 -0.070 0.000 1.103 50 K CB 0.610 33.067 32.500 -0.071 0.000 0.848 50 K HN 0.041 nan 8.250 nan 0.000 0.528 51 S N 1.059 116.749 115.700 -0.017 0.000 3.614 51 S HA -0.147 3.886 4.470 -0.729 0.000 0.360 51 S C 1.249 175.871 174.600 0.036 0.000 1.023 51 S CA 1.075 59.314 58.200 0.065 0.000 1.114 51 S CB -1.746 61.482 63.200 0.047 0.000 0.907 51 S HN 0.648 nan 8.310 nan 0.000 0.470 52 T N -2.440 112.091 114.554 -0.040 0.000 2.929 52 T HA 0.018 3.930 4.350 -0.729 0.000 0.271 52 T C 0.350 174.842 174.700 -0.347 0.000 1.085 52 T CA 0.835 62.794 62.100 -0.234 0.000 1.125 52 T CB -0.353 68.278 68.868 -0.395 0.000 0.874 52 T HN 0.384 nan 8.240 nan 0.000 0.494 53 F N 2.113 122.149 119.950 0.142 0.000 2.291 53 F HA 0.583 4.672 4.527 -0.730 0.000 0.368 53 F C 0.480 176.390 175.800 0.183 0.000 1.085 53 F CA -1.554 56.559 58.000 0.189 0.000 1.165 53 F CB 0.732 39.918 39.000 0.309 0.000 1.429 53 F HN -0.131 nan 8.300 nan 0.000 0.503 54 R N 1.738 122.377 120.500 0.231 0.000 2.401 54 R HA 0.436 4.338 4.340 -0.729 0.000 0.299 54 R C -1.135 175.292 176.300 0.212 0.000 1.064 54 R CA -0.093 56.117 56.100 0.183 0.000 1.000 54 R CB 0.549 30.899 30.300 0.084 0.000 0.973 54 R HN 0.369 nan 8.270 nan 0.000 0.438 55 V N 6.253 126.313 119.914 0.242 0.000 2.350 55 V HA 0.287 3.970 4.120 -0.729 0.000 0.276 55 V C 0.213 176.433 176.094 0.211 0.000 1.028 55 V CA -0.570 61.891 62.300 0.268 0.000 0.860 55 V CB 1.215 33.264 31.823 0.376 0.000 0.990 55 V HN 0.712 nan 8.190 nan 0.000 0.453 56 K N 4.509 124.967 120.400 0.097 0.000 2.098 56 K HA 0.694 4.576 4.320 -0.729 0.000 0.257 56 K C -0.610 175.980 176.600 -0.016 0.000 0.999 56 K CA -0.173 56.047 56.287 -0.111 0.000 0.924 56 K CB 1.190 33.604 32.500 -0.143 0.000 1.028 56 K HN 0.586 nan 8.250 nan 0.000 0.466 57 F N -1.392 118.502 119.950 -0.094 0.000 2.849 57 F HA 0.525 4.614 4.527 -0.729 0.000 0.341 57 F C -1.281 174.207 175.800 -0.519 0.000 1.185 57 F CA -1.333 56.394 58.000 -0.455 0.000 1.007 57 F CB 0.775 39.687 39.000 -0.145 0.000 1.454 57 F HN 0.352 nan 8.300 nan 0.000 0.518 58 Y N 0.537 120.455 120.300 -0.637 0.000 2.317 58 Y HA 0.487 4.599 4.550 -0.729 0.000 0.329 58 Y C -1.199 174.704 175.900 0.005 0.000 1.101 58 Y CA -0.663 57.266 58.100 -0.285 0.000 1.228 58 Y CB 1.431 39.580 38.460 -0.518 0.000 1.123 58 Y HN 0.736 nan 8.280 nan 0.000 0.457 59 T N 7.189 121.864 114.554 0.201 0.000 2.744 59 T HA 0.615 4.527 4.350 -0.729 0.000 0.291 59 T C -0.786 174.005 174.700 0.150 0.000 0.957 59 T CA -0.377 61.831 62.100 0.180 0.000 1.002 59 T CB 0.303 69.270 68.868 0.165 0.000 0.919 59 T HN 0.518 nan 8.240 nan 0.000 0.468 60 L N 1.509 122.770 121.223 0.063 0.000 2.327 60 L HA 0.764 4.666 4.340 -0.729 0.000 0.258 60 L C -0.835 175.998 176.870 -0.062 0.000 1.024 60 L CA -1.055 53.771 54.840 -0.023 0.000 0.825 60 L CB 1.655 43.440 42.059 -0.456 0.000 1.386 60 L HN 0.415 nan 8.230 nan 0.000 0.417 61 Q N 0.735 120.530 119.800 -0.009 0.000 2.309 61 Q HA 0.394 4.296 4.340 -0.729 0.000 0.270 61 Q C -1.851 174.195 176.000 0.078 0.000 1.023 61 Q CA -0.288 55.552 55.803 0.062 0.000 0.758 61 Q CB 1.731 30.546 28.738 0.129 0.000 1.247 61 Q HN 0.649 nan 8.270 nan 0.000 0.455 62 W N 3.894 125.312 121.300 0.197 0.000 2.216 62 W HA 0.209 4.431 4.660 -0.729 0.000 0.326 62 W C 1.180 177.797 176.519 0.162 0.000 1.319 62 W CA -0.298 57.172 57.345 0.208 0.000 1.213 62 W CB 0.518 30.094 29.460 0.193 0.000 1.171 62 W HN 0.658 nan 8.180 nan 0.000 0.557 63 I N 0.339 121.133 120.570 0.374 0.000 4.225 63 I HA 0.397 4.129 4.170 -0.729 0.000 0.327 63 I C 0.314 176.539 176.117 0.181 0.000 1.422 63 I CA -0.201 61.227 61.300 0.214 0.000 1.150 63 I CB -0.189 37.869 38.000 0.096 0.000 1.192 63 I HN 0.277 nan 8.210 nan 0.000 0.440 64 S N 0.269 116.115 115.700 0.244 0.000 2.680 64 S HA 0.201 4.234 4.470 -0.729 0.000 0.276 64 S C -0.403 174.341 174.600 0.240 0.000 1.189 64 S CA 0.083 58.392 58.200 0.182 0.000 0.909 64 S CB 0.763 64.001 63.200 0.063 0.000 1.227 64 S HN 0.231 nan 8.310 nan 0.000 0.501 65 D N -0.057 120.499 120.400 0.261 0.000 2.349 65 D HA 0.078 4.281 4.640 -0.729 0.000 0.224 65 D C 1.062 177.638 176.300 0.460 0.000 1.029 65 D CA 1.142 55.309 54.000 0.277 0.000 0.879 65 D CB -0.420 40.527 40.800 0.245 0.000 0.906 65 D HN 0.799 nan 8.370 nan 0.000 0.528 66 H N -2.075 117.194 119.070 0.332 0.000 3.566 66 H HA 0.397 4.515 4.556 -0.729 0.000 0.259 66 H C -0.708 174.770 175.328 0.251 0.000 1.184 66 H CA -0.428 55.808 56.048 0.313 0.000 1.107 66 H CB -0.317 29.585 29.762 0.234 0.000 1.726 66 H HN 0.064 nan 8.280 nan 0.000 0.743 67 E N 1.017 121.244 120.200 0.045 0.000 2.312 67 E HA 0.489 4.401 4.350 -0.729 0.000 0.267 67 E C -1.557 175.180 176.600 0.229 0.000 0.894 67 E CA -1.241 55.148 56.400 -0.019 0.000 0.773 67 E CB 2.897 32.470 29.700 -0.211 0.000 1.241 67 E HN 0.288 nan 8.360 nan 0.000 0.432 68 Y N -0.784 119.507 120.300 -0.016 0.000 2.581 68 Y HA 0.542 4.655 4.550 -0.729 0.000 0.337 68 Y C -1.971 173.927 175.900 -0.003 0.000 1.108 68 Y CA -1.287 56.732 58.100 -0.134 0.000 1.033 68 Y CB 0.691 38.737 38.460 -0.689 0.000 1.318 68 Y HN 0.362 nan 8.280 nan 0.000 0.459 69 L N 3.431 124.812 121.223 0.263 0.000 2.343 69 L HA 0.536 4.438 4.340 -0.729 0.000 0.275 69 L C -1.306 175.855 176.870 0.486 0.000 1.056 69 L CA -1.072 53.917 54.840 0.247 0.000 0.804 69 L CB 1.604 43.728 42.059 0.109 0.000 1.203 69 L HN 0.804 nan 8.230 nan 0.000 0.440 70 Y N 2.159 122.651 120.300 0.321 0.000 2.362 70 Y HA 0.266 4.378 4.550 -0.729 0.000 0.326 70 Y C -0.606 175.405 175.900 0.185 0.000 1.083 70 Y CA -1.247 56.997 58.100 0.239 0.000 1.073 70 Y CB 1.476 40.092 38.460 0.259 0.000 1.211 70 Y HN 0.449 nan 8.280 nan 0.000 0.433 71 K N 5.424 125.554 120.400 -0.450 0.000 2.310 71 K HA 0.238 4.121 4.320 -0.729 0.000 0.290 71 K C -0.880 175.302 176.600 -0.698 0.000 1.077 71 K CA -0.225 55.846 56.287 -0.360 0.000 0.922 71 K CB 0.490 32.938 32.500 -0.086 0.000 1.057 71 K HN 0.818 nan 8.250 nan 0.000 0.479 72 Q N 4.403 123.998 119.800 -0.342 0.000 2.347 72 Q HA 0.109 4.012 4.340 -0.729 0.000 0.265 72 Q C -1.192 174.763 176.000 -0.076 0.000 1.024 72 Q CA -0.188 55.500 55.803 -0.190 0.000 0.731 72 Q CB 0.863 29.666 28.738 0.108 0.000 1.245 72 Q HN 0.778 nan 8.270 nan 0.000 0.472 73 E N 3.299 123.439 120.200 -0.099 0.000 2.553 73 E HA -0.312 3.600 4.350 -0.729 0.000 0.264 73 E C -0.459 176.102 176.600 -0.066 0.000 1.068 73 E CA 0.580 56.940 56.400 -0.067 0.000 0.774 73 E CB -1.090 28.595 29.700 -0.024 0.000 1.349 73 E HN 0.959 nan 8.360 nan 0.000 0.404 74 N N -1.382 117.249 118.700 -0.115 0.000 2.878 74 N HA -0.164 4.138 4.740 -0.729 0.000 0.247 74 N C -0.880 174.676 175.510 0.076 0.000 1.021 74 N CA 1.386 54.357 53.050 -0.132 0.000 0.873 74 N CB -0.981 37.434 38.487 -0.120 0.000 1.128 74 N HN 0.367 nan 8.380 nan 0.000 0.571 75 N N 0.472 119.196 118.700 0.040 0.000 2.361 75 N HA 0.537 4.840 4.740 -0.729 0.000 0.302 75 N C -0.160 175.377 175.510 0.046 0.000 1.074 75 N CA -0.327 52.770 53.050 0.079 0.000 0.850 75 N CB 1.420 39.930 38.487 0.037 0.000 1.228 75 N HN 0.094 nan 8.380 nan 0.000 0.491 76 I N 2.655 123.260 120.570 0.057 0.000 2.297 76 I HA 0.267 3.999 4.170 -0.729 0.000 0.291 76 I C -0.508 175.652 176.117 0.071 0.000 1.033 76 I CA -0.455 60.846 61.300 0.001 0.000 1.253 76 I CB 0.389 38.335 38.000 -0.090 0.000 1.396 76 I HN 0.245 nan 8.210 nan 0.000 0.476 77 L N 6.498 127.768 121.223 0.078 0.000 2.334 77 L HA 0.503 4.406 4.340 -0.729 0.000 0.275 77 L C -0.562 176.260 176.870 -0.081 0.000 1.036 77 L CA -0.965 53.854 54.840 -0.035 0.000 0.807 77 L CB 1.930 43.900 42.059 -0.148 0.000 1.231 77 L HN 0.418 nan 8.230 nan 0.000 0.438 78 L N 2.479 123.567 121.223 -0.226 0.000 2.277 78 L HA 0.503 4.405 4.340 -0.729 0.000 0.284 78 L C -1.041 175.582 176.870 -0.413 0.000 1.028 78 L CA 0.221 54.937 54.840 -0.208 0.000 0.835 78 L CB 0.408 42.431 42.059 -0.061 0.000 1.215 78 L HN 0.184 nan 8.230 nan 0.000 0.425 79 F N 3.558 123.241 119.950 -0.445 0.000 2.399 79 F HA 0.415 4.505 4.527 -0.729 0.000 0.334 79 F C 0.831 176.311 175.800 -0.534 0.000 1.097 79 F CA -0.342 57.305 58.000 -0.589 0.000 1.076 79 F CB 1.108 39.457 39.000 -1.085 0.000 1.162 79 F HN 0.505 nan 8.300 nan 0.000 0.495 80 N N 1.982 120.600 118.700 -0.136 0.000 2.511 80 N HA 0.271 4.573 4.740 -0.729 0.000 0.249 80 N C 0.514 175.947 175.510 -0.129 0.000 0.971 80 N CA 0.002 52.996 53.050 -0.092 0.000 0.938 80 N CB 1.661 40.169 38.487 0.034 0.000 1.131 80 N HN 0.790 nan 8.380 nan 0.000 0.505 81 A N 4.042 126.747 122.820 -0.192 0.000 1.986 81 A HA -0.201 3.681 4.320 -0.729 0.000 0.220 81 A C 1.777 179.081 177.584 -0.467 0.000 1.171 81 A CA 1.505 53.331 52.037 -0.351 0.000 0.640 81 A CB -0.255 18.341 19.000 -0.674 0.000 0.811 81 A HN 0.832 nan 8.150 nan 0.000 0.451 82 E N -1.282 118.635 120.200 -0.473 0.000 2.012 82 E HA -0.209 3.704 4.350 -0.729 0.000 0.197 82 E C 1.567 177.972 176.600 -0.325 0.000 1.007 82 E CA 1.790 57.923 56.400 -0.444 0.000 0.816 82 E CB -0.361 28.861 29.700 -0.797 0.000 0.762 82 E HN 0.845 nan 8.360 nan 0.000 0.451 83 Y N -0.848 119.464 120.300 0.020 0.000 2.466 83 Y HA 0.301 4.413 4.550 -0.729 0.000 0.272 83 Y C 1.761 177.667 175.900 0.011 0.000 1.169 83 Y CA 0.256 58.367 58.100 0.019 0.000 1.285 83 Y CB 0.214 38.687 38.460 0.022 0.000 1.078 83 Y HN 0.224 nan 8.280 nan 0.000 0.523 84 G N 0.776 109.631 108.800 0.091 0.000 2.220 84 G HA2 -0.378 3.144 3.960 -0.729 0.000 0.269 84 G HA3 -0.378 3.144 3.960 -0.729 0.000 0.269 84 G C 0.266 175.246 174.900 0.133 0.000 0.977 84 G CA 0.420 45.573 45.100 0.089 0.000 0.634 84 G HN 0.511 nan 8.290 nan 0.000 0.539 85 N N 0.764 119.540 118.700 0.127 0.000 2.525 85 N HA 0.531 4.833 4.740 -0.729 0.000 0.271 85 N C 0.021 175.513 175.510 -0.029 0.000 1.194 85 N CA 0.584 53.673 53.050 0.066 0.000 0.964 85 N CB 1.481 40.007 38.487 0.065 0.000 1.126 85 N HN 0.896 nan 8.380 nan 0.000 0.452 86 S N -0.518 115.086 115.700 -0.161 0.000 2.634 86 S HA 0.793 4.826 4.470 -0.729 0.000 0.296 86 S C -0.655 173.768 174.600 -0.295 0.000 1.104 86 S CA -0.834 57.100 58.200 -0.444 0.000 0.920 86 S CB 1.217 63.710 63.200 -1.179 0.000 1.111 86 S HN 0.919 nan 8.310 nan 0.000 0.493 87 S N 0.309 115.833 115.700 -0.293 0.000 2.569 87 S HA 0.658 4.690 4.470 -0.729 0.000 0.280 87 S C -0.669 173.851 174.600 -0.133 0.000 1.111 87 S CA -1.045 57.060 58.200 -0.158 0.000 0.887 87 S CB 0.524 63.673 63.200 -0.085 0.000 1.095 87 S HN 0.759 nan 8.310 nan 0.000 0.476 88 I N 2.454 122.975 120.570 -0.082 0.000 2.533 88 I HA 0.161 3.894 4.170 -0.729 0.000 0.284 88 I C 0.400 176.521 176.117 0.006 0.000 1.109 88 I CA -0.106 61.169 61.300 -0.041 0.000 1.412 88 I CB 0.404 38.376 38.000 -0.047 0.000 1.396 88 I HN 0.812 nan 8.210 nan 0.000 0.543 89 F N 7.499 127.387 119.950 -0.103 0.000 2.505 89 F HA 0.334 4.423 4.527 -0.729 0.000 0.289 89 F C 0.121 175.868 175.800 -0.088 0.000 1.101 89 F CA 0.156 58.103 58.000 -0.088 0.000 1.446 89 F CB 0.623 39.576 39.000 -0.079 0.000 1.123 89 F HN 0.294 nan 8.300 nan 0.000 0.564 90 L N 1.324 122.571 121.223 0.041 0.000 2.661 90 L HA 0.269 4.172 4.340 -0.729 0.000 0.263 90 L C -0.833 175.987 176.870 -0.084 0.000 0.956 90 L CA -0.448 54.342 54.840 -0.084 0.000 0.918 90 L CB 1.328 43.357 42.059 -0.051 0.000 1.280 90 L HN -0.042 nan 8.230 nan 0.000 0.416 91 E N 1.678 121.810 120.200 -0.114 0.000 2.437 91 E HA -0.037 3.876 4.350 -0.729 0.000 0.263 91 E C 0.631 177.189 176.600 -0.071 0.000 1.030 91 E CA 0.588 56.940 56.400 -0.079 0.000 0.934 91 E CB 0.624 30.275 29.700 -0.083 0.000 0.943 91 E HN 0.701 nan 8.360 nan 0.000 0.444 92 N N 0.404 119.110 118.700 0.010 0.000 2.348 92 N HA -0.172 4.131 4.740 -0.729 0.000 0.185 92 N C 0.375 175.909 175.510 0.040 0.000 1.019 92 N CA 0.975 54.083 53.050 0.096 0.000 0.880 92 N CB -0.045 38.474 38.487 0.054 0.000 0.965 92 N HN 0.217 nan 8.380 nan 0.000 0.437 93 S N -2.367 113.305 115.700 -0.046 0.000 3.965 93 S HA 0.413 4.445 4.470 -0.729 0.000 0.195 93 S C 0.017 174.527 174.600 -0.151 0.000 1.449 93 S CA -0.550 57.606 58.200 -0.074 0.000 0.965 93 S CB 0.174 63.340 63.200 -0.057 0.000 1.459 93 S HN 0.270 nan 8.310 nan 0.000 0.476 94 T N -0.371 114.037 114.554 -0.244 0.000 3.285 94 T HA 0.172 4.085 4.350 -0.729 0.000 0.263 94 T C 0.450 174.858 174.700 -0.485 0.000 0.836 94 T CA -0.209 61.656 62.100 -0.392 0.000 0.849 94 T CB -0.403 68.107 68.868 -0.597 0.000 1.252 94 T HN 0.411 nan 8.240 nan 0.000 0.617 95 F N 2.868 122.628 119.950 -0.317 0.000 2.416 95 F HA 0.117 4.207 4.527 -0.729 0.000 0.296 95 F C 2.022 177.662 175.800 -0.267 0.000 1.099 95 F CA 0.323 58.093 58.000 -0.384 0.000 1.427 95 F CB -0.367 38.440 39.000 -0.321 0.000 1.079 95 F HN 0.112 nan 8.300 nan 0.000 0.536 96 D N 0.554 120.943 120.400 -0.018 0.000 2.218 96 D HA -0.196 4.006 4.640 -0.729 0.000 0.194 96 D C 0.742 176.999 176.300 -0.071 0.000 1.007 96 D CA 1.575 55.551 54.000 -0.040 0.000 0.879 96 D CB -0.426 40.346 40.800 -0.046 0.000 0.918 96 D HN 0.396 nan 8.370 nan 0.000 0.449 97 E N 0.308 120.442 120.200 -0.110 0.000 2.914 97 E HA 0.309 4.221 4.350 -0.729 0.000 0.246 97 E C -0.401 176.083 176.600 -0.195 0.000 1.146 97 E CA -0.352 55.970 56.400 -0.131 0.000 0.803 97 E CB 0.087 29.730 29.700 -0.095 0.000 1.409 97 E HN 0.178 nan 8.360 nan 0.000 0.392 98 L N 1.677 122.727 121.223 -0.288 0.000 3.025 98 L HA 0.467 4.369 4.340 -0.729 0.000 0.307 98 L C 0.992 177.394 176.870 -0.780 0.000 1.303 98 L CA -0.077 54.491 54.840 -0.453 0.000 0.817 98 L CB 0.646 42.440 42.059 -0.443 0.000 1.227 98 L HN 0.738 nan 8.230 nan 0.000 0.571 99 G N 0.359 108.784 108.800 -0.624 0.000 3.079 99 G HA2 -0.374 3.148 3.960 -0.729 0.000 0.214 99 G HA3 -0.374 3.148 3.960 -0.729 0.000 0.214 99 G C 0.041 174.462 174.900 -0.799 0.000 1.335 99 G CA 0.607 45.170 45.100 -0.894 0.000 0.822 99 G HN 0.382 nan 8.290 nan 0.000 0.545 100 Y N -1.917 118.293 120.300 -0.150 0.000 2.035 100 Y HA 0.640 4.753 4.550 -0.728 0.000 0.227 100 Y C 0.650 176.498 175.900 -0.086 0.000 1.708 100 Y CA -0.426 57.628 58.100 -0.077 0.000 1.022 100 Y CB -0.658 37.791 38.460 -0.017 0.000 4.222 100 Y HN 0.473 nan 8.280 nan 0.000 0.218 101 S N 1.225 117.118 115.700 0.323 0.000 2.549 101 S HA 0.399 4.431 4.470 -0.729 0.000 0.283 101 S C -0.357 174.321 174.600 0.130 0.000 1.320 101 S CA -0.089 58.182 58.200 0.117 0.000 1.058 101 S CB 0.393 63.617 63.200 0.039 0.000 0.882 101 S HN 0.434 nan 8.310 nan 0.000 0.498 102 T N 4.113 118.657 114.554 -0.016 0.000 3.145 102 T HA 0.123 4.036 4.350 -0.729 0.000 0.362 102 T C 1.574 176.243 174.700 -0.052 0.000 1.340 102 T CA -0.788 61.313 62.100 0.002 0.000 1.069 102 T CB -0.128 68.691 68.868 -0.082 0.000 1.129 102 T HN 0.723 nan 8.240 nan 0.000 0.585 103 N N 1.899 120.599 118.700 -0.001 0.000 2.443 103 N HA -0.085 4.217 4.740 -0.729 0.000 0.184 103 N C -0.019 175.467 175.510 -0.040 0.000 1.037 103 N CA 0.899 53.901 53.050 -0.080 0.000 0.896 103 N CB 0.310 38.692 38.487 -0.175 0.000 0.959 103 N HN 0.435 nan 8.380 nan 0.000 0.442 104 D N -1.444 119.002 120.400 0.076 0.000 2.648 104 D HA 0.279 4.481 4.640 -0.729 0.000 0.244 104 D C -1.664 174.841 176.300 0.343 0.000 1.244 104 D CA -0.577 53.498 54.000 0.125 0.000 0.772 104 D CB 1.382 42.224 40.800 0.070 0.000 1.379 104 D HN 0.144 nan 8.370 nan 0.000 0.428 105 Y N -0.951 119.524 120.300 0.292 0.000 2.553 105 Y HA 0.770 4.883 4.550 -0.729 0.000 0.347 105 Y C -1.183 174.906 175.900 0.315 0.000 1.019 105 Y CA -0.969 57.377 58.100 0.409 0.000 1.032 105 Y CB 1.903 40.679 38.460 0.527 0.000 1.284 105 Y HN 0.129 nan 8.280 nan 0.000 0.466 106 S N 2.252 118.255 115.700 0.505 0.000 2.750 106 S HA 0.583 4.616 4.470 -0.729 0.000 0.276 106 S C -1.877 173.085 174.600 0.605 0.000 1.165 106 S CA -0.589 57.872 58.200 0.435 0.000 1.047 106 S CB 0.619 64.019 63.200 0.333 0.000 1.056 106 S HN 0.718 nan 8.310 nan 0.000 0.481 107 V N 5.215 125.395 119.914 0.444 0.000 2.498 107 V HA 0.437 4.120 4.120 -0.729 0.000 0.279 107 V C 0.884 176.913 176.094 -0.107 0.000 1.048 107 V CA -0.538 61.905 62.300 0.239 0.000 0.967 107 V CB 1.285 33.188 31.823 0.134 0.000 0.988 107 V HN 1.009 nan 8.190 nan 0.000 0.473 108 S N 6.950 122.228 115.700 -0.703 0.000 2.566 108 S HA 0.129 4.162 4.470 -0.729 0.000 0.280 108 S C -1.098 173.224 174.600 -0.464 0.000 1.343 108 S CA -0.540 56.847 58.200 -1.354 0.000 1.036 108 S CB 0.582 62.761 63.200 -1.702 0.000 0.866 108 S HN 0.676 nan 8.310 nan 0.000 0.526 109 P HA -0.122 nan 4.420 nan 0.000 0.218 109 P C 0.649 177.903 177.300 -0.077 0.000 1.149 109 P CA 1.418 64.452 63.100 -0.111 0.000 0.817 109 P CB -0.256 31.407 31.700 -0.061 0.000 0.785 110 D N -0.816 119.526 120.400 -0.096 0.000 2.349 110 D HA -0.064 4.139 4.640 -0.729 0.000 0.224 110 D C 0.685 176.963 176.300 -0.036 0.000 1.029 110 D CA -0.219 53.762 54.000 -0.032 0.000 0.879 110 D CB -0.726 40.088 40.800 0.025 0.000 0.906 110 D HN -0.005 nan 8.370 nan 0.000 0.528 111 R N -1.095 119.371 120.500 -0.055 0.000 3.953 111 R HA -0.235 3.668 4.340 -0.729 0.000 0.340 111 R C 1.097 177.355 176.300 -0.071 0.000 1.195 111 R CA 1.274 57.384 56.100 0.017 0.000 0.929 111 R CB -2.258 28.109 30.300 0.112 0.000 1.402 111 R HN 0.351 nan 8.270 nan 0.000 0.540 112 Q N -1.147 118.531 119.800 -0.204 0.000 2.354 112 Q HA 0.132 4.035 4.340 -0.729 0.000 0.203 112 Q C -0.113 175.374 176.000 -0.854 0.000 0.933 112 Q CA 0.809 56.304 55.803 -0.513 0.000 0.901 112 Q CB 0.392 28.781 28.738 -0.581 0.000 1.007 112 Q HN 0.192 nan 8.270 nan 0.000 0.495 113 F N -0.910 118.917 119.950 -0.204 0.000 2.650 113 F HA 0.557 4.647 4.527 -0.729 0.000 0.320 113 F C -0.608 175.197 175.800 0.008 0.000 1.091 113 F CA -1.169 56.771 58.000 -0.099 0.000 0.962 113 F CB 1.664 40.635 39.000 -0.048 0.000 1.363 113 F HN -0.243 nan 8.300 nan 0.000 0.482 114 I N 1.621 122.418 120.570 0.378 0.000 2.722 114 I HA 0.501 4.233 4.170 -0.729 0.000 0.295 114 I C -2.063 174.170 176.117 0.193 0.000 1.161 114 I CA -0.899 60.573 61.300 0.286 0.000 1.032 114 I CB 1.786 39.839 38.000 0.088 0.000 1.244 114 I HN 0.421 nan 8.210 nan 0.000 0.421 115 L N 7.380 128.791 121.223 0.313 0.000 2.295 115 L HA 0.539 4.442 4.340 -0.729 0.000 0.285 115 L C -1.313 175.711 176.870 0.257 0.000 1.035 115 L CA 0.079 55.039 54.840 0.199 0.000 0.806 115 L CB 1.247 43.400 42.059 0.157 0.000 1.214 115 L HN 0.363 nan 8.230 nan 0.000 0.426 116 F N 3.065 123.248 119.950 0.388 0.000 2.402 116 F HA 0.374 4.463 4.527 -0.730 0.000 0.355 116 F C 0.399 176.401 175.800 0.336 0.000 1.123 116 F CA -0.781 57.444 58.000 0.375 0.000 1.021 116 F CB 1.523 40.707 39.000 0.307 0.000 1.160 116 F HN 0.431 nan 8.300 nan 0.000 0.451 117 E N 5.016 125.477 120.200 0.436 0.000 2.174 117 E HA 0.368 4.280 4.350 -0.729 0.000 0.282 117 E C -1.541 175.139 176.600 0.133 0.000 0.992 117 E CA -0.509 55.895 56.400 0.007 0.000 0.803 117 E CB 1.204 30.936 29.700 0.053 0.000 1.090 117 E HN 0.585 nan 8.360 nan 0.000 0.396 118 Y N 1.836 122.059 120.300 -0.129 0.000 2.725 118 Y HA 0.392 4.505 4.550 -0.729 0.000 0.333 118 Y C -0.295 175.654 175.900 0.083 0.000 1.242 118 Y CA -1.386 56.736 58.100 0.037 0.000 1.059 118 Y CB 0.481 38.998 38.460 0.095 0.000 1.306 118 Y HN 0.597 nan 8.280 nan 0.000 0.454 119 N N -0.134 118.750 118.700 0.307 0.000 2.783 119 N HA -0.279 4.023 4.740 -0.729 0.000 0.247 119 N C -1.338 174.190 175.510 0.030 0.000 1.089 119 N CA 0.736 53.894 53.050 0.181 0.000 0.690 119 N CB -1.596 36.939 38.487 0.080 0.000 0.991 119 N HN 0.880 nan 8.380 nan 0.000 0.552 120 Y N -0.026 120.216 120.300 -0.095 0.000 2.632 120 Y HA 0.307 4.419 4.550 -0.730 0.000 0.329 120 Y C 0.081 175.930 175.900 -0.085 0.000 1.174 120 Y CA 0.342 58.361 58.100 -0.135 0.000 1.469 120 Y CB 0.573 38.904 38.460 -0.214 0.000 1.242 120 Y HN 0.040 nan 8.280 nan 0.000 0.540 121 V N 8.053 127.796 119.914 -0.285 0.000 2.398 121 V HA 0.178 3.861 4.120 -0.729 0.000 0.282 121 V C -0.192 175.721 176.094 -0.302 0.000 1.014 121 V CA -1.384 60.807 62.300 -0.182 0.000 0.838 121 V CB 1.161 32.920 31.823 -0.106 0.000 1.018 121 V HN 0.711 nan 8.190 nan 0.000 0.432 122 K N 3.578 123.847 120.400 -0.218 0.000 2.414 122 K HA 0.197 4.080 4.320 -0.729 0.000 0.272 122 K C 0.360 176.848 176.600 -0.187 0.000 0.993 122 K CA 0.333 56.533 56.287 -0.146 0.000 0.964 122 K CB 1.181 33.724 32.500 0.072 0.000 0.925 122 K HN 0.811 nan 8.250 nan 0.000 0.487 123 Q N 2.498 122.147 119.800 -0.251 0.000 1.989 123 Q HA 0.178 4.080 4.340 -0.729 0.000 0.166 123 Q C -0.007 175.810 176.000 -0.305 0.000 0.536 123 Q CA -0.480 54.980 55.803 -0.571 0.000 0.651 123 Q CB 0.196 28.378 28.738 -0.926 0.000 1.468 123 Q HN 0.739 nan 8.270 nan 0.000 0.350 124 W N 0.433 121.728 121.300 -0.008 0.000 1.836 124 W HA 0.382 4.602 4.660 -0.734 0.000 0.628 124 W C 1.861 178.374 176.519 -0.010 0.000 1.626 124 W CA -0.691 56.681 57.345 0.046 0.000 1.714 124 W CB -0.127 29.327 29.460 -0.010 0.000 3.166 124 W HN 0.282 nan 8.180 nan 0.000 0.772 125 R N -0.626 119.987 120.500 0.188 0.000 2.090 125 R HA -0.119 3.784 4.340 -0.729 0.000 0.228 125 R C 1.763 177.926 176.300 -0.229 0.000 1.110 125 R CA 1.585 57.628 56.100 -0.095 0.000 0.973 125 R CB -0.339 29.776 30.300 -0.309 0.000 0.869 125 R HN 0.492 nan 8.270 nan 0.000 0.440 126 H N -1.062 118.069 119.070 0.101 0.000 2.695 126 H HA 0.151 4.271 4.556 -0.727 0.000 0.267 126 H C 0.743 176.124 175.328 0.089 0.000 0.973 126 H CA 0.520 56.645 56.048 0.128 0.000 1.223 126 H CB 0.218 30.040 29.762 0.099 0.000 1.442 126 H HN 0.149 nan 8.280 nan 0.000 0.478 127 S N 1.234 116.887 115.700 -0.078 0.000 2.593 127 S HA 0.344 4.377 4.470 -0.729 0.000 0.269 127 S C -0.296 174.099 174.600 -0.341 0.000 1.334 127 S CA -0.372 57.453 58.200 -0.625 0.000 1.015 127 S CB 0.682 62.958 63.200 -1.540 0.000 0.912 127 S HN 0.459 nan 8.310 nan 0.000 0.541 128 Y N -2.780 117.302 120.300 -0.364 0.000 2.841 128 Y HA 0.562 4.673 4.550 -0.731 0.000 0.373 128 Y C -0.892 174.919 175.900 -0.149 0.000 1.170 128 Y CA -0.827 57.057 58.100 -0.360 0.000 1.196 128 Y CB 0.274 38.353 38.460 -0.635 0.000 1.433 128 Y HN 0.957 nan 8.280 nan 0.000 0.479 129 T N 0.134 114.721 114.554 0.055 0.000 2.932 129 T HA 1.035 4.947 4.350 -0.729 0.000 0.289 129 T C -0.432 174.343 174.700 0.126 0.000 1.039 129 T CA -0.067 62.099 62.100 0.111 0.000 1.024 129 T CB 1.791 70.689 68.868 0.049 0.000 1.090 129 T HN 1.963 nan 8.240 nan 0.000 0.496 130 A N 1.009 123.902 122.820 0.121 0.000 2.581 130 A HA 0.790 4.672 4.320 -0.729 0.000 0.290 130 A C -0.594 176.834 177.584 -0.259 0.000 1.119 130 A CA -0.973 51.000 52.037 -0.107 0.000 0.670 130 A CB 1.122 20.013 19.000 -0.181 0.000 1.280 130 A HN 0.862 nan 8.150 nan 0.000 0.425 131 S N -0.741 114.579 115.700 -0.635 0.000 2.593 131 S HA 0.812 4.844 4.470 -0.729 0.000 0.297 131 S C -1.592 172.462 174.600 -0.910 0.000 1.112 131 S CA -0.074 57.710 58.200 -0.694 0.000 1.043 131 S CB 0.711 63.321 63.200 -0.984 0.000 1.054 131 S HN 0.444 nan 8.310 nan 0.000 0.516 132 Y N 0.185 120.357 120.300 -0.212 0.000 2.492 132 Y HA 0.449 4.561 4.550 -0.730 0.000 0.346 132 Y C -0.442 175.543 175.900 0.140 0.000 0.997 132 Y CA -0.988 57.120 58.100 0.014 0.000 1.025 132 Y CB 1.638 40.036 38.460 -0.105 0.000 1.263 132 Y HN 0.474 nan 8.280 nan 0.000 0.454 133 D N 2.749 123.403 120.400 0.424 0.000 2.498 133 D HA 0.523 4.725 4.640 -0.729 0.000 0.247 133 D C -0.759 175.671 176.300 0.217 0.000 1.070 133 D CA -0.299 53.891 54.000 0.317 0.000 0.842 133 D CB 2.413 43.447 40.800 0.390 0.000 1.361 133 D HN 0.408 nan 8.370 nan 0.000 0.484 134 I N 1.996 122.646 120.570 0.134 0.000 2.336 134 I HA 0.239 3.972 4.170 -0.729 0.000 0.292 134 I C -0.770 175.453 176.117 0.177 0.000 0.991 134 I CA -0.944 60.426 61.300 0.116 0.000 1.227 134 I CB 1.145 39.173 38.000 0.046 0.000 1.366 134 I HN 0.228 nan 8.210 nan 0.000 0.466 135 Y N 5.533 125.831 120.300 -0.003 0.000 2.328 135 Y HA 0.257 4.370 4.550 -0.729 0.000 0.337 135 Y C -0.074 175.888 175.900 0.103 0.000 0.966 135 Y CA -0.741 57.360 58.100 0.001 0.000 1.136 135 Y CB 1.075 39.430 38.460 -0.176 0.000 1.170 135 Y HN 0.501 nan 8.280 nan 0.000 0.470 136 D N 6.667 126.911 120.400 -0.260 0.000 2.344 136 D HA 0.047 4.249 4.640 -0.729 0.000 0.253 136 D C 0.858 176.845 176.300 -0.521 0.000 1.255 136 D CA 0.430 54.260 54.000 -0.284 0.000 0.894 136 D CB 0.833 41.512 40.800 -0.202 0.000 1.067 136 D HN 0.877 nan 8.370 nan 0.000 0.492 137 L N 3.544 124.534 121.223 -0.388 0.000 2.275 137 L HA -0.144 3.759 4.340 -0.729 0.000 0.215 137 L C 2.031 178.713 176.870 -0.314 0.000 1.119 137 L CA 0.420 55.100 54.840 -0.267 0.000 0.790 137 L CB -0.249 41.663 42.059 -0.245 0.000 0.919 137 L HN 0.360 nan 8.230 nan 0.000 0.443 138 N N 1.311 119.781 118.700 -0.383 0.000 2.131 138 N HA -0.132 4.170 4.740 -0.729 0.000 0.190 138 N C 1.510 176.876 175.510 -0.239 0.000 1.055 138 N CA 1.281 54.155 53.050 -0.294 0.000 0.853 138 N CB -0.281 38.023 38.487 -0.305 0.000 1.035 138 N HN 0.384 nan 8.380 nan 0.000 0.440 139 K N 1.683 121.935 120.400 -0.246 0.000 2.611 139 K HA 0.120 4.002 4.320 -0.729 0.000 0.193 139 K C -0.221 176.240 176.600 -0.231 0.000 1.026 139 K CA 0.065 56.234 56.287 -0.196 0.000 1.063 139 K CB -0.122 32.281 32.500 -0.162 0.000 0.839 139 K HN 0.056 nan 8.250 nan 0.000 0.505 140 R N 1.398 121.718 120.500 -0.300 0.000 3.211 140 R HA -0.226 3.677 4.340 -0.729 0.000 0.240 140 R C -0.622 175.417 176.300 -0.436 0.000 0.915 140 R CA 0.886 56.781 56.100 -0.341 0.000 0.621 140 R CB -1.682 28.567 30.300 -0.085 0.000 1.008 140 R HN 0.632 nan 8.270 nan 0.000 0.471 141 Q N -0.209 119.229 119.800 -0.604 0.000 2.712 141 Q HA 0.673 4.575 4.340 -0.729 0.000 0.267 141 Q C -0.459 175.236 176.000 -0.509 0.000 1.062 141 Q CA -1.098 54.473 55.803 -0.387 0.000 0.888 141 Q CB 1.585 30.202 28.738 -0.202 0.000 1.374 141 Q HN 0.261 nan 8.270 nan 0.000 0.498 142 L N 1.687 122.829 121.223 -0.136 0.000 2.342 142 L HA 0.403 4.305 4.340 -0.729 0.000 0.276 142 L C -1.232 175.649 176.870 0.019 0.000 0.997 142 L CA -0.945 53.912 54.840 0.029 0.000 0.838 142 L CB 0.987 43.154 42.059 0.181 0.000 1.224 142 L HN 0.536 nan 8.230 nan 0.000 0.416 143 I N 4.201 124.787 120.570 0.027 0.000 2.919 143 I HA -0.097 3.636 4.170 -0.729 0.000 0.299 143 I C 1.581 177.709 176.117 0.018 0.000 1.221 143 I CA 1.037 62.347 61.300 0.018 0.000 1.424 143 I CB 0.928 38.935 38.000 0.012 0.000 1.358 143 I HN 0.735 nan 8.210 nan 0.000 0.551 144 T N 1.665 116.220 114.554 0.003 0.000 2.978 144 T HA 0.148 4.060 4.350 -0.729 0.000 0.248 144 T C 0.512 175.204 174.700 -0.014 0.000 1.018 144 T CA -0.368 61.732 62.100 -0.000 0.000 1.026 144 T CB 0.024 68.891 68.868 -0.001 0.000 1.032 144 T HN 0.583 nan 8.240 nan 0.000 0.485 145 E N 1.953 122.142 120.200 -0.018 0.000 2.283 145 E HA 0.215 4.127 4.350 -0.729 0.000 0.271 145 E C -0.678 175.900 176.600 -0.037 0.000 1.031 145 E CA -0.509 55.876 56.400 -0.025 0.000 0.868 145 E CB 0.706 30.395 29.700 -0.018 0.000 1.094 145 E HN 0.136 nan 8.360 nan 0.000 0.401 146 E N 0.894 121.066 120.200 -0.047 0.000 2.252 146 E HA -0.209 3.704 4.350 -0.729 0.000 0.218 146 E C -0.446 176.100 176.600 -0.088 0.000 1.253 146 E CA 0.656 57.019 56.400 -0.062 0.000 0.705 146 E CB -1.269 28.406 29.700 -0.042 0.000 1.172 146 E HN 0.558 nan 8.360 nan 0.000 0.369 147 R N -0.307 120.132 120.500 -0.102 0.000 2.726 147 R HA 0.426 4.328 4.340 -0.729 0.000 0.272 147 R C 1.164 177.330 176.300 -0.223 0.000 1.097 147 R CA -0.564 55.462 56.100 -0.124 0.000 1.198 147 R CB 0.515 30.765 30.300 -0.083 0.000 1.114 147 R HN 0.094 nan 8.270 nan 0.000 0.550 148 I N 2.692 123.101 120.570 -0.268 0.000 2.441 148 I HA 0.114 3.847 4.170 -0.729 0.000 0.287 148 I C -1.752 174.096 176.117 -0.448 0.000 1.049 148 I CA -1.914 59.090 61.300 -0.493 0.000 1.381 148 I CB 0.764 38.465 38.000 -0.498 0.000 1.409 148 I HN 0.267 nan 8.210 nan 0.000 0.523 149 P HA -0.036 nan 4.420 nan 0.000 0.271 149 P C -0.840 176.281 177.300 -0.300 0.000 1.228 149 P CA -0.082 62.633 63.100 -0.643 0.000 0.797 149 P CB 0.391 31.263 31.700 -1.380 0.000 0.914 150 N N 1.603 120.219 118.700 -0.140 0.000 2.509 150 N HA 0.200 4.502 4.740 -0.729 0.000 0.287 150 N C -0.255 175.379 175.510 0.206 0.000 1.121 150 N CA -0.069 52.991 53.050 0.017 0.000 0.977 150 N CB -0.091 38.420 38.487 0.039 0.000 1.167 150 N HN 0.326 nan 8.380 nan 0.000 0.476 151 N N -0.472 118.319 118.700 0.152 0.000 2.815 151 N HA -0.164 4.138 4.740 -0.729 0.000 0.249 151 N C -1.061 174.628 175.510 0.300 0.000 1.114 151 N CA 0.570 53.734 53.050 0.190 0.000 0.717 151 N CB -1.883 36.718 38.487 0.189 0.000 1.074 151 N HN 0.464 nan 8.380 nan 0.000 0.555 152 T N 0.937 115.664 114.554 0.289 0.000 2.834 152 T HA 0.099 4.011 4.350 -0.729 0.000 0.298 152 T C 1.721 176.588 174.700 0.278 0.000 0.966 152 T CA 0.123 62.411 62.100 0.313 0.000 1.141 152 T CB 1.188 70.155 68.868 0.166 0.000 0.905 152 T HN 0.163 nan 8.240 nan 0.000 0.535 153 Q N 2.056 122.011 119.800 0.259 0.000 2.212 153 Q HA 0.114 4.017 4.340 -0.729 0.000 0.199 153 Q C 0.206 176.375 176.000 0.283 0.000 0.950 153 Q CA 0.609 56.570 55.803 0.263 0.000 0.863 153 Q CB 0.588 29.443 28.738 0.195 0.000 0.944 153 Q HN 0.696 nan 8.270 nan 0.000 0.465 154 W N -0.365 120.928 121.300 -0.011 0.000 3.464 154 W HA 0.530 4.752 4.660 -0.730 0.000 0.292 154 W C -2.316 174.152 176.519 -0.085 0.000 1.262 154 W CA -0.721 56.578 57.345 -0.077 0.000 1.202 154 W CB 1.040 30.401 29.460 -0.166 0.000 1.334 154 W HN -0.091 nan 8.180 nan 0.000 0.561 155 I N 4.002 123.968 120.570 -1.007 0.000 2.841 155 I HA 0.609 4.342 4.170 -0.729 0.000 0.298 155 I C -1.661 173.975 176.117 -0.802 0.000 1.304 155 I CA -0.029 60.843 61.300 -0.714 0.000 1.019 155 I CB 2.540 40.022 38.000 -0.862 0.000 1.282 155 I HN 0.363 nan 8.210 nan 0.000 0.432 156 T N 4.608 118.957 114.554 -0.342 0.000 3.047 156 T HA 0.410 4.323 4.350 -0.729 0.000 0.340 156 T C -1.620 173.103 174.700 0.038 0.000 1.421 156 T CA -0.303 61.726 62.100 -0.120 0.000 1.090 156 T CB 0.613 69.617 68.868 0.226 0.000 1.292 156 T HN 0.553 nan 8.240 nan 0.000 0.480 157 W N 2.698 124.028 121.300 0.049 0.000 2.086 157 W HA 0.492 4.715 4.660 -0.728 0.000 0.355 157 W C 1.217 177.574 176.519 -0.270 0.000 1.313 157 W CA -0.549 56.761 57.345 -0.057 0.000 1.358 157 W CB 0.564 30.002 29.460 -0.037 0.000 1.166 157 W HN 0.785 nan 8.180 nan 0.000 0.630 158 S N 0.495 115.955 115.700 -0.399 0.000 2.632 158 S HA 0.217 4.249 4.470 -0.729 0.000 0.267 158 S C -1.956 172.438 174.600 -0.344 0.000 1.276 158 S CA -1.066 56.469 58.200 -1.108 0.000 0.998 158 S CB 0.928 63.236 63.200 -1.487 0.000 0.953 158 S HN 0.240 nan 8.310 nan 0.000 0.547 159 P HA 0.016 nan 4.420 nan 0.000 0.222 159 P C 0.274 177.539 177.300 -0.060 0.000 1.147 159 P CA 0.834 63.912 63.100 -0.037 0.000 0.790 159 P CB -0.137 31.575 31.700 0.019 0.000 0.780 160 V N -7.164 112.666 119.914 -0.140 0.000 3.160 160 V HA 0.882 4.565 4.120 -0.729 0.000 0.310 160 V C 0.477 176.464 176.094 -0.179 0.000 1.181 160 V CA -0.407 61.822 62.300 -0.118 0.000 1.047 160 V CB 1.043 32.812 31.823 -0.091 0.000 1.068 160 V HN 0.355 nan 8.190 nan 0.000 0.441 161 G N 1.570 110.282 108.800 -0.147 0.000 2.564 161 G HA2 -0.196 3.326 3.960 -0.729 0.000 0.273 161 G HA3 -0.196 3.326 3.960 -0.729 0.000 0.273 161 G C 0.236 175.028 174.900 -0.180 0.000 1.242 161 G CA 0.836 45.812 45.100 -0.207 0.000 0.951 161 G HN 2.566 nan 8.290 nan 0.000 0.564 162 H N -0.539 118.488 119.070 -0.071 0.000 2.885 162 H HA 0.430 4.548 4.556 -0.729 0.000 0.237 162 H C 0.396 175.853 175.328 0.215 0.000 1.229 162 H CA -0.147 55.881 56.048 -0.035 0.000 0.947 162 H CB -0.154 29.614 29.762 0.009 0.000 2.223 162 H HN 0.516 nan 8.280 nan 0.000 0.628 163 K N 1.446 121.857 120.400 0.019 0.000 2.180 163 K HA 0.517 4.399 4.320 -0.729 0.000 0.251 163 K C -0.376 176.333 176.600 0.181 0.000 1.014 163 K CA -0.370 55.934 56.287 0.027 0.000 0.913 163 K CB 1.447 33.800 32.500 -0.245 0.000 1.008 163 K HN 0.125 nan 8.250 nan 0.000 0.490 164 L N 0.545 121.876 121.223 0.179 0.000 2.422 164 L HA 0.584 4.487 4.340 -0.729 0.000 0.264 164 L C -1.188 175.869 176.870 0.311 0.000 0.984 164 L CA -0.855 54.055 54.840 0.117 0.000 0.819 164 L CB 2.238 44.213 42.059 -0.140 0.000 1.330 164 L HN 0.724 nan 8.230 nan 0.000 0.410 165 A N 2.320 125.338 122.820 0.330 0.000 2.393 165 A HA 0.876 4.759 4.320 -0.729 0.000 0.306 165 A C -1.727 175.934 177.584 0.127 0.000 1.050 165 A CA -0.388 51.761 52.037 0.188 0.000 0.724 165 A CB 1.464 20.539 19.000 0.125 0.000 1.248 165 A HN 0.669 nan 8.150 nan 0.000 0.424 166 Y N -0.897 119.395 120.300 -0.013 0.000 2.609 166 Y HA 0.738 4.850 4.550 -0.730 0.000 0.336 166 Y C -1.399 174.545 175.900 0.073 0.000 1.129 166 Y CA -1.534 56.545 58.100 -0.035 0.000 1.040 166 Y CB 0.981 39.347 38.460 -0.157 0.000 1.310 166 Y HN 0.441 nan 8.280 nan 0.000 0.460 167 V N 2.157 122.245 119.914 0.289 0.000 2.459 167 V HA 0.397 4.079 4.120 -0.729 0.000 0.295 167 V C -1.443 174.894 176.094 0.405 0.000 1.029 167 V CA -0.560 61.876 62.300 0.226 0.000 0.874 167 V CB 1.336 33.203 31.823 0.073 0.000 0.985 167 V HN 0.868 nan 8.190 nan 0.000 0.438 168 W N 5.134 126.560 121.300 0.210 0.000 3.042 168 W HA 0.465 4.688 4.660 -0.728 0.000 0.337 168 W C 0.234 176.824 176.519 0.118 0.000 1.086 168 W CA -0.756 56.679 57.345 0.150 0.000 1.236 168 W CB 1.187 30.709 29.460 0.103 0.000 1.381 168 W HN 0.784 nan 8.180 nan 0.000 0.472 169 N N 5.353 123.691 118.700 -0.603 0.000 2.735 169 N HA -0.343 3.959 4.740 -0.729 0.000 0.248 169 N C 0.142 175.479 175.510 -0.289 0.000 1.083 169 N CA 1.088 53.773 53.050 -0.609 0.000 0.703 169 N CB -1.157 36.708 38.487 -1.037 0.000 1.005 169 N HN 0.875 nan 8.380 nan 0.000 0.550 170 N N -1.594 117.007 118.700 -0.165 0.000 2.800 170 N HA -0.170 4.132 4.740 -0.729 0.000 0.250 170 N C -1.389 174.046 175.510 -0.126 0.000 1.078 170 N CA 1.042 54.016 53.050 -0.127 0.000 0.804 170 N CB -0.280 38.078 38.487 -0.215 0.000 1.135 170 N HN 0.416 nan 8.380 nan 0.000 0.565 171 D N 0.303 120.644 120.400 -0.098 0.000 2.433 171 D HA 0.494 4.697 4.640 -0.729 0.000 0.236 171 D C 0.074 176.223 176.300 -0.251 0.000 1.026 171 D CA -0.377 53.484 54.000 -0.232 0.000 0.884 171 D CB 1.664 42.273 40.800 -0.319 0.000 1.384 171 D HN 0.014 nan 8.370 nan 0.000 0.477 172 I N 1.323 121.572 120.570 -0.536 0.000 2.428 172 I HA 0.288 4.020 4.170 -0.729 0.000 0.296 172 I C -0.760 174.871 176.117 -0.810 0.000 0.985 172 I CA -0.530 60.443 61.300 -0.545 0.000 1.260 172 I CB 0.686 38.290 38.000 -0.660 0.000 1.389 172 I HN 0.160 nan 8.210 nan 0.000 0.484 173 Y N 3.787 123.697 120.300 -0.650 0.000 2.512 173 Y HA 0.630 4.742 4.550 -0.730 0.000 0.348 173 Y C -0.414 175.137 175.900 -0.582 0.000 0.990 173 Y CA -0.925 56.742 58.100 -0.721 0.000 1.033 173 Y CB 2.132 39.887 38.460 -1.175 0.000 1.259 173 Y HN 0.111 nan 8.280 nan 0.000 0.461 174 V N 2.869 122.672 119.914 -0.186 0.000 2.588 174 V HA 0.487 4.170 4.120 -0.729 0.000 0.304 174 V C -0.893 175.233 176.094 0.053 0.000 1.042 174 V CA -1.410 60.873 62.300 -0.029 0.000 0.877 174 V CB 2.003 33.830 31.823 0.008 0.000 0.996 174 V HN 0.621 nan 8.190 nan 0.000 0.425 175 K N 3.214 123.685 120.400 0.117 0.000 2.450 175 K HA 0.450 4.332 4.320 -0.729 0.000 0.257 175 K C 0.454 177.121 176.600 0.110 0.000 0.953 175 K CA -0.343 56.005 56.287 0.103 0.000 0.844 175 K CB 1.713 34.269 32.500 0.094 0.000 1.103 175 K HN 0.616 nan 8.250 nan 0.000 0.429 176 N N 1.368 120.123 118.700 0.092 0.000 2.354 176 N HA -0.076 4.227 4.740 -0.729 0.000 0.179 176 N C -0.391 175.184 175.510 0.108 0.000 1.021 176 N CA 0.766 53.866 53.050 0.083 0.000 0.887 176 N CB 0.421 38.946 38.487 0.063 0.000 0.974 176 N HN 0.435 nan 8.380 nan 0.000 0.437 177 E N -0.644 119.608 120.200 0.088 0.000 2.292 177 E HA 0.185 4.098 4.350 -0.729 0.000 0.272 177 E C -2.027 174.543 176.600 -0.050 0.000 0.881 177 E CA -1.890 54.550 56.400 0.066 0.000 0.754 177 E CB 1.981 31.721 29.700 0.066 0.000 1.201 177 E HN -0.146 nan 8.360 nan 0.000 0.425 178 P HA -0.186 nan 4.420 nan 0.000 0.217 178 P C 0.837 178.051 177.300 -0.143 0.000 1.148 178 P CA 1.384 64.320 63.100 -0.274 0.000 0.828 178 P CB 0.316 31.618 31.700 -0.663 0.000 0.783 179 N N -1.970 116.673 118.700 -0.096 0.000 2.299 179 N HA -0.002 4.300 4.740 -0.729 0.000 0.187 179 N C 0.363 175.860 175.510 -0.021 0.000 1.099 179 N CA 0.339 53.363 53.050 -0.042 0.000 0.867 179 N CB -0.116 38.362 38.487 -0.015 0.000 0.974 179 N HN 0.106 nan 8.380 nan 0.000 0.477 180 L N 1.432 122.647 121.223 -0.013 0.000 2.416 180 L HA 0.301 4.203 4.340 -0.729 0.000 0.262 180 L C 0.439 177.313 176.870 0.007 0.000 1.093 180 L CA -0.307 54.537 54.840 0.006 0.000 0.801 180 L CB 1.446 43.519 42.059 0.023 0.000 1.191 180 L HN 0.001 nan 8.230 nan 0.000 0.459 181 S N 0.729 116.438 115.700 0.015 0.000 2.549 181 S HA 0.113 4.145 4.470 -0.729 0.000 0.283 181 S C 0.380 175.004 174.600 0.040 0.000 1.320 181 S CA -0.509 57.702 58.200 0.019 0.000 1.058 181 S CB 0.653 63.867 63.200 0.023 0.000 0.882 181 S HN 0.685 nan 8.310 nan 0.000 0.498 182 S N 2.350 118.082 115.700 0.055 0.000 2.603 182 S HA 0.358 4.391 4.470 -0.729 0.000 0.268 182 S C -0.420 174.231 174.600 0.085 0.000 1.317 182 S CA -0.714 57.538 58.200 0.087 0.000 1.012 182 S CB 0.720 64.007 63.200 0.144 0.000 0.926 182 S HN 0.662 nan 8.310 nan 0.000 0.539 183 Q N 0.852 120.681 119.800 0.048 0.000 2.322 183 Q HA 0.372 4.274 4.340 -0.729 0.000 0.265 183 Q C -0.565 175.351 176.000 -0.139 0.000 0.985 183 Q CA -0.482 55.322 55.803 0.002 0.000 0.849 183 Q CB 1.252 29.990 28.738 0.001 0.000 1.274 183 Q HN 0.730 nan 8.270 nan 0.000 0.449 184 R N 4.813 125.162 120.500 -0.252 0.000 2.347 184 R HA 0.141 4.044 4.340 -0.729 0.000 0.304 184 R C 0.181 176.101 176.300 -0.633 0.000 1.072 184 R CA -0.082 55.552 56.100 -0.776 0.000 0.980 184 R CB 0.466 30.113 30.300 -1.089 0.000 0.986 184 R HN 0.784 nan 8.270 nan 0.000 0.448 185 I N 2.038 122.166 120.570 -0.736 0.000 3.081 185 I HA -0.028 3.704 4.170 -0.729 0.000 0.274 185 I C 1.118 176.938 176.117 -0.496 0.000 1.178 185 I CA 0.966 61.971 61.300 -0.492 0.000 1.460 185 I CB -0.420 37.277 38.000 -0.505 0.000 1.137 185 I HN 0.601 nan 8.210 nan 0.000 0.443 186 T N -3.952 110.143 114.554 -0.764 0.000 2.906 186 T HA 0.405 4.318 4.350 -0.729 0.000 0.295 186 T C -0.651 173.573 174.700 -0.793 0.000 1.061 186 T CA -0.544 61.221 62.100 -0.559 0.000 1.000 186 T CB 1.866 70.461 68.868 -0.455 0.000 1.103 186 T HN 0.144 nan 8.240 nan 0.000 0.486 187 W N 0.037 121.228 121.300 -0.182 0.000 2.714 187 W HA 0.220 4.443 4.660 -0.729 0.000 0.353 187 W C 2.059 178.521 176.519 -0.094 0.000 0.999 187 W CA 0.078 57.348 57.345 -0.125 0.000 1.629 187 W CB -0.038 29.365 29.460 -0.094 0.000 1.106 187 W HN 0.899 nan 8.180 nan 0.000 0.545 188 T N -2.162 112.426 114.554 0.056 0.000 3.088 188 T HA 0.210 4.122 4.350 -0.729 0.000 0.259 188 T C 1.380 176.064 174.700 -0.026 0.000 1.122 188 T CA 0.365 62.483 62.100 0.030 0.000 1.095 188 T CB -0.452 68.436 68.868 0.034 0.000 0.930 188 T HN 0.037 nan 8.240 nan 0.000 0.508 189 G N 1.323 110.075 108.800 -0.080 0.000 2.187 189 G HA2 0.275 3.798 3.960 -0.729 0.000 0.239 189 G HA3 0.275 3.798 3.960 -0.729 0.000 0.239 189 G C -0.528 174.296 174.900 -0.126 0.000 1.200 189 G CA -0.274 44.752 45.100 -0.124 0.000 0.888 189 G HN 0.617 nan 8.290 nan 0.000 0.482 190 K N 1.814 122.109 120.400 -0.176 0.000 2.575 190 K HA 0.159 4.041 4.320 -0.729 0.000 0.255 190 K C -0.304 176.154 176.600 -0.235 0.000 0.953 190 K CA -0.681 55.510 56.287 -0.160 0.000 0.840 190 K CB 1.534 33.977 32.500 -0.094 0.000 1.303 190 K HN 0.645 nan 8.250 nan 0.000 0.438 191 E N 3.489 123.572 120.200 -0.196 0.000 2.652 191 E HA -0.150 3.762 4.350 -0.729 0.000 0.255 191 E C -0.386 176.132 176.600 -0.136 0.000 0.952 191 E CA 1.139 57.429 56.400 -0.183 0.000 0.947 191 E CB -0.006 29.626 29.700 -0.113 0.000 0.912 191 E HN 0.762 nan 8.360 nan 0.000 0.489 192 N N 1.669 120.292 118.700 -0.129 0.000 2.753 192 N HA -0.260 4.042 4.740 -0.729 0.000 0.251 192 N C 0.018 175.577 175.510 0.081 0.000 1.097 192 N CA 0.488 53.582 53.050 0.072 0.000 0.786 192 N CB -0.460 38.082 38.487 0.091 0.000 1.137 192 N HN 0.304 nan 8.380 nan 0.000 0.566 193 V N -1.090 118.783 119.914 -0.069 0.000 3.442 193 V HA 0.274 3.957 4.120 -0.729 0.000 0.205 193 V C 0.171 176.300 176.094 0.059 0.000 1.320 193 V CA 0.372 62.694 62.300 0.038 0.000 1.306 193 V CB 0.700 32.526 31.823 0.004 0.000 1.267 193 V HN 0.079 nan 8.190 nan 0.000 0.538 194 I N 0.965 121.471 120.570 -0.108 0.000 2.406 194 I HA 0.481 4.214 4.170 -0.729 0.000 0.290 194 I C -1.512 174.518 176.117 -0.144 0.000 0.999 194 I CA -0.538 60.762 61.300 -0.000 0.000 1.124 194 I CB 1.236 39.240 38.000 0.008 0.000 1.289 194 I HN 0.241 nan 8.210 nan 0.000 0.441 195 Y N 4.501 124.874 120.300 0.122 0.000 2.326 195 Y HA 0.412 4.523 4.550 -0.731 0.000 0.331 195 Y C 0.263 176.225 175.900 0.103 0.000 0.962 195 Y CA -0.812 57.362 58.100 0.123 0.000 1.167 195 Y CB 1.259 39.846 38.460 0.212 0.000 1.148 195 Y HN 0.405 nan 8.280 nan 0.000 0.463 196 N N 2.187 120.963 118.700 0.126 0.000 2.446 196 N HA 0.395 4.698 4.740 -0.729 0.000 0.265 196 N C 0.768 176.254 175.510 -0.041 0.000 0.975 196 N CA 0.413 53.493 53.050 0.050 0.000 0.928 196 N CB 1.871 40.281 38.487 -0.130 0.000 1.160 196 N HN 0.982 nan 8.380 nan 0.000 0.495 197 G N 0.500 109.315 108.800 0.026 0.000 2.217 197 G HA2 -0.269 3.254 3.960 -0.729 0.000 0.246 197 G HA3 -0.269 3.254 3.960 -0.729 0.000 0.246 197 G C -0.047 174.740 174.900 -0.188 0.000 0.990 197 G CA 0.559 45.592 45.100 -0.113 0.000 0.627 197 G HN 0.689 nan 8.290 nan 0.000 0.522 198 V N -1.643 118.206 119.914 -0.107 0.000 3.078 198 V HA 0.921 4.603 4.120 -0.729 0.000 0.311 198 V C 0.351 176.411 176.094 -0.057 0.000 1.138 198 V CA -0.043 62.065 62.300 -0.321 0.000 1.007 198 V CB 1.383 32.735 31.823 -0.784 0.000 1.045 198 V HN 1.142 nan 8.190 nan 0.000 0.432 199 T N 0.026 114.449 114.554 -0.219 0.000 2.882 199 T HA 0.461 4.374 4.350 -0.729 0.000 0.287 199 T C -0.089 174.282 174.700 -0.548 0.000 1.014 199 T CA -0.116 61.641 62.100 -0.572 0.000 1.049 199 T CB 1.009 69.566 68.868 -0.518 0.000 1.001 199 T HN 1.090 nan 8.240 nan 0.000 0.525 200 D N 0.182 120.014 120.400 -0.947 0.000 2.478 200 D HA 0.030 4.233 4.640 -0.729 0.000 0.274 200 D C 0.960 177.069 176.300 -0.318 0.000 1.234 200 D CA -1.080 52.382 54.000 -0.898 0.000 1.069 200 D CB 0.052 40.358 40.800 -0.824 0.000 1.113 200 D HN 0.691 nan 8.370 nan 0.000 0.571 201 W N 0.024 121.190 121.300 -0.224 0.000 2.333 201 W HA -0.200 4.028 4.660 -0.719 0.000 0.316 201 W C 2.155 178.518 176.519 -0.261 0.000 1.215 201 W CA 2.184 59.412 57.345 -0.195 0.000 1.278 201 W CB -0.459 28.840 29.460 -0.268 0.000 1.154 201 W HN 0.179 nan 8.180 nan 0.000 0.486 202 V N -0.162 119.715 119.914 -0.061 0.000 2.515 202 V HA -0.281 3.401 4.120 -0.729 0.000 0.250 202 V C 1.838 177.664 176.094 -0.446 0.000 1.058 202 V CA 1.892 64.051 62.300 -0.235 0.000 1.064 202 V CB -0.702 31.048 31.823 -0.122 0.000 0.675 202 V HN 0.274 nan 8.190 nan 0.000 0.461 203 Y N 0.476 120.449 120.300 -0.544 0.000 2.314 203 Y HA -0.116 3.995 4.550 -0.730 0.000 0.293 203 Y C 2.551 178.137 175.900 -0.523 0.000 1.129 203 Y CA 1.934 59.644 58.100 -0.650 0.000 1.201 203 Y CB -0.019 37.776 38.460 -1.109 0.000 0.999 203 Y HN 0.366 nan 8.280 nan 0.000 0.541 204 E N 0.198 120.193 120.200 -0.342 0.000 2.047 204 E HA -0.267 3.646 4.350 -0.729 0.000 0.191 204 E C 1.975 178.452 176.600 -0.205 0.000 0.987 204 E CA 1.460 57.739 56.400 -0.203 0.000 0.799 204 E CB 0.060 29.663 29.700 -0.162 0.000 0.752 204 E HN 0.360 nan 8.360 nan 0.000 0.449 205 E N 0.258 120.147 120.200 -0.519 0.000 2.076 205 E HA -0.143 3.770 4.350 -0.729 0.000 0.190 205 E C 1.658 178.103 176.600 -0.259 0.000 0.979 205 E CA 1.437 57.548 56.400 -0.482 0.000 0.807 205 E CB 0.179 29.247 29.700 -1.052 0.000 0.761 205 E HN 0.212 nan 8.360 nan 0.000 0.454 206 E N -0.792 119.230 120.200 -0.297 0.000 2.340 206 E HA 0.088 4.000 4.350 -0.729 0.000 0.198 206 E C 1.896 178.393 176.600 -0.171 0.000 0.961 206 E CA 0.481 56.776 56.400 -0.174 0.000 0.905 206 E CB 0.729 30.318 29.700 -0.186 0.000 0.884 206 E HN 0.195 nan 8.360 nan 0.000 0.491 207 V N 0.080 119.849 119.914 -0.241 0.000 2.599 207 V HA 0.018 3.700 4.120 -0.729 0.000 0.237 207 V C 1.708 177.960 176.094 0.263 0.000 1.081 207 V CA 0.786 63.022 62.300 -0.108 0.000 1.107 207 V CB -0.288 31.297 31.823 -0.397 0.000 0.808 207 V HN 0.028 nan 8.190 nan 0.000 0.486 208 F N 0.693 120.616 119.950 -0.044 0.000 2.569 208 F HA 0.272 4.362 4.527 -0.728 0.000 0.295 208 F C 1.726 177.477 175.800 -0.082 0.000 1.115 208 F CA 0.104 58.104 58.000 0.001 0.000 1.450 208 F CB -0.810 38.224 39.000 0.058 0.000 1.107 208 F HN 0.159 nan 8.300 nan 0.000 0.563 209 S N -0.021 115.716 115.700 0.061 0.000 3.641 209 S HA 0.019 4.052 4.470 -0.729 0.000 0.346 209 S C 0.129 174.397 174.600 -0.554 0.000 1.074 209 S CA 0.482 58.599 58.200 -0.138 0.000 1.026 209 S CB -1.721 61.438 63.200 -0.068 0.000 0.908 209 S HN 0.680 nan 8.310 nan 0.000 0.479 210 A N -0.704 121.965 122.820 -0.252 0.000 2.601 210 A HA 0.712 4.595 4.320 -0.729 0.000 0.291 210 A C -0.400 177.201 177.584 0.029 0.000 1.075 210 A CA -0.422 51.492 52.037 -0.206 0.000 0.671 210 A CB 0.281 19.203 19.000 -0.129 0.000 1.277 210 A HN 0.387 nan 8.150 nan 0.000 0.417 211 Y N 1.140 121.339 120.300 -0.169 0.000 2.476 211 Y HA 0.259 4.373 4.550 -0.727 0.000 0.283 211 Y C 1.516 177.217 175.900 -0.333 0.000 1.109 211 Y CA 0.817 58.814 58.100 -0.173 0.000 1.246 211 Y CB 0.035 38.432 38.460 -0.104 0.000 1.068 211 Y HN 0.707 nan 8.280 nan 0.000 0.552 212 S N 0.712 116.032 115.700 -0.632 0.000 2.549 212 S HA 0.409 4.441 4.470 -0.729 0.000 0.286 212 S C 0.380 174.645 174.600 -0.559 0.000 1.314 212 S CA 0.336 57.870 58.200 -1.110 0.000 1.062 212 S CB 0.442 62.634 63.200 -1.679 0.000 0.865 212 S HN 0.468 nan 8.310 nan 0.000 0.498 213 A N 5.311 127.733 122.820 -0.663 0.000 2.709 213 A HA 0.480 4.363 4.320 -0.729 0.000 0.241 213 A C -0.539 176.398 177.584 -1.078 0.000 0.879 213 A CA -0.466 51.217 52.037 -0.590 0.000 1.120 213 A CB 0.044 19.078 19.000 0.056 0.000 1.226 213 A HN 0.698 nan 8.150 nan 0.000 0.468 214 L N 0.332 120.785 121.223 -1.282 0.000 2.381 214 L HA 0.647 4.550 4.340 -0.729 0.000 0.268 214 L C -1.211 175.143 176.870 -0.860 0.000 0.997 214 L CA -0.606 53.765 54.840 -0.782 0.000 0.818 214 L CB 2.011 43.866 42.059 -0.340 0.000 1.310 214 L HN 0.438 nan 8.230 nan 0.000 0.416 215 W N 2.251 123.630 121.300 0.132 0.000 2.740 215 W HA 0.202 4.424 4.660 -0.729 0.000 0.316 215 W C -1.128 175.605 176.519 0.357 0.000 1.020 215 W CA -1.096 56.434 57.345 0.309 0.000 1.278 215 W CB 1.073 30.775 29.460 0.403 0.000 1.224 215 W HN 0.480 nan 8.180 nan 0.000 0.393 216 W N 2.375 123.877 121.300 0.337 0.000 2.150 216 W HA 0.234 4.456 4.660 -0.729 0.000 0.341 216 W C 1.328 177.655 176.519 -0.321 0.000 1.276 216 W CA 0.526 57.923 57.345 0.086 0.000 1.238 216 W CB 0.803 30.299 29.460 0.059 0.000 1.128 216 W HN 0.169 nan 8.180 nan 0.000 0.581 217 S N 2.004 117.455 115.700 -0.415 0.000 2.632 217 S HA 0.254 4.286 4.470 -0.729 0.000 0.267 217 S C -1.852 172.518 174.600 -0.383 0.000 1.276 217 S CA -1.107 56.348 58.200 -1.243 0.000 0.998 217 S CB 1.215 63.716 63.200 -1.165 0.000 0.953 217 S HN 0.269 nan 8.310 nan 0.000 0.547 218 P HA -0.118 nan 4.420 nan 0.000 0.216 218 P C 0.655 177.930 177.300 -0.040 0.000 1.154 218 P CA 1.481 64.556 63.100 -0.042 0.000 0.865 218 P CB -0.064 31.658 31.700 0.036 0.000 0.789 219 N N -2.305 116.357 118.700 -0.064 0.000 2.273 219 N HA 0.212 4.514 4.740 -0.729 0.000 0.231 219 N C 0.797 176.247 175.510 -0.100 0.000 1.134 219 N CA 0.453 53.464 53.050 -0.065 0.000 0.856 219 N CB -0.450 38.013 38.487 -0.040 0.000 1.068 219 N HN -0.001 nan 8.380 nan 0.000 0.510 220 G N -0.869 107.877 108.800 -0.089 0.000 2.175 220 G HA2 -0.358 3.165 3.960 -0.729 0.000 0.265 220 G HA3 -0.358 3.165 3.960 -0.729 0.000 0.265 220 G C 1.176 176.111 174.900 0.057 0.000 0.979 220 G CA 1.186 46.256 45.100 -0.051 0.000 0.663 220 G HN 0.408 nan 8.290 nan 0.000 0.533 221 T N -0.270 114.219 114.554 -0.109 0.000 2.737 221 T HA 0.217 4.129 4.350 -0.729 0.000 0.265 221 T C 0.835 175.287 174.700 -0.413 0.000 1.038 221 T CA 1.368 63.254 62.100 -0.358 0.000 1.144 221 T CB -0.061 68.391 68.868 -0.694 0.000 0.866 221 T HN 0.316 nan 8.240 nan 0.000 0.434 222 F N 0.185 120.159 119.950 0.041 0.000 2.507 222 F HA 0.657 4.747 4.527 -0.729 0.000 0.327 222 F C -0.335 175.482 175.800 0.027 0.000 1.068 222 F CA -1.678 56.367 58.000 0.075 0.000 0.965 222 F CB 1.247 40.346 39.000 0.164 0.000 1.192 222 F HN -0.132 nan 8.300 nan 0.000 0.476 223 L N 2.580 123.906 121.223 0.172 0.000 2.372 223 L HA 0.813 4.716 4.340 -0.729 0.000 0.273 223 L C -0.695 176.253 176.870 0.130 0.000 0.989 223 L CA -0.546 54.209 54.840 -0.141 0.000 0.841 223 L CB 0.722 42.420 42.059 -0.601 0.000 1.225 223 L HN 0.682 nan 8.230 nan 0.000 0.414 224 A N 4.672 127.669 122.820 0.296 0.000 2.303 224 A HA 0.791 4.673 4.320 -0.729 0.000 0.317 224 A C -1.381 176.357 177.584 0.257 0.000 1.149 224 A CA -0.246 51.899 52.037 0.181 0.000 0.822 224 A CB 0.624 19.793 19.000 0.281 0.000 1.131 224 A HN 0.907 nan 8.150 nan 0.000 0.493 225 Y N -1.504 118.689 120.300 -0.178 0.000 2.609 225 Y HA 0.752 4.864 4.550 -0.730 0.000 0.336 225 Y C -0.437 175.420 175.900 -0.071 0.000 1.129 225 Y CA -0.956 57.109 58.100 -0.059 0.000 1.040 225 Y CB 0.841 39.205 38.460 -0.160 0.000 1.310 225 Y HN 0.955 nan 8.280 nan 0.000 0.460 226 A N 2.341 125.246 122.820 0.141 0.000 2.325 226 A HA 0.682 4.565 4.320 -0.729 0.000 0.333 226 A C -1.203 176.232 177.584 -0.249 0.000 1.155 226 A CA -0.843 51.119 52.037 -0.126 0.000 0.814 226 A CB 1.708 20.684 19.000 -0.040 0.000 1.206 226 A HN 0.834 nan 8.150 nan 0.000 0.482 227 Q N 1.144 120.704 119.800 -0.401 0.000 2.340 227 Q HA 0.620 4.523 4.340 -0.729 0.000 0.268 227 Q C -2.074 173.620 176.000 -0.509 0.000 1.031 227 Q CA -0.398 55.287 55.803 -0.196 0.000 0.804 227 Q CB 1.093 29.937 28.738 0.176 0.000 1.286 227 Q HN 0.585 nan 8.270 nan 0.000 0.448 228 F N 2.429 122.430 119.950 0.084 0.000 2.458 228 F HA 0.404 4.495 4.527 -0.727 0.000 0.336 228 F C 0.361 176.262 175.800 0.169 0.000 1.114 228 F CA -0.906 57.111 58.000 0.029 0.000 0.987 228 F CB 1.457 40.376 39.000 -0.135 0.000 1.130 228 F HN 0.443 nan 8.300 nan 0.000 0.458 229 N N 2.120 120.987 118.700 0.278 0.000 2.446 229 N HA 0.207 4.510 4.740 -0.729 0.000 0.265 229 N C -0.829 174.821 175.510 0.233 0.000 0.975 229 N CA -0.262 52.926 53.050 0.231 0.000 0.928 229 N CB 1.147 39.722 38.487 0.146 0.000 1.160 229 N HN 0.561 nan 8.380 nan 0.000 0.495 230 D N 1.554 122.113 120.400 0.264 0.000 2.424 230 D HA 0.136 4.338 4.640 -0.729 0.000 0.220 230 D C 1.180 177.578 176.300 0.162 0.000 1.150 230 D CA 0.130 54.267 54.000 0.229 0.000 0.831 230 D CB 0.536 41.523 40.800 0.311 0.000 0.981 230 D HN 0.474 nan 8.370 nan 0.000 0.500 231 T N 0.376 115.008 114.554 0.130 0.000 2.653 231 T HA -0.207 3.706 4.350 -0.729 0.000 0.268 231 T C 1.329 176.075 174.700 0.077 0.000 1.035 231 T CA 1.313 63.467 62.100 0.090 0.000 1.154 231 T CB -0.042 68.870 68.868 0.072 0.000 0.862 231 T HN 0.329 nan 8.240 nan 0.000 0.441 232 E N 0.474 120.721 120.200 0.078 0.000 2.463 232 E HA 0.157 4.070 4.350 -0.729 0.000 0.193 232 E C -0.399 176.243 176.600 0.070 0.000 1.041 232 E CA -0.214 56.224 56.400 0.064 0.000 0.879 232 E CB 0.464 30.195 29.700 0.052 0.000 0.997 232 E HN 0.237 nan 8.360 nan 0.000 0.478 233 V N 3.408 123.376 119.914 0.089 0.000 2.488 233 V HA 0.131 3.814 4.120 -0.729 0.000 0.277 233 V C -2.023 174.121 176.094 0.084 0.000 1.046 233 V CA -1.692 60.664 62.300 0.093 0.000 0.986 233 V CB 0.533 32.426 31.823 0.116 0.000 0.989 233 V HN 0.016 nan 8.190 nan 0.000 0.475 234 P HA 0.224 nan 4.420 nan 0.000 0.270 234 P C -0.686 176.650 177.300 0.060 0.000 1.223 234 P CA -0.188 62.948 63.100 0.060 0.000 0.785 234 P CB 0.496 32.231 31.700 0.059 0.000 0.923 235 L N 2.275 123.514 121.223 0.026 0.000 2.309 235 L HA 0.450 4.353 4.340 -0.729 0.000 0.282 235 L C 0.287 177.121 176.870 -0.060 0.000 1.036 235 L CA -0.908 53.930 54.840 -0.002 0.000 0.806 235 L CB 1.031 43.081 42.059 -0.014 0.000 1.220 235 L HN 0.297 nan 8.230 nan 0.000 0.429 236 I N 2.640 123.136 120.570 -0.124 0.000 2.385 236 I HA 0.296 4.029 4.170 -0.729 0.000 0.294 236 I C -0.404 175.571 176.117 -0.236 0.000 0.988 236 I CA 0.210 61.352 61.300 -0.263 0.000 1.265 236 I CB 1.005 38.635 38.000 -0.616 0.000 1.388 236 I HN 0.578 nan 8.210 nan 0.000 0.480 237 E N 7.118 127.198 120.200 -0.199 0.000 2.293 237 E HA 0.548 4.460 4.350 -0.729 0.000 0.270 237 E C -1.815 174.722 176.600 -0.105 0.000 0.879 237 E CA -0.655 55.620 56.400 -0.207 0.000 0.756 237 E CB 2.300 31.906 29.700 -0.156 0.000 1.208 237 E HN 0.565 nan 8.360 nan 0.000 0.428 238 Y N -2.149 118.056 120.300 -0.158 0.000 2.609 238 Y HA 0.541 4.642 4.550 -0.750 0.000 0.336 238 Y C -0.888 174.930 175.900 -0.137 0.000 1.129 238 Y CA -1.252 56.758 58.100 -0.149 0.000 1.040 238 Y CB 0.923 39.294 38.460 -0.147 0.000 1.310 238 Y HN 0.239 nan 8.280 nan 0.000 0.460 239 S N 2.020 117.704 115.700 -0.026 0.000 2.562 239 S HA 0.485 4.517 4.470 -0.729 0.000 0.275 239 S C -1.405 173.022 174.600 -0.289 0.000 1.281 239 S CA -0.423 57.618 58.200 -0.265 0.000 1.045 239 S CB 0.573 63.474 63.200 -0.498 0.000 0.962 239 S HN 0.534 nan 8.310 nan 0.000 0.503 240 F N 2.636 122.331 119.950 -0.425 0.000 2.460 240 F HA 0.427 4.520 4.527 -0.723 0.000 0.341 240 F C -0.130 175.445 175.800 -0.375 0.000 1.130 240 F CA -1.048 56.793 58.000 -0.265 0.000 0.962 240 F CB 0.655 39.619 39.000 -0.059 0.000 1.171 240 F HN 0.647 nan 8.300 nan 0.000 0.436 241 Y N 2.820 122.872 120.300 -0.413 0.000 2.395 241 Y HA 0.068 4.095 4.550 -0.872 0.000 0.293 241 Y C 1.784 177.566 175.900 -0.197 0.000 1.123 241 Y CA 1.143 59.095 58.100 -0.246 0.000 1.227 241 Y CB -0.669 37.647 38.460 -0.241 0.000 1.012 241 Y HN 0.738 nan 8.280 nan 0.000 0.552 242 S N -0.117 115.409 115.700 -0.291 0.000 3.443 242 S HA -0.329 3.703 4.470 -0.729 0.000 0.635 242 S C -0.159 174.463 174.600 0.037 0.000 2.555 242 S CA 0.246 58.461 58.200 0.025 0.000 2.778 242 S CB -1.447 61.898 63.200 0.242 0.000 0.331 242 S HN 0.619 nan 8.310 nan 0.000 1.765 243 D N 0.996 121.449 120.400 0.088 0.000 2.443 243 D HA 0.216 4.418 4.640 -0.729 0.000 0.239 243 D C 1.440 177.764 176.300 0.040 0.000 1.136 243 D CA 0.854 54.889 54.000 0.059 0.000 0.879 243 D CB 0.499 41.339 40.800 0.066 0.000 1.195 243 D HN 0.547 nan 8.370 nan 0.000 0.443 244 E N 1.421 121.634 120.200 0.021 0.000 2.233 244 E HA -0.287 3.626 4.350 -0.729 0.000 0.199 244 E C 1.307 177.914 176.600 0.011 0.000 1.004 244 E CA 1.395 57.799 56.400 0.007 0.000 0.819 244 E CB 0.015 29.714 29.700 -0.002 0.000 0.738 244 E HN 0.554 nan 8.360 nan 0.000 0.478 245 S N -0.200 115.514 115.700 0.023 0.000 2.522 245 S HA 0.002 4.034 4.470 -0.729 0.000 0.227 245 S C 1.028 175.649 174.600 0.035 0.000 0.986 245 S CA -0.175 58.040 58.200 0.025 0.000 0.929 245 S CB -0.028 63.190 63.200 0.029 0.000 0.769 245 S HN 0.228 nan 8.310 nan 0.000 0.529 246 L N 2.381 123.633 121.223 0.048 0.000 2.369 246 L HA 0.192 4.094 4.340 -0.729 0.000 0.279 246 L C 1.539 178.439 176.870 0.049 0.000 1.108 246 L CA -0.058 54.823 54.840 0.067 0.000 0.852 246 L CB 1.016 43.128 42.059 0.089 0.000 1.169 246 L HN 0.394 nan 8.230 nan 0.000 0.452 247 Q N 3.824 123.658 119.800 0.057 0.000 2.079 247 Q HA -0.106 3.797 4.340 -0.729 0.000 0.200 247 Q C -0.635 175.272 176.000 -0.155 0.000 0.974 247 Q CA 1.417 57.198 55.803 -0.038 0.000 0.840 247 Q CB 0.236 28.975 28.738 0.002 0.000 0.898 247 Q HN 0.565 nan 8.270 nan 0.000 0.430 248 Y N 0.069 120.381 120.300 0.019 0.000 2.364 248 Y HA 0.377 4.487 4.550 -0.733 0.000 0.340 248 Y C -2.078 173.828 175.900 0.010 0.000 0.975 248 Y CA -2.973 55.135 58.100 0.013 0.000 1.089 248 Y CB 1.307 39.767 38.460 0.001 0.000 1.192 248 Y HN 0.082 nan 8.280 nan 0.000 0.454 249 P HA 0.127 nan 4.420 nan 0.000 0.271 249 P C -1.055 176.249 177.300 0.007 0.000 1.218 249 P CA -0.598 62.508 63.100 0.010 0.000 0.780 249 P CB 0.589 32.226 31.700 -0.105 0.000 0.901 250 K N 0.075 120.470 120.400 -0.009 0.000 2.123 250 K HA 0.597 4.479 4.320 -0.729 0.000 0.248 250 K C -0.717 175.842 176.600 -0.068 0.000 0.969 250 K CA -0.703 55.578 56.287 -0.009 0.000 0.882 250 K CB 0.573 33.089 32.500 0.027 0.000 1.080 250 K HN 0.177 nan 8.250 nan 0.000 0.441 251 T N 1.629 116.128 114.554 -0.092 0.000 2.749 251 T HA 0.220 4.133 4.350 -0.729 0.000 0.287 251 T C -0.210 174.367 174.700 -0.205 0.000 0.970 251 T CA -0.717 61.292 62.100 -0.152 0.000 0.980 251 T CB 1.033 69.823 68.868 -0.129 0.000 0.924 251 T HN 0.340 nan 8.240 nan 0.000 0.456 252 V N 5.215 124.913 119.914 -0.360 0.000 2.546 252 V HA 0.431 4.114 4.120 -0.729 0.000 0.284 252 V C 0.446 176.277 176.094 -0.438 0.000 1.050 252 V CA -0.505 61.535 62.300 -0.434 0.000 0.981 252 V CB 0.927 32.326 31.823 -0.706 0.000 0.990 252 V HN 0.721 nan 8.190 nan 0.000 0.474 253 R N 5.033 125.397 120.500 -0.226 0.000 2.476 253 R HA 0.712 4.615 4.340 -0.729 0.000 0.305 253 R C -1.384 174.895 176.300 -0.036 0.000 0.965 253 R CA -0.532 55.479 56.100 -0.148 0.000 0.867 253 R CB 1.984 32.232 30.300 -0.087 0.000 1.176 253 R HN 0.603 nan 8.270 nan 0.000 0.447 254 I N 3.232 123.774 120.570 -0.047 0.000 2.533 254 I HA 0.341 4.074 4.170 -0.729 0.000 0.290 254 I C -2.417 173.735 176.117 0.059 0.000 1.056 254 I CA -2.701 58.628 61.300 0.050 0.000 1.057 254 I CB 2.733 40.697 38.000 -0.060 0.000 1.240 254 I HN 0.234 nan 8.210 nan 0.000 0.423 255 P HA 0.081 nan 4.420 nan 0.000 0.273 255 P C -1.472 175.919 177.300 0.152 0.000 1.319 255 P CA 0.201 63.389 63.100 0.148 0.000 0.885 255 P CB -0.152 31.671 31.700 0.204 0.000 1.015 256 Y N 6.894 127.164 120.300 -0.050 0.000 2.326 256 Y HA 0.469 4.590 4.550 -0.715 0.000 0.329 256 Y C -2.657 173.220 175.900 -0.039 0.000 0.973 256 Y CA -3.020 55.010 58.100 -0.116 0.000 1.162 256 Y CB 1.894 40.168 38.460 -0.309 0.000 1.147 256 Y HN 0.272 nan 8.280 nan 0.000 0.456 257 P HA 0.289 nan 4.420 nan 0.000 0.297 257 P C -1.239 176.116 177.300 0.093 0.000 1.342 257 P CA -0.403 62.739 63.100 0.070 0.000 0.801 257 P CB 1.624 33.344 31.700 0.033 0.000 0.920 258 K N 1.930 122.458 120.400 0.213 0.000 2.090 258 K HA 0.547 4.429 4.320 -0.729 0.000 0.250 258 K C 0.430 177.132 176.600 0.171 0.000 1.004 258 K CA -0.812 55.619 56.287 0.240 0.000 0.919 258 K CB 0.761 33.415 32.500 0.258 0.000 1.045 258 K HN 0.460 nan 8.250 nan 0.000 0.471 259 A N 0.908 123.855 122.820 0.212 0.000 2.592 259 A HA 0.168 4.050 4.320 -0.729 0.000 0.250 259 A C 1.257 178.896 177.584 0.092 0.000 1.017 259 A CA 1.238 53.391 52.037 0.193 0.000 0.794 259 A CB -1.379 17.805 19.000 0.306 0.000 0.917 259 A HN 0.949 nan 8.150 nan 0.000 0.515 260 G N 0.987 109.831 108.800 0.072 0.000 2.184 260 G HA2 0.085 3.608 3.960 -0.729 0.000 0.264 260 G HA3 0.085 3.608 3.960 -0.729 0.000 0.264 260 G C 0.724 175.644 174.900 0.033 0.000 0.975 260 G CA 0.988 46.103 45.100 0.026 0.000 0.642 260 G HN 2.263 nan 8.290 nan 0.000 0.536 261 A N -0.283 122.572 122.820 0.058 0.000 2.249 261 A HA 0.698 4.581 4.320 -0.729 0.000 0.281 261 A C 0.506 178.122 177.584 0.053 0.000 1.127 261 A CA 0.541 52.613 52.037 0.058 0.000 0.833 261 A CB 0.303 19.352 19.000 0.081 0.000 1.140 261 A HN 0.650 nan 8.150 nan 0.000 0.502 262 E N 0.582 120.813 120.200 0.052 0.000 2.324 262 E HA 0.169 4.082 4.350 -0.729 0.000 0.271 262 E C -0.430 176.209 176.600 0.066 0.000 1.028 262 E CA 0.141 56.570 56.400 0.049 0.000 0.890 262 E CB 0.141 29.869 29.700 0.047 0.000 1.004 262 E HN 0.538 nan 8.360 nan 0.000 0.431 263 N N 4.132 122.870 118.700 0.064 0.000 2.482 263 N HA 0.423 4.725 4.740 -0.729 0.000 0.279 263 N C -2.464 173.117 175.510 0.119 0.000 1.182 263 N CA -1.686 51.424 53.050 0.100 0.000 0.969 263 N CB 0.717 39.269 38.487 0.108 0.000 1.201 263 N HN 0.386 nan 8.380 nan 0.000 0.523 264 P HA 0.122 nan 4.420 nan 0.000 0.278 264 P C -0.431 176.994 177.300 0.209 0.000 1.238 264 P CA -0.204 63.021 63.100 0.208 0.000 0.794 264 P CB 0.466 32.320 31.700 0.256 0.000 0.955 265 T N -0.608 114.037 114.554 0.151 0.000 2.902 265 T HA 0.555 4.468 4.350 -0.729 0.000 0.280 265 T C -0.040 174.729 174.700 0.115 0.000 0.992 265 T CA -0.732 61.420 62.100 0.086 0.000 1.015 265 T CB 1.385 70.278 68.868 0.041 0.000 1.044 265 T HN 0.347 nan 8.240 nan 0.000 0.520 266 V N 0.062 120.011 119.914 0.058 0.000 3.049 266 V HA 0.766 4.448 4.120 -0.729 0.000 0.309 266 V C -1.662 174.428 176.094 -0.005 0.000 1.148 266 V CA -0.954 61.326 62.300 -0.034 0.000 0.990 266 V CB 2.251 34.065 31.823 -0.016 0.000 1.039 266 V HN 1.068 nan 8.190 nan 0.000 0.430 267 K N 3.837 124.154 120.400 -0.138 0.000 2.469 267 K HA 0.566 4.448 4.320 -0.729 0.000 0.254 267 K C -1.996 174.403 176.600 -0.335 0.000 0.939 267 K CA -0.431 55.723 56.287 -0.221 0.000 0.812 267 K CB 2.775 35.088 32.500 -0.311 0.000 1.301 267 K HN 0.554 nan 8.250 nan 0.000 0.433 268 F N 2.694 122.289 119.950 -0.591 0.000 2.493 268 F HA 0.555 4.644 4.527 -0.730 0.000 0.329 268 F C -1.521 173.797 175.800 -0.803 0.000 1.126 268 F CA -0.691 56.985 58.000 -0.539 0.000 0.937 268 F CB 0.788 39.617 39.000 -0.285 0.000 1.146 268 F HN 0.371 nan 8.300 nan 0.000 0.442 269 F N 4.539 123.842 119.950 -1.079 0.000 2.563 269 F HA 0.691 4.780 4.527 -0.730 0.000 0.316 269 F C -0.859 174.499 175.800 -0.736 0.000 1.076 269 F CA -1.266 56.270 58.000 -0.772 0.000 0.921 269 F CB 2.048 40.576 39.000 -0.786 0.000 1.209 269 F HN 0.072 nan 8.300 nan 0.000 0.462 270 V N 3.391 123.243 119.914 -0.104 0.000 2.376 270 V HA 0.417 4.099 4.120 -0.729 0.000 0.287 270 V C -0.566 175.683 176.094 0.258 0.000 1.015 270 V CA -0.793 61.479 62.300 -0.046 0.000 0.834 270 V CB 1.409 32.990 31.823 -0.403 0.000 1.001 270 V HN 0.533 nan 8.190 nan 0.000 0.428 271 V N 3.594 123.685 119.914 0.294 0.000 2.439 271 V HA 0.320 4.002 4.120 -0.729 0.000 0.282 271 V C 0.086 176.430 176.094 0.417 0.000 1.039 271 V CA -0.385 62.102 62.300 0.311 0.000 0.913 271 V CB 1.807 33.734 31.823 0.174 0.000 0.983 271 V HN 0.878 nan 8.190 nan 0.000 0.460 272 D N 3.623 124.282 120.400 0.432 0.000 2.365 272 D HA 0.081 4.283 4.640 -0.729 0.000 0.237 272 D C 1.365 177.748 176.300 0.138 0.000 1.190 272 D CA 0.045 54.254 54.000 0.348 0.000 0.867 272 D CB 1.666 42.697 40.800 0.385 0.000 1.050 272 D HN 0.735 nan 8.370 nan 0.000 0.491 273 T N 1.422 116.012 114.554 0.060 0.000 3.072 273 T HA -0.043 3.869 4.350 -0.729 0.000 0.266 273 T C 1.706 176.430 174.700 0.040 0.000 1.127 273 T CA 0.427 62.567 62.100 0.067 0.000 1.107 273 T CB 0.035 68.993 68.868 0.150 0.000 0.910 273 T HN 0.312 nan 8.240 nan 0.000 0.513 274 R N 1.361 121.854 120.500 -0.012 0.000 2.127 274 R HA -0.055 3.847 4.340 -0.729 0.000 0.238 274 R C 2.575 178.890 176.300 0.026 0.000 1.134 274 R CA 1.842 57.936 56.100 -0.011 0.000 0.975 274 R CB -0.593 29.679 30.300 -0.046 0.000 0.865 274 R HN 0.682 nan 8.270 nan 0.000 0.447 275 T N -1.806 112.777 114.554 0.048 0.000 3.086 275 T HA 0.215 4.127 4.350 -0.729 0.000 0.250 275 T C 0.678 175.413 174.700 0.058 0.000 1.074 275 T CA -0.214 61.921 62.100 0.058 0.000 0.988 275 T CB 0.002 68.915 68.868 0.076 0.000 0.988 275 T HN -0.021 nan 8.240 nan 0.000 0.530 276 L N 2.538 123.794 121.223 0.056 0.000 2.534 276 L HA 0.377 4.280 4.340 -0.729 0.000 0.271 276 L C 0.407 177.307 176.870 0.050 0.000 1.178 276 L CA 0.016 54.888 54.840 0.052 0.000 0.907 276 L CB 0.400 42.488 42.059 0.048 0.000 1.164 276 L HN 0.283 nan 8.230 nan 0.000 0.482 277 S N 4.258 119.989 115.700 0.052 0.000 2.537 277 S HA 0.465 4.497 4.470 -0.729 0.000 0.271 277 S C -1.978 172.655 174.600 0.055 0.000 1.148 277 S CA -1.082 57.148 58.200 0.049 0.000 0.868 277 S CB 1.968 65.195 63.200 0.044 0.000 1.115 277 S HN 0.359 nan 8.310 nan 0.000 0.461 278 P HA -0.080 nan 4.420 nan 0.000 0.217 278 P C 0.295 177.631 177.300 0.061 0.000 1.148 278 P CA 1.281 64.419 63.100 0.063 0.000 0.828 278 P CB -0.045 31.688 31.700 0.054 0.000 0.783 279 N N -0.628 118.100 118.700 0.047 0.000 2.273 279 N HA 0.278 4.580 4.740 -0.729 0.000 0.231 279 N C 0.201 175.731 175.510 0.035 0.000 1.134 279 N CA 0.006 53.079 53.050 0.037 0.000 0.856 279 N CB 0.794 39.298 38.487 0.029 0.000 1.068 279 N HN 0.133 nan 8.380 nan 0.000 0.510 280 A N 0.233 123.080 122.820 0.045 0.000 2.384 280 A HA 0.665 4.547 4.320 -0.729 0.000 0.312 280 A C 0.523 178.138 177.584 0.052 0.000 1.113 280 A CA -0.526 51.538 52.037 0.044 0.000 0.779 280 A CB 1.071 20.100 19.000 0.049 0.000 1.307 280 A HN 0.161 nan 8.150 nan 0.000 0.436 281 S N -0.083 115.644 115.700 0.045 0.000 2.661 281 S HA 0.555 4.587 4.470 -0.729 0.000 0.265 281 S C -0.024 174.621 174.600 0.075 0.000 1.225 281 S CA -0.476 57.754 58.200 0.049 0.000 0.986 281 S CB 0.651 63.869 63.200 0.030 0.000 1.008 281 S HN 0.878 nan 8.310 nan 0.000 0.565 282 V N 1.432 121.398 119.914 0.087 0.000 2.432 282 V HA 0.333 4.016 4.120 -0.729 0.000 0.275 282 V C 0.237 176.397 176.094 0.110 0.000 1.043 282 V CA -0.513 61.843 62.300 0.092 0.000 0.925 282 V CB 1.041 32.915 31.823 0.084 0.000 0.985 282 V HN 0.990 nan 8.190 nan 0.000 0.466 283 T N 4.760 119.396 114.554 0.137 0.000 2.727 283 T HA 0.492 4.404 4.350 -0.729 0.000 0.298 283 T C 0.091 174.938 174.700 0.246 0.000 0.942 283 T CA -0.185 62.027 62.100 0.186 0.000 0.997 283 T CB 0.491 69.478 68.868 0.198 0.000 0.917 283 T HN 0.931 nan 8.240 nan 0.000 0.487 284 S N 3.241 119.099 115.700 0.263 0.000 2.588 284 S HA 0.720 4.753 4.470 -0.729 0.000 0.275 284 S C -1.648 173.200 174.600 0.413 0.000 1.130 284 S CA -0.974 57.423 58.200 0.328 0.000 0.855 284 S CB 1.666 65.006 63.200 0.234 0.000 1.116 284 S HN 0.558 nan 8.310 nan 0.000 0.472 285 Y N 1.019 121.512 120.300 0.321 0.000 2.446 285 Y HA 0.556 4.668 4.550 -0.729 0.000 0.345 285 Y C -0.478 175.562 175.900 0.234 0.000 0.984 285 Y CA -0.582 57.701 58.100 0.306 0.000 1.058 285 Y CB 2.018 40.736 38.460 0.430 0.000 1.220 285 Y HN 0.913 nan 8.280 nan 0.000 0.455 286 Q N 5.995 125.517 119.800 -0.463 0.000 2.314 286 Q HA 0.503 4.405 4.340 -0.729 0.000 0.259 286 Q C -1.392 174.320 176.000 -0.480 0.000 0.951 286 Q CA -0.536 54.988 55.803 -0.466 0.000 0.909 286 Q CB 0.818 29.292 28.738 -0.439 0.000 1.236 286 Q HN 0.748 nan 8.270 nan 0.000 0.444 287 I N 5.144 125.624 120.570 -0.150 0.000 2.315 287 I HA 0.224 3.957 4.170 -0.729 0.000 0.291 287 I C 0.176 176.299 176.117 0.011 0.000 1.006 287 I CA -0.839 60.492 61.300 0.051 0.000 1.265 287 I CB 1.201 39.327 38.000 0.210 0.000 1.387 287 I HN 0.410 nan 8.210 nan 0.000 0.475 288 V N 5.543 125.410 119.914 -0.080 0.000 2.837 288 V HA 0.645 4.327 4.120 -0.729 0.000 0.310 288 V C -2.301 173.559 176.094 -0.391 0.000 1.059 288 V CA -1.855 60.317 62.300 -0.213 0.000 1.004 288 V CB 0.939 32.628 31.823 -0.224 0.000 1.045 288 V HN 0.524 nan 8.190 nan 0.000 0.465 289 P HA 0.393 nan 4.420 nan 0.000 0.274 289 P C -2.814 174.069 177.300 -0.695 0.000 1.246 289 P CA -1.524 60.755 63.100 -1.369 0.000 0.795 289 P CB -0.267 30.048 31.700 -2.309 0.000 1.006 290 P HA 0.025 nan 4.420 nan 0.000 0.269 290 P C 0.843 177.968 177.300 -0.291 0.000 1.215 290 P CA 0.158 63.091 63.100 -0.279 0.000 0.780 290 P CB 0.095 31.701 31.700 -0.156 0.000 0.898 291 A N 2.316 125.015 122.820 -0.201 0.000 1.948 291 A HA -0.229 3.653 4.320 -0.729 0.000 0.220 291 A C 2.091 179.557 177.584 -0.196 0.000 1.177 291 A CA 2.467 54.392 52.037 -0.187 0.000 0.636 291 A CB -1.853 17.070 19.000 -0.128 0.000 0.815 291 A HN 0.631 nan 8.150 nan 0.000 0.449 292 S N -1.161 114.442 115.700 -0.161 0.000 2.500 292 S HA -0.031 4.002 4.470 -0.729 0.000 0.239 292 S C 1.373 175.801 174.600 -0.286 0.000 0.989 292 S CA 1.377 59.461 58.200 -0.194 0.000 0.951 292 S CB -0.240 62.917 63.200 -0.072 0.000 0.759 292 S HN 0.276 nan 8.310 nan 0.000 0.523 293 V N 0.417 120.165 119.914 -0.276 0.000 3.212 293 V HA 0.291 3.974 4.120 -0.729 0.000 0.244 293 V C 2.040 177.888 176.094 -0.410 0.000 1.151 293 V CA 0.288 62.396 62.300 -0.320 0.000 1.119 293 V CB -0.219 31.389 31.823 -0.359 0.000 0.838 293 V HN 0.414 nan 8.190 nan 0.000 0.470 294 L N -0.204 120.761 121.223 -0.430 0.000 2.353 294 L HA -0.127 3.775 4.340 -0.729 0.000 0.220 294 L C 2.218 178.977 176.870 -0.185 0.000 1.133 294 L CA 1.181 55.809 54.840 -0.354 0.000 0.798 294 L CB -0.353 41.525 42.059 -0.302 0.000 0.922 294 L HN 0.334 nan 8.230 nan 0.000 0.445 295 I N -0.394 120.069 120.570 -0.178 0.000 2.091 295 I HA -0.273 3.460 4.170 -0.729 0.000 0.240 295 I C 1.501 177.568 176.117 -0.084 0.000 1.046 295 I CA 1.758 62.981 61.300 -0.129 0.000 1.306 295 I CB -0.443 37.467 38.000 -0.150 0.000 1.018 295 I HN 0.340 nan 8.210 nan 0.000 0.404 296 G N -1.164 107.595 108.800 -0.067 0.000 3.243 296 G HA2 0.261 3.783 3.960 -0.729 0.000 0.248 296 G HA3 0.261 3.783 3.960 -0.729 0.000 0.248 296 G C -1.293 173.628 174.900 0.034 0.000 1.267 296 G CA -0.413 44.669 45.100 -0.030 0.000 0.906 296 G HN -0.002 nan 8.290 nan 0.000 0.592 297 D N 1.029 121.415 120.400 -0.024 0.000 2.423 297 D HA 0.352 4.555 4.640 -0.729 0.000 0.238 297 D C 0.261 176.500 176.300 -0.101 0.000 1.142 297 D CA 0.688 54.628 54.000 -0.100 0.000 0.884 297 D CB 0.576 41.274 40.800 -0.170 0.000 1.199 297 D HN 0.553 nan 8.370 nan 0.000 0.438 298 H N -1.328 117.592 119.070 -0.250 0.000 2.933 298 H HA 0.458 4.577 4.556 -0.728 0.000 0.310 298 H C -1.397 173.790 175.328 -0.235 0.000 1.351 298 H CA -0.781 55.129 56.048 -0.230 0.000 1.137 298 H CB 0.426 30.175 29.762 -0.023 0.000 1.853 298 H HN 0.306 nan 8.280 nan 0.000 0.539 299 Y N -0.191 120.338 120.300 0.381 0.000 2.581 299 Y HA 0.432 4.545 4.550 -0.729 0.000 0.345 299 Y C -0.593 175.619 175.900 0.520 0.000 1.036 299 Y CA -1.143 57.185 58.100 0.381 0.000 1.042 299 Y CB 2.018 40.557 38.460 0.131 0.000 1.289 299 Y HN 0.503 nan 8.280 nan 0.000 0.471 300 L N 2.760 124.371 121.223 0.646 0.000 2.265 300 L HA 0.479 4.382 4.340 -0.729 0.000 0.289 300 L C 0.255 177.352 176.870 0.379 0.000 1.033 300 L CA -0.399 54.514 54.840 0.121 0.000 0.814 300 L CB 0.568 42.566 42.059 -0.101 0.000 1.203 300 L HN 0.952 nan 8.230 nan 0.000 0.423 301 C N 1.641 121.014 119.300 0.122 0.000 3.183 301 C HA 0.862 4.885 4.460 -0.729 0.000 0.285 301 C C 0.709 175.646 174.990 -0.088 0.000 1.313 301 C CA 0.003 59.125 59.018 0.173 0.000 1.711 301 C CB -0.847 26.962 27.740 0.116 0.000 2.135 301 C HN 0.924 nan 8.230 nan 0.000 0.651 302 G N 0.154 108.760 108.800 -0.324 0.000 2.733 302 G HA2 0.565 4.088 3.960 -0.729 0.000 0.297 302 G HA3 0.565 4.088 3.960 -0.729 0.000 0.297 302 G C -1.808 172.667 174.900 -0.709 0.000 1.452 302 G CA -0.170 44.643 45.100 -0.478 0.000 0.940 302 G HN 0.301 nan 8.290 nan 0.000 0.547 303 V N 0.824 120.237 119.914 -0.834 0.000 2.638 303 V HA 0.840 4.522 4.120 -0.729 0.000 0.306 303 V C -0.349 175.298 176.094 -0.746 0.000 1.052 303 V CA -0.655 61.008 62.300 -1.061 0.000 0.885 303 V CB 2.157 32.871 31.823 -1.847 0.000 0.999 303 V HN 0.897 nan 8.190 nan 0.000 0.424 304 T N 3.022 117.199 114.554 -0.628 0.000 3.109 304 T HA 0.358 4.271 4.350 -0.729 0.000 0.311 304 T C -1.070 173.393 174.700 -0.395 0.000 1.011 304 T CA -0.438 61.446 62.100 -0.360 0.000 1.026 304 T CB 0.917 69.661 68.868 -0.206 0.000 1.047 304 T HN 0.542 nan 8.240 nan 0.000 0.448 305 W N 2.581 123.789 121.300 -0.154 0.000 2.272 305 W HA 0.388 4.610 4.660 -0.730 0.000 0.318 305 W C 1.113 177.534 176.519 -0.164 0.000 1.255 305 W CA -0.329 56.946 57.345 -0.117 0.000 1.200 305 W CB 0.750 30.229 29.460 0.031 0.000 1.170 305 W HN 0.465 nan 8.180 nan 0.000 0.549 306 V N 1.605 121.508 119.914 -0.018 0.000 2.521 306 V HA 0.095 3.777 4.120 -0.729 0.000 0.239 306 V C 0.858 177.009 176.094 0.095 0.000 1.053 306 V CA 1.542 63.741 62.300 -0.168 0.000 1.073 306 V CB -0.186 31.316 31.823 -0.536 0.000 0.746 306 V HN 0.677 nan 8.190 nan 0.000 0.476 307 T N -4.288 110.389 114.554 0.205 0.000 2.681 307 T HA 0.320 4.233 4.350 -0.729 0.000 0.296 307 T C 0.321 175.231 174.700 0.350 0.000 1.157 307 T CA -0.492 61.747 62.100 0.231 0.000 1.025 307 T CB 1.834 70.811 68.868 0.181 0.000 1.441 307 T HN -0.054 nan 8.240 nan 0.000 0.504 308 E N 0.448 120.809 120.200 0.268 0.000 2.409 308 E HA -0.036 3.877 4.350 -0.729 0.000 0.198 308 E C 0.728 177.624 176.600 0.493 0.000 1.024 308 E CA 0.962 57.546 56.400 0.307 0.000 0.861 308 E CB 0.115 29.927 29.700 0.187 0.000 0.788 308 E HN 0.741 nan 8.360 nan 0.000 0.521 309 E N -0.064 120.387 120.200 0.418 0.000 2.758 309 E HA 0.157 4.069 4.350 -0.729 0.000 0.215 309 E C 0.182 177.024 176.600 0.403 0.000 0.985 309 E CA -0.164 56.444 56.400 0.348 0.000 1.102 309 E CB 1.024 30.854 29.700 0.217 0.000 1.042 309 E HN -0.124 nan 8.360 nan 0.000 0.480 310 R N 1.690 122.480 120.500 0.484 0.000 2.510 310 R HA 0.466 4.369 4.340 -0.729 0.000 0.294 310 R C -1.782 174.579 176.300 0.102 0.000 1.056 310 R CA -0.391 55.882 56.100 0.288 0.000 0.918 310 R CB 1.233 31.598 30.300 0.107 0.000 1.187 310 R HN 0.066 nan 8.270 nan 0.000 0.437 311 I N 2.363 122.858 120.570 -0.125 0.000 2.530 311 I HA 0.410 4.142 4.170 -0.729 0.000 0.297 311 I C -1.047 174.754 176.117 -0.528 0.000 1.011 311 I CA -0.504 60.426 61.300 -0.618 0.000 1.107 311 I CB 2.274 39.536 38.000 -1.230 0.000 1.285 311 I HN 0.631 nan 8.210 nan 0.000 0.436 312 S N 7.552 122.876 115.700 -0.626 0.000 2.456 312 S HA 0.637 4.670 4.470 -0.729 0.000 0.316 312 S C -0.943 173.314 174.600 -0.571 0.000 1.089 312 S CA -0.663 57.241 58.200 -0.494 0.000 1.101 312 S CB 0.516 63.458 63.200 -0.430 0.000 0.995 312 S HN 0.494 nan 8.310 nan 0.000 0.468 313 L N 4.350 125.268 121.223 -0.508 0.000 2.346 313 L HA 0.579 4.482 4.340 -0.729 0.000 0.276 313 L C -0.156 176.422 176.870 -0.486 0.000 1.006 313 L CA -0.676 53.753 54.840 -0.684 0.000 0.817 313 L CB 1.943 43.531 42.059 -0.784 0.000 1.272 313 L HN 0.611 nan 8.230 nan 0.000 0.421 314 Q N 2.236 121.691 119.800 -0.576 0.000 2.341 314 Q HA 0.397 4.299 4.340 -0.729 0.000 0.268 314 Q C -1.874 173.932 176.000 -0.324 0.000 1.013 314 Q CA -0.518 55.096 55.803 -0.315 0.000 0.798 314 Q CB 1.314 29.905 28.738 -0.246 0.000 1.253 314 Q HN 0.461 nan 8.270 nan 0.000 0.457 315 W N 3.837 125.112 121.300 -0.042 0.000 2.639 315 W HA 0.700 4.922 4.660 -0.730 0.000 0.347 315 W C -0.534 176.046 176.519 0.103 0.000 1.067 315 W CA -0.653 56.723 57.345 0.051 0.000 1.218 315 W CB 1.258 30.726 29.460 0.013 0.000 1.393 315 W HN 0.507 nan 8.180 nan 0.000 0.557 316 I N 1.324 122.159 120.570 0.442 0.000 2.802 316 I HA 0.445 4.178 4.170 -0.729 0.000 0.298 316 I C -0.176 176.139 176.117 0.330 0.000 1.176 316 I CA -1.221 60.287 61.300 0.347 0.000 1.025 316 I CB 1.555 39.728 38.000 0.288 0.000 1.243 316 I HN 0.414 nan 8.210 nan 0.000 0.424 317 R N 3.884 124.538 120.500 0.257 0.000 2.707 317 R HA 0.250 4.152 4.340 -0.729 0.000 0.270 317 R C 1.030 177.371 176.300 0.068 0.000 1.083 317 R CA -0.295 55.881 56.100 0.126 0.000 1.182 317 R CB 0.530 30.869 30.300 0.065 0.000 1.084 317 R HN 0.584 nan 8.270 nan 0.000 0.528 318 R N 1.374 121.825 120.500 -0.081 0.000 2.105 318 R HA -0.196 3.706 4.340 -0.729 0.000 0.239 318 R C 1.831 178.164 176.300 0.055 0.000 1.135 318 R CA 1.929 57.949 56.100 -0.134 0.000 0.967 318 R CB -0.296 29.892 30.300 -0.187 0.000 0.861 318 R HN 0.764 nan 8.270 nan 0.000 0.442 319 A N 0.266 123.109 122.820 0.038 0.000 1.972 319 A HA -0.186 3.696 4.320 -0.729 0.000 0.219 319 A C 0.865 178.489 177.584 0.066 0.000 1.169 319 A CA 1.635 53.699 52.037 0.045 0.000 0.635 319 A CB -0.148 18.872 19.000 0.034 0.000 0.810 319 A HN 0.635 nan 8.150 nan 0.000 0.446 320 Q N -2.086 117.784 119.800 0.117 0.000 2.504 320 Q HA -0.184 3.719 4.340 -0.729 0.000 0.274 320 Q C -0.112 175.968 176.000 0.134 0.000 1.103 320 Q CA 0.654 56.537 55.803 0.133 0.000 0.962 320 Q CB -1.858 26.922 28.738 0.069 0.000 1.322 320 Q HN 0.978 nan 8.270 nan 0.000 0.500 321 N N -0.575 118.207 118.700 0.136 0.000 2.197 321 N HA 0.086 4.389 4.740 -0.729 0.000 0.228 321 N C -0.877 174.726 175.510 0.155 0.000 1.212 321 N CA -0.023 53.093 53.050 0.109 0.000 0.883 321 N CB 0.498 39.028 38.487 0.072 0.000 1.107 321 N HN 0.314 nan 8.380 nan 0.000 0.519 322 Y N 1.640 121.967 120.300 0.046 0.000 2.307 322 Y HA 0.502 4.614 4.550 -0.730 0.000 0.323 322 Y C -1.163 174.777 175.900 0.066 0.000 1.100 322 Y CA -1.078 57.048 58.100 0.043 0.000 1.140 322 Y CB 1.055 39.530 38.460 0.025 0.000 1.159 322 Y HN 0.156 nan 8.280 nan 0.000 0.436 323 S N 6.312 121.957 115.700 -0.092 0.000 2.599 323 S HA 0.867 4.900 4.470 -0.729 0.000 0.294 323 S C -1.323 173.216 174.600 -0.102 0.000 1.094 323 S CA -0.800 57.419 58.200 0.033 0.000 0.931 323 S CB 2.416 65.644 63.200 0.047 0.000 1.093 323 S HN 0.790 nan 8.310 nan 0.000 0.488 324 I N 0.886 121.491 120.570 0.058 0.000 2.752 324 I HA 0.526 4.258 4.170 -0.729 0.000 0.295 324 I C -1.868 174.301 176.117 0.085 0.000 1.219 324 I CA -1.259 60.068 61.300 0.045 0.000 1.030 324 I CB 1.663 39.728 38.000 0.109 0.000 1.259 324 I HN 0.790 nan 8.210 nan 0.000 0.423 325 I N 5.708 126.302 120.570 0.039 0.000 2.336 325 I HA 0.297 4.029 4.170 -0.729 0.000 0.292 325 I C -1.076 175.079 176.117 0.065 0.000 0.991 325 I CA -0.240 61.055 61.300 -0.008 0.000 1.227 325 I CB 1.416 39.336 38.000 -0.134 0.000 1.366 325 I HN 0.469 nan 8.210 nan 0.000 0.466 326 D N 7.559 127.986 120.400 0.045 0.000 2.425 326 D HA 0.443 4.646 4.640 -0.729 0.000 0.240 326 D C -0.684 175.606 176.300 -0.018 0.000 1.080 326 D CA -0.274 53.759 54.000 0.055 0.000 0.836 326 D CB 1.187 42.051 40.800 0.107 0.000 1.125 326 D HN 0.263 nan 8.370 nan 0.000 0.525 327 I N 4.202 124.786 120.570 0.023 0.000 2.306 327 I HA 0.265 3.998 4.170 -0.729 0.000 0.288 327 I C -0.308 175.822 176.117 0.023 0.000 1.036 327 I CA -0.691 60.600 61.300 -0.014 0.000 1.221 327 I CB 0.844 38.886 38.000 0.070 0.000 1.385 327 I HN 0.276 nan 8.210 nan 0.000 0.472 328 C N 4.507 123.816 119.300 0.015 0.000 2.330 328 C HA 0.397 4.419 4.460 -0.729 0.000 0.344 328 C C 0.069 175.206 174.990 0.246 0.000 1.273 328 C CA -0.715 58.386 59.018 0.137 0.000 1.879 328 C CB 0.483 28.339 27.740 0.193 0.000 2.376 328 C HN 0.573 nan 8.230 nan 0.000 0.534 329 D N 0.800 121.299 120.400 0.167 0.000 2.168 329 D HA 0.228 4.431 4.640 -0.729 0.000 0.246 329 D C -0.512 175.715 176.300 -0.123 0.000 1.050 329 D CA -0.171 53.881 54.000 0.086 0.000 0.857 329 D CB 0.931 41.746 40.800 0.026 0.000 1.169 329 D HN 0.592 nan 8.370 nan 0.000 0.453 330 Y N 1.846 121.806 120.300 -0.566 0.000 2.402 330 Y HA 0.098 4.210 4.550 -0.729 0.000 0.333 330 Y C 0.095 175.671 175.900 -0.540 0.000 1.076 330 Y CA -0.060 57.377 58.100 -1.104 0.000 1.299 330 Y CB 0.637 38.262 38.460 -1.391 0.000 1.197 330 Y HN 0.172 nan 8.280 nan 0.000 0.517 331 D N 6.071 125.853 120.400 -1.030 0.000 2.396 331 D HA 0.068 4.270 4.640 -0.729 0.000 0.225 331 D C 0.288 176.015 176.300 -0.954 0.000 1.121 331 D CA -0.038 53.535 54.000 -0.713 0.000 0.853 331 D CB 0.795 41.296 40.800 -0.499 0.000 1.043 331 D HN 0.844 nan 8.370 nan 0.000 0.500 332 E N 1.196 121.027 120.200 -0.615 0.000 2.331 332 E HA -0.150 3.762 4.350 -0.729 0.000 0.199 332 E C 1.494 177.960 176.600 -0.225 0.000 1.008 332 E CA 0.794 56.979 56.400 -0.358 0.000 0.843 332 E CB 0.209 29.888 29.700 -0.034 0.000 0.761 332 E HN 0.437 nan 8.360 nan 0.000 0.507 333 S N -0.643 114.923 115.700 -0.224 0.000 2.556 333 S HA 0.018 4.050 4.470 -0.729 0.000 0.216 333 S C 1.588 176.107 174.600 -0.135 0.000 0.970 333 S CA 0.626 58.746 58.200 -0.132 0.000 0.912 333 S CB 0.355 63.497 63.200 -0.096 0.000 0.790 333 S HN 0.251 nan 8.310 nan 0.000 0.504 334 T N -4.575 109.847 114.554 -0.220 0.000 3.028 334 T HA 0.513 4.425 4.350 -0.729 0.000 0.262 334 T C 1.537 176.122 174.700 -0.191 0.000 0.916 334 T CA 0.617 62.615 62.100 -0.169 0.000 0.873 334 T CB -0.005 68.763 68.868 -0.167 0.000 1.232 334 T HN 1.151 nan 8.240 nan 0.000 0.529 335 G N 2.204 110.786 108.800 -0.363 0.000 2.184 335 G HA2 -0.263 3.259 3.960 -0.729 0.000 0.264 335 G HA3 -0.263 3.259 3.960 -0.729 0.000 0.264 335 G C 0.152 174.818 174.900 -0.391 0.000 0.975 335 G CA 0.087 45.037 45.100 -0.250 0.000 0.642 335 G HN 0.724 nan 8.290 nan 0.000 0.536 336 R N -1.257 118.856 120.500 -0.645 0.000 2.560 336 R HA 0.471 4.373 4.340 -0.729 0.000 0.270 336 R C -0.654 175.083 176.300 -0.938 0.000 1.074 336 R CA -0.383 55.103 56.100 -1.022 0.000 1.140 336 R CB 0.580 30.464 30.300 -0.694 0.000 1.073 336 R HN 0.206 nan 8.270 nan 0.000 0.527 337 W N 2.780 123.584 121.300 -0.828 0.000 2.296 337 W HA 0.400 4.623 4.660 -0.728 0.000 0.316 337 W C -0.381 176.082 176.519 -0.093 0.000 1.022 337 W CA -0.295 56.919 57.345 -0.218 0.000 1.324 337 W CB 0.603 30.076 29.460 0.021 0.000 1.227 337 W HN 0.279 nan 8.180 nan 0.000 0.409 338 I N 3.681 124.262 120.570 0.018 0.000 2.440 338 I HA 0.395 4.127 4.170 -0.729 0.000 0.294 338 I C 0.636 176.796 176.117 0.071 0.000 0.995 338 I CA -0.528 60.792 61.300 0.033 0.000 1.306 338 I CB 1.243 39.214 38.000 -0.048 0.000 1.407 338 I HN 0.313 nan 8.210 nan 0.000 0.501 339 S N 3.415 119.154 115.700 0.065 0.000 2.600 339 S HA 0.823 4.855 4.470 -0.729 0.000 0.300 339 S C -0.503 174.112 174.600 0.025 0.000 1.087 339 S CA -0.691 57.539 58.200 0.051 0.000 0.965 339 S CB 1.962 65.191 63.200 0.050 0.000 1.089 339 S HN 0.695 nan 8.310 nan 0.000 0.496 340 S N 0.227 115.940 115.700 0.021 0.000 2.549 340 S HA 0.497 4.530 4.470 -0.729 0.000 0.280 340 S C 0.575 175.172 174.600 -0.003 0.000 1.109 340 S CA -0.759 57.445 58.200 0.007 0.000 0.905 340 S CB 1.019 64.225 63.200 0.009 0.000 1.081 340 S HN 0.626 nan 8.310 nan 0.000 0.477 341 V N 1.847 121.751 119.914 -0.016 0.000 2.568 341 V HA -0.160 3.522 4.120 -0.729 0.000 0.253 341 V C 2.850 178.914 176.094 -0.050 0.000 1.072 341 V CA 2.449 64.730 62.300 -0.032 0.000 1.084 341 V CB -1.552 30.253 31.823 -0.030 0.000 0.676 341 V HN 1.016 nan 8.190 nan 0.000 0.469 342 A N -0.125 122.675 122.820 -0.034 0.000 1.969 342 A HA -0.123 3.760 4.320 -0.729 0.000 0.218 342 A C 2.193 179.747 177.584 -0.049 0.000 1.169 342 A CA 1.100 53.113 52.037 -0.040 0.000 0.635 342 A CB -0.326 18.669 19.000 -0.008 0.000 0.810 342 A HN 0.527 nan 8.150 nan 0.000 0.445 343 R N -0.108 120.392 120.500 -0.000 0.000 2.426 343 R HA 0.146 4.049 4.340 -0.729 0.000 0.263 343 R C -0.462 175.874 176.300 0.060 0.000 0.961 343 R CA -0.009 56.144 56.100 0.087 0.000 1.086 343 R CB 0.180 30.557 30.300 0.129 0.000 1.186 343 R HN 0.619 nan 8.270 nan 0.000 0.537 344 Q N 0.232 119.960 119.800 -0.120 0.000 2.282 344 Q HA 0.273 4.176 4.340 -0.729 0.000 0.260 344 Q C -1.069 174.740 176.000 -0.320 0.000 0.964 344 Q CA -0.498 55.255 55.803 -0.082 0.000 0.880 344 Q CB 1.874 30.586 28.738 -0.043 0.000 1.286 344 Q HN 0.199 nan 8.270 nan 0.000 0.445 345 H N 1.220 120.305 119.070 0.024 0.000 2.727 345 H HA 0.402 4.520 4.556 -0.729 0.000 0.330 345 H C -0.706 174.596 175.328 -0.044 0.000 0.986 345 H CA -0.371 55.687 56.048 0.017 0.000 1.251 345 H CB 0.887 30.661 29.762 0.020 0.000 1.493 345 H HN 0.442 nan 8.280 nan 0.000 0.515 346 I N 2.021 122.598 120.570 0.011 0.000 2.472 346 I HA 0.247 3.979 4.170 -0.729 0.000 0.290 346 I C 0.221 176.271 176.117 -0.111 0.000 1.016 346 I CA -0.191 61.029 61.300 -0.133 0.000 1.348 346 I CB 1.268 39.155 38.000 -0.189 0.000 1.417 346 I HN 0.597 nan 8.210 nan 0.000 0.521 347 E N 7.237 127.310 120.200 -0.213 0.000 2.281 347 E HA 0.535 4.448 4.350 -0.729 0.000 0.266 347 E C -1.441 175.047 176.600 -0.186 0.000 0.893 347 E CA -0.576 55.753 56.400 -0.119 0.000 0.798 347 E CB 1.860 31.532 29.700 -0.047 0.000 1.245 347 E HN 0.636 nan 8.360 nan 0.000 0.410 348 I N 0.343 120.840 120.570 -0.123 0.000 3.108 348 I HA 0.750 4.482 4.170 -0.729 0.000 0.312 348 I C -1.027 175.073 176.117 -0.028 0.000 1.095 348 I CA -0.783 60.468 61.300 -0.082 0.000 1.000 348 I CB 2.393 40.364 38.000 -0.048 0.000 1.229 348 I HN 0.344 nan 8.210 nan 0.000 0.454 349 S N 0.522 116.214 115.700 -0.015 0.000 2.571 349 S HA 0.490 4.523 4.470 -0.729 0.000 0.284 349 S C 0.258 174.837 174.600 -0.035 0.000 1.128 349 S CA 0.033 58.209 58.200 -0.039 0.000 0.970 349 S CB 1.423 64.566 63.200 -0.095 0.000 1.039 349 S HN 0.880 nan 8.310 nan 0.000 0.485 350 T N -0.088 114.445 114.554 -0.035 0.000 3.014 350 T HA 0.072 3.984 4.350 -0.729 0.000 0.250 350 T C 1.415 176.085 174.700 -0.049 0.000 1.060 350 T CA 0.814 62.898 62.100 -0.027 0.000 1.040 350 T CB -0.265 68.596 68.868 -0.011 0.000 0.971 350 T HN 0.672 nan 8.240 nan 0.000 0.497 351 T N -2.014 112.495 114.554 -0.075 0.000 3.054 351 T HA 0.652 4.565 4.350 -0.729 0.000 0.255 351 T C 1.065 175.598 174.700 -0.277 0.000 1.035 351 T CA 0.320 62.369 62.100 -0.085 0.000 0.941 351 T CB 0.507 69.386 68.868 0.018 0.000 1.026 351 T HN 0.616 nan 8.240 nan 0.000 0.533 352 G N 0.798 109.335 108.800 -0.440 0.000 2.623 352 G HA2 0.427 3.950 3.960 -0.729 0.000 0.085 352 G HA3 0.427 3.950 3.960 -0.729 0.000 0.085 352 G C -1.776 172.916 174.900 -0.346 0.000 1.116 352 G CA -0.390 44.322 45.100 -0.648 0.000 1.200 352 G HN 0.537 nan 8.290 nan 0.000 0.556 353 W N 0.194 121.222 121.300 -0.454 0.000 2.671 353 W HA 0.820 5.044 4.660 -0.726 0.000 0.360 353 W C -0.418 176.048 176.519 -0.089 0.000 1.128 353 W CA -1.433 55.779 57.345 -0.222 0.000 1.184 353 W CB 1.174 30.479 29.460 -0.258 0.000 1.415 353 W HN 0.307 nan 8.180 nan 0.000 0.604 354 V N 3.493 123.478 119.914 0.118 0.000 2.583 354 V HA 0.612 4.295 4.120 -0.729 0.000 0.287 354 V C 0.986 177.168 176.094 0.146 0.000 1.051 354 V CA 0.845 63.186 62.300 0.067 0.000 1.010 354 V CB 0.067 31.931 31.823 0.068 0.000 0.988 354 V HN 1.300 nan 8.190 nan 0.000 0.478 355 G N 5.384 114.229 108.800 0.075 0.000 2.697 355 G HA2 -0.235 3.288 3.960 -0.729 0.000 0.240 355 G HA3 -0.235 3.288 3.960 -0.729 0.000 0.240 355 G C 0.450 175.451 174.900 0.168 0.000 1.346 355 G CA 0.538 45.704 45.100 0.109 0.000 0.887 355 G HN 0.656 nan 8.290 nan 0.000 0.569 356 R N -1.570 119.023 120.500 0.156 0.000 2.046 356 R HA 0.291 4.193 4.340 -0.729 0.000 0.223 356 R C 2.307 178.627 176.300 0.035 0.000 1.179 356 R CA 1.815 57.967 56.100 0.086 0.000 0.952 356 R CB -0.147 30.163 30.300 0.018 0.000 0.843 356 R HN 0.409 nan 8.270 nan 0.000 0.439 357 F N -0.125 119.957 119.950 0.221 0.000 2.727 357 F HA 0.266 4.355 4.527 -0.729 0.000 0.302 357 F C 0.495 176.349 175.800 0.091 0.000 1.107 357 F CA -0.208 57.883 58.000 0.153 0.000 1.277 357 F CB 0.674 39.771 39.000 0.161 0.000 1.079 357 F HN -0.045 nan 8.300 nan 0.000 0.594 358 R N -0.617 120.049 120.500 0.275 0.000 2.712 358 R HA 0.367 4.269 4.340 -0.729 0.000 0.272 358 R C -3.303 173.090 176.300 0.154 0.000 1.032 358 R CA -1.805 54.400 56.100 0.175 0.000 0.874 358 R CB 0.505 30.890 30.300 0.143 0.000 1.256 358 R HN -0.343 nan 8.270 nan 0.000 0.468 359 P HA 0.053 nan 4.420 nan 0.000 0.269 359 P C -0.311 177.028 177.300 0.066 0.000 1.209 359 P CA -0.015 63.132 63.100 0.078 0.000 0.776 359 P CB 0.682 32.408 31.700 0.045 0.000 0.876 360 A N 2.997 125.858 122.820 0.070 0.000 2.425 360 A HA 0.150 4.032 4.320 -0.729 0.000 0.242 360 A C 0.590 178.191 177.584 0.028 0.000 1.077 360 A CA -0.260 51.826 52.037 0.082 0.000 0.781 360 A CB -0.139 18.927 19.000 0.111 0.000 1.020 360 A HN 0.511 nan 8.150 nan 0.000 0.494 361 E N 1.822 122.042 120.200 0.034 0.000 2.331 361 E HA 0.327 4.240 4.350 -0.729 0.000 0.272 361 E C -2.347 174.198 176.600 -0.092 0.000 1.036 361 E CA -1.601 54.755 56.400 -0.074 0.000 0.864 361 E CB 0.632 30.264 29.700 -0.113 0.000 1.035 361 E HN 0.479 nan 8.360 nan 0.000 0.408 362 P HA 0.186 nan 4.420 nan 0.000 0.282 362 P C -0.664 176.461 177.300 -0.292 0.000 1.249 362 P CA -0.188 62.732 63.100 -0.300 0.000 0.806 362 P CB 0.976 32.176 31.700 -0.834 0.000 0.984 363 H N 2.222 121.265 119.070 -0.045 0.000 2.792 363 H HA 0.287 4.406 4.556 -0.729 0.000 0.298 363 H C -0.182 175.223 175.328 0.130 0.000 1.042 363 H CA -0.307 55.809 56.048 0.112 0.000 1.300 363 H CB 0.259 30.111 29.762 0.150 0.000 1.431 363 H HN 0.297 nan 8.280 nan 0.000 0.496 364 F N 1.552 121.642 119.950 0.233 0.000 2.380 364 F HA 0.101 4.191 4.527 -0.730 0.000 0.325 364 F C 1.621 177.582 175.800 0.269 0.000 1.136 364 F CA -0.467 57.691 58.000 0.263 0.000 1.171 364 F CB 0.859 39.947 39.000 0.147 0.000 1.230 364 F HN 0.330 nan 8.300 nan 0.000 0.554 365 T N -1.976 112.852 114.554 0.456 0.000 2.849 365 T HA 0.151 4.063 4.350 -0.729 0.000 0.284 365 T C 1.143 176.018 174.700 0.290 0.000 1.004 365 T CA -0.623 61.679 62.100 0.336 0.000 1.021 365 T CB 1.139 70.188 68.868 0.302 0.000 1.013 365 T HN 0.505 nan 8.240 nan 0.000 0.527 366 S N 1.207 117.038 115.700 0.218 0.000 2.374 366 S HA -0.165 3.867 4.470 -0.729 0.000 0.227 366 S C 1.902 176.607 174.600 0.176 0.000 1.037 366 S CA 1.668 59.978 58.200 0.182 0.000 1.024 366 S CB -0.594 62.693 63.200 0.144 0.000 0.861 366 S HN 0.946 nan 8.310 nan 0.000 0.456 367 D N 0.240 120.745 120.400 0.174 0.000 2.219 367 D HA 0.006 4.208 4.640 -0.729 0.000 0.205 367 D C 1.461 177.870 176.300 0.182 0.000 0.970 367 D CA 1.014 55.109 54.000 0.158 0.000 0.851 367 D CB -0.641 40.245 40.800 0.143 0.000 0.943 367 D HN 0.523 nan 8.370 nan 0.000 0.488 368 G N 1.134 110.081 108.800 0.245 0.000 2.143 368 G HA2 -0.334 3.188 3.960 -0.729 0.000 0.249 368 G HA3 -0.334 3.188 3.960 -0.729 0.000 0.249 368 G C 0.612 175.710 174.900 0.331 0.000 0.981 368 G CA 0.391 45.671 45.100 0.300 0.000 0.665 368 G HN 0.469 nan 8.290 nan 0.000 0.528 369 N N -0.110 118.753 118.700 0.271 0.000 2.422 369 N HA 0.303 4.606 4.740 -0.729 0.000 0.181 369 N C 0.840 176.488 175.510 0.230 0.000 1.080 369 N CA 0.701 53.886 53.050 0.225 0.000 0.893 369 N CB 0.248 38.828 38.487 0.156 0.000 0.973 369 N HN 0.703 nan 8.380 nan 0.000 0.456 370 S N -0.275 115.592 115.700 0.278 0.000 2.596 370 S HA 0.665 4.697 4.470 -0.729 0.000 0.270 370 S C -1.277 173.430 174.600 0.178 0.000 1.155 370 S CA -1.100 57.193 58.200 0.155 0.000 0.827 370 S CB 1.274 64.543 63.200 0.114 0.000 1.130 370 S HN 0.162 nan 8.310 nan 0.000 0.467 371 F N -1.520 118.303 119.950 -0.212 0.000 2.662 371 F HA 0.856 4.945 4.527 -0.729 0.000 0.312 371 F C -2.199 173.405 175.800 -0.326 0.000 1.113 371 F CA -1.476 56.295 58.000 -0.383 0.000 0.951 371 F CB 0.711 39.020 39.000 -1.151 0.000 1.344 371 F HN 0.595 nan 8.300 nan 0.000 0.462 372 Y N 1.245 121.632 120.300 0.144 0.000 2.393 372 Y HA 0.669 4.782 4.550 -0.729 0.000 0.341 372 Y C -0.341 175.692 175.900 0.221 0.000 0.988 372 Y CA -0.950 57.219 58.100 0.114 0.000 1.078 372 Y CB 2.162 40.621 38.460 -0.002 0.000 1.203 372 Y HN 0.765 nan 8.280 nan 0.000 0.453 373 K N 3.246 123.853 120.400 0.345 0.000 2.543 373 K HA 0.536 4.418 4.320 -0.729 0.000 0.255 373 K C -1.735 175.005 176.600 0.232 0.000 0.934 373 K CA -0.551 55.903 56.287 0.279 0.000 0.810 373 K CB 1.589 34.201 32.500 0.187 0.000 1.315 373 K HN 0.741 nan 8.250 nan 0.000 0.433 374 I N 6.198 126.873 120.570 0.175 0.000 2.471 374 I HA 0.237 3.970 4.170 -0.729 0.000 0.286 374 I C 0.305 176.512 176.117 0.150 0.000 1.079 374 I CA -0.209 61.176 61.300 0.142 0.000 1.398 374 I CB 0.246 38.309 38.000 0.104 0.000 1.403 374 I HN 0.544 nan 8.210 nan 0.000 0.530 375 I N 1.372 122.056 120.570 0.190 0.000 3.195 375 I HA 0.484 4.216 4.170 -0.729 0.000 0.313 375 I C -0.560 175.677 176.117 0.200 0.000 1.237 375 I CA -0.875 60.535 61.300 0.182 0.000 0.963 375 I CB 2.145 40.276 38.000 0.220 0.000 1.278 375 I HN 0.220 nan 8.210 nan 0.000 0.460 376 S N 2.781 118.552 115.700 0.118 0.000 2.528 376 S HA 0.258 4.290 4.470 -0.729 0.000 0.277 376 S C -0.097 174.566 174.600 0.104 0.000 1.297 376 S CA -0.608 57.613 58.200 0.034 0.000 1.052 376 S CB 0.225 63.391 63.200 -0.057 0.000 0.917 376 S HN 0.770 nan 8.310 nan 0.000 0.492 377 N N 2.402 121.048 118.700 -0.090 0.000 2.431 377 N HA 0.179 4.481 4.740 -0.729 0.000 0.289 377 N C 0.629 176.046 175.510 -0.155 0.000 1.277 377 N CA -0.562 52.282 53.050 -0.343 0.000 0.972 377 N CB -0.059 37.832 38.487 -0.993 0.000 1.143 377 N HN 0.354 nan 8.380 nan 0.000 0.578 378 E N -0.330 119.766 120.200 -0.173 0.000 2.130 378 E HA -0.194 3.719 4.350 -0.729 0.000 0.196 378 E C 0.884 177.443 176.600 -0.069 0.000 0.998 378 E CA 1.763 58.111 56.400 -0.086 0.000 0.806 378 E CB -0.347 29.302 29.700 -0.085 0.000 0.738 378 E HN 0.749 nan 8.360 nan 0.000 0.459 379 E N -0.676 119.486 120.200 -0.063 0.000 2.489 379 E HA 0.157 4.070 4.350 -0.729 0.000 0.193 379 E C 0.819 177.440 176.600 0.035 0.000 1.057 379 E CA 0.321 56.739 56.400 0.031 0.000 0.866 379 E CB 0.289 30.046 29.700 0.094 0.000 0.916 379 E HN 0.361 nan 8.360 nan 0.000 0.500 380 G N 0.842 109.597 108.800 -0.076 0.000 2.157 380 G HA2 -0.282 3.241 3.960 -0.729 0.000 0.248 380 G HA3 -0.282 3.241 3.960 -0.729 0.000 0.248 380 G C -0.320 174.344 174.900 -0.394 0.000 0.979 380 G CA -0.155 44.800 45.100 -0.242 0.000 0.650 380 G HN 0.221 nan 8.290 nan 0.000 0.529 381 Y N 0.658 120.830 120.300 -0.214 0.000 2.334 381 Y HA 0.577 4.689 4.550 -0.729 0.000 0.328 381 Y C 0.950 176.651 175.900 -0.330 0.000 1.130 381 Y CA -0.692 57.244 58.100 -0.273 0.000 1.163 381 Y CB 1.128 39.425 38.460 -0.271 0.000 1.207 381 Y HN -0.019 nan 8.280 nan 0.000 0.471 382 K N 4.121 124.349 120.400 -0.287 0.000 2.285 382 K HA 0.289 4.172 4.320 -0.729 0.000 0.286 382 K C -0.800 175.498 176.600 -0.502 0.000 1.072 382 K CA -0.320 55.816 56.287 -0.252 0.000 0.913 382 K CB 0.378 32.793 32.500 -0.142 0.000 1.067 382 K HN 0.642 nan 8.250 nan 0.000 0.479 383 H N 1.332 120.366 119.070 -0.060 0.000 2.908 383 H HA 0.371 4.490 4.556 -0.729 0.000 0.350 383 H C -0.172 175.210 175.328 0.090 0.000 1.217 383 H CA -0.939 55.050 56.048 -0.099 0.000 1.168 383 H CB 1.404 31.012 29.762 -0.257 0.000 1.891 383 H HN 0.335 nan 8.280 nan 0.000 0.566 384 I N 1.314 121.962 120.570 0.131 0.000 2.396 384 I HA 0.053 3.786 4.170 -0.729 0.000 0.289 384 I C 0.326 176.465 176.117 0.037 0.000 1.056 384 I CA 0.068 61.404 61.300 0.060 0.000 1.365 384 I CB 0.366 38.309 38.000 -0.094 0.000 1.407 384 I HN 0.128 nan 8.210 nan 0.000 0.509 385 c N 6.565 125.121 118.600 -0.074 0.000 2.382 385 c HA 0.318 4.450 4.570 -0.729 0.000 0.327 385 c C 0.080 173.977 174.090 -0.321 0.000 1.250 385 c CA -0.427 55.618 56.329 -0.474 0.000 1.707 385 c CB 0.625 42.562 42.510 -0.956 0.000 2.272 385 c HN 0.759 nan 8.230 nan 0.000 0.506 386 H N 3.933 122.643 119.070 -0.602 0.000 2.652 386 H HA 0.479 4.598 4.556 -0.729 0.000 0.298 386 H C -1.152 173.683 175.328 -0.821 0.000 1.076 386 H CA -0.330 55.301 56.048 -0.694 0.000 1.360 386 H CB 0.414 29.879 29.762 -0.496 0.000 1.421 386 H HN 0.578 nan 8.280 nan 0.000 0.464 387 F N 2.498 121.925 119.950 -0.872 0.000 2.470 387 F HA 0.188 4.278 4.527 -0.729 0.000 0.329 387 F C 0.108 175.368 175.800 -0.901 0.000 1.072 387 F CA -0.855 56.514 58.000 -1.052 0.000 0.989 387 F CB 1.809 39.713 39.000 -1.827 0.000 1.193 387 F HN 0.511 nan 8.300 nan 0.000 0.481 388 Q N 0.556 120.141 119.800 -0.359 0.000 2.290 388 Q HA 0.309 4.211 4.340 -0.729 0.000 0.259 388 Q C 0.780 176.823 176.000 0.072 0.000 0.941 388 Q CA -0.058 55.642 55.803 -0.172 0.000 0.912 388 Q CB 1.735 30.391 28.738 -0.137 0.000 1.244 388 Q HN 0.763 nan 8.270 nan 0.000 0.441 389 T N 2.005 116.671 114.554 0.187 0.000 2.721 389 T HA -0.211 3.702 4.350 -0.729 0.000 0.268 389 T C 0.209 175.152 174.700 0.404 0.000 1.038 389 T CA 2.027 64.372 62.100 0.408 0.000 1.145 389 T CB -0.127 68.977 68.868 0.392 0.000 0.858 389 T HN 0.778 nan 8.240 nan 0.000 0.459 390 D N -0.060 120.473 120.400 0.223 0.000 2.463 390 D HA 0.154 4.357 4.640 -0.729 0.000 0.224 390 D C 0.016 176.358 176.300 0.070 0.000 1.174 390 D CA -0.360 53.721 54.000 0.134 0.000 0.829 390 D CB 0.260 41.112 40.800 0.087 0.000 0.993 390 D HN 0.082 nan 8.370 nan 0.000 0.497 391 K N -0.173 120.289 120.400 0.102 0.000 2.426 391 K HA 0.348 4.230 4.320 -0.729 0.000 0.251 391 K C 0.528 177.164 176.600 0.061 0.000 0.941 391 K CA -0.601 55.705 56.287 0.031 0.000 0.808 391 K CB 1.815 34.308 32.500 -0.013 0.000 1.265 391 K HN -0.001 nan 8.250 nan 0.000 0.432 392 S N -0.228 115.467 115.700 -0.008 0.000 2.501 392 S HA -0.083 3.949 4.470 -0.729 0.000 0.220 392 S C 0.483 175.103 174.600 0.033 0.000 0.997 392 S CA -0.002 58.209 58.200 0.018 0.000 0.919 392 S CB -0.599 62.579 63.200 -0.036 0.000 0.778 392 S HN 0.711 nan 8.310 nan 0.000 0.523 393 N N 1.439 120.103 118.700 -0.059 0.000 2.499 393 N HA 0.478 4.780 4.740 -0.729 0.000 0.281 393 N C -0.129 175.177 175.510 -0.341 0.000 1.098 393 N CA -0.580 52.373 53.050 -0.160 0.000 0.979 393 N CB 1.008 39.411 38.487 -0.139 0.000 1.121 393 N HN 0.471 nan 8.380 nan 0.000 0.466 394 c N -0.243 118.025 118.600 -0.553 0.000 2.771 394 c HA 0.809 4.941 4.570 -0.729 0.000 0.333 394 c C -0.375 173.320 174.090 -0.658 0.000 1.267 394 c CA -0.671 55.113 56.329 -0.908 0.000 1.721 394 c CB 1.147 42.497 42.510 -1.933 0.000 2.222 394 c HN 0.727 nan 8.230 nan 0.000 0.485 395 T N 1.936 116.124 114.554 -0.609 0.000 2.809 395 T HA 0.489 4.401 4.350 -0.729 0.000 0.284 395 T C -0.765 173.717 174.700 -0.364 0.000 0.992 395 T CA 0.127 62.020 62.100 -0.345 0.000 0.957 395 T CB 0.410 69.207 68.868 -0.118 0.000 0.942 395 T HN 0.493 nan 8.240 nan 0.000 0.439 396 F N 3.258 123.087 119.950 -0.202 0.000 2.529 396 F HA 0.246 4.335 4.527 -0.730 0.000 0.365 396 F C 1.631 177.266 175.800 -0.274 0.000 1.102 396 F CA -0.734 57.133 58.000 -0.222 0.000 1.271 396 F CB 0.458 39.335 39.000 -0.205 0.000 1.120 396 F HN 0.581 nan 8.300 nan 0.000 0.579 397 I N -0.609 119.835 120.570 -0.211 0.000 4.082 397 I HA 0.281 4.013 4.170 -0.729 0.000 0.337 397 I C -0.062 175.891 176.117 -0.273 0.000 1.352 397 I CA 0.040 61.009 61.300 -0.553 0.000 1.097 397 I CB 0.096 37.443 38.000 -1.089 0.000 1.048 397 I HN 0.486 nan 8.210 nan 0.000 0.393 398 T N -0.068 114.372 114.554 -0.190 0.000 2.900 398 T HA 0.708 4.621 4.350 -0.729 0.000 0.303 398 T C -0.836 173.449 174.700 -0.693 0.000 1.142 398 T CA -0.671 61.280 62.100 -0.250 0.000 1.007 398 T CB 2.819 71.593 68.868 -0.155 0.000 1.156 398 T HN 0.309 nan 8.240 nan 0.000 0.490 399 K N 0.224 120.057 120.400 -0.947 0.000 2.578 399 K HA 0.877 4.759 4.320 -0.729 0.000 0.287 399 K C -0.274 175.687 176.600 -1.065 0.000 1.010 399 K CA -0.422 55.013 56.287 -1.420 0.000 0.889 399 K CB 1.343 33.428 32.500 -0.692 0.000 1.514 399 K HN 1.877 nan 8.250 nan 0.000 0.424 400 G N -0.943 107.322 108.800 -0.892 0.000 2.351 400 G HA2 0.404 3.926 3.960 -0.729 0.000 0.353 400 G HA3 0.404 3.926 3.960 -0.729 0.000 0.353 400 G C -1.306 173.110 174.900 -0.805 0.000 1.358 400 G CA -0.245 44.491 45.100 -0.607 0.000 0.995 400 G HN 0.984 nan 8.290 nan 0.000 0.611 401 A N 0.915 123.394 122.820 -0.568 0.000 3.202 401 A HA 0.645 4.528 4.320 -0.729 0.000 0.258 401 A C 0.252 177.743 177.584 -0.156 0.000 1.572 401 A CA 0.578 52.079 52.037 -0.893 0.000 1.241 401 A CB -1.116 17.627 19.000 -0.428 0.000 1.127 401 A HN 1.717 nan 8.150 nan 0.000 0.648 402 W N -0.947 120.285 121.300 -0.113 0.000 2.959 402 W HA 0.656 4.878 4.660 -0.730 0.000 0.358 402 W C -1.147 175.409 176.519 0.061 0.000 1.228 402 W CA -0.779 56.618 57.345 0.088 0.000 1.183 402 W CB 0.340 29.822 29.460 0.036 0.000 1.467 402 W HN 0.224 nan 8.180 nan 0.000 0.578 403 E N 0.648 121.047 120.200 0.330 0.000 2.343 403 E HA 0.473 4.385 4.350 -0.729 0.000 0.270 403 E C -1.274 175.448 176.600 0.203 0.000 0.895 403 E CA -1.181 55.216 56.400 -0.006 0.000 0.767 403 E CB 3.334 33.059 29.700 0.043 0.000 1.248 403 E HN 0.150 nan 8.360 nan 0.000 0.440 404 V N 3.499 123.408 119.914 -0.009 0.000 2.461 404 V HA 0.037 3.720 4.120 -0.729 0.000 0.275 404 V C 1.174 177.362 176.094 0.156 0.000 1.047 404 V CA -0.157 62.223 62.300 0.134 0.000 0.955 404 V CB 0.707 32.499 31.823 -0.053 0.000 0.988 404 V HN 0.679 nan 8.190 nan 0.000 0.471 405 I N 3.201 123.900 120.570 0.215 0.000 2.333 405 I HA 0.230 3.963 4.170 -0.729 0.000 0.246 405 I C 1.123 177.361 176.117 0.201 0.000 1.106 405 I CA 1.232 62.659 61.300 0.212 0.000 1.411 405 I CB -0.882 37.198 38.000 0.134 0.000 1.082 405 I HN 0.756 nan 8.210 nan 0.000 0.420 406 G N 0.557 109.473 108.800 0.193 0.000 2.579 406 G HA2 0.487 4.009 3.960 -0.729 0.000 0.292 406 G HA3 0.487 4.009 3.960 -0.729 0.000 0.292 406 G C -1.242 173.739 174.900 0.136 0.000 1.484 406 G CA -0.648 44.552 45.100 0.167 0.000 0.813 406 G HN -0.031 nan 8.290 nan 0.000 0.515 407 I N 1.653 122.225 120.570 0.002 0.000 2.352 407 I HA 0.214 3.946 4.170 -0.729 0.000 0.290 407 I C 0.913 176.941 176.117 -0.150 0.000 1.036 407 I CA -0.498 60.697 61.300 -0.175 0.000 1.336 407 I CB 1.686 39.302 38.000 -0.641 0.000 1.407 407 I HN 0.517 nan 8.210 nan 0.000 0.497 408 E N 4.746 124.921 120.200 -0.043 0.000 2.166 408 E HA 0.234 4.146 4.350 -0.729 0.000 0.192 408 E C 0.264 176.770 176.600 -0.156 0.000 0.967 408 E CA 0.390 56.782 56.400 -0.014 0.000 0.840 408 E CB 0.675 30.417 29.700 0.070 0.000 0.795 408 E HN 0.736 nan 8.360 nan 0.000 0.470 409 A N 0.307 122.945 122.820 -0.303 0.000 2.609 409 A HA 0.639 4.522 4.320 -0.729 0.000 0.291 409 A C -1.907 175.601 177.584 -0.127 0.000 1.096 409 A CA -0.602 51.226 52.037 -0.349 0.000 0.684 409 A CB 1.486 19.857 19.000 -1.048 0.000 1.282 409 A HN 0.044 nan 8.150 nan 0.000 0.412 410 L N 1.052 122.249 121.223 -0.044 0.000 2.528 410 L HA 0.708 4.611 4.340 -0.729 0.000 0.267 410 L C 0.011 176.915 176.870 0.057 0.000 0.961 410 L CA 0.477 55.321 54.840 0.007 0.000 0.866 410 L CB 1.918 43.991 42.059 0.025 0.000 1.248 410 L HN 1.213 nan 8.230 nan 0.000 0.404 411 T N -0.238 114.365 114.554 0.082 0.000 2.905 411 T HA 0.456 4.368 4.350 -0.729 0.000 0.283 411 T C 1.016 175.747 174.700 0.053 0.000 1.031 411 T CA 0.059 62.217 62.100 0.097 0.000 1.002 411 T CB 1.253 70.219 68.868 0.164 0.000 1.200 411 T HN 0.660 nan 8.240 nan 0.000 0.560 412 S N -0.690 115.039 115.700 0.048 0.000 2.515 412 S HA -0.018 4.014 4.470 -0.729 0.000 0.231 412 S C 0.737 175.300 174.600 -0.063 0.000 0.987 412 S CA 0.614 58.826 58.200 0.020 0.000 0.936 412 S CB -0.405 62.816 63.200 0.035 0.000 0.766 412 S HN 0.703 nan 8.310 nan 0.000 0.528 413 D N -0.518 119.802 120.400 -0.133 0.000 2.431 413 D HA 0.250 4.453 4.640 -0.729 0.000 0.227 413 D C -0.301 175.605 176.300 -0.657 0.000 1.030 413 D CA 0.615 54.361 54.000 -0.425 0.000 0.897 413 D CB 0.285 40.734 40.800 -0.586 0.000 1.058 413 D HN 0.445 nan 8.370 nan 0.000 0.500 414 Y N -0.239 120.009 120.300 -0.086 0.000 2.634 414 Y HA 0.569 4.682 4.550 -0.729 0.000 0.340 414 Y C -0.545 175.191 175.900 -0.273 0.000 1.058 414 Y CA -1.142 56.825 58.100 -0.222 0.000 1.081 414 Y CB 2.311 40.541 38.460 -0.383 0.000 1.295 414 Y HN -0.300 nan 8.280 nan 0.000 0.487 415 L N 1.699 122.797 121.223 -0.209 0.000 2.406 415 L HA 0.585 4.488 4.340 -0.729 0.000 0.272 415 L C -1.990 174.721 176.870 -0.264 0.000 0.980 415 L CA -0.581 54.123 54.840 -0.226 0.000 0.831 415 L CB 1.027 42.884 42.059 -0.336 0.000 1.253 415 L HN 0.599 nan 8.230 nan 0.000 0.406 416 Y N 4.685 124.865 120.300 -0.200 0.000 2.342 416 Y HA 0.597 4.709 4.550 -0.729 0.000 0.334 416 Y C -0.286 175.558 175.900 -0.093 0.000 1.067 416 Y CA -0.411 57.543 58.100 -0.243 0.000 1.128 416 Y CB 1.299 39.433 38.460 -0.544 0.000 1.200 416 Y HN 0.541 nan 8.280 nan 0.000 0.464 417 Y N -0.478 119.848 120.300 0.043 0.000 2.705 417 Y HA 0.828 4.941 4.550 -0.729 0.000 0.332 417 Y C -1.863 174.113 175.900 0.127 0.000 1.221 417 Y CA -2.065 56.063 58.100 0.047 0.000 1.059 417 Y CB 1.209 39.679 38.460 0.016 0.000 1.298 417 Y HN 0.402 nan 8.280 nan 0.000 0.459 418 I N 2.568 123.328 120.570 0.316 0.000 2.509 418 I HA 0.649 4.382 4.170 -0.729 0.000 0.293 418 I C -0.642 175.681 176.117 0.343 0.000 1.020 418 I CA -0.589 60.849 61.300 0.231 0.000 1.088 418 I CB 2.174 40.260 38.000 0.143 0.000 1.267 418 I HN 0.876 nan 8.210 nan 0.000 0.430 419 S N 3.075 118.943 115.700 0.281 0.000 2.651 419 S HA 0.441 4.473 4.470 -0.729 0.000 0.279 419 S C -0.581 174.098 174.600 0.132 0.000 1.148 419 S CA -0.855 57.496 58.200 0.252 0.000 0.837 419 S CB 1.799 65.177 63.200 0.297 0.000 1.138 419 S HN 0.649 nan 8.310 nan 0.000 0.478 420 N N -0.379 118.403 118.700 0.137 0.000 2.380 420 N HA 0.129 4.431 4.740 -0.729 0.000 0.255 420 N C 0.538 176.064 175.510 0.026 0.000 1.158 420 N CA -0.196 52.892 53.050 0.064 0.000 0.878 420 N CB 0.231 38.747 38.487 0.048 0.000 1.138 420 N HN 0.858 nan 8.380 nan 0.000 0.509 421 E N 0.291 120.374 120.200 -0.195 0.000 2.072 421 E HA -0.232 3.681 4.350 -0.729 0.000 0.191 421 E C -0.076 176.383 176.600 -0.234 0.000 0.985 421 E CA 0.394 56.439 56.400 -0.592 0.000 0.801 421 E CB -0.198 28.462 29.700 -1.733 0.000 0.750 421 E HN 0.487 nan 8.360 nan 0.000 0.452 422 H N 0.907 119.902 119.070 -0.125 0.000 3.094 422 H HA -0.036 4.082 4.556 -0.729 0.000 0.320 422 H C 0.144 175.452 175.328 -0.034 0.000 1.000 422 H CA 1.131 57.153 56.048 -0.042 0.000 1.413 422 H CB 0.350 30.115 29.762 0.005 0.000 1.405 422 H HN 0.091 nan 8.280 nan 0.000 0.586 423 K N 2.948 123.078 120.400 -0.451 0.000 3.185 423 K HA -0.210 3.673 4.320 -0.729 0.000 0.298 423 K C 0.991 177.555 176.600 -0.061 0.000 1.178 423 K CA 1.336 57.454 56.287 -0.281 0.000 0.882 423 K CB -1.535 30.788 32.500 -0.295 0.000 1.218 423 K HN 1.106 nan 8.250 nan 0.000 0.454 424 G N -0.252 108.527 108.800 -0.035 0.000 2.225 424 G HA2 -0.349 3.173 3.960 -0.729 0.000 0.267 424 G HA3 -0.349 3.173 3.960 -0.729 0.000 0.267 424 G C 0.018 174.969 174.900 0.084 0.000 1.024 424 G CA 0.628 45.770 45.100 0.070 0.000 0.784 424 G HN 0.295 nan 8.290 nan 0.000 0.507 425 M N 1.062 120.625 119.600 -0.062 0.000 2.151 425 M HA 0.193 4.236 4.480 -0.729 0.000 0.349 425 M C -0.726 175.395 176.300 -0.299 0.000 1.284 425 M CA -1.871 53.229 55.300 -0.333 0.000 1.173 425 M CB 1.308 33.727 32.600 -0.303 0.000 1.469 425 M HN -0.035 nan 8.290 nan 0.000 0.439 426 P HA -0.101 nan 4.420 nan 0.000 0.222 426 P C 0.948 178.150 177.300 -0.164 0.000 1.147 426 P CA 1.216 64.226 63.100 -0.149 0.000 0.790 426 P CB 0.113 31.773 31.700 -0.066 0.000 0.780 427 G N -0.563 108.059 108.800 -0.298 0.000 3.314 427 G HA2 0.350 3.872 3.960 -0.729 0.000 0.238 427 G HA3 0.350 3.872 3.960 -0.729 0.000 0.238 427 G C 0.557 175.466 174.900 0.014 0.000 1.184 427 G CA 0.017 45.046 45.100 -0.118 0.000 0.806 427 G HN 0.427 nan 8.290 nan 0.000 0.536 428 G N -0.142 108.622 108.800 -0.060 0.000 2.473 428 G HA2 0.665 4.187 3.960 -0.729 0.000 0.321 428 G HA3 0.665 4.187 3.960 -0.729 0.000 0.321 428 G C -0.878 173.941 174.900 -0.135 0.000 1.200 428 G CA -0.783 44.315 45.100 -0.003 0.000 0.963 428 G HN 0.086 nan 8.290 nan 0.000 0.483 429 R N 1.028 121.402 120.500 -0.210 0.000 2.628 429 R HA 0.511 4.414 4.340 -0.729 0.000 0.288 429 R C -1.183 175.114 176.300 -0.005 0.000 0.980 429 R CA -0.861 55.099 56.100 -0.234 0.000 0.891 429 R CB 2.266 32.190 30.300 -0.627 0.000 1.188 429 R HN 0.603 nan 8.270 nan 0.000 0.450 430 N N 1.238 119.956 118.700 0.030 0.000 2.494 430 N HA 0.295 4.597 4.740 -0.729 0.000 0.270 430 N C -1.471 173.962 175.510 -0.129 0.000 1.285 430 N CA -0.782 52.211 53.050 -0.094 0.000 0.812 430 N CB 2.611 40.956 38.487 -0.238 0.000 1.557 430 N HN 0.248 nan 8.380 nan 0.000 0.487 431 L N 2.147 123.143 121.223 -0.378 0.000 2.276 431 L HA 0.487 4.389 4.340 -0.729 0.000 0.286 431 L C -1.413 175.138 176.870 -0.532 0.000 1.061 431 L CA 0.004 54.652 54.840 -0.320 0.000 0.807 431 L CB -0.166 41.702 42.059 -0.320 0.000 1.177 431 L HN 0.408 nan 8.230 nan 0.000 0.429 432 Y N 4.228 124.188 120.300 -0.566 0.000 2.562 432 Y HA 0.676 4.788 4.550 -0.729 0.000 0.343 432 Y C -0.125 175.391 175.900 -0.639 0.000 1.025 432 Y CA -0.764 56.927 58.100 -0.681 0.000 1.082 432 Y CB 1.680 39.513 38.460 -1.045 0.000 1.264 432 Y HN 0.512 nan 8.280 nan 0.000 0.478 433 R N 2.808 123.117 120.500 -0.318 0.000 2.575 433 R HA 0.669 4.571 4.340 -0.729 0.000 0.293 433 R C -1.997 174.207 176.300 -0.160 0.000 0.983 433 R CA -0.652 55.185 56.100 -0.438 0.000 0.887 433 R CB 1.550 31.461 30.300 -0.650 0.000 1.184 433 R HN 0.883 nan 8.270 nan 0.000 0.445 434 I N 3.043 123.573 120.570 -0.065 0.000 2.465 434 I HA 0.262 3.995 4.170 -0.729 0.000 0.291 434 I C -0.611 175.571 176.117 0.108 0.000 1.014 434 I CA -0.732 60.624 61.300 0.092 0.000 1.093 434 I CB 2.064 40.169 38.000 0.175 0.000 1.267 434 I HN 0.669 nan 8.210 nan 0.000 0.431 435 Q N 5.018 124.910 119.800 0.153 0.000 2.297 435 Q HA 0.098 4.001 4.340 -0.729 0.000 0.267 435 Q C 0.463 176.489 176.000 0.044 0.000 1.006 435 Q CA -0.409 55.422 55.803 0.046 0.000 0.896 435 Q CB 1.346 30.103 28.738 0.033 0.000 1.186 435 Q HN 0.652 nan 8.270 nan 0.000 0.392 436 L N 3.323 124.511 121.223 -0.058 0.000 2.275 436 L HA -0.181 3.722 4.340 -0.729 0.000 0.215 436 L C 1.499 178.360 176.870 -0.015 0.000 1.119 436 L CA 1.526 56.398 54.840 0.053 0.000 0.790 436 L CB -0.647 41.390 42.059 -0.036 0.000 0.919 436 L HN 0.671 nan 8.230 nan 0.000 0.443 437 N N -1.981 116.650 118.700 -0.114 0.000 2.270 437 N HA 0.026 4.328 4.740 -0.729 0.000 0.198 437 N C -0.449 174.933 175.510 -0.213 0.000 1.117 437 N CA 0.137 53.089 53.050 -0.163 0.000 0.845 437 N CB 0.171 38.586 38.487 -0.121 0.000 0.980 437 N HN 0.173 nan 8.380 nan 0.000 0.486 438 D N -0.656 119.624 120.400 -0.201 0.000 2.491 438 D HA 0.056 4.259 4.640 -0.729 0.000 0.232 438 D C -0.667 175.633 176.300 -0.001 0.000 1.334 438 D CA -0.547 53.359 54.000 -0.157 0.000 0.909 438 D CB -0.404 40.354 40.800 -0.071 0.000 1.513 438 D HN -0.067 nan 8.370 nan 0.000 0.514 439 Y N 1.069 121.376 120.300 0.012 0.000 2.736 439 Y HA -0.037 4.076 4.550 -0.729 0.000 0.298 439 Y C 2.272 178.192 175.900 0.033 0.000 1.156 439 Y CA 0.794 58.908 58.100 0.024 0.000 1.384 439 Y CB -0.876 37.599 38.460 0.025 0.000 0.976 439 Y HN 0.335 nan 8.280 nan 0.000 0.556 440 T N -0.696 113.946 114.554 0.146 0.000 2.896 440 T HA -0.048 3.865 4.350 -0.729 0.000 0.263 440 T C 0.825 175.581 174.700 0.094 0.000 1.050 440 T CA 0.645 62.804 62.100 0.099 0.000 1.140 440 T CB -0.057 68.841 68.868 0.051 0.000 0.877 440 T HN 0.155 nan 8.240 nan 0.000 0.457 441 K N 2.196 122.650 120.400 0.090 0.000 2.219 441 K HA 0.411 4.293 4.320 -0.729 0.000 0.280 441 K C -1.066 175.597 176.600 0.105 0.000 1.104 441 K CA -0.185 56.153 56.287 0.084 0.000 0.925 441 K CB 1.106 33.649 32.500 0.073 0.000 1.261 441 K HN 0.034 nan 8.250 nan 0.000 0.445 442 V N 2.678 122.653 119.914 0.101 0.000 2.577 442 V HA 0.407 4.089 4.120 -0.729 0.000 0.303 442 V C -0.983 175.157 176.094 0.077 0.000 1.042 442 V CA -0.205 62.163 62.300 0.114 0.000 0.872 442 V CB 2.035 33.968 31.823 0.184 0.000 0.998 442 V HN 0.625 nan 8.190 nan 0.000 0.423 443 T N 5.822 120.381 114.554 0.008 0.000 2.855 443 T HA 0.345 4.258 4.350 -0.729 0.000 0.281 443 T C -0.557 174.036 174.700 -0.179 0.000 1.007 443 T CA -0.277 61.782 62.100 -0.067 0.000 1.009 443 T CB 1.259 70.061 68.868 -0.111 0.000 0.983 443 T HN 0.910 nan 8.240 nan 0.000 0.455 444 C N 5.274 124.396 119.300 -0.297 0.000 2.246 444 C HA 0.441 4.463 4.460 -0.729 0.000 0.329 444 C C 1.669 176.346 174.990 -0.522 0.000 1.221 444 C CA -0.672 57.929 59.018 -0.696 0.000 1.697 444 C CB -2.122 25.108 27.740 -0.850 0.000 2.312 444 C HN 0.982 nan 8.230 nan 0.000 0.509 445 L N 4.540 125.455 121.223 -0.514 0.000 2.395 445 L HA 0.034 3.936 4.340 -0.729 0.000 0.218 445 L C 2.275 178.871 176.870 -0.457 0.000 1.130 445 L CA 1.234 55.847 54.840 -0.377 0.000 0.826 445 L CB -0.282 41.605 42.059 -0.288 0.000 0.941 445 L HN 0.882 nan 8.230 nan 0.000 0.451 446 S N -2.996 112.323 115.700 -0.635 0.000 2.524 446 S HA -0.026 4.006 4.470 -0.729 0.000 0.222 446 S C 1.962 176.211 174.600 -0.584 0.000 1.040 446 S CA 0.012 57.743 58.200 -0.783 0.000 0.915 446 S CB -0.371 61.994 63.200 -1.392 0.000 0.831 446 S HN 0.315 nan 8.310 nan 0.000 0.492 447 C N 2.193 121.135 119.300 -0.597 0.000 2.353 447 C HA -0.114 3.909 4.460 -0.729 0.000 0.272 447 C C 2.336 177.131 174.990 -0.324 0.000 1.165 447 C CA 1.712 60.369 59.018 -0.602 0.000 1.786 447 C CB -1.180 26.064 27.740 -0.828 0.000 2.071 447 C HN 0.624 nan 8.230 nan 0.000 0.451 448 E N -0.185 119.875 120.200 -0.233 0.000 2.465 448 E HA 0.217 4.130 4.350 -0.729 0.000 0.195 448 E C 1.729 178.293 176.600 -0.059 0.000 1.028 448 E CA -0.120 56.218 56.400 -0.103 0.000 0.899 448 E CB -0.171 29.482 29.700 -0.079 0.000 1.032 448 E HN 0.566 nan 8.360 nan 0.000 0.468 449 L N -0.251 120.935 121.223 -0.063 0.000 2.017 449 L HA -0.074 3.828 4.340 -0.729 0.000 0.208 449 L C 0.208 177.094 176.870 0.026 0.000 1.073 449 L CA 1.079 55.914 54.840 -0.007 0.000 0.745 449 L CB -0.044 42.026 42.059 0.018 0.000 0.894 449 L HN 0.080 nan 8.230 nan 0.000 0.432 450 N N -1.782 116.949 118.700 0.052 0.000 2.700 450 N HA 0.091 4.393 4.740 -0.729 0.000 0.242 450 N C -2.010 173.527 175.510 0.044 0.000 1.541 450 N CA -0.593 52.478 53.050 0.036 0.000 0.764 450 N CB 0.984 39.484 38.487 0.022 0.000 1.319 450 N HN -0.109 nan 8.380 nan 0.000 0.518 451 P HA -0.242 nan 4.420 nan 0.000 0.218 451 P C 0.513 177.848 177.300 0.059 0.000 1.150 451 P CA 1.544 64.684 63.100 0.067 0.000 0.841 451 P CB 0.601 32.343 31.700 0.069 0.000 0.784 452 E N -0.638 119.581 120.200 0.032 0.000 2.102 452 E HA -0.049 3.863 4.350 -0.729 0.000 0.190 452 E C 2.273 178.875 176.600 0.003 0.000 0.971 452 E CA 0.592 57.004 56.400 0.020 0.000 0.821 452 E CB -0.388 29.317 29.700 0.009 0.000 0.777 452 E HN 0.319 nan 8.360 nan 0.000 0.460 453 R N -0.209 120.281 120.500 -0.015 0.000 2.173 453 R HA 0.081 3.983 4.340 -0.729 0.000 0.208 453 R C -0.075 176.178 176.300 -0.078 0.000 1.035 453 R CA 0.514 56.583 56.100 -0.051 0.000 1.004 453 R CB 0.391 30.649 30.300 -0.069 0.000 0.917 453 R HN 0.011 nan 8.270 nan 0.000 0.462 454 c N 0.836 119.400 118.600 -0.059 0.000 2.344 454 c HA 0.415 4.548 4.570 -0.729 0.000 0.326 454 c C 0.012 174.101 174.090 -0.001 0.000 1.201 454 c CA -0.696 55.545 56.329 -0.147 0.000 1.410 454 c CB 1.447 43.801 42.510 -0.259 0.000 2.070 454 c HN 0.518 nan 8.230 nan 0.000 0.445 455 Q N 0.360 120.162 119.800 0.004 0.000 2.113 455 Q HA 0.189 4.091 4.340 -0.729 0.000 0.225 455 Q C -0.908 175.197 176.000 0.174 0.000 0.786 455 Q CA 0.099 55.982 55.803 0.134 0.000 0.989 455 Q CB 1.348 30.161 28.738 0.125 0.000 1.174 455 Q HN 0.791 nan 8.270 nan 0.000 0.470 456 Y N 0.527 120.794 120.300 -0.056 0.000 2.402 456 Y HA 0.403 4.516 4.550 -0.729 0.000 0.325 456 Y C -1.614 174.277 175.900 -0.015 0.000 1.009 456 Y CA -1.072 57.047 58.100 0.031 0.000 1.278 456 Y CB 0.728 39.220 38.460 0.053 0.000 1.105 456 Y HN -0.099 nan 8.280 nan 0.000 0.476 457 Y N 1.977 122.287 120.300 0.016 0.000 2.598 457 Y HA 0.711 4.824 4.550 -0.729 0.000 0.340 457 Y C 0.084 176.043 175.900 0.098 0.000 1.038 457 Y CA -0.744 57.388 58.100 0.054 0.000 1.100 457 Y CB 2.339 40.761 38.460 -0.062 0.000 1.281 457 Y HN 0.483 nan 8.280 nan 0.000 0.488 458 S N 0.609 116.535 115.700 0.377 0.000 2.627 458 S HA 0.987 5.020 4.470 -0.729 0.000 0.283 458 S C -1.288 173.467 174.600 0.258 0.000 1.127 458 S CA -0.557 57.837 58.200 0.323 0.000 0.863 458 S CB 2.053 65.525 63.200 0.453 0.000 1.121 458 S HN 1.100 nan 8.310 nan 0.000 0.479 459 A N 0.441 123.405 122.820 0.239 0.000 2.556 459 A HA 0.886 4.768 4.320 -0.729 0.000 0.294 459 A C -0.718 177.023 177.584 0.262 0.000 1.091 459 A CA -0.668 51.490 52.037 0.202 0.000 0.704 459 A CB 1.696 20.770 19.000 0.123 0.000 1.300 459 A HN 1.392 nan 8.150 nan 0.000 0.406 460 S N 0.574 116.408 115.700 0.223 0.000 2.779 460 S HA 0.692 4.725 4.470 -0.729 0.000 0.293 460 S C -1.466 173.266 174.600 0.220 0.000 1.150 460 S CA -0.347 58.055 58.200 0.337 0.000 1.057 460 S CB -0.160 63.296 63.200 0.427 0.000 1.021 460 S HN 0.444 nan 8.310 nan 0.000 0.485 461 F N 3.058 123.027 119.950 0.032 0.000 2.379 461 F HA 0.490 4.580 4.527 -0.730 0.000 0.332 461 F C 1.347 176.735 175.800 -0.688 0.000 1.096 461 F CA -0.357 57.489 58.000 -0.258 0.000 1.105 461 F CB 1.553 40.395 39.000 -0.263 0.000 1.189 461 F HN 0.625 nan 8.300 nan 0.000 0.515 462 S N 1.318 116.412 115.700 -1.010 0.000 2.641 462 S HA 0.310 4.343 4.470 -0.729 0.000 0.261 462 S C -0.176 174.252 174.600 -0.286 0.000 1.257 462 S CA -1.020 56.492 58.200 -1.146 0.000 0.983 462 S CB 0.190 62.664 63.200 -1.210 0.000 0.990 462 S HN 0.656 nan 8.310 nan 0.000 0.572 463 N N 0.957 119.615 118.700 -0.069 0.000 2.441 463 N HA 0.101 4.403 4.740 -0.729 0.000 0.251 463 N C -0.020 175.511 175.510 0.034 0.000 1.242 463 N CA -0.132 52.944 53.050 0.044 0.000 0.898 463 N CB 0.072 38.625 38.487 0.111 0.000 1.100 463 N HN 0.650 nan 8.380 nan 0.000 0.443 464 K N 0.628 121.058 120.400 0.048 0.000 3.426 464 K HA -0.306 3.577 4.320 -0.729 0.000 0.315 464 K C 0.060 176.672 176.600 0.019 0.000 1.293 464 K CA 0.537 56.852 56.287 0.048 0.000 0.955 464 K CB -1.316 31.223 32.500 0.064 0.000 1.238 464 K HN 0.878 nan 8.250 nan 0.000 0.441 465 A N -0.121 122.693 122.820 -0.010 0.000 2.745 465 A HA -0.322 3.560 4.320 -0.729 0.000 0.296 465 A C 1.070 178.649 177.584 -0.008 0.000 1.500 465 A CA 1.994 54.035 52.037 0.006 0.000 0.766 465 A CB -1.348 17.546 19.000 -0.176 0.000 1.030 465 A HN 0.514 nan 8.150 nan 0.000 0.489 466 K N -2.020 118.323 120.400 -0.096 0.000 2.186 466 K HA 0.163 4.045 4.320 -0.729 0.000 0.202 466 K C 0.098 176.357 176.600 -0.569 0.000 1.052 466 K CA 1.264 57.370 56.287 -0.302 0.000 0.965 466 K CB 0.178 32.480 32.500 -0.330 0.000 0.746 466 K HN 0.711 nan 8.250 nan 0.000 0.457 467 Y N -0.825 119.415 120.300 -0.101 0.000 2.609 467 Y HA 0.341 4.454 4.550 -0.729 0.000 0.342 467 Y C -0.759 174.969 175.900 -0.287 0.000 1.058 467 Y CA -1.594 56.422 58.100 -0.140 0.000 1.055 467 Y CB 1.668 40.095 38.460 -0.054 0.000 1.292 467 Y HN -0.039 nan 8.280 nan 0.000 0.476 468 Y N -1.194 119.003 120.300 -0.172 0.000 2.552 468 Y HA 0.507 4.620 4.550 -0.729 0.000 0.337 468 Y C -1.399 174.485 175.900 -0.026 0.000 1.094 468 Y CA -1.480 56.362 58.100 -0.429 0.000 1.028 468 Y CB 1.454 39.027 38.460 -1.479 0.000 1.321 468 Y HN 0.613 nan 8.280 nan 0.000 0.456 469 Q N 3.331 123.241 119.800 0.184 0.000 2.271 469 Q HA 0.594 4.497 4.340 -0.729 0.000 0.258 469 Q C -1.842 174.247 176.000 0.150 0.000 0.936 469 Q CA -0.765 55.117 55.803 0.132 0.000 0.909 469 Q CB 1.483 30.304 28.738 0.138 0.000 1.253 469 Q HN 0.960 nan 8.270 nan 0.000 0.440 470 L N 4.308 125.612 121.223 0.134 0.000 2.307 470 L HA 0.555 4.458 4.340 -0.729 0.000 0.284 470 L C -0.472 176.415 176.870 0.029 0.000 1.023 470 L CA -0.629 54.290 54.840 0.132 0.000 0.810 470 L CB 1.473 43.586 42.059 0.089 0.000 1.231 470 L HN 0.653 nan 8.230 nan 0.000 0.423 471 R N 2.733 123.214 120.500 -0.031 0.000 2.388 471 R HA 0.336 4.238 4.340 -0.729 0.000 0.314 471 R C -1.086 174.769 176.300 -0.742 0.000 0.959 471 R CA -0.521 55.250 56.100 -0.548 0.000 0.851 471 R CB 1.737 31.777 30.300 -0.433 0.000 1.168 471 R HN 0.555 nan 8.270 nan 0.000 0.472 472 c N 4.630 122.635 118.600 -0.993 0.000 2.273 472 c HA 0.472 4.605 4.570 -0.729 0.000 0.328 472 c C 0.410 173.977 174.090 -0.873 0.000 1.275 472 c CA -0.555 55.175 56.329 -0.999 0.000 1.704 472 c CB -0.746 41.237 42.510 -0.878 0.000 2.326 472 c HN 0.962 nan 8.230 nan 0.000 0.517 473 F N 4.452 124.281 119.950 -0.201 0.000 2.653 473 F HA 0.482 4.572 4.527 -0.728 0.000 0.304 473 F C 1.425 177.198 175.800 -0.046 0.000 1.092 473 F CA 0.658 58.613 58.000 -0.076 0.000 1.279 473 F CB 0.204 39.188 39.000 -0.027 0.000 1.044 473 F HN 1.020 nan 8.300 nan 0.000 0.564 474 G N 0.297 109.111 108.800 0.024 0.000 2.359 474 G HA2 0.069 3.592 3.960 -0.729 0.000 0.293 474 G HA3 0.069 3.592 3.960 -0.729 0.000 0.293 474 G C -2.516 172.388 174.900 0.007 0.000 1.300 474 G CA -0.692 44.435 45.100 0.046 0.000 0.888 474 G HN -0.290 nan 8.290 nan 0.000 0.541 475 P HA 0.108 nan 4.420 nan 0.000 0.230 475 P C 1.284 178.625 177.300 0.067 0.000 1.158 475 P CA 1.530 64.669 63.100 0.066 0.000 0.769 475 P CB 0.205 31.935 31.700 0.050 0.000 0.807 476 G N 0.317 109.093 108.800 -0.040 0.000 2.510 476 G HA2 0.408 3.931 3.960 -0.729 0.000 0.280 476 G HA3 0.408 3.931 3.960 -0.729 0.000 0.280 476 G C -0.281 174.401 174.900 -0.363 0.000 1.386 476 G CA -0.778 44.229 45.100 -0.155 0.000 1.047 476 G HN 0.035 nan 8.290 nan 0.000 0.527 477 L N 1.265 122.176 121.223 -0.520 0.000 2.490 477 L HA 0.141 4.044 4.340 -0.729 0.000 0.274 477 L C -1.863 174.814 176.870 -0.321 0.000 1.201 477 L CA -1.212 53.238 54.840 -0.650 0.000 0.869 477 L CB 0.516 42.297 42.059 -0.463 0.000 1.123 477 L HN 0.234 nan 8.230 nan 0.000 0.484 478 P HA -0.006 nan 4.420 nan 0.000 0.266 478 P C -0.913 176.310 177.300 -0.129 0.000 1.186 478 P CA 0.111 63.130 63.100 -0.135 0.000 0.767 478 P CB 0.508 32.275 31.700 0.112 0.000 0.820 479 L N 4.552 125.588 121.223 -0.312 0.000 2.476 479 L HA 0.464 4.366 4.340 -0.729 0.000 0.269 479 L C -1.829 174.842 176.870 -0.331 0.000 0.965 479 L CA -0.582 54.146 54.840 -0.186 0.000 0.845 479 L CB 0.932 42.890 42.059 -0.169 0.000 1.259 479 L HN 0.192 nan 8.230 nan 0.000 0.403 480 Y N 2.589 122.801 120.300 -0.147 0.000 2.360 480 Y HA 0.804 4.916 4.550 -0.730 0.000 0.337 480 Y C 0.593 176.372 175.900 -0.202 0.000 1.039 480 Y CA -0.462 57.542 58.100 -0.160 0.000 1.109 480 Y CB 2.130 40.496 38.460 -0.156 0.000 1.201 480 Y HN 0.684 nan 8.280 nan 0.000 0.458 481 T N 1.270 115.798 114.554 -0.044 0.000 2.896 481 T HA 0.598 4.510 4.350 -0.729 0.000 0.297 481 T C -1.625 172.979 174.700 -0.160 0.000 1.108 481 T CA -0.931 61.090 62.100 -0.132 0.000 1.004 481 T CB 1.843 70.687 68.868 -0.041 0.000 1.159 481 T HN 0.519 nan 8.240 nan 0.000 0.499 482 L N 2.067 123.085 121.223 -0.342 0.000 2.322 482 L HA 0.638 4.541 4.340 -0.729 0.000 0.281 482 L C -1.356 175.208 176.870 -0.510 0.000 1.014 482 L CA -0.414 54.260 54.840 -0.277 0.000 0.815 482 L CB 1.100 43.033 42.059 -0.211 0.000 1.247 482 L HN 0.941 nan 8.230 nan 0.000 0.421 483 H N 1.270 120.071 119.070 -0.447 0.000 2.865 483 H HA 0.443 4.562 4.556 -0.729 0.000 0.372 483 H C -0.640 174.469 175.328 -0.364 0.000 1.173 483 H CA -0.447 55.270 56.048 -0.551 0.000 1.147 483 H CB 1.984 31.105 29.762 -1.069 0.000 1.805 483 H HN 0.517 nan 8.280 nan 0.000 0.553 484 S N -0.075 115.604 115.700 -0.034 0.000 2.525 484 S HA 0.240 4.272 4.470 -0.729 0.000 0.290 484 S C 0.585 175.195 174.600 0.016 0.000 1.152 484 S CA -0.563 57.642 58.200 0.007 0.000 1.072 484 S CB 0.891 64.123 63.200 0.053 0.000 1.027 484 S HN 0.630 nan 8.310 nan 0.000 0.500 485 S N 2.713 118.401 115.700 -0.021 0.000 2.461 485 S HA -0.057 3.975 4.470 -0.729 0.000 0.228 485 S C 2.072 176.690 174.600 0.030 0.000 1.005 485 S CA 1.023 59.294 58.200 0.118 0.000 0.942 485 S CB -0.209 63.047 63.200 0.092 0.000 0.776 485 S HN 0.879 nan 8.310 nan 0.000 0.514 486 S N 2.133 117.811 115.700 -0.036 0.000 2.348 486 S HA -0.046 3.986 4.470 -0.729 0.000 0.219 486 S C 1.826 176.425 174.600 -0.001 0.000 1.033 486 S CA 1.149 59.338 58.200 -0.018 0.000 0.974 486 S CB -0.527 62.653 63.200 -0.033 0.000 0.868 486 S HN 0.529 nan 8.310 nan 0.000 0.459 487 S N 0.135 115.839 115.700 0.007 0.000 2.540 487 S HA 0.228 4.260 4.470 -0.729 0.000 0.218 487 S C 0.104 174.719 174.600 0.025 0.000 0.977 487 S CA 0.339 58.548 58.200 0.015 0.000 0.918 487 S CB -0.276 62.936 63.200 0.020 0.000 0.806 487 S HN 0.302 nan 8.310 nan 0.000 0.496 488 D N 1.087 121.516 120.400 0.048 0.000 3.059 488 D HA -0.189 4.013 4.640 -0.729 0.000 0.222 488 D C 0.097 176.448 176.300 0.086 0.000 1.185 488 D CA 1.402 55.450 54.000 0.081 0.000 0.904 488 D CB -1.115 39.706 40.800 0.035 0.000 1.122 488 D HN 0.706 nan 8.370 nan 0.000 0.410 489 K N 1.126 121.557 120.400 0.051 0.000 2.237 489 K HA 0.114 3.996 4.320 -0.729 0.000 0.270 489 K C 0.195 176.783 176.600 -0.020 0.000 1.015 489 K CA -0.281 56.020 56.287 0.024 0.000 0.949 489 K CB 0.667 33.171 32.500 0.006 0.000 0.976 489 K HN 0.026 nan 8.250 nan 0.000 0.472 490 E N 5.815 125.957 120.200 -0.095 0.000 1.941 490 E HA 0.008 3.921 4.350 -0.729 0.000 0.275 490 E C 0.882 177.312 176.600 -0.283 0.000 1.113 490 E CA -0.536 55.634 56.400 -0.384 0.000 0.878 490 E CB 0.333 29.837 29.700 -0.326 0.000 1.070 490 E HN 0.595 nan 8.360 nan 0.000 0.399 491 L N 4.001 125.062 121.223 -0.271 0.000 2.013 491 L HA -0.159 3.744 4.340 -0.729 0.000 0.212 491 L C 1.392 178.163 176.870 -0.165 0.000 1.073 491 L CA 1.939 56.685 54.840 -0.155 0.000 0.753 491 L CB -1.672 40.320 42.059 -0.111 0.000 0.890 491 L HN 0.739 nan 8.230 nan 0.000 0.432 492 R N -2.751 117.606 120.500 -0.238 0.000 2.780 492 R HA 0.393 4.296 4.340 -0.729 0.000 0.280 492 R C -1.695 174.459 176.300 -0.243 0.000 1.016 492 R CA -0.786 55.194 56.100 -0.201 0.000 0.854 492 R CB 1.388 31.596 30.300 -0.153 0.000 1.293 492 R HN -0.268 nan 8.270 nan 0.000 0.483 493 V N 2.917 122.714 119.914 -0.196 0.000 2.364 493 V HA 0.220 3.902 4.120 -0.729 0.000 0.272 493 V C 1.296 177.235 176.094 -0.259 0.000 1.036 493 V CA -0.483 61.701 62.300 -0.193 0.000 0.880 493 V CB 1.099 32.847 31.823 -0.124 0.000 0.991 493 V HN 0.627 nan 8.190 nan 0.000 0.460 494 L N 2.760 123.752 121.223 -0.385 0.000 2.162 494 L HA 0.238 4.140 4.340 -0.729 0.000 0.205 494 L C 0.764 177.390 176.870 -0.408 0.000 1.086 494 L CA 0.830 55.246 54.840 -0.707 0.000 0.778 494 L CB 0.163 41.394 42.059 -1.380 0.000 0.928 494 L HN 0.674 nan 8.230 nan 0.000 0.446 495 E N -0.092 120.000 120.200 -0.179 0.000 2.406 495 E HA 0.071 3.984 4.350 -0.729 0.000 0.297 495 E C -1.182 175.442 176.600 0.039 0.000 0.917 495 E CA -0.322 56.060 56.400 -0.030 0.000 0.795 495 E CB 0.984 30.679 29.700 -0.009 0.000 1.285 495 E HN 0.150 nan 8.360 nan 0.000 0.400 496 D N 3.414 123.817 120.400 0.006 0.000 2.469 496 D HA 0.126 4.328 4.640 -0.729 0.000 0.215 496 D C -0.279 176.017 176.300 -0.007 0.000 1.154 496 D CA -0.259 53.739 54.000 -0.003 0.000 0.832 496 D CB -0.067 40.715 40.800 -0.031 0.000 1.008 496 D HN 0.466 nan 8.370 nan 0.000 0.506 497 N N 0.746 119.453 118.700 0.012 0.000 2.708 497 N HA -0.220 4.082 4.740 -0.729 0.000 0.249 497 N C 1.046 176.554 175.510 -0.003 0.000 1.097 497 N CA 0.936 53.991 53.050 0.009 0.000 0.710 497 N CB -1.362 37.129 38.487 0.005 0.000 1.032 497 N HN 0.499 nan 8.380 nan 0.000 0.551 498 S N -1.288 114.410 115.700 -0.005 0.000 2.419 498 S HA -0.051 3.982 4.470 -0.729 0.000 0.233 498 S C 2.052 176.661 174.600 0.015 0.000 1.016 498 S CA 0.974 59.172 58.200 -0.003 0.000 0.974 498 S CB -0.048 63.149 63.200 -0.005 0.000 0.786 498 S HN 0.499 nan 8.310 nan 0.000 0.492 499 A N 1.953 124.788 122.820 0.024 0.000 1.873 499 A HA 0.118 4.001 4.320 -0.729 0.000 0.215 499 A C 2.212 179.839 177.584 0.073 0.000 1.186 499 A CA 1.475 53.537 52.037 0.041 0.000 0.616 499 A CB -0.895 18.125 19.000 0.033 0.000 0.823 499 A HN 0.538 nan 8.150 nan 0.000 0.442 500 L N 0.476 121.748 121.223 0.082 0.000 2.046 500 L HA -0.161 3.742 4.340 -0.729 0.000 0.208 500 L C 1.868 178.801 176.870 0.105 0.000 1.077 500 L CA 2.808 57.729 54.840 0.135 0.000 0.747 500 L CB -0.858 41.276 42.059 0.126 0.000 0.896 500 L HN 0.505 nan 8.230 nan 0.000 0.432 501 D N -0.738 119.685 120.400 0.038 0.000 2.116 501 D HA -0.287 3.916 4.640 -0.729 0.000 0.193 501 D C 2.182 178.509 176.300 0.045 0.000 0.998 501 D CA 1.530 55.538 54.000 0.012 0.000 0.836 501 D CB 0.003 40.794 40.800 -0.015 0.000 0.951 501 D HN 0.234 nan 8.370 nan 0.000 0.449 502 K N -0.071 120.363 120.400 0.057 0.000 2.009 502 K HA -0.131 3.751 4.320 -0.729 0.000 0.210 502 K C 2.123 178.788 176.600 0.108 0.000 1.049 502 K CA 1.557 57.884 56.287 0.067 0.000 0.929 502 K CB -0.353 32.182 32.500 0.059 0.000 0.714 502 K HN 0.222 nan 8.250 nan 0.000 0.440 503 M N 0.051 119.749 119.600 0.164 0.000 2.108 503 M HA -0.164 3.878 4.480 -0.729 0.000 0.261 503 M C 2.055 178.529 176.300 0.289 0.000 1.066 503 M CA 1.587 57.055 55.300 0.281 0.000 1.107 503 M CB -0.367 32.493 32.600 0.434 0.000 1.356 503 M HN 0.122 nan 8.290 nan 0.000 0.406 504 L N 0.177 121.499 121.223 0.166 0.000 2.291 504 L HA -0.180 3.722 4.340 -0.729 0.000 0.214 504 L C 2.608 179.499 176.870 0.034 0.000 1.120 504 L CA 0.848 55.704 54.840 0.027 0.000 0.799 504 L CB -0.706 41.343 42.059 -0.017 0.000 0.925 504 L HN 0.477 nan 8.230 nan 0.000 0.446 505 Q N -0.804 119.029 119.800 0.056 0.000 2.488 505 Q HA -0.184 3.719 4.340 -0.729 0.000 0.211 505 Q C 1.232 177.269 176.000 0.062 0.000 0.967 505 Q CA 1.095 56.924 55.803 0.044 0.000 0.926 505 Q CB -0.178 28.583 28.738 0.038 0.000 0.992 505 Q HN 0.412 nan 8.270 nan 0.000 0.506 506 D N 0.690 121.145 120.400 0.091 0.000 2.349 506 D HA 0.055 4.258 4.640 -0.729 0.000 0.214 506 D C -0.472 175.898 176.300 0.116 0.000 1.063 506 D CA 0.003 54.067 54.000 0.106 0.000 0.847 506 D CB 1.012 41.891 40.800 0.132 0.000 0.933 506 D HN 0.130 nan 8.370 nan 0.000 0.513 507 V N 0.843 120.814 119.914 0.096 0.000 2.823 507 V HA 0.287 3.969 4.120 -0.729 0.000 0.312 507 V C -0.972 175.160 176.094 0.063 0.000 1.072 507 V CA -0.706 61.649 62.300 0.091 0.000 0.937 507 V CB 2.110 33.980 31.823 0.078 0.000 1.013 507 V HN -0.114 nan 8.190 nan 0.000 0.430 508 Q N 5.872 125.727 119.800 0.091 0.000 2.513 508 Q HA 0.291 4.194 4.340 -0.729 0.000 0.227 508 Q C -0.357 175.673 176.000 0.049 0.000 1.257 508 Q CA -0.072 55.787 55.803 0.094 0.000 0.915 508 Q CB 0.448 29.279 28.738 0.154 0.000 1.507 508 Q HN 0.571 nan 8.270 nan 0.000 0.543 509 M N 3.757 123.355 119.600 -0.004 0.000 2.250 509 M HA 0.329 4.371 4.480 -0.729 0.000 0.344 509 M C -1.912 174.346 176.300 -0.069 0.000 1.150 509 M CA -2.195 53.071 55.300 -0.057 0.000 1.147 509 M CB 0.115 32.669 32.600 -0.077 0.000 1.498 509 M HN 0.331 nan 8.290 nan 0.000 0.461 510 P HA 0.296 nan 4.420 nan 0.000 0.279 510 P C -1.010 176.213 177.300 -0.129 0.000 1.276 510 P CA -0.421 62.603 63.100 -0.127 0.000 0.801 510 P CB 0.746 32.347 31.700 -0.164 0.000 1.127 511 S N -1.117 114.492 115.700 -0.151 0.000 2.532 511 S HA 0.547 4.579 4.470 -0.729 0.000 0.301 511 S C -0.568 173.942 174.600 -0.150 0.000 1.083 511 S CA -0.834 57.288 58.200 -0.129 0.000 1.025 511 S CB 1.802 64.930 63.200 -0.120 0.000 1.056 511 S HN 0.468 nan 8.310 nan 0.000 0.494 512 K N 1.405 121.743 120.400 -0.103 0.000 2.307 512 K HA 0.390 4.273 4.320 -0.729 0.000 0.263 512 K C -1.037 175.522 176.600 -0.068 0.000 0.973 512 K CA -0.514 55.718 56.287 -0.091 0.000 0.846 512 K CB 0.967 33.431 32.500 -0.060 0.000 1.100 512 K HN 0.732 nan 8.250 nan 0.000 0.438 513 K N 5.328 125.680 120.400 -0.081 0.000 2.292 513 K HA 0.339 4.222 4.320 -0.729 0.000 0.257 513 K C -1.473 175.099 176.600 -0.046 0.000 0.940 513 K CA -0.766 55.487 56.287 -0.057 0.000 0.811 513 K CB 1.013 33.464 32.500 -0.082 0.000 1.120 513 K HN 0.427 nan 8.250 nan 0.000 0.428 514 L N 3.225 124.440 121.223 -0.013 0.000 2.329 514 L HA 0.487 4.389 4.340 -0.729 0.000 0.279 514 L C -0.302 176.543 176.870 -0.041 0.000 1.014 514 L CA -0.040 54.806 54.840 0.010 0.000 0.814 514 L CB 1.707 43.862 42.059 0.161 0.000 1.257 514 L HN 0.793 nan 8.230 nan 0.000 0.424 515 D N 0.679 120.889 120.400 -0.317 0.000 2.838 515 D HA 0.647 4.850 4.640 -0.729 0.000 0.334 515 D C -1.605 174.358 176.300 -0.562 0.000 1.315 515 D CA -0.143 53.613 54.000 -0.406 0.000 0.917 515 D CB 2.162 42.769 40.800 -0.322 0.000 1.435 515 D HN 0.123 nan 8.370 nan 0.000 0.517 516 V N 0.733 120.436 119.914 -0.351 0.000 3.102 516 V HA 0.720 4.402 4.120 -0.729 0.000 0.312 516 V C -0.261 175.947 176.094 0.189 0.000 1.135 516 V CA -0.741 61.424 62.300 -0.224 0.000 1.022 516 V CB 2.081 33.530 31.823 -0.623 0.000 1.056 516 V HN 0.582 nan 8.190 nan 0.000 0.436 517 I N -0.491 120.225 120.570 0.243 0.000 3.102 517 I HA 0.700 4.432 4.170 -0.729 0.000 0.310 517 I C -1.313 174.898 176.117 0.157 0.000 1.246 517 I CA -0.823 60.588 61.300 0.186 0.000 0.979 517 I CB 2.698 40.770 38.000 0.120 0.000 1.267 517 I HN 0.442 nan 8.210 nan 0.000 0.451 518 N N 3.205 121.947 118.700 0.070 0.000 2.430 518 N HA 0.775 5.077 4.740 -0.729 0.000 0.292 518 N C -1.503 174.035 175.510 0.047 0.000 1.051 518 N CA -0.309 52.780 53.050 0.065 0.000 0.917 518 N CB 1.807 40.296 38.487 0.004 0.000 1.164 518 N HN 0.523 nan 8.380 nan 0.000 0.484 519 L N 2.351 123.649 121.223 0.126 0.000 2.476 519 L HA 0.311 4.214 4.340 -0.729 0.000 0.269 519 L C -0.569 176.217 176.870 -0.140 0.000 0.965 519 L CA -0.749 53.997 54.840 -0.155 0.000 0.845 519 L CB 1.443 43.432 42.059 -0.118 0.000 1.259 519 L HN 0.827 nan 8.230 nan 0.000 0.403 520 H N 1.096 120.235 119.070 0.115 0.000 2.820 520 H HA -0.193 3.925 4.556 -0.729 0.000 0.295 520 H C 1.232 176.593 175.328 0.056 0.000 1.187 520 H CA 0.851 56.941 56.048 0.070 0.000 1.144 520 H CB -1.594 28.208 29.762 0.067 0.000 1.354 520 H HN 1.101 nan 8.280 nan 0.000 0.395 521 G N -1.283 107.566 108.800 0.082 0.000 2.189 521 G HA2 -0.333 3.189 3.960 -0.729 0.000 0.267 521 G HA3 -0.333 3.189 3.960 -0.729 0.000 0.267 521 G C 0.302 175.210 174.900 0.013 0.000 0.975 521 G CA 0.629 45.754 45.100 0.041 0.000 0.644 521 G HN 0.734 nan 8.290 nan 0.000 0.537 522 T N 1.036 115.602 114.554 0.021 0.000 2.823 522 T HA 0.554 4.467 4.350 -0.729 0.000 0.279 522 T C 0.190 174.688 174.700 -0.336 0.000 0.998 522 T CA -0.348 61.642 62.100 -0.185 0.000 0.994 522 T CB 1.591 70.290 68.868 -0.283 0.000 0.960 522 T HN 0.593 nan 8.240 nan 0.000 0.448 523 K N 2.558 122.739 120.400 -0.364 0.000 2.258 523 K HA 0.574 4.457 4.320 -0.729 0.000 0.284 523 K C -1.279 175.067 176.600 -0.422 0.000 1.051 523 K CA -0.443 55.684 56.287 -0.266 0.000 0.923 523 K CB 0.530 32.922 32.500 -0.179 0.000 1.046 523 K HN 0.361 nan 8.250 nan 0.000 0.474 524 F N 1.371 121.384 119.950 0.104 0.000 2.561 524 F HA 0.440 4.530 4.527 -0.728 0.000 0.321 524 F C -0.448 175.436 175.800 0.140 0.000 1.065 524 F CA -0.904 57.184 58.000 0.146 0.000 0.934 524 F CB 1.153 40.223 39.000 0.115 0.000 1.215 524 F HN 0.500 nan 8.300 nan 0.000 0.471 525 W N 1.573 123.055 121.300 0.303 0.000 2.359 525 W HA 0.544 4.766 4.660 -0.730 0.000 0.344 525 W C -0.799 175.968 176.519 0.413 0.000 1.170 525 W CA -0.450 57.059 57.345 0.275 0.000 1.296 525 W CB 0.761 30.311 29.460 0.151 0.000 1.197 525 W HN 0.414 nan 8.180 nan 0.000 0.618 526 Y N -0.573 120.085 120.300 0.596 0.000 2.638 526 Y HA 0.606 4.719 4.550 -0.730 0.000 0.335 526 Y C -1.133 174.996 175.900 0.383 0.000 1.155 526 Y CA -1.822 56.618 58.100 0.568 0.000 1.046 526 Y CB 0.968 39.939 38.460 0.852 0.000 1.303 526 Y HN 0.588 nan 8.280 nan 0.000 0.460 527 Q N 2.436 122.490 119.800 0.422 0.000 2.456 527 Q HA 0.815 4.717 4.340 -0.729 0.000 0.283 527 Q C -1.780 174.331 176.000 0.184 0.000 1.084 527 Q CA -1.264 54.649 55.803 0.183 0.000 0.801 527 Q CB 3.502 32.317 28.738 0.128 0.000 1.434 527 Q HN 0.841 nan 8.270 nan 0.000 0.419 528 M N 2.073 121.702 119.600 0.049 0.000 2.271 528 M HA 0.421 4.464 4.480 -0.729 0.000 0.285 528 M C -1.392 174.827 176.300 -0.135 0.000 1.059 528 M CA -0.824 54.443 55.300 -0.054 0.000 0.940 528 M CB 2.309 34.851 32.600 -0.096 0.000 1.636 528 M HN 0.596 nan 8.290 nan 0.000 0.460 529 I N 5.032 125.511 120.570 -0.152 0.000 2.301 529 I HA 0.372 4.104 4.170 -0.729 0.000 0.292 529 I C -0.383 175.558 176.117 -0.293 0.000 1.046 529 I CA -0.269 60.916 61.300 -0.191 0.000 1.282 529 I CB 0.319 38.223 38.000 -0.159 0.000 1.409 529 I HN 0.647 nan 8.210 nan 0.000 0.484 530 L N 8.306 129.303 121.223 -0.376 0.000 2.307 530 L HA 0.445 4.347 4.340 -0.729 0.000 0.282 530 L C -2.183 174.453 176.870 -0.390 0.000 1.051 530 L CA -1.807 52.694 54.840 -0.566 0.000 0.804 530 L CB 1.192 42.719 42.059 -0.887 0.000 1.197 530 L HN 0.257 nan 8.230 nan 0.000 0.431 531 P HA 0.093 nan 4.420 nan 0.000 0.269 531 P C -2.474 174.784 177.300 -0.071 0.000 1.215 531 P CA -0.857 62.112 63.100 -0.218 0.000 0.780 531 P CB -0.067 31.453 31.700 -0.300 0.000 0.898 532 P HA 0.001 nan 4.420 nan 0.000 0.267 532 P C -0.648 176.790 177.300 0.230 0.000 1.200 532 P CA 0.523 63.677 63.100 0.089 0.000 0.772 532 P CB -0.229 31.586 31.700 0.192 0.000 0.855 533 H N -1.354 117.751 119.070 0.059 0.000 2.692 533 H HA -0.213 3.905 4.556 -0.729 0.000 0.316 533 H C -0.190 175.210 175.328 0.119 0.000 1.176 533 H CA -0.003 56.088 56.048 0.073 0.000 1.142 533 H CB -2.508 27.288 29.762 0.057 0.000 1.475 533 H HN 0.286 nan 8.280 nan 0.000 0.423 534 F N 2.075 122.026 119.950 0.001 0.000 2.571 534 F HA 0.142 4.232 4.527 -0.729 0.000 0.390 534 F C 0.576 176.404 175.800 0.045 0.000 1.043 534 F CA -0.614 57.368 58.000 -0.029 0.000 1.164 534 F CB 0.353 39.250 39.000 -0.171 0.000 1.049 534 F HN 0.336 nan 8.300 nan 0.000 0.552 535 D N 6.489 126.663 120.400 -0.375 0.000 2.473 535 D HA 0.115 4.317 4.640 -0.729 0.000 0.226 535 D C 0.769 176.688 176.300 -0.634 0.000 1.089 535 D CA -0.594 53.185 54.000 -0.369 0.000 0.883 535 D CB 0.669 41.393 40.800 -0.127 0.000 1.029 535 D HN 0.455 nan 8.370 nan 0.000 0.517 536 K N 2.040 121.999 120.400 -0.735 0.000 2.589 536 K HA -0.141 3.741 4.320 -0.729 0.000 0.195 536 K C 0.959 177.495 176.600 -0.106 0.000 1.042 536 K CA 0.486 56.504 56.287 -0.449 0.000 0.940 536 K CB -0.460 31.958 32.500 -0.137 0.000 0.776 536 K HN 0.267 nan 8.250 nan 0.000 0.487 537 S N 0.397 116.009 115.700 -0.146 0.000 2.324 537 S HA -0.032 4.000 4.470 -0.729 0.000 0.210 537 S C 0.843 175.393 174.600 -0.083 0.000 1.027 537 S CA -0.016 58.137 58.200 -0.078 0.000 0.945 537 S CB -0.088 63.060 63.200 -0.086 0.000 0.908 537 S HN 0.485 nan 8.310 nan 0.000 0.496 538 K N 1.350 121.654 120.400 -0.160 0.000 2.339 538 K HA -0.024 3.858 4.320 -0.729 0.000 0.260 538 K C -0.875 175.595 176.600 -0.217 0.000 0.989 538 K CA 0.552 56.688 56.287 -0.251 0.000 0.888 538 K CB 0.202 32.434 32.500 -0.447 0.000 0.983 538 K HN 0.229 nan 8.250 nan 0.000 0.515 539 K N 2.756 123.006 120.400 -0.250 0.000 2.367 539 K HA 0.200 4.082 4.320 -0.729 0.000 0.263 539 K C -1.409 175.097 176.600 -0.157 0.000 1.000 539 K CA -0.497 55.727 56.287 -0.105 0.000 0.891 539 K CB 0.939 33.397 32.500 -0.071 0.000 1.117 539 K HN 0.357 nan 8.250 nan 0.000 0.443 540 Y N 2.802 123.138 120.300 0.059 0.000 2.387 540 Y HA 0.281 4.393 4.550 -0.729 0.000 0.330 540 Y C -1.909 173.922 175.900 -0.114 0.000 1.133 540 Y CA -2.673 55.421 58.100 -0.011 0.000 1.152 540 Y CB 0.631 39.124 38.460 0.055 0.000 1.215 540 Y HN 0.461 nan 8.280 nan 0.000 0.466 541 P HA 0.063 nan 4.420 nan 0.000 0.271 541 P C -0.865 176.237 177.300 -0.330 0.000 1.218 541 P CA 0.014 62.799 63.100 -0.524 0.000 0.780 541 P CB 1.315 32.210 31.700 -1.343 0.000 0.901 542 L N 3.411 124.511 121.223 -0.205 0.000 2.322 542 L HA 0.421 4.324 4.340 -0.729 0.000 0.281 542 L C -0.540 176.467 176.870 0.228 0.000 1.014 542 L CA -1.185 53.671 54.840 0.026 0.000 0.815 542 L CB 1.567 43.664 42.059 0.065 0.000 1.247 542 L HN 0.243 nan 8.230 nan 0.000 0.421 543 L N 6.119 127.488 121.223 0.244 0.000 2.313 543 L HA 0.507 4.409 4.340 -0.729 0.000 0.283 543 L C -0.779 176.286 176.870 0.325 0.000 1.013 543 L CA -0.180 54.875 54.840 0.358 0.000 0.816 543 L CB 1.374 43.599 42.059 0.278 0.000 1.236 543 L HN 0.331 nan 8.230 nan 0.000 0.419 544 I N 4.417 125.234 120.570 0.412 0.000 2.312 544 I HA 0.300 4.032 4.170 -0.729 0.000 0.290 544 I C 0.151 176.501 176.117 0.388 0.000 1.008 544 I CA -0.180 61.349 61.300 0.382 0.000 1.226 544 I CB 1.201 39.469 38.000 0.446 0.000 1.371 544 I HN 0.716 nan 8.210 nan 0.000 0.468 545 E N 6.394 126.797 120.200 0.338 0.000 2.081 545 E HA 0.421 4.333 4.350 -0.729 0.000 0.281 545 E C -1.331 175.357 176.600 0.146 0.000 0.986 545 E CA -0.307 56.232 56.400 0.232 0.000 0.796 545 E CB 1.600 31.503 29.700 0.338 0.000 1.085 545 E HN 0.444 nan 8.360 nan 0.000 0.398 546 V N 5.277 125.222 119.914 0.052 0.000 2.919 546 V HA 0.426 4.109 4.120 -0.729 0.000 0.316 546 V C -1.165 175.039 176.094 0.183 0.000 1.077 546 V CA -0.236 62.150 62.300 0.142 0.000 0.977 546 V CB 1.660 33.570 31.823 0.145 0.000 1.039 546 V HN 0.902 nan 8.190 nan 0.000 0.441 547 Y N 3.856 124.234 120.300 0.129 0.000 3.326 547 Y HA 0.544 4.655 4.550 -0.731 0.000 0.172 547 Y C 1.383 177.446 175.900 0.272 0.000 0.896 547 Y CA 1.319 59.528 58.100 0.182 0.000 1.808 547 Y CB -0.167 38.375 38.460 0.138 0.000 1.427 547 Y HN 1.278 nan 8.280 nan 0.000 0.334 548 A N 1.059 123.933 122.820 0.091 0.000 2.816 548 A HA -0.118 3.764 4.320 -0.729 0.000 0.270 548 A C 0.838 178.242 177.584 -0.299 0.000 1.413 548 A CA 1.141 53.183 52.037 0.008 0.000 0.866 548 A CB -2.342 16.745 19.000 0.145 0.000 1.032 548 A HN 1.068 nan 8.150 nan 0.000 0.642 549 G N -0.476 107.773 108.800 -0.918 0.000 2.537 549 G HA2 0.562 4.085 3.960 -0.729 0.000 0.273 549 G HA3 0.562 4.085 3.960 -0.729 0.000 0.273 549 G C -1.933 172.530 174.900 -0.728 0.000 1.189 549 G CA -0.992 43.123 45.100 -1.641 0.000 0.881 549 G HN 0.372 nan 8.290 nan 0.000 0.535 550 P HA -0.045 nan 4.420 nan 0.000 0.258 550 P C 0.628 177.707 177.300 -0.368 0.000 1.172 550 P CA 0.423 63.174 63.100 -0.582 0.000 0.762 550 P CB 0.487 31.424 31.700 -1.271 0.000 0.764 551 C N 2.607 121.789 119.300 -0.196 0.000 4.507 551 C HA -0.136 3.887 4.460 -0.729 0.000 0.285 551 C C 0.959 175.933 174.990 -0.027 0.000 1.335 551 C CA 1.047 59.926 59.018 -0.233 0.000 1.953 551 C CB -2.566 24.856 27.740 -0.530 0.000 1.262 551 C HN 0.807 nan 8.230 nan 0.000 0.776 552 S N -0.128 115.652 115.700 0.133 0.000 2.713 552 S HA 0.679 4.712 4.470 -0.729 0.000 0.283 552 S C -0.637 174.162 174.600 0.333 0.000 1.161 552 S CA -0.077 58.341 58.200 0.363 0.000 0.999 552 S CB 1.776 65.315 63.200 0.565 0.000 1.039 552 S HN 0.795 nan 8.310 nan 0.000 0.548 553 Q N -0.096 119.920 119.800 0.359 0.000 2.483 553 Q HA 0.323 4.225 4.340 -0.729 0.000 0.245 553 Q C -0.466 175.662 176.000 0.213 0.000 0.902 553 Q CA -0.584 55.398 55.803 0.299 0.000 0.767 553 Q CB 0.879 29.831 28.738 0.355 0.000 1.341 553 Q HN 0.619 nan 8.270 nan 0.000 0.453 554 K N 1.254 121.780 120.400 0.209 0.000 2.361 554 K HA 0.157 4.040 4.320 -0.729 0.000 0.196 554 K C 0.084 176.773 176.600 0.149 0.000 1.039 554 K CA 0.406 56.797 56.287 0.174 0.000 1.001 554 K CB 0.788 33.419 32.500 0.219 0.000 0.795 554 K HN 0.367 nan 8.250 nan 0.000 0.495 555 V N 3.994 124.006 119.914 0.164 0.000 2.318 555 V HA 0.124 3.806 4.120 -0.729 0.000 0.271 555 V C -0.427 175.715 176.094 0.080 0.000 1.030 555 V CA -0.708 61.682 62.300 0.151 0.000 0.844 555 V CB 0.737 32.702 31.823 0.237 0.000 1.015 555 V HN 0.291 nan 8.190 nan 0.000 0.460 556 D N 2.353 122.776 120.400 0.038 0.000 2.812 556 D HA 0.375 4.578 4.640 -0.729 0.000 0.318 556 D C 0.410 176.702 176.300 -0.014 0.000 1.234 556 D CA -0.055 53.951 54.000 0.011 0.000 0.989 556 D CB 1.498 42.293 40.800 -0.008 0.000 1.442 556 D HN 0.321 nan 8.370 nan 0.000 0.537 557 T N -2.125 112.433 114.554 0.007 0.000 3.243 557 T HA 0.391 4.303 4.350 -0.729 0.000 0.264 557 T C 0.092 174.762 174.700 -0.049 0.000 1.000 557 T CA -0.460 61.649 62.100 0.015 0.000 0.901 557 T CB -0.767 68.154 68.868 0.088 0.000 1.083 557 T HN 0.267 nan 8.240 nan 0.000 0.559 558 V N 2.467 122.250 119.914 -0.219 0.000 2.583 558 V HA 0.377 4.059 4.120 -0.729 0.000 0.287 558 V C 0.098 176.179 176.094 -0.021 0.000 1.051 558 V CA -0.999 61.169 62.300 -0.222 0.000 1.010 558 V CB 0.366 31.925 31.823 -0.440 0.000 0.988 558 V HN 0.621 nan 8.190 nan 0.000 0.478 559 F N 6.258 126.173 119.950 -0.057 0.000 2.438 559 F HA 0.557 4.647 4.527 -0.728 0.000 0.356 559 F C 0.474 176.267 175.800 -0.012 0.000 1.099 559 F CA -0.185 57.796 58.000 -0.031 0.000 1.185 559 F CB 0.248 39.245 39.000 -0.006 0.000 1.115 559 F HN 0.412 nan 8.300 nan 0.000 0.526 560 R N 6.439 126.499 120.500 -0.735 0.000 2.533 560 R HA 0.370 4.273 4.340 -0.729 0.000 0.288 560 R C -1.875 174.038 176.300 -0.645 0.000 1.039 560 R CA -1.188 54.597 56.100 -0.526 0.000 0.909 560 R CB 1.763 31.924 30.300 -0.231 0.000 1.195 560 R HN 0.470 nan 8.270 nan 0.000 0.438 561 L N 3.224 124.192 121.223 -0.425 0.000 2.302 561 L HA 0.257 4.160 4.340 -0.729 0.000 0.285 561 L C 0.302 177.149 176.870 -0.037 0.000 1.090 561 L CA 0.311 54.979 54.840 -0.287 0.000 0.866 561 L CB 0.393 42.458 42.059 0.010 0.000 1.244 561 L HN 0.743 nan 8.230 nan 0.000 0.435 562 S N 1.643 117.230 115.700 -0.187 0.000 2.806 562 S HA 0.309 4.341 4.470 -0.729 0.000 0.315 562 S C 0.576 174.842 174.600 -0.556 0.000 1.127 562 S CA -0.686 57.358 58.200 -0.259 0.000 0.918 562 S CB 0.586 63.728 63.200 -0.096 0.000 1.240 562 S HN 0.524 nan 8.310 nan 0.000 0.552 563 W N 1.130 121.867 121.300 -0.938 0.000 2.402 563 W HA 0.136 4.362 4.660 -0.723 0.000 0.286 563 W C 2.303 178.719 176.519 -0.172 0.000 1.221 563 W CA 1.646 58.565 57.345 -0.711 0.000 1.257 563 W CB -0.971 28.180 29.460 -0.515 0.000 1.120 563 W HN 0.816 nan 8.180 nan 0.000 0.551 564 A N -0.396 122.333 122.820 -0.150 0.000 1.972 564 A HA -0.173 3.709 4.320 -0.729 0.000 0.219 564 A C 1.936 179.377 177.584 -0.237 0.000 1.169 564 A CA 2.287 54.184 52.037 -0.233 0.000 0.635 564 A CB -1.242 17.719 19.000 -0.065 0.000 0.810 564 A HN 0.274 nan 8.150 nan 0.000 0.446 565 T N -1.169 113.264 114.554 -0.202 0.000 2.720 565 T HA -0.208 3.704 4.350 -0.729 0.000 0.268 565 T C 1.802 176.480 174.700 -0.037 0.000 1.037 565 T CA 1.807 63.769 62.100 -0.231 0.000 1.144 565 T CB -0.444 68.124 68.868 -0.500 0.000 0.864 565 T HN 0.707 nan 8.240 nan 0.000 0.444 566 Y N 1.893 122.205 120.300 0.021 0.000 2.220 566 Y HA 0.069 4.181 4.550 -0.730 0.000 0.291 566 Y C 1.904 177.755 175.900 -0.080 0.000 1.129 566 Y CA 0.768 58.930 58.100 0.102 0.000 1.161 566 Y CB -0.717 37.810 38.460 0.111 0.000 0.997 566 Y HN 0.118 nan 8.280 nan 0.000 0.522 567 L N 0.213 120.956 121.223 -0.799 0.000 2.083 567 L HA -0.187 3.716 4.340 -0.729 0.000 0.209 567 L C 2.767 179.357 176.870 -0.467 0.000 1.083 567 L CA 1.278 55.608 54.840 -0.850 0.000 0.752 567 L CB -0.931 40.666 42.059 -0.771 0.000 0.899 567 L HN 0.405 nan 8.230 nan 0.000 0.433 568 A N -1.139 121.483 122.820 -0.330 0.000 1.878 568 A HA -0.153 3.729 4.320 -0.729 0.000 0.213 568 A C 2.512 179.997 177.584 -0.164 0.000 1.192 568 A CA 1.526 53.419 52.037 -0.240 0.000 0.619 568 A CB -0.595 18.266 19.000 -0.232 0.000 0.837 568 A HN 0.304 nan 8.150 nan 0.000 0.446 569 S N -1.006 114.628 115.700 -0.110 0.000 2.356 569 S HA -0.131 3.902 4.470 -0.729 0.000 0.223 569 S C 1.989 176.602 174.600 0.021 0.000 1.032 569 S CA 2.406 60.602 58.200 -0.007 0.000 1.005 569 S CB -0.403 62.852 63.200 0.091 0.000 0.867 569 S HN 0.571 nan 8.310 nan 0.000 0.449 570 T N 1.123 115.672 114.554 -0.008 0.000 3.021 570 T HA 0.182 4.095 4.350 -0.729 0.000 0.245 570 T C 1.366 176.044 174.700 -0.037 0.000 1.028 570 T CA 0.519 62.638 62.100 0.031 0.000 1.139 570 T CB -0.115 68.864 68.868 0.185 0.000 0.884 570 T HN 0.301 nan 8.240 nan 0.000 0.457 571 E N 1.332 121.418 120.200 -0.189 0.000 2.479 571 E HA 0.154 4.066 4.350 -0.729 0.000 0.193 571 E C -0.052 176.519 176.600 -0.048 0.000 1.049 571 E CA -0.084 56.241 56.400 -0.126 0.000 0.870 571 E CB -0.371 29.186 29.700 -0.239 0.000 0.944 571 E HN 0.419 nan 8.360 nan 0.000 0.492 572 N N 0.604 119.275 118.700 -0.049 0.000 2.725 572 N HA -0.193 4.109 4.740 -0.729 0.000 0.251 572 N C -0.945 174.565 175.510 0.000 0.000 1.031 572 N CA 0.450 53.510 53.050 0.017 0.000 0.720 572 N CB -1.136 37.483 38.487 0.221 0.000 0.930 572 N HN 0.245 nan 8.380 nan 0.000 0.543 573 I N 0.398 120.897 120.570 -0.118 0.000 2.460 573 I HA 0.395 4.128 4.170 -0.729 0.000 0.298 573 I C 0.523 176.530 176.117 -0.183 0.000 0.989 573 I CA -0.917 60.316 61.300 -0.110 0.000 1.173 573 I CB 1.480 39.444 38.000 -0.060 0.000 1.338 573 I HN -0.005 nan 8.210 nan 0.000 0.456 574 I N 5.804 126.284 120.570 -0.150 0.000 2.342 574 I HA 0.248 3.981 4.170 -0.729 0.000 0.291 574 I C -0.574 175.490 176.117 -0.088 0.000 1.010 574 I CA -0.578 60.615 61.300 -0.178 0.000 1.308 574 I CB 1.391 39.310 38.000 -0.134 0.000 1.400 574 I HN 0.163 nan 8.210 nan 0.000 0.488 575 V N 6.460 126.314 119.914 -0.101 0.000 2.357 575 V HA 0.664 4.346 4.120 -0.729 0.000 0.284 575 V C 0.248 176.343 176.094 0.001 0.000 1.018 575 V CA -0.415 61.879 62.300 -0.010 0.000 0.841 575 V CB 1.205 33.018 31.823 -0.017 0.000 0.991 575 V HN 0.843 nan 8.190 nan 0.000 0.437 576 A N 3.944 126.790 122.820 0.044 0.000 2.354 576 A HA 0.973 4.856 4.320 -0.729 0.000 0.321 576 A C -0.244 177.449 177.584 0.180 0.000 1.125 576 A CA -0.548 51.508 52.037 0.031 0.000 0.799 576 A CB 1.912 20.779 19.000 -0.222 0.000 1.293 576 A HN 0.678 nan 8.150 nan 0.000 0.452 577 S N -0.539 115.317 115.700 0.260 0.000 2.569 577 S HA 0.762 4.794 4.470 -0.729 0.000 0.280 577 S C -1.579 173.353 174.600 0.554 0.000 1.111 577 S CA -0.294 58.121 58.200 0.359 0.000 0.887 577 S CB 1.391 64.755 63.200 0.274 0.000 1.095 577 S HN 0.849 nan 8.310 nan 0.000 0.476 578 F N 1.772 121.940 119.950 0.365 0.000 2.574 578 F HA 0.479 4.568 4.527 -0.730 0.000 0.313 578 F C -1.667 174.316 175.800 0.305 0.000 1.130 578 F CA -0.687 57.555 58.000 0.403 0.000 0.936 578 F CB 1.472 40.710 39.000 0.396 0.000 1.219 578 F HN 0.393 nan 8.300 nan 0.000 0.445 579 D N 4.463 124.610 120.400 -0.422 0.000 2.427 579 D HA 0.438 4.640 4.640 -0.729 0.000 0.226 579 D C 0.239 176.073 176.300 -0.777 0.000 1.076 579 D CA 0.125 53.931 54.000 -0.325 0.000 0.849 579 D CB 1.708 42.519 40.800 0.019 0.000 1.052 579 D HN 0.792 nan 8.370 nan 0.000 0.515 580 G N 1.532 109.955 108.800 -0.629 0.000 3.099 580 G HA2 0.299 3.822 3.960 -0.729 0.000 0.151 580 G HA3 0.299 3.822 3.960 -0.729 0.000 0.151 580 G C -0.013 174.697 174.900 -0.317 0.000 1.265 580 G CA -0.670 43.976 45.100 -0.758 0.000 0.981 580 G HN 0.288 nan 8.290 nan 0.000 0.601 581 R N -0.285 120.076 120.500 -0.231 0.000 2.522 581 R HA 0.394 4.296 4.340 -0.729 0.000 0.284 581 R C 1.119 177.473 176.300 0.091 0.000 1.032 581 R CA 1.406 57.537 56.100 0.052 0.000 1.049 581 R CB 0.615 30.967 30.300 0.085 0.000 0.956 581 R HN 1.025 nan 8.270 nan 0.000 0.422 582 G N 1.309 110.173 108.800 0.108 0.000 2.284 582 G HA2 -0.326 3.196 3.960 -0.729 0.000 0.216 582 G HA3 -0.326 3.196 3.960 -0.729 0.000 0.216 582 G C 0.197 175.110 174.900 0.022 0.000 1.009 582 G CA 0.056 45.200 45.100 0.072 0.000 0.625 582 G HN 0.719 nan 8.290 nan 0.000 0.501 583 S N 0.545 116.267 115.700 0.036 0.000 2.587 583 S HA 0.601 4.633 4.470 -0.729 0.000 0.260 583 S C 0.849 175.452 174.600 0.006 0.000 1.353 583 S CA 0.687 58.913 58.200 0.043 0.000 0.995 583 S CB 1.571 64.823 63.200 0.086 0.000 0.912 583 S HN 1.767 nan 8.310 nan 0.000 0.568 584 G N -1.177 107.599 108.800 -0.039 0.000 2.820 584 G HA2 0.525 4.047 3.960 -0.729 0.000 0.291 584 G HA3 0.525 4.047 3.960 -0.729 0.000 0.291 584 G C -1.062 173.748 174.900 -0.149 0.000 1.323 584 G CA -1.042 43.898 45.100 -0.268 0.000 1.055 584 G HN 0.938 nan 8.290 nan 0.000 0.520 585 Y N -2.270 118.042 120.300 0.021 0.000 4.729 585 Y HA -0.207 3.905 4.550 -0.730 0.000 0.239 585 Y C 1.349 177.274 175.900 0.041 0.000 1.043 585 Y CA 1.026 59.147 58.100 0.035 0.000 2.045 585 Y CB -2.125 36.377 38.460 0.068 0.000 1.599 585 Y HN 0.535 nan 8.280 nan 0.000 0.655 586 Q N -0.127 119.705 119.800 0.053 0.000 2.086 586 Q HA 0.511 4.413 4.340 -0.729 0.000 0.220 586 Q C 0.817 176.677 176.000 -0.232 0.000 0.792 586 Q CA 0.216 56.051 55.803 0.053 0.000 1.062 586 Q CB 1.727 30.532 28.738 0.112 0.000 1.198 586 Q HN 0.578 nan 8.270 nan 0.000 0.466 587 G N 0.737 109.275 108.800 -0.437 0.000 2.650 587 G HA2 -0.172 3.350 3.960 -0.729 0.000 0.686 587 G HA3 -0.172 3.350 3.960 -0.729 0.000 0.686 587 G C -0.556 173.998 174.900 -0.577 0.000 1.205 587 G CA -0.668 43.939 45.100 -0.821 0.000 0.781 587 G HN 0.110 nan 8.290 nan 0.000 0.648 588 D N 0.034 120.053 120.400 -0.636 0.000 2.218 588 D HA -0.073 4.130 4.640 -0.729 0.000 0.204 588 D C 2.260 178.213 176.300 -0.578 0.000 0.976 588 D CA 1.385 54.906 54.000 -0.798 0.000 0.853 588 D CB 0.087 40.397 40.800 -0.816 0.000 0.939 588 D HN 0.605 nan 8.370 nan 0.000 0.481 589 K N 0.734 120.900 120.400 -0.390 0.000 2.001 589 K HA -0.172 3.710 4.320 -0.729 0.000 0.214 589 K C 2.004 178.529 176.600 -0.125 0.000 1.050 589 K CA 1.234 57.393 56.287 -0.212 0.000 0.934 589 K CB -0.314 32.078 32.500 -0.179 0.000 0.718 589 K HN 0.149 nan 8.250 nan 0.000 0.443 590 I N 0.657 121.159 120.570 -0.113 0.000 2.353 590 I HA -0.232 3.501 4.170 -0.729 0.000 0.248 590 I C 2.727 178.856 176.117 0.019 0.000 1.119 590 I CA 0.874 62.189 61.300 0.025 0.000 1.417 590 I CB -0.108 37.952 38.000 0.100 0.000 1.078 590 I HN 0.378 nan 8.210 nan 0.000 0.421 591 M N 0.163 119.701 119.600 -0.103 0.000 2.099 591 M HA -0.206 3.837 4.480 -0.729 0.000 0.262 591 M C 1.923 178.288 176.300 0.108 0.000 1.067 591 M CA 1.941 57.212 55.300 -0.049 0.000 1.124 591 M CB -0.287 32.194 32.600 -0.199 0.000 1.353 591 M HN 0.244 nan 8.290 nan 0.000 0.410 592 H N -0.452 118.526 119.070 -0.154 0.000 2.553 592 H HA 0.148 4.267 4.556 -0.729 0.000 0.269 592 H C 1.847 177.194 175.328 0.030 0.000 1.011 592 H CA 0.051 56.001 56.048 -0.162 0.000 1.150 592 H CB 0.095 29.650 29.762 -0.345 0.000 1.339 592 H HN 0.534 nan 8.280 nan 0.000 0.604 593 A N 1.634 124.568 122.820 0.190 0.000 1.940 593 A HA -0.150 3.732 4.320 -0.729 0.000 0.219 593 A C 2.094 179.880 177.584 0.337 0.000 1.176 593 A CA 1.238 53.420 52.037 0.240 0.000 0.631 593 A CB -0.616 18.510 19.000 0.209 0.000 0.814 593 A HN 0.588 nan 8.150 nan 0.000 0.446 594 I N -2.820 117.904 120.570 0.257 0.000 3.806 594 I HA 0.141 3.873 4.170 -0.729 0.000 0.321 594 I C 0.385 176.551 176.117 0.081 0.000 1.315 594 I CA -0.416 60.961 61.300 0.129 0.000 1.148 594 I CB -0.727 37.319 38.000 0.075 0.000 1.028 594 I HN 0.239 nan 8.210 nan 0.000 0.415 595 N N 2.915 121.721 118.700 0.177 0.000 2.412 595 N HA -0.071 4.231 4.740 -0.729 0.000 0.258 595 N C 0.211 175.710 175.510 -0.018 0.000 1.236 595 N CA 0.259 53.415 53.050 0.178 0.000 0.882 595 N CB 0.357 38.931 38.487 0.146 0.000 1.066 595 N HN 0.398 nan 8.380 nan 0.000 0.465 596 R N 0.299 120.757 120.500 -0.069 0.000 4.000 596 R HA -0.207 3.695 4.340 -0.729 0.000 0.348 596 R C -0.212 175.928 176.300 -0.267 0.000 1.204 596 R CA 1.583 57.573 56.100 -0.184 0.000 0.987 596 R CB -1.458 28.724 30.300 -0.197 0.000 1.446 596 R HN 0.781 nan 8.270 nan 0.000 0.555 597 R N -0.224 120.159 120.500 -0.195 0.000 2.583 597 R HA 0.259 4.161 4.340 -0.729 0.000 0.282 597 R C -0.479 175.767 176.300 -0.090 0.000 1.288 597 R CA -0.668 55.359 56.100 -0.121 0.000 1.415 597 R CB 0.173 30.347 30.300 -0.209 0.000 1.331 597 R HN -0.035 nan 8.270 nan 0.000 0.719 598 L N 0.882 122.036 121.223 -0.115 0.000 2.483 598 L HA 0.244 4.146 4.340 -0.729 0.000 0.276 598 L C 1.266 178.271 176.870 0.225 0.000 1.213 598 L CA 1.485 56.321 54.840 -0.006 0.000 0.843 598 L CB 0.568 42.470 42.059 -0.262 0.000 1.107 598 L HN 0.830 nan 8.230 nan 0.000 0.487 599 G N 0.669 109.680 108.800 0.350 0.000 2.175 599 G HA2 -0.311 3.211 3.960 -0.729 0.000 0.244 599 G HA3 -0.311 3.211 3.960 -0.729 0.000 0.244 599 G C 0.577 175.520 174.900 0.072 0.000 0.982 599 G CA 0.616 45.882 45.100 0.276 0.000 0.641 599 G HN 0.787 nan 8.290 nan 0.000 0.527 600 T N -2.590 111.970 114.554 0.011 0.000 3.610 600 T HA 0.441 4.353 4.350 -0.729 0.000 0.209 600 T C 1.798 176.520 174.700 0.036 0.000 0.889 600 T CA 1.193 63.244 62.100 -0.081 0.000 1.469 600 T CB -0.241 68.425 68.868 -0.337 0.000 1.557 600 T HN 0.139 nan 8.240 nan 0.000 0.431 601 F N 3.483 123.475 119.950 0.070 0.000 2.171 601 F HA 0.079 4.169 4.527 -0.728 0.000 0.300 601 F C 2.805 178.641 175.800 0.060 0.000 1.090 601 F CA 1.039 59.066 58.000 0.046 0.000 1.293 601 F CB -0.892 38.116 39.000 0.013 0.000 1.013 601 F HN 0.497 nan 8.300 nan 0.000 0.486 602 E N 0.777 121.125 120.200 0.247 0.000 2.204 602 E HA -0.113 3.799 4.350 -0.729 0.000 0.194 602 E C 2.104 178.807 176.600 0.172 0.000 0.989 602 E CA 1.334 57.848 56.400 0.190 0.000 0.824 602 E CB -1.032 28.773 29.700 0.175 0.000 0.756 602 E HN 0.293 nan 8.360 nan 0.000 0.477 603 V N 1.746 121.741 119.914 0.134 0.000 2.323 603 V HA -0.197 3.485 4.120 -0.729 0.000 0.244 603 V C 2.348 178.497 176.094 0.090 0.000 1.041 603 V CA 2.061 64.400 62.300 0.065 0.000 1.025 603 V CB -0.548 31.264 31.823 -0.020 0.000 0.656 603 V HN 0.214 nan 8.190 nan 0.000 0.451 604 E N 0.123 120.399 120.200 0.127 0.000 2.085 604 E HA -0.248 3.665 4.350 -0.729 0.000 0.194 604 E C 1.905 178.584 176.600 0.132 0.000 0.994 604 E CA 1.526 58.008 56.400 0.137 0.000 0.801 604 E CB -0.205 29.614 29.700 0.197 0.000 0.743 604 E HN 0.562 nan 8.360 nan 0.000 0.453 605 D N 0.338 120.839 120.400 0.168 0.000 2.219 605 D HA -0.125 4.077 4.640 -0.729 0.000 0.205 605 D C 1.958 178.314 176.300 0.094 0.000 0.970 605 D CA 0.723 54.815 54.000 0.154 0.000 0.851 605 D CB -0.066 40.872 40.800 0.230 0.000 0.943 605 D HN 0.108 nan 8.370 nan 0.000 0.488 606 Q N 0.062 119.960 119.800 0.164 0.000 2.119 606 Q HA -0.019 3.884 4.340 -0.729 0.000 0.201 606 Q C 2.524 178.596 176.000 0.120 0.000 0.972 606 Q CA 0.491 56.400 55.803 0.176 0.000 0.847 606 Q CB -0.002 28.852 28.738 0.193 0.000 0.903 606 Q HN 0.429 nan 8.270 nan 0.000 0.433 607 I N 0.629 121.274 120.570 0.126 0.000 2.202 607 I HA -0.244 3.489 4.170 -0.729 0.000 0.242 607 I C 2.391 178.492 176.117 -0.028 0.000 1.091 607 I CA 1.165 62.560 61.300 0.158 0.000 1.368 607 I CB -0.214 37.875 38.000 0.148 0.000 1.058 607 I HN 0.133 nan 8.210 nan 0.000 0.410 608 E N 1.630 121.771 120.200 -0.097 0.000 2.106 608 E HA -0.172 3.741 4.350 -0.729 0.000 0.192 608 E C 2.055 178.410 176.600 -0.407 0.000 0.984 608 E CA 1.660 57.938 56.400 -0.203 0.000 0.806 608 E CB -0.165 29.438 29.700 -0.163 0.000 0.750 608 E HN 0.402 nan 8.360 nan 0.000 0.458 609 A N -0.495 121.961 122.820 -0.607 0.000 1.930 609 A HA -0.122 3.760 4.320 -0.729 0.000 0.217 609 A C 2.430 179.355 177.584 -1.098 0.000 1.175 609 A CA 1.931 53.295 52.037 -1.122 0.000 0.627 609 A CB -0.927 16.942 19.000 -1.886 0.000 0.815 609 A HN 0.347 nan 8.150 nan 0.000 0.443 610 T N -0.891 113.383 114.554 -0.466 0.000 2.821 610 T HA -0.108 3.804 4.350 -0.729 0.000 0.267 610 T C 2.045 176.605 174.700 -0.233 0.000 1.046 610 T CA 1.427 63.451 62.100 -0.127 0.000 1.139 610 T CB -0.190 68.710 68.868 0.054 0.000 0.871 610 T HN 0.543 nan 8.240 nan 0.000 0.454 611 R N 0.835 121.163 120.500 -0.286 0.000 2.081 611 R HA -0.074 3.828 4.340 -0.729 0.000 0.235 611 R C 2.484 178.629 176.300 -0.259 0.000 1.131 611 R CA 1.390 57.344 56.100 -0.243 0.000 0.960 611 R CB -0.071 30.106 30.300 -0.204 0.000 0.856 611 R HN 0.471 nan 8.270 nan 0.000 0.436 612 Q N -0.948 118.622 119.800 -0.383 0.000 2.172 612 Q HA -0.119 3.783 4.340 -0.729 0.000 0.200 612 Q C 1.787 177.621 176.000 -0.277 0.000 0.964 612 Q CA 1.078 56.666 55.803 -0.357 0.000 0.855 612 Q CB 0.032 28.494 28.738 -0.459 0.000 0.918 612 Q HN 0.295 nan 8.270 nan 0.000 0.444 613 F N 0.853 120.645 119.950 -0.263 0.000 2.146 613 F HA -0.165 3.924 4.527 -0.730 0.000 0.298 613 F C 2.717 178.366 175.800 -0.252 0.000 1.096 613 F CA 1.348 59.191 58.000 -0.260 0.000 1.275 613 F CB -1.029 37.841 39.000 -0.218 0.000 1.008 613 F HN 0.062 nan 8.300 nan 0.000 0.480 614 S N -0.400 115.280 115.700 -0.033 0.000 2.474 614 S HA -0.140 3.892 4.470 -0.729 0.000 0.235 614 S C 1.709 176.225 174.600 -0.139 0.000 0.997 614 S CA 0.784 58.924 58.200 -0.099 0.000 0.949 614 S CB -0.530 62.598 63.200 -0.119 0.000 0.766 614 S HN 0.410 nan 8.310 nan 0.000 0.517 615 K N 0.262 120.574 120.400 -0.146 0.000 2.365 615 K HA 0.253 4.135 4.320 -0.729 0.000 0.197 615 K C 0.206 176.703 176.600 -0.173 0.000 1.042 615 K CA 0.207 56.410 56.287 -0.141 0.000 0.987 615 K CB -0.114 32.311 32.500 -0.124 0.000 0.779 615 K HN 0.466 nan 8.250 nan 0.000 0.484 616 M N 0.913 120.361 119.600 -0.254 0.000 2.251 616 M HA 0.028 4.071 4.480 -0.729 0.000 0.346 616 M C 1.365 177.374 176.300 -0.486 0.000 1.499 616 M CA -0.041 55.025 55.300 -0.390 0.000 1.128 616 M CB 0.974 33.209 32.600 -0.608 0.000 1.809 616 M HN 0.214 nan 8.290 nan 0.000 0.464 617 G N 3.523 112.167 108.800 -0.261 0.000 2.697 617 G HA2 -0.265 3.257 3.960 -0.729 0.000 0.223 617 G HA3 -0.265 3.257 3.960 -0.729 0.000 0.223 617 G C 0.771 175.629 174.900 -0.071 0.000 1.083 617 G CA 0.981 45.998 45.100 -0.139 0.000 0.722 617 G HN 0.851 nan 8.290 nan 0.000 0.604 618 F N -0.373 119.631 119.950 0.090 0.000 2.692 618 F HA 0.633 4.722 4.527 -0.730 0.000 0.303 618 F C -0.063 175.847 175.800 0.182 0.000 1.114 618 F CA -1.568 56.517 58.000 0.141 0.000 1.361 618 F CB -0.310 38.850 39.000 0.266 0.000 1.063 618 F HN -0.125 nan 8.300 nan 0.000 0.550 619 V N 1.279 121.226 119.914 0.055 0.000 2.555 619 V HA 0.222 3.905 4.120 -0.729 0.000 0.302 619 V C -0.792 175.301 176.094 -0.002 0.000 1.038 619 V CA -0.879 61.468 62.300 0.079 0.000 0.887 619 V CB 1.758 33.566 31.823 -0.024 0.000 0.991 619 V HN 0.056 nan 8.190 nan 0.000 0.434 620 D N 3.612 124.007 120.400 -0.007 0.000 2.393 620 D HA 0.073 4.276 4.640 -0.729 0.000 0.232 620 D C 1.250 177.514 176.300 -0.060 0.000 1.192 620 D CA -0.290 53.680 54.000 -0.049 0.000 0.882 620 D CB 0.916 41.671 40.800 -0.074 0.000 1.038 620 D HN 0.718 nan 8.370 nan 0.000 0.499 621 D N 3.274 123.636 120.400 -0.062 0.000 2.228 621 D HA -0.242 3.961 4.640 -0.729 0.000 0.203 621 D C 1.074 177.341 176.300 -0.055 0.000 0.988 621 D CA 0.746 54.703 54.000 -0.072 0.000 0.864 621 D CB 0.182 40.935 40.800 -0.077 0.000 0.928 621 D HN 0.408 nan 8.370 nan 0.000 0.469 622 K N 0.063 120.440 120.400 -0.038 0.000 2.288 622 K HA 0.018 3.900 4.320 -0.729 0.000 0.201 622 K C 0.733 177.348 176.600 0.025 0.000 1.048 622 K CA 0.461 56.742 56.287 -0.011 0.000 0.956 622 K CB 0.238 32.732 32.500 -0.010 0.000 0.746 622 K HN 0.067 nan 8.250 nan 0.000 0.461 623 R N 0.977 121.480 120.500 0.005 0.000 2.564 623 R HA 0.358 4.260 4.340 -0.729 0.000 0.282 623 R C -0.973 175.378 176.300 0.083 0.000 1.573 623 R CA -0.142 55.998 56.100 0.067 0.000 1.588 623 R CB 0.692 30.928 30.300 -0.106 0.000 1.154 623 R HN -0.010 nan 8.270 nan 0.000 0.606 624 I N 1.130 121.832 120.570 0.220 0.000 2.465 624 I HA 0.595 4.327 4.170 -0.729 0.000 0.291 624 I C -0.142 176.273 176.117 0.495 0.000 1.014 624 I CA -0.815 60.644 61.300 0.266 0.000 1.093 624 I CB 2.051 40.052 38.000 0.003 0.000 1.267 624 I HN 0.371 nan 8.210 nan 0.000 0.431 625 A N 6.831 130.025 122.820 0.622 0.000 2.435 625 A HA 0.918 4.801 4.320 -0.729 0.000 0.296 625 A C -1.242 176.679 177.584 0.561 0.000 1.147 625 A CA -0.643 51.731 52.037 0.562 0.000 0.775 625 A CB 2.089 21.300 19.000 0.353 0.000 1.340 625 A HN 0.728 nan 8.150 nan 0.000 0.427 626 I N 0.898 121.707 120.570 0.399 0.000 2.656 626 I HA 0.683 4.415 4.170 -0.729 0.000 0.292 626 I C -1.793 174.554 176.117 0.384 0.000 1.144 626 I CA -0.596 60.880 61.300 0.294 0.000 1.038 626 I CB 1.506 39.421 38.000 -0.142 0.000 1.244 626 I HN 0.918 nan 8.210 nan 0.000 0.420 627 W N 7.139 128.558 121.300 0.197 0.000 3.083 627 W HA 0.890 5.109 4.660 -0.734 0.000 0.333 627 W C -1.315 175.335 176.519 0.219 0.000 1.217 627 W CA -1.190 56.276 57.345 0.201 0.000 1.170 627 W CB 1.136 30.756 29.460 0.266 0.000 1.437 627 W HN 0.781 nan 8.180 nan 0.000 0.557 628 G N 0.551 109.280 108.800 -0.119 0.000 2.623 628 G HA2 0.497 4.019 3.960 -0.729 0.000 0.290 628 G HA3 0.497 4.019 3.960 -0.729 0.000 0.290 628 G C -2.781 172.044 174.900 -0.125 0.000 1.437 628 G CA -0.725 44.183 45.100 -0.320 0.000 0.798 628 G HN 0.578 nan 8.290 nan 0.000 0.488 629 W N 0.892 122.090 121.300 -0.170 0.000 2.736 629 W HA 0.558 4.781 4.660 -0.728 0.000 0.335 629 W C 0.864 177.450 176.519 0.112 0.000 1.059 629 W CA 0.292 57.616 57.345 -0.034 0.000 1.226 629 W CB 1.625 31.043 29.460 -0.070 0.000 1.416 629 W HN 1.003 nan 8.180 nan 0.000 0.505 630 S N 1.996 117.998 115.700 0.504 0.000 4.150 630 S HA -0.435 3.598 4.470 -0.729 0.000 0.575 630 S C 0.921 175.668 174.600 0.244 0.000 1.878 630 S CA 1.905 60.361 58.200 0.428 0.000 4.245 630 S CB -1.557 61.989 63.200 0.576 0.000 0.231 630 S HN 0.742 nan 8.310 nan 0.000 0.469 631 Y N 3.079 123.502 120.300 0.205 0.000 2.293 631 Y HA 0.075 4.189 4.550 -0.728 0.000 0.291 631 Y C 2.401 178.333 175.900 0.054 0.000 1.137 631 Y CA 1.966 60.092 58.100 0.044 0.000 1.202 631 Y CB -0.915 37.403 38.460 -0.236 0.000 0.990 631 Y HN 0.499 nan 8.280 nan 0.000 0.537 632 G N -1.061 107.928 108.800 0.315 0.000 2.443 632 G HA2 -0.175 3.347 3.960 -0.729 0.000 0.219 632 G HA3 -0.175 3.347 3.960 -0.729 0.000 0.219 632 G C 1.853 176.816 174.900 0.105 0.000 1.131 632 G CA 0.677 45.911 45.100 0.224 0.000 0.775 632 G HN 0.558 nan 8.290 nan 0.000 0.547 633 G N -0.257 108.610 108.800 0.112 0.000 2.408 633 G HA2 -0.145 3.377 3.960 -0.729 0.000 0.215 633 G HA3 -0.145 3.377 3.960 -0.729 0.000 0.215 633 G C 1.526 176.459 174.900 0.054 0.000 1.156 633 G CA 0.952 46.091 45.100 0.066 0.000 0.793 633 G HN 0.390 nan 8.290 nan 0.000 0.535 634 Y N 1.564 121.769 120.300 -0.159 0.000 2.089 634 Y HA -0.133 3.978 4.550 -0.731 0.000 0.282 634 Y C 2.754 178.548 175.900 -0.178 0.000 1.139 634 Y CA 1.669 59.612 58.100 -0.261 0.000 1.123 634 Y CB -0.652 37.485 38.460 -0.538 0.000 0.980 634 Y HN 0.012 nan 8.280 nan 0.000 0.493 635 V N 0.037 119.780 119.914 -0.284 0.000 2.282 635 V HA -0.384 3.299 4.120 -0.729 0.000 0.249 635 V C 2.383 178.353 176.094 -0.206 0.000 1.057 635 V CA 2.585 64.718 62.300 -0.279 0.000 1.032 635 V CB -1.346 30.472 31.823 -0.008 0.000 0.645 635 V HN 0.535 nan 8.190 nan 0.000 0.447 636 T N -0.110 114.386 114.554 -0.096 0.000 2.665 636 T HA -0.225 3.687 4.350 -0.729 0.000 0.268 636 T C 2.086 176.725 174.700 -0.102 0.000 1.035 636 T CA 2.120 64.176 62.100 -0.073 0.000 1.151 636 T CB -0.301 68.596 68.868 0.049 0.000 0.862 636 T HN 0.544 nan 8.240 nan 0.000 0.438 637 S N 0.710 116.378 115.700 -0.053 0.000 2.402 637 S HA 0.035 4.067 4.470 -0.729 0.000 0.229 637 S C 2.046 176.561 174.600 -0.142 0.000 1.021 637 S CA 0.770 58.958 58.200 -0.020 0.000 0.974 637 S CB -0.205 63.039 63.200 0.073 0.000 0.800 637 S HN 0.329 nan 8.310 nan 0.000 0.484 638 M N 0.732 120.157 119.600 -0.292 0.000 2.254 638 M HA 0.038 4.081 4.480 -0.729 0.000 0.265 638 M C 2.109 178.254 176.300 -0.258 0.000 1.066 638 M CA 0.863 55.976 55.300 -0.312 0.000 1.123 638 M CB -1.247 31.058 32.600 -0.492 0.000 1.388 638 M HN 0.172 nan 8.290 nan 0.000 0.425 639 V N 0.642 120.392 119.914 -0.274 0.000 2.255 639 V HA -0.220 3.463 4.120 -0.729 0.000 0.243 639 V C 2.485 178.382 176.094 -0.328 0.000 1.038 639 V CA 1.308 63.443 62.300 -0.274 0.000 1.008 639 V CB -0.577 31.005 31.823 -0.402 0.000 0.645 639 V HN 0.380 nan 8.190 nan 0.000 0.449 640 L N 0.457 121.419 121.223 -0.434 0.000 2.263 640 L HA -0.138 3.764 4.340 -0.729 0.000 0.216 640 L C 2.125 178.480 176.870 -0.858 0.000 1.111 640 L CA 1.554 56.056 54.840 -0.564 0.000 0.773 640 L CB -0.740 40.948 42.059 -0.619 0.000 0.906 640 L HN 0.516 nan 8.230 nan 0.000 0.439 641 G N -1.672 106.656 108.800 -0.787 0.000 3.189 641 G HA2 0.241 3.763 3.960 -0.729 0.000 0.225 641 G HA3 0.241 3.763 3.960 -0.729 0.000 0.225 641 G C 1.392 176.137 174.900 -0.257 0.000 1.159 641 G CA 0.483 45.207 45.100 -0.627 0.000 0.763 641 G HN 0.364 nan 8.290 nan 0.000 0.549 642 A N -0.055 122.640 122.820 -0.208 0.000 2.123 642 A HA 0.455 4.338 4.320 -0.729 0.000 0.214 642 A C 2.059 179.603 177.584 -0.066 0.000 1.152 642 A CA 1.209 53.187 52.037 -0.100 0.000 0.728 642 A CB -0.358 18.605 19.000 -0.061 0.000 0.814 642 A HN 1.425 nan 8.150 nan 0.000 0.464 643 G N 0.127 108.875 108.800 -0.087 0.000 2.221 643 G HA2 -0.295 3.228 3.960 -0.729 0.000 0.265 643 G HA3 -0.295 3.228 3.960 -0.729 0.000 0.265 643 G C 0.965 175.858 174.900 -0.013 0.000 1.041 643 G CA 1.238 46.309 45.100 -0.048 0.000 0.807 643 G HN 1.436 nan 8.290 nan 0.000 0.502 644 S N -0.994 114.713 115.700 0.013 0.000 2.489 644 S HA 0.329 4.362 4.470 -0.729 0.000 0.228 644 S C 2.456 177.062 174.600 0.011 0.000 0.995 644 S CA 1.400 59.616 58.200 0.027 0.000 0.934 644 S CB -0.082 63.164 63.200 0.076 0.000 0.771 644 S HN 2.366 nan 8.310 nan 0.000 0.522 645 G N 0.297 109.108 108.800 0.019 0.000 2.189 645 G HA2 -0.312 3.210 3.960 -0.729 0.000 0.267 645 G HA3 -0.312 3.210 3.960 -0.729 0.000 0.267 645 G C 0.778 175.664 174.900 -0.024 0.000 0.975 645 G CA 0.501 45.602 45.100 0.003 0.000 0.644 645 G HN 0.686 nan 8.290 nan 0.000 0.537 646 V N -0.629 119.255 119.914 -0.050 0.000 2.488 646 V HA 0.262 3.945 4.120 -0.729 0.000 0.246 646 V C 1.213 177.075 176.094 -0.386 0.000 1.046 646 V CA 1.502 63.642 62.300 -0.266 0.000 1.053 646 V CB -0.362 31.182 31.823 -0.464 0.000 0.679 646 V HN 0.297 nan 8.190 nan 0.000 0.458 647 F N -0.117 119.849 119.950 0.027 0.000 2.421 647 F HA 0.427 4.518 4.527 -0.727 0.000 0.337 647 F C 1.075 176.915 175.800 0.068 0.000 1.105 647 F CA -0.658 57.382 58.000 0.067 0.000 1.049 647 F CB 1.460 40.502 39.000 0.071 0.000 1.139 647 F HN -0.261 nan 8.300 nan 0.000 0.479 648 K N 1.416 121.977 120.400 0.267 0.000 2.098 648 K HA 0.115 3.997 4.320 -0.729 0.000 0.203 648 K C -0.091 176.630 176.600 0.202 0.000 1.051 648 K CA 0.920 57.323 56.287 0.194 0.000 0.957 648 K CB 0.264 32.875 32.500 0.186 0.000 0.738 648 K HN 0.805 nan 8.250 nan 0.000 0.447 649 c N -2.445 116.308 118.600 0.255 0.000 3.318 649 c HA 0.913 5.045 4.570 -0.729 0.000 0.322 649 c C -0.191 174.106 174.090 0.345 0.000 1.398 649 c CA -0.666 55.830 56.329 0.279 0.000 1.339 649 c CB 1.107 43.712 42.510 0.159 0.000 1.668 649 c HN 0.363 nan 8.230 nan 0.000 0.462 650 G N 0.032 109.095 108.800 0.438 0.000 2.673 650 G HA2 0.714 4.237 3.960 -0.729 0.000 0.292 650 G HA3 0.714 4.237 3.960 -0.729 0.000 0.292 650 G C -1.970 173.152 174.900 0.372 0.000 1.450 650 G CA -0.677 44.656 45.100 0.389 0.000 0.837 650 G HN 0.969 nan 8.290 nan 0.000 0.505 651 I N 0.752 121.505 120.570 0.305 0.000 2.466 651 I HA 0.626 4.358 4.170 -0.729 0.000 0.289 651 I C 0.139 176.371 176.117 0.191 0.000 1.026 651 I CA -0.964 60.401 61.300 0.108 0.000 1.078 651 I CB 2.293 40.329 38.000 0.060 0.000 1.249 651 I HN 0.652 nan 8.210 nan 0.000 0.429 652 A N 6.420 129.255 122.820 0.025 0.000 2.304 652 A HA 0.784 4.666 4.320 -0.729 0.000 0.314 652 A C -0.812 176.700 177.584 -0.119 0.000 1.187 652 A CA -0.515 51.547 52.037 0.041 0.000 0.810 652 A CB 1.177 20.273 19.000 0.159 0.000 1.183 652 A HN 0.434 nan 8.150 nan 0.000 0.487 653 V N 2.125 121.914 119.914 -0.209 0.000 2.384 653 V HA 0.568 4.251 4.120 -0.729 0.000 0.287 653 V C 0.945 176.724 176.094 -0.526 0.000 1.020 653 V CA 0.303 62.299 62.300 -0.507 0.000 0.850 653 V CB 0.772 31.987 31.823 -1.014 0.000 0.987 653 V HN 2.103 nan 8.190 nan 0.000 0.436 654 A N 5.640 128.153 122.820 -0.512 0.000 2.415 654 A HA -0.107 3.776 4.320 -0.729 0.000 0.292 654 A C -1.741 175.750 177.584 -0.155 0.000 1.452 654 A CA 0.531 52.196 52.037 -0.621 0.000 0.750 654 A CB -1.521 17.281 19.000 -0.330 0.000 1.099 654 A HN 0.622 nan 8.150 nan 0.000 0.391 655 P HA 0.482 nan 4.420 nan 0.000 0.279 655 P C 0.066 177.342 177.300 -0.039 0.000 1.252 655 P CA -0.358 62.739 63.100 -0.006 0.000 0.811 655 P CB 1.456 33.173 31.700 0.029 0.000 1.035 656 V N 1.797 121.592 119.914 -0.198 0.000 2.607 656 V HA 0.136 3.818 4.120 -0.729 0.000 0.289 656 V C 1.637 177.548 176.094 -0.304 0.000 1.053 656 V CA 0.804 62.845 62.300 -0.431 0.000 0.996 656 V CB 0.932 32.105 31.823 -1.085 0.000 0.995 656 V HN 0.854 nan 8.190 nan 0.000 0.476 657 S N 2.674 118.230 115.700 -0.239 0.000 2.619 657 S HA 0.298 4.331 4.470 -0.729 0.000 0.238 657 S C 0.315 174.792 174.600 -0.206 0.000 1.068 657 S CA -0.252 57.882 58.200 -0.110 0.000 0.926 657 S CB 0.293 63.484 63.200 -0.014 0.000 0.864 657 S HN 0.627 nan 8.310 nan 0.000 0.493 658 K N -0.295 119.899 120.400 -0.343 0.000 2.581 658 K HA 0.316 4.199 4.320 -0.729 0.000 0.249 658 K C -1.023 175.323 176.600 -0.424 0.000 0.966 658 K CA -0.690 55.336 56.287 -0.435 0.000 0.811 658 K CB 0.781 32.873 32.500 -0.680 0.000 1.223 658 K HN 0.186 nan 8.250 nan 0.000 0.438 659 W N 2.225 123.470 121.300 -0.091 0.000 2.387 659 W HA -0.105 4.123 4.660 -0.721 0.000 0.272 659 W C 1.125 177.771 176.519 0.212 0.000 1.224 659 W CA 0.654 58.024 57.345 0.041 0.000 1.210 659 W CB 0.311 29.744 29.460 -0.045 0.000 1.125 659 W HN 0.723 nan 8.180 nan 0.000 0.572 660 E N -1.122 119.241 120.200 0.271 0.000 2.418 660 E HA -0.166 3.746 4.350 -0.729 0.000 0.197 660 E C 1.142 177.874 176.600 0.220 0.000 1.026 660 E CA 0.644 57.154 56.400 0.184 0.000 0.862 660 E CB -0.174 29.515 29.700 -0.018 0.000 0.799 660 E HN 0.384 nan 8.360 nan 0.000 0.518 661 Y N -1.398 119.001 120.300 0.165 0.000 2.510 661 Y HA 0.063 4.187 4.550 -0.711 0.000 0.273 661 Y C 0.762 176.745 175.900 0.139 0.000 1.119 661 Y CA -0.374 57.781 58.100 0.092 0.000 1.286 661 Y CB -0.343 38.117 38.460 0.001 0.000 1.061 661 Y HN 0.013 nan 8.280 nan 0.000 0.542 662 Y N 2.150 122.604 120.300 0.256 0.000 2.295 662 Y HA 0.246 4.355 4.550 -0.735 0.000 0.331 662 Y C 0.436 176.555 175.900 0.365 0.000 1.311 662 Y CA -1.888 56.373 58.100 0.268 0.000 1.430 662 Y CB 0.264 38.938 38.460 0.356 0.000 1.339 662 Y HN 0.209 nan 8.280 nan 0.000 0.552 663 D N -0.538 119.641 120.400 -0.369 0.000 2.382 663 D HA 0.069 4.271 4.640 -0.729 0.000 0.240 663 D C 0.991 177.296 176.300 0.009 0.000 1.146 663 D CA 0.411 54.255 54.000 -0.259 0.000 0.897 663 D CB 0.821 41.245 40.800 -0.627 0.000 1.197 663 D HN 0.477 nan 8.370 nan 0.000 0.432 664 S N 1.220 116.931 115.700 0.017 0.000 2.359 664 S HA -0.231 3.802 4.470 -0.729 0.000 0.224 664 S C 1.886 176.533 174.600 0.077 0.000 1.035 664 S CA 1.220 59.475 58.200 0.091 0.000 1.018 664 S CB -0.987 62.268 63.200 0.092 0.000 0.876 664 S HN 0.434 nan 8.310 nan 0.000 0.448 665 V N 0.833 120.739 119.914 -0.012 0.000 2.255 665 V HA -0.176 3.507 4.120 -0.729 0.000 0.247 665 V C 2.326 178.383 176.094 -0.063 0.000 1.051 665 V CA 2.272 64.500 62.300 -0.120 0.000 1.018 665 V CB -1.114 30.477 31.823 -0.387 0.000 0.641 665 V HN 0.620 nan 8.190 nan 0.000 0.445 666 Y N 1.244 121.518 120.300 -0.043 0.000 2.184 666 Y HA -0.209 3.905 4.550 -0.726 0.000 0.290 666 Y C 2.696 178.644 175.900 0.079 0.000 1.129 666 Y CA 2.243 60.394 58.100 0.086 0.000 1.144 666 Y CB -0.550 38.139 38.460 0.383 0.000 0.995 666 Y HN 0.231 nan 8.280 nan 0.000 0.513 667 T N 0.316 115.095 114.554 0.375 0.000 2.674 667 T HA -0.204 3.709 4.350 -0.729 0.000 0.265 667 T C 1.596 176.267 174.700 -0.049 0.000 1.039 667 T CA 1.927 64.156 62.100 0.215 0.000 1.150 667 T CB -0.344 68.797 68.868 0.455 0.000 0.864 667 T HN 0.417 nan 8.240 nan 0.000 0.427 668 E N 0.542 120.750 120.200 0.013 0.000 2.204 668 E HA -0.137 3.775 4.350 -0.729 0.000 0.195 668 E C 2.341 178.819 176.600 -0.203 0.000 0.990 668 E CA 0.615 57.003 56.400 -0.020 0.000 0.821 668 E CB -0.135 29.598 29.700 0.055 0.000 0.750 668 E HN 0.325 nan 8.360 nan 0.000 0.477 669 R N -0.042 120.200 120.500 -0.430 0.000 2.105 669 R HA -0.198 3.705 4.340 -0.729 0.000 0.239 669 R C 1.183 176.924 176.300 -0.931 0.000 1.135 669 R CA 1.609 57.262 56.100 -0.746 0.000 0.967 669 R CB -0.001 29.584 30.300 -1.192 0.000 0.861 669 R HN 0.244 nan 8.270 nan 0.000 0.442 670 Y N -2.386 117.585 120.300 -0.548 0.000 2.498 670 Y HA 0.244 4.355 4.550 -0.730 0.000 0.259 670 Y C 1.619 177.295 175.900 -0.373 0.000 1.086 670 Y CA -0.063 57.699 58.100 -0.564 0.000 1.287 670 Y CB 0.496 38.475 38.460 -0.803 0.000 1.146 670 Y HN -0.041 nan 8.280 nan 0.000 0.523 671 M N -0.372 119.082 119.600 -0.245 0.000 2.308 671 M HA 0.379 4.421 4.480 -0.729 0.000 0.269 671 M C 1.006 177.280 176.300 -0.043 0.000 1.040 671 M CA 0.752 55.896 55.300 -0.260 0.000 1.024 671 M CB -0.217 32.018 32.600 -0.608 0.000 1.465 671 M HN 0.322 nan 8.290 nan 0.000 0.517 672 G N 1.908 110.710 108.800 0.005 0.000 2.698 672 G HA2 -0.241 3.282 3.960 -0.729 0.000 0.233 672 G HA3 -0.241 3.282 3.960 -0.729 0.000 0.233 672 G C -0.517 174.506 174.900 0.205 0.000 1.352 672 G CA -0.774 44.373 45.100 0.079 0.000 0.879 672 G HN 0.353 nan 8.290 nan 0.000 0.567 673 L N 1.850 123.162 121.223 0.148 0.000 2.350 673 L HA 0.403 4.305 4.340 -0.729 0.000 0.275 673 L C -1.272 175.609 176.870 0.019 0.000 1.099 673 L CA -1.679 53.215 54.840 0.090 0.000 0.808 673 L CB 1.687 43.761 42.059 0.026 0.000 1.149 673 L HN 0.462 nan 8.230 nan 0.000 0.442 674 P HA 0.048 nan 4.420 nan 0.000 0.220 674 P C -0.397 176.745 177.300 -0.263 0.000 1.778 674 P CA -0.116 62.564 63.100 -0.699 0.000 0.912 674 P CB -0.477 30.440 31.700 -1.305 0.000 1.861 675 T N -3.176 111.318 114.554 -0.100 0.000 2.918 675 T HA 0.425 4.338 4.350 -0.729 0.000 0.286 675 T C -1.834 172.865 174.700 -0.003 0.000 1.026 675 T CA -2.474 59.598 62.100 -0.047 0.000 1.031 675 T CB 1.864 70.715 68.868 -0.027 0.000 1.046 675 T HN -0.198 nan 8.240 nan 0.000 0.479 676 P HA -0.084 nan 4.420 nan 0.000 0.223 676 P C 0.661 177.978 177.300 0.029 0.000 1.144 676 P CA 1.053 64.166 63.100 0.022 0.000 0.783 676 P CB 0.206 31.914 31.700 0.014 0.000 0.771 677 E N -0.780 119.432 120.200 0.019 0.000 2.216 677 E HA -0.064 3.849 4.350 -0.729 0.000 0.192 677 E C 1.598 178.215 176.600 0.029 0.000 0.988 677 E CA 0.750 57.162 56.400 0.020 0.000 0.834 677 E CB -0.340 29.366 29.700 0.010 0.000 0.772 677 E HN 0.285 nan 8.360 nan 0.000 0.479 678 D N -0.480 119.943 120.400 0.038 0.000 2.910 678 D HA 0.097 4.299 4.640 -0.729 0.000 0.241 678 D C 0.325 176.678 176.300 0.089 0.000 1.346 678 D CA 0.074 54.106 54.000 0.053 0.000 1.227 678 D CB -0.022 40.811 40.800 0.055 0.000 0.926 678 D HN -0.026 nan 8.370 nan 0.000 0.212 679 N N 0.262 119.052 118.700 0.150 0.000 2.282 679 N HA 0.027 4.330 4.740 -0.729 0.000 0.240 679 N C 1.406 177.138 175.510 0.370 0.000 1.182 679 N CA -0.168 53.023 53.050 0.235 0.000 0.874 679 N CB 0.675 39.290 38.487 0.213 0.000 1.126 679 N HN 0.012 nan 8.380 nan 0.000 0.516 680 L N 1.338 122.696 121.223 0.225 0.000 2.051 680 L HA -0.228 3.675 4.340 -0.729 0.000 0.214 680 L C 1.450 178.457 176.870 0.228 0.000 1.076 680 L CA 2.000 56.945 54.840 0.175 0.000 0.758 680 L CB -0.513 41.577 42.059 0.051 0.000 0.890 680 L HN 0.187 nan 8.230 nan 0.000 0.433 681 D N -1.289 119.231 120.400 0.201 0.000 2.133 681 D HA -0.248 3.954 4.640 -0.729 0.000 0.195 681 D C 2.022 178.382 176.300 0.100 0.000 0.997 681 D CA 1.782 55.864 54.000 0.137 0.000 0.840 681 D CB -0.308 40.571 40.800 0.132 0.000 0.947 681 D HN 0.470 nan 8.370 nan 0.000 0.452 682 Y N -0.923 119.436 120.300 0.098 0.000 2.544 682 Y HA -0.037 4.075 4.550 -0.730 0.000 0.286 682 Y C 1.854 177.798 175.900 0.073 0.000 1.141 682 Y CA 0.191 58.321 58.100 0.050 0.000 1.299 682 Y CB -0.251 38.199 38.460 -0.016 0.000 1.030 682 Y HN 0.049 nan 8.280 nan 0.000 0.543 683 Y N -0.506 119.894 120.300 0.165 0.000 2.206 683 Y HA -0.111 4.001 4.550 -0.731 0.000 0.292 683 Y C 2.403 178.361 175.900 0.096 0.000 1.123 683 Y CA 1.257 59.445 58.100 0.148 0.000 1.142 683 Y CB -0.082 38.444 38.460 0.110 0.000 1.006 683 Y HN -0.132 nan 8.280 nan 0.000 0.518 684 R N 0.349 120.981 120.500 0.220 0.000 2.092 684 R HA -0.127 3.775 4.340 -0.729 0.000 0.231 684 R C 1.482 177.809 176.300 0.046 0.000 1.119 684 R CA 1.412 57.570 56.100 0.098 0.000 0.970 684 R CB -0.364 29.970 30.300 0.056 0.000 0.864 684 R HN 0.383 nan 8.270 nan 0.000 0.440 685 N N 0.164 118.869 118.700 0.008 0.000 2.314 685 N HA -0.046 4.256 4.740 -0.729 0.000 0.200 685 N C 0.230 175.742 175.510 0.002 0.000 1.135 685 N CA 0.585 53.614 53.050 -0.035 0.000 0.835 685 N CB 0.576 38.986 38.487 -0.127 0.000 0.989 685 N HN 0.077 nan 8.380 nan 0.000 0.478 686 S N -1.472 114.278 115.700 0.084 0.000 2.629 686 S HA 0.061 4.094 4.470 -0.729 0.000 0.236 686 S C 0.621 175.345 174.600 0.208 0.000 1.010 686 S CA -0.353 57.952 58.200 0.174 0.000 0.981 686 S CB -0.522 62.850 63.200 0.286 0.000 0.919 686 S HN 0.340 nan 8.310 nan 0.000 0.514 687 T N -0.547 114.068 114.554 0.101 0.000 2.899 687 T HA 0.455 4.368 4.350 -0.729 0.000 0.295 687 T C 1.330 176.051 174.700 0.034 0.000 1.033 687 T CA -0.453 61.672 62.100 0.042 0.000 1.084 687 T CB 1.198 70.053 68.868 -0.023 0.000 0.979 687 T HN -0.042 nan 8.240 nan 0.000 0.532 688 V N 2.131 122.054 119.914 0.015 0.000 2.453 688 V HA -0.115 3.567 4.120 -0.729 0.000 0.247 688 V C 2.612 178.677 176.094 -0.048 0.000 1.048 688 V CA 1.555 63.845 62.300 -0.017 0.000 1.049 688 V CB -0.958 30.842 31.823 -0.037 0.000 0.672 688 V HN 0.825 nan 8.190 nan 0.000 0.457 689 M N 1.236 120.793 119.600 -0.071 0.000 2.106 689 M HA -0.186 3.857 4.480 -0.729 0.000 0.259 689 M C 2.351 178.620 176.300 -0.051 0.000 1.068 689 M CA 2.251 57.498 55.300 -0.089 0.000 1.100 689 M CB -1.070 31.491 32.600 -0.065 0.000 1.351 689 M HN 0.522 nan 8.290 nan 0.000 0.404 690 S N -0.243 115.442 115.700 -0.025 0.000 2.500 690 S HA -0.102 3.930 4.470 -0.729 0.000 0.239 690 S C 1.631 176.232 174.600 0.003 0.000 0.989 690 S CA 0.809 59.002 58.200 -0.011 0.000 0.951 690 S CB -0.501 62.694 63.200 -0.008 0.000 0.759 690 S HN 0.562 nan 8.310 nan 0.000 0.523 691 R N 0.053 120.568 120.500 0.025 0.000 2.546 691 R HA 0.470 4.372 4.340 -0.729 0.000 0.320 691 R C 1.964 178.363 176.300 0.164 0.000 1.021 691 R CA 0.401 56.543 56.100 0.070 0.000 1.088 691 R CB -0.020 30.320 30.300 0.067 0.000 1.278 691 R HN 0.436 nan 8.270 nan 0.000 0.557 692 A N 1.557 124.417 122.820 0.066 0.000 1.892 692 A HA -0.276 3.607 4.320 -0.729 0.000 0.218 692 A C 1.990 179.650 177.584 0.127 0.000 1.188 692 A CA 1.819 53.865 52.037 0.015 0.000 0.631 692 A CB -0.236 18.699 19.000 -0.109 0.000 0.822 692 A HN 0.236 nan 8.150 nan 0.000 0.447 693 E N 0.385 120.632 120.200 0.078 0.000 2.097 693 E HA -0.208 3.704 4.350 -0.729 0.000 0.196 693 E C 1.698 178.354 176.600 0.093 0.000 1.000 693 E CA 1.899 58.341 56.400 0.071 0.000 0.804 693 E CB -0.513 29.211 29.700 0.040 0.000 0.740 693 E HN 0.800 nan 8.360 nan 0.000 0.454 694 N N -1.215 117.537 118.700 0.087 0.000 2.443 694 N HA -0.123 4.179 4.740 -0.729 0.000 0.184 694 N C 0.917 176.410 175.510 -0.029 0.000 1.037 694 N CA 0.332 53.386 53.050 0.007 0.000 0.896 694 N CB -0.150 38.294 38.487 -0.073 0.000 0.959 694 N HN 0.141 nan 8.380 nan 0.000 0.442 695 F N 1.523 121.426 119.950 -0.078 0.000 2.546 695 F HA -0.001 4.092 4.527 -0.723 0.000 0.298 695 F C 1.868 177.671 175.800 0.005 0.000 1.120 695 F CA 0.723 58.675 58.000 -0.080 0.000 1.456 695 F CB -0.037 38.864 39.000 -0.164 0.000 1.088 695 F HN -0.079 nan 8.300 nan 0.000 0.572 696 K N -0.052 120.445 120.400 0.162 0.000 2.360 696 K HA -0.181 3.702 4.320 -0.729 0.000 0.201 696 K C 1.462 178.119 176.600 0.096 0.000 1.046 696 K CA 1.055 57.419 56.287 0.129 0.000 0.945 696 K CB -0.238 32.319 32.500 0.094 0.000 0.750 696 K HN 0.415 nan 8.250 nan 0.000 0.464 697 Q N 0.331 120.166 119.800 0.058 0.000 2.360 697 Q HA 0.033 3.936 4.340 -0.729 0.000 0.202 697 Q C 0.261 176.293 176.000 0.054 0.000 0.915 697 Q CA -0.002 55.826 55.803 0.041 0.000 0.943 697 Q CB 0.654 29.398 28.738 0.009 0.000 1.064 697 Q HN 0.141 nan 8.270 nan 0.000 0.511 698 V N -3.772 116.188 119.914 0.078 0.000 3.160 698 V HA 0.471 4.154 4.120 -0.729 0.000 0.310 698 V C -1.281 174.943 176.094 0.216 0.000 1.181 698 V CA -1.312 61.059 62.300 0.118 0.000 1.047 698 V CB 2.326 34.184 31.823 0.059 0.000 1.068 698 V HN -0.070 nan 8.190 nan 0.000 0.441 699 E N 1.313 121.666 120.200 0.256 0.000 2.115 699 E HA 0.433 4.345 4.350 -0.729 0.000 0.282 699 E C -1.901 175.051 176.600 0.588 0.000 0.987 699 E CA -0.365 56.254 56.400 0.364 0.000 0.797 699 E CB 1.608 31.438 29.700 0.216 0.000 1.086 699 E HN 0.661 nan 8.360 nan 0.000 0.397 700 Y N 3.616 124.179 120.300 0.438 0.000 2.393 700 Y HA 0.417 4.530 4.550 -0.727 0.000 0.341 700 Y C -1.395 174.624 175.900 0.198 0.000 0.988 700 Y CA -1.206 57.111 58.100 0.362 0.000 1.078 700 Y CB 0.925 39.639 38.460 0.423 0.000 1.203 700 Y HN 0.423 nan 8.280 nan 0.000 0.453 701 L N 8.089 129.049 121.223 -0.439 0.000 2.342 701 L HA 0.477 4.380 4.340 -0.729 0.000 0.276 701 L C -1.644 174.775 176.870 -0.752 0.000 0.997 701 L CA -0.712 53.698 54.840 -0.716 0.000 0.838 701 L CB 1.011 42.314 42.059 -1.260 0.000 1.224 701 L HN 0.658 nan 8.230 nan 0.000 0.416 702 L N 6.259 127.122 121.223 -0.599 0.000 2.287 702 L HA 0.570 4.473 4.340 -0.729 0.000 0.287 702 L C -0.761 175.997 176.870 -0.187 0.000 1.022 702 L CA -0.444 54.136 54.840 -0.435 0.000 0.814 702 L CB 1.556 43.449 42.059 -0.276 0.000 1.217 702 L HN 0.596 nan 8.230 nan 0.000 0.420 703 I N 3.813 124.294 120.570 -0.147 0.000 2.608 703 I HA 0.501 4.233 4.170 -0.729 0.000 0.295 703 I C -0.854 175.287 176.117 0.040 0.000 1.049 703 I CA -0.759 60.512 61.300 -0.047 0.000 1.063 703 I CB 2.046 39.982 38.000 -0.106 0.000 1.248 703 I HN 0.517 nan 8.210 nan 0.000 0.424 704 H N 2.622 121.775 119.070 0.138 0.000 3.123 704 H HA 0.351 4.486 4.556 -0.701 0.000 0.346 704 H C -0.811 174.749 175.328 0.387 0.000 1.138 704 H CA -0.598 55.587 56.048 0.227 0.000 1.273 704 H CB 2.386 32.261 29.762 0.188 0.000 1.926 704 H HN 0.757 nan 8.280 nan 0.000 0.524 705 G N 1.244 110.403 108.800 0.598 0.000 2.370 705 G HA2 0.223 3.746 3.960 -0.729 0.000 0.272 705 G HA3 0.223 3.746 3.960 -0.729 0.000 0.272 705 G C 1.108 176.265 174.900 0.430 0.000 1.208 705 G CA 0.203 45.587 45.100 0.474 0.000 0.856 705 G HN 0.648 nan 8.290 nan 0.000 0.500 706 T N -0.497 114.157 114.554 0.167 0.000 3.007 706 T HA 0.059 3.972 4.350 -0.729 0.000 0.270 706 T C 1.696 176.329 174.700 -0.111 0.000 1.107 706 T CA 1.221 63.217 62.100 -0.174 0.000 1.118 706 T CB 0.181 68.854 68.868 -0.325 0.000 0.889 706 T HN 0.652 nan 8.240 nan 0.000 0.506 707 A N 0.897 123.733 122.820 0.026 0.000 2.545 707 A HA 0.287 4.170 4.320 -0.729 0.000 0.277 707 A C 0.477 177.965 177.584 -0.159 0.000 1.301 707 A CA -0.507 51.493 52.037 -0.062 0.000 0.935 707 A CB -0.209 19.032 19.000 0.402 0.000 1.093 707 A HN 0.393 nan 8.150 nan 0.000 0.519 708 D N 1.565 121.932 120.400 -0.055 0.000 2.363 708 D HA -0.024 4.179 4.640 -0.729 0.000 0.263 708 D C 0.289 176.541 176.300 -0.080 0.000 1.258 708 D CA 0.250 54.325 54.000 0.126 0.000 0.907 708 D CB 0.711 41.766 40.800 0.425 0.000 1.107 708 D HN 0.557 nan 8.370 nan 0.000 0.495 709 D N 2.615 123.025 120.400 0.016 0.000 2.323 709 D HA -0.143 4.059 4.640 -0.729 0.000 0.209 709 D C 0.992 177.260 176.300 -0.053 0.000 0.973 709 D CA 0.006 53.956 54.000 -0.084 0.000 0.874 709 D CB 0.358 41.059 40.800 -0.164 0.000 0.930 709 D HN 0.251 nan 8.370 nan 0.000 0.521 710 N N 0.897 119.665 118.700 0.114 0.000 2.335 710 N HA -0.054 4.248 4.740 -0.729 0.000 0.197 710 N C 0.012 175.482 175.510 -0.068 0.000 1.045 710 N CA 0.553 53.680 53.050 0.129 0.000 0.928 710 N CB 0.426 38.910 38.487 -0.004 0.000 1.118 710 N HN -0.097 nan 8.380 nan 0.000 0.471 711 V N 3.235 123.117 119.914 -0.052 0.000 2.284 711 V HA 0.191 3.873 4.120 -0.729 0.000 0.260 711 V C -0.415 175.776 176.094 0.161 0.000 1.084 711 V CA -0.393 61.942 62.300 0.058 0.000 0.894 711 V CB -0.639 31.256 31.823 0.121 0.000 1.119 711 V HN 0.285 nan 8.190 nan 0.000 0.484 712 H N 2.987 122.022 119.070 -0.059 0.000 3.038 712 H HA -0.079 4.039 4.556 -0.730 0.000 0.338 712 H C 0.874 176.052 175.328 -0.249 0.000 1.041 712 H CA 0.016 55.953 56.048 -0.184 0.000 1.394 712 H CB 0.757 30.320 29.762 -0.331 0.000 1.357 712 H HN 0.615 nan 8.280 nan 0.000 0.600 713 F N 2.094 121.819 119.950 -0.375 0.000 2.236 713 F HA -0.289 4.161 4.527 -0.129 0.000 0.302 713 F C 2.568 178.096 175.800 -0.454 0.000 1.073 713 F CA 1.731 59.309 58.000 -0.703 0.000 1.336 713 F CB -0.222 38.539 39.000 -0.399 0.000 1.040 713 F HN 0.656 nan 8.300 nan 0.000 0.507 714 Q N 0.208 119.860 119.800 -0.247 0.000 2.096 714 Q HA -0.320 3.583 4.340 -0.729 0.000 0.208 714 Q C 2.128 177.870 176.000 -0.430 0.000 0.993 714 Q CA 2.352 57.955 55.803 -0.333 0.000 0.862 714 Q CB -0.391 28.124 28.738 -0.372 0.000 0.915 714 Q HN 0.565 nan 8.270 nan 0.000 0.416 715 Q N -0.204 119.389 119.800 -0.344 0.000 2.062 715 Q HA -0.166 3.736 4.340 -0.729 0.000 0.209 715 Q C 2.283 178.178 176.000 -0.176 0.000 0.996 715 Q CA 1.956 57.672 55.803 -0.146 0.000 0.859 715 Q CB -0.252 28.485 28.738 -0.002 0.000 0.920 715 Q HN 0.352 nan 8.270 nan 0.000 0.415 716 S N 0.351 115.848 115.700 -0.337 0.000 2.414 716 S HA 0.006 4.038 4.470 -0.729 0.000 0.227 716 S C 1.979 176.336 174.600 -0.405 0.000 1.022 716 S CA 0.684 58.694 58.200 -0.316 0.000 0.958 716 S CB -0.060 62.953 63.200 -0.311 0.000 0.797 716 S HN 0.470 nan 8.310 nan 0.000 0.493 717 A N 1.425 123.884 122.820 -0.601 0.000 1.898 717 A HA -0.112 3.770 4.320 -0.729 0.000 0.216 717 A C 2.144 179.620 177.584 -0.179 0.000 1.181 717 A CA 1.087 52.898 52.037 -0.377 0.000 0.620 717 A CB -0.442 18.377 19.000 -0.301 0.000 0.819 717 A HN 0.339 nan 8.150 nan 0.000 0.442 718 Q N -0.956 118.744 119.800 -0.167 0.000 2.119 718 Q HA -0.110 3.792 4.340 -0.729 0.000 0.201 718 Q C 2.099 178.065 176.000 -0.058 0.000 0.972 718 Q CA 1.277 57.044 55.803 -0.060 0.000 0.847 718 Q CB -0.535 28.229 28.738 0.042 0.000 0.903 718 Q HN 0.600 nan 8.270 nan 0.000 0.433 719 L N 1.121 122.288 121.223 -0.093 0.000 2.027 719 L HA -0.142 3.760 4.340 -0.729 0.000 0.206 719 L C 2.339 179.080 176.870 -0.215 0.000 1.074 719 L CA 2.408 57.161 54.840 -0.145 0.000 0.745 719 L CB -1.033 40.946 42.059 -0.133 0.000 0.898 719 L HN 0.220 nan 8.230 nan 0.000 0.433 720 S N -0.832 114.775 115.700 -0.154 0.000 2.382 720 S HA -0.285 3.747 4.470 -0.729 0.000 0.228 720 S C 2.137 176.726 174.600 -0.018 0.000 1.027 720 S CA 1.389 59.534 58.200 -0.093 0.000 0.991 720 S CB -0.701 62.618 63.200 0.197 0.000 0.823 720 S HN 0.581 nan 8.310 nan 0.000 0.469 721 K N 1.618 122.006 120.400 -0.019 0.000 2.147 721 K HA 0.081 3.963 4.320 -0.729 0.000 0.205 721 K C 2.170 178.753 176.600 -0.028 0.000 1.049 721 K CA 1.062 57.351 56.287 0.004 0.000 0.936 721 K CB -0.594 31.904 32.500 -0.003 0.000 0.722 721 K HN 0.462 nan 8.250 nan 0.000 0.446 722 A N 0.797 123.566 122.820 -0.084 0.000 1.968 722 A HA -0.019 3.864 4.320 -0.729 0.000 0.217 722 A C 1.993 179.495 177.584 -0.137 0.000 1.169 722 A CA 0.885 52.864 52.037 -0.098 0.000 0.638 722 A CB -0.380 18.549 19.000 -0.117 0.000 0.812 722 A HN 0.296 nan 8.150 nan 0.000 0.446 723 L N -0.796 120.281 121.223 -0.244 0.000 2.109 723 L HA -0.102 3.801 4.340 -0.729 0.000 0.207 723 L C 2.452 179.300 176.870 -0.037 0.000 1.086 723 L CA 0.715 55.374 54.840 -0.301 0.000 0.760 723 L CB -0.489 41.077 42.059 -0.822 0.000 0.910 723 L HN 0.217 nan 8.230 nan 0.000 0.437 724 V N -0.111 119.847 119.914 0.073 0.000 2.358 724 V HA -0.269 3.414 4.120 -0.729 0.000 0.246 724 V C 1.993 178.131 176.094 0.073 0.000 1.047 724 V CA 1.809 64.200 62.300 0.152 0.000 1.035 724 V CB -0.450 31.468 31.823 0.158 0.000 0.658 724 V HN 0.429 nan 8.190 nan 0.000 0.452 725 D N 0.413 120.832 120.400 0.032 0.000 2.219 725 D HA -0.053 4.149 4.640 -0.729 0.000 0.205 725 D C 1.965 178.276 176.300 0.018 0.000 0.970 725 D CA 1.415 55.427 54.000 0.021 0.000 0.851 725 D CB -0.098 40.706 40.800 0.006 0.000 0.943 725 D HN 0.479 nan 8.370 nan 0.000 0.488 726 A N -0.274 122.552 122.820 0.010 0.000 2.251 726 A HA 0.415 4.297 4.320 -0.729 0.000 0.209 726 A C 1.704 179.312 177.584 0.040 0.000 1.187 726 A CA 0.898 52.944 52.037 0.014 0.000 0.823 726 A CB -0.116 18.880 19.000 -0.007 0.000 0.846 726 A HN 0.208 nan 8.150 nan 0.000 0.486 727 G N -1.039 107.797 108.800 0.059 0.000 2.160 727 G HA2 -0.177 3.346 3.960 -0.729 0.000 0.244 727 G HA3 -0.177 3.346 3.960 -0.729 0.000 0.244 727 G C 0.048 175.012 174.900 0.107 0.000 1.022 727 G CA 0.191 45.337 45.100 0.078 0.000 0.741 727 G HN 0.778 nan 8.290 nan 0.000 0.508 728 V N 0.486 120.478 119.914 0.130 0.000 2.465 728 V HA 0.504 4.186 4.120 -0.729 0.000 0.279 728 V C 0.373 176.667 176.094 0.334 0.000 1.045 728 V CA -0.433 61.976 62.300 0.183 0.000 0.938 728 V CB 1.770 33.663 31.823 0.117 0.000 0.986 728 V HN 0.383 nan 8.190 nan 0.000 0.467 729 D N 3.931 124.514 120.400 0.305 0.000 2.210 729 D HA 0.637 4.840 4.640 -0.729 0.000 0.249 729 D C -0.718 175.864 176.300 0.470 0.000 1.078 729 D CA 0.023 54.208 54.000 0.309 0.000 0.875 729 D CB 0.911 41.808 40.800 0.161 0.000 1.175 729 D HN 0.336 nan 8.370 nan 0.000 0.440 730 F N -0.263 119.770 119.950 0.137 0.000 2.741 730 F HA 0.456 4.539 4.527 -0.740 0.000 0.313 730 F C -1.082 174.783 175.800 0.107 0.000 1.153 730 F CA -1.107 57.001 58.000 0.179 0.000 0.931 730 F CB 0.671 39.817 39.000 0.243 0.000 1.335 730 F HN 0.187 nan 8.300 nan 0.000 0.460 731 Q N 0.518 120.360 119.800 0.070 0.000 2.215 731 Q HA 0.733 4.635 4.340 -0.729 0.000 0.256 731 Q C -1.066 174.862 176.000 -0.119 0.000 0.972 731 Q CA -0.918 54.835 55.803 -0.083 0.000 0.889 731 Q CB 2.273 31.032 28.738 0.035 0.000 1.281 731 Q HN 0.831 nan 8.270 nan 0.000 0.456 732 T N 1.103 115.571 114.554 -0.144 0.000 2.896 732 T HA 0.678 4.590 4.350 -0.729 0.000 0.297 732 T C -1.681 172.930 174.700 -0.148 0.000 1.108 732 T CA -0.588 61.454 62.100 -0.095 0.000 1.004 732 T CB 1.235 70.076 68.868 -0.046 0.000 1.159 732 T HN 0.501 nan 8.240 nan 0.000 0.499 733 M N 3.270 122.780 119.600 -0.150 0.000 2.331 733 M HA 0.454 4.496 4.480 -0.729 0.000 0.228 733 M C -2.225 173.924 176.300 -0.251 0.000 0.986 733 M CA -0.551 54.526 55.300 -0.372 0.000 0.972 733 M CB 0.826 33.157 32.600 -0.448 0.000 2.359 733 M HN 0.694 nan 8.290 nan 0.000 0.459 734 W N 4.460 125.603 121.300 -0.262 0.000 2.448 734 W HA 0.773 5.121 4.660 -0.521 0.000 0.339 734 W C -1.973 174.290 176.519 -0.425 0.000 1.124 734 W CA -0.838 56.427 57.345 -0.133 0.000 1.262 734 W CB 0.341 29.768 29.460 -0.056 0.000 1.251 734 W HN 0.604 nan 8.180 nan 0.000 0.597 735 Y N 2.408 122.866 120.300 0.265 0.000 2.447 735 Y HA 0.289 4.401 4.550 -0.729 0.000 0.325 735 Y C 0.411 176.426 175.900 0.191 0.000 0.976 735 Y CA -1.198 56.972 58.100 0.117 0.000 1.280 735 Y CB 1.241 39.724 38.460 0.038 0.000 1.104 735 Y HN 0.439 nan 8.280 nan 0.000 0.486 736 T N 4.503 119.236 114.554 0.299 0.000 2.866 736 T HA -0.036 3.877 4.350 -0.729 0.000 0.293 736 T C 0.235 175.002 174.700 0.111 0.000 1.005 736 T CA 0.649 62.839 62.100 0.150 0.000 1.162 736 T CB -0.085 68.804 68.868 0.036 0.000 0.968 736 T HN 0.690 nan 8.240 nan 0.000 0.530 737 D N 0.753 121.199 120.400 0.077 0.000 3.077 737 D HA -0.127 4.075 4.640 -0.729 0.000 0.217 737 D C 0.204 176.646 176.300 0.237 0.000 1.162 737 D CA 1.120 55.138 54.000 0.030 0.000 0.943 737 D CB -0.385 40.234 40.800 -0.302 0.000 1.122 737 D HN 0.587 nan 8.370 nan 0.000 0.413 738 E N 1.018 121.362 120.200 0.240 0.000 2.301 738 E HA 0.311 4.224 4.350 -0.729 0.000 0.275 738 E C 0.708 177.481 176.600 0.288 0.000 1.030 738 E CA -0.286 56.266 56.400 0.254 0.000 0.852 738 E CB 1.137 30.970 29.700 0.221 0.000 1.060 738 E HN 0.359 nan 8.360 nan 0.000 0.401 739 D N -0.039 120.541 120.400 0.301 0.000 2.496 739 D HA -0.026 4.177 4.640 -0.729 0.000 0.283 739 D C 1.153 177.670 176.300 0.362 0.000 1.214 739 D CA -0.177 54.023 54.000 0.333 0.000 1.089 739 D CB -0.007 41.016 40.800 0.371 0.000 1.141 739 D HN 0.400 nan 8.370 nan 0.000 0.580 740 H N -1.351 117.886 119.070 0.279 0.000 2.426 740 H HA -0.002 4.113 4.556 -0.735 0.000 0.298 740 H C 2.035 177.563 175.328 0.333 0.000 1.107 740 H CA 2.248 58.474 56.048 0.296 0.000 1.298 740 H CB -0.570 29.356 29.762 0.273 0.000 1.377 740 H HN 0.497 nan 8.280 nan 0.000 0.519 741 G N -0.137 108.773 108.800 0.184 0.000 2.464 741 G HA2 -0.037 3.485 3.960 -0.729 0.000 0.217 741 G HA3 -0.037 3.485 3.960 -0.729 0.000 0.217 741 G C 0.693 175.742 174.900 0.248 0.000 1.138 741 G CA 0.417 45.554 45.100 0.063 0.000 0.793 741 G HN 0.545 nan 8.290 nan 0.000 0.539 742 I N -0.168 120.550 120.570 0.246 0.000 6.833 742 I HA -0.288 3.444 4.170 -0.729 0.000 0.126 742 I C 1.352 177.566 176.117 0.161 0.000 1.810 742 I CA 0.124 61.530 61.300 0.176 0.000 2.119 742 I CB -1.320 36.761 38.000 0.135 0.000 3.512 742 I HN 0.272 nan 8.210 nan 0.000 0.194 743 A N 1.038 123.933 122.820 0.126 0.000 2.430 743 A HA 0.342 4.225 4.320 -0.729 0.000 0.243 743 A C 1.124 178.742 177.584 0.057 0.000 1.254 743 A CA 0.563 52.645 52.037 0.074 0.000 0.914 743 A CB 0.134 19.144 19.000 0.017 0.000 0.998 743 A HN 0.648 nan 8.150 nan 0.000 0.515 744 S N -0.429 115.319 115.700 0.081 0.000 2.579 744 S HA 0.069 4.102 4.470 -0.729 0.000 0.275 744 S C 0.773 175.421 174.600 0.080 0.000 1.345 744 S CA 0.297 58.540 58.200 0.072 0.000 1.031 744 S CB 0.120 63.369 63.200 0.082 0.000 0.892 744 S HN 0.507 nan 8.310 nan 0.000 0.529 745 N N 1.127 119.863 118.700 0.059 0.000 2.061 745 N HA -0.159 4.143 4.740 -0.729 0.000 0.193 745 N C 1.611 177.180 175.510 0.100 0.000 1.030 745 N CA 1.736 54.831 53.050 0.075 0.000 0.856 745 N CB -0.277 38.233 38.487 0.038 0.000 1.023 745 N HN 0.518 nan 8.380 nan 0.000 0.424 746 M N 0.420 120.064 119.600 0.074 0.000 2.200 746 M HA 0.050 4.093 4.480 -0.729 0.000 0.265 746 M C 2.258 178.607 176.300 0.082 0.000 1.066 746 M CA 0.763 56.107 55.300 0.074 0.000 1.127 746 M CB -1.247 31.388 32.600 0.059 0.000 1.379 746 M HN 0.162 nan 8.290 nan 0.000 0.420 747 A N -0.974 121.876 122.820 0.050 0.000 1.897 747 A HA -0.192 3.690 4.320 -0.729 0.000 0.215 747 A C 2.068 179.596 177.584 -0.094 0.000 1.181 747 A CA 1.976 53.974 52.037 -0.066 0.000 0.620 747 A CB -1.018 17.914 19.000 -0.114 0.000 0.821 747 A HN 0.551 nan 8.150 nan 0.000 0.443 748 H N 0.072 119.111 119.070 -0.052 0.000 2.289 748 H HA -0.172 3.946 4.556 -0.731 0.000 0.296 748 H C 2.087 177.461 175.328 0.076 0.000 1.091 748 H CA 2.464 58.528 56.048 0.027 0.000 1.274 748 H CB -0.303 29.495 29.762 0.061 0.000 1.364 748 H HN 0.569 nan 8.280 nan 0.000 0.490 749 Q N -1.093 118.664 119.800 -0.072 0.000 2.124 749 Q HA -0.190 3.712 4.340 -0.729 0.000 0.202 749 Q C 2.270 178.227 176.000 -0.070 0.000 0.977 749 Q CA 1.349 57.080 55.803 -0.121 0.000 0.850 749 Q CB -0.204 28.516 28.738 -0.030 0.000 0.901 749 Q HN 0.639 nan 8.270 nan 0.000 0.429 750 H N 0.736 119.756 119.070 -0.083 0.000 2.357 750 H HA -0.066 4.055 4.556 -0.725 0.000 0.301 750 H C 2.028 177.327 175.328 -0.048 0.000 1.082 750 H CA 1.289 57.322 56.048 -0.024 0.000 1.342 750 H CB -0.026 29.778 29.762 0.070 0.000 1.389 750 H HN 0.279 nan 8.280 nan 0.000 0.511 751 I N 0.118 120.632 120.570 -0.093 0.000 2.226 751 I HA -0.323 3.409 4.170 -0.729 0.000 0.245 751 I C 1.759 177.626 176.117 -0.417 0.000 1.100 751 I CA 1.262 62.414 61.300 -0.246 0.000 1.374 751 I CB -0.259 37.385 38.000 -0.594 0.000 1.057 751 I HN 0.125 nan 8.210 nan 0.000 0.413 752 Y N 0.863 120.931 120.300 -0.386 0.000 2.373 752 Y HA -0.167 3.949 4.550 -0.724 0.000 0.293 752 Y C 2.693 178.363 175.900 -0.384 0.000 1.129 752 Y CA 1.644 59.396 58.100 -0.579 0.000 1.226 752 Y CB -0.834 37.308 38.460 -0.530 0.000 1.000 752 Y HN 0.157 nan 8.280 nan 0.000 0.549 753 T N -1.754 112.697 114.554 -0.171 0.000 2.812 753 T HA -0.202 3.711 4.350 -0.729 0.000 0.264 753 T C 1.570 176.057 174.700 -0.356 0.000 1.042 753 T CA 1.772 63.716 62.100 -0.259 0.000 1.140 753 T CB -0.392 68.321 68.868 -0.257 0.000 0.870 753 T HN 0.408 nan 8.240 nan 0.000 0.445 754 H N 0.920 119.800 119.070 -0.317 0.000 2.357 754 H HA 0.131 4.253 4.556 -0.723 0.000 0.301 754 H C 2.125 177.399 175.328 -0.091 0.000 1.082 754 H CA 1.493 57.437 56.048 -0.174 0.000 1.342 754 H CB -0.219 29.474 29.762 -0.114 0.000 1.389 754 H HN 0.244 nan 8.280 nan 0.000 0.511 755 M N -0.845 118.669 119.600 -0.143 0.000 2.229 755 M HA -0.127 3.915 4.480 -0.729 0.000 0.264 755 M C 2.308 178.695 176.300 0.145 0.000 1.063 755 M CA 1.240 56.466 55.300 -0.122 0.000 1.114 755 M CB 0.132 32.444 32.600 -0.480 0.000 1.387 755 M HN 0.195 nan 8.290 nan 0.000 0.420 756 S N -0.644 115.156 115.700 0.168 0.000 2.368 756 S HA -0.127 3.905 4.470 -0.729 0.000 0.224 756 S C 1.679 176.376 174.600 0.162 0.000 1.029 756 S CA 0.940 59.339 58.200 0.332 0.000 0.988 756 S CB -0.456 62.956 63.200 0.353 0.000 0.838 756 S HN 0.470 nan 8.310 nan 0.000 0.462 757 H N 0.044 119.164 119.070 0.084 0.000 2.357 757 H HA 0.016 4.134 4.556 -0.731 0.000 0.301 757 H C 1.926 177.246 175.328 -0.014 0.000 1.082 757 H CA 1.071 57.124 56.048 0.008 0.000 1.342 757 H CB -0.830 28.891 29.762 -0.068 0.000 1.389 757 H HN 0.436 nan 8.280 nan 0.000 0.511 758 F N 1.128 121.044 119.950 -0.056 0.000 2.069 758 F HA -0.182 3.912 4.527 -0.723 0.000 0.298 758 F C 2.509 178.253 175.800 -0.094 0.000 1.113 758 F CA 1.036 58.975 58.000 -0.101 0.000 1.214 758 F CB -0.616 38.296 39.000 -0.145 0.000 0.978 758 F HN 0.011 nan 8.300 nan 0.000 0.474 759 L N 0.184 121.434 121.223 0.046 0.000 2.012 759 L HA -0.278 3.625 4.340 -0.729 0.000 0.210 759 L C 2.445 179.122 176.870 -0.322 0.000 1.073 759 L CA 1.880 56.587 54.840 -0.223 0.000 0.748 759 L CB -0.525 41.497 42.059 -0.061 0.000 0.891 759 L HN 0.165 nan 8.230 nan 0.000 0.431 760 K N -0.993 119.369 120.400 -0.063 0.000 2.148 760 K HA -0.183 3.699 4.320 -0.729 0.000 0.204 760 K C 2.126 178.714 176.600 -0.021 0.000 1.050 760 K CA 0.931 57.234 56.287 0.027 0.000 0.942 760 K CB -0.011 32.557 32.500 0.114 0.000 0.724 760 K HN 0.354 nan 8.250 nan 0.000 0.446 761 Q N 0.213 119.950 119.800 -0.105 0.000 2.046 761 Q HA -0.194 3.709 4.340 -0.729 0.000 0.200 761 Q C 2.447 178.345 176.000 -0.171 0.000 0.975 761 Q CA 1.360 57.083 55.803 -0.134 0.000 0.836 761 Q CB -0.554 28.069 28.738 -0.192 0.000 0.896 761 Q HN 0.422 nan 8.270 nan 0.000 0.428 762 c N 0.083 118.484 118.600 -0.332 0.000 2.425 762 c HA -0.090 4.043 4.570 -0.729 0.000 0.277 762 c C 2.120 176.204 174.090 -0.009 0.000 1.280 762 c CA 0.302 56.457 56.329 -0.291 0.000 1.744 762 c CB -1.026 41.166 42.510 -0.529 0.000 1.989 762 c HN 0.342 nan 8.230 nan 0.000 0.491 763 F N 1.695 121.616 119.950 -0.050 0.000 2.765 763 F HA 0.244 4.335 4.527 -0.726 0.000 0.302 763 F C 1.702 177.494 175.800 -0.013 0.000 1.111 763 F CA 0.455 58.447 58.000 -0.014 0.000 1.359 763 F CB -1.141 37.861 39.000 0.003 0.000 1.097 763 F HN 0.226 nan 8.300 nan 0.000 0.577 764 S N 0.735 116.521 115.700 0.142 0.000 3.641 764 S HA -0.201 3.831 4.470 -0.729 0.000 0.346 764 S C 0.084 174.733 174.600 0.081 0.000 1.074 764 S CA 0.125 58.371 58.200 0.077 0.000 1.026 764 S CB -2.134 61.102 63.200 0.059 0.000 0.908 764 S HN 0.231 nan 8.310 nan 0.000 0.479 765 L N 2.064 123.351 121.223 0.108 0.000 2.289 765 L HA 0.476 4.378 4.340 -0.729 0.000 0.285 765 L C -0.922 175.992 176.870 0.074 0.000 1.049 765 L CA -1.841 53.056 54.840 0.097 0.000 0.804 765 L CB 0.380 42.520 42.059 0.135 0.000 1.195 765 L HN 0.073 nan 8.230 nan 0.000 0.428 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.131 63.100 0.052 0.000 0.800 766 P CB 0.000 31.723 31.700 0.039 0.000 0.726