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 2oag_1_D DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFS 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 0.000 174.654 174.600 0.090 0.000 1.055 39 S CA 0.000 58.252 58.200 0.087 0.000 1.107 39 S CB 0.000 63.264 63.200 0.106 0.000 0.593 40 R N 0.788 121.332 120.500 0.073 0.000 3.114 40 R HA -0.192 4.148 4.340 -0.000 0.000 0.701 40 R C 0.141 176.489 176.300 0.080 0.000 0.241 40 R CA 1.305 57.449 56.100 0.074 0.000 2.142 40 R CB -1.091 29.252 30.300 0.073 0.000 0.693 40 R HN 0.958 nan 8.270 nan 0.000 0.677 41 K N 0.087 120.539 120.400 0.087 0.000 2.132 41 K HA 0.412 4.732 4.320 -0.000 0.000 0.241 41 K C -0.283 176.378 176.600 0.101 0.000 1.000 41 K CA -0.087 56.257 56.287 0.094 0.000 0.911 41 K CB 1.202 33.764 32.500 0.103 0.000 1.093 41 K HN 0.881 nan 8.250 nan 0.000 0.460 42 T N -2.284 112.336 114.554 0.110 0.000 2.897 42 T HA 0.228 4.578 4.350 -0.000 0.000 0.278 42 T C -0.364 174.453 174.700 0.194 0.000 0.981 42 T CA -0.639 61.537 62.100 0.127 0.000 0.973 42 T CB 0.347 69.284 68.868 0.116 0.000 1.092 42 T HN 0.449 nan 8.240 nan 0.000 0.543 43 Y N 2.479 122.831 120.300 0.087 0.000 2.486 43 Y HA 0.375 4.925 4.550 -0.000 0.000 0.348 43 Y C 0.923 176.966 175.900 0.237 0.000 1.000 43 Y CA -0.348 57.840 58.100 0.147 0.000 1.253 43 Y CB -0.159 38.349 38.460 0.079 0.000 1.140 43 Y HN 1.021 nan 8.280 nan 0.000 0.526 44 T N 2.598 117.117 114.554 -0.059 0.000 2.862 44 T HA 0.160 4.510 4.350 -0.000 0.000 0.276 44 T C 0.960 175.513 174.700 -0.245 0.000 0.974 44 T CA -0.712 61.386 62.100 -0.003 0.000 0.966 44 T CB 1.177 70.030 68.868 -0.025 0.000 1.072 44 T HN 0.667 nan 8.240 nan 0.000 0.538 45 L N 0.969 121.885 121.223 -0.512 0.000 2.017 45 L HA 0.003 4.343 4.340 -0.000 0.000 0.208 45 L C 2.648 179.363 176.870 -0.259 0.000 1.073 45 L CA 2.240 56.688 54.840 -0.654 0.000 0.745 45 L CB -1.631 39.944 42.059 -0.807 0.000 0.894 45 L HN 0.958 nan 8.230 nan 0.000 0.432 46 T N -0.326 114.097 114.554 -0.217 0.000 2.759 46 T HA -0.185 4.165 4.350 -0.000 0.000 0.269 46 T C 1.513 176.115 174.700 -0.163 0.000 1.042 46 T CA 1.542 63.550 62.100 -0.154 0.000 1.140 46 T CB -0.425 68.375 68.868 -0.113 0.000 0.864 46 T HN 0.437 nan 8.240 nan 0.000 0.455 47 D N 0.012 120.278 120.400 -0.223 0.000 2.123 47 D HA -0.101 4.539 4.640 -0.000 0.000 0.196 47 D C 1.776 177.984 176.300 -0.153 0.000 0.992 47 D CA 1.104 54.948 54.000 -0.259 0.000 0.833 47 D CB -0.339 40.196 40.800 -0.442 0.000 0.954 47 D HN 0.431 nan 8.370 nan 0.000 0.455 48 Y N 1.622 121.748 120.300 -0.291 0.000 2.133 48 Y HA -0.085 4.465 4.550 -0.000 0.000 0.287 48 Y C 2.217 178.130 175.900 0.020 0.000 1.134 48 Y CA 1.152 59.258 58.100 0.010 0.000 1.133 48 Y CB -0.624 37.899 38.460 0.104 0.000 0.987 48 Y HN -0.117 nan 8.280 nan 0.000 0.502 49 L N -0.020 121.011 121.223 -0.320 0.000 2.201 49 L HA -0.150 4.190 4.340 -0.000 0.000 0.212 49 L C 1.784 178.542 176.870 -0.186 0.000 1.105 49 L CA 1.245 55.876 54.840 -0.348 0.000 0.775 49 L CB -0.433 41.495 42.059 -0.219 0.000 0.913 49 L HN 0.074 nan 8.230 nan 0.000 0.440 50 K N -0.157 120.160 120.400 -0.138 0.000 2.358 50 K HA 0.074 4.394 4.320 -0.000 0.000 0.197 50 K C 0.129 176.683 176.600 -0.077 0.000 1.025 50 K CA -0.107 56.123 56.287 -0.095 0.000 1.104 50 K CB -0.271 32.174 32.500 -0.091 0.000 0.855 50 K HN 0.269 nan 8.250 nan 0.000 0.531 51 N N 1.843 120.508 118.700 -0.058 0.000 2.725 51 N HA -0.231 4.509 4.740 -0.000 0.000 0.251 51 N C 0.600 176.101 175.510 -0.015 0.000 1.031 51 N CA 0.458 53.517 53.050 0.014 0.000 0.720 51 N CB -0.369 38.121 38.487 0.005 0.000 0.930 51 N HN 0.342 nan 8.380 nan 0.000 0.543 52 T N -2.765 111.728 114.554 -0.101 0.000 2.833 52 T HA -0.163 4.187 4.350 -0.000 0.000 0.269 52 T C 0.584 175.068 174.700 -0.361 0.000 1.054 52 T CA 1.130 63.056 62.100 -0.291 0.000 1.135 52 T CB -0.169 68.398 68.868 -0.503 0.000 0.869 52 T HN 0.355 nan 8.240 nan 0.000 0.466 53 Y N 1.993 122.391 120.300 0.162 0.000 2.717 53 Y HA 0.632 5.182 4.550 -0.000 0.000 0.329 53 Y C 0.519 176.523 175.900 0.174 0.000 1.017 53 Y CA -1.737 56.477 58.100 0.190 0.000 1.275 53 Y CB 0.364 38.999 38.460 0.292 0.000 1.109 53 Y HN 0.010 nan 8.280 nan 0.000 0.511 54 R N 2.217 122.842 120.500 0.208 0.000 2.490 54 R HA 0.441 4.781 4.340 -0.000 0.000 0.280 54 R C -1.096 175.302 176.300 0.164 0.000 1.077 54 R CA -0.146 56.048 56.100 0.157 0.000 1.065 54 R CB 0.420 30.773 30.300 0.088 0.000 1.003 54 R HN 0.688 nan 8.270 nan 0.000 0.470 55 L N 4.378 125.694 121.223 0.154 0.000 2.282 55 L HA 0.381 4.721 4.340 -0.000 0.000 0.288 55 L C -0.003 176.929 176.870 0.104 0.000 1.033 55 L CA -0.481 54.448 54.840 0.147 0.000 0.807 55 L CB 1.463 43.633 42.059 0.184 0.000 1.209 55 L HN 0.560 nan 8.230 nan 0.000 0.423 56 K N 4.306 124.757 120.400 0.086 0.000 2.174 56 K HA 0.595 4.915 4.320 -0.000 0.000 0.275 56 K C -0.749 175.848 176.600 -0.005 0.000 1.015 56 K CA -0.399 55.911 56.287 0.038 0.000 0.933 56 K CB 1.339 33.859 32.500 0.032 0.000 1.025 56 K HN 0.415 nan 8.250 nan 0.000 0.463 57 L N 1.333 122.486 121.223 -0.116 0.000 2.267 57 L HA 0.505 4.845 4.340 -0.000 0.000 0.264 57 L C -0.914 175.661 176.870 -0.491 0.000 1.021 57 L CA -1.129 53.496 54.840 -0.358 0.000 0.861 57 L CB 0.781 42.767 42.059 -0.122 0.000 1.443 57 L HN 0.550 nan 8.230 nan 0.000 0.475 58 Y N 0.215 120.014 120.300 -0.836 0.000 2.517 58 Y HA 0.309 4.859 4.550 -0.000 0.000 0.328 58 Y C -0.840 174.943 175.900 -0.194 0.000 1.130 58 Y CA -0.634 57.206 58.100 -0.433 0.000 1.280 58 Y CB 1.075 39.163 38.460 -0.620 0.000 1.101 58 Y HN 0.402 nan 8.280 nan 0.000 0.610 59 S N 5.621 121.277 115.700 -0.074 0.000 2.400 59 S HA 0.526 4.996 4.470 -0.000 0.000 0.295 59 S C -0.467 174.100 174.600 -0.054 0.000 1.113 59 S CA -0.521 57.663 58.200 -0.026 0.000 1.064 59 S CB -0.172 63.000 63.200 -0.046 0.000 0.990 59 S HN 0.545 nan 8.310 nan 0.000 0.502 60 L N 1.040 122.221 121.223 -0.071 0.000 2.304 60 L HA 0.817 5.156 4.340 -0.000 0.000 0.268 60 L C -0.103 176.676 176.870 -0.151 0.000 1.010 60 L CA -0.859 53.876 54.840 -0.176 0.000 0.813 60 L CB 0.763 42.414 42.059 -0.680 0.000 1.315 60 L HN 0.291 nan 8.230 nan 0.000 0.445 61 R N 0.745 121.180 120.500 -0.110 0.000 2.507 61 R HA 0.276 4.616 4.340 -0.000 0.000 0.298 61 R C -1.932 174.396 176.300 0.046 0.000 1.087 61 R CA -0.528 55.572 56.100 0.001 0.000 0.917 61 R CB 0.784 31.116 30.300 0.053 0.000 1.173 61 R HN 0.850 nan 8.270 nan 0.000 0.472 62 W N 5.588 126.998 121.300 0.183 0.000 2.322 62 W HA 0.067 4.727 4.660 -0.000 0.000 0.328 62 W C 1.835 178.447 176.519 0.154 0.000 1.395 62 W CA -0.248 57.221 57.345 0.208 0.000 1.267 62 W CB 0.464 30.041 29.460 0.196 0.000 1.259 62 W HN 0.574 nan 8.180 nan 0.000 0.560 63 I N 0.381 121.167 120.570 0.360 0.000 4.057 63 I HA 0.266 4.436 4.170 -0.000 0.000 0.334 63 I C 0.751 177.009 176.117 0.234 0.000 1.308 63 I CA -0.007 61.419 61.300 0.210 0.000 1.125 63 I CB -0.120 37.924 38.000 0.073 0.000 1.034 63 I HN 0.277 nan 8.210 nan 0.000 0.401 64 S N -0.234 115.671 115.700 0.342 0.000 2.929 64 S HA 0.312 4.782 4.470 -0.000 0.000 0.311 64 S C -0.272 174.525 174.600 0.327 0.000 1.213 64 S CA -0.162 58.226 58.200 0.313 0.000 0.908 64 S CB 1.519 64.917 63.200 0.331 0.000 1.287 64 S HN 0.095 nan 8.310 nan 0.000 0.594 65 D N -1.117 119.447 120.400 0.272 0.000 2.363 65 D HA 0.321 4.961 4.640 -0.000 0.000 0.214 65 D C 0.541 176.743 176.300 -0.164 0.000 1.093 65 D CA 0.401 54.377 54.000 -0.040 0.000 0.837 65 D CB 0.035 40.724 40.800 -0.185 0.000 0.948 65 D HN 0.591 nan 8.370 nan 0.000 0.507 66 H N -1.655 117.629 119.070 0.358 0.000 3.643 66 H HA 0.438 4.994 4.556 -0.000 0.000 0.256 66 H C -0.127 175.404 175.328 0.338 0.000 1.107 66 H CA -0.212 56.071 56.048 0.393 0.000 1.175 66 H CB 0.691 30.610 29.762 0.262 0.000 1.519 66 H HN -0.000 nan 8.280 nan 0.000 0.565 67 E N 0.480 120.984 120.200 0.506 0.000 2.369 67 E HA 0.445 4.795 4.350 -0.000 0.000 0.270 67 E C -1.469 175.337 176.600 0.342 0.000 0.909 67 E CA -1.327 55.247 56.400 0.289 0.000 0.775 67 E CB 2.985 32.781 29.700 0.159 0.000 1.270 67 E HN 0.176 nan 8.360 nan 0.000 0.445 68 Y N -1.239 119.072 120.300 0.018 0.000 2.571 68 Y HA 0.576 5.126 4.550 -0.000 0.000 0.341 68 Y C -1.766 174.096 175.900 -0.064 0.000 1.076 68 Y CA -1.323 56.658 58.100 -0.197 0.000 1.029 68 Y CB 0.744 38.687 38.460 -0.862 0.000 1.308 68 Y HN 0.351 nan 8.280 nan 0.000 0.461 69 L N 3.330 124.654 121.223 0.169 0.000 2.307 69 L HA 0.359 4.699 4.340 -0.000 0.000 0.282 69 L C -1.238 175.800 176.870 0.280 0.000 1.051 69 L CA -0.932 53.976 54.840 0.113 0.000 0.804 69 L CB 1.215 43.205 42.059 -0.115 0.000 1.197 69 L HN 0.774 nan 8.230 nan 0.000 0.431 70 Y N 3.826 124.235 120.300 0.182 0.000 2.712 70 Y HA 0.271 4.821 4.550 -0.000 0.000 0.328 70 Y C -0.230 175.664 175.900 -0.009 0.000 0.995 70 Y CA -1.256 56.881 58.100 0.062 0.000 1.283 70 Y CB 0.484 39.023 38.460 0.132 0.000 1.092 70 Y HN 0.404 nan 8.280 nan 0.000 0.519 71 K N 5.400 125.561 120.400 -0.399 0.000 2.395 71 K HA 0.049 4.369 4.320 -0.000 0.000 0.283 71 K C -0.160 176.103 176.600 -0.561 0.000 1.068 71 K CA 0.289 56.351 56.287 -0.376 0.000 1.039 71 K CB 0.545 32.897 32.500 -0.247 0.000 0.924 71 K HN 0.695 nan 8.250 nan 0.000 0.468 72 Q N 1.327 120.910 119.800 -0.361 0.000 2.195 72 Q HA 0.050 4.390 4.340 -0.000 0.000 0.250 72 Q C 0.868 176.769 176.000 -0.164 0.000 0.988 72 Q CA -0.501 55.130 55.803 -0.288 0.000 0.911 72 Q CB 1.240 29.903 28.738 -0.124 0.000 1.258 72 Q HN 0.577 nan 8.270 nan 0.000 0.475 73 E N 0.218 120.350 120.200 -0.113 0.000 2.273 73 E HA -0.250 4.100 4.350 -0.000 0.000 0.198 73 E C 0.551 177.130 176.600 -0.035 0.000 1.002 73 E CA 1.181 57.541 56.400 -0.065 0.000 0.828 73 E CB 0.340 30.014 29.700 -0.044 0.000 0.747 73 E HN 0.442 nan 8.360 nan 0.000 0.491 74 N N -0.474 118.203 118.700 -0.038 0.000 2.820 74 N HA 0.004 4.744 4.740 -0.000 0.000 0.236 74 N C 0.137 175.628 175.510 -0.032 0.000 1.023 74 N CA 0.409 53.447 53.050 -0.019 0.000 1.062 74 N CB 0.247 38.725 38.487 -0.016 0.000 1.582 74 N HN 0.115 nan 8.380 nan 0.000 0.485 75 N N 0.317 118.985 118.700 -0.053 0.000 2.653 75 N HA 0.495 5.235 4.740 -0.000 0.000 0.294 75 N C -1.055 174.399 175.510 -0.094 0.000 1.305 75 N CA -0.566 52.440 53.050 -0.073 0.000 0.827 75 N CB 1.299 39.756 38.487 -0.049 0.000 1.415 75 N HN -0.055 nan 8.380 nan 0.000 0.546 76 I N 0.165 120.689 120.570 -0.077 0.000 2.406 76 I HA 0.348 4.518 4.170 -0.000 0.000 0.290 76 I C -0.736 175.419 176.117 0.063 0.000 0.999 76 I CA -0.803 60.469 61.300 -0.046 0.000 1.124 76 I CB 1.188 39.136 38.000 -0.086 0.000 1.289 76 I HN 0.252 nan 8.210 nan 0.000 0.441 77 L N 6.289 127.569 121.223 0.094 0.000 2.331 77 L HA 0.602 4.942 4.340 -0.000 0.000 0.275 77 L C -0.353 176.570 176.870 0.087 0.000 1.022 77 L CA -0.999 53.880 54.840 0.066 0.000 0.812 77 L CB 2.186 44.260 42.059 0.024 0.000 1.257 77 L HN 0.328 nan 8.230 nan 0.000 0.435 78 V N 2.713 122.607 119.914 -0.034 0.000 2.417 78 V HA 0.498 4.618 4.120 -0.000 0.000 0.291 78 V C -0.873 175.068 176.094 -0.255 0.000 1.024 78 V CA -0.190 62.086 62.300 -0.041 0.000 0.861 78 V CB 1.213 33.089 31.823 0.087 0.000 0.985 78 V HN 0.464 nan 8.190 nan 0.000 0.436 79 F N 5.292 124.986 119.950 -0.425 0.000 2.458 79 F HA 0.498 5.025 4.527 -0.000 0.000 0.330 79 F C 0.544 176.053 175.800 -0.486 0.000 1.082 79 F CA -0.538 57.121 58.000 -0.568 0.000 0.995 79 F CB 1.653 39.991 39.000 -1.103 0.000 1.170 79 F HN 0.516 nan 8.300 nan 0.000 0.478 80 N N 2.044 120.690 118.700 -0.089 0.000 2.462 80 N HA 0.225 4.965 4.740 -0.000 0.000 0.242 80 N C 0.487 175.943 175.510 -0.089 0.000 1.010 80 N CA 0.054 53.088 53.050 -0.027 0.000 0.939 80 N CB 1.696 40.232 38.487 0.081 0.000 1.127 80 N HN 0.814 nan 8.380 nan 0.000 0.509 81 A N 3.585 126.312 122.820 -0.154 0.000 1.986 81 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 81 A C 1.904 179.157 177.584 -0.551 0.000 1.171 81 A CA 1.736 53.577 52.037 -0.327 0.000 0.640 81 A CB -0.375 18.346 19.000 -0.465 0.000 0.811 81 A HN 0.804 nan 8.150 nan 0.000 0.451 82 E N -0.877 119.013 120.200 -0.516 0.000 2.015 82 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 82 E C 1.501 177.790 176.600 -0.519 0.000 0.991 82 E CA 1.899 57.987 56.400 -0.520 0.000 0.802 82 E CB -0.406 28.903 29.700 -0.653 0.000 0.759 82 E HN 0.696 nan 8.360 nan 0.000 0.447 83 Y N -1.635 118.656 120.300 -0.016 0.000 2.509 83 Y HA 0.361 4.911 4.550 -0.000 0.000 0.270 83 Y C 1.736 177.631 175.900 -0.007 0.000 1.103 83 Y CA 0.452 58.548 58.100 -0.006 0.000 1.278 83 Y CB 0.599 39.060 38.460 0.001 0.000 1.087 83 Y HN 0.254 nan 8.280 nan 0.000 0.542 84 G N 0.665 109.527 108.800 0.104 0.000 2.175 84 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.244 84 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.244 84 G C -0.074 174.930 174.900 0.174 0.000 0.982 84 G CA 0.077 45.255 45.100 0.129 0.000 0.641 84 G HN 0.446 nan 8.290 nan 0.000 0.527 85 N N 0.762 119.529 118.700 0.111 0.000 2.525 85 N HA 0.578 5.318 4.740 -0.000 0.000 0.271 85 N C 0.209 175.634 175.510 -0.143 0.000 1.194 85 N CA 0.648 53.702 53.050 0.005 0.000 0.964 85 N CB 1.633 40.126 38.487 0.010 0.000 1.126 85 N HN 0.874 nan 8.380 nan 0.000 0.452 86 S N 0.424 115.930 115.700 -0.324 0.000 2.811 86 S HA 0.834 5.304 4.470 -0.000 0.000 0.311 86 S C -0.814 173.576 174.600 -0.350 0.000 1.152 86 S CA -0.755 57.088 58.200 -0.595 0.000 0.864 86 S CB 1.354 63.658 63.200 -1.493 0.000 1.226 86 S HN 0.667 nan 8.310 nan 0.000 0.541 87 S N -0.333 115.170 115.700 -0.329 0.000 2.552 87 S HA 0.444 4.914 4.470 -0.000 0.000 0.272 87 S C -1.189 173.334 174.600 -0.129 0.000 1.150 87 S CA -0.798 57.295 58.200 -0.177 0.000 0.849 87 S CB 1.420 64.552 63.200 -0.113 0.000 1.113 87 S HN 0.776 nan 8.310 nan 0.000 0.458 88 V N 3.105 122.964 119.914 -0.092 0.000 2.485 88 V HA 0.102 4.222 4.120 -0.000 0.000 0.287 88 V C 0.708 176.790 176.094 -0.021 0.000 1.022 88 V CA 0.430 62.699 62.300 -0.051 0.000 1.067 88 V CB -0.161 31.622 31.823 -0.066 0.000 0.967 88 V HN 0.940 nan 8.190 nan 0.000 0.479 89 F N 6.408 126.304 119.950 -0.091 0.000 2.335 89 F HA 0.251 4.778 4.527 -0.000 0.000 0.296 89 F C 0.556 176.319 175.800 -0.062 0.000 1.091 89 F CA 0.535 58.493 58.000 -0.070 0.000 1.399 89 F CB 0.556 39.523 39.000 -0.055 0.000 1.067 89 F HN 0.378 nan 8.300 nan 0.000 0.520 90 L N -0.024 121.197 121.223 -0.003 0.000 2.795 90 L HA 0.401 4.741 4.340 -0.000 0.000 0.260 90 L C -0.936 175.885 176.870 -0.081 0.000 0.935 90 L CA -0.973 53.818 54.840 -0.082 0.000 0.985 90 L CB 0.122 42.176 42.059 -0.009 0.000 1.433 90 L HN -0.204 nan 8.230 nan 0.000 0.447 91 E N 2.523 122.652 120.200 -0.119 0.000 2.492 91 E HA 0.050 4.400 4.350 -0.000 0.000 0.266 91 E C 1.432 177.974 176.600 -0.097 0.000 1.047 91 E CA 0.879 57.215 56.400 -0.107 0.000 0.968 91 E CB 0.791 30.418 29.700 -0.122 0.000 0.960 91 E HN 0.744 nan 8.360 nan 0.000 0.452 92 N N 0.870 119.536 118.700 -0.056 0.000 2.188 92 N HA -0.187 4.553 4.740 -0.000 0.000 0.184 92 N C 1.266 176.771 175.510 -0.009 0.000 1.018 92 N CA 1.402 54.447 53.050 -0.008 0.000 0.858 92 N CB -0.476 38.009 38.487 -0.004 0.000 0.989 92 N HN 0.374 nan 8.380 nan 0.000 0.426 93 S N 0.009 115.674 115.700 -0.058 0.000 2.507 93 S HA -0.038 4.432 4.470 -0.000 0.000 0.235 93 S C 1.561 176.060 174.600 -0.168 0.000 0.988 93 S CA 0.884 59.039 58.200 -0.074 0.000 0.944 93 S CB -0.916 62.242 63.200 -0.070 0.000 0.762 93 S HN 0.299 nan 8.310 nan 0.000 0.526 94 T N 1.235 115.599 114.554 -0.316 0.000 2.946 94 T HA 0.007 4.357 4.350 -0.000 0.000 0.271 94 T C 0.089 174.173 174.700 -1.027 0.000 1.104 94 T CA 1.069 62.745 62.100 -0.707 0.000 1.114 94 T CB -0.470 67.788 68.868 -1.016 0.000 0.867 94 T HN 0.624 nan 8.240 nan 0.000 0.513 95 F N 0.065 119.968 119.950 -0.079 0.000 2.811 95 F HA 0.340 4.867 4.527 -0.000 0.000 0.342 95 F C 0.847 176.662 175.800 0.025 0.000 1.203 95 F CA -1.308 56.668 58.000 -0.040 0.000 1.173 95 F CB 0.246 39.161 39.000 -0.141 0.000 1.094 95 F HN -0.085 nan 8.300 nan 0.000 0.510 96 D N 1.327 121.783 120.400 0.093 0.000 2.190 96 D HA -0.181 4.459 4.640 -0.000 0.000 0.200 96 D C 1.153 177.501 176.300 0.080 0.000 0.992 96 D CA 1.531 55.574 54.000 0.072 0.000 0.854 96 D CB 0.039 40.850 40.800 0.019 0.000 0.936 96 D HN 0.585 nan 8.370 nan 0.000 0.462 97 E N -0.368 119.885 120.200 0.089 0.000 3.388 97 E HA 0.062 4.412 4.350 -0.000 0.000 0.214 97 E C 0.507 177.159 176.600 0.086 0.000 1.040 97 E CA -0.466 55.967 56.400 0.054 0.000 1.327 97 E CB -0.399 29.309 29.700 0.014 0.000 1.243 97 E HN 0.039 nan 8.360 nan 0.000 0.444 98 F N 1.905 121.853 119.950 -0.003 0.000 2.558 98 F HA 0.191 4.718 4.527 -0.000 0.000 0.298 98 F C 1.627 177.329 175.800 -0.163 0.000 1.119 98 F CA 1.591 59.578 58.000 -0.023 0.000 1.451 98 F CB 0.222 39.215 39.000 -0.010 0.000 1.091 98 F HN 0.411 nan 8.300 nan 0.000 0.563 99 G N -0.552 108.098 108.800 -0.250 0.000 2.199 99 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.254 99 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.254 99 G C 0.146 174.623 174.900 -0.706 0.000 0.982 99 G CA 0.406 45.197 45.100 -0.514 0.000 0.632 99 G HN 0.548 nan 8.290 nan 0.000 0.529 100 H N -0.493 118.509 119.070 -0.114 0.000 2.895 100 H HA 0.617 5.173 4.556 -0.000 0.000 0.373 100 H C -0.591 174.810 175.328 0.121 0.000 1.174 100 H CA -0.029 56.013 56.048 -0.010 0.000 1.144 100 H CB 1.564 31.199 29.762 -0.213 0.000 1.793 100 H HN 0.158 nan 8.280 nan 0.000 0.551 101 S N 2.260 118.088 115.700 0.213 0.000 2.422 101 S HA 0.272 4.742 4.470 -0.000 0.000 0.283 101 S C 0.208 174.835 174.600 0.044 0.000 1.163 101 S CA -0.687 57.574 58.200 0.101 0.000 1.054 101 S CB -0.889 62.356 63.200 0.075 0.000 0.967 101 S HN 0.356 nan 8.310 nan 0.000 0.499 102 I N 6.315 126.828 120.570 -0.095 0.000 2.379 102 I HA 0.135 4.305 4.170 -0.000 0.000 0.290 102 I C 1.620 177.570 176.117 -0.279 0.000 1.063 102 I CA -0.386 60.739 61.300 -0.292 0.000 1.351 102 I CB 0.591 38.188 38.000 -0.671 0.000 1.410 102 I HN 0.739 nan 8.210 nan 0.000 0.505 103 N N 4.580 123.140 118.700 -0.233 0.000 2.353 103 N HA 0.005 4.744 4.740 -0.000 0.000 0.185 103 N C -0.154 175.201 175.510 -0.258 0.000 1.098 103 N CA 0.330 53.244 53.050 -0.226 0.000 0.872 103 N CB 0.585 38.929 38.487 -0.238 0.000 0.970 103 N HN 0.581 nan 8.380 nan 0.000 0.467 104 D N -1.206 118.981 120.400 -0.355 0.000 2.685 104 D HA 0.318 4.958 4.640 -0.000 0.000 0.236 104 D C -1.746 174.325 176.300 -0.383 0.000 1.233 104 D CA -0.445 53.406 54.000 -0.250 0.000 0.760 104 D CB 0.924 41.662 40.800 -0.104 0.000 1.410 104 D HN -0.077 nan 8.370 nan 0.000 0.439 105 Y N -0.070 120.222 120.300 -0.014 0.000 2.598 105 Y HA 0.684 5.234 4.550 -0.000 0.000 0.340 105 Y C 0.167 176.132 175.900 0.108 0.000 1.038 105 Y CA -0.876 57.238 58.100 0.024 0.000 1.100 105 Y CB 2.363 40.829 38.460 0.011 0.000 1.281 105 Y HN 0.166 nan 8.280 nan 0.000 0.488 106 S N 1.605 117.520 115.700 0.359 0.000 2.614 106 S HA 0.488 4.958 4.470 -0.000 0.000 0.259 106 S C -1.494 173.393 174.600 0.480 0.000 1.118 106 S CA -0.467 57.960 58.200 0.380 0.000 1.065 106 S CB -0.172 63.254 63.200 0.378 0.000 1.121 106 S HN 0.564 nan 8.310 nan 0.000 0.458 107 I N 4.561 125.283 120.570 0.253 0.000 2.371 107 I HA 0.260 4.430 4.170 -0.000 0.000 0.290 107 I C 1.059 177.016 176.117 -0.267 0.000 1.028 107 I CA -0.418 60.928 61.300 0.076 0.000 1.345 107 I CB 1.546 39.548 38.000 0.002 0.000 1.407 107 I HN 0.746 nan 8.210 nan 0.000 0.501 108 S N 7.814 123.011 115.700 -0.839 0.000 2.563 108 S HA 0.119 4.589 4.470 -0.000 0.000 0.284 108 S C -1.415 172.880 174.600 -0.508 0.000 1.331 108 S CA -0.956 56.389 58.200 -1.424 0.000 1.047 108 S CB 0.404 62.591 63.200 -1.688 0.000 0.859 108 S HN 0.551 nan 8.310 nan 0.000 0.514 109 P HA -0.029 nan 4.420 nan 0.000 0.236 109 P C 0.352 177.594 177.300 -0.096 0.000 1.172 109 P CA 0.615 63.643 63.100 -0.120 0.000 0.759 109 P CB 0.066 31.730 31.700 -0.059 0.000 0.843 110 D N -0.162 120.152 120.400 -0.143 0.000 2.213 110 D HA 0.011 4.651 4.640 -0.000 0.000 0.205 110 D C 1.842 178.112 176.300 -0.051 0.000 0.961 110 D CA 1.478 55.439 54.000 -0.065 0.000 0.853 110 D CB -0.174 40.633 40.800 0.011 0.000 0.967 110 D HN 0.186 nan 8.370 nan 0.000 0.496 111 G N 0.864 109.624 108.800 -0.067 0.000 2.179 111 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.260 111 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.260 111 G C 1.076 175.962 174.900 -0.024 0.000 0.977 111 G CA 0.675 45.793 45.100 0.031 0.000 0.641 111 G HN 0.388 nan 8.290 nan 0.000 0.533 112 Q N -1.384 118.313 119.800 -0.172 0.000 2.250 112 Q HA 0.355 4.695 4.340 -0.000 0.000 0.200 112 Q C 0.289 175.862 176.000 -0.713 0.000 0.941 112 Q CA 0.724 56.248 55.803 -0.465 0.000 0.872 112 Q CB 0.299 28.681 28.738 -0.592 0.000 0.965 112 Q HN 0.536 nan 8.270 nan 0.000 0.480 113 F N -0.428 119.470 119.950 -0.087 0.000 2.593 113 F HA 0.511 5.038 4.527 -0.000 0.000 0.320 113 F C -0.371 175.504 175.800 0.125 0.000 1.060 113 F CA -1.053 56.958 58.000 0.019 0.000 0.940 113 F CB 1.502 40.533 39.000 0.052 0.000 1.268 113 F HN -0.224 nan 8.300 nan 0.000 0.475 114 I N 2.965 123.872 120.570 0.562 0.000 2.498 114 I HA 0.325 4.495 4.170 -0.000 0.000 0.290 114 I C -1.388 175.072 176.117 0.572 0.000 1.032 114 I CA -0.952 60.669 61.300 0.535 0.000 1.073 114 I CB 2.094 40.403 38.000 0.515 0.000 1.251 114 I HN 0.285 nan 8.210 nan 0.000 0.426 115 L N 7.529 129.096 121.223 0.573 0.000 2.276 115 L HA 0.485 4.825 4.340 -0.000 0.000 0.286 115 L C -0.841 176.160 176.870 0.218 0.000 1.061 115 L CA -0.002 55.069 54.840 0.385 0.000 0.807 115 L CB 0.823 43.069 42.059 0.312 0.000 1.177 115 L HN 0.418 nan 8.230 nan 0.000 0.429 116 L N 5.112 126.386 121.223 0.084 0.000 2.287 116 L HA 0.510 4.850 4.340 -0.000 0.000 0.287 116 L C -0.102 176.708 176.870 -0.101 0.000 1.022 116 L CA -0.418 54.306 54.840 -0.195 0.000 0.814 116 L CB 1.509 43.256 42.059 -0.521 0.000 1.217 116 L HN 0.607 nan 8.230 nan 0.000 0.420 117 E N 3.901 123.966 120.200 -0.225 0.000 2.175 117 E HA 0.469 4.819 4.350 -0.000 0.000 0.278 117 E C -1.591 174.905 176.600 -0.173 0.000 0.969 117 E CA -0.501 55.688 56.400 -0.351 0.000 0.796 117 E CB 1.230 30.765 29.700 -0.275 0.000 1.104 117 E HN 0.454 nan 8.360 nan 0.000 0.395 118 Y N 1.455 121.520 120.300 -0.392 0.000 2.829 118 Y HA 0.433 4.983 4.550 -0.000 0.000 0.322 118 Y C -0.184 175.600 175.900 -0.192 0.000 1.357 118 Y CA -1.685 56.282 58.100 -0.222 0.000 1.081 118 Y CB 0.260 38.656 38.460 -0.107 0.000 1.339 118 Y HN 0.518 nan 8.280 nan 0.000 0.469 119 N N -0.409 118.255 118.700 -0.060 0.000 2.721 119 N HA -0.299 4.441 4.740 -0.000 0.000 0.249 119 N C -1.035 174.412 175.510 -0.105 0.000 1.072 119 N CA 1.031 54.000 53.050 -0.136 0.000 0.710 119 N CB -1.554 36.735 38.487 -0.330 0.000 0.993 119 N HN 0.836 nan 8.380 nan 0.000 0.547 120 Y N 0.165 120.376 120.300 -0.147 0.000 2.569 120 Y HA 0.286 4.836 4.550 -0.000 0.000 0.332 120 Y C -0.025 175.829 175.900 -0.077 0.000 1.120 120 Y CA -0.055 57.965 58.100 -0.134 0.000 1.416 120 Y CB 0.664 39.000 38.460 -0.206 0.000 1.210 120 Y HN -0.008 nan 8.280 nan 0.000 0.528 121 V N 8.212 127.727 119.914 -0.666 0.000 2.380 121 V HA 0.199 4.319 4.120 -0.000 0.000 0.286 121 V C -0.233 175.461 176.094 -0.667 0.000 1.015 121 V CA -1.364 60.615 62.300 -0.535 0.000 0.834 121 V CB 1.197 32.866 31.823 -0.257 0.000 1.009 121 V HN 0.752 nan 8.190 nan 0.000 0.428 122 K N 3.751 123.736 120.400 -0.693 0.000 2.355 122 K HA 0.228 4.548 4.320 -0.000 0.000 0.270 122 K C 0.456 176.902 176.600 -0.257 0.000 1.003 122 K CA 0.181 56.252 56.287 -0.361 0.000 0.957 122 K CB 1.268 33.736 32.500 -0.053 0.000 0.939 122 K HN 0.805 nan 8.250 nan 0.000 0.482 123 Q N 2.878 122.517 119.800 -0.269 0.000 2.471 123 Q HA 0.167 4.507 4.340 -0.000 0.000 0.207 123 Q C -0.011 175.753 176.000 -0.393 0.000 0.889 123 Q CA -0.387 55.065 55.803 -0.585 0.000 0.726 123 Q CB 0.115 28.332 28.738 -0.869 0.000 2.132 123 Q HN 0.742 nan 8.270 nan 0.000 0.531 124 W N 0.092 121.400 121.300 0.013 0.000 1.941 124 W HA 0.325 4.985 4.660 -0.000 0.000 0.629 124 W C 1.828 178.345 176.519 -0.003 0.000 1.517 124 W CA -0.505 56.874 57.345 0.058 0.000 1.502 124 W CB -0.139 29.319 29.460 -0.002 0.000 3.266 124 W HN 0.290 nan 8.180 nan 0.000 0.765 125 R N -0.572 120.038 120.500 0.184 0.000 2.092 125 R HA -0.135 4.204 4.340 -0.000 0.000 0.231 125 R C 1.672 177.805 176.300 -0.278 0.000 1.119 125 R CA 2.008 58.028 56.100 -0.134 0.000 0.970 125 R CB -0.488 29.585 30.300 -0.379 0.000 0.864 125 R HN 0.458 nan 8.270 nan 0.000 0.440 126 H N -1.121 118.043 119.070 0.156 0.000 2.800 126 H HA 0.228 4.784 4.556 -0.000 0.000 0.257 126 H C 0.424 175.878 175.328 0.210 0.000 0.967 126 H CA 0.523 56.688 56.048 0.196 0.000 1.192 126 H CB 0.080 29.932 29.762 0.149 0.000 1.441 126 H HN 0.228 nan 8.280 nan 0.000 0.461 127 S N 1.366 117.099 115.700 0.055 0.000 2.579 127 S HA 0.338 4.808 4.470 -0.000 0.000 0.275 127 S C -0.252 174.255 174.600 -0.154 0.000 1.345 127 S CA -0.374 57.553 58.200 -0.454 0.000 1.031 127 S CB 0.602 63.028 63.200 -1.289 0.000 0.892 127 S HN 0.471 nan 8.310 nan 0.000 0.529 128 Y N -2.392 117.783 120.300 -0.209 0.000 2.765 128 Y HA 0.604 5.154 4.550 -0.000 0.000 0.350 128 Y C -0.919 174.983 175.900 0.004 0.000 1.196 128 Y CA -0.814 57.178 58.100 -0.179 0.000 1.119 128 Y CB 0.395 38.746 38.460 -0.183 0.000 1.368 128 Y HN 0.937 nan 8.280 nan 0.000 0.463 129 T N 0.054 114.674 114.554 0.110 0.000 2.924 129 T HA 1.037 5.387 4.350 -0.000 0.000 0.291 129 T C -0.497 174.288 174.700 0.141 0.000 1.045 129 T CA -0.159 62.010 62.100 0.115 0.000 1.015 129 T CB 1.826 70.711 68.868 0.029 0.000 1.103 129 T HN 2.002 nan 8.240 nan 0.000 0.496 130 A N 0.845 123.722 122.820 0.095 0.000 2.511 130 A HA 0.775 5.095 4.320 -0.000 0.000 0.293 130 A C -0.742 176.644 177.584 -0.330 0.000 1.098 130 A CA -1.003 50.947 52.037 -0.144 0.000 0.643 130 A CB 0.897 19.793 19.000 -0.173 0.000 1.302 130 A HN 0.890 nan 8.150 nan 0.000 0.446 131 S N -0.624 114.629 115.700 -0.746 0.000 2.549 131 S HA 0.794 5.264 4.470 -0.000 0.000 0.297 131 S C -1.557 172.453 174.600 -0.984 0.000 1.115 131 S CA -0.084 57.597 58.200 -0.865 0.000 1.059 131 S CB 0.701 63.043 63.200 -1.431 0.000 1.046 131 S HN 0.446 nan 8.310 nan 0.000 0.506 132 Y N 0.255 120.369 120.300 -0.309 0.000 2.457 132 Y HA 0.470 5.020 4.550 -0.000 0.000 0.343 132 Y C -0.275 175.667 175.900 0.071 0.000 0.994 132 Y CA -0.915 57.136 58.100 -0.081 0.000 1.031 132 Y CB 1.702 40.042 38.460 -0.199 0.000 1.246 132 Y HN 0.502 nan 8.280 nan 0.000 0.449 133 D N 2.919 123.511 120.400 0.321 0.000 2.619 133 D HA 0.519 5.159 4.640 -0.000 0.000 0.241 133 D C -0.905 175.520 176.300 0.207 0.000 1.087 133 D CA -0.336 53.826 54.000 0.270 0.000 0.851 133 D CB 2.696 43.736 40.800 0.400 0.000 1.474 133 D HN 0.419 nan 8.370 nan 0.000 0.478 134 I N 2.184 122.870 120.570 0.194 0.000 2.354 134 I HA 0.204 4.374 4.170 -0.000 0.000 0.292 134 I C -0.743 175.593 176.117 0.364 0.000 0.989 134 I CA -0.888 60.561 61.300 0.248 0.000 1.188 134 I CB 1.116 39.185 38.000 0.114 0.000 1.342 134 I HN 0.219 nan 8.210 nan 0.000 0.457 135 Y N 5.732 126.221 120.300 0.316 0.000 2.330 135 Y HA 0.281 4.831 4.550 -0.000 0.000 0.336 135 Y C -0.068 176.075 175.900 0.405 0.000 1.036 135 Y CA -0.692 57.613 58.100 0.341 0.000 1.125 135 Y CB 1.052 39.742 38.460 0.383 0.000 1.194 135 Y HN 0.481 nan 8.280 nan 0.000 0.469 136 D N 6.167 126.486 120.400 -0.135 0.000 2.316 136 D HA 0.107 4.747 4.640 -0.000 0.000 0.245 136 D C 0.674 176.711 176.300 -0.438 0.000 1.171 136 D CA 0.178 54.111 54.000 -0.111 0.000 0.856 136 D CB 1.049 41.828 40.800 -0.035 0.000 1.090 136 D HN 0.848 nan 8.370 nan 0.000 0.476 137 L N 3.582 124.623 121.223 -0.305 0.000 2.217 137 L HA -0.103 4.237 4.340 -0.000 0.000 0.211 137 L C 2.020 178.739 176.870 -0.251 0.000 1.107 137 L CA 0.319 55.030 54.840 -0.214 0.000 0.783 137 L CB -0.235 41.739 42.059 -0.142 0.000 0.919 137 L HN 0.388 nan 8.230 nan 0.000 0.442 138 N N 1.556 120.075 118.700 -0.301 0.000 2.048 138 N HA -0.181 4.559 4.740 -0.000 0.000 0.193 138 N C 1.604 177.006 175.510 -0.179 0.000 1.061 138 N CA 1.579 54.493 53.050 -0.225 0.000 0.849 138 N CB -0.334 38.014 38.487 -0.231 0.000 1.044 138 N HN 0.419 nan 8.380 nan 0.000 0.429 139 K N 1.366 121.662 120.400 -0.173 0.000 2.525 139 K HA 0.106 4.426 4.320 -0.000 0.000 0.192 139 K C -0.309 176.191 176.600 -0.167 0.000 1.029 139 K CA 0.100 56.307 56.287 -0.133 0.000 1.029 139 K CB 0.055 32.500 32.500 -0.091 0.000 0.814 139 K HN 0.079 nan 8.250 nan 0.000 0.503 140 R N 0.589 120.928 120.500 -0.269 0.000 3.205 140 R HA -0.199 4.141 4.340 -0.000 0.000 0.249 140 R C -0.836 175.262 176.300 -0.336 0.000 0.937 140 R CA 0.632 56.535 56.100 -0.328 0.000 0.641 140 R CB -1.970 28.276 30.300 -0.089 0.000 1.114 140 R HN 0.503 nan 8.270 nan 0.000 0.451 141 Q N 0.122 119.606 119.800 -0.526 0.000 2.456 141 Q HA 0.592 4.932 4.340 -0.000 0.000 0.283 141 Q C -1.044 174.886 176.000 -0.117 0.000 1.084 141 Q CA -0.785 54.908 55.803 -0.183 0.000 0.801 141 Q CB 1.829 30.526 28.738 -0.068 0.000 1.434 141 Q HN 0.322 nan 8.270 nan 0.000 0.419 142 L N 3.050 124.400 121.223 0.213 0.000 2.326 142 L HA 0.461 4.801 4.340 -0.000 0.000 0.278 142 L C -0.372 176.605 176.870 0.178 0.000 1.092 142 L CA -0.531 54.513 54.840 0.340 0.000 0.810 142 L CB 0.791 43.088 42.059 0.397 0.000 1.153 142 L HN 0.617 nan 8.230 nan 0.000 0.439 143 I N 2.627 123.295 120.570 0.162 0.000 2.337 143 I HA 0.033 4.203 4.170 -0.000 0.000 0.291 143 I C 1.280 177.440 176.117 0.072 0.000 1.046 143 I CA -0.021 61.331 61.300 0.086 0.000 1.324 143 I CB 1.347 39.376 38.000 0.048 0.000 1.409 143 I HN 0.702 nan 8.210 nan 0.000 0.494 144 T N 1.265 115.848 114.554 0.048 0.000 3.044 144 T HA 0.077 4.427 4.350 -0.000 0.000 0.250 144 T C 0.592 175.290 174.700 -0.002 0.000 1.081 144 T CA -0.220 61.898 62.100 0.030 0.000 1.040 144 T CB 0.053 68.939 68.868 0.029 0.000 0.962 144 T HN 0.625 nan 8.240 nan 0.000 0.506 145 E N 1.481 121.674 120.200 -0.013 0.000 2.214 145 E HA 0.242 4.592 4.350 -0.000 0.000 0.274 145 E C -0.522 176.044 176.600 -0.057 0.000 0.977 145 E CA -0.627 55.753 56.400 -0.033 0.000 0.827 145 E CB 0.844 30.528 29.700 -0.027 0.000 1.130 145 E HN 0.115 nan 8.360 nan 0.000 0.394 146 E N 0.258 120.412 120.200 -0.077 0.000 2.440 146 E HA -0.255 4.095 4.350 -0.000 0.000 0.246 146 E C 0.158 176.677 176.600 -0.135 0.000 1.165 146 E CA 1.098 57.434 56.400 -0.106 0.000 0.726 146 E CB -1.655 27.988 29.700 -0.094 0.000 1.271 146 E HN 0.763 nan 8.360 nan 0.000 0.397 147 R N -0.174 120.246 120.500 -0.134 0.000 2.774 147 R HA 0.384 4.724 4.340 -0.000 0.000 0.269 147 R C 0.789 176.920 176.300 -0.282 0.000 1.068 147 R CA -0.407 55.599 56.100 -0.157 0.000 1.180 147 R CB 0.455 30.699 30.300 -0.094 0.000 1.077 147 R HN 0.046 nan 8.270 nan 0.000 0.513 148 I N 2.825 123.184 120.570 -0.351 0.000 2.648 148 I HA 0.107 4.277 4.170 -0.000 0.000 0.284 148 I C -1.457 174.342 176.117 -0.529 0.000 1.153 148 I CA -2.004 58.917 61.300 -0.632 0.000 1.426 148 I CB 0.533 38.136 38.000 -0.661 0.000 1.381 148 I HN 0.595 nan 8.210 nan 0.000 0.571 149 P HA 0.047 nan 4.420 nan 0.000 0.272 149 P C -0.904 176.165 177.300 -0.385 0.000 1.230 149 P CA -0.310 62.385 63.100 -0.675 0.000 0.788 149 P CB 0.543 31.418 31.700 -1.376 0.000 0.949 150 N N 1.773 120.336 118.700 -0.227 0.000 2.424 150 N HA 0.027 4.767 4.740 -0.000 0.000 0.257 150 N C 0.715 176.277 175.510 0.087 0.000 1.250 150 N CA 0.061 53.046 53.050 -0.109 0.000 0.946 150 N CB -0.340 38.089 38.487 -0.096 0.000 1.175 150 N HN 0.443 nan 8.380 nan 0.000 0.477 151 N N -1.168 117.568 118.700 0.059 0.000 2.776 151 N HA -0.154 4.586 4.740 -0.000 0.000 0.250 151 N C -0.809 174.854 175.510 0.256 0.000 1.112 151 N CA 0.714 53.841 53.050 0.129 0.000 0.733 151 N CB -1.715 36.858 38.487 0.144 0.000 1.097 151 N HN 0.480 nan 8.380 nan 0.000 0.558 152 T N 0.910 115.611 114.554 0.244 0.000 2.901 152 T HA 0.097 4.447 4.350 -0.000 0.000 0.301 152 T C 1.714 176.553 174.700 0.232 0.000 1.012 152 T CA 0.154 62.418 62.100 0.274 0.000 1.135 152 T CB 1.100 70.033 68.868 0.109 0.000 0.936 152 T HN 0.172 nan 8.240 nan 0.000 0.539 153 Q N 1.748 121.676 119.800 0.212 0.000 2.302 153 Q HA 0.154 4.494 4.340 -0.000 0.000 0.202 153 Q C 0.102 176.231 176.000 0.215 0.000 0.936 153 Q CA 0.378 56.315 55.803 0.223 0.000 0.886 153 Q CB 0.769 29.597 28.738 0.150 0.000 0.986 153 Q HN 0.692 nan 8.270 nan 0.000 0.487 154 W N -0.017 121.218 121.300 -0.108 0.000 3.818 154 W HA 0.411 5.071 4.660 -0.000 0.000 0.283 154 W C -2.351 174.060 176.519 -0.179 0.000 1.265 154 W CA -0.563 56.677 57.345 -0.175 0.000 1.226 154 W CB 1.103 30.401 29.460 -0.269 0.000 1.281 154 W HN -0.375 nan 8.180 nan 0.000 0.539 155 V N 3.722 122.951 119.914 -1.141 0.000 2.789 155 V HA 0.743 4.863 4.120 -0.000 0.000 0.311 155 V C -0.428 175.091 176.094 -0.959 0.000 1.073 155 V CA -0.606 61.150 62.300 -0.906 0.000 0.921 155 V CB 1.928 33.068 31.823 -1.138 0.000 1.009 155 V HN 0.476 nan 8.190 nan 0.000 0.426 156 T N 2.946 117.228 114.554 -0.452 0.000 3.193 156 T HA 0.457 4.807 4.350 -0.000 0.000 0.332 156 T C -1.338 173.384 174.700 0.037 0.000 1.208 156 T CA -0.352 61.662 62.100 -0.144 0.000 1.080 156 T CB 0.631 69.641 68.868 0.237 0.000 1.180 156 T HN 0.513 nan 8.240 nan 0.000 0.469 157 W N 3.104 124.437 121.300 0.054 0.000 2.093 157 W HA 0.453 5.113 4.660 -0.000 0.000 0.352 157 W C 1.302 177.653 176.519 -0.280 0.000 1.294 157 W CA -0.474 56.847 57.345 -0.040 0.000 1.290 157 W CB 0.534 29.981 29.460 -0.021 0.000 1.149 157 W HN 0.773 nan 8.180 nan 0.000 0.606 158 S N 0.616 116.100 115.700 -0.360 0.000 2.614 158 S HA 0.221 4.691 4.470 -0.000 0.000 0.265 158 S C -1.903 172.442 174.600 -0.425 0.000 1.303 158 S CA -1.036 56.454 58.200 -1.184 0.000 1.000 158 S CB 1.038 63.502 63.200 -1.227 0.000 0.935 158 S HN 0.244 nan 8.310 nan 0.000 0.551 159 P HA -0.054 nan 4.420 nan 0.000 0.218 159 P C 1.324 178.584 177.300 -0.066 0.000 1.149 159 P CA 1.113 64.168 63.100 -0.076 0.000 0.817 159 P CB -0.094 31.599 31.700 -0.011 0.000 0.785 160 V N -5.632 114.206 119.914 -0.127 0.000 3.058 160 V HA 0.434 4.554 4.120 -0.000 0.000 0.233 160 V C 1.586 177.609 176.094 -0.118 0.000 1.255 160 V CA 0.881 63.127 62.300 -0.092 0.000 1.267 160 V CB -1.062 30.717 31.823 -0.073 0.000 1.049 160 V HN 0.022 nan 8.190 nan 0.000 0.486 161 G N 1.447 110.141 108.800 -0.178 0.000 3.311 161 G HA2 0.237 4.197 3.960 -0.000 0.000 0.169 161 G HA3 0.237 4.197 3.960 -0.000 0.000 0.169 161 G C 0.694 175.503 174.900 -0.152 0.000 1.852 161 G CA 0.541 45.506 45.100 -0.226 0.000 1.010 161 G HN 0.902 nan 8.290 nan 0.000 0.530 162 H N -0.923 118.170 119.070 0.038 0.000 2.885 162 H HA 0.412 4.968 4.556 -0.000 0.000 0.237 162 H C -0.232 175.311 175.328 0.359 0.000 1.229 162 H CA -0.500 55.646 56.048 0.164 0.000 0.947 162 H CB -0.039 29.877 29.762 0.256 0.000 2.223 162 H HN 0.137 nan 8.280 nan 0.000 0.628 163 K N 1.644 122.163 120.400 0.199 0.000 2.219 163 K HA 0.441 4.761 4.320 -0.000 0.000 0.258 163 K C -0.465 176.251 176.600 0.194 0.000 1.008 163 K CA -0.272 56.094 56.287 0.133 0.000 0.928 163 K CB 1.541 33.942 32.500 -0.165 0.000 0.983 163 K HN 0.154 nan 8.250 nan 0.000 0.484 164 L N 0.905 122.249 121.223 0.201 0.000 2.401 164 L HA 0.562 4.902 4.340 -0.000 0.000 0.266 164 L C -1.085 175.978 176.870 0.322 0.000 0.991 164 L CA -0.842 54.072 54.840 0.123 0.000 0.818 164 L CB 2.183 44.160 42.059 -0.136 0.000 1.321 164 L HN 0.702 nan 8.230 nan 0.000 0.413 165 A N 2.691 125.704 122.820 0.321 0.000 2.359 165 A HA 0.808 5.128 4.320 -0.000 0.000 0.303 165 A C -1.632 175.990 177.584 0.064 0.000 1.066 165 A CA -0.374 51.755 52.037 0.154 0.000 0.730 165 A CB 1.132 20.177 19.000 0.075 0.000 1.211 165 A HN 0.637 nan 8.150 nan 0.000 0.439 166 Y N -0.286 119.978 120.300 -0.061 0.000 2.588 166 Y HA 0.773 5.323 4.550 -0.000 0.000 0.343 166 Y C -1.209 174.701 175.900 0.017 0.000 1.065 166 Y CA -1.606 56.431 58.100 -0.105 0.000 1.038 166 Y CB 1.116 39.437 38.460 -0.231 0.000 1.297 166 Y HN 0.383 nan 8.280 nan 0.000 0.467 167 V N 2.434 122.478 119.914 0.216 0.000 2.459 167 V HA 0.400 4.519 4.120 -0.000 0.000 0.295 167 V C -1.392 174.910 176.094 0.346 0.000 1.029 167 V CA -0.583 61.818 62.300 0.169 0.000 0.874 167 V CB 1.347 33.176 31.823 0.010 0.000 0.985 167 V HN 0.885 nan 8.190 nan 0.000 0.438 168 W N 4.867 126.257 121.300 0.150 0.000 3.259 168 W HA 0.447 5.107 4.660 -0.000 0.000 0.331 168 W C 0.228 176.790 176.519 0.073 0.000 1.144 168 W CA -0.756 56.640 57.345 0.086 0.000 1.227 168 W CB 1.200 30.667 29.460 0.012 0.000 1.371 168 W HN 0.780 nan 8.180 nan 0.000 0.491 169 N N 5.473 123.779 118.700 -0.657 0.000 2.721 169 N HA -0.352 4.388 4.740 -0.000 0.000 0.249 169 N C 0.196 175.523 175.510 -0.304 0.000 1.072 169 N CA 1.057 53.716 53.050 -0.650 0.000 0.710 169 N CB -1.100 36.756 38.487 -1.052 0.000 0.993 169 N HN 0.854 nan 8.380 nan 0.000 0.547 170 N N -1.860 116.730 118.700 -0.184 0.000 2.863 170 N HA -0.166 4.573 4.740 -0.000 0.000 0.245 170 N C -1.259 174.173 175.510 -0.131 0.000 1.001 170 N CA 1.108 54.072 53.050 -0.144 0.000 0.901 170 N CB -0.380 37.979 38.487 -0.214 0.000 1.124 170 N HN 0.428 nan 8.380 nan 0.000 0.582 171 D N 0.594 120.937 120.400 -0.096 0.000 2.340 171 D HA 0.480 5.120 4.640 -0.000 0.000 0.240 171 D C 0.255 176.410 176.300 -0.241 0.000 1.001 171 D CA -0.358 53.513 54.000 -0.215 0.000 0.888 171 D CB 1.615 42.235 40.800 -0.300 0.000 1.310 171 D HN 0.036 nan 8.370 nan 0.000 0.474 172 I N 1.663 121.921 120.570 -0.520 0.000 2.396 172 I HA 0.217 4.387 4.170 -0.000 0.000 0.292 172 I C -0.676 174.969 176.117 -0.786 0.000 0.999 172 I CA -0.417 60.556 61.300 -0.545 0.000 1.310 172 I CB 0.522 38.109 38.000 -0.690 0.000 1.404 172 I HN 0.158 nan 8.210 nan 0.000 0.496 173 Y N 4.106 124.012 120.300 -0.657 0.000 2.512 173 Y HA 0.602 5.152 4.550 -0.000 0.000 0.348 173 Y C -0.333 175.199 175.900 -0.614 0.000 0.990 173 Y CA -0.924 56.733 58.100 -0.737 0.000 1.033 173 Y CB 2.081 39.804 38.460 -1.227 0.000 1.259 173 Y HN 0.106 nan 8.280 nan 0.000 0.461 174 V N 2.833 122.663 119.914 -0.140 0.000 2.531 174 V HA 0.434 4.554 4.120 -0.000 0.000 0.301 174 V C -0.737 175.473 176.094 0.193 0.000 1.034 174 V CA -1.324 61.005 62.300 0.050 0.000 0.865 174 V CB 1.876 33.760 31.823 0.101 0.000 0.995 174 V HN 0.610 nan 8.190 nan 0.000 0.424 175 K N 3.999 124.523 120.400 0.207 0.000 2.449 175 K HA 0.544 4.864 4.320 -0.000 0.000 0.257 175 K C 0.603 177.331 176.600 0.214 0.000 0.989 175 K CA -0.459 55.935 56.287 0.179 0.000 0.916 175 K CB 1.516 34.090 32.500 0.124 0.000 1.136 175 K HN 0.594 nan 8.250 nan 0.000 0.439 176 I N 1.267 121.988 120.570 0.252 0.000 2.353 176 I HA -0.126 4.044 4.170 -0.000 0.000 0.248 176 I C 0.403 176.660 176.117 0.233 0.000 1.119 176 I CA 1.183 62.626 61.300 0.239 0.000 1.417 176 I CB 0.268 38.425 38.000 0.261 0.000 1.078 176 I HN 0.456 nan 8.210 nan 0.000 0.421 177 E N -0.241 120.058 120.200 0.164 0.000 2.234 177 E HA 0.238 4.588 4.350 -0.000 0.000 0.266 177 E C -1.896 174.672 176.600 -0.053 0.000 0.877 177 E CA -1.953 54.506 56.400 0.098 0.000 0.758 177 E CB 1.708 31.459 29.700 0.085 0.000 1.170 177 E HN -0.201 nan 8.360 nan 0.000 0.415 178 P HA -0.206 nan 4.420 nan 0.000 0.218 178 P C 0.745 177.928 177.300 -0.195 0.000 1.150 178 P CA 1.494 64.399 63.100 -0.325 0.000 0.841 178 P CB 0.315 31.524 31.700 -0.819 0.000 0.784 179 N N -2.206 116.406 118.700 -0.148 0.000 2.205 179 N HA 0.045 4.785 4.740 -0.000 0.000 0.201 179 N C 0.035 175.510 175.510 -0.060 0.000 1.128 179 N CA 0.177 53.178 53.050 -0.082 0.000 0.867 179 N CB -0.303 38.155 38.487 -0.048 0.000 0.996 179 N HN 0.062 nan 8.380 nan 0.000 0.503 180 L N 1.090 122.280 121.223 -0.055 0.000 2.416 180 L HA 0.560 4.900 4.340 -0.000 0.000 0.262 180 L C -2.092 174.722 176.870 -0.094 0.000 1.093 180 L CA -2.137 52.670 54.840 -0.055 0.000 0.801 180 L CB 0.528 42.572 42.059 -0.024 0.000 1.191 180 L HN -0.111 nan 8.230 nan 0.000 0.459 181 P HA 0.050 nan 4.420 nan 0.000 0.267 181 P C -0.725 176.417 177.300 -0.263 0.000 1.200 181 P CA -0.023 62.972 63.100 -0.175 0.000 0.772 181 P CB 0.587 32.178 31.700 -0.181 0.000 0.855 182 S N 1.642 117.237 115.700 -0.174 0.000 2.586 182 S HA 0.372 4.842 4.470 -0.000 0.000 0.274 182 S C -1.001 173.489 174.600 -0.183 0.000 1.281 182 S CA -0.343 57.790 58.200 -0.112 0.000 1.035 182 S CB -0.094 63.155 63.200 0.082 0.000 0.962 182 S HN 0.165 nan 8.310 nan 0.000 0.512 183 Y N 2.556 122.875 120.300 0.031 0.000 2.326 183 Y HA 0.397 4.947 4.550 -0.000 0.000 0.337 183 Y C 1.036 176.851 175.900 -0.142 0.000 1.023 183 Y CA -0.572 57.520 58.100 -0.013 0.000 1.143 183 Y CB 0.663 39.115 38.460 -0.014 0.000 1.183 183 Y HN 0.440 nan 8.280 nan 0.000 0.485 184 R N 4.062 124.518 120.500 -0.074 0.000 2.296 184 R HA 0.147 4.487 4.340 -0.000 0.000 0.323 184 R C 0.296 176.347 176.300 -0.416 0.000 1.067 184 R CA 0.136 55.888 56.100 -0.580 0.000 0.946 184 R CB 0.507 30.286 30.300 -0.868 0.000 0.991 184 R HN 0.770 nan 8.270 nan 0.000 0.448 185 I N 1.157 121.380 120.570 -0.578 0.000 2.867 185 I HA -0.015 4.155 4.170 -0.000 0.000 0.265 185 I C 1.232 177.132 176.117 -0.363 0.000 1.162 185 I CA 0.956 62.030 61.300 -0.377 0.000 1.471 185 I CB -0.177 37.554 38.000 -0.449 0.000 1.123 185 I HN 0.398 nan 8.210 nan 0.000 0.440 186 T N -1.479 112.721 114.554 -0.589 0.000 2.906 186 T HA 0.375 4.725 4.350 -0.000 0.000 0.295 186 T C -1.345 173.051 174.700 -0.507 0.000 1.061 186 T CA -0.313 61.556 62.100 -0.385 0.000 1.000 186 T CB 1.239 69.856 68.868 -0.417 0.000 1.103 186 T HN 0.139 nan 8.240 nan 0.000 0.486 187 W N 1.220 122.404 121.300 -0.193 0.000 2.304 187 W HA 0.237 4.897 4.660 -0.000 0.000 0.326 187 W C 1.809 178.271 176.519 -0.095 0.000 0.920 187 W CA -0.138 57.130 57.345 -0.127 0.000 1.518 187 W CB -0.012 29.395 29.460 -0.089 0.000 1.112 187 W HN 0.788 nan 8.180 nan 0.000 0.528 188 T N -2.754 111.839 114.554 0.065 0.000 3.060 188 T HA 0.282 4.632 4.350 -0.000 0.000 0.249 188 T C 1.270 175.962 174.700 -0.013 0.000 1.079 188 T CA 0.225 62.347 62.100 0.036 0.000 1.013 188 T CB -0.128 68.758 68.868 0.031 0.000 0.975 188 T HN 0.015 nan 8.240 nan 0.000 0.518 189 G N 1.324 110.086 108.800 -0.064 0.000 2.287 189 G HA2 0.331 4.291 3.960 -0.000 0.000 0.235 189 G HA3 0.331 4.291 3.960 -0.000 0.000 0.235 189 G C -0.579 174.256 174.900 -0.109 0.000 1.258 189 G CA -0.316 44.721 45.100 -0.106 0.000 0.884 189 G HN 0.583 nan 8.290 nan 0.000 0.518 190 K N 1.863 122.175 120.400 -0.146 0.000 2.589 190 K HA 0.143 4.463 4.320 -0.000 0.000 0.253 190 K C -0.155 176.325 176.600 -0.200 0.000 0.974 190 K CA -0.644 55.561 56.287 -0.138 0.000 0.835 190 K CB 1.407 33.864 32.500 -0.071 0.000 1.272 190 K HN 0.622 nan 8.250 nan 0.000 0.444 191 E N 3.178 123.267 120.200 -0.186 0.000 2.900 191 E HA -0.194 4.155 4.350 -0.000 0.000 0.259 191 E C -0.477 176.042 176.600 -0.135 0.000 0.918 191 E CA 1.294 57.587 56.400 -0.177 0.000 0.960 191 E CB 0.217 29.848 29.700 -0.115 0.000 0.908 191 E HN 0.672 nan 8.360 nan 0.000 0.511 192 D N 2.320 122.633 120.400 -0.145 0.000 3.028 192 D HA -0.254 4.386 4.640 -0.000 0.000 0.211 192 D C 0.672 177.043 176.300 0.118 0.000 1.136 192 D CA 1.293 55.337 54.000 0.074 0.000 0.987 192 D CB -0.405 40.464 40.800 0.114 0.000 1.128 192 D HN 0.410 nan 8.370 nan 0.000 0.406 193 I N -0.545 120.002 120.570 -0.038 0.000 3.650 193 I HA 0.199 4.369 4.170 -0.000 0.000 0.261 193 I C 1.045 177.248 176.117 0.143 0.000 1.154 193 I CA 0.485 61.841 61.300 0.093 0.000 1.418 193 I CB 0.285 38.311 38.000 0.043 0.000 1.539 193 I HN -0.113 nan 8.210 nan 0.000 0.449 194 I N 1.165 121.717 120.570 -0.030 0.000 2.418 194 I HA 0.245 4.415 4.170 -0.000 0.000 0.287 194 I C -1.454 174.640 176.117 -0.038 0.000 1.008 194 I CA -0.638 60.711 61.300 0.082 0.000 1.104 194 I CB 1.724 39.757 38.000 0.055 0.000 1.264 194 I HN -0.044 nan 8.210 nan 0.000 0.438 195 Y N 4.737 125.126 120.300 0.148 0.000 2.334 195 Y HA 0.398 4.948 4.550 -0.000 0.000 0.336 195 Y C 0.129 176.078 175.900 0.081 0.000 0.960 195 Y CA -1.053 57.133 58.100 0.144 0.000 1.164 195 Y CB 0.835 39.464 38.460 0.283 0.000 1.155 195 Y HN 0.424 nan 8.280 nan 0.000 0.478 196 N N 2.118 120.872 118.700 0.089 0.000 2.446 196 N HA 0.352 5.091 4.740 -0.000 0.000 0.265 196 N C 0.859 176.302 175.510 -0.112 0.000 0.975 196 N CA 0.437 53.475 53.050 -0.021 0.000 0.928 196 N CB 1.847 40.229 38.487 -0.176 0.000 1.160 196 N HN 0.964 nan 8.380 nan 0.000 0.495 197 G N 1.610 110.362 108.800 -0.080 0.000 2.184 197 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.264 197 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.264 197 G C 0.138 174.876 174.900 -0.270 0.000 0.975 197 G CA 0.786 45.758 45.100 -0.213 0.000 0.642 197 G HN 0.658 nan 8.290 nan 0.000 0.536 198 I N -1.693 118.803 120.570 -0.123 0.000 2.828 198 I HA 0.802 4.972 4.170 -0.000 0.000 0.302 198 I C 0.280 176.470 176.117 0.121 0.000 1.101 198 I CA -0.640 60.526 61.300 -0.224 0.000 1.031 198 I CB 2.067 39.789 38.000 -0.463 0.000 1.231 198 I HN 0.170 nan 8.210 nan 0.000 0.427 199 T N -0.206 114.356 114.554 0.013 0.000 2.913 199 T HA 0.377 4.727 4.350 -0.000 0.000 0.287 199 T C -0.170 174.410 174.700 -0.199 0.000 1.008 199 T CA -0.660 61.329 62.100 -0.186 0.000 1.067 199 T CB 1.275 70.069 68.868 -0.123 0.000 0.996 199 T HN 0.758 nan 8.240 nan 0.000 0.513 200 D N 0.476 120.483 120.400 -0.654 0.000 2.478 200 D HA 0.044 4.684 4.640 -0.000 0.000 0.269 200 D C 0.993 177.231 176.300 -0.103 0.000 1.232 200 D CA -1.091 52.502 54.000 -0.678 0.000 1.059 200 D CB 0.093 40.373 40.800 -0.866 0.000 1.104 200 D HN 0.701 nan 8.370 nan 0.000 0.566 201 W N 0.213 121.475 121.300 -0.064 0.000 2.315 201 W HA -0.254 4.406 4.660 -0.000 0.000 0.323 201 W C 2.248 178.670 176.519 -0.161 0.000 1.233 201 W CA 2.664 59.956 57.345 -0.089 0.000 1.267 201 W CB -0.588 28.755 29.460 -0.196 0.000 1.160 201 W HN 0.187 nan 8.180 nan 0.000 0.474 202 V N -0.104 119.881 119.914 0.118 0.000 2.407 202 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 202 V C 1.915 177.832 176.094 -0.295 0.000 1.055 202 V CA 2.152 64.390 62.300 -0.103 0.000 1.049 202 V CB -0.775 30.989 31.823 -0.100 0.000 0.662 202 V HN 0.335 nan 8.190 nan 0.000 0.455 203 Y N 0.438 120.547 120.300 -0.317 0.000 2.314 203 Y HA -0.142 4.408 4.550 -0.000 0.000 0.293 203 Y C 2.581 178.373 175.900 -0.180 0.000 1.129 203 Y CA 2.008 59.926 58.100 -0.303 0.000 1.201 203 Y CB -0.004 38.144 38.460 -0.521 0.000 0.999 203 Y HN 0.384 nan 8.280 nan 0.000 0.541 204 E N 0.310 120.469 120.200 -0.067 0.000 2.028 204 E HA -0.277 4.073 4.350 -0.000 0.000 0.191 204 E C 1.991 178.552 176.600 -0.065 0.000 0.988 204 E CA 1.512 57.903 56.400 -0.015 0.000 0.799 204 E CB 0.038 29.729 29.700 -0.016 0.000 0.755 204 E HN 0.414 nan 8.360 nan 0.000 0.447 205 E N 0.272 120.246 120.200 -0.376 0.000 2.051 205 E HA -0.150 4.200 4.350 -0.000 0.000 0.189 205 E C 1.806 178.288 176.600 -0.198 0.000 0.979 205 E CA 1.436 57.607 56.400 -0.383 0.000 0.803 205 E CB 0.105 29.227 29.700 -0.964 0.000 0.761 205 E HN 0.186 nan 8.360 nan 0.000 0.451 206 E N -0.362 119.691 120.200 -0.246 0.000 2.276 206 E HA 0.009 4.359 4.350 -0.000 0.000 0.193 206 E C 1.919 178.397 176.600 -0.203 0.000 0.983 206 E CA 0.988 57.290 56.400 -0.163 0.000 0.861 206 E CB 0.655 30.236 29.700 -0.198 0.000 0.817 206 E HN 0.314 nan 8.360 nan 0.000 0.485 207 V N -1.542 118.198 119.914 -0.290 0.000 2.996 207 V HA 0.113 4.233 4.120 -0.000 0.000 0.235 207 V C 1.202 177.094 176.094 -0.336 0.000 1.205 207 V CA 0.343 62.410 62.300 -0.389 0.000 1.225 207 V CB -0.140 31.279 31.823 -0.672 0.000 0.995 207 V HN -0.013 nan 8.190 nan 0.000 0.484 208 F N 1.204 121.161 119.950 0.012 0.000 2.746 208 F HA 0.465 4.992 4.527 -0.000 0.000 0.297 208 F C 1.709 177.469 175.800 -0.066 0.000 1.113 208 F CA 0.630 58.651 58.000 0.036 0.000 1.367 208 F CB -0.156 38.909 39.000 0.108 0.000 1.111 208 F HN 0.172 nan 8.300 nan 0.000 0.590 209 S N 0.381 116.091 115.700 0.017 0.000 3.581 209 S HA -0.025 4.445 4.470 -0.000 0.000 0.354 209 S C 0.050 174.200 174.600 -0.750 0.000 1.059 209 S CA 0.448 58.497 58.200 -0.252 0.000 1.060 209 S CB -1.465 61.660 63.200 -0.125 0.000 0.908 209 S HN 0.645 nan 8.310 nan 0.000 0.475 210 A N -0.649 121.968 122.820 -0.340 0.000 2.601 210 A HA 0.706 5.026 4.320 -0.000 0.000 0.291 210 A C -0.360 177.206 177.584 -0.030 0.000 1.075 210 A CA -0.409 51.472 52.037 -0.259 0.000 0.671 210 A CB 0.285 19.156 19.000 -0.214 0.000 1.277 210 A HN 0.358 nan 8.150 nan 0.000 0.417 211 Y N 1.114 121.268 120.300 -0.243 0.000 2.476 211 Y HA 0.237 4.787 4.550 -0.000 0.000 0.283 211 Y C 1.507 177.128 175.900 -0.465 0.000 1.109 211 Y CA 0.823 58.790 58.100 -0.222 0.000 1.246 211 Y CB 0.019 38.409 38.460 -0.116 0.000 1.068 211 Y HN 0.706 nan 8.280 nan 0.000 0.552 212 S N 0.812 115.971 115.700 -0.902 0.000 2.549 212 S HA 0.467 4.937 4.470 -0.000 0.000 0.279 212 S C 0.296 174.351 174.600 -0.909 0.000 1.321 212 S CA 0.130 57.539 58.200 -1.319 0.000 1.054 212 S CB 0.650 62.625 63.200 -2.041 0.000 0.899 212 S HN 0.428 nan 8.310 nan 0.000 0.497 213 A N 4.356 126.650 122.820 -0.876 0.000 2.795 213 A HA 0.530 4.850 4.320 -0.000 0.000 0.282 213 A C -0.703 176.154 177.584 -1.211 0.000 0.964 213 A CA -0.641 50.841 52.037 -0.925 0.000 1.045 213 A CB -0.446 18.410 19.000 -0.240 0.000 1.174 213 A HN 0.969 nan 8.150 nan 0.000 0.493 214 L N -4.975 115.365 121.223 -1.472 0.000 2.409 214 L HA 0.915 5.255 4.340 -0.000 0.000 0.262 214 L C -1.298 174.962 176.870 -1.016 0.000 0.992 214 L CA -1.164 53.112 54.840 -0.940 0.000 0.817 214 L CB 1.125 42.899 42.059 -0.477 0.000 1.350 214 L HN 0.211 nan 8.230 nan 0.000 0.411 215 W N 1.511 122.845 121.300 0.055 0.000 2.802 215 W HA 0.315 4.975 4.660 -0.000 0.000 0.331 215 W C -1.498 175.219 176.519 0.330 0.000 1.021 215 W CA -0.770 56.730 57.345 0.259 0.000 1.259 215 W CB 1.399 31.089 29.460 0.383 0.000 1.323 215 W HN 0.616 nan 8.180 nan 0.000 0.432 216 W N 2.336 123.822 121.300 0.310 0.000 2.137 216 W HA 0.212 4.872 4.660 -0.000 0.000 0.344 216 W C 1.326 177.627 176.519 -0.364 0.000 1.286 216 W CA 0.459 57.843 57.345 0.065 0.000 1.240 216 W CB 0.694 30.179 29.460 0.043 0.000 1.141 216 W HN 0.180 nan 8.180 nan 0.000 0.579 217 S N 2.123 117.527 115.700 -0.493 0.000 2.603 217 S HA 0.211 4.681 4.470 -0.000 0.000 0.268 217 S C -1.793 172.546 174.600 -0.435 0.000 1.317 217 S CA -1.059 56.315 58.200 -1.377 0.000 1.012 217 S CB 1.098 63.628 63.200 -1.116 0.000 0.926 217 S HN 0.271 nan 8.310 nan 0.000 0.539 218 P HA -0.222 nan 4.420 nan 0.000 0.219 218 P C 0.982 178.262 177.300 -0.033 0.000 1.161 218 P CA 1.986 65.061 63.100 -0.042 0.000 0.909 218 P CB -0.226 31.496 31.700 0.037 0.000 0.793 219 N N -2.219 116.451 118.700 -0.049 0.000 2.336 219 N HA 0.109 4.849 4.740 -0.000 0.000 0.189 219 N C 1.089 176.547 175.510 -0.086 0.000 1.113 219 N CA 0.828 53.849 53.050 -0.050 0.000 0.858 219 N CB -0.752 37.717 38.487 -0.030 0.000 0.970 219 N HN 0.223 nan 8.380 nan 0.000 0.471 220 G N -1.402 107.358 108.800 -0.067 0.000 2.141 220 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.242 220 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.242 220 G C 0.879 175.833 174.900 0.089 0.000 0.982 220 G CA 0.629 45.711 45.100 -0.030 0.000 0.662 220 G HN 0.367 nan 8.290 nan 0.000 0.527 221 T N -0.091 114.445 114.554 -0.030 0.000 2.770 221 T HA 0.266 4.616 4.350 -0.000 0.000 0.263 221 T C 0.840 175.419 174.700 -0.202 0.000 1.039 221 T CA 1.141 63.130 62.100 -0.186 0.000 1.142 221 T CB -0.062 68.560 68.868 -0.410 0.000 0.868 221 T HN 0.277 nan 8.240 nan 0.000 0.435 222 F N 0.334 120.318 119.950 0.056 0.000 2.432 222 F HA 0.635 5.162 4.527 -0.000 0.000 0.329 222 F C -0.215 175.619 175.800 0.057 0.000 1.076 222 F CA -1.608 56.442 58.000 0.083 0.000 1.018 222 F CB 1.090 40.191 39.000 0.168 0.000 1.201 222 F HN -0.116 nan 8.300 nan 0.000 0.489 223 L N 2.495 123.848 121.223 0.215 0.000 2.372 223 L HA 0.773 5.113 4.340 -0.000 0.000 0.273 223 L C -0.714 176.226 176.870 0.117 0.000 0.989 223 L CA -0.497 54.278 54.840 -0.109 0.000 0.841 223 L CB 0.736 42.480 42.059 -0.525 0.000 1.225 223 L HN 0.652 nan 8.230 nan 0.000 0.414 224 A N 4.569 127.543 122.820 0.256 0.000 2.303 224 A HA 0.816 5.136 4.320 -0.000 0.000 0.317 224 A C -1.420 176.228 177.584 0.106 0.000 1.149 224 A CA -0.229 51.859 52.037 0.085 0.000 0.822 224 A CB 0.654 19.797 19.000 0.239 0.000 1.131 224 A HN 0.914 nan 8.150 nan 0.000 0.493 225 Y N -1.874 118.185 120.300 -0.402 0.000 2.592 225 Y HA 0.727 5.277 4.550 -0.000 0.000 0.334 225 Y C -0.403 175.319 175.900 -0.297 0.000 1.136 225 Y CA -0.897 57.059 58.100 -0.240 0.000 1.042 225 Y CB 0.735 39.030 38.460 -0.276 0.000 1.325 225 Y HN 0.953 nan 8.280 nan 0.000 0.457 226 A N 2.399 125.240 122.820 0.034 0.000 2.320 226 A HA 0.709 5.029 4.320 -0.000 0.000 0.334 226 A C -1.120 176.321 177.584 -0.239 0.000 1.147 226 A CA -0.842 51.106 52.037 -0.149 0.000 0.820 226 A CB 1.704 20.593 19.000 -0.185 0.000 1.218 226 A HN 0.830 nan 8.150 nan 0.000 0.482 227 Q N 0.959 120.555 119.800 -0.340 0.000 2.321 227 Q HA 0.593 4.933 4.340 -0.000 0.000 0.270 227 Q C -2.063 173.690 176.000 -0.412 0.000 1.032 227 Q CA -0.374 55.328 55.803 -0.167 0.000 0.784 227 Q CB 1.039 29.897 28.738 0.200 0.000 1.264 227 Q HN 0.585 nan 8.270 nan 0.000 0.448 228 F N 2.291 122.337 119.950 0.160 0.000 2.443 228 F HA 0.410 4.937 4.527 -0.000 0.000 0.335 228 F C 0.460 176.412 175.800 0.254 0.000 1.104 228 F CA -0.903 57.170 58.000 0.121 0.000 1.013 228 F CB 1.356 40.326 39.000 -0.050 0.000 1.136 228 F HN 0.449 nan 8.300 nan 0.000 0.470 229 N N 1.979 120.902 118.700 0.371 0.000 2.564 229 N HA 0.193 4.933 4.740 -0.000 0.000 0.248 229 N C -0.773 174.916 175.510 0.298 0.000 0.986 229 N CA -0.279 52.955 53.050 0.307 0.000 0.921 229 N CB 0.839 39.451 38.487 0.209 0.000 1.136 229 N HN 0.532 nan 8.380 nan 0.000 0.509 230 D N 1.392 122.000 120.400 0.347 0.000 2.342 230 D HA 0.106 4.746 4.640 -0.000 0.000 0.221 230 D C 1.256 177.683 176.300 0.212 0.000 1.101 230 D CA 0.218 54.393 54.000 0.291 0.000 0.837 230 D CB 0.503 41.534 40.800 0.385 0.000 0.938 230 D HN 0.473 nan 8.370 nan 0.000 0.508 231 T N 0.417 115.079 114.554 0.180 0.000 2.620 231 T HA -0.229 4.121 4.350 -0.000 0.000 0.267 231 T C 1.276 176.039 174.700 0.106 0.000 1.044 231 T CA 1.345 63.521 62.100 0.127 0.000 1.161 231 T CB -0.054 68.877 68.868 0.106 0.000 0.862 231 T HN 0.315 nan 8.240 nan 0.000 0.438 232 E N 0.490 120.752 120.200 0.104 0.000 2.451 232 E HA 0.187 4.537 4.350 -0.000 0.000 0.194 232 E C -0.579 176.074 176.600 0.088 0.000 1.027 232 E CA -0.209 56.241 56.400 0.084 0.000 0.914 232 E CB 0.580 30.322 29.700 0.070 0.000 1.054 232 E HN 0.226 nan 8.360 nan 0.000 0.461 233 V N 3.341 123.320 119.914 0.109 0.000 2.488 233 V HA 0.112 4.232 4.120 -0.000 0.000 0.277 233 V C -1.963 174.189 176.094 0.096 0.000 1.046 233 V CA -1.500 60.866 62.300 0.110 0.000 0.986 233 V CB 0.501 32.405 31.823 0.136 0.000 0.989 233 V HN 0.059 nan 8.190 nan 0.000 0.475 234 P HA 0.234 nan 4.420 nan 0.000 0.271 234 P C -0.773 176.567 177.300 0.066 0.000 1.233 234 P CA -0.203 62.936 63.100 0.065 0.000 0.789 234 P CB 0.490 32.227 31.700 0.061 0.000 0.951 235 L N 1.585 122.825 121.223 0.028 0.000 2.317 235 L HA 0.477 4.817 4.340 -0.000 0.000 0.281 235 L C 0.166 176.993 176.870 -0.072 0.000 1.024 235 L CA -0.988 53.850 54.840 -0.003 0.000 0.810 235 L CB 1.242 43.292 42.059 -0.014 0.000 1.240 235 L HN 0.278 nan 8.230 nan 0.000 0.427 236 I N 2.395 122.877 120.570 -0.147 0.000 2.396 236 I HA 0.273 4.443 4.170 -0.000 0.000 0.292 236 I C -0.397 175.566 176.117 -0.258 0.000 0.999 236 I CA 0.214 61.329 61.300 -0.309 0.000 1.310 236 I CB 0.919 38.491 38.000 -0.714 0.000 1.404 236 I HN 0.570 nan 8.210 nan 0.000 0.496 237 E N 7.425 127.493 120.200 -0.220 0.000 2.248 237 E HA 0.519 4.869 4.350 -0.000 0.000 0.267 237 E C -1.787 174.737 176.600 -0.127 0.000 0.877 237 E CA -0.608 55.660 56.400 -0.222 0.000 0.759 237 E CB 2.084 31.688 29.700 -0.160 0.000 1.182 237 E HN 0.580 nan 8.360 nan 0.000 0.418 238 Y N -1.755 118.458 120.300 -0.145 0.000 2.609 238 Y HA 0.551 5.101 4.550 -0.000 0.000 0.336 238 Y C -0.707 175.130 175.900 -0.105 0.000 1.129 238 Y CA -1.258 56.766 58.100 -0.126 0.000 1.040 238 Y CB 0.916 39.306 38.460 -0.117 0.000 1.310 238 Y HN 0.213 nan 8.280 nan 0.000 0.460 239 S N 1.942 117.658 115.700 0.027 0.000 2.584 239 S HA 0.475 4.945 4.470 -0.000 0.000 0.273 239 S C -1.402 173.105 174.600 -0.154 0.000 1.311 239 S CA -0.371 57.711 58.200 -0.196 0.000 1.034 239 S CB 0.505 63.431 63.200 -0.457 0.000 0.939 239 S HN 0.538 nan 8.310 nan 0.000 0.513 240 F N 2.161 121.882 119.950 -0.381 0.000 2.507 240 F HA 0.424 4.951 4.527 -0.000 0.000 0.328 240 F C -0.299 175.283 175.800 -0.364 0.000 1.136 240 F CA -0.900 56.970 58.000 -0.217 0.000 0.930 240 F CB 0.802 39.784 39.000 -0.031 0.000 1.166 240 F HN 0.642 nan 8.300 nan 0.000 0.436 241 Y N 2.770 122.881 120.300 -0.314 0.000 2.420 241 Y HA 0.101 4.651 4.550 -0.000 0.000 0.292 241 Y C 1.737 177.572 175.900 -0.107 0.000 1.119 241 Y CA 1.091 59.088 58.100 -0.173 0.000 1.229 241 Y CB -0.628 37.715 38.460 -0.195 0.000 1.026 241 Y HN 0.737 nan 8.280 nan 0.000 0.554 242 S N -0.195 115.431 115.700 -0.123 0.000 3.307 242 S HA -0.229 4.241 4.470 -0.000 0.000 0.634 242 S C -0.451 174.198 174.600 0.081 0.000 2.711 242 S CA 0.345 58.621 58.200 0.126 0.000 2.940 242 S CB -1.121 62.250 63.200 0.284 0.000 0.331 242 S HN 0.470 nan 8.310 nan 0.000 1.766 243 D N 1.582 122.046 120.400 0.107 0.000 2.400 243 D HA 0.130 4.770 4.640 -0.000 0.000 0.238 243 D C 1.399 177.733 176.300 0.056 0.000 1.157 243 D CA 0.482 54.525 54.000 0.071 0.000 0.889 243 D CB 0.246 41.089 40.800 0.071 0.000 1.199 243 D HN 0.650 nan 8.370 nan 0.000 0.436 244 E N 0.775 120.996 120.200 0.036 0.000 2.187 244 E HA -0.268 4.081 4.350 -0.000 0.000 0.199 244 E C 1.595 178.210 176.600 0.025 0.000 1.004 244 E CA 1.642 58.055 56.400 0.022 0.000 0.813 244 E CB 0.136 29.843 29.700 0.011 0.000 0.736 244 E HN 0.463 nan 8.360 nan 0.000 0.468 245 S N 0.262 115.982 115.700 0.034 0.000 2.419 245 S HA -0.109 4.360 4.470 -0.000 0.000 0.233 245 S C 1.216 175.843 174.600 0.044 0.000 1.016 245 S CA 0.124 58.344 58.200 0.034 0.000 0.974 245 S CB -0.303 62.919 63.200 0.037 0.000 0.786 245 S HN 0.298 nan 8.310 nan 0.000 0.492 246 L N 2.470 123.728 121.223 0.059 0.000 2.562 246 L HA 0.080 4.420 4.340 -0.000 0.000 0.271 246 L C 1.618 178.524 176.870 0.060 0.000 1.167 246 L CA 0.180 55.065 54.840 0.076 0.000 0.917 246 L CB 0.729 42.847 42.059 0.098 0.000 1.187 246 L HN 0.476 nan 8.230 nan 0.000 0.482 247 Q N 4.049 123.891 119.800 0.070 0.000 2.083 247 Q HA -0.097 4.243 4.340 -0.000 0.000 0.198 247 Q C -0.587 175.344 176.000 -0.116 0.000 0.969 247 Q CA 1.330 57.126 55.803 -0.011 0.000 0.838 247 Q CB 0.226 28.988 28.738 0.039 0.000 0.900 247 Q HN 0.594 nan 8.270 nan 0.000 0.436 248 Y N 0.479 120.788 120.300 0.015 0.000 2.335 248 Y HA 0.373 4.923 4.550 -0.000 0.000 0.338 248 Y C -2.069 173.829 175.900 -0.002 0.000 0.977 248 Y CA -2.971 55.133 58.100 0.005 0.000 1.114 248 Y CB 1.291 39.747 38.460 -0.007 0.000 1.182 248 Y HN 0.124 nan 8.280 nan 0.000 0.463 249 P HA 0.062 nan 4.420 nan 0.000 0.269 249 P C -0.990 176.303 177.300 -0.012 0.000 1.209 249 P CA -0.448 62.639 63.100 -0.023 0.000 0.776 249 P CB 0.520 32.124 31.700 -0.161 0.000 0.876 250 K N 0.129 120.512 120.400 -0.027 0.000 2.123 250 K HA 0.559 4.879 4.320 -0.000 0.000 0.259 250 K C -0.813 175.741 176.600 -0.077 0.000 0.960 250 K CA -0.675 55.597 56.287 -0.023 0.000 0.872 250 K CB 0.684 33.188 32.500 0.007 0.000 1.079 250 K HN 0.174 nan 8.250 nan 0.000 0.440 251 T N 2.007 116.501 114.554 -0.099 0.000 2.744 251 T HA 0.206 4.555 4.350 -0.000 0.000 0.291 251 T C -0.239 174.338 174.700 -0.205 0.000 0.957 251 T CA -0.681 61.328 62.100 -0.152 0.000 1.002 251 T CB 0.928 69.718 68.868 -0.129 0.000 0.919 251 T HN 0.363 nan 8.240 nan 0.000 0.468 252 V N 6.111 125.813 119.914 -0.353 0.000 2.465 252 V HA 0.539 4.659 4.120 -0.000 0.000 0.279 252 V C 0.396 176.190 176.094 -0.500 0.000 1.045 252 V CA -0.680 61.348 62.300 -0.454 0.000 0.938 252 V CB 0.695 32.097 31.823 -0.702 0.000 0.986 252 V HN 0.807 nan 8.190 nan 0.000 0.467 253 R N 4.232 124.573 120.500 -0.266 0.000 2.538 253 R HA 0.802 5.142 4.340 -0.000 0.000 0.292 253 R C -1.685 174.583 176.300 -0.054 0.000 1.008 253 R CA -0.586 55.401 56.100 -0.187 0.000 0.896 253 R CB 1.822 32.046 30.300 -0.126 0.000 1.187 253 R HN 0.549 nan 8.270 nan 0.000 0.440 254 V N 0.500 120.392 119.914 -0.036 0.000 2.841 254 V HA 0.594 4.714 4.120 -0.000 0.000 0.310 254 V C -2.880 173.262 176.094 0.079 0.000 1.090 254 V CA -2.509 59.844 62.300 0.089 0.000 0.930 254 V CB 2.619 34.531 31.823 0.148 0.000 1.014 254 V HN 0.617 nan 8.190 nan 0.000 0.425 255 P HA 0.225 nan 4.420 nan 0.000 0.264 255 P C -1.710 175.694 177.300 0.173 0.000 1.229 255 P CA 0.666 63.870 63.100 0.174 0.000 0.780 255 P CB -0.428 31.419 31.700 0.244 0.000 0.808 256 Y N 6.703 126.979 120.300 -0.040 0.000 2.315 256 Y HA 0.385 4.935 4.550 -0.000 0.000 0.324 256 Y C -2.672 173.205 175.900 -0.039 0.000 1.062 256 Y CA -2.908 55.123 58.100 -0.115 0.000 1.159 256 Y CB 1.816 40.094 38.460 -0.303 0.000 1.145 256 Y HN 0.280 nan 8.280 nan 0.000 0.442 257 P HA 0.232 nan 4.420 nan 0.000 0.287 257 P C -0.958 176.385 177.300 0.072 0.000 1.307 257 P CA -0.188 62.948 63.100 0.059 0.000 0.777 257 P CB 1.353 33.068 31.700 0.025 0.000 0.883 258 K N 2.079 122.602 120.400 0.205 0.000 2.102 258 K HA 0.495 4.814 4.320 -0.000 0.000 0.244 258 K C 0.539 177.232 176.600 0.156 0.000 1.021 258 K CA -0.735 55.695 56.287 0.238 0.000 0.913 258 K CB 0.615 33.272 32.500 0.262 0.000 1.062 258 K HN 0.454 nan 8.250 nan 0.000 0.485 259 A N 0.833 123.768 122.820 0.192 0.000 2.573 259 A HA 0.237 4.557 4.320 -0.000 0.000 0.250 259 A C 1.194 178.806 177.584 0.047 0.000 1.049 259 A CA 1.111 53.243 52.037 0.159 0.000 0.767 259 A CB -1.281 17.886 19.000 0.278 0.000 0.965 259 A HN 0.919 nan 8.150 nan 0.000 0.514 260 G N 0.943 109.762 108.800 0.031 0.000 2.179 260 G HA2 0.107 4.067 3.960 -0.000 0.000 0.260 260 G HA3 0.107 4.067 3.960 -0.000 0.000 0.260 260 G C 0.665 175.574 174.900 0.014 0.000 0.977 260 G CA 0.790 45.885 45.100 -0.009 0.000 0.641 260 G HN 2.187 nan 8.290 nan 0.000 0.533 261 A N -0.396 122.449 122.820 0.043 0.000 2.249 261 A HA 0.758 5.078 4.320 -0.000 0.000 0.281 261 A C 0.849 178.463 177.584 0.051 0.000 1.127 261 A CA 0.268 52.335 52.037 0.050 0.000 0.833 261 A CB 0.696 19.740 19.000 0.074 0.000 1.140 261 A HN 1.158 nan 8.150 nan 0.000 0.502 262 V N 2.529 122.475 119.914 0.053 0.000 2.493 262 V HA 0.005 4.125 4.120 -0.000 0.000 0.292 262 V C 0.342 176.481 176.094 0.074 0.000 1.016 262 V CA 0.006 62.340 62.300 0.056 0.000 1.097 262 V CB -0.496 31.361 31.823 0.058 0.000 0.947 262 V HN 0.777 nan 8.190 nan 0.000 0.479 263 N N 6.627 125.370 118.700 0.073 0.000 2.463 263 N HA 0.465 5.205 4.740 -0.000 0.000 0.270 263 N C -2.321 173.270 175.510 0.134 0.000 1.205 263 N CA -1.453 51.660 53.050 0.105 0.000 0.974 263 N CB 1.061 39.609 38.487 0.102 0.000 1.197 263 N HN 0.406 nan 8.380 nan 0.000 0.504 264 P HA 0.142 nan 4.420 nan 0.000 0.277 264 P C -0.538 176.922 177.300 0.267 0.000 1.240 264 P CA -0.251 62.998 63.100 0.248 0.000 0.798 264 P CB 0.558 32.443 31.700 0.307 0.000 0.979 265 T N -1.184 113.505 114.554 0.225 0.000 2.927 265 T HA 0.561 4.911 4.350 -0.000 0.000 0.281 265 T C -0.150 174.684 174.700 0.223 0.000 0.998 265 T CA -0.782 61.416 62.100 0.164 0.000 1.019 265 T CB 1.403 70.337 68.868 0.109 0.000 1.061 265 T HN 0.338 nan 8.240 nan 0.000 0.518 266 V N 0.345 120.356 119.914 0.162 0.000 2.925 266 V HA 0.739 4.859 4.120 -0.000 0.000 0.311 266 V C -1.484 174.679 176.094 0.115 0.000 1.104 266 V CA -0.878 61.484 62.300 0.104 0.000 0.954 266 V CB 2.132 34.060 31.823 0.176 0.000 1.022 266 V HN 1.051 nan 8.190 nan 0.000 0.427 267 K N 4.189 124.589 120.400 0.001 0.000 2.435 267 K HA 0.599 4.919 4.320 -0.000 0.000 0.251 267 K C -1.953 174.564 176.600 -0.138 0.000 0.954 267 K CA -0.512 55.744 56.287 -0.052 0.000 0.820 267 K CB 2.786 35.227 32.500 -0.098 0.000 1.292 267 K HN 0.547 nan 8.250 nan 0.000 0.436 268 F N 2.019 121.678 119.950 -0.485 0.000 2.540 268 F HA 0.584 5.111 4.527 -0.000 0.000 0.317 268 F C -1.471 173.817 175.800 -0.854 0.000 1.104 268 F CA -0.654 57.052 58.000 -0.490 0.000 0.913 268 F CB 0.918 39.762 39.000 -0.261 0.000 1.170 268 F HN 0.393 nan 8.300 nan 0.000 0.450 269 F N 3.441 122.673 119.950 -1.197 0.000 2.629 269 F HA 0.793 5.320 4.527 -0.000 0.000 0.316 269 F C -1.018 174.169 175.800 -1.022 0.000 1.081 269 F CA -1.229 56.200 58.000 -0.952 0.000 0.954 269 F CB 2.051 40.434 39.000 -1.029 0.000 1.337 269 F HN 0.135 nan 8.300 nan 0.000 0.474 270 V N 2.059 121.791 119.914 -0.304 0.000 2.668 270 V HA 0.623 4.743 4.120 -0.000 0.000 0.304 270 V C -1.321 174.857 176.094 0.140 0.000 1.071 270 V CA -0.786 61.396 62.300 -0.195 0.000 0.894 270 V CB 1.957 33.433 31.823 -0.577 0.000 1.008 270 V HN 0.635 nan 8.190 nan 0.000 0.425 271 V N 4.336 124.400 119.914 0.249 0.000 2.680 271 V HA 0.559 4.679 4.120 -0.000 0.000 0.309 271 V C -0.250 176.054 176.094 0.349 0.000 1.052 271 V CA -0.603 61.866 62.300 0.281 0.000 0.908 271 V CB 2.040 33.963 31.823 0.167 0.000 1.001 271 V HN 1.006 nan 8.190 nan 0.000 0.431 272 N N 3.100 121.977 118.700 0.295 0.000 2.406 272 N HA 0.172 4.912 4.740 -0.000 0.000 0.251 272 N C 1.074 176.573 175.510 -0.019 0.000 1.069 272 N CA 0.312 53.410 53.050 0.080 0.000 0.947 272 N CB 1.150 39.651 38.487 0.024 0.000 1.111 272 N HN 0.901 nan 8.380 nan 0.000 0.497 273 T N -0.216 114.322 114.554 -0.027 0.000 3.160 273 T HA 0.021 4.371 4.350 -0.000 0.000 0.257 273 T C 0.298 174.962 174.700 -0.059 0.000 1.147 273 T CA 0.434 62.530 62.100 -0.006 0.000 1.064 273 T CB 0.064 69.037 68.868 0.175 0.000 0.949 273 T HN 0.424 nan 8.240 nan 0.000 0.526 274 D N 0.726 121.065 120.400 -0.102 0.000 2.369 274 D HA 0.186 4.826 4.640 -0.000 0.000 0.211 274 D C 0.866 177.112 176.300 -0.090 0.000 1.077 274 D CA 0.097 54.041 54.000 -0.094 0.000 0.842 274 D CB 0.605 41.337 40.800 -0.113 0.000 0.947 274 D HN 0.415 nan 8.370 nan 0.000 0.509 275 S N 0.463 116.104 115.700 -0.098 0.000 2.650 275 S HA 0.167 4.637 4.470 -0.000 0.000 0.240 275 S C 0.807 175.336 174.600 -0.118 0.000 1.007 275 S CA -0.461 57.696 58.200 -0.071 0.000 0.984 275 S CB 0.480 63.670 63.200 -0.017 0.000 0.910 275 S HN 0.252 nan 8.310 nan 0.000 0.509 276 L N 0.737 121.806 121.223 -0.257 0.000 2.326 276 L HA 0.635 4.975 4.340 -0.000 0.000 0.278 276 L C 0.750 177.390 176.870 -0.384 0.000 1.092 276 L CA -0.481 54.098 54.840 -0.435 0.000 0.810 276 L CB 0.965 42.493 42.059 -0.884 0.000 1.153 276 L HN 0.151 nan 8.230 nan 0.000 0.439 277 S N 1.702 117.335 115.700 -0.111 0.000 2.612 277 S HA 0.198 4.668 4.470 -0.000 0.000 0.193 277 S C 0.977 175.820 174.600 0.405 0.000 0.898 277 S CA 0.699 58.971 58.200 0.119 0.000 0.872 277 S CB 0.166 63.418 63.200 0.086 0.000 0.843 277 S HN 1.181 nan 8.310 nan 0.000 0.611 278 S N -1.335 114.559 115.700 0.323 0.000 4.147 278 S HA -0.090 4.380 4.470 -0.000 0.000 0.104 278 S C 0.872 175.575 174.600 0.172 0.000 0.835 278 S CA 0.363 58.735 58.200 0.286 0.000 1.039 278 S CB -1.332 61.985 63.200 0.195 0.000 0.602 278 S HN 0.517 nan 8.310 nan 0.000 0.742 279 V N 2.061 122.056 119.914 0.134 0.000 2.795 279 V HA 0.310 4.430 4.120 -0.000 0.000 0.243 279 V C 1.096 177.236 176.094 0.076 0.000 1.069 279 V CA 1.657 64.011 62.300 0.089 0.000 1.089 279 V CB 0.276 32.139 31.823 0.067 0.000 0.756 279 V HN 0.639 nan 8.190 nan 0.000 0.471 280 T N 1.127 115.729 114.554 0.081 0.000 2.895 280 T HA 0.371 4.721 4.350 -0.000 0.000 0.283 280 T C -0.199 174.551 174.700 0.084 0.000 1.014 280 T CA -0.419 61.716 62.100 0.058 0.000 1.037 280 T CB 1.053 69.946 68.868 0.042 0.000 1.006 280 T HN 0.156 nan 8.240 nan 0.000 0.468 281 N N 1.795 120.531 118.700 0.060 0.000 2.520 281 N HA 0.414 5.154 4.740 -0.000 0.000 0.273 281 N C 0.078 175.640 175.510 0.087 0.000 1.155 281 N CA -0.297 52.814 53.050 0.102 0.000 0.967 281 N CB 0.634 39.131 38.487 0.017 0.000 1.092 281 N HN 0.806 nan 8.380 nan 0.000 0.457 282 A N 1.632 124.516 122.820 0.107 0.000 2.520 282 A HA 0.226 4.546 4.320 -0.000 0.000 0.235 282 A C 0.249 177.871 177.584 0.063 0.000 1.065 282 A CA 0.222 52.291 52.037 0.052 0.000 0.764 282 A CB -0.051 18.959 19.000 0.016 0.000 1.002 282 A HN 0.547 nan 8.150 nan 0.000 0.502 283 T N 2.428 117.025 114.554 0.070 0.000 2.767 283 T HA 0.445 4.795 4.350 -0.000 0.000 0.284 283 T C -0.044 174.736 174.700 0.133 0.000 0.973 283 T CA -0.052 62.106 62.100 0.096 0.000 0.996 283 T CB 0.813 69.746 68.868 0.109 0.000 0.927 283 T HN 0.524 nan 8.240 nan 0.000 0.456 284 S N 3.377 119.155 115.700 0.130 0.000 2.448 284 S HA 0.427 4.897 4.470 -0.000 0.000 0.320 284 S C -0.058 174.708 174.600 0.278 0.000 1.071 284 S CA -0.680 57.628 58.200 0.180 0.000 1.113 284 S CB 0.106 63.336 63.200 0.051 0.000 0.972 284 S HN 0.458 nan 8.310 nan 0.000 0.465 285 I N 3.292 124.034 120.570 0.287 0.000 2.416 285 I HA 0.205 4.375 4.170 -0.000 0.000 0.288 285 I C 0.617 176.859 176.117 0.209 0.000 1.051 285 I CA 0.128 61.600 61.300 0.287 0.000 1.375 285 I CB 0.725 38.961 38.000 0.394 0.000 1.407 285 I HN 0.564 nan 8.210 nan 0.000 0.516 286 Q N 6.185 126.068 119.800 0.139 0.000 2.261 286 Q HA 0.513 4.853 4.340 -0.000 0.000 0.252 286 Q C -1.002 174.939 176.000 -0.098 0.000 0.915 286 Q CA -0.508 55.185 55.803 -0.183 0.000 0.915 286 Q CB 1.030 29.577 28.738 -0.318 0.000 1.204 286 Q HN 0.553 nan 8.270 nan 0.000 0.421 287 I N 4.208 124.708 120.570 -0.116 0.000 2.328 287 I HA 0.188 4.358 4.170 -0.000 0.000 0.287 287 I C 0.775 176.882 176.117 -0.017 0.000 1.012 287 I CA -0.398 60.905 61.300 0.005 0.000 1.195 287 I CB 1.358 39.406 38.000 0.079 0.000 1.350 287 I HN 0.760 nan 8.210 nan 0.000 0.464 288 T N 3.286 117.792 114.554 -0.081 0.000 2.990 288 T HA 0.795 5.145 4.350 -0.000 0.000 0.296 288 T C 0.848 175.355 174.700 -0.322 0.000 1.189 288 T CA 0.234 62.230 62.100 -0.173 0.000 0.938 288 T CB 0.836 69.611 68.868 -0.155 0.000 1.994 288 T HN 0.869 nan 8.240 nan 0.000 0.584 289 A N 0.867 123.449 122.820 -0.397 0.000 6.182 289 A HA -0.034 4.286 4.320 -0.000 0.000 0.285 289 A C -2.456 174.565 177.584 -0.938 0.000 1.979 289 A CA 0.266 52.001 52.037 -0.504 0.000 0.740 289 A CB -2.802 16.009 19.000 -0.314 0.000 1.172 289 A HN 0.864 nan 8.150 nan 0.000 0.388 290 P HA 0.457 nan 4.420 nan 0.000 0.274 290 P C 0.946 178.030 177.300 -0.360 0.000 1.237 290 P CA 0.574 63.422 63.100 -0.421 0.000 0.793 290 P CB 0.627 32.151 31.700 -0.294 0.000 0.977 291 A N 1.738 124.418 122.820 -0.234 0.000 1.908 291 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 291 A C 2.075 179.545 177.584 -0.190 0.000 1.181 291 A CA 2.397 54.316 52.037 -0.195 0.000 0.627 291 A CB -1.906 17.014 19.000 -0.134 0.000 0.818 291 A HN 0.618 nan 8.150 nan 0.000 0.445 292 S N -1.838 113.772 115.700 -0.151 0.000 2.500 292 S HA -0.087 4.383 4.470 -0.000 0.000 0.239 292 S C 1.644 176.149 174.600 -0.158 0.000 0.989 292 S CA 1.754 59.878 58.200 -0.127 0.000 0.951 292 S CB -0.250 62.945 63.200 -0.009 0.000 0.759 292 S HN 0.437 nan 8.310 nan 0.000 0.523 293 M N 0.359 119.809 119.600 -0.250 0.000 2.730 293 M HA 0.473 4.953 4.480 -0.000 0.000 0.258 293 M C 1.590 177.568 176.300 -0.538 0.000 1.279 293 M CA 0.651 55.740 55.300 -0.351 0.000 1.183 293 M CB -0.055 32.270 32.600 -0.459 0.000 1.291 293 M HN 0.201 nan 8.290 nan 0.000 0.518 294 L N 0.811 121.718 121.223 -0.528 0.000 2.353 294 L HA -0.149 4.191 4.340 -0.000 0.000 0.220 294 L C 2.111 178.863 176.870 -0.197 0.000 1.133 294 L CA 0.793 55.390 54.840 -0.405 0.000 0.798 294 L CB -1.008 40.867 42.059 -0.307 0.000 0.922 294 L HN 0.442 nan 8.230 nan 0.000 0.445 295 I N -2.507 117.960 120.570 -0.173 0.000 2.657 295 I HA 0.011 4.181 4.170 -0.000 0.000 0.261 295 I C 1.066 177.145 176.117 -0.064 0.000 1.212 295 I CA 0.946 62.181 61.300 -0.107 0.000 1.453 295 I CB -0.573 37.359 38.000 -0.113 0.000 1.092 295 I HN 0.149 nan 8.210 nan 0.000 0.452 296 G N 0.068 108.844 108.800 -0.040 0.000 2.570 296 G HA2 0.232 4.191 3.960 -0.000 0.000 0.310 296 G HA3 0.232 4.191 3.960 -0.000 0.000 0.310 296 G C -1.795 173.174 174.900 0.116 0.000 1.266 296 G CA -0.580 44.528 45.100 0.013 0.000 0.825 296 G HN 0.055 nan 8.290 nan 0.000 0.483 297 D N 1.291 121.719 120.400 0.046 0.000 2.449 297 D HA 0.441 5.081 4.640 -0.000 0.000 0.236 297 D C 0.405 176.697 176.300 -0.015 0.000 1.149 297 D CA 0.872 54.859 54.000 -0.022 0.000 0.878 297 D CB 0.403 41.132 40.800 -0.119 0.000 1.198 297 D HN 0.576 nan 8.370 nan 0.000 0.446 298 H N -1.079 117.836 119.070 -0.259 0.000 2.902 298 H HA 0.421 4.977 4.556 -0.000 0.000 0.297 298 H C -1.443 173.736 175.328 -0.248 0.000 1.406 298 H CA -0.782 55.116 56.048 -0.250 0.000 1.134 298 H CB 0.221 29.982 29.762 -0.002 0.000 1.833 298 H HN 0.329 nan 8.280 nan 0.000 0.527 299 Y N -0.224 120.263 120.300 0.312 0.000 2.609 299 Y HA 0.462 5.012 4.550 -0.000 0.000 0.342 299 Y C -0.577 175.549 175.900 0.377 0.000 1.058 299 Y CA -1.163 57.119 58.100 0.302 0.000 1.055 299 Y CB 1.909 40.409 38.460 0.066 0.000 1.292 299 Y HN 0.502 nan 8.280 nan 0.000 0.476 300 L N 2.511 124.026 121.223 0.487 0.000 2.265 300 L HA 0.458 4.798 4.340 -0.000 0.000 0.289 300 L C 0.261 177.130 176.870 -0.001 0.000 1.033 300 L CA -0.370 54.431 54.840 -0.065 0.000 0.814 300 L CB 0.505 42.466 42.059 -0.163 0.000 1.203 300 L HN 0.967 nan 8.230 nan 0.000 0.423 301 C N 1.246 120.425 119.300 -0.202 0.000 3.228 301 C HA 0.536 4.996 4.460 -0.000 0.000 0.290 301 C C 0.210 175.022 174.990 -0.297 0.000 1.301 301 C CA -0.406 58.419 59.018 -0.320 0.000 1.703 301 C CB -0.819 26.808 27.740 -0.188 0.000 2.141 301 C HN 0.853 nan 8.230 nan 0.000 0.656 302 D N -0.202 120.049 120.400 -0.248 0.000 2.706 302 D HA 0.353 4.993 4.640 -0.000 0.000 0.227 302 D C -1.899 174.121 176.300 -0.467 0.000 1.233 302 D CA 0.087 53.960 54.000 -0.211 0.000 0.768 302 D CB 2.472 43.151 40.800 -0.201 0.000 1.490 302 D HN 0.301 nan 8.370 nan 0.000 0.458 303 V N 1.742 121.314 119.914 -0.571 0.000 2.610 303 V HA 0.686 4.806 4.120 -0.000 0.000 0.298 303 V C -1.706 173.993 176.094 -0.659 0.000 1.067 303 V CA 0.047 61.823 62.300 -0.874 0.000 0.894 303 V CB 1.734 32.680 31.823 -1.460 0.000 1.015 303 V HN 0.598 nan 8.190 nan 0.000 0.432 304 T N 6.518 120.786 114.554 -0.478 0.000 2.937 304 T HA 0.436 4.786 4.350 -0.000 0.000 0.297 304 T C -0.959 173.605 174.700 -0.227 0.000 0.991 304 T CA -0.154 61.815 62.100 -0.217 0.000 0.990 304 T CB 1.006 69.829 68.868 -0.074 0.000 0.991 304 T HN 0.745 nan 8.240 nan 0.000 0.440 305 W N 2.123 123.368 121.300 -0.091 0.000 2.216 305 W HA 0.462 5.122 4.660 -0.000 0.000 0.326 305 W C 1.140 177.530 176.519 -0.216 0.000 1.319 305 W CA -0.316 56.966 57.345 -0.105 0.000 1.213 305 W CB 0.563 30.045 29.460 0.037 0.000 1.171 305 W HN 0.857 nan 8.180 nan 0.000 0.557 306 A N 2.131 124.817 122.820 -0.223 0.000 1.920 306 A HA 0.201 4.521 4.320 -0.000 0.000 0.209 306 A C 0.892 178.420 177.584 -0.093 0.000 1.229 306 A CA 1.540 53.189 52.037 -0.648 0.000 0.671 306 A CB -0.341 17.834 19.000 -1.375 0.000 0.886 306 A HN 0.532 nan 8.150 nan 0.000 0.461 307 T N -5.582 109.034 114.554 0.104 0.000 2.647 307 T HA 0.333 4.683 4.350 -0.000 0.000 0.295 307 T C 0.098 174.974 174.700 0.292 0.000 1.126 307 T CA -0.397 61.812 62.100 0.182 0.000 1.040 307 T CB 0.607 69.565 68.868 0.149 0.000 1.472 307 T HN -0.041 nan 8.240 nan 0.000 0.500 308 Q N 0.282 120.220 119.800 0.229 0.000 2.291 308 Q HA 0.043 4.383 4.340 -0.000 0.000 0.205 308 Q C 0.697 176.957 176.000 0.433 0.000 0.970 308 Q CA 1.380 57.325 55.803 0.237 0.000 0.876 308 Q CB -0.088 28.751 28.738 0.168 0.000 0.935 308 Q HN 0.812 nan 8.270 nan 0.000 0.455 309 E N -0.297 120.163 120.200 0.433 0.000 2.921 309 E HA 0.199 4.549 4.350 -0.000 0.000 0.203 309 E C -0.299 176.586 176.600 0.475 0.000 0.975 309 E CA -0.149 56.533 56.400 0.471 0.000 1.225 309 E CB 1.109 30.988 29.700 0.299 0.000 1.048 309 E HN -0.051 nan 8.360 nan 0.000 0.477 310 R N 1.647 122.438 120.500 0.484 0.000 2.538 310 R HA 0.540 4.880 4.340 -0.000 0.000 0.292 310 R C -1.748 174.594 176.300 0.071 0.000 1.008 310 R CA -0.484 55.773 56.100 0.262 0.000 0.896 310 R CB 1.437 31.776 30.300 0.066 0.000 1.187 310 R HN 0.107 nan 8.270 nan 0.000 0.440 311 I N 2.989 123.432 120.570 -0.212 0.000 2.582 311 I HA 0.382 4.552 4.170 -0.000 0.000 0.292 311 I C -0.852 174.959 176.117 -0.509 0.000 1.066 311 I CA -0.486 60.407 61.300 -0.678 0.000 1.053 311 I CB 2.268 39.416 38.000 -1.420 0.000 1.241 311 I HN 0.808 nan 8.210 nan 0.000 0.421 312 S N 7.406 122.803 115.700 -0.505 0.000 2.475 312 S HA 0.764 5.234 4.470 -0.000 0.000 0.298 312 S C -1.009 173.302 174.600 -0.481 0.000 1.119 312 S CA -0.705 57.286 58.200 -0.350 0.000 1.085 312 S CB 1.806 64.924 63.200 -0.137 0.000 1.028 312 S HN 0.439 nan 8.310 nan 0.000 0.489 313 L N 2.007 122.973 121.223 -0.428 0.000 2.381 313 L HA 0.558 4.897 4.340 -0.000 0.000 0.268 313 L C -0.328 176.290 176.870 -0.421 0.000 0.997 313 L CA -0.212 54.277 54.840 -0.585 0.000 0.818 313 L CB 1.985 43.661 42.059 -0.638 0.000 1.310 313 L HN 0.848 nan 8.230 nan 0.000 0.416 314 Q N 1.875 121.352 119.800 -0.539 0.000 2.330 314 Q HA 0.446 4.786 4.340 -0.000 0.000 0.269 314 Q C -1.708 174.049 176.000 -0.404 0.000 1.022 314 Q CA -0.489 55.122 55.803 -0.320 0.000 0.796 314 Q CB 2.086 30.678 28.738 -0.242 0.000 1.271 314 Q HN 0.502 nan 8.270 nan 0.000 0.450 315 W N 2.537 123.797 121.300 -0.066 0.000 2.639 315 W HA 0.662 5.322 4.660 -0.000 0.000 0.347 315 W C -0.844 175.711 176.519 0.061 0.000 1.067 315 W CA -0.656 56.703 57.345 0.023 0.000 1.218 315 W CB 1.046 30.518 29.460 0.020 0.000 1.393 315 W HN 0.384 nan 8.180 nan 0.000 0.557 316 L N 2.064 123.515 121.223 0.381 0.000 2.436 316 L HA 0.568 4.908 4.340 -0.000 0.000 0.268 316 L C -0.227 176.829 176.870 0.309 0.000 0.974 316 L CA -1.151 53.868 54.840 0.299 0.000 0.826 316 L CB 1.466 43.675 42.059 0.251 0.000 1.291 316 L HN 0.429 nan 8.230 nan 0.000 0.406 317 R N 2.211 122.853 120.500 0.237 0.000 2.679 317 R HA 0.264 4.604 4.340 -0.000 0.000 0.269 317 R C 1.031 177.370 176.300 0.064 0.000 1.076 317 R CA -0.099 56.082 56.100 0.136 0.000 1.160 317 R CB 0.554 30.923 30.300 0.115 0.000 1.054 317 R HN 0.654 nan 8.270 nan 0.000 0.507 318 R N 1.156 121.604 120.500 -0.087 0.000 2.105 318 R HA -0.073 4.267 4.340 -0.000 0.000 0.239 318 R C 0.392 176.732 176.300 0.066 0.000 1.135 318 R CA 1.153 57.185 56.100 -0.113 0.000 0.967 318 R CB 0.163 30.372 30.300 -0.151 0.000 0.861 318 R HN 0.384 nan 8.270 nan 0.000 0.442 319 I N 3.043 123.642 120.570 0.048 0.000 2.243 319 I HA 0.003 4.173 4.170 -0.000 0.000 0.297 319 I C 0.113 176.284 176.117 0.091 0.000 1.161 319 I CA 0.365 61.699 61.300 0.057 0.000 1.298 319 I CB 0.590 38.612 38.000 0.037 0.000 1.475 319 I HN 0.271 nan 8.210 nan 0.000 0.561 320 Q N 3.223 123.081 119.800 0.097 0.000 2.088 320 Q HA -0.100 4.240 4.340 -0.000 0.000 0.155 320 Q C 1.007 177.080 176.000 0.123 0.000 0.759 320 Q CA 0.106 55.979 55.803 0.115 0.000 1.051 320 Q CB -0.170 28.601 28.738 0.054 0.000 1.253 320 Q HN 0.459 nan 8.270 nan 0.000 0.397 321 N N -0.523 118.253 118.700 0.126 0.000 2.387 321 N HA -0.033 4.707 4.740 -0.000 0.000 0.176 321 N C -0.854 174.761 175.510 0.174 0.000 1.022 321 N CA 0.589 53.711 53.050 0.120 0.000 0.883 321 N CB 0.485 39.036 38.487 0.105 0.000 1.019 321 N HN 0.305 nan 8.380 nan 0.000 0.435 322 Y N 0.677 121.001 120.300 0.040 0.000 2.361 322 Y HA 0.442 4.992 4.550 -0.000 0.000 0.337 322 Y C -0.755 175.181 175.900 0.060 0.000 0.965 322 Y CA -1.101 57.022 58.100 0.040 0.000 1.091 322 Y CB 1.234 39.708 38.460 0.023 0.000 1.182 322 Y HN -0.089 nan 8.280 nan 0.000 0.450 323 S N 4.579 120.191 115.700 -0.146 0.000 2.536 323 S HA 0.875 5.345 4.470 -0.000 0.000 0.287 323 S C -1.845 172.646 174.600 -0.181 0.000 1.101 323 S CA -0.739 57.433 58.200 -0.048 0.000 0.950 323 S CB 1.679 64.873 63.200 -0.009 0.000 1.056 323 S HN 0.444 nan 8.310 nan 0.000 0.481 324 V N 3.778 123.691 119.914 -0.002 0.000 2.540 324 V HA 0.546 4.666 4.120 -0.000 0.000 0.302 324 V C -0.320 175.818 176.094 0.073 0.000 1.035 324 V CA -0.711 61.589 62.300 -0.000 0.000 0.873 324 V CB 1.806 33.667 31.823 0.063 0.000 0.992 324 V HN 1.041 nan 8.190 nan 0.000 0.428 325 M N 3.855 123.468 119.600 0.023 0.000 2.180 325 M HA 0.527 5.007 4.480 -0.000 0.000 0.350 325 M C -1.342 174.982 176.300 0.041 0.000 1.125 325 M CA -0.260 55.038 55.300 -0.003 0.000 1.031 325 M CB 1.159 33.709 32.600 -0.083 0.000 1.623 325 M HN 0.595 nan 8.290 nan 0.000 0.451 326 D N 5.176 125.594 120.400 0.030 0.000 2.185 326 D HA 0.530 5.170 4.640 -0.000 0.000 0.247 326 D C -0.987 175.298 176.300 -0.024 0.000 1.027 326 D CA -0.091 53.925 54.000 0.026 0.000 0.861 326 D CB 1.998 42.835 40.800 0.062 0.000 1.202 326 D HN 0.628 nan 8.370 nan 0.000 0.453 327 I N 2.457 123.035 120.570 0.014 0.000 2.420 327 I HA 0.258 4.428 4.170 -0.000 0.000 0.282 327 I C -0.570 175.560 176.117 0.020 0.000 1.019 327 I CA -0.598 60.709 61.300 0.011 0.000 1.130 327 I CB 1.202 39.269 38.000 0.111 0.000 1.262 327 I HN 0.150 nan 8.210 nan 0.000 0.454 328 c N 3.859 122.460 118.600 0.001 0.000 2.382 328 c HA 0.544 5.114 4.570 -0.000 0.000 0.327 328 c C -0.156 174.080 174.090 0.244 0.000 1.250 328 c CA -0.722 55.672 56.329 0.109 0.000 1.707 328 c CB 0.932 43.510 42.510 0.113 0.000 2.272 328 c HN 0.573 nan 8.230 nan 0.000 0.506 329 D N 0.328 120.855 120.400 0.212 0.000 2.252 329 D HA 0.322 4.962 4.640 -0.000 0.000 0.245 329 D C -0.599 175.668 176.300 -0.056 0.000 1.009 329 D CA -0.240 53.847 54.000 0.145 0.000 0.870 329 D CB 0.832 41.663 40.800 0.052 0.000 1.251 329 D HN 0.571 nan 8.370 nan 0.000 0.460 330 Y N 1.293 121.225 120.300 -0.615 0.000 2.359 330 Y HA 0.166 4.716 4.550 -0.000 0.000 0.330 330 Y C 0.040 175.635 175.900 -0.508 0.000 1.143 330 Y CA -0.153 57.236 58.100 -1.184 0.000 1.318 330 Y CB 0.747 38.366 38.460 -1.402 0.000 1.234 330 Y HN 0.172 nan 8.280 nan 0.000 0.522 331 D N 5.398 125.167 120.400 -1.052 0.000 2.479 331 D HA 0.062 4.702 4.640 -0.000 0.000 0.218 331 D C 0.928 176.648 176.300 -0.966 0.000 1.131 331 D CA -0.006 53.559 54.000 -0.726 0.000 0.916 331 D CB 0.672 41.212 40.800 -0.434 0.000 1.022 331 D HN 0.854 nan 8.370 nan 0.000 0.515 332 E N 1.693 121.484 120.200 -0.681 0.000 2.132 332 E HA -0.217 4.133 4.350 -0.000 0.000 0.218 332 E C 0.253 176.689 176.600 -0.275 0.000 1.058 332 E CA 1.531 57.699 56.400 -0.387 0.000 0.882 332 E CB 0.086 29.712 29.700 -0.124 0.000 0.774 332 E HN 0.177 nan 8.360 nan 0.000 0.467 333 S N -0.760 114.816 115.700 -0.207 0.000 3.208 333 S HA 0.341 4.811 4.470 -0.000 0.000 0.195 333 S C -0.260 174.260 174.600 -0.132 0.000 1.394 333 S CA 0.062 58.188 58.200 -0.124 0.000 1.127 333 S CB 0.679 63.834 63.200 -0.075 0.000 1.282 333 S HN 0.172 nan 8.310 nan 0.000 0.513 334 S N -0.286 115.311 115.700 -0.172 0.000 2.126 334 S HA 0.288 4.758 4.470 -0.000 0.000 0.242 334 S C 1.372 175.915 174.600 -0.095 0.000 0.898 334 S CA 0.070 58.194 58.200 -0.127 0.000 1.395 334 S CB 0.017 63.124 63.200 -0.155 0.000 0.966 334 S HN 0.714 nan 8.310 nan 0.000 0.435 335 G N 2.114 110.802 108.800 -0.187 0.000 2.320 335 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.242 335 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.242 335 G C 0.037 175.007 174.900 0.115 0.000 1.033 335 G CA 0.523 45.653 45.100 0.049 0.000 0.620 335 G HN 0.597 nan 8.290 nan 0.000 0.517 336 R N -0.570 119.918 120.500 -0.020 0.000 2.583 336 R HA 0.627 4.967 4.340 -0.000 0.000 0.268 336 R C -0.670 175.604 176.300 -0.043 0.000 1.101 336 R CA -0.481 55.670 56.100 0.085 0.000 1.180 336 R CB 0.321 30.666 30.300 0.074 0.000 1.128 336 R HN 0.257 nan 8.270 nan 0.000 0.568 337 W N 0.284 121.626 121.300 0.070 0.000 2.429 337 W HA 0.419 5.079 4.660 -0.000 0.000 0.314 337 W C -0.721 175.798 176.519 -0.000 0.000 1.062 337 W CA -0.467 56.906 57.345 0.048 0.000 1.211 337 W CB 1.152 30.632 29.460 0.032 0.000 1.305 337 W HN 0.496 nan 8.180 nan 0.000 0.476 338 N N 2.018 120.807 118.700 0.148 0.000 2.321 338 N HA 0.512 5.252 4.740 -0.000 0.000 0.299 338 N C -1.517 174.041 175.510 0.080 0.000 1.048 338 N CA -0.590 52.508 53.050 0.080 0.000 0.836 338 N CB 1.210 39.705 38.487 0.013 0.000 1.269 338 N HN 0.179 nan 8.380 nan 0.000 0.486 339 c N 2.623 121.253 118.600 0.050 0.000 2.242 339 c HA 0.370 4.939 4.570 -0.000 0.000 0.317 339 c C 0.375 174.470 174.090 0.008 0.000 1.087 339 c CA -1.124 55.224 56.329 0.032 0.000 1.535 339 c CB -1.409 41.110 42.510 0.016 0.000 1.893 339 c HN 0.603 nan 8.230 nan 0.000 0.426 340 L N 3.032 124.262 121.223 0.011 0.000 2.584 340 L HA 0.087 4.427 4.340 -0.000 0.000 0.272 340 L C 0.891 177.750 176.870 -0.017 0.000 1.195 340 L CA 0.408 55.246 54.840 -0.003 0.000 0.920 340 L CB 0.152 42.213 42.059 0.004 0.000 1.173 340 L HN 0.562 nan 8.230 nan 0.000 0.489 341 V N 5.500 125.396 119.914 -0.029 0.000 3.432 341 V HA 0.239 4.359 4.120 -0.000 0.000 0.304 341 V C 1.361 177.426 176.094 -0.049 0.000 1.107 341 V CA 0.744 63.019 62.300 -0.043 0.000 1.153 341 V CB 1.112 32.909 31.823 -0.043 0.000 1.072 341 V HN 1.115 nan 8.190 nan 0.000 0.485 342 A N 2.583 125.362 122.820 -0.069 0.000 3.930 342 A HA -0.309 4.011 4.320 -0.000 0.000 0.267 342 A C 1.771 179.289 177.584 -0.110 0.000 0.971 342 A CA 2.050 54.039 52.037 -0.080 0.000 1.197 342 A CB -1.854 17.116 19.000 -0.049 0.000 1.073 342 A HN 1.159 nan 8.150 nan 0.000 0.871 343 R N 0.315 120.759 120.500 -0.093 0.000 2.437 343 R HA 0.168 4.508 4.340 -0.000 0.000 0.257 343 R C 0.624 176.850 176.300 -0.123 0.000 0.927 343 R CA 0.720 56.779 56.100 -0.068 0.000 1.078 343 R CB 0.085 30.397 30.300 0.021 0.000 1.161 343 R HN 0.845 nan 8.270 nan 0.000 0.529 344 Q N -0.028 119.664 119.800 -0.179 0.000 2.222 344 Q HA 0.248 4.588 4.340 -0.000 0.000 0.252 344 Q C -1.323 174.488 176.000 -0.314 0.000 0.926 344 Q CA -0.692 55.036 55.803 -0.125 0.000 0.899 344 Q CB 1.454 30.162 28.738 -0.051 0.000 1.250 344 Q HN 0.179 nan 8.270 nan 0.000 0.441 345 H N 1.114 120.184 119.070 -0.001 0.000 2.489 345 H HA 0.473 5.029 4.556 -0.000 0.000 0.343 345 H C -0.762 174.531 175.328 -0.058 0.000 1.086 345 H CA -0.604 55.445 56.048 0.002 0.000 1.198 345 H CB 1.390 31.162 29.762 0.017 0.000 1.490 345 H HN 0.535 nan 8.280 nan 0.000 0.504 346 I N 2.074 122.652 120.570 0.013 0.000 2.365 346 I HA 0.184 4.354 4.170 -0.000 0.000 0.291 346 I C 0.118 176.163 176.117 -0.119 0.000 1.004 346 I CA -0.108 61.100 61.300 -0.153 0.000 1.311 346 I CB 1.079 38.954 38.000 -0.209 0.000 1.401 346 I HN 0.580 nan 8.210 nan 0.000 0.491 347 E N 8.495 128.575 120.200 -0.199 0.000 2.235 347 E HA 0.460 4.810 4.350 -0.000 0.000 0.252 347 E C -1.098 175.411 176.600 -0.153 0.000 0.886 347 E CA -0.619 55.719 56.400 -0.103 0.000 0.767 347 E CB 1.206 30.877 29.700 -0.047 0.000 1.205 347 E HN 0.604 nan 8.360 nan 0.000 0.421 348 M N 1.121 120.661 119.600 -0.100 0.000 2.755 348 M HA 0.683 5.163 4.480 -0.000 0.000 0.298 348 M C -0.865 175.436 176.300 0.002 0.000 1.251 348 M CA -0.919 54.357 55.300 -0.039 0.000 0.817 348 M CB 2.280 34.897 32.600 0.029 0.000 1.760 348 M HN 0.208 nan 8.290 nan 0.000 0.473 349 S N -0.639 115.070 115.700 0.015 0.000 2.548 349 S HA 0.528 4.998 4.470 -0.000 0.000 0.276 349 S C 0.124 174.721 174.600 -0.005 0.000 1.129 349 S CA -0.026 58.169 58.200 -0.008 0.000 0.931 349 S CB 1.774 64.942 63.200 -0.054 0.000 1.068 349 S HN 0.919 nan 8.310 nan 0.000 0.480 350 T N -0.023 114.529 114.554 -0.003 0.000 3.037 350 T HA 0.073 4.423 4.350 -0.000 0.000 0.251 350 T C 1.567 176.258 174.700 -0.016 0.000 1.079 350 T CA 0.917 63.017 62.100 -0.001 0.000 1.067 350 T CB -0.382 68.490 68.868 0.008 0.000 0.948 350 T HN 0.692 nan 8.240 nan 0.000 0.496 351 T N -1.749 112.794 114.554 -0.019 0.000 3.040 351 T HA 0.575 4.924 4.350 -0.000 0.000 0.252 351 T C 1.225 175.821 174.700 -0.173 0.000 1.064 351 T CA 0.465 62.563 62.100 -0.003 0.000 1.110 351 T CB 0.222 69.153 68.868 0.104 0.000 0.921 351 T HN 0.581 nan 8.240 nan 0.000 0.480 352 G N 0.276 108.802 108.800 -0.456 0.000 2.899 352 G HA2 0.495 4.455 3.960 -0.000 0.000 0.137 352 G HA3 0.495 4.455 3.960 -0.000 0.000 0.137 352 G C -1.543 173.087 174.900 -0.449 0.000 1.198 352 G CA -0.535 44.046 45.100 -0.866 0.000 1.126 352 G HN 0.509 nan 8.290 nan 0.000 0.589 353 W N -0.207 120.805 121.300 -0.481 0.000 2.568 353 W HA 0.774 5.434 4.660 -0.000 0.000 0.396 353 W C -0.539 175.921 176.519 -0.099 0.000 1.554 353 W CA -1.305 55.906 57.345 -0.224 0.000 1.605 353 W CB 0.655 29.964 29.460 -0.252 0.000 1.543 353 W HN 0.271 nan 8.180 nan 0.000 0.692 354 V N 2.779 122.774 119.914 0.135 0.000 2.394 354 V HA 0.726 4.846 4.120 -0.000 0.000 0.282 354 V C 0.691 176.867 176.094 0.136 0.000 1.031 354 V CA 0.244 62.578 62.300 0.058 0.000 0.881 354 V CB -0.007 31.849 31.823 0.054 0.000 0.982 354 V HN 1.305 nan 8.190 nan 0.000 0.451 355 G N 5.069 113.901 108.800 0.052 0.000 2.795 355 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.664 355 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.664 355 G C 0.318 175.317 174.900 0.166 0.000 1.381 355 G CA 0.071 45.232 45.100 0.101 0.000 0.853 355 G HN 0.628 nan 8.290 nan 0.000 0.545 356 R N -0.705 119.886 120.500 0.153 0.000 2.066 356 R HA 0.119 4.459 4.340 -0.000 0.000 0.232 356 R C 1.909 178.225 176.300 0.028 0.000 1.131 356 R CA 2.169 58.328 56.100 0.099 0.000 0.955 356 R CB -0.070 30.294 30.300 0.105 0.000 0.851 356 R HN 0.492 nan 8.270 nan 0.000 0.432 357 F N -1.169 118.935 119.950 0.256 0.000 2.815 357 F HA 0.229 4.756 4.527 -0.000 0.000 0.328 357 F C 0.428 176.265 175.800 0.061 0.000 0.982 357 F CA -0.407 57.688 58.000 0.157 0.000 1.154 357 F CB 0.748 39.833 39.000 0.142 0.000 0.980 357 F HN -0.149 nan 8.300 nan 0.000 0.603 358 R N -0.266 120.378 120.500 0.241 0.000 2.680 358 R HA 0.502 4.842 4.340 -0.000 0.000 0.269 358 R C -3.327 173.030 176.300 0.095 0.000 1.026 358 R CA -1.901 54.258 56.100 0.098 0.000 0.889 358 R CB 0.857 31.167 30.300 0.016 0.000 1.241 358 R HN -0.305 nan 8.270 nan 0.000 0.463 359 P HA -0.046 nan 4.420 nan 0.000 0.265 359 P C -0.214 177.102 177.300 0.027 0.000 1.187 359 P CA 0.148 63.266 63.100 0.029 0.000 0.766 359 P CB 0.708 32.401 31.700 -0.011 0.000 0.820 360 S N 1.499 117.226 115.700 0.045 0.000 2.576 360 S HA 0.060 4.530 4.470 -0.000 0.000 0.272 360 S C 0.096 174.704 174.600 0.013 0.000 1.352 360 S CA -0.596 57.642 58.200 0.065 0.000 1.021 360 S CB 0.248 63.505 63.200 0.095 0.000 0.887 360 S HN 0.591 nan 8.310 nan 0.000 0.542 361 E N 1.854 122.076 120.200 0.037 0.000 2.266 361 E HA 0.475 4.825 4.350 -0.000 0.000 0.277 361 E C -2.580 173.976 176.600 -0.074 0.000 1.018 361 E CA -2.324 54.047 56.400 -0.049 0.000 0.840 361 E CB 0.872 30.551 29.700 -0.036 0.000 1.082 361 E HN 0.477 nan 8.360 nan 0.000 0.395 362 P HA 0.122 nan 4.420 nan 0.000 0.276 362 P C -0.978 176.145 177.300 -0.295 0.000 1.244 362 P CA -0.293 62.629 63.100 -0.296 0.000 0.801 362 P CB 0.737 31.928 31.700 -0.848 0.000 1.006 363 H N 1.166 120.219 119.070 -0.028 0.000 2.953 363 H HA 0.279 4.835 4.556 -0.000 0.000 0.290 363 H C -0.367 175.085 175.328 0.206 0.000 1.113 363 H CA -0.325 55.813 56.048 0.151 0.000 1.454 363 H CB 0.111 29.992 29.762 0.200 0.000 1.525 363 H HN 0.284 nan 8.280 nan 0.000 0.505 364 F N 1.971 122.105 119.950 0.306 0.000 2.418 364 F HA 0.053 4.580 4.527 -0.000 0.000 0.341 364 F C 1.685 177.687 175.800 0.336 0.000 1.120 364 F CA -0.327 57.872 58.000 0.330 0.000 1.232 364 F CB 0.829 39.954 39.000 0.208 0.000 1.175 364 F HN 0.329 nan 8.300 nan 0.000 0.569 365 T N 0.686 115.553 114.554 0.521 0.000 2.813 365 T HA 0.118 4.468 4.350 -0.000 0.000 0.297 365 T C 1.153 176.055 174.700 0.338 0.000 1.036 365 T CA -0.818 61.528 62.100 0.410 0.000 1.044 365 T CB 0.778 69.874 68.868 0.380 0.000 0.993 365 T HN 0.609 nan 8.240 nan 0.000 0.535 366 L N 1.345 122.721 121.223 0.254 0.000 2.010 366 L HA -0.178 4.162 4.340 -0.000 0.000 0.219 366 L C 2.265 179.251 176.870 0.193 0.000 1.077 366 L CA 2.635 57.597 54.840 0.203 0.000 0.773 366 L CB -1.043 41.111 42.059 0.157 0.000 0.892 366 L HN 0.961 nan 8.230 nan 0.000 0.436 367 D N -1.011 119.501 120.400 0.188 0.000 2.378 367 D HA -0.018 4.622 4.640 -0.000 0.000 0.222 367 D C 1.592 178.001 176.300 0.183 0.000 0.980 367 D CA 0.856 54.955 54.000 0.165 0.000 0.907 367 D CB -0.717 40.170 40.800 0.146 0.000 0.899 367 D HN 0.540 nan 8.370 nan 0.000 0.527 368 G N 0.603 109.551 108.800 0.246 0.000 2.179 368 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.257 368 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.257 368 G C 0.556 175.644 174.900 0.313 0.000 1.010 368 G CA 0.499 45.762 45.100 0.271 0.000 0.736 368 G HN 0.532 nan 8.290 nan 0.000 0.513 369 N N -0.508 118.364 118.700 0.286 0.000 2.254 369 N HA 0.336 5.076 4.740 -0.000 0.000 0.190 369 N C 0.625 176.254 175.510 0.199 0.000 1.107 369 N CA 0.514 53.699 53.050 0.224 0.000 0.869 369 N CB 0.555 39.130 38.487 0.147 0.000 0.983 369 N HN 0.636 nan 8.380 nan 0.000 0.487 370 S N -0.074 115.772 115.700 0.243 0.000 2.596 370 S HA 0.721 5.191 4.470 -0.000 0.000 0.270 370 S C -1.279 173.384 174.600 0.106 0.000 1.155 370 S CA -1.034 57.164 58.200 -0.004 0.000 0.827 370 S CB 1.428 64.539 63.200 -0.148 0.000 1.130 370 S HN 0.166 nan 8.310 nan 0.000 0.467 371 F N -1.749 118.027 119.950 -0.289 0.000 2.713 371 F HA 0.835 5.362 4.527 -0.000 0.000 0.311 371 F C -2.325 173.317 175.800 -0.263 0.000 1.141 371 F CA -1.528 56.275 58.000 -0.328 0.000 0.939 371 F CB 0.607 39.022 39.000 -0.975 0.000 1.325 371 F HN 0.590 nan 8.300 nan 0.000 0.453 372 Y N 1.107 121.569 120.300 0.270 0.000 2.393 372 Y HA 0.700 5.250 4.550 -0.000 0.000 0.341 372 Y C -0.592 175.479 175.900 0.284 0.000 0.988 372 Y CA -1.053 57.191 58.100 0.240 0.000 1.078 372 Y CB 2.149 40.698 38.460 0.148 0.000 1.203 372 Y HN 0.729 nan 8.280 nan 0.000 0.453 373 K N 1.258 121.891 120.400 0.388 0.000 2.557 373 K HA 0.631 4.951 4.320 -0.000 0.000 0.261 373 K C -1.842 174.897 176.600 0.232 0.000 0.932 373 K CA -0.671 55.789 56.287 0.288 0.000 0.829 373 K CB 1.490 34.092 32.500 0.170 0.000 1.358 373 K HN 0.591 nan 8.250 nan 0.000 0.430 374 I N 4.418 125.093 120.570 0.176 0.000 2.471 374 I HA 0.284 4.454 4.170 -0.000 0.000 0.286 374 I C 0.290 176.490 176.117 0.138 0.000 1.079 374 I CA -0.384 60.999 61.300 0.137 0.000 1.398 374 I CB 0.092 38.150 38.000 0.096 0.000 1.403 374 I HN 0.666 nan 8.210 nan 0.000 0.530 375 I N 1.791 122.469 120.570 0.180 0.000 3.174 375 I HA 0.511 4.681 4.170 -0.000 0.000 0.313 375 I C -0.371 175.843 176.117 0.162 0.000 1.155 375 I CA -0.822 60.578 61.300 0.167 0.000 0.977 375 I CB 2.169 40.292 38.000 0.205 0.000 1.248 375 I HN 0.339 nan 8.210 nan 0.000 0.453 376 S N 2.300 118.049 115.700 0.082 0.000 2.528 376 S HA 0.271 4.741 4.470 -0.000 0.000 0.277 376 S C 0.134 174.754 174.600 0.034 0.000 1.297 376 S CA -0.322 57.871 58.200 -0.012 0.000 1.052 376 S CB -0.198 62.942 63.200 -0.100 0.000 0.917 376 S HN 0.653 nan 8.310 nan 0.000 0.492 377 N N 2.216 120.847 118.700 -0.115 0.000 2.231 377 N HA -0.001 4.739 4.740 -0.000 0.000 0.223 377 N C 1.076 176.508 175.510 -0.130 0.000 1.329 377 N CA 0.022 52.901 53.050 -0.284 0.000 0.889 377 N CB 0.260 38.570 38.487 -0.295 0.000 1.125 377 N HN 0.787 nan 8.380 nan 0.000 0.447 378 E N 0.308 120.422 120.200 -0.143 0.000 2.285 378 E HA -0.077 4.273 4.350 -0.000 0.000 0.194 378 E C 1.000 177.554 176.600 -0.076 0.000 0.997 378 E CA 1.073 57.435 56.400 -0.064 0.000 0.845 378 E CB 0.037 29.710 29.700 -0.045 0.000 0.782 378 E HN 0.642 nan 8.360 nan 0.000 0.491 379 E N -1.302 118.844 120.200 -0.090 0.000 2.474 379 E HA 0.066 4.416 4.350 -0.000 0.000 0.194 379 E C 0.684 177.254 176.600 -0.050 0.000 1.041 379 E CA 0.566 56.952 56.400 -0.025 0.000 0.874 379 E CB 0.042 29.757 29.700 0.025 0.000 0.914 379 E HN 0.355 nan 8.360 nan 0.000 0.498 380 G N 0.233 108.945 108.800 -0.147 0.000 2.176 380 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.232 380 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.232 380 G C -0.385 174.220 174.900 -0.491 0.000 0.986 380 G CA 0.230 45.133 45.100 -0.327 0.000 0.643 380 G HN 0.223 nan 8.290 nan 0.000 0.522 381 Y N 0.714 120.866 120.300 -0.246 0.000 2.342 381 Y HA 0.666 5.216 4.550 -0.000 0.000 0.334 381 Y C 1.160 176.854 175.900 -0.343 0.000 1.067 381 Y CA -0.837 57.086 58.100 -0.295 0.000 1.128 381 Y CB 0.949 39.240 38.460 -0.282 0.000 1.200 381 Y HN 0.066 nan 8.280 nan 0.000 0.464 382 R N 3.624 123.951 120.500 -0.288 0.000 2.248 382 R HA 0.287 4.627 4.340 -0.000 0.000 0.328 382 R C -0.734 175.248 176.300 -0.530 0.000 1.067 382 R CA -0.135 55.805 56.100 -0.266 0.000 0.924 382 R CB 0.167 30.370 30.300 -0.161 0.000 1.013 382 R HN 0.660 nan 8.270 nan 0.000 0.454 383 H N 1.657 120.673 119.070 -0.091 0.000 2.907 383 H HA 0.351 4.907 4.556 -0.000 0.000 0.361 383 H C -0.007 175.370 175.328 0.082 0.000 1.194 383 H CA -0.965 55.008 56.048 -0.124 0.000 1.152 383 H CB 1.588 31.175 29.762 -0.291 0.000 1.867 383 H HN 0.315 nan 8.280 nan 0.000 0.561 384 I N 1.324 121.972 120.570 0.130 0.000 2.471 384 I HA 0.028 4.198 4.170 -0.000 0.000 0.286 384 I C 0.410 176.595 176.117 0.113 0.000 1.079 384 I CA 0.187 61.544 61.300 0.096 0.000 1.398 384 I CB 0.295 38.272 38.000 -0.038 0.000 1.403 384 I HN 0.127 nan 8.210 nan 0.000 0.530 385 c N 7.150 125.767 118.600 0.028 0.000 2.456 385 c HA 0.439 5.009 4.570 -0.000 0.000 0.325 385 c C -0.399 173.579 174.090 -0.186 0.000 1.217 385 c CA -0.487 55.644 56.329 -0.330 0.000 1.687 385 c CB 1.139 43.205 42.510 -0.740 0.000 2.270 385 c HN 0.645 nan 8.230 nan 0.000 0.499 386 Y N 4.676 124.643 120.300 -0.555 0.000 2.335 386 Y HA 0.671 5.221 4.550 -0.000 0.000 0.339 386 Y C -1.017 174.419 175.900 -0.773 0.000 0.987 386 Y CA -0.881 56.840 58.100 -0.631 0.000 1.140 386 Y CB 0.189 38.349 38.460 -0.499 0.000 1.173 386 Y HN 0.602 nan 8.280 nan 0.000 0.486 387 F N 3.119 122.303 119.950 -1.276 0.000 2.523 387 F HA 0.530 5.057 4.527 -0.000 0.000 0.329 387 F C -0.274 174.779 175.800 -1.244 0.000 1.061 387 F CA -0.981 56.231 58.000 -1.314 0.000 0.967 387 F CB 1.554 39.436 39.000 -1.864 0.000 1.218 387 F HN 0.261 nan 8.300 nan 0.000 0.480 388 Q N 1.616 121.092 119.800 -0.541 0.000 2.333 388 Q HA 0.373 4.713 4.340 -0.000 0.000 0.268 388 Q C 0.924 176.908 176.000 -0.028 0.000 1.007 388 Q CA -0.286 55.333 55.803 -0.306 0.000 0.810 388 Q CB 1.361 29.967 28.738 -0.220 0.000 1.264 388 Q HN 0.674 nan 8.270 nan 0.000 0.452 389 I N -0.440 120.193 120.570 0.105 0.000 2.576 389 I HA -0.284 3.886 4.170 -0.000 0.000 0.263 389 I C 0.116 176.431 176.117 0.329 0.000 1.183 389 I CA 2.036 63.551 61.300 0.358 0.000 1.432 389 I CB -0.026 38.187 38.000 0.354 0.000 1.100 389 I HN 0.493 nan 8.210 nan 0.000 0.452 390 D N -0.444 120.058 120.400 0.169 0.000 2.479 390 D HA 0.137 4.777 4.640 -0.000 0.000 0.216 390 D C 0.436 176.762 176.300 0.043 0.000 1.110 390 D CA -0.182 53.866 54.000 0.079 0.000 0.841 390 D CB -0.024 40.802 40.800 0.043 0.000 1.040 390 D HN 0.206 nan 8.370 nan 0.000 0.505 391 K N 0.875 121.316 120.400 0.068 0.000 2.297 391 K HA 0.226 4.546 4.320 -0.000 0.000 0.286 391 K C 1.017 177.664 176.600 0.079 0.000 1.053 391 K CA -0.369 55.928 56.287 0.017 0.000 0.940 391 K CB 1.387 33.852 32.500 -0.059 0.000 1.019 391 K HN 0.034 nan 8.250 nan 0.000 0.475 392 K N 0.593 121.001 120.400 0.013 0.000 2.217 392 K HA -0.008 4.312 4.320 -0.000 0.000 0.202 392 K C -0.200 176.425 176.600 0.042 0.000 1.051 392 K CA 1.095 57.403 56.287 0.035 0.000 0.952 392 K CB 0.265 32.753 32.500 -0.019 0.000 0.736 392 K HN 0.330 nan 8.250 nan 0.000 0.453 393 D N 1.265 121.626 120.400 -0.065 0.000 2.217 393 D HA 0.159 4.799 4.640 -0.000 0.000 0.243 393 D C -0.199 175.875 176.300 -0.376 0.000 1.054 393 D CA -0.545 53.349 54.000 -0.177 0.000 0.838 393 D CB 1.591 42.308 40.800 -0.138 0.000 1.162 393 D HN 0.364 nan 8.370 nan 0.000 0.472 394 c N 0.681 118.876 118.600 -0.675 0.000 2.325 394 c HA 0.807 5.377 4.570 -0.000 0.000 0.370 394 c C 0.323 173.988 174.090 -0.709 0.000 1.217 394 c CA -0.496 55.206 56.329 -1.046 0.000 2.254 394 c CB 0.974 42.141 42.510 -2.238 0.000 2.282 394 c HN 0.478 nan 8.230 nan 0.000 0.564 395 T N 1.855 116.054 114.554 -0.592 0.000 2.815 395 T HA 0.467 4.817 4.350 -0.000 0.000 0.289 395 T C -0.656 173.845 174.700 -0.333 0.000 1.000 395 T CA 0.133 62.039 62.100 -0.323 0.000 0.958 395 T CB 0.289 69.117 68.868 -0.067 0.000 0.944 395 T HN 0.480 nan 8.240 nan 0.000 0.442 396 F N 3.212 123.054 119.950 -0.179 0.000 2.529 396 F HA 0.227 4.754 4.527 -0.000 0.000 0.365 396 F C 1.670 177.328 175.800 -0.237 0.000 1.102 396 F CA -0.749 57.135 58.000 -0.193 0.000 1.271 396 F CB 0.390 39.276 39.000 -0.189 0.000 1.120 396 F HN 0.576 nan 8.300 nan 0.000 0.579 397 I N -0.925 119.558 120.570 -0.145 0.000 4.018 397 I HA 0.260 4.430 4.170 -0.000 0.000 0.337 397 I C 0.121 176.103 176.117 -0.226 0.000 1.327 397 I CA 0.048 61.089 61.300 -0.433 0.000 1.100 397 I CB 0.069 37.513 38.000 -0.927 0.000 1.025 397 I HN 0.499 nan 8.210 nan 0.000 0.396 398 T N -0.046 114.405 114.554 -0.172 0.000 2.883 398 T HA 0.722 5.072 4.350 -0.000 0.000 0.296 398 T C -0.722 173.555 174.700 -0.705 0.000 1.117 398 T CA -0.648 61.303 62.100 -0.248 0.000 1.006 398 T CB 2.822 71.609 68.868 -0.135 0.000 1.191 398 T HN 0.501 nan 8.240 nan 0.000 0.508 399 K N -0.470 119.295 120.400 -1.059 0.000 2.711 399 K HA 0.721 5.041 4.320 -0.000 0.000 0.294 399 K C -0.496 175.415 176.600 -1.148 0.000 1.037 399 K CA -0.714 54.634 56.287 -1.564 0.000 0.858 399 K CB 1.085 33.132 32.500 -0.756 0.000 1.521 399 K HN 1.794 nan 8.250 nan 0.000 0.386 400 G N -0.137 108.103 108.800 -0.933 0.000 2.355 400 G HA2 0.070 4.030 3.960 -0.000 0.000 0.619 400 G HA3 0.070 4.030 3.960 -0.000 0.000 0.619 400 G C -0.659 173.731 174.900 -0.850 0.000 1.337 400 G CA -0.377 44.347 45.100 -0.626 0.000 0.993 400 G HN 1.059 nan 8.290 nan 0.000 0.599 401 T N -0.312 113.890 114.554 -0.586 0.000 4.058 401 T HA 0.545 4.895 4.350 -0.000 0.000 0.252 401 T C 0.257 174.790 174.700 -0.279 0.000 1.264 401 T CA 0.601 62.166 62.100 -0.891 0.000 1.094 401 T CB -0.955 67.631 68.868 -0.470 0.000 1.316 401 T HN 1.493 nan 8.240 nan 0.000 0.872 402 W N -0.368 120.768 121.300 -0.274 0.000 2.937 402 W HA 0.632 5.292 4.660 -0.000 0.000 0.360 402 W C -1.459 175.042 176.519 -0.030 0.000 1.215 402 W CA -0.981 56.341 57.345 -0.040 0.000 1.183 402 W CB 0.639 30.070 29.460 -0.049 0.000 1.458 402 W HN 0.174 nan 8.180 nan 0.000 0.574 403 E N 0.663 121.011 120.200 0.246 0.000 2.343 403 E HA 0.474 4.824 4.350 -0.000 0.000 0.270 403 E C -1.230 175.446 176.600 0.126 0.000 0.895 403 E CA -1.191 55.151 56.400 -0.097 0.000 0.767 403 E CB 3.322 33.008 29.700 -0.024 0.000 1.248 403 E HN 0.154 nan 8.360 nan 0.000 0.440 404 V N 3.432 123.286 119.914 -0.099 0.000 2.461 404 V HA 0.024 4.144 4.120 -0.000 0.000 0.275 404 V C 1.163 177.316 176.094 0.099 0.000 1.047 404 V CA -0.118 62.214 62.300 0.054 0.000 0.955 404 V CB 0.659 32.399 31.823 -0.137 0.000 0.988 404 V HN 0.681 nan 8.190 nan 0.000 0.471 405 I N 3.212 123.882 120.570 0.166 0.000 2.333 405 I HA 0.228 4.398 4.170 -0.000 0.000 0.246 405 I C 1.128 177.349 176.117 0.174 0.000 1.106 405 I CA 1.175 62.575 61.300 0.165 0.000 1.411 405 I CB -0.850 37.201 38.000 0.085 0.000 1.082 405 I HN 0.757 nan 8.210 nan 0.000 0.420 406 G N 0.576 109.481 108.800 0.175 0.000 2.616 406 G HA2 0.494 4.454 3.960 -0.000 0.000 0.294 406 G HA3 0.494 4.454 3.960 -0.000 0.000 0.294 406 G C -1.219 173.774 174.900 0.155 0.000 1.489 406 G CA -0.604 44.598 45.100 0.170 0.000 0.836 406 G HN -0.036 nan 8.290 nan 0.000 0.527 407 I N 1.852 122.460 120.570 0.063 0.000 2.337 407 I HA 0.205 4.375 4.170 -0.000 0.000 0.291 407 I C 0.771 176.844 176.117 -0.073 0.000 1.046 407 I CA -0.489 60.742 61.300 -0.115 0.000 1.324 407 I CB 1.558 39.205 38.000 -0.589 0.000 1.409 407 I HN 0.508 nan 8.210 nan 0.000 0.494 408 E N 5.131 125.342 120.200 0.019 0.000 2.307 408 E HA 0.295 4.645 4.350 -0.000 0.000 0.195 408 E C 0.236 176.762 176.600 -0.123 0.000 0.975 408 E CA 0.229 56.668 56.400 0.065 0.000 0.878 408 E CB 0.688 30.511 29.700 0.205 0.000 0.845 408 E HN 0.674 nan 8.360 nan 0.000 0.488 409 A N 0.581 123.246 122.820 -0.258 0.000 2.605 409 A HA 0.607 4.927 4.320 -0.000 0.000 0.294 409 A C -1.975 175.521 177.584 -0.146 0.000 1.062 409 A CA -0.658 51.136 52.037 -0.405 0.000 0.682 409 A CB 1.312 19.506 19.000 -1.343 0.000 1.278 409 A HN 0.043 nan 8.150 nan 0.000 0.410 410 L N 1.466 122.644 121.223 -0.075 0.000 2.476 410 L HA 0.782 5.122 4.340 -0.000 0.000 0.269 410 L C -0.011 176.884 176.870 0.042 0.000 0.965 410 L CA 0.409 55.245 54.840 -0.007 0.000 0.845 410 L CB 2.049 44.126 42.059 0.030 0.000 1.259 410 L HN 1.154 nan 8.230 nan 0.000 0.403 411 T N -0.236 114.361 114.554 0.072 0.000 2.940 411 T HA 0.424 4.774 4.350 -0.000 0.000 0.288 411 T C 1.014 175.761 174.700 0.078 0.000 1.045 411 T CA -0.017 62.139 62.100 0.092 0.000 1.018 411 T CB 1.369 70.325 68.868 0.146 0.000 1.151 411 T HN 0.641 nan 8.240 nan 0.000 0.529 412 S N -0.592 115.156 115.700 0.081 0.000 2.500 412 S HA -0.090 4.380 4.470 -0.000 0.000 0.239 412 S C 0.946 175.558 174.600 0.020 0.000 0.989 412 S CA 0.839 59.079 58.200 0.067 0.000 0.951 412 S CB -0.449 62.792 63.200 0.069 0.000 0.759 412 S HN 0.713 nan 8.310 nan 0.000 0.523 413 D N -0.074 120.343 120.400 0.028 0.000 2.527 413 D HA 0.260 4.900 4.640 -0.000 0.000 0.249 413 D C -0.259 175.893 176.300 -0.247 0.000 1.029 413 D CA 0.768 54.732 54.000 -0.060 0.000 0.951 413 D CB 0.236 41.116 40.800 0.133 0.000 1.093 413 D HN 0.382 nan 8.370 nan 0.000 0.464 414 Y N -0.268 119.976 120.300 -0.093 0.000 2.630 414 Y HA 0.463 5.013 4.550 -0.000 0.000 0.337 414 Y C -0.139 175.589 175.900 -0.287 0.000 1.051 414 Y CA -1.072 56.881 58.100 -0.246 0.000 1.121 414 Y CB 1.679 39.849 38.460 -0.483 0.000 1.299 414 Y HN -0.174 nan 8.280 nan 0.000 0.498 415 L N 2.680 123.784 121.223 -0.199 0.000 2.319 415 L HA 0.475 4.815 4.340 -0.000 0.000 0.281 415 L C -1.940 174.801 176.870 -0.215 0.000 1.005 415 L CA -0.818 53.887 54.840 -0.224 0.000 0.828 415 L CB 0.104 41.962 42.059 -0.335 0.000 1.227 415 L HN 0.624 nan 8.230 nan 0.000 0.415 416 Y N 5.907 126.122 120.300 -0.141 0.000 2.323 416 Y HA 0.559 5.109 4.550 -0.000 0.000 0.331 416 Y C -0.051 175.836 175.900 -0.022 0.000 1.092 416 Y CA -0.191 57.821 58.100 -0.147 0.000 1.150 416 Y CB 1.301 39.598 38.460 -0.271 0.000 1.200 416 Y HN 0.577 nan 8.280 nan 0.000 0.472 417 Y N -0.153 120.209 120.300 0.104 0.000 2.638 417 Y HA 0.784 5.334 4.550 -0.000 0.000 0.335 417 Y C -1.899 174.088 175.900 0.144 0.000 1.155 417 Y CA -2.102 56.049 58.100 0.085 0.000 1.046 417 Y CB 0.985 39.468 38.460 0.038 0.000 1.303 417 Y HN 0.424 nan 8.280 nan 0.000 0.460 418 I N 2.862 123.645 120.570 0.356 0.000 2.493 418 I HA 0.714 4.884 4.170 -0.000 0.000 0.298 418 I C -0.429 175.907 176.117 0.364 0.000 0.998 418 I CA -0.595 60.860 61.300 0.258 0.000 1.137 418 I CB 2.149 40.230 38.000 0.134 0.000 1.310 418 I HN 0.897 nan 8.210 nan 0.000 0.445 419 S N 2.716 118.598 115.700 0.304 0.000 2.656 419 S HA 0.385 4.854 4.470 -0.000 0.000 0.273 419 S C -0.649 174.025 174.600 0.123 0.000 1.168 419 S CA -0.884 57.466 58.200 0.250 0.000 0.817 419 S CB 1.670 65.070 63.200 0.334 0.000 1.146 419 S HN 0.651 nan 8.310 nan 0.000 0.475 420 N N -0.374 118.389 118.700 0.104 0.000 2.321 420 N HA 0.141 4.881 4.740 -0.000 0.000 0.242 420 N C 0.600 176.096 175.510 -0.023 0.000 1.141 420 N CA -0.148 52.914 53.050 0.020 0.000 0.864 420 N CB 0.227 38.706 38.487 -0.012 0.000 1.100 420 N HN 0.825 nan 8.380 nan 0.000 0.510 421 E N -0.016 120.051 120.200 -0.223 0.000 2.047 421 E HA -0.211 4.139 4.350 -0.000 0.000 0.191 421 E C -0.299 176.163 176.600 -0.230 0.000 0.987 421 E CA 0.277 56.306 56.400 -0.617 0.000 0.799 421 E CB -0.132 28.556 29.700 -1.686 0.000 0.752 421 E HN 0.356 nan 8.360 nan 0.000 0.449 422 Y N 1.816 122.027 120.300 -0.148 0.000 2.881 422 Y HA -0.142 4.408 4.550 -0.000 0.000 0.335 422 Y C 0.393 176.255 175.900 -0.063 0.000 1.263 422 Y CA 0.851 58.914 58.100 -0.063 0.000 1.572 422 Y CB 0.138 38.590 38.460 -0.013 0.000 1.237 422 Y HN 0.125 nan 8.280 nan 0.000 0.568 423 K N 2.992 123.122 120.400 -0.450 0.000 3.349 423 K HA -0.219 4.101 4.320 -0.000 0.000 0.310 423 K C 0.813 177.341 176.600 -0.120 0.000 1.267 423 K CA 1.297 57.372 56.287 -0.353 0.000 0.920 423 K CB -1.722 30.531 32.500 -0.412 0.000 1.240 423 K HN 1.342 nan 8.250 nan 0.000 0.453 424 G N 0.326 109.068 108.800 -0.096 0.000 2.203 424 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.263 424 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.263 424 G C 0.024 174.905 174.900 -0.032 0.000 1.012 424 G CA 0.854 45.939 45.100 -0.025 0.000 0.749 424 G HN 0.499 nan 8.290 nan 0.000 0.512 425 M N -1.113 118.394 119.600 -0.155 0.000 2.066 425 M HA 0.474 4.954 4.480 -0.000 0.000 0.340 425 M C -1.394 174.631 176.300 -0.457 0.000 1.053 425 M CA -2.307 52.698 55.300 -0.492 0.000 0.983 425 M CB 2.004 34.333 32.600 -0.452 0.000 1.520 425 M HN -0.091 nan 8.290 nan 0.000 0.428 426 P HA -0.090 nan 4.420 nan 0.000 0.223 426 P C 1.054 178.191 177.300 -0.271 0.000 1.144 426 P CA 1.561 64.476 63.100 -0.309 0.000 0.783 426 P CB 0.010 31.537 31.700 -0.287 0.000 0.771 427 G N -0.708 107.860 108.800 -0.387 0.000 3.141 427 G HA2 0.301 4.261 3.960 -0.000 0.000 0.218 427 G HA3 0.301 4.261 3.960 -0.000 0.000 0.218 427 G C 0.666 175.555 174.900 -0.019 0.000 1.170 427 G CA 0.114 45.120 45.100 -0.157 0.000 0.769 427 G HN 0.442 nan 8.290 nan 0.000 0.546 428 G N -0.237 108.495 108.800 -0.113 0.000 2.489 428 G HA2 0.653 4.613 3.960 -0.000 0.000 0.327 428 G HA3 0.653 4.613 3.960 -0.000 0.000 0.327 428 G C -0.951 173.806 174.900 -0.238 0.000 1.189 428 G CA -0.762 44.298 45.100 -0.068 0.000 0.962 428 G HN 0.058 nan 8.290 nan 0.000 0.486 429 R N 0.975 121.285 120.500 -0.318 0.000 2.538 429 R HA 0.453 4.793 4.340 -0.000 0.000 0.292 429 R C -1.255 175.009 176.300 -0.060 0.000 1.008 429 R CA -0.822 55.081 56.100 -0.327 0.000 0.896 429 R CB 1.987 31.824 30.300 -0.772 0.000 1.187 429 R HN 0.605 nan 8.270 nan 0.000 0.440 430 N N 1.627 120.323 118.700 -0.006 0.000 2.329 430 N HA 0.317 5.057 4.740 -0.000 0.000 0.282 430 N C -1.281 174.127 175.510 -0.170 0.000 1.198 430 N CA -0.809 52.161 53.050 -0.134 0.000 0.790 430 N CB 2.792 41.091 38.487 -0.313 0.000 1.579 430 N HN 0.258 nan 8.380 nan 0.000 0.475 431 L N 2.227 123.205 121.223 -0.408 0.000 2.292 431 L HA 0.483 4.823 4.340 -0.000 0.000 0.284 431 L C -1.408 175.124 176.870 -0.563 0.000 1.065 431 L CA 0.086 54.721 54.840 -0.342 0.000 0.806 431 L CB -0.101 41.747 42.059 -0.352 0.000 1.175 431 L HN 0.410 nan 8.230 nan 0.000 0.431 432 Y N 3.236 123.197 120.300 -0.566 0.000 2.602 432 Y HA 0.646 5.196 4.550 -0.000 0.000 0.342 432 Y C -0.551 174.948 175.900 -0.668 0.000 1.029 432 Y CA -0.965 56.733 58.100 -0.670 0.000 1.080 432 Y CB 1.688 39.592 38.460 -0.927 0.000 1.284 432 Y HN 0.563 nan 8.280 nan 0.000 0.485 433 K N 1.712 121.907 120.400 -0.342 0.000 2.482 433 K HA 0.717 5.037 4.320 -0.000 0.000 0.251 433 K C -1.933 174.595 176.600 -0.121 0.000 0.936 433 K CA -0.667 55.355 56.287 -0.442 0.000 0.791 433 K CB 2.590 34.600 32.500 -0.816 0.000 1.213 433 K HN 0.754 nan 8.250 nan 0.000 0.428 434 I N 2.777 123.352 120.570 0.008 0.000 2.378 434 I HA 0.147 4.317 4.170 -0.000 0.000 0.291 434 I C -0.564 175.611 176.117 0.097 0.000 0.992 434 I CA -0.768 60.611 61.300 0.131 0.000 1.154 434 I CB 1.796 39.903 38.000 0.178 0.000 1.315 434 I HN 0.887 nan 8.210 nan 0.000 0.448 435 Q N 5.980 125.810 119.800 0.050 0.000 2.281 435 Q HA 0.050 4.390 4.340 -0.000 0.000 0.267 435 Q C 0.084 175.978 176.000 -0.177 0.000 1.053 435 Q CA -0.447 55.154 55.803 -0.338 0.000 0.905 435 Q CB 1.142 29.727 28.738 -0.256 0.000 1.195 435 Q HN 0.777 nan 8.270 nan 0.000 0.398 436 L N 3.497 124.568 121.223 -0.254 0.000 2.187 436 L HA -0.172 4.168 4.340 -0.000 0.000 0.213 436 L C 2.046 178.810 176.870 -0.177 0.000 1.100 436 L CA 1.560 56.356 54.840 -0.074 0.000 0.765 436 L CB -0.719 41.273 42.059 -0.112 0.000 0.904 436 L HN 0.668 nan 8.230 nan 0.000 0.437 437 S N -1.433 114.122 115.700 -0.242 0.000 2.387 437 S HA -0.089 4.380 4.470 -0.000 0.000 0.226 437 S C 0.702 175.125 174.600 -0.295 0.000 1.026 437 S CA 0.967 59.021 58.200 -0.242 0.000 0.972 437 S CB -0.082 63.001 63.200 -0.194 0.000 0.814 437 S HN 0.450 nan 8.310 nan 0.000 0.477 438 D N -0.481 119.772 120.400 -0.245 0.000 2.336 438 D HA 0.285 4.925 4.640 -0.000 0.000 0.248 438 D C -0.177 176.084 176.300 -0.065 0.000 1.326 438 D CA -0.568 53.307 54.000 -0.209 0.000 0.973 438 D CB 0.144 40.874 40.800 -0.116 0.000 1.255 438 D HN -0.074 nan 8.370 nan 0.000 0.558 439 Y N 1.381 121.649 120.300 -0.054 0.000 2.538 439 Y HA -0.098 4.452 4.550 -0.000 0.000 0.287 439 Y C 2.415 178.314 175.900 -0.002 0.000 1.157 439 Y CA 0.784 58.867 58.100 -0.028 0.000 1.338 439 Y CB -0.945 37.500 38.460 -0.025 0.000 0.970 439 Y HN 0.365 nan 8.280 nan 0.000 0.564 440 T N -0.185 114.436 114.554 0.112 0.000 2.962 440 T HA -0.069 4.281 4.350 -0.000 0.000 0.270 440 T C 0.694 175.436 174.700 0.070 0.000 1.088 440 T CA 0.683 62.827 62.100 0.074 0.000 1.127 440 T CB -0.182 68.703 68.868 0.028 0.000 0.883 440 T HN 0.206 nan 8.240 nan 0.000 0.493 441 K N 1.879 122.320 120.400 0.069 0.000 2.257 441 K HA 0.445 4.765 4.320 -0.000 0.000 0.270 441 K C -1.127 175.534 176.600 0.103 0.000 1.098 441 K CA -0.239 56.090 56.287 0.070 0.000 0.943 441 K CB 1.657 34.188 32.500 0.052 0.000 1.316 441 K HN -0.008 nan 8.250 nan 0.000 0.447 442 V N 3.015 122.991 119.914 0.102 0.000 2.409 442 V HA 0.353 4.473 4.120 -0.000 0.000 0.291 442 V C -0.938 175.208 176.094 0.085 0.000 1.020 442 V CA -0.167 62.204 62.300 0.118 0.000 0.848 442 V CB 1.825 33.741 31.823 0.156 0.000 0.990 442 V HN 0.651 nan 8.190 nan 0.000 0.430 443 T N 6.115 120.689 114.554 0.032 0.000 2.770 443 T HA 0.276 4.626 4.350 -0.000 0.000 0.283 443 T C -0.374 174.237 174.700 -0.148 0.000 0.988 443 T CA -0.234 61.838 62.100 -0.048 0.000 0.957 443 T CB 0.971 69.783 68.868 -0.094 0.000 0.930 443 T HN 0.860 nan 8.240 nan 0.000 0.443 444 C N 5.444 124.594 119.300 -0.249 0.000 2.482 444 C HA 0.376 4.836 4.460 -0.000 0.000 0.378 444 C C 1.639 176.295 174.990 -0.558 0.000 1.284 444 C CA -0.584 58.015 59.018 -0.698 0.000 1.826 444 C CB -1.849 25.362 27.740 -0.882 0.000 2.473 444 C HN 0.983 nan 8.230 nan 0.000 0.562 445 L N 4.881 125.753 121.223 -0.586 0.000 2.558 445 L HA 0.103 4.443 4.340 -0.000 0.000 0.225 445 L C 1.956 178.516 176.870 -0.518 0.000 1.128 445 L CA 0.788 55.365 54.840 -0.438 0.000 0.868 445 L CB -0.305 41.532 42.059 -0.370 0.000 1.006 445 L HN 0.901 nan 8.230 nan 0.000 0.454 446 S N -3.769 111.505 115.700 -0.711 0.000 2.651 446 S HA -0.001 4.469 4.470 -0.000 0.000 0.259 446 S C 1.699 175.883 174.600 -0.693 0.000 1.073 446 S CA -0.124 57.560 58.200 -0.859 0.000 1.090 446 S CB -0.300 61.973 63.200 -1.544 0.000 1.042 446 S HN 0.277 nan 8.310 nan 0.000 0.581 447 C N 2.127 120.976 119.300 -0.751 0.000 2.391 447 C HA -0.028 4.431 4.460 -0.000 0.000 0.276 447 C C 2.504 177.194 174.990 -0.499 0.000 1.217 447 C CA 1.643 60.124 59.018 -0.896 0.000 1.766 447 C CB -1.046 25.844 27.740 -1.417 0.000 2.046 447 C HN 0.638 nan 8.230 nan 0.000 0.475 448 E N -0.204 119.795 120.200 -0.334 0.000 2.476 448 E HA 0.184 4.534 4.350 -0.000 0.000 0.199 448 E C 1.925 178.481 176.600 -0.073 0.000 1.021 448 E CA -0.085 56.232 56.400 -0.138 0.000 0.907 448 E CB -0.218 29.418 29.700 -0.108 0.000 0.974 448 E HN 0.536 nan 8.360 nan 0.000 0.489 449 L N 0.412 121.580 121.223 -0.091 0.000 2.051 449 L HA -0.167 4.173 4.340 -0.000 0.000 0.214 449 L C 0.870 177.758 176.870 0.032 0.000 1.076 449 L CA 1.137 55.967 54.840 -0.016 0.000 0.758 449 L CB -0.122 41.944 42.059 0.012 0.000 0.890 449 L HN 0.160 nan 8.230 nan 0.000 0.433 450 N N -1.823 116.913 118.700 0.060 0.000 3.211 450 N HA 0.045 4.785 4.740 -0.000 0.000 0.183 450 N C -2.094 173.460 175.510 0.074 0.000 1.447 450 N CA -0.675 52.408 53.050 0.055 0.000 0.840 450 N CB 0.599 39.113 38.487 0.045 0.000 1.611 450 N HN -0.191 nan 8.380 nan 0.000 0.610 451 P HA -0.163 nan 4.420 nan 0.000 0.217 451 P C 0.909 178.266 177.300 0.094 0.000 1.148 451 P CA 1.142 64.318 63.100 0.128 0.000 0.828 451 P CB 0.696 32.487 31.700 0.152 0.000 0.783 452 E N -0.043 120.192 120.200 0.059 0.000 2.015 452 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 452 E C 2.310 178.925 176.600 0.024 0.000 0.991 452 E CA 1.057 57.480 56.400 0.039 0.000 0.802 452 E CB -0.351 29.363 29.700 0.024 0.000 0.759 452 E HN 0.302 nan 8.360 nan 0.000 0.447 453 R N -0.297 120.207 120.500 0.006 0.000 2.189 453 R HA 0.056 4.396 4.340 -0.000 0.000 0.203 453 R C -0.002 176.266 176.300 -0.053 0.000 1.012 453 R CA 0.399 56.482 56.100 -0.028 0.000 1.015 453 R CB 0.403 30.674 30.300 -0.050 0.000 0.938 453 R HN 0.040 nan 8.270 nan 0.000 0.472 454 c N 1.241 119.820 118.600 -0.035 0.000 2.316 454 c HA 0.417 4.987 4.570 -0.000 0.000 0.324 454 c C 0.072 174.164 174.090 0.004 0.000 1.226 454 c CA -0.711 55.543 56.329 -0.126 0.000 1.450 454 c CB 1.414 43.778 42.510 -0.243 0.000 2.123 454 c HN 0.509 nan 8.230 nan 0.000 0.454 455 Q N 0.501 120.299 119.800 -0.004 0.000 2.113 455 Q HA 0.176 4.516 4.340 -0.000 0.000 0.225 455 Q C -0.973 175.102 176.000 0.125 0.000 0.786 455 Q CA 0.057 55.935 55.803 0.126 0.000 0.989 455 Q CB 1.391 30.209 28.738 0.133 0.000 1.174 455 Q HN 0.791 nan 8.270 nan 0.000 0.470 456 Y N 0.517 120.726 120.300 -0.150 0.000 2.373 456 Y HA 0.376 4.926 4.550 -0.000 0.000 0.327 456 Y C -1.542 174.211 175.900 -0.245 0.000 1.036 456 Y CA -1.069 56.962 58.100 -0.116 0.000 1.265 456 Y CB 0.795 39.193 38.460 -0.104 0.000 1.108 456 Y HN -0.079 nan 8.280 nan 0.000 0.471 457 Y N 1.971 122.226 120.300 -0.075 0.000 2.549 457 Y HA 0.704 5.254 4.550 -0.000 0.000 0.339 457 Y C 0.135 176.006 175.900 -0.048 0.000 1.053 457 Y CA -0.712 57.356 58.100 -0.054 0.000 1.105 457 Y CB 2.298 40.689 38.460 -0.116 0.000 1.258 457 Y HN 0.488 nan 8.280 nan 0.000 0.478 458 S N 0.425 116.229 115.700 0.174 0.000 2.595 458 S HA 0.865 5.335 4.470 -0.000 0.000 0.281 458 S C -1.700 172.977 174.600 0.129 0.000 1.117 458 S CA -0.773 57.510 58.200 0.138 0.000 0.873 458 S CB 1.830 65.120 63.200 0.151 0.000 1.108 458 S HN 0.657 nan 8.310 nan 0.000 0.477 459 V N 0.439 120.431 119.914 0.130 0.000 3.049 459 V HA 0.858 4.978 4.120 -0.000 0.000 0.309 459 V C -1.207 174.984 176.094 0.161 0.000 1.148 459 V CA -0.279 62.077 62.300 0.093 0.000 0.990 459 V CB 2.337 34.149 31.823 -0.018 0.000 1.039 459 V HN 1.177 nan 8.190 nan 0.000 0.430 460 S N 4.989 120.774 115.700 0.142 0.000 2.745 460 S HA 0.653 5.123 4.470 -0.000 0.000 0.283 460 S C -1.083 173.661 174.600 0.240 0.000 1.170 460 S CA -0.388 57.985 58.200 0.289 0.000 1.119 460 S CB 0.230 63.653 63.200 0.371 0.000 1.035 460 S HN 0.493 nan 8.310 nan 0.000 0.483 461 F N 2.934 122.920 119.950 0.061 0.000 2.370 461 F HA 0.437 4.964 4.527 -0.000 0.000 0.324 461 F C 1.461 176.842 175.800 -0.698 0.000 1.116 461 F CA -0.228 57.641 58.000 -0.218 0.000 1.123 461 F CB 1.175 40.033 39.000 -0.237 0.000 1.238 461 F HN 0.601 nan 8.300 nan 0.000 0.536 462 S N 1.565 116.698 115.700 -0.944 0.000 2.634 462 S HA 0.196 4.666 4.470 -0.000 0.000 0.261 462 S C 1.180 175.555 174.600 -0.376 0.000 1.271 462 S CA -0.873 56.551 58.200 -1.292 0.000 0.985 462 S CB 0.846 63.321 63.200 -1.209 0.000 0.968 462 S HN 0.500 nan 8.310 nan 0.000 0.568 463 K N 0.905 121.220 120.400 -0.142 0.000 2.077 463 K HA -0.130 4.190 4.320 -0.000 0.000 0.213 463 K C 0.966 177.550 176.600 -0.026 0.000 1.051 463 K CA 1.697 57.985 56.287 0.002 0.000 0.929 463 K CB -0.499 32.051 32.500 0.083 0.000 0.715 463 K HN 0.676 nan 8.250 nan 0.000 0.451 464 E N -0.950 119.204 120.200 -0.076 0.000 2.569 464 E HA 0.258 4.608 4.350 -0.000 0.000 0.205 464 E C -0.025 176.511 176.600 -0.107 0.000 1.006 464 E CA 0.138 56.499 56.400 -0.064 0.000 0.985 464 E CB 0.479 30.152 29.700 -0.044 0.000 1.060 464 E HN 0.248 nan 8.360 nan 0.000 0.460 465 A N 1.107 123.849 122.820 -0.130 0.000 2.860 465 A HA -0.329 3.991 4.320 -0.000 0.000 0.267 465 A C 1.534 179.052 177.584 -0.110 0.000 1.421 465 A CA 1.667 53.661 52.037 -0.071 0.000 0.831 465 A CB -2.073 16.793 19.000 -0.223 0.000 1.041 465 A HN 0.287 nan 8.150 nan 0.000 0.623 466 K N -1.791 118.445 120.400 -0.274 0.000 2.103 466 K HA 0.073 4.393 4.320 -0.000 0.000 0.204 466 K C 0.171 176.353 176.600 -0.696 0.000 1.052 466 K CA 1.579 57.562 56.287 -0.507 0.000 0.945 466 K CB -0.021 32.066 32.500 -0.688 0.000 0.722 466 K HN 0.678 nan 8.250 nan 0.000 0.443 467 Y N -1.133 119.029 120.300 -0.231 0.000 2.576 467 Y HA 0.335 4.885 4.550 -0.000 0.000 0.346 467 Y C -1.068 174.672 175.900 -0.266 0.000 1.018 467 Y CA -1.358 56.609 58.100 -0.221 0.000 1.050 467 Y CB 1.703 40.066 38.460 -0.162 0.000 1.280 467 Y HN -0.020 nan 8.280 nan 0.000 0.474 468 Y N -0.865 119.359 120.300 -0.128 0.000 2.482 468 Y HA 0.487 5.037 4.550 -0.000 0.000 0.334 468 Y C -1.208 174.659 175.900 -0.055 0.000 1.091 468 Y CA -1.411 56.452 58.100 -0.396 0.000 1.027 468 Y CB 1.377 39.066 38.460 -1.286 0.000 1.306 468 Y HN 0.616 nan 8.280 nan 0.000 0.446 469 Q N 4.577 124.477 119.800 0.166 0.000 2.278 469 Q HA 0.557 4.897 4.340 -0.000 0.000 0.257 469 Q C -1.726 174.345 176.000 0.119 0.000 0.928 469 Q CA -0.655 55.227 55.803 0.133 0.000 0.932 469 Q CB 1.236 30.041 28.738 0.112 0.000 1.221 469 Q HN 0.979 nan 8.270 nan 0.000 0.434 470 L N 4.308 125.608 121.223 0.129 0.000 2.309 470 L HA 0.533 4.873 4.340 -0.000 0.000 0.282 470 L C -0.233 176.691 176.870 0.090 0.000 1.036 470 L CA -0.601 54.313 54.840 0.124 0.000 0.806 470 L CB 1.432 43.545 42.059 0.090 0.000 1.220 470 L HN 0.621 nan 8.230 nan 0.000 0.429 471 R N 2.284 122.811 120.500 0.045 0.000 2.371 471 R HA 0.303 4.643 4.340 -0.000 0.000 0.312 471 R C -0.992 175.137 176.300 -0.284 0.000 0.980 471 R CA -0.481 55.465 56.100 -0.257 0.000 0.867 471 R CB 1.510 31.712 30.300 -0.163 0.000 1.163 471 R HN 0.590 nan 8.270 nan 0.000 0.492 472 c N 2.824 121.140 118.600 -0.474 0.000 2.415 472 c HA 0.339 4.909 4.570 -0.000 0.000 0.369 472 c C 1.433 175.285 174.090 -0.397 0.000 1.279 472 c CA -0.253 55.712 56.329 -0.607 0.000 1.886 472 c CB -0.027 42.095 42.510 -0.647 0.000 2.468 472 c HN 0.970 nan 8.230 nan 0.000 0.553 473 S N 3.725 119.279 115.700 -0.243 0.000 2.650 473 S HA 0.606 5.076 4.470 -0.000 0.000 0.240 473 S C 0.377 174.926 174.600 -0.085 0.000 1.007 473 S CA 0.209 58.328 58.200 -0.136 0.000 0.984 473 S CB 0.104 63.246 63.200 -0.098 0.000 0.910 473 S HN 1.852 nan 8.310 nan 0.000 0.509 474 G N 1.813 110.556 108.800 -0.095 0.000 2.328 474 G HA2 0.390 4.350 3.960 -0.000 0.000 0.299 474 G HA3 0.390 4.350 3.960 -0.000 0.000 0.299 474 G C -3.032 171.855 174.900 -0.020 0.000 1.435 474 G CA -0.554 44.536 45.100 -0.017 0.000 0.865 474 G HN -0.134 nan 8.290 nan 0.000 0.601 475 P HA 0.122 nan 4.420 nan 0.000 0.229 475 P C 1.273 178.630 177.300 0.096 0.000 1.160 475 P CA 1.286 64.426 63.100 0.066 0.000 0.777 475 P CB 0.425 32.158 31.700 0.056 0.000 0.814 476 G N 0.428 109.217 108.800 -0.018 0.000 2.508 476 G HA2 0.395 4.355 3.960 -0.000 0.000 0.278 476 G HA3 0.395 4.355 3.960 -0.000 0.000 0.278 476 G C -0.300 174.394 174.900 -0.344 0.000 1.389 476 G CA -0.746 44.279 45.100 -0.124 0.000 1.050 476 G HN 0.037 nan 8.290 nan 0.000 0.522 477 L N 1.263 122.188 121.223 -0.498 0.000 2.453 477 L HA 0.165 4.505 4.340 -0.000 0.000 0.272 477 L C -1.877 174.806 176.870 -0.311 0.000 1.182 477 L CA -1.290 53.172 54.840 -0.629 0.000 0.858 477 L CB 0.851 42.630 42.059 -0.467 0.000 1.120 477 L HN 0.233 nan 8.230 nan 0.000 0.474 478 P HA -0.037 nan 4.420 nan 0.000 0.261 478 P C -0.917 176.330 177.300 -0.089 0.000 1.173 478 P CA 0.173 63.194 63.100 -0.131 0.000 0.760 478 P CB 0.451 32.176 31.700 0.041 0.000 0.783 479 L N 5.708 126.797 121.223 -0.223 0.000 2.409 479 L HA 0.487 4.827 4.340 -0.000 0.000 0.272 479 L C -1.725 175.010 176.870 -0.225 0.000 0.980 479 L CA -0.688 54.087 54.840 -0.109 0.000 0.826 479 L CB 0.961 42.959 42.059 -0.100 0.000 1.268 479 L HN 0.203 nan 8.230 nan 0.000 0.407 480 Y N 2.917 123.176 120.300 -0.068 0.000 2.328 480 Y HA 0.733 5.283 4.550 -0.000 0.000 0.337 480 Y C 0.561 176.354 175.900 -0.178 0.000 0.966 480 Y CA -0.559 57.481 58.100 -0.100 0.000 1.136 480 Y CB 1.900 40.284 38.460 -0.127 0.000 1.170 480 Y HN 0.694 nan 8.280 nan 0.000 0.470 481 T N 1.249 115.799 114.554 -0.005 0.000 2.916 481 T HA 0.744 5.094 4.350 -0.000 0.000 0.292 481 T C -1.159 173.456 174.700 -0.142 0.000 1.064 481 T CA -0.973 61.063 62.100 -0.107 0.000 1.011 481 T CB 1.872 70.721 68.868 -0.031 0.000 1.152 481 T HN 0.548 nan 8.240 nan 0.000 0.510 482 L N 1.261 122.269 121.223 -0.358 0.000 2.346 482 L HA 0.672 5.012 4.340 -0.000 0.000 0.274 482 L C -1.168 175.352 176.870 -0.584 0.000 1.007 482 L CA -0.826 53.844 54.840 -0.283 0.000 0.818 482 L CB 1.789 43.707 42.059 -0.235 0.000 1.284 482 L HN 0.903 nan 8.230 nan 0.000 0.424 483 H N 0.069 118.880 119.070 -0.432 0.000 2.946 483 H HA 0.452 5.007 4.556 -0.000 0.000 0.365 483 H C -0.710 174.392 175.328 -0.377 0.000 1.197 483 H CA -0.761 54.948 56.048 -0.564 0.000 1.131 483 H CB 1.971 31.056 29.762 -1.129 0.000 1.849 483 H HN 0.429 nan 8.280 nan 0.000 0.555 484 S N -0.109 115.547 115.700 -0.074 0.000 2.449 484 S HA 0.288 4.758 4.470 -0.000 0.000 0.310 484 S C 0.332 174.933 174.600 0.001 0.000 1.096 484 S CA -0.690 57.513 58.200 0.006 0.000 1.095 484 S CB 1.602 64.838 63.200 0.060 0.000 1.007 484 S HN 0.564 nan 8.310 nan 0.000 0.474 485 S N 2.490 118.202 115.700 0.019 0.000 2.382 485 S HA -0.140 4.330 4.470 -0.000 0.000 0.228 485 S C 2.052 176.680 174.600 0.047 0.000 1.027 485 S CA 1.091 59.379 58.200 0.147 0.000 0.991 485 S CB -0.638 62.622 63.200 0.101 0.000 0.823 485 S HN 0.773 nan 8.310 nan 0.000 0.469 486 V N 2.494 122.391 119.914 -0.028 0.000 2.257 486 V HA -0.333 3.787 4.120 -0.000 0.000 0.257 486 V C 0.824 176.918 176.094 -0.001 0.000 1.077 486 V CA 2.539 64.829 62.300 -0.018 0.000 1.063 486 V CB -0.481 31.321 31.823 -0.035 0.000 0.664 486 V HN 0.639 nan 8.190 nan 0.000 0.450 487 N N -1.386 117.316 118.700 0.004 0.000 2.240 487 N HA 0.176 4.916 4.740 -0.000 0.000 0.240 487 N C -0.590 174.929 175.510 0.014 0.000 1.277 487 N CA 0.395 53.447 53.050 0.003 0.000 0.873 487 N CB 0.593 39.083 38.487 0.005 0.000 1.222 487 N HN 0.440 nan 8.380 nan 0.000 0.507 488 D N 1.375 121.805 120.400 0.050 0.000 2.708 488 D HA -0.169 4.471 4.640 -0.000 0.000 0.236 488 D C -0.461 175.882 176.300 0.072 0.000 1.146 488 D CA 1.221 55.285 54.000 0.106 0.000 0.662 488 D CB -0.707 40.134 40.800 0.068 0.000 1.059 488 D HN 0.442 nan 8.370 nan 0.000 0.428 489 K N 0.156 120.576 120.400 0.035 0.000 2.218 489 K HA 0.424 4.744 4.320 -0.000 0.000 0.276 489 K C 1.042 177.623 176.600 -0.031 0.000 1.022 489 K CA -0.208 56.083 56.287 0.007 0.000 0.946 489 K CB 1.080 33.575 32.500 -0.009 0.000 1.000 489 K HN 0.098 nan 8.250 nan 0.000 0.468 490 G N 2.761 111.518 108.800 -0.072 0.000 2.365 490 G HA2 0.164 4.124 3.960 -0.000 0.000 0.293 490 G HA3 0.164 4.124 3.960 -0.000 0.000 0.293 490 G C 0.774 175.517 174.900 -0.262 0.000 1.128 490 G CA -0.417 44.510 45.100 -0.288 0.000 0.971 490 G HN 0.570 nan 8.290 nan 0.000 0.422 491 L N 1.795 122.822 121.223 -0.326 0.000 2.072 491 L HA 0.214 4.554 4.340 -0.000 0.000 0.205 491 L C 1.639 178.392 176.870 -0.194 0.000 1.079 491 L CA 1.003 55.721 54.840 -0.203 0.000 0.752 491 L CB -0.292 41.660 42.059 -0.178 0.000 0.906 491 L HN 0.772 nan 8.230 nan 0.000 0.436 492 R N -2.789 117.553 120.500 -0.264 0.000 3.012 492 R HA 0.325 4.665 4.340 -0.000 0.000 0.287 492 R C -1.642 174.516 176.300 -0.238 0.000 0.990 492 R CA -0.976 55.002 56.100 -0.204 0.000 0.839 492 R CB 0.930 31.140 30.300 -0.149 0.000 1.317 492 R HN -0.303 nan 8.270 nan 0.000 0.518 493 V N 2.450 122.257 119.914 -0.179 0.000 2.432 493 V HA 0.224 4.344 4.120 -0.000 0.000 0.275 493 V C 1.171 177.132 176.094 -0.222 0.000 1.043 493 V CA -0.436 61.763 62.300 -0.169 0.000 0.925 493 V CB 1.219 32.981 31.823 -0.102 0.000 0.985 493 V HN 0.618 nan 8.190 nan 0.000 0.466 494 L N 2.572 123.599 121.223 -0.326 0.000 2.298 494 L HA 0.336 4.676 4.340 -0.000 0.000 0.209 494 L C 0.618 177.301 176.870 -0.312 0.000 1.084 494 L CA 0.586 55.072 54.840 -0.589 0.000 0.816 494 L CB 0.257 41.523 42.059 -1.322 0.000 0.967 494 L HN 0.685 nan 8.230 nan 0.000 0.460 495 E N 0.007 120.136 120.200 -0.118 0.000 2.406 495 E HA 0.085 4.435 4.350 -0.000 0.000 0.297 495 E C -1.274 175.384 176.600 0.097 0.000 0.917 495 E CA -0.349 56.066 56.400 0.025 0.000 0.795 495 E CB 1.003 30.724 29.700 0.034 0.000 1.285 495 E HN 0.170 nan 8.360 nan 0.000 0.400 496 D N 2.907 123.336 120.400 0.047 0.000 2.431 496 D HA 0.171 4.811 4.640 -0.000 0.000 0.213 496 D C -0.247 176.062 176.300 0.015 0.000 1.130 496 D CA -0.259 53.757 54.000 0.028 0.000 0.834 496 D CB 0.006 40.802 40.800 -0.006 0.000 0.985 496 D HN 0.436 nan 8.370 nan 0.000 0.504 497 N N 0.443 119.165 118.700 0.036 0.000 2.721 497 N HA -0.221 4.519 4.740 -0.000 0.000 0.249 497 N C 0.895 176.404 175.510 -0.001 0.000 1.072 497 N CA 0.939 54.000 53.050 0.020 0.000 0.710 497 N CB -1.251 37.235 38.487 -0.002 0.000 0.993 497 N HN 0.506 nan 8.380 nan 0.000 0.547 498 S N -1.376 114.327 115.700 0.005 0.000 2.419 498 S HA -0.004 4.465 4.470 -0.000 0.000 0.233 498 S C 2.041 176.651 174.600 0.016 0.000 1.016 498 S CA 0.841 59.042 58.200 0.002 0.000 0.974 498 S CB 0.016 63.218 63.200 0.004 0.000 0.786 498 S HN 0.509 nan 8.310 nan 0.000 0.492 499 A N 2.110 124.948 122.820 0.029 0.000 1.873 499 A HA 0.141 4.460 4.320 -0.000 0.000 0.215 499 A C 2.194 179.816 177.584 0.063 0.000 1.186 499 A CA 1.426 53.490 52.037 0.045 0.000 0.616 499 A CB -0.909 18.120 19.000 0.049 0.000 0.823 499 A HN 0.526 nan 8.150 nan 0.000 0.442 500 L N 0.446 121.709 121.223 0.065 0.000 2.131 500 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 500 L C 1.807 178.711 176.870 0.056 0.000 1.092 500 L CA 2.798 57.694 54.840 0.094 0.000 0.759 500 L CB -0.756 41.353 42.059 0.084 0.000 0.903 500 L HN 0.494 nan 8.230 nan 0.000 0.435 501 D N -0.836 119.570 120.400 0.010 0.000 2.097 501 D HA -0.200 4.440 4.640 -0.000 0.000 0.195 501 D C 1.971 178.279 176.300 0.012 0.000 0.989 501 D CA 1.228 55.219 54.000 -0.014 0.000 0.827 501 D CB 0.117 40.898 40.800 -0.031 0.000 0.966 501 D HN 0.153 nan 8.370 nan 0.000 0.456 502 K N -0.077 120.341 120.400 0.030 0.000 2.097 502 K HA -0.106 4.214 4.320 -0.000 0.000 0.206 502 K C 2.214 178.852 176.600 0.064 0.000 1.049 502 K CA 0.645 56.955 56.287 0.040 0.000 0.933 502 K CB -0.559 31.966 32.500 0.041 0.000 0.717 502 K HN 0.359 nan 8.250 nan 0.000 0.442 503 M N 0.449 120.107 119.600 0.097 0.000 2.117 503 M HA -0.101 4.379 4.480 -0.000 0.000 0.262 503 M C 1.906 178.279 176.300 0.122 0.000 1.065 503 M CA 1.338 56.739 55.300 0.168 0.000 1.114 503 M CB -0.030 32.733 32.600 0.272 0.000 1.361 503 M HN 0.011 nan 8.290 nan 0.000 0.408 504 L N -0.005 121.234 121.223 0.027 0.000 2.376 504 L HA -0.178 4.162 4.340 -0.000 0.000 0.219 504 L C 2.325 179.172 176.870 -0.039 0.000 1.133 504 L CA 0.708 55.498 54.840 -0.082 0.000 0.816 504 L CB -0.591 41.420 42.059 -0.080 0.000 0.933 504 L HN 0.478 nan 8.230 nan 0.000 0.449 505 Q N -1.064 118.739 119.800 0.004 0.000 2.482 505 Q HA -0.062 4.278 4.340 -0.000 0.000 0.209 505 Q C 0.754 176.771 176.000 0.030 0.000 0.961 505 Q CA 0.596 56.407 55.803 0.014 0.000 0.945 505 Q CB -0.221 28.529 28.738 0.019 0.000 1.012 505 Q HN 0.515 nan 8.270 nan 0.000 0.515 506 N N 1.032 119.757 118.700 0.043 0.000 2.268 506 N HA 0.107 4.847 4.740 -0.000 0.000 0.204 506 N C -0.604 174.945 175.510 0.066 0.000 1.124 506 N CA 0.169 53.258 53.050 0.065 0.000 0.838 506 N CB 1.668 40.212 38.487 0.095 0.000 0.994 506 N HN 0.139 nan 8.380 nan 0.000 0.489 507 V N 0.194 120.124 119.914 0.026 0.000 2.888 507 V HA 0.259 4.379 4.120 -0.000 0.000 0.309 507 V C -1.193 174.901 176.094 -0.000 0.000 1.114 507 V CA -0.806 61.506 62.300 0.021 0.000 0.940 507 V CB 2.398 34.201 31.823 -0.034 0.000 1.021 507 V HN -0.033 nan 8.190 nan 0.000 0.426 508 Q N 6.219 126.027 119.800 0.014 0.000 2.431 508 Q HA 0.343 4.683 4.340 -0.000 0.000 0.234 508 Q C -0.350 175.615 176.000 -0.057 0.000 1.203 508 Q CA -0.163 55.621 55.803 -0.033 0.000 0.902 508 Q CB 0.624 29.333 28.738 -0.049 0.000 1.455 508 Q HN 0.631 nan 8.270 nan 0.000 0.515 509 M N 3.933 123.488 119.600 -0.075 0.000 2.250 509 M HA 0.334 4.814 4.480 -0.000 0.000 0.344 509 M C -1.890 174.336 176.300 -0.124 0.000 1.150 509 M CA -2.312 52.928 55.300 -0.100 0.000 1.147 509 M CB 0.014 32.557 32.600 -0.095 0.000 1.498 509 M HN 0.337 nan 8.290 nan 0.000 0.461 510 P HA 0.275 nan 4.420 nan 0.000 0.279 510 P C -0.838 176.368 177.300 -0.156 0.000 1.282 510 P CA -0.354 62.647 63.100 -0.165 0.000 0.788 510 P CB 0.687 32.276 31.700 -0.185 0.000 1.139 511 S N -1.390 114.205 115.700 -0.175 0.000 2.677 511 S HA 0.630 5.100 4.470 -0.000 0.000 0.304 511 S C -0.643 173.849 174.600 -0.180 0.000 1.108 511 S CA -0.792 57.320 58.200 -0.147 0.000 0.944 511 S CB 1.959 65.084 63.200 -0.125 0.000 1.127 511 S HN 0.523 nan 8.310 nan 0.000 0.511 512 K N 0.445 120.765 120.400 -0.133 0.000 2.324 512 K HA 0.462 4.782 4.320 -0.000 0.000 0.253 512 K C -1.421 175.119 176.600 -0.100 0.000 0.932 512 K CA -0.577 55.634 56.287 -0.128 0.000 0.799 512 K CB 1.520 33.962 32.500 -0.097 0.000 1.154 512 K HN 0.739 nan 8.250 nan 0.000 0.425 513 K N 5.388 125.723 120.400 -0.108 0.000 2.323 513 K HA 0.343 4.663 4.320 -0.000 0.000 0.259 513 K C -1.482 175.085 176.600 -0.054 0.000 0.947 513 K CA -0.734 55.507 56.287 -0.077 0.000 0.819 513 K CB 1.126 33.565 32.500 -0.101 0.000 1.109 513 K HN 0.548 nan 8.250 nan 0.000 0.429 514 L N 4.365 125.576 121.223 -0.021 0.000 2.325 514 L HA 0.489 4.829 4.340 -0.000 0.000 0.281 514 L C -1.335 175.546 176.870 0.019 0.000 1.004 514 L CA -0.130 54.725 54.840 0.026 0.000 0.823 514 L CB 1.343 43.476 42.059 0.124 0.000 1.236 514 L HN 0.881 nan 8.230 nan 0.000 0.415 515 D N 3.057 123.321 120.400 -0.226 0.000 2.851 515 D HA 0.505 5.145 4.640 -0.000 0.000 0.339 515 D C -1.531 174.448 176.300 -0.534 0.000 1.347 515 D CA 0.009 53.807 54.000 -0.338 0.000 0.888 515 D CB 1.865 42.437 40.800 -0.379 0.000 1.431 515 D HN 0.245 nan 8.370 nan 0.000 0.509 516 F N -0.230 119.368 119.950 -0.586 0.000 2.643 516 F HA 0.759 5.285 4.527 -0.000 0.000 0.314 516 F C -0.861 174.990 175.800 0.084 0.000 1.096 516 F CA -1.062 56.715 58.000 -0.371 0.000 0.953 516 F CB 0.772 39.079 39.000 -1.156 0.000 1.345 516 F HN 0.344 nan 8.300 nan 0.000 0.468 517 I N -0.353 120.429 120.570 0.354 0.000 3.067 517 I HA 0.723 4.893 4.170 -0.000 0.000 0.312 517 I C -1.415 174.919 176.117 0.361 0.000 1.073 517 I CA -1.347 60.096 61.300 0.239 0.000 1.016 517 I CB 2.559 40.708 38.000 0.248 0.000 1.227 517 I HN 0.638 nan 8.210 nan 0.000 0.456 518 I N 3.741 124.462 120.570 0.251 0.000 2.382 518 I HA 0.374 4.544 4.170 -0.000 0.000 0.285 518 I C -0.855 175.408 176.117 0.243 0.000 1.007 518 I CA -0.442 61.021 61.300 0.272 0.000 1.142 518 I CB 1.641 39.758 38.000 0.195 0.000 1.289 518 I HN 0.365 nan 8.210 nan 0.000 0.453 519 L N 7.224 128.666 121.223 0.365 0.000 2.272 519 L HA 0.335 4.675 4.340 -0.000 0.000 0.289 519 L C 0.324 177.336 176.870 0.235 0.000 1.032 519 L CA -0.806 54.190 54.840 0.260 0.000 0.810 519 L CB 1.028 43.219 42.059 0.221 0.000 1.205 519 L HN 0.768 nan 8.230 nan 0.000 0.422 520 N N 4.643 123.419 118.700 0.126 0.000 2.843 520 N HA -0.295 4.445 4.740 -0.000 0.000 0.303 520 N C 0.063 175.634 175.510 0.101 0.000 1.092 520 N CA 0.872 53.977 53.050 0.090 0.000 0.802 520 N CB -0.272 38.248 38.487 0.056 0.000 0.984 520 N HN 0.876 nan 8.380 nan 0.000 0.595 521 E N -3.103 117.149 120.200 0.087 0.000 4.756 521 E HA -0.174 4.176 4.350 -0.000 0.000 0.242 521 E C -0.218 176.414 176.600 0.054 0.000 0.834 521 E CA 2.053 58.491 56.400 0.064 0.000 2.024 521 E CB -1.591 28.135 29.700 0.045 0.000 1.768 521 E HN 0.806 nan 8.360 nan 0.000 0.481 522 T N 2.457 117.061 114.554 0.084 0.000 2.925 522 T HA 0.479 4.829 4.350 -0.000 0.000 0.285 522 T C 0.176 174.834 174.700 -0.071 0.000 1.021 522 T CA -0.716 61.351 62.100 -0.054 0.000 1.042 522 T CB 2.008 70.764 68.868 -0.186 0.000 1.037 522 T HN 0.128 nan 8.240 nan 0.000 0.481 523 K N 1.714 121.964 120.400 -0.250 0.000 2.213 523 K HA 0.547 4.867 4.320 -0.000 0.000 0.270 523 K C -1.551 174.830 176.600 -0.364 0.000 1.002 523 K CA -0.570 55.633 56.287 -0.140 0.000 0.868 523 K CB 0.808 33.113 32.500 -0.325 0.000 1.093 523 K HN 0.392 nan 8.250 nan 0.000 0.454 524 F N 1.876 121.927 119.950 0.169 0.000 2.493 524 F HA 0.353 4.880 4.527 -0.000 0.000 0.329 524 F C -0.631 175.284 175.800 0.192 0.000 1.126 524 F CA -0.778 57.305 58.000 0.138 0.000 0.937 524 F CB 1.056 40.091 39.000 0.058 0.000 1.146 524 F HN 0.521 nan 8.300 nan 0.000 0.442 525 W N 3.575 125.004 121.300 0.214 0.000 2.237 525 W HA 0.490 5.150 4.660 -0.000 0.000 0.335 525 W C -0.479 176.227 176.519 0.312 0.000 1.230 525 W CA -0.550 56.948 57.345 0.255 0.000 1.253 525 W CB 0.379 29.916 29.460 0.128 0.000 1.129 525 W HN 0.464 nan 8.180 nan 0.000 0.590 526 Y N -0.651 119.989 120.300 0.567 0.000 2.655 526 Y HA 0.674 5.224 4.550 -0.000 0.000 0.336 526 Y C -1.085 175.050 175.900 0.391 0.000 1.154 526 Y CA -1.946 56.488 58.100 0.556 0.000 1.055 526 Y CB 1.162 40.132 38.460 0.849 0.000 1.295 526 Y HN 0.554 nan 8.280 nan 0.000 0.465 527 Q N 1.866 121.925 119.800 0.430 0.000 2.379 527 Q HA 0.748 5.088 4.340 -0.000 0.000 0.278 527 Q C -1.903 174.207 176.000 0.182 0.000 1.068 527 Q CA -1.143 54.776 55.803 0.193 0.000 0.816 527 Q CB 3.299 32.114 28.738 0.128 0.000 1.387 527 Q HN 0.848 nan 8.270 nan 0.000 0.413 528 M N 2.683 122.309 119.600 0.043 0.000 2.263 528 M HA 0.436 4.916 4.480 -0.000 0.000 0.295 528 M C -1.190 175.007 176.300 -0.173 0.000 1.028 528 M CA -0.935 54.310 55.300 -0.092 0.000 0.921 528 M CB 2.154 34.641 32.600 -0.188 0.000 1.601 528 M HN 0.602 nan 8.290 nan 0.000 0.440 529 I N 5.152 125.619 120.570 -0.172 0.000 2.291 529 I HA 0.311 4.481 4.170 -0.000 0.000 0.292 529 I C -0.321 175.614 176.117 -0.303 0.000 1.064 529 I CA -0.182 60.994 61.300 -0.206 0.000 1.269 529 I CB -0.065 37.839 38.000 -0.160 0.000 1.418 529 I HN 0.644 nan 8.210 nan 0.000 0.485 530 L N 8.483 129.470 121.223 -0.393 0.000 2.307 530 L HA 0.420 4.760 4.340 -0.000 0.000 0.282 530 L C -2.139 174.507 176.870 -0.373 0.000 1.051 530 L CA -1.770 52.727 54.840 -0.572 0.000 0.804 530 L CB 1.041 42.568 42.059 -0.886 0.000 1.197 530 L HN 0.256 nan 8.230 nan 0.000 0.431 531 P HA 0.078 nan 4.420 nan 0.000 0.268 531 P C -2.467 174.774 177.300 -0.098 0.000 1.208 531 P CA -0.820 62.195 63.100 -0.142 0.000 0.777 531 P CB -0.053 31.633 31.700 -0.024 0.000 0.875 532 P HA -0.009 nan 4.420 nan 0.000 0.267 532 P C -0.541 176.644 177.300 -0.191 0.000 1.200 532 P CA 0.441 63.372 63.100 -0.282 0.000 0.772 532 P CB -0.284 31.141 31.700 -0.458 0.000 0.855 533 H N -1.621 117.490 119.070 0.069 0.000 2.713 533 H HA -0.222 4.334 4.556 -0.000 0.000 0.311 533 H C -0.068 175.331 175.328 0.118 0.000 1.175 533 H CA -0.526 55.567 56.048 0.075 0.000 1.143 533 H CB -2.184 27.613 29.762 0.058 0.000 1.434 533 H HN 0.312 nan 8.280 nan 0.000 0.418 534 F N 2.462 122.420 119.950 0.014 0.000 2.612 534 F HA 0.056 4.583 4.527 -0.000 0.000 0.389 534 F C 0.586 176.403 175.800 0.029 0.000 1.055 534 F CA -0.146 57.816 58.000 -0.064 0.000 1.232 534 F CB 0.458 39.311 39.000 -0.245 0.000 1.044 534 F HN 0.268 nan 8.300 nan 0.000 0.560 535 D N 6.132 126.246 120.400 -0.476 0.000 2.464 535 D HA 0.122 4.762 4.640 -0.000 0.000 0.243 535 D C 0.622 176.573 176.300 -0.583 0.000 1.104 535 D CA -0.546 53.229 54.000 -0.374 0.000 0.883 535 D CB 0.877 41.612 40.800 -0.108 0.000 1.050 535 D HN 0.682 nan 8.370 nan 0.000 0.524 536 K N 0.975 120.988 120.400 -0.646 0.000 2.519 536 K HA -0.125 4.195 4.320 -0.000 0.000 0.196 536 K C 1.268 177.867 176.600 -0.002 0.000 1.041 536 K CA 1.070 57.174 56.287 -0.304 0.000 0.954 536 K CB -0.015 32.478 32.500 -0.011 0.000 0.774 536 K HN 0.179 nan 8.250 nan 0.000 0.480 537 S N -0.066 115.599 115.700 -0.059 0.000 2.478 537 S HA 0.026 4.496 4.470 -0.000 0.000 0.222 537 S C 0.817 175.401 174.600 -0.027 0.000 1.008 537 S CA -0.291 57.898 58.200 -0.019 0.000 0.928 537 S CB 0.036 63.214 63.200 -0.037 0.000 0.781 537 S HN 0.303 nan 8.310 nan 0.000 0.518 538 K N 1.232 121.597 120.400 -0.058 0.000 2.102 538 K HA 0.314 4.634 4.320 -0.000 0.000 0.244 538 K C -0.703 175.856 176.600 -0.069 0.000 1.021 538 K CA -0.319 55.886 56.287 -0.135 0.000 0.913 538 K CB 0.513 32.839 32.500 -0.290 0.000 1.062 538 K HN 0.127 nan 8.250 nan 0.000 0.485 539 K N 2.527 122.821 120.400 -0.176 0.000 2.394 539 K HA 0.225 4.545 4.320 -0.000 0.000 0.260 539 K C -1.411 175.093 176.600 -0.159 0.000 0.967 539 K CA -0.554 55.702 56.287 -0.052 0.000 0.855 539 K CB 1.046 33.511 32.500 -0.058 0.000 1.101 539 K HN 0.362 nan 8.250 nan 0.000 0.433 540 Y N 2.851 123.181 120.300 0.050 0.000 2.387 540 Y HA 0.289 4.839 4.550 -0.000 0.000 0.330 540 Y C -1.942 173.894 175.900 -0.107 0.000 1.133 540 Y CA -2.614 55.484 58.100 -0.002 0.000 1.152 540 Y CB 0.692 39.210 38.460 0.096 0.000 1.215 540 Y HN 0.461 nan 8.280 nan 0.000 0.466 541 P HA 0.209 nan 4.420 nan 0.000 0.274 541 P C -1.128 176.001 177.300 -0.285 0.000 1.231 541 P CA -0.251 62.539 63.100 -0.516 0.000 0.790 541 P CB 1.721 32.687 31.700 -1.222 0.000 0.951 542 L N 2.706 123.834 121.223 -0.157 0.000 2.386 542 L HA 0.527 4.867 4.340 -0.000 0.000 0.271 542 L C -1.105 175.966 176.870 0.335 0.000 0.993 542 L CA -1.061 53.839 54.840 0.099 0.000 0.819 542 L CB 1.641 43.772 42.059 0.119 0.000 1.294 542 L HN 0.258 nan 8.230 nan 0.000 0.414 543 L N 5.628 127.053 121.223 0.336 0.000 2.298 543 L HA 0.416 4.756 4.340 -0.000 0.000 0.284 543 L C -1.169 175.938 176.870 0.393 0.000 1.013 543 L CA -0.878 54.214 54.840 0.420 0.000 0.824 543 L CB 1.722 43.978 42.059 0.329 0.000 1.221 543 L HN 0.602 nan 8.230 nan 0.000 0.418 544 L N 5.327 126.831 121.223 0.469 0.000 2.283 544 L HA 0.297 4.637 4.340 -0.000 0.000 0.287 544 L C -0.177 176.945 176.870 0.419 0.000 1.073 544 L CA 0.133 55.238 54.840 0.442 0.000 0.822 544 L CB 0.704 43.065 42.059 0.503 0.000 1.186 544 L HN 0.465 nan 8.230 nan 0.000 0.436 545 D N 4.486 125.110 120.400 0.373 0.000 2.339 545 D HA 0.229 4.869 4.640 -0.000 0.000 0.241 545 D C -0.945 175.452 176.300 0.163 0.000 1.183 545 D CA 0.107 54.259 54.000 0.254 0.000 0.859 545 D CB 1.233 42.243 40.800 0.351 0.000 1.067 545 D HN 0.334 nan 8.370 nan 0.000 0.484 546 V N 5.297 125.236 119.914 0.041 0.000 2.864 546 V HA 0.485 4.605 4.120 -0.000 0.000 0.314 546 V C -1.083 175.110 176.094 0.164 0.000 1.073 546 V CA -0.412 61.973 62.300 0.140 0.000 0.956 546 V CB 1.916 33.828 31.823 0.148 0.000 1.023 546 V HN 0.639 nan 8.190 nan 0.000 0.435 547 Y N 4.588 124.967 120.300 0.131 0.000 3.266 547 Y HA 0.582 5.132 4.550 -0.000 0.000 0.189 547 Y C 1.488 177.535 175.900 0.244 0.000 0.895 547 Y CA 1.397 59.602 58.100 0.174 0.000 1.706 547 Y CB 0.036 38.577 38.460 0.136 0.000 1.449 547 Y HN 1.254 nan 8.280 nan 0.000 0.391 548 A N 0.946 123.894 122.820 0.213 0.000 2.847 548 A HA -0.133 4.186 4.320 -0.000 0.000 0.263 548 A C 0.881 178.306 177.584 -0.264 0.000 1.391 548 A CA 0.969 53.062 52.037 0.093 0.000 0.866 548 A CB -2.391 16.719 19.000 0.184 0.000 1.057 548 A HN 0.996 nan 8.150 nan 0.000 0.673 549 G N -0.384 108.030 108.800 -0.643 0.000 2.606 549 G HA2 0.512 4.472 3.960 -0.000 0.000 0.252 549 G HA3 0.512 4.472 3.960 -0.000 0.000 0.252 549 G C -1.806 172.777 174.900 -0.528 0.000 1.206 549 G CA -0.701 43.608 45.100 -1.319 0.000 0.861 549 G HN 0.421 nan 8.290 nan 0.000 0.561 550 P HA -0.009 nan 4.420 nan 0.000 0.261 550 P C 0.623 177.762 177.300 -0.269 0.000 1.183 550 P CA 0.317 63.129 63.100 -0.480 0.000 0.761 550 P CB 0.654 31.661 31.700 -1.154 0.000 0.785 551 C N 2.482 121.704 119.300 -0.130 0.000 4.456 551 C HA -0.138 4.322 4.460 -0.000 0.000 0.288 551 C C 0.969 175.968 174.990 0.017 0.000 1.374 551 C CA 1.076 59.988 59.018 -0.176 0.000 1.956 551 C CB -2.635 24.865 27.740 -0.401 0.000 1.255 551 C HN 0.817 nan 8.230 nan 0.000 0.788 552 S N -0.048 115.732 115.700 0.134 0.000 2.693 552 S HA 0.664 5.134 4.470 -0.000 0.000 0.276 552 S C -0.677 174.093 174.600 0.282 0.000 1.192 552 S CA -0.035 58.342 58.200 0.294 0.000 0.994 552 S CB 1.767 65.214 63.200 0.413 0.000 1.012 552 S HN 0.833 nan 8.310 nan 0.000 0.550 553 Q N -0.110 119.878 119.800 0.314 0.000 2.309 553 Q HA 0.358 4.698 4.340 -0.000 0.000 0.254 553 Q C -0.816 175.309 176.000 0.208 0.000 0.938 553 Q CA -0.570 55.403 55.803 0.283 0.000 0.789 553 Q CB 1.065 30.020 28.738 0.362 0.000 1.313 553 Q HN 0.674 nan 8.270 nan 0.000 0.438 554 K N 1.101 121.624 120.400 0.206 0.000 2.358 554 K HA 0.347 4.667 4.320 -0.000 0.000 0.200 554 K C -0.510 176.198 176.600 0.181 0.000 1.030 554 K CA 0.254 56.653 56.287 0.187 0.000 1.097 554 K CB 1.561 34.201 32.500 0.234 0.000 0.862 554 K HN 0.486 nan 8.250 nan 0.000 0.534 555 A N 2.578 125.510 122.820 0.186 0.000 2.328 555 A HA 0.443 4.763 4.320 -0.000 0.000 0.318 555 A C -0.841 176.812 177.584 0.115 0.000 1.347 555 A CA -0.601 51.547 52.037 0.186 0.000 0.842 555 A CB 0.213 19.382 19.000 0.281 0.000 1.148 555 A HN 0.222 nan 8.150 nan 0.000 0.499 556 D N -0.086 120.360 120.400 0.076 0.000 2.798 556 D HA 0.491 5.131 4.640 -0.000 0.000 0.308 556 D C 0.445 176.766 176.300 0.035 0.000 1.187 556 D CA 0.275 54.310 54.000 0.057 0.000 1.033 556 D CB 0.390 41.227 40.800 0.062 0.000 1.445 556 D HN 0.147 nan 8.370 nan 0.000 0.550 557 T N -2.345 112.249 114.554 0.067 0.000 3.186 557 T HA 0.341 4.691 4.350 -0.000 0.000 0.257 557 T C 0.306 174.981 174.700 -0.042 0.000 1.029 557 T CA -0.423 61.707 62.100 0.051 0.000 0.916 557 T CB -0.671 68.271 68.868 0.124 0.000 1.041 557 T HN 0.252 nan 8.240 nan 0.000 0.562 558 V N 2.482 122.270 119.914 -0.210 0.000 2.614 558 V HA 0.348 4.468 4.120 -0.000 0.000 0.291 558 V C 0.105 176.138 176.094 -0.101 0.000 1.049 558 V CA -1.000 61.129 62.300 -0.284 0.000 1.038 558 V CB 0.271 31.805 31.823 -0.482 0.000 0.980 558 V HN 0.566 nan 8.190 nan 0.000 0.481 559 F N 6.150 126.004 119.950 -0.161 0.000 2.427 559 F HA 0.550 5.077 4.527 -0.000 0.000 0.352 559 F C 0.510 176.254 175.800 -0.094 0.000 1.100 559 F CA -0.097 57.837 58.000 -0.111 0.000 1.191 559 F CB 0.260 39.205 39.000 -0.092 0.000 1.128 559 F HN 0.422 nan 8.300 nan 0.000 0.533 560 R N 5.702 125.717 120.500 -0.808 0.000 2.673 560 R HA 0.545 4.885 4.340 -0.000 0.000 0.281 560 R C -1.988 173.923 176.300 -0.649 0.000 0.991 560 R CA -1.210 54.577 56.100 -0.522 0.000 0.896 560 R CB 1.963 32.106 30.300 -0.262 0.000 1.201 560 R HN 0.457 nan 8.270 nan 0.000 0.457 561 L N 4.114 125.140 121.223 -0.329 0.000 2.384 561 L HA 0.346 4.686 4.340 -0.000 0.000 0.261 561 L C -0.789 176.068 176.870 -0.022 0.000 1.024 561 L CA -0.486 54.206 54.840 -0.248 0.000 0.899 561 L CB 0.408 42.449 42.059 -0.030 0.000 1.243 561 L HN 0.747 nan 8.230 nan 0.000 0.449 562 N N 0.019 118.628 118.700 -0.152 0.000 3.439 562 N HA 0.207 4.947 4.740 -0.000 0.000 0.343 562 N C 0.520 175.676 175.510 -0.589 0.000 1.597 562 N CA -0.756 52.091 53.050 -0.338 0.000 0.733 562 N CB -0.048 38.360 38.487 -0.133 0.000 1.973 562 N HN 0.169 nan 8.380 nan 0.000 0.646 563 W N 0.471 121.164 121.300 -1.010 0.000 2.363 563 W HA 0.160 4.820 4.660 -0.000 0.000 0.296 563 W C 2.098 178.561 176.519 -0.094 0.000 1.212 563 W CA 2.702 59.718 57.345 -0.548 0.000 1.260 563 W CB -1.010 28.272 29.460 -0.296 0.000 1.131 563 W HN 0.691 nan 8.180 nan 0.000 0.530 564 A N -0.489 122.302 122.820 -0.049 0.000 1.908 564 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 564 A C 1.964 179.436 177.584 -0.187 0.000 1.181 564 A CA 2.629 54.579 52.037 -0.144 0.000 0.627 564 A CB -1.345 17.647 19.000 -0.014 0.000 0.818 564 A HN 0.286 nan 8.150 nan 0.000 0.445 565 T N -1.049 113.411 114.554 -0.157 0.000 2.665 565 T HA -0.249 4.101 4.350 -0.000 0.000 0.268 565 T C 1.814 176.519 174.700 0.008 0.000 1.035 565 T CA 1.914 63.904 62.100 -0.184 0.000 1.151 565 T CB -0.532 68.089 68.868 -0.412 0.000 0.862 565 T HN 0.691 nan 8.240 nan 0.000 0.438 566 Y N 2.039 122.397 120.300 0.096 0.000 2.145 566 Y HA -0.020 4.530 4.550 -0.000 0.000 0.286 566 Y C 1.982 177.852 175.900 -0.050 0.000 1.145 566 Y CA 0.879 59.068 58.100 0.147 0.000 1.148 566 Y CB -0.812 37.727 38.460 0.131 0.000 0.981 566 Y HN 0.133 nan 8.280 nan 0.000 0.507 567 L N 0.229 120.954 121.223 -0.830 0.000 2.042 567 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 567 L C 2.812 179.410 176.870 -0.453 0.000 1.076 567 L CA 1.396 55.711 54.840 -0.875 0.000 0.749 567 L CB -1.001 40.611 42.059 -0.745 0.000 0.893 567 L HN 0.424 nan 8.230 nan 0.000 0.432 568 A N -1.209 121.430 122.820 -0.302 0.000 1.874 568 A HA -0.172 4.148 4.320 -0.000 0.000 0.214 568 A C 2.517 180.016 177.584 -0.142 0.000 1.189 568 A CA 1.667 53.584 52.037 -0.199 0.000 0.615 568 A CB -0.620 18.259 19.000 -0.202 0.000 0.830 568 A HN 0.330 nan 8.150 nan 0.000 0.443 569 S N -1.177 114.456 115.700 -0.112 0.000 2.355 569 S HA -0.120 4.350 4.470 -0.000 0.000 0.222 569 S C 2.003 176.600 174.600 -0.005 0.000 1.031 569 S CA 2.336 60.514 58.200 -0.036 0.000 0.993 569 S CB -0.392 62.844 63.200 0.060 0.000 0.859 569 S HN 0.573 nan 8.310 nan 0.000 0.453 570 T N 1.228 115.770 114.554 -0.020 0.000 2.953 570 T HA 0.167 4.517 4.350 -0.000 0.000 0.247 570 T C 1.427 176.101 174.700 -0.044 0.000 1.029 570 T CA 0.582 62.696 62.100 0.023 0.000 1.144 570 T CB -0.154 68.826 68.868 0.186 0.000 0.870 570 T HN 0.300 nan 8.240 nan 0.000 0.446 571 E N 1.391 121.474 120.200 -0.196 0.000 2.489 571 E HA 0.131 4.481 4.350 -0.000 0.000 0.193 571 E C -0.031 176.539 176.600 -0.050 0.000 1.057 571 E CA -0.048 56.273 56.400 -0.130 0.000 0.866 571 E CB -0.478 29.079 29.700 -0.239 0.000 0.916 571 E HN 0.530 nan 8.360 nan 0.000 0.500 572 N N 0.583 119.261 118.700 -0.035 0.000 2.725 572 N HA -0.192 4.548 4.740 -0.000 0.000 0.251 572 N C -0.866 174.710 175.510 0.111 0.000 1.031 572 N CA 0.296 53.391 53.050 0.074 0.000 0.720 572 N CB -1.191 37.381 38.487 0.142 0.000 0.930 572 N HN 0.220 nan 8.380 nan 0.000 0.543 573 I N 0.671 121.236 120.570 -0.009 0.000 2.412 573 I HA 0.383 4.553 4.170 -0.000 0.000 0.296 573 I C 0.549 176.632 176.117 -0.057 0.000 0.987 573 I CA -0.908 60.393 61.300 0.002 0.000 1.180 573 I CB 1.483 39.492 38.000 0.014 0.000 1.340 573 I HN 0.020 nan 8.210 nan 0.000 0.455 574 I N 6.056 126.603 120.570 -0.038 0.000 2.371 574 I HA 0.196 4.366 4.170 -0.000 0.000 0.290 574 I C -0.443 175.648 176.117 -0.044 0.000 1.028 574 I CA -0.497 60.730 61.300 -0.121 0.000 1.345 574 I CB 1.225 39.151 38.000 -0.123 0.000 1.407 574 I HN 0.187 nan 8.210 nan 0.000 0.501 575 V N 6.775 126.646 119.914 -0.072 0.000 2.334 575 V HA 0.593 4.713 4.120 -0.000 0.000 0.281 575 V C 0.349 176.455 176.094 0.020 0.000 1.016 575 V CA -0.388 61.926 62.300 0.023 0.000 0.832 575 V CB 1.118 32.949 31.823 0.013 0.000 0.999 575 V HN 0.844 nan 8.190 nan 0.000 0.439 576 A N 4.080 126.943 122.820 0.071 0.000 2.330 576 A HA 0.956 5.276 4.320 -0.000 0.000 0.329 576 A C -0.176 177.560 177.584 0.253 0.000 1.135 576 A CA -0.516 51.555 52.037 0.056 0.000 0.817 576 A CB 1.773 20.616 19.000 -0.261 0.000 1.269 576 A HN 0.664 nan 8.150 nan 0.000 0.469 577 S N -0.369 115.533 115.700 0.336 0.000 2.549 577 S HA 0.759 5.229 4.470 -0.000 0.000 0.280 577 S C -1.535 173.439 174.600 0.623 0.000 1.109 577 S CA -0.289 58.163 58.200 0.419 0.000 0.905 577 S CB 1.344 64.728 63.200 0.308 0.000 1.081 577 S HN 0.756 nan 8.310 nan 0.000 0.477 578 F N 1.800 122.000 119.950 0.416 0.000 2.561 578 F HA 0.453 4.980 4.527 -0.000 0.000 0.313 578 F C -1.520 174.496 175.800 0.360 0.000 1.126 578 F CA -0.750 57.518 58.000 0.446 0.000 0.918 578 F CB 1.498 40.728 39.000 0.382 0.000 1.199 578 F HN 0.396 nan 8.300 nan 0.000 0.444 579 D N 4.742 125.005 120.400 -0.229 0.000 2.467 579 D HA 0.355 4.995 4.640 -0.000 0.000 0.220 579 D C 0.377 176.482 176.300 -0.324 0.000 1.103 579 D CA 0.152 54.086 54.000 -0.109 0.000 0.886 579 D CB 1.418 42.274 40.800 0.092 0.000 1.025 579 D HN 0.758 nan 8.370 nan 0.000 0.514 580 G N 1.222 109.924 108.800 -0.164 0.000 2.695 580 G HA2 0.274 4.233 3.960 -0.000 0.000 0.213 580 G HA3 0.274 4.233 3.960 -0.000 0.000 0.213 580 G C 0.130 175.129 174.900 0.164 0.000 1.406 580 G CA -0.640 44.432 45.100 -0.046 0.000 1.049 580 G HN 0.241 nan 8.290 nan 0.000 0.573 581 R N -0.674 119.897 120.500 0.117 0.000 2.583 581 R HA 0.377 4.717 4.340 -0.000 0.000 0.274 581 R C 1.323 177.728 176.300 0.175 0.000 0.998 581 R CA 1.980 58.191 56.100 0.186 0.000 1.081 581 R CB 0.326 30.711 30.300 0.143 0.000 0.940 581 R HN 1.271 nan 8.270 nan 0.000 0.413 582 G N 1.235 110.125 108.800 0.151 0.000 2.234 582 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.235 582 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.235 582 G C 0.217 175.151 174.900 0.057 0.000 0.997 582 G CA 0.113 45.279 45.100 0.109 0.000 0.623 582 G HN 0.650 nan 8.290 nan 0.000 0.514 583 S N 0.787 116.534 115.700 0.079 0.000 2.576 583 S HA 0.508 4.978 4.470 -0.000 0.000 0.272 583 S C 0.992 175.573 174.600 -0.032 0.000 1.352 583 S CA 0.519 58.755 58.200 0.059 0.000 1.021 583 S CB 1.026 64.294 63.200 0.113 0.000 0.887 583 S HN 1.322 nan 8.310 nan 0.000 0.542 584 G N -0.248 108.487 108.800 -0.109 0.000 2.601 584 G HA2 0.521 4.481 3.960 -0.000 0.000 0.317 584 G HA3 0.521 4.481 3.960 -0.000 0.000 0.317 584 G C -1.085 173.635 174.900 -0.300 0.000 1.246 584 G CA -0.717 44.153 45.100 -0.385 0.000 1.012 584 G HN 0.790 nan 8.290 nan 0.000 0.494 585 Y N -2.361 117.930 120.300 -0.015 0.000 4.668 585 Y HA -0.215 4.335 4.550 -0.000 0.000 0.234 585 Y C 1.427 177.315 175.900 -0.020 0.000 1.056 585 Y CA 1.051 59.145 58.100 -0.011 0.000 2.025 585 Y CB -2.134 36.336 38.460 0.017 0.000 1.613 585 Y HN 0.546 nan 8.280 nan 0.000 0.653 586 Q N -0.189 119.608 119.800 -0.005 0.000 2.093 586 Q HA 0.500 4.840 4.340 -0.000 0.000 0.217 586 Q C 0.946 176.824 176.000 -0.204 0.000 0.785 586 Q CA 0.245 56.047 55.803 -0.002 0.000 1.038 586 Q CB 1.742 30.473 28.738 -0.012 0.000 1.190 586 Q HN 0.587 nan 8.270 nan 0.000 0.468 587 G N 0.779 109.329 108.800 -0.417 0.000 2.663 587 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.686 587 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.686 587 G C -0.551 173.967 174.900 -0.636 0.000 1.246 587 G CA -0.559 44.020 45.100 -0.869 0.000 0.795 587 G HN 0.083 nan 8.290 nan 0.000 0.627 588 D N -0.063 119.917 120.400 -0.701 0.000 2.219 588 D HA -0.049 4.591 4.640 -0.000 0.000 0.205 588 D C 2.200 178.206 176.300 -0.490 0.000 0.970 588 D CA 1.243 54.783 54.000 -0.767 0.000 0.851 588 D CB 0.041 40.310 40.800 -0.885 0.000 0.943 588 D HN 0.586 nan 8.370 nan 0.000 0.488 589 K N 0.469 120.645 120.400 -0.373 0.000 2.063 589 K HA -0.121 4.199 4.320 -0.000 0.000 0.208 589 K C 1.994 178.515 176.600 -0.131 0.000 1.048 589 K CA 0.924 57.088 56.287 -0.204 0.000 0.928 589 K CB -0.026 32.372 32.500 -0.169 0.000 0.713 589 K HN 0.129 nan 8.250 nan 0.000 0.442 590 I N 0.209 120.687 120.570 -0.154 0.000 2.339 590 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 590 I C 2.615 178.721 176.117 -0.018 0.000 1.096 590 I CA 0.709 61.988 61.300 -0.035 0.000 1.408 590 I CB -0.100 37.882 38.000 -0.031 0.000 1.092 590 I HN 0.277 nan 8.210 nan 0.000 0.423 591 M N 0.161 119.684 119.600 -0.130 0.000 2.132 591 M HA -0.219 4.261 4.480 -0.000 0.000 0.263 591 M C 1.797 178.148 176.300 0.086 0.000 1.065 591 M CA 1.981 57.238 55.300 -0.072 0.000 1.122 591 M CB -0.280 32.181 32.600 -0.231 0.000 1.365 591 M HN 0.257 nan 8.290 nan 0.000 0.411 592 H N -0.709 118.261 119.070 -0.167 0.000 2.533 592 H HA 0.203 4.759 4.556 -0.000 0.000 0.271 592 H C 1.776 177.117 175.328 0.023 0.000 1.000 592 H CA 0.064 56.025 56.048 -0.144 0.000 1.149 592 H CB 0.194 29.779 29.762 -0.294 0.000 1.375 592 H HN 0.524 nan 8.280 nan 0.000 0.582 593 A N 1.458 124.380 122.820 0.170 0.000 2.019 593 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 593 A C 2.036 179.819 177.584 0.331 0.000 1.164 593 A CA 0.992 53.145 52.037 0.194 0.000 0.644 593 A CB -0.581 18.496 19.000 0.128 0.000 0.805 593 A HN 0.571 nan 8.150 nan 0.000 0.449 594 I N -3.229 117.512 120.570 0.284 0.000 3.904 594 I HA 0.160 4.330 4.170 -0.000 0.000 0.333 594 I C 0.404 176.606 176.117 0.141 0.000 1.361 594 I CA -0.496 60.933 61.300 0.216 0.000 1.116 594 I CB -0.586 37.512 38.000 0.163 0.000 1.028 594 I HN 0.205 nan 8.210 nan 0.000 0.398 595 N N 3.111 121.934 118.700 0.204 0.000 2.294 595 N HA -0.112 4.628 4.740 -0.000 0.000 0.263 595 N C 0.264 175.801 175.510 0.045 0.000 1.281 595 N CA 0.421 53.584 53.050 0.189 0.000 0.846 595 N CB 0.327 38.886 38.487 0.120 0.000 1.061 595 N HN 0.415 nan 8.380 nan 0.000 0.478 596 R N 0.308 120.813 120.500 0.008 0.000 4.023 596 R HA -0.207 4.133 4.340 -0.000 0.000 0.368 596 R C -0.166 176.013 176.300 -0.201 0.000 1.187 596 R CA 0.936 56.994 56.100 -0.069 0.000 1.089 596 R CB -0.850 29.423 30.300 -0.045 0.000 1.574 596 R HN 0.536 nan 8.270 nan 0.000 0.564 597 R N 0.927 121.310 120.500 -0.195 0.000 2.772 597 R HA 0.350 4.690 4.340 -0.000 0.000 0.358 597 R C -0.549 175.722 176.300 -0.048 0.000 1.143 597 R CA -0.243 55.630 56.100 -0.378 0.000 1.153 597 R CB 0.424 30.494 30.300 -0.383 0.000 1.329 597 R HN 0.095 nan 8.270 nan 0.000 0.615 598 L N -0.348 120.915 121.223 0.068 0.000 2.461 598 L HA 0.232 4.572 4.340 -0.000 0.000 0.272 598 L C 1.254 178.344 176.870 0.366 0.000 1.197 598 L CA 0.906 55.815 54.840 0.116 0.000 0.836 598 L CB 0.619 42.522 42.059 -0.261 0.000 1.105 598 L HN 0.685 nan 8.230 nan 0.000 0.477 599 G N 1.007 110.057 108.800 0.418 0.000 2.137 599 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.237 599 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.237 599 G C 0.405 175.384 174.900 0.131 0.000 1.002 599 G CA 0.519 45.817 45.100 0.330 0.000 0.702 599 G HN 0.845 nan 8.290 nan 0.000 0.515 600 T N -3.700 110.893 114.554 0.066 0.000 3.257 600 T HA 0.478 4.828 4.350 -0.000 0.000 0.176 600 T C 1.639 176.314 174.700 -0.041 0.000 0.892 600 T CA 0.921 62.958 62.100 -0.106 0.000 1.147 600 T CB -0.007 68.611 68.868 -0.418 0.000 1.840 600 T HN 0.148 nan 8.240 nan 0.000 0.375 601 F N 3.457 123.450 119.950 0.072 0.000 2.134 601 F HA 0.077 4.604 4.527 -0.000 0.000 0.299 601 F C 2.833 178.674 175.800 0.068 0.000 1.097 601 F CA 1.281 59.314 58.000 0.055 0.000 1.264 601 F CB -0.737 38.293 39.000 0.050 0.000 1.001 601 F HN 0.517 nan 8.300 nan 0.000 0.479 602 E N 1.119 121.484 120.200 0.275 0.000 2.204 602 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 602 E C 2.234 178.947 176.600 0.189 0.000 0.990 602 E CA 1.655 58.190 56.400 0.225 0.000 0.821 602 E CB -1.138 28.693 29.700 0.219 0.000 0.750 602 E HN 0.379 nan 8.360 nan 0.000 0.477 603 V N 0.182 120.180 119.914 0.140 0.000 2.535 603 V HA -0.079 4.041 4.120 -0.000 0.000 0.246 603 V C 1.992 178.123 176.094 0.062 0.000 1.045 603 V CA 1.554 63.892 62.300 0.063 0.000 1.058 603 V CB -0.199 31.604 31.823 -0.032 0.000 0.689 603 V HN 0.096 nan 8.190 nan 0.000 0.461 604 E N 0.232 120.486 120.200 0.090 0.000 2.077 604 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 604 E C 1.890 178.528 176.600 0.062 0.000 0.989 604 E CA 1.744 58.194 56.400 0.083 0.000 0.800 604 E CB -0.171 29.614 29.700 0.141 0.000 0.746 604 E HN 0.641 nan 8.360 nan 0.000 0.452 605 D N 0.171 120.627 120.400 0.094 0.000 2.219 605 D HA -0.134 4.506 4.640 -0.000 0.000 0.205 605 D C 1.870 178.187 176.300 0.029 0.000 0.970 605 D CA 0.774 54.812 54.000 0.062 0.000 0.851 605 D CB -0.086 40.810 40.800 0.161 0.000 0.943 605 D HN 0.015 nan 8.370 nan 0.000 0.488 606 Q N 0.166 120.034 119.800 0.113 0.000 2.119 606 Q HA 0.037 4.377 4.340 -0.000 0.000 0.201 606 Q C 2.080 178.130 176.000 0.083 0.000 0.972 606 Q CA 0.740 56.618 55.803 0.125 0.000 0.847 606 Q CB -0.109 28.713 28.738 0.139 0.000 0.903 606 Q HN 0.337 nan 8.270 nan 0.000 0.433 607 I N -0.120 120.503 120.570 0.087 0.000 2.286 607 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 607 I C 2.096 178.196 176.117 -0.028 0.000 1.104 607 I CA 1.192 62.595 61.300 0.172 0.000 1.397 607 I CB -0.220 37.862 38.000 0.137 0.000 1.072 607 I HN 0.209 nan 8.210 nan 0.000 0.417 608 E N 1.664 121.783 120.200 -0.135 0.000 2.110 608 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 608 E C 2.077 178.389 176.600 -0.480 0.000 0.988 608 E CA 1.581 57.830 56.400 -0.250 0.000 0.804 608 E CB -0.135 29.430 29.700 -0.224 0.000 0.745 608 E HN 0.404 nan 8.360 nan 0.000 0.458 609 A N 0.927 123.320 122.820 -0.711 0.000 1.883 609 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 609 A C 2.489 179.411 177.584 -1.103 0.000 1.186 609 A CA 2.307 53.592 52.037 -1.253 0.000 0.624 609 A CB -1.182 16.972 19.000 -1.411 0.000 0.822 609 A HN 0.399 nan 8.150 nan 0.000 0.444 610 A N -0.703 121.843 122.820 -0.455 0.000 1.933 610 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 610 A C 2.241 179.654 177.584 -0.285 0.000 1.175 610 A CA 1.709 53.626 52.037 -0.200 0.000 0.628 610 A CB -0.458 18.459 19.000 -0.138 0.000 0.814 610 A HN 0.540 nan 8.150 nan 0.000 0.444 611 R N -0.918 119.390 120.500 -0.321 0.000 2.081 611 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 611 R C 2.422 178.554 176.300 -0.280 0.000 1.131 611 R CA 1.487 57.431 56.100 -0.260 0.000 0.960 611 R CB -0.155 30.014 30.300 -0.218 0.000 0.856 611 R HN 0.558 nan 8.270 nan 0.000 0.436 612 Q N -0.616 118.933 119.800 -0.419 0.000 2.119 612 Q HA -0.123 4.217 4.340 -0.000 0.000 0.201 612 Q C 1.960 177.783 176.000 -0.296 0.000 0.972 612 Q CA 1.253 56.821 55.803 -0.393 0.000 0.847 612 Q CB -0.105 28.314 28.738 -0.532 0.000 0.903 612 Q HN 0.283 nan 8.270 nan 0.000 0.433 613 F N 1.348 121.139 119.950 -0.264 0.000 2.113 613 F HA -0.154 4.373 4.527 -0.000 0.000 0.297 613 F C 2.774 178.392 175.800 -0.304 0.000 1.103 613 F CA 1.227 59.069 58.000 -0.263 0.000 1.248 613 F CB -1.383 37.516 39.000 -0.168 0.000 0.999 613 F HN 0.092 nan 8.300 nan 0.000 0.475 614 S N -0.041 115.621 115.700 -0.063 0.000 2.368 614 S HA -0.169 4.301 4.470 -0.000 0.000 0.225 614 S C 1.785 176.272 174.600 -0.189 0.000 1.030 614 S CA 0.945 59.066 58.200 -0.132 0.000 0.999 614 S CB -0.468 62.657 63.200 -0.126 0.000 0.844 614 S HN 0.149 nan 8.310 nan 0.000 0.459 615 K N 0.798 121.093 120.400 -0.176 0.000 2.589 615 K HA 0.273 4.593 4.320 -0.000 0.000 0.192 615 K C 1.349 177.834 176.600 -0.192 0.000 1.029 615 K CA 0.249 56.439 56.287 -0.163 0.000 1.031 615 K CB -0.484 31.935 32.500 -0.135 0.000 0.821 615 K HN 0.554 nan 8.250 nan 0.000 0.502 616 M N -1.215 118.207 119.600 -0.296 0.000 2.541 616 M HA -0.006 4.474 4.480 -0.000 0.000 0.252 616 M C 1.129 177.140 176.300 -0.480 0.000 1.125 616 M CA 0.793 55.865 55.300 -0.381 0.000 1.091 616 M CB 0.293 32.572 32.600 -0.534 0.000 1.420 616 M HN 0.411 nan 8.290 nan 0.000 0.486 617 G N 0.795 109.338 108.800 -0.428 0.000 2.345 617 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.218 617 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.218 617 G C 0.422 175.216 174.900 -0.176 0.000 1.058 617 G CA 0.208 45.157 45.100 -0.253 0.000 0.632 617 G HN 0.526 nan 8.290 nan 0.000 0.508 618 F N 1.409 121.413 119.950 0.090 0.000 2.663 618 F HA 0.772 5.299 4.527 -0.000 0.000 0.299 618 F C 0.149 176.061 175.800 0.188 0.000 1.143 618 F CA -1.385 56.704 58.000 0.148 0.000 1.387 618 F CB -0.012 39.128 39.000 0.232 0.000 1.019 618 F HN 0.098 nan 8.300 nan 0.000 0.523 619 V N 1.272 121.219 119.914 0.055 0.000 2.487 619 V HA 0.197 4.317 4.120 -0.000 0.000 0.298 619 V C -0.704 175.391 176.094 0.000 0.000 1.028 619 V CA -0.852 61.496 62.300 0.081 0.000 0.860 619 V CB 1.679 33.503 31.823 0.002 0.000 0.991 619 V HN 0.104 nan 8.190 nan 0.000 0.427 620 D N 4.316 124.710 120.400 -0.010 0.000 2.359 620 D HA 0.023 4.663 4.640 -0.000 0.000 0.250 620 D C 1.323 177.580 176.300 -0.072 0.000 1.264 620 D CA -0.188 53.775 54.000 -0.062 0.000 0.911 620 D CB 0.637 41.376 40.800 -0.102 0.000 1.056 620 D HN 0.639 nan 8.370 nan 0.000 0.499 621 N N 3.599 122.258 118.700 -0.068 0.000 2.573 621 N HA -0.171 4.569 4.740 -0.000 0.000 0.187 621 N C 0.774 176.249 175.510 -0.059 0.000 1.107 621 N CA 0.562 53.566 53.050 -0.077 0.000 0.918 621 N CB 0.007 38.443 38.487 -0.085 0.000 0.966 621 N HN 0.387 nan 8.380 nan 0.000 0.448 622 K N -0.106 120.267 120.400 -0.045 0.000 2.400 622 K HA 0.172 4.492 4.320 -0.000 0.000 0.194 622 K C 0.208 176.819 176.600 0.018 0.000 1.033 622 K CA 0.203 56.480 56.287 -0.016 0.000 1.021 622 K CB 0.391 32.881 32.500 -0.017 0.000 0.808 622 K HN 0.132 nan 8.250 nan 0.000 0.505 623 R N 1.157 121.646 120.500 -0.018 0.000 2.629 623 R HA 0.343 4.683 4.340 -0.000 0.000 0.277 623 R C -1.067 175.253 176.300 0.034 0.000 1.637 623 R CA -0.133 55.974 56.100 0.012 0.000 1.663 623 R CB 0.711 30.841 30.300 -0.284 0.000 1.228 623 R HN -0.013 nan 8.270 nan 0.000 0.632 624 I N 1.331 122.020 120.570 0.199 0.000 2.389 624 I HA 0.526 4.696 4.170 -0.000 0.000 0.288 624 I C -0.031 176.357 176.117 0.451 0.000 0.999 624 I CA -0.729 60.703 61.300 0.221 0.000 1.129 624 I CB 1.884 39.838 38.000 -0.076 0.000 1.288 624 I HN 0.343 nan 8.210 nan 0.000 0.444 625 A N 7.206 130.399 122.820 0.622 0.000 2.346 625 A HA 0.928 5.248 4.320 -0.000 0.000 0.313 625 A C -1.050 176.903 177.584 0.615 0.000 1.140 625 A CA -0.658 51.717 52.037 0.563 0.000 0.826 625 A CB 2.079 21.259 19.000 0.299 0.000 1.332 625 A HN 0.735 nan 8.150 nan 0.000 0.457 626 I N 0.446 121.302 120.570 0.476 0.000 2.752 626 I HA 0.687 4.857 4.170 -0.000 0.000 0.295 626 I C -2.001 174.379 176.117 0.437 0.000 1.219 626 I CA -0.571 60.947 61.300 0.362 0.000 1.030 626 I CB 1.648 39.605 38.000 -0.071 0.000 1.259 626 I HN 0.933 nan 8.210 nan 0.000 0.423 627 W N 7.107 128.546 121.300 0.232 0.000 3.213 627 W HA 0.840 5.500 4.660 -0.000 0.000 0.318 627 W C -1.527 175.152 176.519 0.266 0.000 1.248 627 W CA -1.038 56.453 57.345 0.245 0.000 1.187 627 W CB 1.098 30.751 29.460 0.321 0.000 1.403 627 W HN 0.814 nan 8.180 nan 0.000 0.556 628 G N 1.254 109.996 108.800 -0.097 0.000 2.677 628 G HA2 0.537 4.497 3.960 -0.000 0.000 0.291 628 G HA3 0.537 4.497 3.960 -0.000 0.000 0.291 628 G C -2.770 172.090 174.900 -0.067 0.000 1.435 628 G CA -0.673 44.236 45.100 -0.318 0.000 0.826 628 G HN 0.596 nan 8.290 nan 0.000 0.491 629 W N 0.898 122.084 121.300 -0.190 0.000 2.736 629 W HA 0.619 5.278 4.660 -0.000 0.000 0.335 629 W C 0.743 177.319 176.519 0.096 0.000 1.059 629 W CA 0.254 57.580 57.345 -0.032 0.000 1.226 629 W CB 1.898 31.338 29.460 -0.034 0.000 1.416 629 W HN 1.162 nan 8.180 nan 0.000 0.505 630 S N 2.329 118.343 115.700 0.523 0.000 4.116 630 S HA -0.426 4.044 4.470 -0.000 0.000 0.623 630 S C 1.090 175.831 174.600 0.235 0.000 1.933 630 S CA 1.748 60.251 58.200 0.506 0.000 4.224 630 S CB -1.826 61.812 63.200 0.730 0.000 0.208 630 S HN 0.748 nan 8.310 nan 0.000 0.527 631 Y N 2.368 122.690 120.300 0.038 0.000 2.207 631 Y HA 0.035 4.585 4.550 -0.000 0.000 0.287 631 Y C 2.358 178.191 175.900 -0.113 0.000 1.156 631 Y CA 2.541 60.552 58.100 -0.148 0.000 1.182 631 Y CB -1.029 37.130 38.460 -0.503 0.000 0.979 631 Y HN 0.526 nan 8.280 nan 0.000 0.521 632 G N -1.090 107.751 108.800 0.068 0.000 2.443 632 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.219 632 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.219 632 G C 1.877 176.824 174.900 0.078 0.000 1.131 632 G CA 0.696 45.859 45.100 0.105 0.000 0.775 632 G HN 0.576 nan 8.290 nan 0.000 0.547 633 G N -0.185 108.673 108.800 0.097 0.000 2.403 633 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.216 633 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.216 633 G C 1.560 176.496 174.900 0.060 0.000 1.154 633 G CA 1.003 46.145 45.100 0.071 0.000 0.784 633 G HN 0.411 nan 8.290 nan 0.000 0.538 634 Y N 1.433 121.647 120.300 -0.143 0.000 2.133 634 Y HA -0.096 4.454 4.550 -0.000 0.000 0.287 634 Y C 2.740 178.556 175.900 -0.140 0.000 1.134 634 Y CA 1.548 59.510 58.100 -0.230 0.000 1.133 634 Y CB -0.518 37.650 38.460 -0.486 0.000 0.987 634 Y HN 0.017 nan 8.280 nan 0.000 0.502 635 V N -0.089 119.690 119.914 -0.225 0.000 2.343 635 V HA -0.338 3.782 4.120 -0.000 0.000 0.247 635 V C 2.332 178.312 176.094 -0.190 0.000 1.051 635 V CA 2.471 64.629 62.300 -0.237 0.000 1.036 635 V CB -1.249 30.590 31.823 0.027 0.000 0.654 635 V HN 0.505 nan 8.190 nan 0.000 0.451 636 T N -0.136 114.366 114.554 -0.087 0.000 2.684 636 T HA -0.209 4.140 4.350 -0.000 0.000 0.267 636 T C 2.136 176.781 174.700 -0.092 0.000 1.036 636 T CA 2.043 64.104 62.100 -0.065 0.000 1.148 636 T CB -0.285 68.622 68.868 0.065 0.000 0.863 636 T HN 0.522 nan 8.240 nan 0.000 0.436 637 S N 0.950 116.627 115.700 -0.040 0.000 2.368 637 S HA -0.012 4.458 4.470 -0.000 0.000 0.224 637 S C 2.143 176.660 174.600 -0.138 0.000 1.029 637 S CA 0.900 59.097 58.200 -0.004 0.000 0.988 637 S CB -0.273 62.975 63.200 0.081 0.000 0.838 637 S HN 0.306 nan 8.310 nan 0.000 0.462 638 M N 0.958 120.392 119.600 -0.277 0.000 2.117 638 M HA -0.036 4.444 4.480 -0.000 0.000 0.262 638 M C 2.221 178.359 176.300 -0.271 0.000 1.065 638 M CA 1.093 56.208 55.300 -0.309 0.000 1.114 638 M CB -1.462 30.849 32.600 -0.481 0.000 1.361 638 M HN 0.173 nan 8.290 nan 0.000 0.408 639 V N 0.663 120.408 119.914 -0.282 0.000 2.261 639 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 639 V C 2.531 178.418 176.094 -0.346 0.000 1.047 639 V CA 1.442 63.565 62.300 -0.295 0.000 1.015 639 V CB -0.627 30.945 31.823 -0.417 0.000 0.642 639 V HN 0.407 nan 8.190 nan 0.000 0.446 640 L N 0.351 121.314 121.223 -0.433 0.000 2.187 640 L HA -0.093 4.247 4.340 -0.000 0.000 0.213 640 L C 2.153 178.480 176.870 -0.905 0.000 1.100 640 L CA 1.530 56.025 54.840 -0.576 0.000 0.765 640 L CB -0.723 40.974 42.059 -0.604 0.000 0.904 640 L HN 0.499 nan 8.230 nan 0.000 0.437 641 G N -1.504 106.777 108.800 -0.866 0.000 3.284 641 G HA2 -0.013 3.946 3.960 -0.000 0.000 0.236 641 G HA3 -0.013 3.946 3.960 -0.000 0.000 0.236 641 G C 1.440 176.164 174.900 -0.293 0.000 1.158 641 G CA 0.545 45.221 45.100 -0.706 0.000 0.774 641 G HN 0.421 nan 8.290 nan 0.000 0.545 642 S N -0.684 114.869 115.700 -0.245 0.000 2.470 642 S HA 0.297 4.767 4.470 -0.000 0.000 0.225 642 S C 1.931 176.479 174.600 -0.088 0.000 1.006 642 S CA 1.032 59.155 58.200 -0.127 0.000 0.934 642 S CB -0.098 63.046 63.200 -0.094 0.000 0.778 642 S HN 1.359 nan 8.310 nan 0.000 0.517 643 G N 1.454 110.191 108.800 -0.105 0.000 2.147 643 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.244 643 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.244 643 G C 0.903 175.790 174.900 -0.022 0.000 1.005 643 G CA 0.871 45.935 45.100 -0.060 0.000 0.713 643 G HN 1.287 nan 8.290 nan 0.000 0.515 644 S N -0.722 114.978 115.700 0.001 0.000 2.447 644 S HA 0.296 4.766 4.470 -0.000 0.000 0.233 644 S C 2.546 177.158 174.600 0.020 0.000 1.006 644 S CA 1.562 59.777 58.200 0.026 0.000 0.957 644 S CB -0.232 63.016 63.200 0.080 0.000 0.773 644 S HN 2.396 nan 8.310 nan 0.000 0.507 645 G N 0.126 108.943 108.800 0.029 0.000 2.189 645 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.267 645 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.267 645 G C 0.753 175.648 174.900 -0.008 0.000 0.975 645 G CA 0.474 45.582 45.100 0.014 0.000 0.644 645 G HN 0.689 nan 8.290 nan 0.000 0.537 646 V N -0.647 119.256 119.914 -0.017 0.000 2.591 646 V HA 0.269 4.389 4.120 -0.000 0.000 0.249 646 V C 1.148 177.018 176.094 -0.373 0.000 1.053 646 V CA 1.445 63.605 62.300 -0.233 0.000 1.068 646 V CB -0.337 31.255 31.823 -0.386 0.000 0.689 646 V HN 0.298 nan 8.190 nan 0.000 0.462 647 F N -0.070 119.896 119.950 0.027 0.000 2.443 647 F HA 0.424 4.951 4.527 -0.000 0.000 0.335 647 F C 1.058 176.903 175.800 0.074 0.000 1.104 647 F CA -0.726 57.316 58.000 0.070 0.000 1.013 647 F CB 1.443 40.488 39.000 0.076 0.000 1.136 647 F HN -0.253 nan 8.300 nan 0.000 0.470 648 K N 1.585 122.141 120.400 0.260 0.000 2.098 648 K HA 0.083 4.402 4.320 -0.000 0.000 0.203 648 K C 0.020 176.744 176.600 0.208 0.000 1.051 648 K CA 1.024 57.426 56.287 0.193 0.000 0.957 648 K CB 0.232 32.840 32.500 0.182 0.000 0.738 648 K HN 0.810 nan 8.250 nan 0.000 0.447 649 c N -2.559 116.198 118.600 0.262 0.000 3.323 649 c HA 0.928 5.498 4.570 -0.000 0.000 0.324 649 c C -0.161 174.162 174.090 0.388 0.000 1.428 649 c CA -0.584 55.928 56.329 0.304 0.000 1.368 649 c CB 1.097 43.699 42.510 0.153 0.000 1.731 649 c HN 0.386 nan 8.230 nan 0.000 0.455 650 G N -0.083 109.026 108.800 0.516 0.000 2.632 650 G HA2 0.675 4.635 3.960 -0.000 0.000 0.292 650 G HA3 0.675 4.635 3.960 -0.000 0.000 0.292 650 G C -1.964 173.177 174.900 0.401 0.000 1.465 650 G CA -0.659 44.709 45.100 0.446 0.000 0.824 650 G HN 0.976 nan 8.290 nan 0.000 0.509 651 I N 0.746 121.523 120.570 0.344 0.000 2.466 651 I HA 0.637 4.807 4.170 -0.000 0.000 0.289 651 I C 0.166 176.426 176.117 0.239 0.000 1.026 651 I CA -1.003 60.389 61.300 0.153 0.000 1.078 651 I CB 2.264 40.334 38.000 0.117 0.000 1.249 651 I HN 0.664 nan 8.210 nan 0.000 0.429 652 A N 6.410 129.275 122.820 0.074 0.000 2.304 652 A HA 0.780 5.099 4.320 -0.000 0.000 0.314 652 A C -0.784 176.740 177.584 -0.101 0.000 1.187 652 A CA -0.516 51.567 52.037 0.076 0.000 0.810 652 A CB 1.187 20.301 19.000 0.191 0.000 1.183 652 A HN 0.443 nan 8.150 nan 0.000 0.487 653 V N 2.108 121.913 119.914 -0.182 0.000 2.384 653 V HA 0.572 4.692 4.120 -0.000 0.000 0.287 653 V C 0.938 176.680 176.094 -0.586 0.000 1.020 653 V CA 0.303 62.275 62.300 -0.547 0.000 0.850 653 V CB 0.771 31.942 31.823 -1.087 0.000 0.987 653 V HN 2.111 nan 8.190 nan 0.000 0.436 654 A N 5.614 128.071 122.820 -0.605 0.000 2.511 654 A HA -0.105 4.215 4.320 -0.000 0.000 0.297 654 A C -1.713 175.793 177.584 -0.130 0.000 1.476 654 A CA 0.475 52.088 52.037 -0.708 0.000 0.757 654 A CB -1.533 17.164 19.000 -0.505 0.000 1.072 654 A HN 0.625 nan 8.150 nan 0.000 0.413 655 P HA 0.434 nan 4.420 nan 0.000 0.281 655 P C 0.094 177.376 177.300 -0.031 0.000 1.249 655 P CA -0.226 62.880 63.100 0.011 0.000 0.810 655 P CB 1.484 33.207 31.700 0.037 0.000 1.008 656 V N 2.435 122.224 119.914 -0.209 0.000 2.649 656 V HA 0.081 4.201 4.120 -0.000 0.000 0.292 656 V C 1.734 177.625 176.094 -0.339 0.000 1.055 656 V CA 0.843 62.868 62.300 -0.457 0.000 1.023 656 V CB 0.922 32.081 31.823 -1.105 0.000 0.992 656 V HN 0.829 nan 8.190 nan 0.000 0.480 657 S N 4.226 119.766 115.700 -0.267 0.000 2.524 657 S HA 0.247 4.717 4.470 -0.000 0.000 0.222 657 S C 0.439 174.867 174.600 -0.286 0.000 1.040 657 S CA -0.366 57.743 58.200 -0.152 0.000 0.915 657 S CB 0.304 63.477 63.200 -0.044 0.000 0.831 657 S HN 0.847 nan 8.310 nan 0.000 0.492 658 R N -1.327 118.882 120.500 -0.485 0.000 2.536 658 R HA 0.437 4.777 4.340 -0.000 0.000 0.269 658 R C -0.951 175.023 176.300 -0.544 0.000 1.113 658 R CA -0.894 54.872 56.100 -0.556 0.000 0.948 658 R CB -0.292 29.654 30.300 -0.590 0.000 1.237 658 R HN 0.124 nan 8.270 nan 0.000 0.441 659 W N 1.480 122.694 121.300 -0.143 0.000 2.387 659 W HA -0.048 4.612 4.660 -0.000 0.000 0.272 659 W C 1.069 177.728 176.519 0.233 0.000 1.224 659 W CA 0.957 58.317 57.345 0.024 0.000 1.210 659 W CB 0.181 29.582 29.460 -0.099 0.000 1.125 659 W HN 0.709 nan 8.180 nan 0.000 0.572 660 E N -1.010 119.366 120.200 0.294 0.000 2.472 660 E HA -0.174 4.176 4.350 -0.000 0.000 0.200 660 E C 1.230 177.984 176.600 0.256 0.000 1.046 660 E CA 0.649 57.166 56.400 0.196 0.000 0.871 660 E CB -0.195 29.510 29.700 0.008 0.000 0.806 660 E HN 0.373 nan 8.360 nan 0.000 0.533 661 Y N -1.376 119.009 120.300 0.142 0.000 2.503 661 Y HA 0.059 4.609 4.550 -0.000 0.000 0.278 661 Y C 0.780 176.774 175.900 0.157 0.000 1.111 661 Y CA -0.313 57.841 58.100 0.090 0.000 1.270 661 Y CB -0.296 38.159 38.460 -0.008 0.000 1.063 661 Y HN 0.012 nan 8.280 nan 0.000 0.548 662 Y N 1.999 122.445 120.300 0.244 0.000 2.334 662 Y HA 0.265 4.815 4.550 -0.000 0.000 0.325 662 Y C 0.350 176.460 175.900 0.350 0.000 1.308 662 Y CA -1.972 56.278 58.100 0.250 0.000 1.389 662 Y CB 0.290 38.918 38.460 0.279 0.000 1.328 662 Y HN 0.193 nan 8.280 nan 0.000 0.532 663 D N -0.517 119.673 120.400 -0.350 0.000 2.382 663 D HA 0.086 4.726 4.640 -0.000 0.000 0.240 663 D C 0.969 177.251 176.300 -0.030 0.000 1.146 663 D CA 0.387 54.202 54.000 -0.307 0.000 0.897 663 D CB 0.877 41.239 40.800 -0.729 0.000 1.197 663 D HN 0.484 nan 8.370 nan 0.000 0.432 664 S N 1.284 116.973 115.700 -0.018 0.000 2.353 664 S HA -0.239 4.231 4.470 -0.000 0.000 0.222 664 S C 1.952 176.568 174.600 0.028 0.000 1.035 664 S CA 1.254 59.490 58.200 0.059 0.000 1.025 664 S CB -1.080 62.160 63.200 0.067 0.000 0.902 664 S HN 0.441 nan 8.310 nan 0.000 0.440 665 V N 0.787 120.651 119.914 -0.084 0.000 2.332 665 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 665 V C 2.318 178.310 176.094 -0.170 0.000 1.055 665 V CA 2.302 64.456 62.300 -0.243 0.000 1.038 665 V CB -1.109 30.404 31.823 -0.518 0.000 0.651 665 V HN 0.636 nan 8.190 nan 0.000 0.450 666 Y N 1.110 121.332 120.300 -0.130 0.000 2.176 666 Y HA -0.154 4.396 4.550 -0.000 0.000 0.291 666 Y C 2.699 178.594 175.900 -0.009 0.000 1.122 666 Y CA 2.094 60.189 58.100 -0.008 0.000 1.128 666 Y CB -0.509 38.126 38.460 0.292 0.000 1.005 666 Y HN 0.190 nan 8.280 nan 0.000 0.509 667 T N 0.510 115.285 114.554 0.369 0.000 2.674 667 T HA -0.206 4.144 4.350 -0.000 0.000 0.265 667 T C 1.575 176.253 174.700 -0.037 0.000 1.039 667 T CA 2.007 64.254 62.100 0.245 0.000 1.150 667 T CB -0.335 68.834 68.868 0.502 0.000 0.864 667 T HN 0.420 nan 8.240 nan 0.000 0.427 668 E N 0.523 120.732 120.200 0.016 0.000 2.153 668 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 668 E C 2.335 178.813 176.600 -0.202 0.000 0.988 668 E CA 0.622 57.019 56.400 -0.005 0.000 0.811 668 E CB -0.139 29.599 29.700 0.063 0.000 0.746 668 E HN 0.321 nan 8.360 nan 0.000 0.466 669 R N -0.040 120.181 120.500 -0.465 0.000 2.127 669 R HA -0.196 4.144 4.340 -0.000 0.000 0.238 669 R C 1.124 176.879 176.300 -0.907 0.000 1.134 669 R CA 1.589 57.221 56.100 -0.780 0.000 0.975 669 R CB 0.012 29.529 30.300 -1.305 0.000 0.865 669 R HN 0.251 nan 8.270 nan 0.000 0.447 670 Y N -2.519 117.471 120.300 -0.516 0.000 2.498 670 Y HA 0.259 4.809 4.550 -0.000 0.000 0.259 670 Y C 1.531 177.238 175.900 -0.321 0.000 1.086 670 Y CA -0.109 57.685 58.100 -0.509 0.000 1.287 670 Y CB 0.528 38.550 38.460 -0.729 0.000 1.146 670 Y HN -0.048 nan 8.280 nan 0.000 0.523 671 M N -0.311 119.176 119.600 -0.189 0.000 2.313 671 M HA 0.382 4.862 4.480 -0.000 0.000 0.273 671 M C 1.024 177.345 176.300 0.035 0.000 1.049 671 M CA 0.733 55.924 55.300 -0.182 0.000 1.004 671 M CB -0.125 32.159 32.600 -0.527 0.000 1.461 671 M HN 0.340 nan 8.290 nan 0.000 0.514 672 G N 1.958 110.790 108.800 0.054 0.000 2.645 672 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.246 672 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.246 672 G C -0.812 174.222 174.900 0.224 0.000 1.322 672 G CA -0.791 44.378 45.100 0.114 0.000 0.898 672 G HN 0.250 nan 8.290 nan 0.000 0.573 673 L N 2.529 123.848 121.223 0.161 0.000 2.312 673 L HA 0.506 4.846 4.340 -0.000 0.000 0.281 673 L C -1.268 175.594 176.870 -0.014 0.000 1.070 673 L CA -1.714 53.172 54.840 0.077 0.000 0.805 673 L CB 1.384 43.457 42.059 0.023 0.000 1.174 673 L HN 0.433 nan 8.230 nan 0.000 0.434 674 P HA 0.078 nan 4.420 nan 0.000 0.225 674 P C -0.698 176.455 177.300 -0.244 0.000 1.768 674 P CA -0.145 62.554 63.100 -0.667 0.000 0.943 674 P CB -0.492 30.526 31.700 -1.137 0.000 1.936 675 T N -2.868 111.630 114.554 -0.093 0.000 2.887 675 T HA 0.431 4.781 4.350 -0.000 0.000 0.288 675 T C -1.932 172.768 174.700 -0.001 0.000 1.021 675 T CA -2.466 59.609 62.100 -0.042 0.000 1.000 675 T CB 2.091 70.944 68.868 -0.024 0.000 1.034 675 T HN -0.198 nan 8.240 nan 0.000 0.467 676 P HA -0.121 nan 4.420 nan 0.000 0.218 676 P C 0.695 178.009 177.300 0.024 0.000 1.146 676 P CA 1.234 64.345 63.100 0.019 0.000 0.813 676 P CB 0.200 31.907 31.700 0.012 0.000 0.778 677 E N -0.921 119.290 120.200 0.017 0.000 2.358 677 E HA -0.065 4.285 4.350 -0.000 0.000 0.195 677 E C 1.552 178.169 176.600 0.027 0.000 1.010 677 E CA 0.688 57.099 56.400 0.018 0.000 0.856 677 E CB -0.347 29.359 29.700 0.010 0.000 0.795 677 E HN 0.327 nan 8.360 nan 0.000 0.504 678 D N -0.416 120.007 120.400 0.038 0.000 2.931 678 D HA 0.097 4.737 4.640 -0.000 0.000 0.241 678 D C 0.289 176.644 176.300 0.091 0.000 1.494 678 D CA 0.164 54.198 54.000 0.057 0.000 1.260 678 D CB -0.015 40.822 40.800 0.060 0.000 0.953 678 D HN 0.019 nan 8.370 nan 0.000 0.240 679 N N 0.006 118.795 118.700 0.149 0.000 2.305 679 N HA 0.047 4.787 4.740 -0.000 0.000 0.248 679 N C 1.247 176.960 175.510 0.338 0.000 1.290 679 N CA -0.115 53.072 53.050 0.228 0.000 0.873 679 N CB 0.835 39.478 38.487 0.259 0.000 1.261 679 N HN -0.009 nan 8.380 nan 0.000 0.504 680 L N 1.164 122.505 121.223 0.198 0.000 2.043 680 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 680 L C 1.462 178.446 176.870 0.190 0.000 1.075 680 L CA 2.023 56.955 54.840 0.153 0.000 0.752 680 L CB -0.452 41.629 42.059 0.037 0.000 0.891 680 L HN 0.169 nan 8.230 nan 0.000 0.432 681 D N -1.392 119.099 120.400 0.151 0.000 2.116 681 D HA -0.264 4.376 4.640 -0.000 0.000 0.193 681 D C 2.080 178.475 176.300 0.157 0.000 0.998 681 D CA 1.814 55.891 54.000 0.128 0.000 0.836 681 D CB -0.205 40.657 40.800 0.103 0.000 0.951 681 D HN 0.593 nan 8.370 nan 0.000 0.449 682 H N -0.906 118.226 119.070 0.103 0.000 2.462 682 H HA -0.060 4.496 4.556 -0.000 0.000 0.292 682 H C 1.717 177.101 175.328 0.093 0.000 1.049 682 H CA 1.135 57.220 56.048 0.062 0.000 1.334 682 H CB -0.274 29.489 29.762 0.002 0.000 1.404 682 H HN 0.143 nan 8.280 nan 0.000 0.544 683 Y N 0.309 120.605 120.300 -0.007 0.000 2.165 683 Y HA -0.180 4.370 4.550 -0.000 0.000 0.286 683 Y C 2.353 178.218 175.900 -0.058 0.000 1.155 683 Y CA 1.498 59.593 58.100 -0.008 0.000 1.164 683 Y CB 0.132 38.618 38.460 0.043 0.000 0.978 683 Y HN 0.120 nan 8.280 nan 0.000 0.513 684 R N -0.285 120.288 120.500 0.121 0.000 2.148 684 R HA -0.069 4.271 4.340 -0.000 0.000 0.223 684 R C 1.496 177.787 176.300 -0.014 0.000 1.088 684 R CA 0.933 57.056 56.100 0.037 0.000 0.985 684 R CB -0.810 29.514 30.300 0.039 0.000 0.880 684 R HN 0.363 nan 8.270 nan 0.000 0.451 685 N N 0.201 118.872 118.700 -0.049 0.000 2.416 685 N HA -0.072 4.668 4.740 -0.000 0.000 0.177 685 N C 0.651 176.095 175.510 -0.111 0.000 1.036 685 N CA 0.900 53.912 53.050 -0.062 0.000 0.901 685 N CB 0.199 38.680 38.487 -0.009 0.000 0.976 685 N HN 0.125 nan 8.380 nan 0.000 0.444 686 S N -0.896 114.684 115.700 -0.201 0.000 2.618 686 S HA 0.117 4.587 4.470 -0.000 0.000 0.242 686 S C 0.404 175.037 174.600 0.056 0.000 0.972 686 S CA -0.692 57.458 58.200 -0.083 0.000 1.004 686 S CB -0.802 62.304 63.200 -0.157 0.000 0.778 686 S HN 0.198 nan 8.310 nan 0.000 0.459 687 T N -1.782 112.764 114.554 -0.013 0.000 2.922 687 T HA 0.503 4.853 4.350 -0.000 0.000 0.285 687 T C 1.290 175.981 174.700 -0.015 0.000 1.005 687 T CA -0.688 61.391 62.100 -0.035 0.000 1.061 687 T CB 1.400 70.215 68.868 -0.089 0.000 1.007 687 T HN -0.032 nan 8.240 nan 0.000 0.502 688 V N 2.443 122.346 119.914 -0.019 0.000 2.453 688 V HA -0.150 3.970 4.120 -0.000 0.000 0.247 688 V C 2.740 178.803 176.094 -0.051 0.000 1.048 688 V CA 1.639 63.921 62.300 -0.030 0.000 1.049 688 V CB -0.868 30.930 31.823 -0.041 0.000 0.672 688 V HN 0.874 nan 8.190 nan 0.000 0.457 689 M N 1.234 120.784 119.600 -0.082 0.000 2.202 689 M HA -0.122 4.358 4.480 -0.000 0.000 0.262 689 M C 2.339 178.607 176.300 -0.054 0.000 1.063 689 M CA 2.204 57.447 55.300 -0.095 0.000 1.097 689 M CB -1.972 30.579 32.600 -0.081 0.000 1.382 689 M HN 0.574 nan 8.290 nan 0.000 0.413 690 S N 0.681 116.361 115.700 -0.033 0.000 2.474 690 S HA -0.051 4.419 4.470 -0.000 0.000 0.235 690 S C 1.759 176.361 174.600 0.004 0.000 0.997 690 S CA 0.551 58.742 58.200 -0.016 0.000 0.949 690 S CB -0.454 62.736 63.200 -0.016 0.000 0.766 690 S HN 0.621 nan 8.310 nan 0.000 0.517 691 R N 0.382 120.898 120.500 0.027 0.000 2.393 691 R HA 0.470 4.810 4.340 -0.000 0.000 0.244 691 R C 2.169 178.577 176.300 0.181 0.000 0.920 691 R CA 0.412 56.557 56.100 0.075 0.000 1.076 691 R CB -0.206 30.136 30.300 0.070 0.000 1.119 691 R HN 0.452 nan 8.270 nan 0.000 0.524 692 A N 1.690 124.561 122.820 0.086 0.000 1.915 692 A HA -0.320 4.000 4.320 -0.000 0.000 0.220 692 A C 2.037 179.712 177.584 0.151 0.000 1.198 692 A CA 2.089 54.148 52.037 0.038 0.000 0.647 692 A CB -0.345 18.606 19.000 -0.081 0.000 0.825 692 A HN 0.305 nan 8.150 nan 0.000 0.456 693 E N 0.451 120.706 120.200 0.092 0.000 2.097 693 E HA -0.218 4.132 4.350 -0.000 0.000 0.196 693 E C 1.666 178.323 176.600 0.095 0.000 1.000 693 E CA 2.041 58.488 56.400 0.079 0.000 0.804 693 E CB -0.563 29.164 29.700 0.045 0.000 0.740 693 E HN 0.803 nan 8.360 nan 0.000 0.454 694 N N -1.222 117.527 118.700 0.082 0.000 2.453 694 N HA -0.105 4.635 4.740 -0.000 0.000 0.183 694 N C 0.883 176.366 175.510 -0.046 0.000 1.041 694 N CA 0.349 53.396 53.050 -0.006 0.000 0.900 694 N CB -0.159 38.275 38.487 -0.089 0.000 0.961 694 N HN 0.150 nan 8.380 nan 0.000 0.443 695 F N 1.561 121.469 119.950 -0.071 0.000 2.546 695 F HA -0.002 4.525 4.527 -0.000 0.000 0.298 695 F C 1.874 177.682 175.800 0.012 0.000 1.120 695 F CA 0.731 58.688 58.000 -0.072 0.000 1.456 695 F CB -0.015 38.898 39.000 -0.144 0.000 1.088 695 F HN -0.076 nan 8.300 nan 0.000 0.572 696 K N -0.360 120.136 120.400 0.160 0.000 2.280 696 K HA -0.147 4.173 4.320 -0.000 0.000 0.202 696 K C 1.591 178.248 176.600 0.096 0.000 1.047 696 K CA 0.775 57.139 56.287 0.128 0.000 0.942 696 K CB -0.094 32.461 32.500 0.093 0.000 0.739 696 K HN 0.206 nan 8.250 nan 0.000 0.457 697 Q N 0.205 120.038 119.800 0.056 0.000 2.403 697 Q HA 0.035 4.375 4.340 -0.000 0.000 0.203 697 Q C 0.634 176.666 176.000 0.054 0.000 0.932 697 Q CA 0.318 56.145 55.803 0.040 0.000 0.945 697 Q CB 0.357 29.099 28.738 0.007 0.000 1.045 697 Q HN 0.224 nan 8.270 nan 0.000 0.511 698 V N -3.455 116.506 119.914 0.079 0.000 3.160 698 V HA 0.535 4.655 4.120 -0.000 0.000 0.310 698 V C -0.947 175.283 176.094 0.226 0.000 1.181 698 V CA -1.293 61.081 62.300 0.123 0.000 1.047 698 V CB 2.363 34.221 31.823 0.059 0.000 1.068 698 V HN -0.068 nan 8.190 nan 0.000 0.441 699 E N 1.260 121.626 120.200 0.278 0.000 2.081 699 E HA 0.441 4.791 4.350 -0.000 0.000 0.276 699 E C -1.912 175.055 176.600 0.611 0.000 0.950 699 E CA -0.358 56.276 56.400 0.391 0.000 0.776 699 E CB 1.694 31.556 29.700 0.270 0.000 1.094 699 E HN 0.665 nan 8.360 nan 0.000 0.402 700 Y N 3.578 124.135 120.300 0.428 0.000 2.377 700 Y HA 0.431 4.981 4.550 -0.000 0.000 0.339 700 Y C -1.386 174.615 175.900 0.169 0.000 1.011 700 Y CA -1.235 57.069 58.100 0.340 0.000 1.093 700 Y CB 0.952 39.657 38.460 0.407 0.000 1.201 700 Y HN 0.423 nan 8.280 nan 0.000 0.455 701 L N 8.208 129.179 121.223 -0.419 0.000 2.343 701 L HA 0.473 4.813 4.340 -0.000 0.000 0.278 701 L C -1.744 174.691 176.870 -0.725 0.000 0.996 701 L CA -0.749 53.694 54.840 -0.662 0.000 0.831 701 L CB 1.126 42.478 42.059 -1.177 0.000 1.232 701 L HN 0.671 nan 8.230 nan 0.000 0.413 702 L N 6.478 127.351 121.223 -0.583 0.000 2.287 702 L HA 0.580 4.920 4.340 -0.000 0.000 0.287 702 L C -0.881 175.869 176.870 -0.201 0.000 1.022 702 L CA -0.471 54.085 54.840 -0.472 0.000 0.814 702 L CB 1.543 43.379 42.059 -0.371 0.000 1.217 702 L HN 0.606 nan 8.230 nan 0.000 0.420 703 I N 4.106 124.572 120.570 -0.174 0.000 2.545 703 I HA 0.488 4.657 4.170 -0.000 0.000 0.292 703 I C -0.878 175.226 176.117 -0.021 0.000 1.040 703 I CA -0.735 60.513 61.300 -0.087 0.000 1.068 703 I CB 2.048 39.959 38.000 -0.148 0.000 1.251 703 I HN 0.526 nan 8.210 nan 0.000 0.424 704 H N 2.798 121.920 119.070 0.086 0.000 3.085 704 H HA 0.384 4.940 4.556 -0.000 0.000 0.356 704 H C -0.790 174.769 175.328 0.385 0.000 1.178 704 H CA -0.529 55.626 56.048 0.179 0.000 1.214 704 H CB 2.501 32.324 29.762 0.102 0.000 1.881 704 H HN 0.767 nan 8.280 nan 0.000 0.538 705 G N 0.968 110.096 108.800 0.547 0.000 2.390 705 G HA2 0.230 4.190 3.960 -0.000 0.000 0.270 705 G HA3 0.230 4.190 3.960 -0.000 0.000 0.270 705 G C 1.124 176.308 174.900 0.472 0.000 1.211 705 G CA 0.211 45.594 45.100 0.471 0.000 0.842 705 G HN 0.648 nan 8.290 nan 0.000 0.519 706 T N -0.660 114.013 114.554 0.198 0.000 2.995 706 T HA 0.072 4.422 4.350 -0.000 0.000 0.269 706 T C 1.743 176.415 174.700 -0.046 0.000 1.091 706 T CA 1.282 63.313 62.100 -0.114 0.000 1.128 706 T CB 0.146 68.868 68.868 -0.242 0.000 0.891 706 T HN 0.675 nan 8.240 nan 0.000 0.492 707 A N 1.057 123.915 122.820 0.064 0.000 2.577 707 A HA 0.295 4.615 4.320 -0.000 0.000 0.280 707 A C 0.433 177.953 177.584 -0.106 0.000 1.331 707 A CA -0.502 51.529 52.037 -0.010 0.000 0.935 707 A CB -0.342 18.891 19.000 0.389 0.000 1.082 707 A HN 0.392 nan 8.150 nan 0.000 0.525 708 D N 1.495 121.881 120.400 -0.023 0.000 2.346 708 D HA -0.013 4.627 4.640 -0.000 0.000 0.260 708 D C 0.334 176.599 176.300 -0.059 0.000 1.252 708 D CA 0.217 54.304 54.000 0.144 0.000 0.895 708 D CB 0.713 41.768 40.800 0.425 0.000 1.097 708 D HN 0.574 nan 8.370 nan 0.000 0.489 709 D N 2.519 122.942 120.400 0.039 0.000 2.333 709 D HA -0.134 4.506 4.640 -0.000 0.000 0.208 709 D C 1.016 177.293 176.300 -0.039 0.000 0.984 709 D CA -0.086 53.891 54.000 -0.038 0.000 0.873 709 D CB 0.383 41.136 40.800 -0.079 0.000 0.935 709 D HN 0.237 nan 8.370 nan 0.000 0.521 710 N N 1.010 119.797 118.700 0.144 0.000 2.272 710 N HA -0.055 4.685 4.740 -0.000 0.000 0.195 710 N C 0.041 175.515 175.510 -0.059 0.000 1.048 710 N CA 0.584 53.750 53.050 0.195 0.000 0.912 710 N CB 0.328 38.935 38.487 0.201 0.000 1.096 710 N HN -0.091 nan 8.380 nan 0.000 0.471 711 V N 3.038 122.924 119.914 -0.047 0.000 2.304 711 V HA 0.168 4.288 4.120 -0.000 0.000 0.262 711 V C -0.483 175.682 176.094 0.118 0.000 1.061 711 V CA -0.338 61.965 62.300 0.004 0.000 0.872 711 V CB -0.565 31.284 31.823 0.043 0.000 1.077 711 V HN 0.297 nan 8.190 nan 0.000 0.480 712 H N 3.236 122.281 119.070 -0.042 0.000 3.038 712 H HA -0.062 4.494 4.556 -0.000 0.000 0.338 712 H C 0.848 176.034 175.328 -0.238 0.000 1.041 712 H CA -0.013 55.939 56.048 -0.161 0.000 1.394 712 H CB 0.708 30.293 29.762 -0.296 0.000 1.357 712 H HN 0.616 nan 8.280 nan 0.000 0.600 713 F N 2.185 121.948 119.950 -0.312 0.000 2.184 713 F HA -0.312 4.215 4.527 -0.000 0.000 0.301 713 F C 2.601 178.129 175.800 -0.453 0.000 1.076 713 F CA 1.863 59.484 58.000 -0.630 0.000 1.295 713 F CB -0.220 38.586 39.000 -0.322 0.000 1.026 713 F HN 0.674 nan 8.300 nan 0.000 0.494 714 Q N 0.185 119.852 119.800 -0.221 0.000 2.156 714 Q HA -0.320 4.019 4.340 -0.000 0.000 0.211 714 Q C 2.061 177.824 176.000 -0.396 0.000 0.995 714 Q CA 2.321 57.941 55.803 -0.305 0.000 0.877 714 Q CB -0.420 28.103 28.738 -0.359 0.000 0.920 714 Q HN 0.588 nan 8.270 nan 0.000 0.416 715 Q N -0.203 119.394 119.800 -0.337 0.000 2.061 715 Q HA -0.140 4.200 4.340 -0.000 0.000 0.204 715 Q C 2.292 178.174 176.000 -0.197 0.000 0.984 715 Q CA 1.807 57.527 55.803 -0.139 0.000 0.846 715 Q CB -0.149 28.573 28.738 -0.026 0.000 0.902 715 Q HN 0.352 nan 8.270 nan 0.000 0.421 716 S N 0.549 116.005 115.700 -0.406 0.000 2.406 716 S HA -0.012 4.458 4.470 -0.000 0.000 0.228 716 S C 2.032 176.373 174.600 -0.431 0.000 1.020 716 S CA 0.711 58.677 58.200 -0.390 0.000 0.965 716 S CB -0.100 62.817 63.200 -0.471 0.000 0.798 716 S HN 0.474 nan 8.310 nan 0.000 0.488 717 A N 1.280 123.754 122.820 -0.576 0.000 1.978 717 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 717 A C 2.110 179.593 177.584 -0.170 0.000 1.170 717 A CA 1.178 53.016 52.037 -0.331 0.000 0.636 717 A CB -0.372 18.493 19.000 -0.225 0.000 0.810 717 A HN 0.364 nan 8.150 nan 0.000 0.448 718 Q N -0.567 119.144 119.800 -0.150 0.000 2.187 718 Q HA 0.057 4.397 4.340 -0.000 0.000 0.199 718 Q C 2.116 178.060 176.000 -0.093 0.000 0.957 718 Q CA 0.818 56.586 55.803 -0.058 0.000 0.857 718 Q CB -0.262 28.522 28.738 0.076 0.000 0.929 718 Q HN 0.776 nan 8.270 nan 0.000 0.453 719 I N 1.151 121.636 120.570 -0.142 0.000 2.142 719 I HA -0.280 3.890 4.170 -0.000 0.000 0.240 719 I C 2.549 178.488 176.117 -0.298 0.000 1.078 719 I CA 1.516 62.687 61.300 -0.216 0.000 1.343 719 I CB -0.486 37.391 38.000 -0.204 0.000 1.046 719 I HN 0.187 nan 8.210 nan 0.000 0.405 720 S N 0.984 116.532 115.700 -0.253 0.000 2.370 720 S HA -0.292 4.178 4.470 -0.000 0.000 0.226 720 S C 2.043 176.598 174.600 -0.074 0.000 1.033 720 S CA 1.582 59.658 58.200 -0.207 0.000 1.011 720 S CB -0.485 62.784 63.200 0.115 0.000 0.852 720 S HN 0.363 nan 8.310 nan 0.000 0.457 721 K N 1.692 122.061 120.400 -0.051 0.000 2.063 721 K HA 0.007 4.327 4.320 -0.000 0.000 0.208 721 K C 2.291 178.867 176.600 -0.041 0.000 1.048 721 K CA 1.216 57.492 56.287 -0.017 0.000 0.928 721 K CB -0.704 31.785 32.500 -0.018 0.000 0.713 721 K HN 0.466 nan 8.250 nan 0.000 0.442 722 A N 0.904 123.669 122.820 -0.092 0.000 1.933 722 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 722 A C 2.070 179.584 177.584 -0.117 0.000 1.175 722 A CA 1.243 53.221 52.037 -0.098 0.000 0.628 722 A CB -0.530 18.394 19.000 -0.127 0.000 0.814 722 A HN 0.319 nan 8.150 nan 0.000 0.444 723 L N -0.726 120.375 121.223 -0.203 0.000 2.109 723 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 723 L C 2.473 179.347 176.870 0.006 0.000 1.086 723 L CA 0.784 55.507 54.840 -0.194 0.000 0.760 723 L CB -0.510 41.248 42.059 -0.501 0.000 0.910 723 L HN 0.231 nan 8.230 nan 0.000 0.437 724 V N -0.205 119.748 119.914 0.064 0.000 2.358 724 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 724 V C 1.980 178.110 176.094 0.060 0.000 1.047 724 V CA 1.777 64.147 62.300 0.116 0.000 1.035 724 V CB -0.477 31.418 31.823 0.120 0.000 0.658 724 V HN 0.421 nan 8.190 nan 0.000 0.452 725 D N -0.410 120.007 120.400 0.027 0.000 2.264 725 D HA -0.093 4.547 4.640 -0.000 0.000 0.208 725 D C 1.795 178.107 176.300 0.021 0.000 0.966 725 D CA 0.921 54.933 54.000 0.019 0.000 0.864 725 D CB 0.098 40.901 40.800 0.005 0.000 0.933 725 D HN 0.340 nan 8.370 nan 0.000 0.499 726 V N -0.494 119.432 119.914 0.020 0.000 3.647 726 V HA 0.202 4.322 4.120 -0.000 0.000 0.279 726 V C 1.229 177.351 176.094 0.047 0.000 1.314 726 V CA 0.752 63.068 62.300 0.027 0.000 1.125 726 V CB 0.206 32.040 31.823 0.017 0.000 0.907 726 V HN 0.359 nan 8.190 nan 0.000 0.434 727 G N 0.778 109.614 108.800 0.060 0.000 2.182 727 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.248 727 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.248 727 G C -0.014 174.948 174.900 0.102 0.000 1.042 727 G CA 0.281 45.426 45.100 0.075 0.000 0.775 727 G HN 0.420 nan 8.290 nan 0.000 0.501 728 V N 0.429 120.422 119.914 0.132 0.000 2.394 728 V HA 0.490 4.610 4.120 -0.000 0.000 0.282 728 V C 0.346 176.621 176.094 0.301 0.000 1.031 728 V CA -0.519 61.891 62.300 0.183 0.000 0.881 728 V CB 1.774 33.693 31.823 0.160 0.000 0.982 728 V HN 0.431 nan 8.190 nan 0.000 0.451 729 D N 3.985 124.542 120.400 0.262 0.000 2.302 729 D HA 0.594 5.234 4.640 -0.000 0.000 0.248 729 D C -0.564 175.977 176.300 0.401 0.000 1.094 729 D CA 0.097 54.248 54.000 0.250 0.000 0.897 729 D CB 0.797 41.675 40.800 0.130 0.000 1.200 729 D HN 0.342 nan 8.370 nan 0.000 0.429 730 F N -0.227 119.798 119.950 0.125 0.000 2.789 730 F HA 0.496 5.023 4.527 -0.000 0.000 0.319 730 F C -1.449 174.404 175.800 0.089 0.000 1.168 730 F CA -1.102 56.995 58.000 0.161 0.000 0.934 730 F CB 0.729 39.859 39.000 0.217 0.000 1.375 730 F HN 0.127 nan 8.300 nan 0.000 0.480 731 Q N 1.148 120.992 119.800 0.073 0.000 2.306 731 Q HA 0.818 5.158 4.340 -0.000 0.000 0.265 731 Q C -0.971 174.978 176.000 -0.084 0.000 1.022 731 Q CA -0.969 54.785 55.803 -0.081 0.000 0.853 731 Q CB 2.365 31.111 28.738 0.014 0.000 1.327 731 Q HN 1.044 nan 8.270 nan 0.000 0.449 732 A N 1.729 124.472 122.820 -0.129 0.000 2.566 732 A HA 0.868 5.188 4.320 -0.000 0.000 0.292 732 A C -1.396 176.105 177.584 -0.138 0.000 1.112 732 A CA -0.582 51.417 52.037 -0.064 0.000 0.707 732 A CB 2.088 21.106 19.000 0.030 0.000 1.302 732 A HN 0.624 nan 8.150 nan 0.000 0.409 733 M N 1.048 120.559 119.600 -0.148 0.000 2.298 733 M HA 0.518 4.998 4.480 -0.000 0.000 0.255 733 M C -2.058 174.085 176.300 -0.261 0.000 1.021 733 M CA -0.543 54.521 55.300 -0.393 0.000 0.968 733 M CB 0.902 33.181 32.600 -0.534 0.000 2.037 733 M HN 1.005 nan 8.290 nan 0.000 0.478 734 W N 4.354 125.487 121.300 -0.278 0.000 2.509 734 W HA 0.799 5.459 4.660 -0.000 0.000 0.351 734 W C -1.952 174.292 176.519 -0.458 0.000 1.107 734 W CA -0.812 56.449 57.345 -0.139 0.000 1.264 734 W CB 0.411 29.834 29.460 -0.062 0.000 1.312 734 W HN 0.617 nan 8.180 nan 0.000 0.608 735 Y N 2.319 122.758 120.300 0.231 0.000 2.426 735 Y HA 0.278 4.828 4.550 -0.000 0.000 0.325 735 Y C 0.747 176.754 175.900 0.178 0.000 0.989 735 Y CA -1.182 56.968 58.100 0.083 0.000 1.284 735 Y CB 1.290 39.763 38.460 0.022 0.000 1.104 735 Y HN 0.649 nan 8.280 nan 0.000 0.481 736 T N 0.633 115.360 114.554 0.288 0.000 2.902 736 T HA 0.093 4.443 4.350 -0.000 0.000 0.301 736 T C 0.460 175.210 174.700 0.083 0.000 1.012 736 T CA 0.301 62.478 62.100 0.130 0.000 1.151 736 T CB 0.258 69.113 68.868 -0.021 0.000 0.946 736 T HN 0.770 nan 8.240 nan 0.000 0.542 737 D N 0.575 120.997 120.400 0.037 0.000 3.046 737 D HA -0.115 4.525 4.640 -0.000 0.000 0.210 737 D C -0.109 176.294 176.300 0.172 0.000 1.124 737 D CA 1.203 55.166 54.000 -0.062 0.000 0.986 737 D CB -0.718 39.850 40.800 -0.387 0.000 1.118 737 D HN 0.729 nan 8.370 nan 0.000 0.416 738 E N 0.993 121.319 120.200 0.210 0.000 2.266 738 E HA 0.333 4.683 4.350 -0.000 0.000 0.277 738 E C 0.725 177.494 176.600 0.282 0.000 1.018 738 E CA -0.323 56.224 56.400 0.245 0.000 0.840 738 E CB 1.316 31.151 29.700 0.226 0.000 1.082 738 E HN 0.331 nan 8.360 nan 0.000 0.395 739 D N -0.002 120.580 120.400 0.304 0.000 2.511 739 D HA -0.016 4.624 4.640 -0.000 0.000 0.283 739 D C 1.099 177.624 176.300 0.376 0.000 1.198 739 D CA -0.141 54.062 54.000 0.338 0.000 1.097 739 D CB -0.173 40.854 40.800 0.379 0.000 1.160 739 D HN 0.404 nan 8.370 nan 0.000 0.589 740 H N -1.625 117.627 119.070 0.302 0.000 2.489 740 H HA 0.091 4.647 4.556 -0.000 0.000 0.293 740 H C 1.862 177.448 175.328 0.430 0.000 1.066 740 H CA 2.045 58.296 56.048 0.339 0.000 1.305 740 H CB -0.362 29.589 29.762 0.315 0.000 1.386 740 H HN 0.487 nan 8.280 nan 0.000 0.551 741 G N -0.444 108.535 108.800 0.298 0.000 2.683 741 G HA2 0.032 3.992 3.960 -0.000 0.000 0.213 741 G HA3 0.032 3.992 3.960 -0.000 0.000 0.213 741 G C 0.603 175.685 174.900 0.304 0.000 1.142 741 G CA 0.243 45.444 45.100 0.169 0.000 0.793 741 G HN 0.495 nan 8.290 nan 0.000 0.534 742 I N 0.186 120.952 120.570 0.327 0.000 5.115 742 I HA -0.319 3.851 4.170 -0.000 0.000 0.126 742 I C 1.400 177.649 176.117 0.220 0.000 1.316 742 I CA 0.203 61.647 61.300 0.241 0.000 2.641 742 I CB -1.151 36.975 38.000 0.209 0.000 2.272 742 I HN 0.261 nan 8.210 nan 0.000 0.321 743 A N 1.474 124.392 122.820 0.163 0.000 2.465 743 A HA 0.338 4.658 4.320 -0.000 0.000 0.255 743 A C 1.094 178.723 177.584 0.076 0.000 1.274 743 A CA 0.484 52.580 52.037 0.099 0.000 0.920 743 A CB 0.162 19.182 19.000 0.034 0.000 1.033 743 A HN 0.625 nan 8.150 nan 0.000 0.516 744 S N -0.570 115.191 115.700 0.102 0.000 2.579 744 S HA 0.190 4.660 4.470 -0.000 0.000 0.275 744 S C 1.254 175.909 174.600 0.091 0.000 1.345 744 S CA 0.364 58.617 58.200 0.089 0.000 1.031 744 S CB 1.158 64.417 63.200 0.099 0.000 0.892 744 S HN 0.477 nan 8.310 nan 0.000 0.529 745 S N 1.921 117.663 115.700 0.069 0.000 2.368 745 S HA -0.205 4.264 4.470 -0.000 0.000 0.226 745 S C 2.118 176.781 174.600 0.104 0.000 1.044 745 S CA 2.453 60.697 58.200 0.074 0.000 1.062 745 S CB -1.610 61.616 63.200 0.044 0.000 0.931 745 S HN 1.054 nan 8.310 nan 0.000 0.440 746 T N -0.101 114.504 114.554 0.085 0.000 2.737 746 T HA 0.140 4.490 4.350 -0.000 0.000 0.265 746 T C 2.005 176.764 174.700 0.099 0.000 1.038 746 T CA 1.417 63.569 62.100 0.087 0.000 1.144 746 T CB -1.050 67.861 68.868 0.072 0.000 0.866 746 T HN 0.474 nan 8.240 nan 0.000 0.434 747 A N 1.540 124.401 122.820 0.068 0.000 1.933 747 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 747 A C 2.217 179.765 177.584 -0.060 0.000 1.175 747 A CA 2.159 54.172 52.037 -0.040 0.000 0.628 747 A CB -1.288 17.661 19.000 -0.085 0.000 0.814 747 A HN 0.788 nan 8.150 nan 0.000 0.444 748 H N -0.107 118.953 119.070 -0.018 0.000 2.319 748 H HA -0.138 4.418 4.556 -0.000 0.000 0.299 748 H C 2.079 177.473 175.328 0.110 0.000 1.092 748 H CA 2.350 58.438 56.048 0.067 0.000 1.302 748 H CB -0.247 29.556 29.762 0.069 0.000 1.373 748 H HN 0.583 nan 8.280 nan 0.000 0.497 749 Q N -1.101 118.683 119.800 -0.026 0.000 2.167 749 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 749 Q C 2.134 178.113 176.000 -0.036 0.000 0.970 749 Q CA 1.195 56.943 55.803 -0.092 0.000 0.855 749 Q CB -0.115 28.615 28.738 -0.013 0.000 0.911 749 Q HN 0.636 nan 8.270 nan 0.000 0.438 750 H N 0.827 119.866 119.070 -0.051 0.000 2.333 750 H HA -0.042 4.514 4.556 -0.000 0.000 0.302 750 H C 2.023 177.352 175.328 0.002 0.000 1.075 750 H CA 1.216 57.272 56.048 0.013 0.000 1.348 750 H CB 0.002 29.827 29.762 0.104 0.000 1.393 750 H HN 0.272 nan 8.280 nan 0.000 0.509 751 I N 0.160 120.719 120.570 -0.019 0.000 2.226 751 I HA -0.323 3.847 4.170 -0.000 0.000 0.245 751 I C 1.767 177.666 176.117 -0.363 0.000 1.100 751 I CA 1.266 62.469 61.300 -0.162 0.000 1.374 751 I CB -0.266 37.439 38.000 -0.492 0.000 1.057 751 I HN 0.133 nan 8.210 nan 0.000 0.413 752 Y N 0.907 121.007 120.300 -0.332 0.000 2.314 752 Y HA -0.182 4.368 4.550 -0.000 0.000 0.293 752 Y C 2.708 178.416 175.900 -0.319 0.000 1.129 752 Y CA 1.778 59.561 58.100 -0.529 0.000 1.201 752 Y CB -0.776 37.363 38.460 -0.535 0.000 0.999 752 Y HN 0.148 nan 8.280 nan 0.000 0.541 753 T N -1.718 112.770 114.554 -0.110 0.000 2.737 753 T HA -0.218 4.132 4.350 -0.000 0.000 0.265 753 T C 1.568 176.156 174.700 -0.187 0.000 1.038 753 T CA 1.831 63.830 62.100 -0.168 0.000 1.144 753 T CB -0.425 68.338 68.868 -0.175 0.000 0.866 753 T HN 0.411 nan 8.240 nan 0.000 0.434 754 H N 0.776 119.742 119.070 -0.173 0.000 2.353 754 H HA 0.109 4.665 4.556 -0.000 0.000 0.300 754 H C 2.139 177.469 175.328 0.003 0.000 1.090 754 H CA 1.514 57.540 56.048 -0.036 0.000 1.327 754 H CB -0.201 29.536 29.762 -0.042 0.000 1.383 754 H HN 0.265 nan 8.280 nan 0.000 0.508 755 M N -0.978 118.586 119.600 -0.060 0.000 2.229 755 M HA -0.136 4.344 4.480 -0.000 0.000 0.264 755 M C 2.404 178.841 176.300 0.229 0.000 1.063 755 M CA 1.272 56.540 55.300 -0.054 0.000 1.114 755 M CB 0.085 32.401 32.600 -0.473 0.000 1.387 755 M HN 0.176 nan 8.290 nan 0.000 0.420 756 S N -0.530 115.327 115.700 0.262 0.000 2.356 756 S HA -0.154 4.316 4.470 -0.000 0.000 0.223 756 S C 1.724 176.416 174.600 0.153 0.000 1.032 756 S CA 1.049 59.474 58.200 0.375 0.000 1.005 756 S CB -0.542 62.850 63.200 0.321 0.000 0.867 756 S HN 0.464 nan 8.310 nan 0.000 0.449 757 H N -0.151 118.982 119.070 0.104 0.000 2.353 757 H HA -0.045 4.511 4.556 -0.000 0.000 0.300 757 H C 1.988 177.321 175.328 0.009 0.000 1.090 757 H CA 1.336 57.395 56.048 0.019 0.000 1.327 757 H CB -0.790 28.926 29.762 -0.077 0.000 1.383 757 H HN 0.445 nan 8.280 nan 0.000 0.508 758 F N 1.343 121.287 119.950 -0.011 0.000 2.095 758 F HA -0.200 4.327 4.527 -0.000 0.000 0.298 758 F C 2.303 178.066 175.800 -0.062 0.000 1.104 758 F CA 0.975 58.941 58.000 -0.056 0.000 1.232 758 F CB -0.315 38.638 39.000 -0.078 0.000 0.987 758 F HN -0.041 nan 8.300 nan 0.000 0.475 759 I N 0.743 121.328 120.570 0.024 0.000 2.179 759 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 759 I C 2.291 178.231 176.117 -0.296 0.000 1.088 759 I CA 1.423 62.573 61.300 -0.250 0.000 1.357 759 I CB -1.301 36.627 38.000 -0.119 0.000 1.051 759 I HN 0.191 nan 8.210 nan 0.000 0.409 760 K N 0.422 120.787 120.400 -0.059 0.000 2.063 760 K HA -0.232 4.088 4.320 -0.000 0.000 0.208 760 K C 1.987 178.585 176.600 -0.004 0.000 1.048 760 K CA 1.153 57.458 56.287 0.029 0.000 0.928 760 K CB -0.417 32.141 32.500 0.097 0.000 0.713 760 K HN 0.430 nan 8.250 nan 0.000 0.442 761 Q N 1.353 121.110 119.800 -0.073 0.000 2.050 761 Q HA -0.190 4.150 4.340 -0.000 0.000 0.202 761 Q C 2.280 178.191 176.000 -0.148 0.000 0.980 761 Q CA 1.810 57.552 55.803 -0.101 0.000 0.840 761 Q CB -0.603 28.054 28.738 -0.135 0.000 0.898 761 Q HN 0.384 nan 8.270 nan 0.000 0.424 762 c N 0.120 118.529 118.600 -0.318 0.000 2.435 762 c HA -0.062 4.508 4.570 -0.000 0.000 0.279 762 c C 2.403 176.511 174.090 0.030 0.000 1.321 762 c CA 0.381 56.542 56.329 -0.281 0.000 1.752 762 c CB -1.305 40.868 42.510 -0.561 0.000 1.959 762 c HN 0.549 nan 8.230 nan 0.000 0.500 763 F N 1.117 121.024 119.950 -0.072 0.000 2.317 763 F HA 0.258 4.785 4.527 -0.000 0.000 0.290 763 F C 2.030 177.813 175.800 -0.028 0.000 1.075 763 F CA 0.401 58.381 58.000 -0.033 0.000 1.380 763 F CB -1.309 37.678 39.000 -0.021 0.000 1.093 763 F HN 0.074 nan 8.300 nan 0.000 0.524 764 S N 0.000 115.804 115.700 0.173 0.000 2.498 764 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 764 S CA 0.000 58.252 58.200 0.087 0.000 1.107 764 S CB 0.000 63.241 63.200 0.068 0.000 0.593 764 S HN 0.000 nan 8.310 nan 0.000 0.517