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 3kwj_1_A DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.656 174.600 0.094 0.000 1.055 39 S CA 0.000 58.255 58.200 0.092 0.000 1.107 39 S CB 0.000 63.234 63.200 0.057 0.000 0.593 40 R N 2.326 122.887 120.500 0.102 0.000 2.290 40 R HA -0.269 4.070 4.340 -0.002 0.000 0.210 40 R C 0.573 176.933 176.300 0.101 0.000 0.919 40 R CA 2.433 58.588 56.100 0.092 0.000 0.403 40 R CB -1.441 28.901 30.300 0.070 0.000 0.576 40 R HN 0.709 nan 8.270 nan 0.000 0.261 41 K N 1.614 122.076 120.400 0.103 0.000 2.489 41 K HA 0.015 4.334 4.320 -0.002 0.000 0.278 41 K C -0.149 176.533 176.600 0.137 0.000 1.000 41 K CA 0.768 57.127 56.287 0.120 0.000 1.012 41 K CB 0.421 33.004 32.500 0.140 0.000 0.903 41 K HN 0.317 nan 8.250 nan 0.000 0.485 42 T N 2.740 117.383 114.554 0.147 0.000 2.943 42 T HA 0.154 4.503 4.350 -0.002 0.000 0.284 42 T C -1.272 173.566 174.700 0.230 0.000 1.015 42 T CA -0.532 61.672 62.100 0.173 0.000 1.042 42 T CB 0.290 69.253 68.868 0.158 0.000 1.055 42 T HN 0.442 nan 8.240 nan 0.000 0.500 43 Y N 2.854 123.234 120.300 0.134 0.000 2.480 43 Y HA 0.326 4.875 4.550 -0.002 0.000 0.341 43 Y C 0.573 176.644 175.900 0.285 0.000 1.031 43 Y CA 0.010 58.220 58.100 0.184 0.000 1.295 43 Y CB 0.113 38.636 38.460 0.104 0.000 1.162 43 Y HN 0.545 nan 8.280 nan 0.000 0.523 44 T N 7.011 121.472 114.554 -0.155 0.000 2.934 44 T HA 0.089 4.438 4.350 -0.002 0.000 0.283 44 T C 1.122 175.634 174.700 -0.312 0.000 1.005 44 T CA -0.725 61.339 62.100 -0.061 0.000 1.041 44 T CB 1.409 70.226 68.868 -0.085 0.000 1.042 44 T HN 0.749 nan 8.240 nan 0.000 0.505 45 L N 2.290 123.060 121.223 -0.755 0.000 2.129 45 L HA -0.122 4.217 4.340 -0.002 0.000 0.212 45 L C 2.334 179.007 176.870 -0.329 0.000 1.087 45 L CA 2.038 56.376 54.840 -0.838 0.000 0.757 45 L CB -1.160 40.245 42.059 -1.091 0.000 0.896 45 L HN 0.810 nan 8.230 nan 0.000 0.434 46 T N -1.274 113.123 114.554 -0.261 0.000 2.915 46 T HA -0.118 4.231 4.350 -0.002 0.000 0.269 46 T C 1.504 176.100 174.700 -0.173 0.000 1.071 46 T CA 1.219 63.213 62.100 -0.176 0.000 1.132 46 T CB -0.325 68.469 68.868 -0.123 0.000 0.878 46 T HN 0.411 nan 8.240 nan 0.000 0.479 47 D N 0.271 120.526 120.400 -0.242 0.000 2.117 47 D HA -0.060 4.579 4.640 -0.002 0.000 0.198 47 D C 1.763 177.985 176.300 -0.130 0.000 0.982 47 D CA 0.941 54.783 54.000 -0.262 0.000 0.828 47 D CB -0.207 40.278 40.800 -0.525 0.000 0.967 47 D HN 0.393 nan 8.370 nan 0.000 0.464 48 Y N 1.183 121.326 120.300 -0.262 0.000 2.263 48 Y HA -0.117 4.432 4.550 -0.002 0.000 0.292 48 Y C 1.926 177.824 175.900 -0.003 0.000 1.130 48 Y CA 0.809 58.926 58.100 0.028 0.000 1.179 48 Y CB -0.258 38.269 38.460 0.112 0.000 0.998 48 Y HN -0.150 nan 8.280 nan 0.000 0.532 49 L N 0.350 121.420 121.223 -0.255 0.000 2.179 49 L HA -0.056 4.283 4.340 -0.002 0.000 0.208 49 L C 1.858 178.605 176.870 -0.205 0.000 1.096 49 L CA 1.549 56.187 54.840 -0.336 0.000 0.779 49 L CB -0.727 41.186 42.059 -0.242 0.000 0.922 49 L HN 0.096 nan 8.230 nan 0.000 0.443 50 K N -0.825 119.490 120.400 -0.142 0.000 2.358 50 K HA 0.142 4.461 4.320 -0.002 0.000 0.197 50 K C 0.184 176.742 176.600 -0.071 0.000 1.025 50 K CA -0.147 56.082 56.287 -0.097 0.000 1.104 50 K CB 0.080 32.525 32.500 -0.091 0.000 0.855 50 K HN 0.247 nan 8.250 nan 0.000 0.531 51 N N 1.489 120.158 118.700 -0.050 0.000 2.780 51 N HA -0.146 4.593 4.740 -0.002 0.000 0.247 51 N C 0.217 175.715 175.510 -0.020 0.000 1.076 51 N CA 0.666 53.720 53.050 0.006 0.000 0.688 51 N CB -0.764 37.724 38.487 0.001 0.000 0.957 51 N HN 0.112 nan 8.380 nan 0.000 0.551 52 T N -0.770 113.736 114.554 -0.079 0.000 2.777 52 T HA -0.117 4.232 4.350 -0.002 0.000 0.266 52 T C 0.432 174.909 174.700 -0.370 0.000 1.040 52 T CA 1.255 63.181 62.100 -0.290 0.000 1.141 52 T CB -0.080 68.514 68.868 -0.456 0.000 0.868 52 T HN 0.330 nan 8.240 nan 0.000 0.444 53 Y N 2.100 122.507 120.300 0.178 0.000 2.931 53 Y HA 0.402 4.951 4.550 -0.002 0.000 0.330 53 Y C 0.442 176.445 175.900 0.172 0.000 1.115 53 Y CA -1.024 57.194 58.100 0.197 0.000 1.283 53 Y CB -0.087 38.544 38.460 0.285 0.000 1.215 53 Y HN -0.152 nan 8.280 nan 0.000 0.534 54 R N 2.583 123.207 120.500 0.205 0.000 2.421 54 R HA 0.175 4.514 4.340 -0.002 0.000 0.305 54 R C -0.479 175.930 176.300 0.182 0.000 1.039 54 R CA -0.168 56.029 56.100 0.161 0.000 1.003 54 R CB 0.484 30.844 30.300 0.099 0.000 0.959 54 R HN 0.568 nan 8.270 nan 0.000 0.427 55 L N 4.265 125.601 121.223 0.188 0.000 2.410 55 L HA 0.121 4.460 4.340 -0.002 0.000 0.273 55 L C 0.776 177.728 176.870 0.136 0.000 1.152 55 L CA 0.276 55.224 54.840 0.181 0.000 0.855 55 L CB 0.424 42.608 42.059 0.209 0.000 1.129 55 L HN 0.344 nan 8.230 nan 0.000 0.463 56 K N 4.213 124.683 120.400 0.117 0.000 2.144 56 K HA 0.569 4.888 4.320 -0.002 0.000 0.270 56 K C -0.624 176.001 176.600 0.042 0.000 1.005 56 K CA -0.479 55.851 56.287 0.072 0.000 0.932 56 K CB 1.240 33.775 32.500 0.059 0.000 1.021 56 K HN 0.376 nan 8.250 nan 0.000 0.462 57 L N 1.067 122.251 121.223 -0.065 0.000 2.260 57 L HA 0.508 4.847 4.340 -0.002 0.000 0.265 57 L C -0.894 175.641 176.870 -0.557 0.000 1.015 57 L CA -1.156 53.502 54.840 -0.304 0.000 0.826 57 L CB 0.586 42.613 42.059 -0.054 0.000 1.373 57 L HN 0.459 nan 8.230 nan 0.000 0.450 58 Y N 0.040 119.674 120.300 -1.110 0.000 2.445 58 Y HA 0.403 4.952 4.550 -0.002 0.000 0.332 58 Y C -0.757 174.894 175.900 -0.415 0.000 1.037 58 Y CA -0.386 57.258 58.100 -0.759 0.000 1.296 58 Y CB 1.607 39.515 38.460 -0.920 0.000 1.099 58 Y HN 0.459 nan 8.280 nan 0.000 0.496 59 S N 6.936 122.448 115.700 -0.313 0.000 2.434 59 S HA 0.467 4.935 4.470 -0.002 0.000 0.318 59 S C -0.637 173.880 174.600 -0.139 0.000 1.062 59 S CA -0.697 57.429 58.200 -0.122 0.000 1.116 59 S CB -0.050 63.143 63.200 -0.011 0.000 0.977 59 S HN 0.547 nan 8.310 nan 0.000 0.480 60 L N 1.451 122.525 121.223 -0.248 0.000 2.332 60 L HA 0.745 5.084 4.340 -0.002 0.000 0.269 60 L C -0.373 176.377 176.870 -0.200 0.000 1.016 60 L CA -0.847 53.804 54.840 -0.316 0.000 0.809 60 L CB 0.671 42.169 42.059 -0.935 0.000 1.280 60 L HN 0.439 nan 8.230 nan 0.000 0.447 61 R N 1.281 121.715 120.500 -0.109 0.000 2.473 61 R HA 0.335 4.674 4.340 -0.002 0.000 0.303 61 R C -1.439 174.884 176.300 0.037 0.000 1.002 61 R CA -0.412 55.694 56.100 0.009 0.000 0.884 61 R CB 1.249 31.620 30.300 0.117 0.000 1.173 61 R HN 0.662 nan 8.270 nan 0.000 0.464 62 W N 3.846 125.244 121.300 0.163 0.000 2.257 62 W HA 0.018 4.677 4.660 -0.002 0.000 0.337 62 W C 1.663 178.268 176.519 0.144 0.000 1.321 62 W CA -0.107 57.352 57.345 0.191 0.000 1.267 62 W CB 0.398 29.968 29.460 0.184 0.000 1.187 62 W HN 0.657 nan 8.180 nan 0.000 0.565 63 I N 0.071 120.861 120.570 0.367 0.000 4.338 63 I HA 0.367 4.536 4.170 -0.002 0.000 0.329 63 I C 0.415 176.626 176.117 0.156 0.000 1.378 63 I CA -0.143 61.270 61.300 0.189 0.000 1.170 63 I CB -0.156 37.878 38.000 0.057 0.000 1.206 63 I HN 0.281 nan 8.210 nan 0.000 0.432 64 S N 0.162 115.997 115.700 0.226 0.000 2.761 64 S HA 0.208 4.676 4.470 -0.002 0.000 0.290 64 S C -0.063 174.672 174.600 0.225 0.000 1.222 64 S CA 0.091 58.392 58.200 0.168 0.000 0.954 64 S CB 0.527 63.763 63.200 0.060 0.000 1.281 64 S HN 0.229 nan 8.310 nan 0.000 0.527 65 D N 0.847 121.390 120.400 0.239 0.000 2.234 65 D HA -0.084 4.555 4.640 -0.002 0.000 0.205 65 D C 1.327 177.869 176.300 0.402 0.000 0.962 65 D CA 1.762 55.907 54.000 0.241 0.000 0.855 65 D CB -0.695 40.240 40.800 0.226 0.000 0.951 65 D HN 0.840 nan 8.370 nan 0.000 0.500 66 H N -1.088 118.177 119.070 0.326 0.000 2.986 66 H HA 0.411 4.966 4.556 -0.002 0.000 0.267 66 H C -0.191 175.313 175.328 0.294 0.000 1.072 66 H CA -0.298 55.946 56.048 0.327 0.000 1.202 66 H CB 0.666 30.569 29.762 0.234 0.000 1.535 66 H HN 0.035 nan 8.280 nan 0.000 0.522 67 E N 0.786 121.044 120.200 0.097 0.000 2.312 67 E HA 0.417 4.766 4.350 -0.002 0.000 0.267 67 E C -1.554 175.204 176.600 0.264 0.000 0.894 67 E CA -1.215 55.209 56.400 0.040 0.000 0.773 67 E CB 2.888 32.466 29.700 -0.202 0.000 1.241 67 E HN 0.284 nan 8.360 nan 0.000 0.432 68 Y N -0.875 119.411 120.300 -0.023 0.000 2.571 68 Y HA 0.569 5.118 4.550 -0.002 0.000 0.341 68 Y C -1.815 174.042 175.900 -0.072 0.000 1.076 68 Y CA -1.258 56.720 58.100 -0.204 0.000 1.029 68 Y CB 0.717 38.650 38.460 -0.878 0.000 1.308 68 Y HN 0.348 nan 8.280 nan 0.000 0.461 69 L N 3.396 124.734 121.223 0.191 0.000 2.325 69 L HA 0.496 4.835 4.340 -0.002 0.000 0.279 69 L C -1.234 175.835 176.870 0.331 0.000 1.054 69 L CA -0.949 53.999 54.840 0.180 0.000 0.804 69 L CB 1.430 43.511 42.059 0.035 0.000 1.200 69 L HN 0.768 nan 8.230 nan 0.000 0.436 70 Y N 3.057 123.459 120.300 0.170 0.000 2.470 70 Y HA 0.329 4.877 4.550 -0.002 0.000 0.341 70 Y C -0.939 175.001 175.900 0.067 0.000 1.021 70 Y CA -1.773 56.359 58.100 0.054 0.000 1.025 70 Y CB 1.590 40.023 38.460 -0.045 0.000 1.266 70 Y HN 0.484 nan 8.280 nan 0.000 0.448 71 K N 4.969 124.962 120.400 -0.677 0.000 2.281 71 K HA 0.411 4.730 4.320 -0.002 0.000 0.272 71 K C -1.197 174.763 176.600 -1.067 0.000 1.048 71 K CA -0.731 55.188 56.287 -0.615 0.000 0.898 71 K CB 1.623 33.992 32.500 -0.218 0.000 1.128 71 K HN 0.747 nan 8.250 nan 0.000 0.460 72 Q N 3.571 122.986 119.800 -0.641 0.000 2.357 72 Q HA 0.115 4.454 4.340 -0.002 0.000 0.266 72 Q C -0.802 175.100 176.000 -0.163 0.000 1.021 72 Q CA 0.025 55.602 55.803 -0.378 0.000 0.784 72 Q CB 0.873 29.545 28.738 -0.111 0.000 1.243 72 Q HN 0.913 nan 8.270 nan 0.000 0.465 73 E N 2.485 122.611 120.200 -0.123 0.000 3.388 73 E HA -0.354 3.995 4.350 -0.002 0.000 0.343 73 E C -0.254 176.303 176.600 -0.072 0.000 1.358 73 E CA 1.671 58.029 56.400 -0.069 0.000 1.559 73 E CB -0.943 28.734 29.700 -0.038 0.000 1.639 73 E HN 0.650 nan 8.360 nan 0.000 0.432 74 N N 0.947 119.612 118.700 -0.059 0.000 2.307 74 N HA 0.177 4.916 4.740 -0.002 0.000 0.248 74 N C -1.679 173.806 175.510 -0.041 0.000 1.322 74 N CA -0.046 52.978 53.050 -0.042 0.000 0.861 74 N CB 0.537 39.015 38.487 -0.015 0.000 1.303 74 N HN 0.190 nan 8.380 nan 0.000 0.498 75 N N 0.379 119.040 118.700 -0.065 0.000 2.466 75 N HA 0.396 5.135 4.740 -0.002 0.000 0.294 75 N C -0.703 174.763 175.510 -0.073 0.000 1.129 75 N CA -0.342 52.673 53.050 -0.058 0.000 0.931 75 N CB 2.090 40.547 38.487 -0.051 0.000 1.193 75 N HN -0.010 nan 8.380 nan 0.000 0.500 76 I N 1.852 122.393 120.570 -0.047 0.000 2.312 76 I HA 0.305 4.474 4.170 -0.002 0.000 0.290 76 I C -0.461 175.680 176.117 0.039 0.000 1.008 76 I CA -0.424 60.849 61.300 -0.044 0.000 1.226 76 I CB 0.755 38.682 38.000 -0.122 0.000 1.371 76 I HN 0.197 nan 8.210 nan 0.000 0.468 77 L N 6.998 128.265 121.223 0.074 0.000 2.365 77 L HA 0.579 4.918 4.340 -0.002 0.000 0.273 77 L C -0.421 176.549 176.870 0.167 0.000 1.000 77 L CA -0.949 53.947 54.840 0.093 0.000 0.819 77 L CB 2.187 44.294 42.059 0.080 0.000 1.284 77 L HN 0.310 nan 8.230 nan 0.000 0.418 78 V N 3.403 123.347 119.914 0.050 0.000 2.407 78 V HA 0.499 4.618 4.120 -0.002 0.000 0.278 78 V C -0.757 175.270 176.094 -0.111 0.000 1.037 78 V CA -0.089 62.223 62.300 0.020 0.000 0.900 78 V CB 0.963 32.791 31.823 0.009 0.000 0.983 78 V HN 0.447 nan 8.190 nan 0.000 0.459 79 F N 5.121 124.804 119.950 -0.445 0.000 2.432 79 F HA 0.504 5.030 4.527 -0.002 0.000 0.329 79 F C 0.540 176.056 175.800 -0.474 0.000 1.076 79 F CA -0.666 57.017 58.000 -0.528 0.000 1.018 79 F CB 1.290 39.751 39.000 -0.899 0.000 1.201 79 F HN 0.486 nan 8.300 nan 0.000 0.489 80 N N 1.097 119.740 118.700 -0.096 0.000 2.438 80 N HA 0.353 5.092 4.740 -0.002 0.000 0.282 80 N C 0.288 175.747 175.510 -0.084 0.000 1.037 80 N CA 0.078 53.100 53.050 -0.048 0.000 0.942 80 N CB 1.918 40.444 38.487 0.066 0.000 1.136 80 N HN 0.749 nan 8.380 nan 0.000 0.481 81 A N 3.164 125.892 122.820 -0.154 0.000 1.970 81 A HA -0.069 4.250 4.320 -0.002 0.000 0.216 81 A C 1.789 179.086 177.584 -0.480 0.000 1.170 81 A CA 0.992 52.840 52.037 -0.315 0.000 0.645 81 A CB -0.219 18.468 19.000 -0.521 0.000 0.816 81 A HN 0.738 nan 8.150 nan 0.000 0.447 82 E N -0.916 118.992 120.200 -0.487 0.000 2.076 82 E HA -0.091 4.258 4.350 -0.002 0.000 0.190 82 E C 0.967 177.361 176.600 -0.343 0.000 0.979 82 E CA 1.345 57.477 56.400 -0.445 0.000 0.807 82 E CB -0.274 29.066 29.700 -0.599 0.000 0.761 82 E HN 0.637 nan 8.360 nan 0.000 0.454 83 Y N -1.286 119.016 120.300 0.002 0.000 2.467 83 Y HA 0.388 4.937 4.550 -0.002 0.000 0.250 83 Y C 1.683 177.582 175.900 -0.001 0.000 1.155 83 Y CA 0.144 58.248 58.100 0.008 0.000 1.249 83 Y CB 0.610 39.079 38.460 0.014 0.000 1.146 83 Y HN 0.188 nan 8.280 nan 0.000 0.524 84 G N 0.886 109.748 108.800 0.103 0.000 2.412 84 G HA2 -0.409 3.550 3.960 -0.002 0.000 0.252 84 G HA3 -0.409 3.550 3.960 -0.002 0.000 0.252 84 G C 0.662 175.607 174.900 0.075 0.000 1.038 84 G CA 0.520 45.674 45.100 0.090 0.000 0.628 84 G HN 0.518 nan 8.290 nan 0.000 0.531 85 N N 1.106 119.843 118.700 0.063 0.000 2.307 85 N HA 0.379 5.118 4.740 -0.002 0.000 0.230 85 N C 0.011 175.449 175.510 -0.120 0.000 1.297 85 N CA 1.239 54.280 53.050 -0.015 0.000 0.884 85 N CB 0.826 39.320 38.487 0.012 0.000 1.115 85 N HN 1.036 nan 8.380 nan 0.000 0.436 86 S N -0.887 114.681 115.700 -0.220 0.000 2.607 86 S HA 0.659 5.128 4.470 -0.002 0.000 0.273 86 S C -1.078 173.369 174.600 -0.255 0.000 1.148 86 S CA -0.971 56.999 58.200 -0.383 0.000 0.833 86 S CB 1.597 64.242 63.200 -0.924 0.000 1.130 86 S HN 0.656 nan 8.310 nan 0.000 0.470 87 S N 0.245 115.807 115.700 -0.230 0.000 2.599 87 S HA 0.668 5.137 4.470 -0.002 0.000 0.287 87 S C -0.916 173.620 174.600 -0.107 0.000 1.105 87 S CA -0.729 57.392 58.200 -0.131 0.000 0.899 87 S CB 1.830 64.992 63.200 -0.064 0.000 1.100 87 S HN 1.168 nan 8.310 nan 0.000 0.482 88 V N 3.480 123.348 119.914 -0.077 0.000 2.432 88 V HA 0.430 4.549 4.120 -0.002 0.000 0.271 88 V C 0.238 176.327 176.094 -0.007 0.000 1.046 88 V CA -0.001 62.273 62.300 -0.043 0.000 0.945 88 V CB 0.215 32.000 31.823 -0.064 0.000 0.992 88 V HN 0.930 nan 8.190 nan 0.000 0.471 89 F N 6.154 126.048 119.950 -0.094 0.000 2.179 89 F HA 0.383 4.909 4.527 -0.002 0.000 0.292 89 F C 0.611 176.356 175.800 -0.091 0.000 1.089 89 F CA 0.920 58.868 58.000 -0.087 0.000 1.295 89 F CB 0.504 39.453 39.000 -0.085 0.000 1.041 89 F HN 0.396 nan 8.300 nan 0.000 0.487 90 L N 1.821 123.091 121.223 0.079 0.000 2.441 90 L HA 0.305 4.644 4.340 -0.002 0.000 0.270 90 L C -0.879 175.954 176.870 -0.062 0.000 0.973 90 L CA -0.444 54.380 54.840 -0.026 0.000 0.842 90 L CB 1.542 43.671 42.059 0.116 0.000 1.239 90 L HN 0.029 nan 8.230 nan 0.000 0.406 91 E N 2.061 122.188 120.200 -0.121 0.000 2.414 91 E HA -0.068 4.281 4.350 -0.002 0.000 0.263 91 E C 1.040 177.577 176.600 -0.105 0.000 1.000 91 E CA -0.024 56.309 56.400 -0.112 0.000 0.914 91 E CB 0.955 30.576 29.700 -0.132 0.000 0.948 91 E HN 0.633 nan 8.360 nan 0.000 0.444 92 N N 1.488 120.146 118.700 -0.069 0.000 2.205 92 N HA -0.222 4.516 4.740 -0.002 0.000 0.186 92 N C 1.143 176.622 175.510 -0.052 0.000 1.015 92 N CA 1.896 54.919 53.050 -0.044 0.000 0.862 92 N CB -0.415 38.053 38.487 -0.032 0.000 0.986 92 N HN 0.308 nan 8.380 nan 0.000 0.429 93 S N -2.270 113.381 115.700 -0.081 0.000 2.603 93 S HA 0.094 4.563 4.470 -0.002 0.000 0.220 93 S C 1.467 175.971 174.600 -0.161 0.000 0.967 93 S CA 0.229 58.377 58.200 -0.086 0.000 0.920 93 S CB -0.580 62.576 63.200 -0.073 0.000 0.773 93 S HN 0.261 nan 8.310 nan 0.000 0.529 94 T N 1.848 116.234 114.554 -0.279 0.000 2.759 94 T HA 0.008 4.357 4.350 -0.002 0.000 0.269 94 T C 0.093 174.341 174.700 -0.754 0.000 1.042 94 T CA 1.214 62.966 62.100 -0.580 0.000 1.140 94 T CB -0.403 67.964 68.868 -0.835 0.000 0.864 94 T HN 0.563 nan 8.240 nan 0.000 0.455 95 F N 1.128 120.989 119.950 -0.148 0.000 2.963 95 F HA 0.362 4.888 4.527 -0.002 0.000 0.321 95 F C 0.854 176.645 175.800 -0.015 0.000 1.234 95 F CA -1.259 56.660 58.000 -0.135 0.000 1.296 95 F CB 0.084 38.929 39.000 -0.259 0.000 0.981 95 F HN -0.054 nan 8.300 nan 0.000 0.507 96 D N 0.090 120.534 120.400 0.073 0.000 2.123 96 D HA -0.101 4.538 4.640 -0.002 0.000 0.200 96 D C 1.702 178.044 176.300 0.069 0.000 0.976 96 D CA 1.275 55.309 54.000 0.056 0.000 0.831 96 D CB 0.191 40.994 40.800 0.004 0.000 0.974 96 D HN 0.231 nan 8.370 nan 0.000 0.469 97 E N -0.590 119.660 120.200 0.083 0.000 2.496 97 E HA 0.020 4.369 4.350 -0.002 0.000 0.202 97 E C 0.728 177.403 176.600 0.125 0.000 1.021 97 E CA -0.342 56.097 56.400 0.066 0.000 1.015 97 E CB 0.105 29.828 29.700 0.039 0.000 1.102 97 E HN 0.171 nan 8.360 nan 0.000 0.452 98 F N 0.893 120.849 119.950 0.010 0.000 2.163 98 F HA 0.036 4.562 4.527 -0.002 0.000 0.297 98 F C 1.673 177.385 175.800 -0.145 0.000 1.094 98 F CA 2.019 60.012 58.000 -0.011 0.000 1.290 98 F CB 0.071 39.078 39.000 0.011 0.000 1.017 98 F HN 0.201 nan 8.300 nan 0.000 0.483 99 G N -0.320 108.295 108.800 -0.309 0.000 2.157 99 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.239 99 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.239 99 G C -0.284 174.096 174.900 -0.866 0.000 0.982 99 G CA 0.172 44.941 45.100 -0.552 0.000 0.650 99 G HN 0.661 nan 8.290 nan 0.000 0.527 100 H N -0.301 118.473 119.070 -0.493 0.000 2.759 100 H HA 0.596 5.151 4.556 -0.002 0.000 0.354 100 H C 0.114 175.411 175.328 -0.051 0.000 1.074 100 H CA -0.003 55.816 56.048 -0.381 0.000 1.226 100 H CB 1.765 30.980 29.762 -0.911 0.000 1.648 100 H HN 0.301 nan 8.280 nan 0.000 0.529 101 S N 3.846 119.615 115.700 0.115 0.000 2.465 101 S HA 0.114 4.583 4.470 -0.002 0.000 0.307 101 S C 0.097 174.783 174.600 0.145 0.000 1.187 101 S CA -0.639 57.629 58.200 0.113 0.000 1.141 101 S CB -0.875 62.369 63.200 0.074 0.000 1.108 101 S HN 0.417 nan 8.310 nan 0.000 0.525 102 I N 5.655 126.307 120.570 0.137 0.000 2.598 102 I HA 0.084 4.253 4.170 -0.002 0.000 0.284 102 I C 1.798 177.949 176.117 0.057 0.000 1.140 102 I CA 0.168 61.533 61.300 0.108 0.000 1.420 102 I CB 0.369 38.374 38.000 0.009 0.000 1.387 102 I HN 0.764 nan 8.210 nan 0.000 0.553 103 N N 3.212 121.936 118.700 0.040 0.000 2.395 103 N HA -0.030 4.709 4.740 -0.002 0.000 0.175 103 N C -0.085 175.375 175.510 -0.082 0.000 1.029 103 N CA 0.636 53.653 53.050 -0.055 0.000 0.897 103 N CB 0.454 38.879 38.487 -0.104 0.000 0.991 103 N HN 0.680 nan 8.380 nan 0.000 0.441 104 D N -1.576 118.805 120.400 -0.032 0.000 2.742 104 D HA 0.136 4.775 4.640 -0.002 0.000 0.262 104 D C -1.563 174.760 176.300 0.039 0.000 1.240 104 D CA -0.475 53.490 54.000 -0.057 0.000 0.752 104 D CB 0.639 41.379 40.800 -0.101 0.000 1.290 104 D HN 0.061 nan 8.370 nan 0.000 0.420 105 Y N -0.793 119.543 120.300 0.060 0.000 2.598 105 Y HA 0.814 5.363 4.550 -0.002 0.000 0.340 105 Y C -0.808 175.184 175.900 0.153 0.000 1.038 105 Y CA -1.101 57.056 58.100 0.094 0.000 1.100 105 Y CB 1.849 40.361 38.460 0.086 0.000 1.281 105 Y HN 0.137 nan 8.280 nan 0.000 0.488 106 S N 2.926 118.912 115.700 0.475 0.000 2.737 106 S HA 0.534 5.003 4.470 -0.002 0.000 0.269 106 S C -1.282 173.668 174.600 0.583 0.000 1.150 106 S CA -0.721 57.771 58.200 0.486 0.000 1.077 106 S CB -0.091 63.347 63.200 0.396 0.000 1.075 106 S HN 0.664 nan 8.310 nan 0.000 0.476 107 I N 4.391 125.192 120.570 0.386 0.000 2.529 107 I HA 0.229 4.398 4.170 -0.002 0.000 0.284 107 I C 1.103 177.098 176.117 -0.203 0.000 1.082 107 I CA -0.464 60.901 61.300 0.108 0.000 1.406 107 I CB 1.243 39.209 38.000 -0.058 0.000 1.405 107 I HN 0.719 nan 8.210 nan 0.000 0.548 108 S N 5.779 121.102 115.700 -0.628 0.000 2.579 108 S HA 0.155 4.624 4.470 -0.002 0.000 0.275 108 S C -1.806 172.529 174.600 -0.442 0.000 1.345 108 S CA -1.015 56.516 58.200 -1.116 0.000 1.031 108 S CB 0.675 63.062 63.200 -1.355 0.000 0.892 108 S HN 0.443 nan 8.310 nan 0.000 0.529 109 P HA -0.119 nan 4.420 nan 0.000 0.217 109 P C 0.419 177.644 177.300 -0.124 0.000 1.148 109 P CA 1.458 64.469 63.100 -0.148 0.000 0.828 109 P CB -0.200 31.433 31.700 -0.111 0.000 0.783 110 D N -1.954 118.352 120.400 -0.155 0.000 2.460 110 D HA 0.173 4.812 4.640 -0.002 0.000 0.229 110 D C 1.161 177.409 176.300 -0.086 0.000 1.170 110 D CA -0.367 53.569 54.000 -0.106 0.000 0.827 110 D CB -1.394 39.331 40.800 -0.124 0.000 0.973 110 D HN 0.075 nan 8.370 nan 0.000 0.496 111 G N 0.550 109.295 108.800 -0.091 0.000 2.420 111 G HA2 -0.428 3.531 3.960 -0.002 0.000 0.305 111 G HA3 -0.428 3.531 3.960 -0.002 0.000 0.305 111 G C 0.865 175.755 174.900 -0.016 0.000 0.971 111 G CA 0.982 46.078 45.100 -0.007 0.000 0.843 111 G HN 0.492 nan 8.290 nan 0.000 0.512 112 Q N -2.035 117.674 119.800 -0.151 0.000 2.250 112 Q HA 0.305 4.644 4.340 -0.002 0.000 0.200 112 Q C 0.212 175.838 176.000 -0.625 0.000 0.941 112 Q CA 0.637 56.204 55.803 -0.393 0.000 0.872 112 Q CB 0.403 28.867 28.738 -0.456 0.000 0.965 112 Q HN 0.555 nan 8.270 nan 0.000 0.480 113 F N -0.714 119.203 119.950 -0.055 0.000 2.603 113 F HA 0.505 5.031 4.527 -0.002 0.000 0.317 113 F C -0.598 175.263 175.800 0.101 0.000 1.066 113 F CA -1.108 56.911 58.000 0.031 0.000 0.941 113 F CB 1.613 40.651 39.000 0.064 0.000 1.291 113 F HN -0.214 nan 8.300 nan 0.000 0.472 114 I N 2.546 123.430 120.570 0.523 0.000 2.498 114 I HA 0.436 4.605 4.170 -0.002 0.000 0.290 114 I C -1.525 174.913 176.117 0.536 0.000 1.032 114 I CA -0.702 60.896 61.300 0.497 0.000 1.073 114 I CB 1.502 39.764 38.000 0.438 0.000 1.251 114 I HN 0.460 nan 8.210 nan 0.000 0.426 115 L N 7.669 129.233 121.223 0.569 0.000 2.326 115 L HA 0.464 4.803 4.340 -0.002 0.000 0.278 115 L C -1.045 175.978 176.870 0.256 0.000 1.092 115 L CA -0.654 54.406 54.840 0.366 0.000 0.810 115 L CB 1.222 43.437 42.059 0.260 0.000 1.153 115 L HN 0.534 nan 8.230 nan 0.000 0.439 116 L N 4.640 125.954 121.223 0.152 0.000 2.319 116 L HA 0.410 4.749 4.340 -0.002 0.000 0.281 116 L C -0.264 176.669 176.870 0.106 0.000 1.005 116 L CA -0.383 54.469 54.840 0.020 0.000 0.828 116 L CB 1.838 43.697 42.059 -0.333 0.000 1.227 116 L HN 0.583 nan 8.230 nan 0.000 0.415 117 E N 4.419 124.642 120.200 0.039 0.000 2.109 117 E HA 0.378 4.726 4.350 -0.002 0.000 0.278 117 E C -1.540 175.022 176.600 -0.063 0.000 0.954 117 E CA -0.493 55.772 56.400 -0.227 0.000 0.779 117 E CB 0.931 30.545 29.700 -0.144 0.000 1.093 117 E HN 0.458 nan 8.360 nan 0.000 0.401 118 Y N 1.916 122.059 120.300 -0.262 0.000 2.790 118 Y HA 0.483 5.032 4.550 -0.002 0.000 0.323 118 Y C 0.010 175.826 175.900 -0.139 0.000 1.230 118 Y CA -1.625 56.402 58.100 -0.122 0.000 1.121 118 Y CB 0.409 38.851 38.460 -0.030 0.000 1.328 118 Y HN 0.443 nan 8.280 nan 0.000 0.514 119 N N -0.376 118.351 118.700 0.045 0.000 2.727 119 N HA -0.298 4.440 4.740 -0.002 0.000 0.249 119 N C -1.266 174.227 175.510 -0.027 0.000 1.048 119 N CA 0.902 53.930 53.050 -0.036 0.000 0.714 119 N CB -1.678 36.686 38.487 -0.205 0.000 0.959 119 N HN 0.830 nan 8.380 nan 0.000 0.544 120 Y N 0.153 120.406 120.300 -0.079 0.000 2.496 120 Y HA 0.337 4.886 4.550 -0.002 0.000 0.334 120 Y C 0.017 175.905 175.900 -0.020 0.000 1.080 120 Y CA -0.232 57.832 58.100 -0.059 0.000 1.355 120 Y CB 0.710 39.105 38.460 -0.108 0.000 1.193 120 Y HN 0.004 nan 8.280 nan 0.000 0.523 121 V N 7.444 127.094 119.914 -0.440 0.000 2.483 121 V HA 0.258 4.376 4.120 -0.002 0.000 0.297 121 V C -0.253 175.512 176.094 -0.548 0.000 1.027 121 V CA -1.559 60.515 62.300 -0.377 0.000 0.855 121 V CB 1.357 33.072 31.823 -0.179 0.000 0.995 121 V HN 0.710 nan 8.190 nan 0.000 0.424 122 K N 3.215 123.336 120.400 -0.464 0.000 2.382 122 K HA 0.215 4.534 4.320 -0.002 0.000 0.275 122 K C 0.314 176.769 176.600 -0.243 0.000 1.009 122 K CA 0.139 56.257 56.287 -0.282 0.000 0.970 122 K CB 1.206 33.695 32.500 -0.018 0.000 0.934 122 K HN 0.865 nan 8.250 nan 0.000 0.479 123 Q N 2.868 122.497 119.800 -0.285 0.000 2.968 123 Q HA 0.180 4.519 4.340 -0.002 0.000 0.245 123 Q C -0.094 175.733 176.000 -0.289 0.000 1.136 123 Q CA -0.380 55.083 55.803 -0.568 0.000 0.410 123 Q CB 0.109 28.320 28.738 -0.880 0.000 5.262 123 Q HN 0.687 nan 8.270 nan 0.000 0.356 124 W N 0.263 121.572 121.300 0.014 0.000 1.896 124 W HA 0.368 5.026 4.660 -0.002 0.000 0.557 124 W C 1.756 178.272 176.519 -0.004 0.000 2.048 124 W CA -0.760 56.625 57.345 0.067 0.000 2.331 124 W CB -0.087 29.410 29.460 0.061 0.000 2.223 124 W HN 0.360 nan 8.180 nan 0.000 0.777 125 R N -0.560 120.061 120.500 0.201 0.000 2.091 125 R HA -0.176 4.162 4.340 -0.002 0.000 0.238 125 R C 1.704 177.841 176.300 -0.273 0.000 1.136 125 R CA 1.878 57.915 56.100 -0.105 0.000 0.959 125 R CB -0.399 29.731 30.300 -0.284 0.000 0.856 125 R HN 0.527 nan 8.270 nan 0.000 0.437 126 H N -1.374 117.772 119.070 0.128 0.000 2.800 126 H HA 0.152 4.707 4.556 -0.002 0.000 0.257 126 H C 0.590 176.012 175.328 0.157 0.000 0.967 126 H CA 0.474 56.615 56.048 0.155 0.000 1.192 126 H CB 0.229 30.056 29.762 0.108 0.000 1.441 126 H HN 0.135 nan 8.280 nan 0.000 0.461 127 S N 1.539 117.235 115.700 -0.007 0.000 2.576 127 S HA 0.349 4.818 4.470 -0.002 0.000 0.276 127 S C -0.336 174.114 174.600 -0.250 0.000 1.339 127 S CA -0.479 57.382 58.200 -0.566 0.000 1.039 127 S CB 0.463 62.858 63.200 -1.342 0.000 0.902 127 S HN 0.449 nan 8.310 nan 0.000 0.516 128 Y N -2.178 117.935 120.300 -0.311 0.000 2.620 128 Y HA 0.628 5.177 4.550 -0.002 0.000 0.331 128 Y C -0.863 174.986 175.900 -0.085 0.000 1.173 128 Y CA -1.017 56.924 58.100 -0.264 0.000 1.076 128 Y CB 0.468 38.733 38.460 -0.325 0.000 1.336 128 Y HN 0.843 nan 8.280 nan 0.000 0.459 129 T N 0.288 114.839 114.554 -0.006 0.000 2.918 129 T HA 1.009 5.358 4.350 -0.002 0.000 0.286 129 T C -0.434 174.297 174.700 0.051 0.000 1.026 129 T CA -0.128 61.996 62.100 0.040 0.000 1.031 129 T CB 1.737 70.600 68.868 -0.009 0.000 1.046 129 T HN 1.784 nan 8.240 nan 0.000 0.479 130 A N 1.096 123.947 122.820 0.052 0.000 2.610 130 A HA 0.778 5.097 4.320 -0.002 0.000 0.291 130 A C -0.447 176.939 177.584 -0.330 0.000 1.086 130 A CA -0.899 51.046 52.037 -0.153 0.000 0.677 130 A CB 1.407 20.296 19.000 -0.185 0.000 1.278 130 A HN 0.816 nan 8.150 nan 0.000 0.414 131 S N -0.689 114.600 115.700 -0.685 0.000 2.608 131 S HA 0.799 5.267 4.470 -0.002 0.000 0.291 131 S C -1.550 172.408 174.600 -1.071 0.000 1.146 131 S CA -0.058 57.643 58.200 -0.832 0.000 1.043 131 S CB 0.405 62.885 63.200 -1.200 0.000 1.037 131 S HN 0.435 nan 8.310 nan 0.000 0.520 132 Y N 0.738 120.762 120.300 -0.461 0.000 2.492 132 Y HA 0.441 4.990 4.550 -0.002 0.000 0.346 132 Y C -0.184 175.688 175.900 -0.047 0.000 0.997 132 Y CA -0.983 56.985 58.100 -0.219 0.000 1.025 132 Y CB 1.725 40.032 38.460 -0.255 0.000 1.263 132 Y HN 0.495 nan 8.280 nan 0.000 0.454 133 D N 2.198 122.757 120.400 0.265 0.000 2.419 133 D HA 0.605 5.244 4.640 -0.002 0.000 0.234 133 D C -0.910 175.477 176.300 0.146 0.000 1.014 133 D CA -0.352 53.776 54.000 0.214 0.000 0.919 133 D CB 2.417 43.417 40.800 0.334 0.000 1.366 133 D HN 0.406 nan 8.370 nan 0.000 0.490 134 I N 1.258 121.905 120.570 0.128 0.000 2.441 134 I HA 0.286 4.455 4.170 -0.002 0.000 0.295 134 I C -0.975 175.317 176.117 0.292 0.000 0.994 134 I CA -0.997 60.417 61.300 0.189 0.000 1.144 134 I CB 1.579 39.634 38.000 0.091 0.000 1.314 134 I HN 0.187 nan 8.210 nan 0.000 0.445 135 Y N 4.976 125.415 120.300 0.231 0.000 2.328 135 Y HA 0.307 4.855 4.550 -0.002 0.000 0.333 135 Y C -0.188 175.930 175.900 0.365 0.000 0.958 135 Y CA -0.853 57.406 58.100 0.264 0.000 1.167 135 Y CB 0.931 39.550 38.460 0.265 0.000 1.151 135 Y HN 0.528 nan 8.280 nan 0.000 0.470 136 D N 5.433 125.874 120.400 0.068 0.000 2.401 136 D HA 0.014 4.653 4.640 -0.002 0.000 0.254 136 D C 0.556 176.682 176.300 -0.291 0.000 1.192 136 D CA 0.626 54.641 54.000 0.025 0.000 0.885 136 D CB 1.164 41.981 40.800 0.028 0.000 1.147 136 D HN 0.864 nan 8.370 nan 0.000 0.478 137 L N 4.176 125.270 121.223 -0.215 0.000 2.162 137 L HA -0.070 4.269 4.340 -0.002 0.000 0.205 137 L C 2.079 178.814 176.870 -0.225 0.000 1.086 137 L CA 0.297 55.034 54.840 -0.172 0.000 0.778 137 L CB -0.185 41.827 42.059 -0.077 0.000 0.928 137 L HN 0.362 nan 8.230 nan 0.000 0.446 138 N N 0.301 118.849 118.700 -0.253 0.000 2.028 138 N HA -0.092 4.647 4.740 -0.002 0.000 0.194 138 N C 0.530 175.938 175.510 -0.170 0.000 1.050 138 N CA 1.109 54.038 53.050 -0.202 0.000 0.848 138 N CB -0.110 38.256 38.487 -0.203 0.000 1.038 138 N HN 0.196 nan 8.380 nan 0.000 0.423 139 K N 0.761 121.060 120.400 -0.168 0.000 2.219 139 K HA 0.186 4.505 4.320 -0.002 0.000 0.258 139 K C 0.040 176.508 176.600 -0.220 0.000 1.008 139 K CA 0.033 56.231 56.287 -0.147 0.000 0.928 139 K CB 0.683 33.118 32.500 -0.108 0.000 0.983 139 K HN 0.068 nan 8.250 nan 0.000 0.484 140 R N 2.108 122.487 120.500 -0.202 0.000 3.050 140 R HA 0.134 4.473 4.340 -0.002 0.000 0.275 140 R C -0.478 175.640 176.300 -0.303 0.000 1.373 140 R CA -0.151 55.779 56.100 -0.283 0.000 1.612 140 R CB 0.589 30.828 30.300 -0.103 0.000 1.218 140 R HN 0.477 nan 8.270 nan 0.000 0.621 141 Q N 0.904 120.407 119.800 -0.494 0.000 2.451 141 Q HA 0.434 4.773 4.340 -0.002 0.000 0.281 141 Q C -1.059 174.856 176.000 -0.142 0.000 1.099 141 Q CA -1.063 54.621 55.803 -0.198 0.000 0.806 141 Q CB 2.611 31.298 28.738 -0.085 0.000 1.419 141 Q HN 0.261 nan 8.270 nan 0.000 0.427 142 L N 2.165 123.487 121.223 0.165 0.000 2.292 142 L HA 0.321 4.660 4.340 -0.002 0.000 0.284 142 L C -0.283 176.678 176.870 0.151 0.000 1.065 142 L CA -0.382 54.622 54.840 0.274 0.000 0.806 142 L CB 0.766 43.023 42.059 0.329 0.000 1.175 142 L HN 0.456 nan 8.230 nan 0.000 0.431 143 I N 3.089 123.744 120.570 0.141 0.000 2.436 143 I HA 0.004 4.173 4.170 -0.002 0.000 0.289 143 I C 1.269 177.427 176.117 0.068 0.000 1.083 143 I CA 0.314 61.659 61.300 0.076 0.000 1.372 143 I CB 0.946 38.965 38.000 0.032 0.000 1.408 143 I HN 0.777 nan 8.210 nan 0.000 0.516 144 T N 2.818 117.401 114.554 0.048 0.000 3.010 144 T HA 0.064 4.413 4.350 -0.002 0.000 0.252 144 T C 0.629 175.330 174.700 0.002 0.000 1.047 144 T CA -0.070 62.052 62.100 0.036 0.000 1.140 144 T CB -0.074 68.817 68.868 0.037 0.000 0.885 144 T HN 0.483 nan 8.240 nan 0.000 0.464 145 E N 2.281 122.475 120.200 -0.009 0.000 2.313 145 E HA 0.289 4.638 4.350 -0.002 0.000 0.276 145 E C -0.139 176.427 176.600 -0.056 0.000 1.031 145 E CA -0.363 56.020 56.400 -0.030 0.000 0.857 145 E CB 0.267 29.952 29.700 -0.024 0.000 1.040 145 E HN 0.167 nan 8.360 nan 0.000 0.408 146 E N 1.052 121.208 120.200 -0.074 0.000 2.476 146 E HA -0.259 4.090 4.350 -0.002 0.000 0.251 146 E C -0.721 175.795 176.600 -0.140 0.000 1.130 146 E CA 0.522 56.859 56.400 -0.105 0.000 0.736 146 E CB -1.557 28.085 29.700 -0.097 0.000 1.298 146 E HN 0.525 nan 8.360 nan 0.000 0.400 147 R N -0.043 120.376 120.500 -0.135 0.000 2.638 147 R HA 0.120 4.459 4.340 -0.002 0.000 0.268 147 R C 1.069 177.196 176.300 -0.288 0.000 1.006 147 R CA 0.106 56.110 56.100 -0.160 0.000 1.088 147 R CB 0.201 30.433 30.300 -0.112 0.000 0.950 147 R HN 0.144 nan 8.270 nan 0.000 0.419 148 I N 4.798 125.153 120.570 -0.359 0.000 2.752 148 I HA -0.041 4.128 4.170 -0.002 0.000 0.289 148 I C -1.697 174.075 176.117 -0.575 0.000 1.197 148 I CA -1.199 59.717 61.300 -0.639 0.000 1.432 148 I CB 0.075 37.689 38.000 -0.645 0.000 1.359 148 I HN 0.344 nan 8.210 nan 0.000 0.571 149 P HA 0.036 nan 4.420 nan 0.000 0.269 149 P C -0.535 176.469 177.300 -0.493 0.000 1.215 149 P CA -0.214 62.430 63.100 -0.760 0.000 0.780 149 P CB 0.314 31.133 31.700 -1.469 0.000 0.898 150 N N 2.315 120.827 118.700 -0.313 0.000 2.237 150 N HA -0.089 4.650 4.740 -0.002 0.000 0.222 150 N C 0.594 176.109 175.510 0.008 0.000 1.311 150 N CA 0.576 53.532 53.050 -0.157 0.000 0.880 150 N CB -0.481 37.953 38.487 -0.090 0.000 1.106 150 N HN 0.453 nan 8.380 nan 0.000 0.435 151 N N -1.314 117.402 118.700 0.028 0.000 2.721 151 N HA -0.173 4.566 4.740 -0.002 0.000 0.249 151 N C -0.793 174.861 175.510 0.240 0.000 1.072 151 N CA 0.767 53.889 53.050 0.120 0.000 0.710 151 N CB -1.433 37.144 38.487 0.151 0.000 0.993 151 N HN 0.472 nan 8.380 nan 0.000 0.547 152 T N 0.616 115.288 114.554 0.196 0.000 2.919 152 T HA 0.109 4.458 4.350 -0.002 0.000 0.302 152 T C 1.676 176.505 174.700 0.216 0.000 1.031 152 T CA 0.053 62.289 62.100 0.226 0.000 1.127 152 T CB 1.368 70.273 68.868 0.062 0.000 0.952 152 T HN 0.186 nan 8.240 nan 0.000 0.540 153 Q N 1.271 121.192 119.800 0.201 0.000 2.302 153 Q HA 0.187 4.526 4.340 -0.002 0.000 0.202 153 Q C -0.074 176.071 176.000 0.240 0.000 0.936 153 Q CA 0.395 56.335 55.803 0.229 0.000 0.886 153 Q CB 0.735 29.552 28.738 0.132 0.000 0.986 153 Q HN 0.691 nan 8.270 nan 0.000 0.487 154 W N 0.084 121.318 121.300 -0.110 0.000 3.818 154 W HA 0.410 5.069 4.660 -0.002 0.000 0.283 154 W C -2.206 174.196 176.519 -0.195 0.000 1.265 154 W CA -0.678 56.561 57.345 -0.177 0.000 1.226 154 W CB 0.966 30.277 29.460 -0.249 0.000 1.281 154 W HN -0.345 nan 8.180 nan 0.000 0.539 155 V N 2.950 122.192 119.914 -1.119 0.000 2.914 155 V HA 0.854 4.973 4.120 -0.002 0.000 0.314 155 V C -0.389 174.990 176.094 -1.192 0.000 1.084 155 V CA -0.786 60.925 62.300 -0.982 0.000 0.963 155 V CB 1.614 32.751 31.823 -1.144 0.000 1.025 155 V HN 0.506 nan 8.190 nan 0.000 0.432 156 T N 1.333 115.516 114.554 -0.619 0.000 3.012 156 T HA 0.477 4.826 4.350 -0.002 0.000 0.330 156 T C -1.648 172.972 174.700 -0.132 0.000 1.321 156 T CA -0.378 61.543 62.100 -0.298 0.000 1.067 156 T CB 0.847 69.785 68.868 0.117 0.000 1.235 156 T HN 0.582 nan 8.240 nan 0.000 0.479 157 W N 2.785 124.087 121.300 0.003 0.000 2.129 157 W HA 0.485 5.144 4.660 -0.002 0.000 0.349 157 W C 1.198 177.547 176.519 -0.284 0.000 1.279 157 W CA -0.625 56.679 57.345 -0.068 0.000 1.306 157 W CB 0.561 29.994 29.460 -0.044 0.000 1.140 157 W HN 0.762 nan 8.180 nan 0.000 0.613 158 S N 1.177 116.630 115.700 -0.412 0.000 2.596 158 S HA 0.100 4.569 4.470 -0.002 0.000 0.260 158 S C -1.886 172.512 174.600 -0.336 0.000 1.336 158 S CA -0.967 56.593 58.200 -1.065 0.000 0.993 158 S CB 0.301 62.781 63.200 -1.199 0.000 0.923 158 S HN 0.286 nan 8.310 nan 0.000 0.567 159 P HA 0.284 nan 4.420 nan 0.000 0.245 159 P C -0.569 176.695 177.300 -0.060 0.000 1.212 159 P CA 0.346 63.421 63.100 -0.041 0.000 0.774 159 P CB 0.145 31.861 31.700 0.028 0.000 0.999 160 V N -1.621 118.210 119.914 -0.138 0.000 2.950 160 V HA 0.557 4.676 4.120 -0.002 0.000 0.295 160 V C 0.379 176.364 176.094 -0.182 0.000 1.297 160 V CA 0.064 62.288 62.300 -0.127 0.000 0.962 160 V CB 1.390 33.151 31.823 -0.104 0.000 1.081 160 V HN 0.388 nan 8.190 nan 0.000 0.432 161 G N 4.001 112.688 108.800 -0.189 0.000 2.553 161 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.242 161 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.242 161 G C 0.075 174.853 174.900 -0.204 0.000 1.277 161 G CA 0.636 45.567 45.100 -0.281 0.000 0.910 161 G HN 2.039 nan 8.290 nan 0.000 0.576 162 H N -0.929 118.149 119.070 0.013 0.000 2.750 162 H HA 0.467 5.022 4.556 -0.002 0.000 0.239 162 H C 0.341 175.883 175.328 0.357 0.000 1.210 162 H CA -0.337 55.793 56.048 0.137 0.000 0.936 162 H CB 0.099 29.980 29.762 0.199 0.000 2.074 162 H HN 0.446 nan 8.280 nan 0.000 0.622 163 K N 1.820 122.417 120.400 0.328 0.000 2.295 163 K HA 0.374 4.693 4.320 -0.002 0.000 0.270 163 K C -0.509 176.243 176.600 0.255 0.000 1.011 163 K CA -0.259 56.173 56.287 0.241 0.000 0.953 163 K CB 1.577 34.101 32.500 0.041 0.000 0.956 163 K HN 0.184 nan 8.250 nan 0.000 0.477 164 L N 1.612 122.963 121.223 0.212 0.000 2.365 164 L HA 0.531 4.870 4.340 -0.002 0.000 0.273 164 L C -0.670 176.366 176.870 0.277 0.000 1.000 164 L CA -0.818 54.076 54.840 0.091 0.000 0.819 164 L CB 2.022 43.979 42.059 -0.169 0.000 1.284 164 L HN 0.676 nan 8.230 nan 0.000 0.418 165 A N 2.960 125.966 122.820 0.309 0.000 2.318 165 A HA 0.761 5.080 4.320 -0.002 0.000 0.317 165 A C -1.355 176.234 177.584 0.008 0.000 1.159 165 A CA -0.386 51.702 52.037 0.086 0.000 0.799 165 A CB 0.755 19.735 19.000 -0.034 0.000 1.194 165 A HN 0.628 nan 8.150 nan 0.000 0.479 166 Y N 0.002 120.249 120.300 -0.087 0.000 2.570 166 Y HA 0.775 5.323 4.550 -0.002 0.000 0.345 166 Y C -0.986 174.903 175.900 -0.019 0.000 1.014 166 Y CA -1.777 56.239 58.100 -0.140 0.000 1.063 166 Y CB 1.302 39.604 38.460 -0.264 0.000 1.272 166 Y HN 0.295 nan 8.280 nan 0.000 0.477 167 V N 2.669 122.709 119.914 0.210 0.000 2.378 167 V HA 0.235 4.354 4.120 -0.002 0.000 0.288 167 V C -1.379 174.888 176.094 0.289 0.000 1.016 167 V CA -0.561 61.835 62.300 0.160 0.000 0.840 167 V CB 0.686 32.513 31.823 0.006 0.000 0.994 167 V HN 0.854 nan 8.190 nan 0.000 0.431 168 W N 5.024 126.382 121.300 0.096 0.000 2.739 168 W HA 0.466 5.124 4.660 -0.002 0.000 0.331 168 W C 0.610 177.134 176.519 0.008 0.000 1.049 168 W CA -0.949 56.404 57.345 0.013 0.000 1.234 168 W CB 1.161 30.569 29.460 -0.086 0.000 1.404 168 W HN 0.784 nan 8.180 nan 0.000 0.477 169 N N 4.628 122.941 118.700 -0.645 0.000 2.708 169 N HA -0.363 4.375 4.740 -0.002 0.000 0.249 169 N C -0.002 175.324 175.510 -0.307 0.000 1.097 169 N CA 1.125 53.800 53.050 -0.625 0.000 0.710 169 N CB -0.851 37.041 38.487 -0.991 0.000 1.032 169 N HN 0.735 nan 8.380 nan 0.000 0.551 170 N N -1.764 116.829 118.700 -0.179 0.000 2.979 170 N HA -0.131 4.608 4.740 -0.002 0.000 0.234 170 N C -1.590 173.847 175.510 -0.123 0.000 0.938 170 N CA 1.445 54.410 53.050 -0.141 0.000 0.961 170 N CB -0.492 37.873 38.487 -0.204 0.000 1.089 170 N HN 0.448 nan 8.380 nan 0.000 0.576 171 D N 0.107 120.463 120.400 -0.074 0.000 2.252 171 D HA 0.471 5.110 4.640 -0.002 0.000 0.245 171 D C 0.342 176.572 176.300 -0.116 0.000 1.009 171 D CA -0.416 53.503 54.000 -0.136 0.000 0.870 171 D CB 1.294 42.006 40.800 -0.147 0.000 1.251 171 D HN 0.039 nan 8.370 nan 0.000 0.460 172 I N 2.087 122.415 120.570 -0.403 0.000 2.395 172 I HA 0.143 4.312 4.170 -0.002 0.000 0.289 172 I C -0.508 175.254 176.117 -0.592 0.000 1.023 172 I CA -0.200 60.838 61.300 -0.436 0.000 1.350 172 I CB 0.364 37.972 38.000 -0.655 0.000 1.409 172 I HN 0.155 nan 8.210 nan 0.000 0.507 173 Y N 4.407 124.325 120.300 -0.636 0.000 2.562 173 Y HA 0.709 5.258 4.550 -0.002 0.000 0.343 173 Y C -0.209 175.324 175.900 -0.611 0.000 1.025 173 Y CA -1.000 56.658 58.100 -0.736 0.000 1.082 173 Y CB 1.880 39.599 38.460 -1.235 0.000 1.264 173 Y HN 0.112 nan 8.280 nan 0.000 0.478 174 V N 1.881 121.685 119.914 -0.184 0.000 2.789 174 V HA 0.501 4.620 4.120 -0.002 0.000 0.311 174 V C -1.010 175.138 176.094 0.091 0.000 1.073 174 V CA -1.354 60.947 62.300 0.001 0.000 0.921 174 V CB 2.184 34.071 31.823 0.106 0.000 1.009 174 V HN 0.582 nan 8.190 nan 0.000 0.426 175 K N 3.278 123.761 120.400 0.138 0.000 2.413 175 K HA 0.545 4.864 4.320 -0.002 0.000 0.257 175 K C 0.440 177.149 176.600 0.181 0.000 0.946 175 K CA -0.616 55.738 56.287 0.112 0.000 0.823 175 K CB 1.580 34.113 32.500 0.055 0.000 1.109 175 K HN 0.440 nan 8.250 nan 0.000 0.427 176 I N 1.245 121.939 120.570 0.205 0.000 2.233 176 I HA -0.056 4.113 4.170 -0.002 0.000 0.243 176 I C 0.249 176.474 176.117 0.180 0.000 1.093 176 I CA 1.347 62.787 61.300 0.234 0.000 1.380 176 I CB -0.147 38.018 38.000 0.274 0.000 1.067 176 I HN 0.562 nan 8.210 nan 0.000 0.413 177 E N 0.613 120.860 120.200 0.079 0.000 2.176 177 E HA 0.261 4.610 4.350 -0.002 0.000 0.267 177 E C -1.882 174.637 176.600 -0.135 0.000 0.893 177 E CA -2.179 54.201 56.400 -0.032 0.000 0.761 177 E CB 1.550 31.251 29.700 0.001 0.000 1.133 177 E HN -0.060 nan 8.360 nan 0.000 0.409 178 P HA -0.165 nan 4.420 nan 0.000 0.221 178 P C 0.596 177.751 177.300 -0.243 0.000 1.141 178 P CA 1.196 64.075 63.100 -0.369 0.000 0.794 178 P CB 0.253 31.436 31.700 -0.862 0.000 0.764 179 N N -2.146 116.451 118.700 -0.172 0.000 2.204 179 N HA 0.092 4.831 4.740 -0.002 0.000 0.219 179 N C -0.251 175.217 175.510 -0.069 0.000 1.151 179 N CA -0.006 52.988 53.050 -0.094 0.000 0.867 179 N CB -0.226 38.233 38.487 -0.048 0.000 1.043 179 N HN 0.043 nan 8.380 nan 0.000 0.516 180 L N 0.827 122.003 121.223 -0.079 0.000 2.334 180 L HA 0.600 4.939 4.340 -0.002 0.000 0.273 180 L C -2.326 174.472 176.870 -0.119 0.000 1.013 180 L CA -2.146 52.649 54.840 -0.075 0.000 0.816 180 L CB 1.735 43.764 42.059 -0.049 0.000 1.278 180 L HN -0.136 nan 8.230 nan 0.000 0.431 181 P HA 0.045 nan 4.420 nan 0.000 0.261 181 P C -0.802 176.298 177.300 -0.334 0.000 1.173 181 P CA 0.003 62.993 63.100 -0.184 0.000 0.760 181 P CB 0.301 31.907 31.700 -0.158 0.000 0.783 182 S N 3.086 118.652 115.700 -0.223 0.000 2.603 182 S HA 0.326 4.795 4.470 -0.002 0.000 0.268 182 S C -0.715 173.710 174.600 -0.293 0.000 1.317 182 S CA -0.381 57.692 58.200 -0.211 0.000 1.012 182 S CB 0.213 63.433 63.200 0.033 0.000 0.926 182 S HN 0.291 nan 8.310 nan 0.000 0.539 183 Y N 0.278 120.581 120.300 0.005 0.000 2.331 183 Y HA 0.425 4.974 4.550 -0.002 0.000 0.338 183 Y C 0.842 176.606 175.900 -0.226 0.000 0.976 183 Y CA -0.857 57.213 58.100 -0.050 0.000 1.137 183 Y CB 1.105 39.551 38.460 -0.023 0.000 1.172 183 Y HN 0.644 nan 8.280 nan 0.000 0.478 184 R N 3.880 124.259 120.500 -0.200 0.000 2.296 184 R HA 0.156 4.495 4.340 -0.002 0.000 0.323 184 R C 0.276 176.265 176.300 -0.519 0.000 1.067 184 R CA -0.033 55.609 56.100 -0.763 0.000 0.946 184 R CB 0.250 29.920 30.300 -1.050 0.000 0.991 184 R HN 0.758 nan 8.270 nan 0.000 0.448 185 I N 2.135 122.337 120.570 -0.612 0.000 2.385 185 I HA -0.050 4.119 4.170 -0.002 0.000 0.244 185 I C 1.252 177.178 176.117 -0.320 0.000 1.089 185 I CA 1.131 62.215 61.300 -0.360 0.000 1.410 185 I CB -0.999 36.750 38.000 -0.420 0.000 1.117 185 I HN 0.587 nan 8.210 nan 0.000 0.429 186 T N -3.539 110.698 114.554 -0.530 0.000 2.940 186 T HA 0.388 4.737 4.350 -0.002 0.000 0.288 186 T C -0.327 174.107 174.700 -0.444 0.000 1.033 186 T CA -0.497 61.396 62.100 -0.344 0.000 1.033 186 T CB 2.083 70.710 68.868 -0.402 0.000 1.079 186 T HN 0.238 nan 8.240 nan 0.000 0.496 187 W N -0.601 120.589 121.300 -0.184 0.000 2.355 187 W HA 0.196 4.855 4.660 -0.002 0.000 0.303 187 W C 2.103 178.567 176.519 -0.092 0.000 0.939 187 W CA 0.013 57.287 57.345 -0.119 0.000 1.377 187 W CB 0.005 29.416 29.460 -0.083 0.000 1.048 187 W HN 0.876 nan 8.180 nan 0.000 0.542 188 T N -2.063 112.542 114.554 0.084 0.000 3.113 188 T HA 0.223 4.572 4.350 -0.002 0.000 0.256 188 T C 1.197 175.891 174.700 -0.009 0.000 1.131 188 T CA 0.410 62.535 62.100 0.041 0.000 1.074 188 T CB -0.270 68.615 68.868 0.027 0.000 0.944 188 T HN 0.014 nan 8.240 nan 0.000 0.516 189 G N 1.186 109.953 108.800 -0.054 0.000 2.361 189 G HA2 0.444 4.403 3.960 -0.002 0.000 0.260 189 G HA3 0.444 4.403 3.960 -0.002 0.000 0.260 189 G C -0.713 174.119 174.900 -0.112 0.000 1.261 189 G CA -0.607 44.434 45.100 -0.098 0.000 0.897 189 G HN 0.477 nan 8.290 nan 0.000 0.499 190 K N 2.024 122.341 120.400 -0.137 0.000 2.507 190 K HA 0.235 4.554 4.320 -0.002 0.000 0.251 190 K C 0.009 176.486 176.600 -0.205 0.000 0.943 190 K CA -0.729 55.475 56.287 -0.139 0.000 0.794 190 K CB 1.691 34.145 32.500 -0.078 0.000 1.188 190 K HN 0.587 nan 8.250 nan 0.000 0.428 191 E N 3.613 123.698 120.200 -0.192 0.000 2.820 191 E HA -0.200 4.149 4.350 -0.002 0.000 0.251 191 E C -0.633 175.870 176.600 -0.161 0.000 0.944 191 E CA 1.053 57.338 56.400 -0.192 0.000 0.955 191 E CB 0.147 29.768 29.700 -0.132 0.000 0.904 191 E HN 0.676 nan 8.360 nan 0.000 0.513 192 D N 2.493 122.771 120.400 -0.203 0.000 3.059 192 D HA -0.243 4.396 4.640 -0.002 0.000 0.220 192 D C 0.413 176.724 176.300 0.019 0.000 1.169 192 D CA 1.445 55.434 54.000 -0.017 0.000 0.902 192 D CB -0.909 39.939 40.800 0.080 0.000 1.116 192 D HN 0.511 nan 8.370 nan 0.000 0.417 193 I N -1.070 119.422 120.570 -0.131 0.000 3.814 193 I HA 0.072 4.241 4.170 -0.002 0.000 0.264 193 I C 0.281 176.437 176.117 0.064 0.000 1.145 193 I CA 0.066 61.381 61.300 0.026 0.000 1.375 193 I CB 0.698 38.703 38.000 0.008 0.000 1.638 193 I HN -0.157 nan 8.210 nan 0.000 0.432 194 I N 1.336 121.852 120.570 -0.091 0.000 2.389 194 I HA 0.269 4.438 4.170 -0.002 0.000 0.288 194 I C -1.451 174.618 176.117 -0.080 0.000 0.999 194 I CA -0.705 60.614 61.300 0.031 0.000 1.129 194 I CB 0.821 38.833 38.000 0.020 0.000 1.288 194 I HN 0.038 nan 8.210 nan 0.000 0.444 195 Y N 4.834 125.223 120.300 0.148 0.000 2.356 195 Y HA 0.388 4.937 4.550 -0.002 0.000 0.334 195 Y C 0.444 176.402 175.900 0.097 0.000 0.958 195 Y CA -0.749 57.440 58.100 0.149 0.000 1.196 195 Y CB 0.885 39.516 38.460 0.286 0.000 1.137 195 Y HN 0.392 nan 8.280 nan 0.000 0.485 196 N N 2.751 121.495 118.700 0.073 0.000 2.485 196 N HA 0.297 5.036 4.740 -0.002 0.000 0.243 196 N C 0.855 176.278 175.510 -0.144 0.000 0.987 196 N CA 0.420 53.426 53.050 -0.074 0.000 0.940 196 N CB 1.615 39.946 38.487 -0.260 0.000 1.122 196 N HN 1.005 nan 8.380 nan 0.000 0.509 197 G N 1.672 110.427 108.800 -0.075 0.000 2.148 197 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.254 197 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.254 197 G C 0.113 174.868 174.900 -0.242 0.000 0.981 197 G CA 0.732 45.724 45.100 -0.180 0.000 0.670 197 G HN 0.646 nan 8.290 nan 0.000 0.528 198 I N -2.941 117.552 120.570 -0.128 0.000 3.174 198 I HA 0.859 5.028 4.170 -0.002 0.000 0.313 198 I C 0.223 176.340 176.117 0.000 0.000 1.155 198 I CA -0.847 60.275 61.300 -0.297 0.000 0.977 198 I CB 1.891 39.494 38.000 -0.662 0.000 1.248 198 I HN 0.129 nan 8.210 nan 0.000 0.453 199 T N -0.666 113.825 114.554 -0.105 0.000 2.907 199 T HA 0.415 4.764 4.350 -0.002 0.000 0.284 199 T C -0.338 174.180 174.700 -0.303 0.000 1.004 199 T CA -0.730 61.195 62.100 -0.291 0.000 1.063 199 T CB 1.289 70.090 68.868 -0.111 0.000 0.992 199 T HN 0.758 nan 8.240 nan 0.000 0.483 200 D N 0.976 120.881 120.400 -0.824 0.000 2.414 200 D HA -0.008 4.631 4.640 -0.002 0.000 0.259 200 D C 0.971 177.205 176.300 -0.111 0.000 1.269 200 D CA -0.981 52.581 54.000 -0.729 0.000 1.028 200 D CB 0.271 40.535 40.800 -0.893 0.000 1.093 200 D HN 0.687 nan 8.370 nan 0.000 0.545 201 W N 0.249 121.518 121.300 -0.052 0.000 2.315 201 W HA -0.263 4.396 4.660 -0.002 0.000 0.323 201 W C 2.230 178.661 176.519 -0.145 0.000 1.233 201 W CA 3.195 60.509 57.345 -0.052 0.000 1.267 201 W CB -0.589 28.793 29.460 -0.131 0.000 1.160 201 W HN 0.236 nan 8.180 nan 0.000 0.474 202 V N -1.416 118.549 119.914 0.085 0.000 2.295 202 V HA -0.348 3.771 4.120 -0.002 0.000 0.246 202 V C 1.849 177.759 176.094 -0.306 0.000 1.049 202 V CA 1.966 64.180 62.300 -0.143 0.000 1.024 202 V CB -1.843 29.892 31.823 -0.146 0.000 0.648 202 V HN 0.284 nan 8.190 nan 0.000 0.447 203 Y N 1.033 121.172 120.300 -0.268 0.000 2.145 203 Y HA -0.202 4.346 4.550 -0.002 0.000 0.286 203 Y C 2.904 178.702 175.900 -0.169 0.000 1.145 203 Y CA 2.298 60.253 58.100 -0.243 0.000 1.148 203 Y CB -0.282 37.948 38.460 -0.383 0.000 0.981 203 Y HN 0.290 nan 8.280 nan 0.000 0.507 204 E N 0.193 120.365 120.200 -0.046 0.000 2.065 204 E HA -0.356 3.993 4.350 -0.002 0.000 0.201 204 E C 2.010 178.544 176.600 -0.110 0.000 1.016 204 E CA 1.943 58.321 56.400 -0.036 0.000 0.818 204 E CB -0.052 29.622 29.700 -0.044 0.000 0.749 204 E HN 0.479 nan 8.360 nan 0.000 0.453 205 E N -0.264 119.702 120.200 -0.389 0.000 2.102 205 E HA -0.093 4.256 4.350 -0.002 0.000 0.190 205 E C 1.615 178.083 176.600 -0.220 0.000 0.971 205 E CA 1.098 57.259 56.400 -0.399 0.000 0.821 205 E CB 0.232 29.363 29.700 -0.949 0.000 0.777 205 E HN 0.161 nan 8.360 nan 0.000 0.460 206 E N -0.554 119.490 120.200 -0.259 0.000 2.431 206 E HA 0.107 4.456 4.350 -0.002 0.000 0.200 206 E C 1.506 177.964 176.600 -0.237 0.000 0.995 206 E CA 0.306 56.596 56.400 -0.183 0.000 0.915 206 E CB 1.087 30.668 29.700 -0.199 0.000 0.930 206 E HN 0.185 nan 8.360 nan 0.000 0.496 207 V N -0.353 119.387 119.914 -0.290 0.000 2.988 207 V HA 0.046 4.165 4.120 -0.002 0.000 0.223 207 V C 1.424 177.339 176.094 -0.300 0.000 1.144 207 V CA 0.591 62.655 62.300 -0.392 0.000 1.242 207 V CB -0.440 31.037 31.823 -0.577 0.000 1.073 207 V HN 0.003 nan 8.190 nan 0.000 0.508 208 F N 0.894 120.875 119.950 0.052 0.000 2.789 208 F HA 0.249 4.775 4.527 -0.002 0.000 0.300 208 F C 1.585 177.352 175.800 -0.055 0.000 1.132 208 F CA 0.268 58.303 58.000 0.058 0.000 1.404 208 F CB -0.583 38.497 39.000 0.133 0.000 1.114 208 F HN 0.109 nan 8.300 nan 0.000 0.584 209 S N 0.469 116.178 115.700 0.017 0.000 3.486 209 S HA -0.042 4.427 4.470 -0.002 0.000 0.371 209 S C 0.174 174.372 174.600 -0.669 0.000 1.001 209 S CA 0.432 58.487 58.200 -0.240 0.000 1.164 209 S CB -1.637 61.476 63.200 -0.145 0.000 0.911 209 S HN 0.617 nan 8.310 nan 0.000 0.472 210 A N -0.529 122.124 122.820 -0.279 0.000 2.610 210 A HA 0.731 5.050 4.320 -0.002 0.000 0.291 210 A C -0.177 177.390 177.584 -0.027 0.000 1.086 210 A CA -0.558 51.343 52.037 -0.227 0.000 0.677 210 A CB 0.405 19.283 19.000 -0.204 0.000 1.278 210 A HN 0.219 nan 8.150 nan 0.000 0.414 211 Y N 1.018 121.161 120.300 -0.262 0.000 2.365 211 Y HA 0.199 4.748 4.550 -0.002 0.000 0.293 211 Y C 1.540 177.150 175.900 -0.483 0.000 1.119 211 Y CA 0.960 58.899 58.100 -0.270 0.000 1.203 211 Y CB -0.047 38.272 38.460 -0.236 0.000 1.026 211 Y HN 0.582 nan 8.280 nan 0.000 0.549 212 S N 0.283 115.492 115.700 -0.819 0.000 2.549 212 S HA 0.427 4.896 4.470 -0.002 0.000 0.283 212 S C 0.456 174.544 174.600 -0.854 0.000 1.320 212 S CA 0.296 57.784 58.200 -1.186 0.000 1.058 212 S CB 0.411 62.649 63.200 -1.604 0.000 0.882 212 S HN 0.399 nan 8.310 nan 0.000 0.498 213 A N 5.496 127.800 122.820 -0.859 0.000 2.610 213 A HA 0.466 4.784 4.320 -0.002 0.000 0.290 213 A C -0.336 176.465 177.584 -1.305 0.000 1.001 213 A CA -0.420 51.018 52.037 -0.999 0.000 1.004 213 A CB 0.056 18.883 19.000 -0.288 0.000 1.220 213 A HN 0.683 nan 8.150 nan 0.000 0.507 214 L N 0.123 120.566 121.223 -1.300 0.000 2.334 214 L HA 0.629 4.968 4.340 -0.002 0.000 0.273 214 L C -0.867 175.402 176.870 -1.002 0.000 1.013 214 L CA -0.692 53.643 54.840 -0.841 0.000 0.816 214 L CB 1.619 43.454 42.059 -0.374 0.000 1.278 214 L HN 0.400 nan 8.230 nan 0.000 0.431 215 W N 1.673 123.021 121.300 0.079 0.000 2.835 215 W HA 0.204 4.863 4.660 -0.002 0.000 0.326 215 W C -1.380 175.398 176.519 0.431 0.000 1.024 215 W CA -1.054 56.480 57.345 0.314 0.000 1.267 215 W CB 1.120 30.808 29.460 0.380 0.000 1.267 215 W HN 0.486 nan 8.180 nan 0.000 0.412 216 W N 2.578 124.131 121.300 0.421 0.000 2.216 216 W HA 0.238 4.897 4.660 -0.002 0.000 0.326 216 W C 1.348 177.710 176.519 -0.261 0.000 1.319 216 W CA 0.344 57.792 57.345 0.173 0.000 1.213 216 W CB 0.801 30.318 29.460 0.094 0.000 1.171 216 W HN 0.224 nan 8.180 nan 0.000 0.557 217 S N 3.387 118.718 115.700 -0.614 0.000 2.563 217 S HA 0.005 4.474 4.470 -0.002 0.000 0.284 217 S C -1.580 172.750 174.600 -0.450 0.000 1.331 217 S CA -0.841 56.505 58.200 -1.424 0.000 1.047 217 S CB 0.838 63.398 63.200 -1.066 0.000 0.859 217 S HN 0.329 nan 8.310 nan 0.000 0.514 218 P HA -0.124 nan 4.420 nan 0.000 0.218 218 P C 1.269 178.520 177.300 -0.083 0.000 1.146 218 P CA 1.110 64.159 63.100 -0.085 0.000 0.813 218 P CB -0.079 31.619 31.700 -0.003 0.000 0.778 219 N N -0.848 117.779 118.700 -0.123 0.000 2.166 219 N HA -0.104 4.634 4.740 -0.002 0.000 0.186 219 N C 1.467 176.906 175.510 -0.117 0.000 1.019 219 N CA 1.886 54.867 53.050 -0.115 0.000 0.856 219 N CB -0.732 37.659 38.487 -0.160 0.000 0.993 219 N HN 0.180 nan 8.380 nan 0.000 0.426 220 G N -2.164 106.584 108.800 -0.088 0.000 2.157 220 G HA2 -0.268 3.691 3.960 -0.002 0.000 0.248 220 G HA3 -0.268 3.691 3.960 -0.002 0.000 0.248 220 G C 1.064 176.027 174.900 0.105 0.000 0.979 220 G CA 0.990 46.052 45.100 -0.064 0.000 0.650 220 G HN 0.408 nan 8.290 nan 0.000 0.529 221 T N 0.104 114.624 114.554 -0.057 0.000 2.770 221 T HA 0.276 4.625 4.350 -0.002 0.000 0.258 221 T C 0.702 175.330 174.700 -0.120 0.000 1.039 221 T CA 1.098 63.056 62.100 -0.236 0.000 1.143 221 T CB -0.063 68.403 68.868 -0.669 0.000 0.866 221 T HN 0.215 nan 8.240 nan 0.000 0.428 222 F N 1.000 121.026 119.950 0.127 0.000 2.404 222 F HA 0.520 5.046 4.527 -0.002 0.000 0.339 222 F C -0.004 175.854 175.800 0.098 0.000 1.105 222 F CA -1.764 56.324 58.000 0.146 0.000 1.087 222 F CB 0.694 39.839 39.000 0.242 0.000 1.143 222 F HN -0.024 nan 8.300 nan 0.000 0.491 223 L N 3.591 124.911 121.223 0.161 0.000 2.294 223 L HA 0.694 5.033 4.340 -0.002 0.000 0.283 223 L C -0.454 176.465 176.870 0.081 0.000 1.015 223 L CA -0.524 54.218 54.840 -0.164 0.000 0.831 223 L CB 0.767 42.510 42.059 -0.527 0.000 1.217 223 L HN 0.780 nan 8.230 nan 0.000 0.420 224 A N 4.940 127.867 122.820 0.179 0.000 2.312 224 A HA 0.748 5.067 4.320 -0.002 0.000 0.328 224 A C -1.399 176.210 177.584 0.041 0.000 1.158 224 A CA -0.330 51.682 52.037 -0.042 0.000 0.821 224 A CB 1.043 20.004 19.000 -0.064 0.000 1.170 224 A HN 0.703 nan 8.150 nan 0.000 0.490 225 Y N -1.532 118.562 120.300 -0.343 0.000 2.552 225 Y HA 0.722 5.271 4.550 -0.002 0.000 0.337 225 Y C -0.259 175.503 175.900 -0.230 0.000 1.094 225 Y CA -0.881 57.097 58.100 -0.203 0.000 1.028 225 Y CB 0.721 39.022 38.460 -0.266 0.000 1.321 225 Y HN 0.914 nan 8.280 nan 0.000 0.456 226 A N 2.994 125.887 122.820 0.122 0.000 2.279 226 A HA 0.656 4.975 4.320 -0.002 0.000 0.303 226 A C -0.823 176.659 177.584 -0.169 0.000 1.108 226 A CA -0.721 51.282 52.037 -0.057 0.000 0.830 226 A CB 1.408 20.336 19.000 -0.120 0.000 1.106 226 A HN 0.810 nan 8.150 nan 0.000 0.493 227 Q N 0.861 120.479 119.800 -0.302 0.000 2.274 227 Q HA 0.537 4.875 4.340 -0.002 0.000 0.268 227 Q C -2.115 173.714 176.000 -0.285 0.000 1.015 227 Q CA -0.293 55.416 55.803 -0.158 0.000 0.775 227 Q CB 1.138 29.932 28.738 0.093 0.000 1.256 227 Q HN 0.609 nan 8.270 nan 0.000 0.442 228 F N 2.185 122.249 119.950 0.190 0.000 2.443 228 F HA 0.408 4.934 4.527 -0.002 0.000 0.335 228 F C 0.550 176.524 175.800 0.292 0.000 1.104 228 F CA -0.878 57.233 58.000 0.185 0.000 1.013 228 F CB 1.254 40.291 39.000 0.062 0.000 1.136 228 F HN 0.400 nan 8.300 nan 0.000 0.470 229 N N 1.978 120.927 118.700 0.415 0.000 2.558 229 N HA 0.204 4.943 4.740 -0.002 0.000 0.242 229 N C -0.717 174.981 175.510 0.314 0.000 0.979 229 N CA -0.260 52.981 53.050 0.319 0.000 0.931 229 N CB 0.813 39.428 38.487 0.214 0.000 1.122 229 N HN 0.534 nan 8.380 nan 0.000 0.508 230 D N 1.049 121.660 120.400 0.352 0.000 2.368 230 D HA 0.105 4.744 4.640 -0.002 0.000 0.218 230 D C 1.255 177.678 176.300 0.205 0.000 1.112 230 D CA 0.223 54.403 54.000 0.301 0.000 0.834 230 D CB 0.533 41.579 40.800 0.410 0.000 0.953 230 D HN 0.451 nan 8.370 nan 0.000 0.505 231 T N 0.346 115.000 114.554 0.167 0.000 2.649 231 T HA -0.227 4.122 4.350 -0.002 0.000 0.268 231 T C 1.299 176.056 174.700 0.095 0.000 1.036 231 T CA 1.332 63.500 62.100 0.114 0.000 1.157 231 T CB -0.061 68.862 68.868 0.092 0.000 0.861 231 T HN 0.287 nan 8.240 nan 0.000 0.445 232 E N 0.422 120.679 120.200 0.095 0.000 2.451 232 E HA 0.189 4.538 4.350 -0.002 0.000 0.194 232 E C -0.738 175.910 176.600 0.081 0.000 1.027 232 E CA -0.202 56.242 56.400 0.075 0.000 0.914 232 E CB 0.616 30.353 29.700 0.063 0.000 1.054 232 E HN 0.208 nan 8.360 nan 0.000 0.461 233 V N 3.268 123.244 119.914 0.104 0.000 2.406 233 V HA 0.169 4.288 4.120 -0.002 0.000 0.272 233 V C -2.023 174.126 176.094 0.093 0.000 1.043 233 V CA -1.794 60.571 62.300 0.107 0.000 0.915 233 V CB 0.726 32.633 31.823 0.139 0.000 0.988 233 V HN 0.069 nan 8.190 nan 0.000 0.466 234 P HA 0.205 nan 4.420 nan 0.000 0.269 234 P C -0.793 176.536 177.300 0.050 0.000 1.217 234 P CA -0.153 62.979 63.100 0.054 0.000 0.783 234 P CB 0.480 32.210 31.700 0.049 0.000 0.898 235 L N 1.861 123.089 121.223 0.009 0.000 2.307 235 L HA 0.441 4.780 4.340 -0.002 0.000 0.284 235 L C 0.345 177.154 176.870 -0.102 0.000 1.023 235 L CA -1.009 53.817 54.840 -0.024 0.000 0.810 235 L CB 1.097 43.137 42.059 -0.031 0.000 1.231 235 L HN 0.289 nan 8.230 nan 0.000 0.423 236 I N 2.796 123.256 120.570 -0.184 0.000 2.441 236 I HA 0.177 4.346 4.170 -0.002 0.000 0.287 236 I C -0.264 175.681 176.117 -0.287 0.000 1.049 236 I CA 0.438 61.523 61.300 -0.359 0.000 1.381 236 I CB 0.604 38.112 38.000 -0.820 0.000 1.409 236 I HN 0.573 nan 8.210 nan 0.000 0.523 237 E N 7.561 127.613 120.200 -0.247 0.000 2.218 237 E HA 0.423 4.772 4.350 -0.002 0.000 0.263 237 E C -1.747 174.765 176.600 -0.146 0.000 0.879 237 E CA -0.558 55.699 56.400 -0.240 0.000 0.762 237 E CB 1.731 31.329 29.700 -0.170 0.000 1.166 237 E HN 0.578 nan 8.360 nan 0.000 0.415 238 Y N -1.270 118.940 120.300 -0.149 0.000 2.615 238 Y HA 0.599 5.148 4.550 -0.002 0.000 0.341 238 Y C -0.424 175.403 175.900 -0.123 0.000 1.089 238 Y CA -1.320 56.702 58.100 -0.131 0.000 1.049 238 Y CB 0.916 39.309 38.460 -0.111 0.000 1.296 238 Y HN 0.138 nan 8.280 nan 0.000 0.470 239 S N 1.736 117.438 115.700 0.002 0.000 2.565 239 S HA 0.486 4.955 4.470 -0.002 0.000 0.274 239 S C -1.444 173.029 174.600 -0.212 0.000 1.309 239 S CA -0.419 57.633 58.200 -0.246 0.000 1.043 239 S CB 0.339 63.238 63.200 -0.502 0.000 0.939 239 S HN 0.538 nan 8.310 nan 0.000 0.504 240 F N 2.395 122.093 119.950 -0.420 0.000 2.493 240 F HA 0.458 4.984 4.527 -0.002 0.000 0.329 240 F C -0.423 175.150 175.800 -0.378 0.000 1.126 240 F CA -0.820 57.012 58.000 -0.281 0.000 0.937 240 F CB 0.874 39.855 39.000 -0.031 0.000 1.146 240 F HN 0.651 nan 8.300 nan 0.000 0.442 241 Y N 2.681 122.712 120.300 -0.448 0.000 2.503 241 Y HA 0.216 4.765 4.550 -0.002 0.000 0.277 241 Y C 1.546 177.296 175.900 -0.250 0.000 1.102 241 Y CA 0.844 58.783 58.100 -0.269 0.000 1.261 241 Y CB -0.518 37.802 38.460 -0.232 0.000 1.096 241 Y HN 0.726 nan 8.280 nan 0.000 0.546 242 S N -0.081 115.392 115.700 -0.378 0.000 3.697 242 S HA -0.207 4.262 4.470 -0.002 0.000 0.638 242 S C -0.652 173.948 174.600 0.001 0.000 2.176 242 S CA -0.013 58.145 58.200 -0.069 0.000 2.349 242 S CB -1.030 62.281 63.200 0.184 0.000 0.329 242 S HN 0.487 nan 8.310 nan 0.000 1.794 243 D N 1.566 122.004 120.400 0.063 0.000 2.474 243 D HA 0.033 4.672 4.640 -0.002 0.000 0.232 243 D C 1.511 177.832 176.300 0.034 0.000 1.177 243 D CA 0.574 54.602 54.000 0.048 0.000 0.876 243 D CB 0.078 40.913 40.800 0.059 0.000 1.208 243 D HN 0.595 nan 8.370 nan 0.000 0.464 244 E N 0.445 120.656 120.200 0.020 0.000 2.136 244 E HA -0.268 4.081 4.350 -0.002 0.000 0.202 244 E C 1.851 178.460 176.600 0.015 0.000 1.019 244 E CA 1.888 58.293 56.400 0.008 0.000 0.819 244 E CB 0.025 29.727 29.700 0.004 0.000 0.739 244 E HN 0.522 nan 8.360 nan 0.000 0.458 245 S N 0.242 115.957 115.700 0.025 0.000 2.469 245 S HA -0.106 4.363 4.470 -0.002 0.000 0.238 245 S C 1.084 175.707 174.600 0.039 0.000 0.998 245 S CA 0.185 58.402 58.200 0.028 0.000 0.957 245 S CB -0.134 63.086 63.200 0.033 0.000 0.764 245 S HN 0.192 nan 8.310 nan 0.000 0.514 246 L N 2.379 123.633 121.223 0.051 0.000 2.407 246 L HA 0.161 4.500 4.340 -0.002 0.000 0.282 246 L C 1.595 178.500 176.870 0.059 0.000 1.110 246 L CA -0.014 54.870 54.840 0.073 0.000 0.863 246 L CB 0.883 42.998 42.059 0.094 0.000 1.207 246 L HN 0.443 nan 8.230 nan 0.000 0.454 247 Q N 4.236 124.078 119.800 0.069 0.000 2.050 247 Q HA -0.148 4.191 4.340 -0.002 0.000 0.202 247 Q C -0.572 175.362 176.000 -0.109 0.000 0.980 247 Q CA 1.701 57.498 55.803 -0.010 0.000 0.840 247 Q CB 0.140 28.914 28.738 0.060 0.000 0.898 247 Q HN 0.591 nan 8.270 nan 0.000 0.424 248 Y N 0.328 120.642 120.300 0.024 0.000 2.335 248 Y HA 0.383 4.932 4.550 -0.002 0.000 0.338 248 Y C -2.050 173.863 175.900 0.021 0.000 0.977 248 Y CA -3.004 55.108 58.100 0.020 0.000 1.114 248 Y CB 1.338 39.801 38.460 0.006 0.000 1.182 248 Y HN 0.150 nan 8.280 nan 0.000 0.463 249 P HA 0.038 nan 4.420 nan 0.000 0.266 249 P C -0.627 176.686 177.300 0.021 0.000 1.195 249 P CA -0.229 62.892 63.100 0.035 0.000 0.768 249 P CB 0.696 32.356 31.700 -0.067 0.000 0.838 250 K N 1.034 121.441 120.400 0.012 0.000 2.185 250 K HA 0.322 4.641 4.320 -0.002 0.000 0.271 250 K C -0.159 176.403 176.600 -0.062 0.000 1.013 250 K CA -0.152 56.140 56.287 0.007 0.000 0.943 250 K CB 0.520 33.058 32.500 0.063 0.000 0.998 250 K HN 0.360 nan 8.250 nan 0.000 0.468 251 T N 2.314 116.815 114.554 -0.089 0.000 2.770 251 T HA 0.209 4.558 4.350 -0.002 0.000 0.297 251 T C -0.463 174.112 174.700 -0.209 0.000 0.997 251 T CA -0.653 61.355 62.100 -0.154 0.000 0.949 251 T CB 0.714 69.504 68.868 -0.129 0.000 0.941 251 T HN 0.166 nan 8.240 nan 0.000 0.457 252 V N 5.343 125.043 119.914 -0.357 0.000 2.530 252 V HA 0.393 4.512 4.120 -0.002 0.000 0.282 252 V C 0.580 176.384 176.094 -0.484 0.000 1.048 252 V CA -0.416 61.621 62.300 -0.440 0.000 0.997 252 V CB 0.623 32.074 31.823 -0.620 0.000 0.987 252 V HN 0.689 nan 8.190 nan 0.000 0.477 253 R N 3.276 123.627 120.500 -0.249 0.000 2.409 253 R HA 0.713 5.052 4.340 -0.002 0.000 0.313 253 R C -1.617 174.654 176.300 -0.049 0.000 0.953 253 R CA -0.474 55.525 56.100 -0.168 0.000 0.849 253 R CB 2.130 32.367 30.300 -0.105 0.000 1.171 253 R HN 0.560 nan 8.270 nan 0.000 0.458 254 V N 4.841 124.726 119.914 -0.049 0.000 2.577 254 V HA 0.337 4.456 4.120 -0.002 0.000 0.303 254 V C -2.358 173.775 176.094 0.065 0.000 1.042 254 V CA -2.377 59.965 62.300 0.071 0.000 0.872 254 V CB 2.167 34.006 31.823 0.026 0.000 0.998 254 V HN 0.635 nan 8.190 nan 0.000 0.423 255 P HA 0.166 nan 4.420 nan 0.000 0.265 255 P C -1.308 176.103 177.300 0.185 0.000 1.222 255 P CA 0.282 63.488 63.100 0.176 0.000 0.767 255 P CB -0.173 31.676 31.700 0.249 0.000 0.801 256 Y N 6.260 126.542 120.300 -0.031 0.000 2.287 256 Y HA 0.373 4.922 4.550 -0.002 0.000 0.325 256 Y C -2.832 173.050 175.900 -0.030 0.000 1.139 256 Y CA -3.020 55.021 58.100 -0.098 0.000 1.167 256 Y CB 1.605 39.877 38.460 -0.312 0.000 1.158 256 Y HN 0.267 nan 8.280 nan 0.000 0.434 257 P HA 0.266 nan 4.420 nan 0.000 0.286 257 P C -0.751 176.603 177.300 0.090 0.000 1.321 257 P CA -0.104 63.045 63.100 0.081 0.000 0.790 257 P CB 1.003 32.727 31.700 0.040 0.000 0.897 258 K N 1.845 122.380 120.400 0.226 0.000 2.155 258 K HA 0.538 4.857 4.320 -0.002 0.000 0.237 258 K C 0.480 177.177 176.600 0.162 0.000 1.040 258 K CA -0.820 55.621 56.287 0.255 0.000 0.912 258 K CB 0.533 33.202 32.500 0.281 0.000 1.137 258 K HN 0.392 nan 8.250 nan 0.000 0.498 259 A N 0.469 123.407 122.820 0.196 0.000 2.545 259 A HA 0.340 4.659 4.320 -0.002 0.000 0.253 259 A C 1.088 178.696 177.584 0.040 0.000 1.074 259 A CA 0.897 53.035 52.037 0.167 0.000 0.760 259 A CB -1.160 18.026 19.000 0.310 0.000 1.005 259 A HN 0.880 nan 8.150 nan 0.000 0.506 260 G N 0.816 109.635 108.800 0.032 0.000 2.175 260 G HA2 0.154 4.113 3.960 -0.002 0.000 0.244 260 G HA3 0.154 4.113 3.960 -0.002 0.000 0.244 260 G C 0.568 175.475 174.900 0.012 0.000 0.982 260 G CA 0.515 45.608 45.100 -0.012 0.000 0.641 260 G HN 2.043 nan 8.290 nan 0.000 0.527 261 A N -0.527 122.318 122.820 0.041 0.000 2.274 261 A HA 0.809 5.128 4.320 -0.002 0.000 0.297 261 A C 0.643 178.255 177.584 0.046 0.000 1.191 261 A CA 0.169 52.234 52.037 0.047 0.000 0.889 261 A CB 0.873 19.916 19.000 0.071 0.000 1.294 261 A HN 1.094 nan 8.150 nan 0.000 0.506 262 V N 2.163 122.106 119.914 0.049 0.000 2.415 262 V HA 0.038 4.157 4.120 -0.002 0.000 0.267 262 V C 0.491 176.625 176.094 0.066 0.000 1.042 262 V CA 0.100 62.429 62.300 0.048 0.000 1.000 262 V CB -0.598 31.255 31.823 0.049 0.000 1.015 262 V HN 0.833 nan 8.190 nan 0.000 0.478 263 N N 6.599 125.334 118.700 0.059 0.000 2.424 263 N HA 0.312 5.051 4.740 -0.002 0.000 0.257 263 N C -2.305 173.277 175.510 0.121 0.000 1.250 263 N CA -1.100 52.003 53.050 0.088 0.000 0.946 263 N CB 0.693 39.222 38.487 0.071 0.000 1.175 263 N HN 0.448 nan 8.380 nan 0.000 0.477 264 P HA 0.025 nan 4.420 nan 0.000 0.271 264 P C -0.722 176.728 177.300 0.250 0.000 1.244 264 P CA -0.092 63.164 63.100 0.260 0.000 0.793 264 P CB 0.425 32.346 31.700 0.369 0.000 0.984 265 T N -2.717 111.984 114.554 0.245 0.000 2.950 265 T HA 0.589 4.938 4.350 -0.002 0.000 0.288 265 T C -0.456 174.389 174.700 0.241 0.000 1.035 265 T CA -0.895 61.309 62.100 0.174 0.000 1.028 265 T CB 1.515 70.444 68.868 0.101 0.000 1.109 265 T HN 0.309 nan 8.240 nan 0.000 0.514 266 V N 0.687 120.710 119.914 0.182 0.000 2.709 266 V HA 0.727 4.846 4.120 -0.002 0.000 0.308 266 V C -1.339 174.864 176.094 0.182 0.000 1.062 266 V CA -0.774 61.606 62.300 0.133 0.000 0.901 266 V CB 1.912 33.849 31.823 0.191 0.000 1.003 266 V HN 0.994 nan 8.190 nan 0.000 0.425 267 K N 4.782 125.251 120.400 0.115 0.000 2.426 267 K HA 0.576 4.895 4.320 -0.002 0.000 0.251 267 K C -1.835 174.873 176.600 0.180 0.000 0.941 267 K CA -0.482 55.903 56.287 0.165 0.000 0.808 267 K CB 2.657 35.285 32.500 0.213 0.000 1.265 267 K HN 0.555 nan 8.250 nan 0.000 0.432 268 F N 2.404 122.289 119.950 -0.108 0.000 2.495 268 F HA 0.586 5.112 4.527 -0.002 0.000 0.327 268 F C -1.329 174.191 175.800 -0.467 0.000 1.103 268 F CA -0.673 57.215 58.000 -0.186 0.000 0.949 268 F CB 0.826 39.739 39.000 -0.146 0.000 1.142 268 F HN 0.373 nan 8.300 nan 0.000 0.457 269 F N 3.363 122.628 119.950 -1.141 0.000 2.613 269 F HA 0.754 5.280 4.527 -0.002 0.000 0.314 269 F C -1.012 174.158 175.800 -1.051 0.000 1.075 269 F CA -1.100 56.310 58.000 -0.984 0.000 0.945 269 F CB 2.179 40.409 39.000 -1.284 0.000 1.310 269 F HN 0.114 nan 8.300 nan 0.000 0.467 270 V N 2.550 122.215 119.914 -0.414 0.000 2.623 270 V HA 0.591 4.710 4.120 -0.002 0.000 0.304 270 V C -1.088 175.030 176.094 0.040 0.000 1.054 270 V CA -0.803 61.312 62.300 -0.308 0.000 0.882 270 V CB 1.949 33.373 31.823 -0.665 0.000 1.002 270 V HN 0.510 nan 8.190 nan 0.000 0.424 271 V N 3.420 123.431 119.914 0.161 0.000 2.495 271 V HA 0.458 4.577 4.120 -0.002 0.000 0.298 271 V C -0.008 176.303 176.094 0.362 0.000 1.031 271 V CA -0.795 61.651 62.300 0.244 0.000 0.871 271 V CB 2.089 34.024 31.823 0.186 0.000 0.988 271 V HN 0.866 nan 8.190 nan 0.000 0.432 272 N N 2.872 121.801 118.700 0.381 0.000 2.402 272 N HA 0.117 4.856 4.740 -0.002 0.000 0.252 272 N C 1.003 176.614 175.510 0.168 0.000 1.118 272 N CA 0.294 53.568 53.050 0.373 0.000 0.945 272 N CB 1.472 40.172 38.487 0.355 0.000 1.147 272 N HN 0.689 nan 8.380 nan 0.000 0.495 273 T N 1.851 116.491 114.554 0.144 0.000 2.867 273 T HA -0.077 4.272 4.350 -0.002 0.000 0.268 273 T C 0.633 175.372 174.700 0.065 0.000 1.057 273 T CA 1.018 63.194 62.100 0.126 0.000 1.136 273 T CB 0.056 69.083 68.868 0.265 0.000 0.874 273 T HN 0.500 nan 8.240 nan 0.000 0.466 274 D N 1.224 121.639 120.400 0.024 0.000 2.269 274 D HA -0.007 4.632 4.640 -0.002 0.000 0.208 274 D C 1.843 178.141 176.300 -0.003 0.000 0.963 274 D CA 0.737 54.739 54.000 0.004 0.000 0.864 274 D CB -0.103 40.674 40.800 -0.038 0.000 0.936 274 D HN 0.495 nan 8.370 nan 0.000 0.505 275 S N -0.331 115.369 115.700 -0.000 0.000 2.574 275 S HA 0.227 4.696 4.470 -0.002 0.000 0.242 275 S C 0.567 175.130 174.600 -0.063 0.000 0.982 275 S CA -0.535 57.663 58.200 -0.003 0.000 0.977 275 S CB -0.278 62.950 63.200 0.048 0.000 0.814 275 S HN 0.009 nan 8.310 nan 0.000 0.464 276 L N 2.145 123.268 121.223 -0.168 0.000 2.380 276 L HA 0.478 4.817 4.340 -0.002 0.000 0.273 276 L C 0.485 177.114 176.870 -0.402 0.000 1.138 276 L CA -0.269 54.347 54.840 -0.373 0.000 0.832 276 L CB 1.348 42.967 42.059 -0.732 0.000 1.124 276 L HN 0.261 nan 8.230 nan 0.000 0.454 277 S N 0.104 115.639 115.700 -0.275 0.000 2.482 277 S HA 0.291 4.760 4.470 -0.002 0.000 0.303 277 S C 0.737 175.373 174.600 0.061 0.000 1.091 277 S CA -0.672 57.476 58.200 -0.087 0.000 1.057 277 S CB 1.528 64.723 63.200 -0.009 0.000 1.031 277 S HN 0.654 nan 8.310 nan 0.000 0.485 278 S N 3.489 119.327 115.700 0.231 0.000 2.603 278 S HA 0.060 4.529 4.470 -0.002 0.000 0.220 278 S C 1.232 175.940 174.600 0.179 0.000 0.967 278 S CA 0.034 58.429 58.200 0.325 0.000 0.920 278 S CB 0.074 63.466 63.200 0.320 0.000 0.773 278 S HN 0.485 nan 8.310 nan 0.000 0.529 279 V N 1.703 121.691 119.914 0.123 0.000 2.490 279 V HA 0.046 4.164 4.120 -0.002 0.000 0.238 279 V C 1.367 177.509 176.094 0.080 0.000 1.056 279 V CA 1.421 63.774 62.300 0.088 0.000 1.075 279 V CB -0.216 31.645 31.823 0.063 0.000 0.746 279 V HN 0.511 nan 8.190 nan 0.000 0.479 280 T N 0.269 114.863 114.554 0.067 0.000 2.810 280 T HA 0.275 4.623 4.350 -0.002 0.000 0.277 280 T C -0.182 174.564 174.700 0.077 0.000 0.973 280 T CA -0.402 61.729 62.100 0.053 0.000 0.949 280 T CB 0.549 69.438 68.868 0.035 0.000 1.075 280 T HN 0.167 nan 8.240 nan 0.000 0.537 281 N N 0.028 118.766 118.700 0.064 0.000 2.482 281 N HA 0.577 5.316 4.740 -0.002 0.000 0.279 281 N C -0.610 174.954 175.510 0.089 0.000 1.182 281 N CA -0.606 52.506 53.050 0.103 0.000 0.969 281 N CB 0.871 39.392 38.487 0.056 0.000 1.201 281 N HN 0.796 nan 8.380 nan 0.000 0.523 282 A N 0.384 123.275 122.820 0.118 0.000 2.404 282 A HA 0.308 4.627 4.320 -0.002 0.000 0.273 282 A C -0.242 177.404 177.584 0.104 0.000 1.144 282 A CA -0.229 51.857 52.037 0.082 0.000 0.806 282 A CB -0.506 18.529 19.000 0.058 0.000 1.080 282 A HN 0.549 nan 8.150 nan 0.000 0.509 283 T N 3.105 117.722 114.554 0.105 0.000 2.739 283 T HA 0.338 4.687 4.350 -0.002 0.000 0.298 283 T C 0.378 175.183 174.700 0.174 0.000 0.929 283 T CA -0.087 62.091 62.100 0.131 0.000 1.014 283 T CB 0.155 69.094 68.868 0.119 0.000 0.914 283 T HN 0.544 nan 8.240 nan 0.000 0.509 284 S N 3.889 119.716 115.700 0.212 0.000 2.537 284 S HA 0.454 4.923 4.470 -0.002 0.000 0.275 284 S C 0.200 174.970 174.600 0.283 0.000 1.272 284 S CA -0.902 57.473 58.200 0.291 0.000 1.050 284 S CB 0.508 63.941 63.200 0.389 0.000 0.961 284 S HN 0.501 nan 8.310 nan 0.000 0.496 285 I N 2.654 123.350 120.570 0.210 0.000 2.378 285 I HA 0.332 4.501 4.170 -0.002 0.000 0.291 285 I C 0.246 176.321 176.117 -0.070 0.000 0.992 285 I CA -0.467 60.912 61.300 0.131 0.000 1.154 285 I CB 1.358 39.516 38.000 0.262 0.000 1.315 285 I HN 0.681 nan 8.210 nan 0.000 0.448 286 Q N 5.858 125.537 119.800 -0.201 0.000 2.267 286 Q HA 0.523 4.862 4.340 -0.002 0.000 0.255 286 Q C -1.190 174.673 176.000 -0.229 0.000 0.923 286 Q CA -0.426 55.094 55.803 -0.473 0.000 0.925 286 Q CB 1.332 29.703 28.738 -0.611 0.000 1.195 286 Q HN 0.572 nan 8.270 nan 0.000 0.417 287 I N 4.072 124.529 120.570 -0.189 0.000 2.312 287 I HA 0.226 4.395 4.170 -0.002 0.000 0.290 287 I C 0.273 176.371 176.117 -0.033 0.000 1.008 287 I CA -0.500 60.772 61.300 -0.047 0.000 1.226 287 I CB 1.566 39.581 38.000 0.025 0.000 1.371 287 I HN 0.681 nan 8.210 nan 0.000 0.468 288 T N 3.102 117.603 114.554 -0.089 0.000 2.918 288 T HA 0.738 5.086 4.350 -0.002 0.000 0.283 288 T C 0.343 174.861 174.700 -0.302 0.000 1.001 288 T CA -0.892 61.110 62.100 -0.163 0.000 1.041 288 T CB 1.611 70.373 68.868 -0.176 0.000 1.028 288 T HN 0.589 nan 8.240 nan 0.000 0.511 289 A N 2.493 124.912 122.820 -0.668 0.000 2.448 289 A HA 0.504 4.823 4.320 -0.002 0.000 0.239 289 A C -2.186 174.959 177.584 -0.732 0.000 1.080 289 A CA -1.186 50.080 52.037 -1.285 0.000 0.779 289 A CB -1.120 16.766 19.000 -1.856 0.000 1.026 289 A HN 0.737 nan 8.150 nan 0.000 0.499 290 P HA 0.179 nan 4.420 nan 0.000 0.269 290 P C 0.769 177.867 177.300 -0.336 0.000 1.209 290 P CA 0.701 63.580 63.100 -0.368 0.000 0.776 290 P CB 0.649 32.188 31.700 -0.268 0.000 0.876 291 A N 2.749 125.438 122.820 -0.218 0.000 1.997 291 A HA -0.228 4.091 4.320 -0.002 0.000 0.221 291 A C 2.023 179.509 177.584 -0.163 0.000 1.172 291 A CA 2.430 54.361 52.037 -0.175 0.000 0.645 291 A CB -1.676 17.252 19.000 -0.120 0.000 0.813 291 A HN 0.623 nan 8.150 nan 0.000 0.454 292 S N -1.838 113.783 115.700 -0.133 0.000 2.555 292 S HA 0.018 4.487 4.470 -0.002 0.000 0.230 292 S C 1.652 176.181 174.600 -0.117 0.000 0.978 292 S CA 1.185 59.330 58.200 -0.091 0.000 0.934 292 S CB -0.182 63.032 63.200 0.024 0.000 0.766 292 S HN 0.387 nan 8.310 nan 0.000 0.533 293 M N 0.553 120.014 119.600 -0.232 0.000 2.557 293 M HA 0.333 4.812 4.480 -0.002 0.000 0.262 293 M C 1.451 177.531 176.300 -0.367 0.000 1.168 293 M CA 0.558 55.654 55.300 -0.341 0.000 1.194 293 M CB -1.262 30.947 32.600 -0.651 0.000 1.311 293 M HN 0.291 nan 8.290 nan 0.000 0.489 294 L N 0.761 121.747 121.223 -0.394 0.000 2.551 294 L HA -0.117 4.222 4.340 -0.002 0.000 0.230 294 L C 2.192 179.000 176.870 -0.103 0.000 1.163 294 L CA 1.171 55.861 54.840 -0.250 0.000 0.826 294 L CB -1.546 40.374 42.059 -0.231 0.000 0.943 294 L HN 0.234 nan 8.230 nan 0.000 0.452 295 I N -1.129 119.376 120.570 -0.108 0.000 2.091 295 I HA -0.219 3.950 4.170 -0.002 0.000 0.239 295 I C 1.587 177.682 176.117 -0.036 0.000 1.061 295 I CA 1.614 62.870 61.300 -0.073 0.000 1.317 295 I CB -0.202 37.742 38.000 -0.093 0.000 1.031 295 I HN 0.389 nan 8.210 nan 0.000 0.401 296 G N -1.624 107.169 108.800 -0.012 0.000 3.183 296 G HA2 0.258 4.217 3.960 -0.002 0.000 0.247 296 G HA3 0.258 4.217 3.960 -0.002 0.000 0.247 296 G C -1.455 173.476 174.900 0.051 0.000 1.211 296 G CA -0.420 44.683 45.100 0.006 0.000 0.835 296 G HN -0.048 nan 8.290 nan 0.000 0.604 297 D N 0.767 121.157 120.400 -0.018 0.000 2.455 297 D HA 0.464 5.103 4.640 -0.002 0.000 0.241 297 D C 0.178 176.403 176.300 -0.124 0.000 1.138 297 D CA 0.871 54.803 54.000 -0.113 0.000 0.877 297 D CB 0.745 41.454 40.800 -0.151 0.000 1.187 297 D HN 0.603 nan 8.370 nan 0.000 0.451 298 H N -1.459 117.459 119.070 -0.253 0.000 2.990 298 H HA 0.587 5.142 4.556 -0.002 0.000 0.336 298 H C -1.602 173.569 175.328 -0.263 0.000 1.306 298 H CA -1.007 54.893 56.048 -0.247 0.000 1.118 298 H CB 0.424 30.171 29.762 -0.025 0.000 1.856 298 H HN 0.261 nan 8.280 nan 0.000 0.538 299 Y N 0.132 120.673 120.300 0.401 0.000 2.485 299 Y HA 0.305 4.854 4.550 -0.002 0.000 0.345 299 Y C -0.279 175.937 175.900 0.527 0.000 0.998 299 Y CA -1.350 57.002 58.100 0.419 0.000 1.059 299 Y CB 1.960 40.505 38.460 0.143 0.000 1.234 299 Y HN 0.565 nan 8.280 nan 0.000 0.461 300 L N 3.150 124.748 121.223 0.626 0.000 2.363 300 L HA 0.110 4.449 4.340 -0.002 0.000 0.286 300 L C 0.505 177.390 176.870 0.024 0.000 1.106 300 L CA 0.111 54.941 54.840 -0.016 0.000 0.859 300 L CB 0.284 42.271 42.059 -0.121 0.000 1.223 300 L HN 1.034 nan 8.230 nan 0.000 0.446 301 C N 3.898 123.095 119.300 -0.171 0.000 2.486 301 C HA 0.091 4.549 4.460 -0.002 0.000 0.279 301 C C 0.869 175.700 174.990 -0.265 0.000 1.302 301 C CA 0.319 59.211 59.018 -0.209 0.000 1.720 301 C CB -0.273 27.384 27.740 -0.138 0.000 2.030 301 C HN 0.867 nan 8.230 nan 0.000 0.490 302 D N -1.344 118.899 120.400 -0.261 0.000 2.717 302 D HA 0.386 5.025 4.640 -0.002 0.000 0.223 302 D C -1.837 174.203 176.300 -0.434 0.000 1.240 302 D CA -0.002 53.883 54.000 -0.193 0.000 0.801 302 D CB 2.299 42.970 40.800 -0.214 0.000 1.556 302 D HN 0.023 nan 8.370 nan 0.000 0.462 303 V N 2.315 121.931 119.914 -0.496 0.000 2.462 303 V HA 0.422 4.541 4.120 -0.002 0.000 0.288 303 V C -0.594 175.137 176.094 -0.605 0.000 1.020 303 V CA -0.432 61.338 62.300 -0.883 0.000 0.857 303 V CB 1.767 32.520 31.823 -1.784 0.000 1.013 303 V HN 0.607 nan 8.190 nan 0.000 0.431 304 T N 3.489 117.790 114.554 -0.422 0.000 2.890 304 T HA 0.388 4.737 4.350 -0.002 0.000 0.295 304 T C -0.597 174.063 174.700 -0.066 0.000 0.993 304 T CA -0.450 61.575 62.100 -0.126 0.000 0.979 304 T CB 0.799 69.635 68.868 -0.054 0.000 0.967 304 T HN 0.505 nan 8.240 nan 0.000 0.441 305 W N 1.807 123.130 121.300 0.037 0.000 2.137 305 W HA 0.457 5.116 4.660 -0.002 0.000 0.344 305 W C 1.166 177.674 176.519 -0.018 0.000 1.286 305 W CA -0.145 57.221 57.345 0.035 0.000 1.240 305 W CB 0.539 30.076 29.460 0.128 0.000 1.141 305 W HN 0.815 nan 8.180 nan 0.000 0.579 306 A N 1.114 123.959 122.820 0.042 0.000 2.010 306 A HA 0.227 4.546 4.320 -0.002 0.000 0.210 306 A C 0.813 178.393 177.584 -0.006 0.000 1.479 306 A CA 1.312 53.092 52.037 -0.429 0.000 0.748 306 A CB -0.543 17.770 19.000 -1.145 0.000 1.125 306 A HN 0.519 nan 8.150 nan 0.000 0.522 307 T N -4.155 110.481 114.554 0.136 0.000 2.773 307 T HA 0.352 4.701 4.350 -0.002 0.000 0.278 307 T C 0.293 175.156 174.700 0.272 0.000 1.011 307 T CA -0.189 62.019 62.100 0.180 0.000 1.014 307 T CB 0.811 69.764 68.868 0.141 0.000 1.293 307 T HN 0.148 nan 8.240 nan 0.000 0.554 308 Q N 0.214 120.127 119.800 0.188 0.000 2.439 308 Q HA -0.017 4.322 4.340 -0.002 0.000 0.211 308 Q C 0.589 176.815 176.000 0.377 0.000 0.978 308 Q CA 1.260 57.156 55.803 0.154 0.000 0.897 308 Q CB -0.075 28.701 28.738 0.065 0.000 0.956 308 Q HN 0.828 nan 8.270 nan 0.000 0.483 309 E N -0.130 120.352 120.200 0.470 0.000 2.862 309 E HA 0.220 4.569 4.350 -0.002 0.000 0.204 309 E C -0.286 176.659 176.600 0.575 0.000 0.966 309 E CA -0.158 56.579 56.400 0.561 0.000 1.257 309 E CB 1.149 31.060 29.700 0.351 0.000 1.053 309 E HN 0.008 nan 8.360 nan 0.000 0.487 310 R N 1.721 122.576 120.500 0.592 0.000 2.621 310 R HA 0.542 4.881 4.340 -0.002 0.000 0.284 310 R C -1.325 175.116 176.300 0.235 0.000 0.998 310 R CA -0.441 55.882 56.100 0.372 0.000 0.895 310 R CB 1.276 31.648 30.300 0.119 0.000 1.195 310 R HN -0.014 nan 8.270 nan 0.000 0.450 311 I N 0.773 121.303 120.570 -0.068 0.000 2.608 311 I HA 0.379 4.548 4.170 -0.002 0.000 0.295 311 I C -0.334 175.567 176.117 -0.359 0.000 1.049 311 I CA -0.991 60.024 61.300 -0.475 0.000 1.063 311 I CB 2.128 39.521 38.000 -1.011 0.000 1.248 311 I HN 0.397 nan 8.210 nan 0.000 0.424 312 S N 6.163 121.648 115.700 -0.358 0.000 2.451 312 S HA 0.767 5.236 4.470 -0.002 0.000 0.301 312 S C -0.843 173.485 174.600 -0.454 0.000 1.116 312 S CA -0.543 57.500 58.200 -0.261 0.000 1.093 312 S CB 0.663 63.849 63.200 -0.023 0.000 1.017 312 S HN 0.525 nan 8.310 nan 0.000 0.482 313 L N 3.888 124.834 121.223 -0.461 0.000 2.386 313 L HA 0.555 4.894 4.340 -0.002 0.000 0.271 313 L C -0.196 176.362 176.870 -0.520 0.000 0.993 313 L CA -0.778 53.661 54.840 -0.668 0.000 0.819 313 L CB 2.068 43.615 42.059 -0.854 0.000 1.294 313 L HN 0.597 nan 8.230 nan 0.000 0.414 314 Q N 1.082 120.544 119.800 -0.564 0.000 2.235 314 Q HA 0.515 4.854 4.340 -0.002 0.000 0.256 314 Q C -1.775 173.919 176.000 -0.509 0.000 0.951 314 Q CA -0.312 55.260 55.803 -0.384 0.000 0.890 314 Q CB 2.226 30.809 28.738 -0.259 0.000 1.279 314 Q HN 0.411 nan 8.270 nan 0.000 0.444 315 W N 2.265 123.516 121.300 -0.082 0.000 2.936 315 W HA 0.612 5.271 4.660 -0.002 0.000 0.338 315 W C -1.196 175.351 176.519 0.047 0.000 1.121 315 W CA -0.493 56.852 57.345 -0.000 0.000 1.209 315 W CB 1.268 30.702 29.460 -0.043 0.000 1.420 315 W HN 0.315 nan 8.180 nan 0.000 0.516 316 L N 3.034 124.492 121.223 0.391 0.000 2.386 316 L HA 0.564 4.903 4.340 -0.002 0.000 0.271 316 L C 0.260 177.343 176.870 0.355 0.000 0.993 316 L CA -1.131 53.905 54.840 0.327 0.000 0.819 316 L CB 1.673 43.917 42.059 0.308 0.000 1.294 316 L HN 0.468 nan 8.230 nan 0.000 0.414 317 R N 1.344 122.013 120.500 0.282 0.000 2.679 317 R HA 0.113 4.452 4.340 -0.002 0.000 0.269 317 R C 0.931 177.322 176.300 0.153 0.000 1.076 317 R CA -0.070 56.145 56.100 0.192 0.000 1.160 317 R CB 0.972 31.378 30.300 0.178 0.000 1.054 317 R HN 0.557 nan 8.270 nan 0.000 0.507 318 R N 1.581 122.091 120.500 0.017 0.000 2.092 318 R HA -0.039 4.300 4.340 -0.002 0.000 0.231 318 R C 0.191 176.559 176.300 0.113 0.000 1.119 318 R CA 1.263 57.366 56.100 0.004 0.000 0.970 318 R CB -0.061 30.179 30.300 -0.101 0.000 0.864 318 R HN 0.464 nan 8.270 nan 0.000 0.440 319 I N 2.414 123.031 120.570 0.078 0.000 2.389 319 I HA 0.001 4.170 4.170 -0.002 0.000 0.295 319 I C 0.413 176.599 176.117 0.114 0.000 1.117 319 I CA 0.436 61.783 61.300 0.079 0.000 1.317 319 I CB 1.316 39.346 38.000 0.051 0.000 1.431 319 I HN 0.210 nan 8.210 nan 0.000 0.521 320 Q N 4.506 124.372 119.800 0.110 0.000 2.283 320 Q HA -0.018 4.321 4.340 -0.002 0.000 0.223 320 Q C 0.537 176.625 176.000 0.146 0.000 0.918 320 Q CA 0.002 55.885 55.803 0.134 0.000 0.952 320 Q CB -0.333 28.442 28.738 0.063 0.000 1.030 320 Q HN 0.689 nan 8.270 nan 0.000 0.452 321 N N -0.825 117.960 118.700 0.142 0.000 2.238 321 N HA -0.044 4.695 4.740 -0.002 0.000 0.222 321 N C -1.074 174.544 175.510 0.181 0.000 1.133 321 N CA -0.172 52.953 53.050 0.125 0.000 0.854 321 N CB 0.242 38.777 38.487 0.080 0.000 1.041 321 N HN 0.145 nan 8.380 nan 0.000 0.510 322 Y N 0.814 121.145 120.300 0.050 0.000 2.298 322 Y HA 0.479 5.028 4.550 -0.002 0.000 0.322 322 Y C -1.203 174.735 175.900 0.063 0.000 1.138 322 Y CA -1.001 57.126 58.100 0.045 0.000 1.127 322 Y CB 1.065 39.543 38.460 0.031 0.000 1.178 322 Y HN 0.169 nan 8.280 nan 0.000 0.428 323 S N 4.090 119.673 115.700 -0.196 0.000 2.634 323 S HA 0.948 5.417 4.470 -0.002 0.000 0.296 323 S C -1.908 172.562 174.600 -0.216 0.000 1.104 323 S CA -0.734 57.414 58.200 -0.087 0.000 0.920 323 S CB 2.143 65.332 63.200 -0.019 0.000 1.111 323 S HN 0.486 nan 8.310 nan 0.000 0.493 324 V N 2.257 122.146 119.914 -0.041 0.000 2.668 324 V HA 0.459 4.578 4.120 -0.002 0.000 0.304 324 V C -0.743 175.375 176.094 0.040 0.000 1.071 324 V CA -0.546 61.739 62.300 -0.025 0.000 0.894 324 V CB 1.866 33.705 31.823 0.026 0.000 1.008 324 V HN 1.034 nan 8.190 nan 0.000 0.425 325 M N 3.747 123.346 119.600 -0.003 0.000 2.157 325 M HA 0.516 4.995 4.480 -0.002 0.000 0.354 325 M C -1.111 175.209 176.300 0.033 0.000 1.170 325 M CA -0.143 55.139 55.300 -0.029 0.000 1.060 325 M CB 0.934 33.473 32.600 -0.102 0.000 1.615 325 M HN 0.682 nan 8.290 nan 0.000 0.460 326 D N 4.427 124.836 120.400 0.015 0.000 2.256 326 D HA 0.571 5.210 4.640 -0.002 0.000 0.246 326 D C -1.391 174.900 176.300 -0.016 0.000 1.042 326 D CA -0.102 53.915 54.000 0.027 0.000 0.841 326 D CB 1.454 42.304 40.800 0.084 0.000 1.223 326 D HN 0.480 nan 8.370 nan 0.000 0.470 327 I N 2.525 123.110 120.570 0.025 0.000 2.436 327 I HA 0.399 4.568 4.170 -0.002 0.000 0.289 327 I C -0.891 175.248 176.117 0.036 0.000 1.010 327 I CA -0.385 60.932 61.300 0.028 0.000 1.098 327 I CB 1.554 39.621 38.000 0.113 0.000 1.266 327 I HN 0.350 nan 8.210 nan 0.000 0.434 328 c N 4.128 122.752 118.600 0.039 0.000 2.397 328 c HA 0.469 5.038 4.570 -0.002 0.000 0.325 328 c C -0.789 173.478 174.090 0.295 0.000 1.201 328 c CA -1.039 55.372 56.329 0.136 0.000 1.377 328 c CB 0.993 43.563 42.510 0.099 0.000 2.038 328 c HN 0.625 nan 8.230 nan 0.000 0.457 329 D N 1.133 121.683 120.400 0.250 0.000 2.163 329 D HA 0.200 4.838 4.640 -0.002 0.000 0.248 329 D C -0.628 175.667 176.300 -0.010 0.000 1.035 329 D CA -0.209 53.906 54.000 0.193 0.000 0.872 329 D CB 1.737 42.585 40.800 0.080 0.000 1.183 329 D HN 0.600 nan 8.370 nan 0.000 0.445 330 Y N 1.647 121.617 120.300 -0.550 0.000 2.511 330 Y HA 0.006 4.554 4.550 -0.002 0.000 0.332 330 Y C 0.213 175.834 175.900 -0.465 0.000 1.177 330 Y CA 0.140 57.579 58.100 -1.101 0.000 1.422 330 Y CB 0.611 38.447 38.460 -1.039 0.000 1.271 330 Y HN 0.179 nan 8.280 nan 0.000 0.550 331 D N 5.724 125.514 120.400 -1.017 0.000 2.485 331 D HA 0.067 4.705 4.640 -0.002 0.000 0.229 331 D C 0.917 176.665 176.300 -0.922 0.000 1.101 331 D CA -0.082 53.507 54.000 -0.686 0.000 0.906 331 D CB 0.561 41.108 40.800 -0.422 0.000 1.019 331 D HN 0.917 nan 8.370 nan 0.000 0.516 332 E N 1.952 121.732 120.200 -0.700 0.000 2.196 332 E HA -0.346 4.003 4.350 -0.002 0.000 0.222 332 E C 1.504 177.926 176.600 -0.297 0.000 1.072 332 E CA 2.766 58.910 56.400 -0.427 0.000 0.902 332 E CB 0.199 29.828 29.700 -0.119 0.000 0.780 332 E HN 0.449 nan 8.360 nan 0.000 0.467 333 S N -1.018 114.546 115.700 -0.226 0.000 2.427 333 S HA -0.062 4.406 4.470 -0.002 0.000 0.224 333 S C 2.144 176.674 174.600 -0.117 0.000 1.047 333 S CA 0.954 59.080 58.200 -0.122 0.000 0.953 333 S CB -0.198 62.952 63.200 -0.082 0.000 0.824 333 S HN 0.367 nan 8.310 nan 0.000 0.502 334 S N 0.930 116.534 115.700 -0.161 0.000 2.395 334 S HA 0.346 4.815 4.470 -0.002 0.000 0.225 334 S C 1.839 176.379 174.600 -0.100 0.000 1.027 334 S CA 1.349 59.480 58.200 -0.115 0.000 0.965 334 S CB -0.819 62.314 63.200 -0.112 0.000 0.812 334 S HN 1.654 nan 8.310 nan 0.000 0.482 335 G N 1.198 109.883 108.800 -0.191 0.000 2.218 335 G HA2 -0.179 3.780 3.960 -0.002 0.000 0.216 335 G HA3 -0.179 3.780 3.960 -0.002 0.000 0.216 335 G C 0.336 175.225 174.900 -0.019 0.000 0.994 335 G CA -0.010 45.056 45.100 -0.056 0.000 0.637 335 G HN 0.646 nan 8.290 nan 0.000 0.505 336 R N -1.048 119.386 120.500 -0.111 0.000 2.519 336 R HA 0.652 4.991 4.340 -0.002 0.000 0.244 336 R C -0.478 175.740 176.300 -0.136 0.000 1.241 336 R CA -0.228 55.871 56.100 -0.002 0.000 1.120 336 R CB 0.400 30.703 30.300 0.005 0.000 1.333 336 R HN 0.195 nan 8.270 nan 0.000 0.587 337 W N -0.648 120.645 121.300 -0.012 0.000 2.915 337 W HA 0.401 5.060 4.660 -0.002 0.000 0.337 337 W C -0.470 176.030 176.519 -0.031 0.000 1.102 337 W CA -0.507 56.833 57.345 -0.008 0.000 1.224 337 W CB 1.579 31.029 29.460 -0.016 0.000 1.416 337 W HN 0.270 nan 8.180 nan 0.000 0.503 338 N N 1.785 120.592 118.700 0.178 0.000 2.352 338 N HA 0.419 5.158 4.740 -0.002 0.000 0.291 338 N C -1.746 173.811 175.510 0.079 0.000 1.040 338 N CA -0.421 52.679 53.050 0.083 0.000 0.864 338 N CB 1.973 40.469 38.487 0.016 0.000 1.440 338 N HN 0.296 nan 8.380 nan 0.000 0.483 339 c N 3.391 122.018 118.600 0.046 0.000 2.242 339 c HA 0.354 4.923 4.570 -0.002 0.000 0.317 339 c C 0.245 174.338 174.090 0.005 0.000 1.087 339 c CA -1.012 55.335 56.329 0.029 0.000 1.535 339 c CB -1.105 41.414 42.510 0.014 0.000 1.893 339 c HN 0.463 nan 8.230 nan 0.000 0.426 340 L N 3.263 124.491 121.223 0.008 0.000 2.462 340 L HA 0.058 4.397 4.340 -0.002 0.000 0.272 340 L C 1.404 178.262 176.870 -0.021 0.000 1.166 340 L CA 0.469 55.304 54.840 -0.007 0.000 0.880 340 L CB 0.432 42.489 42.059 -0.003 0.000 1.142 340 L HN 0.581 nan 8.230 nan 0.000 0.473 341 V N 3.330 123.224 119.914 -0.033 0.000 3.026 341 V HA -0.209 3.910 4.120 -0.002 0.000 0.265 341 V C 2.186 178.243 176.094 -0.061 0.000 1.121 341 V CA 1.265 63.538 62.300 -0.046 0.000 1.142 341 V CB -1.143 30.654 31.823 -0.044 0.000 0.730 341 V HN 0.935 nan 8.190 nan 0.000 0.503 342 A N 2.061 124.850 122.820 -0.052 0.000 1.873 342 A HA -0.157 4.162 4.320 -0.002 0.000 0.215 342 A C 2.351 179.874 177.584 -0.101 0.000 1.186 342 A CA 1.515 53.515 52.037 -0.062 0.000 0.616 342 A CB -0.335 18.644 19.000 -0.034 0.000 0.823 342 A HN 0.605 nan 8.150 nan 0.000 0.442 343 R N 0.328 120.786 120.500 -0.070 0.000 2.313 343 R HA 0.078 4.417 4.340 -0.002 0.000 0.199 343 R C -0.023 176.157 176.300 -0.200 0.000 0.958 343 R CA -0.000 56.056 56.100 -0.073 0.000 1.047 343 R CB -0.579 29.771 30.300 0.082 0.000 0.955 343 R HN 0.567 nan 8.270 nan 0.000 0.481 344 Q N 1.961 121.656 119.800 -0.174 0.000 2.247 344 Q HA -0.016 4.323 4.340 -0.002 0.000 0.288 344 Q C -0.952 174.876 176.000 -0.287 0.000 1.079 344 Q CA 0.796 56.514 55.803 -0.141 0.000 0.932 344 Q CB 0.328 29.016 28.738 -0.082 0.000 1.133 344 Q HN 0.337 nan 8.270 nan 0.000 0.377 345 H N 2.100 121.183 119.070 0.022 0.000 2.481 345 H HA 0.378 4.933 4.556 -0.002 0.000 0.333 345 H C -0.515 174.787 175.328 -0.044 0.000 1.066 345 H CA -0.499 55.565 56.048 0.027 0.000 1.209 345 H CB 1.005 30.808 29.762 0.068 0.000 1.445 345 H HN 0.484 nan 8.280 nan 0.000 0.488 346 I N 2.445 123.039 120.570 0.041 0.000 2.365 346 I HA 0.143 4.312 4.170 -0.002 0.000 0.291 346 I C 0.121 176.182 176.117 -0.093 0.000 1.004 346 I CA 0.054 61.282 61.300 -0.120 0.000 1.311 346 I CB 0.903 38.812 38.000 -0.151 0.000 1.401 346 I HN 0.565 nan 8.210 nan 0.000 0.491 347 E N 8.371 128.455 120.200 -0.194 0.000 2.279 347 E HA 0.425 4.774 4.350 -0.002 0.000 0.252 347 E C -1.159 175.343 176.600 -0.163 0.000 0.894 347 E CA -0.586 55.745 56.400 -0.115 0.000 0.785 347 E CB 1.446 31.103 29.700 -0.072 0.000 1.237 347 E HN 0.572 nan 8.360 nan 0.000 0.418 348 M N 0.931 120.470 119.600 -0.101 0.000 2.727 348 M HA 0.668 5.147 4.480 -0.002 0.000 0.300 348 M C -0.900 175.401 176.300 0.001 0.000 1.246 348 M CA -0.793 54.482 55.300 -0.041 0.000 0.835 348 M CB 2.329 34.943 32.600 0.023 0.000 1.755 348 M HN 0.190 nan 8.290 nan 0.000 0.473 349 S N -0.776 114.931 115.700 0.012 0.000 2.536 349 S HA 0.545 5.014 4.470 -0.002 0.000 0.287 349 S C -0.134 174.456 174.600 -0.017 0.000 1.101 349 S CA -0.475 57.714 58.200 -0.019 0.000 0.950 349 S CB 2.129 65.279 63.200 -0.083 0.000 1.056 349 S HN 0.817 nan 8.310 nan 0.000 0.481 350 T N 2.235 116.778 114.554 -0.019 0.000 3.040 350 T HA 0.070 4.419 4.350 -0.002 0.000 0.252 350 T C 1.599 176.276 174.700 -0.039 0.000 1.064 350 T CA 1.170 63.263 62.100 -0.012 0.000 1.110 350 T CB -0.081 68.789 68.868 0.004 0.000 0.921 350 T HN 0.812 nan 8.240 nan 0.000 0.480 351 T N -1.209 113.302 114.554 -0.072 0.000 3.015 351 T HA 0.516 4.865 4.350 -0.002 0.000 0.250 351 T C 1.158 175.648 174.700 -0.351 0.000 1.057 351 T CA 0.324 62.369 62.100 -0.091 0.000 1.066 351 T CB 0.591 69.491 68.868 0.053 0.000 0.959 351 T HN 0.393 nan 8.240 nan 0.000 0.488 352 G N 0.420 108.794 108.800 -0.710 0.000 3.000 352 G HA2 0.529 4.488 3.960 -0.002 0.000 0.170 352 G HA3 0.529 4.488 3.960 -0.002 0.000 0.170 352 G C -1.575 173.078 174.900 -0.411 0.000 1.160 352 G CA -0.689 43.823 45.100 -0.979 0.000 0.945 352 G HN 0.468 nan 8.290 nan 0.000 0.593 353 W N -0.479 120.598 121.300 -0.372 0.000 2.492 353 W HA 0.765 5.424 4.660 -0.001 0.000 0.373 353 W C -0.545 175.935 176.519 -0.064 0.000 1.323 353 W CA -1.304 55.946 57.345 -0.158 0.000 1.406 353 W CB 0.768 30.130 29.460 -0.163 0.000 1.398 353 W HN 0.252 nan 8.180 nan 0.000 0.671 354 V N 2.774 122.763 119.914 0.125 0.000 2.394 354 V HA 0.720 4.839 4.120 -0.002 0.000 0.282 354 V C 0.718 176.860 176.094 0.079 0.000 1.031 354 V CA 0.468 62.784 62.300 0.028 0.000 0.881 354 V CB 0.012 31.855 31.823 0.033 0.000 0.982 354 V HN 1.266 nan 8.190 nan 0.000 0.451 355 G N 5.379 114.173 108.800 -0.009 0.000 2.685 355 G HA2 -0.162 3.797 3.960 -0.002 0.000 0.387 355 G HA3 -0.162 3.797 3.960 -0.002 0.000 0.387 355 G C 0.264 175.193 174.900 0.048 0.000 1.324 355 G CA 0.147 45.265 45.100 0.031 0.000 0.878 355 G HN 0.581 nan 8.290 nan 0.000 0.527 356 R N -1.217 119.321 120.500 0.063 0.000 2.048 356 R HA 0.262 4.601 4.340 -0.002 0.000 0.224 356 R C 2.129 178.368 176.300 -0.101 0.000 1.163 356 R CA 1.949 58.040 56.100 -0.016 0.000 0.956 356 R CB -0.115 30.186 30.300 0.001 0.000 0.849 356 R HN 0.434 nan 8.270 nan 0.000 0.435 357 F N -0.455 119.610 119.950 0.192 0.000 2.740 357 F HA 0.255 4.781 4.527 -0.002 0.000 0.304 357 F C 0.385 176.208 175.800 0.038 0.000 1.098 357 F CA -0.340 57.732 58.000 0.120 0.000 1.258 357 F CB 0.696 39.755 39.000 0.099 0.000 1.061 357 F HN -0.091 nan 8.300 nan 0.000 0.598 358 R N -1.411 119.211 120.500 0.203 0.000 2.733 358 R HA 0.459 4.798 4.340 -0.002 0.000 0.272 358 R C -3.176 173.166 176.300 0.071 0.000 1.029 358 R CA -2.212 53.938 56.100 0.084 0.000 0.888 358 R CB -0.184 30.119 30.300 0.004 0.000 1.251 358 R HN -0.393 nan 8.270 nan 0.000 0.464 359 P HA -0.083 nan 4.420 nan 0.000 0.259 359 P C -0.273 177.019 177.300 -0.013 0.000 1.163 359 P CA 0.515 63.609 63.100 -0.010 0.000 0.760 359 P CB 0.474 32.145 31.700 -0.049 0.000 0.762 360 S N 2.161 117.861 115.700 0.001 0.000 2.580 360 S HA 0.039 4.508 4.470 -0.002 0.000 0.266 360 S C 0.152 174.728 174.600 -0.040 0.000 1.354 360 S CA -0.658 57.554 58.200 0.021 0.000 1.008 360 S CB 0.628 63.859 63.200 0.051 0.000 0.898 360 S HN 0.567 nan 8.310 nan 0.000 0.555 361 E N 1.576 121.769 120.200 -0.011 0.000 2.266 361 E HA 0.352 4.701 4.350 -0.002 0.000 0.277 361 E C -2.646 173.839 176.600 -0.192 0.000 1.018 361 E CA -2.515 53.816 56.400 -0.115 0.000 0.840 361 E CB 1.037 30.692 29.700 -0.074 0.000 1.082 361 E HN 0.429 nan 8.360 nan 0.000 0.395 362 P HA 0.241 nan 4.420 nan 0.000 0.284 362 P C -1.393 175.570 177.300 -0.561 0.000 1.253 362 P CA -0.338 62.432 63.100 -0.550 0.000 0.800 362 P CB 0.671 31.722 31.700 -1.083 0.000 0.961 363 H N 1.661 120.614 119.070 -0.196 0.000 2.638 363 H HA 0.426 4.981 4.556 -0.002 0.000 0.317 363 H C -0.357 174.999 175.328 0.047 0.000 1.006 363 H CA -0.214 55.833 56.048 -0.003 0.000 1.222 363 H CB 0.053 29.888 29.762 0.122 0.000 1.419 363 H HN 0.225 nan 8.280 nan 0.000 0.489 364 F N 1.270 121.405 119.950 0.308 0.000 2.371 364 F HA 0.265 4.791 4.527 -0.002 0.000 0.329 364 F C 1.153 177.134 175.800 0.302 0.000 1.107 364 F CA -0.751 57.434 58.000 0.309 0.000 1.137 364 F CB 1.137 40.271 39.000 0.223 0.000 1.214 364 F HN 0.398 nan 8.300 nan 0.000 0.536 365 T N 0.453 115.311 114.554 0.506 0.000 2.909 365 T HA 0.277 4.626 4.350 -0.002 0.000 0.289 365 T C 1.355 176.235 174.700 0.300 0.000 1.005 365 T CA -0.763 61.557 62.100 0.366 0.000 1.084 365 T CB 0.873 69.943 68.868 0.337 0.000 0.975 365 T HN 0.639 nan 8.240 nan 0.000 0.509 366 L N 1.451 122.810 121.223 0.226 0.000 2.085 366 L HA -0.286 4.053 4.340 -0.002 0.000 0.218 366 L C 2.444 179.410 176.870 0.160 0.000 1.080 366 L CA 2.548 57.495 54.840 0.178 0.000 0.776 366 L CB -0.667 41.474 42.059 0.137 0.000 0.891 366 L HN 0.915 nan 8.230 nan 0.000 0.437 367 D N -1.542 118.952 120.400 0.157 0.000 2.224 367 D HA -0.043 4.596 4.640 -0.002 0.000 0.205 367 D C 1.494 177.874 176.300 0.133 0.000 0.965 367 D CA 0.904 54.983 54.000 0.131 0.000 0.852 367 D CB -0.236 40.635 40.800 0.119 0.000 0.947 367 D HN 0.346 nan 8.370 nan 0.000 0.494 368 G N -0.001 108.906 108.800 0.179 0.000 2.136 368 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.242 368 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.242 368 G C 0.720 175.720 174.900 0.168 0.000 0.989 368 G CA 0.257 45.441 45.100 0.140 0.000 0.682 368 G HN 0.312 nan 8.290 nan 0.000 0.522 369 N N 0.109 118.926 118.700 0.196 0.000 2.280 369 N HA 0.204 4.943 4.740 -0.002 0.000 0.192 369 N C 0.836 176.442 175.510 0.160 0.000 1.109 369 N CA 1.063 54.209 53.050 0.160 0.000 0.855 369 N CB 0.618 39.169 38.487 0.106 0.000 0.974 369 N HN 0.913 nan 8.380 nan 0.000 0.482 370 S N -0.307 115.535 115.700 0.237 0.000 2.625 370 S HA 0.774 5.243 4.470 -0.002 0.000 0.271 370 S C -1.068 173.652 174.600 0.200 0.000 1.161 370 S CA -0.950 57.263 58.200 0.020 0.000 0.820 370 S CB 1.835 64.946 63.200 -0.148 0.000 1.137 370 S HN 0.110 nan 8.310 nan 0.000 0.470 371 F N -2.068 117.783 119.950 -0.165 0.000 2.693 371 F HA 0.817 5.343 4.527 -0.001 0.000 0.309 371 F C -2.304 173.322 175.800 -0.290 0.000 1.129 371 F CA -1.547 56.294 58.000 -0.265 0.000 0.948 371 F CB 0.456 38.982 39.000 -0.790 0.000 1.315 371 F HN 0.612 nan 8.300 nan 0.000 0.447 372 Y N 1.016 121.482 120.300 0.277 0.000 2.429 372 Y HA 0.758 5.307 4.550 -0.002 0.000 0.342 372 Y C -0.285 175.780 175.900 0.275 0.000 1.004 372 Y CA -1.119 57.133 58.100 0.254 0.000 1.075 372 Y CB 2.188 40.730 38.460 0.136 0.000 1.214 372 Y HN 0.789 nan 8.280 nan 0.000 0.455 373 K N 2.608 123.246 120.400 0.397 0.000 2.569 373 K HA 0.484 4.803 4.320 -0.002 0.000 0.259 373 K C -1.705 175.037 176.600 0.237 0.000 0.932 373 K CA -0.467 55.972 56.287 0.253 0.000 0.833 373 K CB 1.559 34.112 32.500 0.087 0.000 1.340 373 K HN 0.732 nan 8.250 nan 0.000 0.429 374 I N 4.919 125.588 120.570 0.165 0.000 2.588 374 I HA 0.187 4.356 4.170 -0.002 0.000 0.283 374 I C 0.129 176.335 176.117 0.148 0.000 1.119 374 I CA -0.253 61.131 61.300 0.139 0.000 1.419 374 I CB 0.348 38.397 38.000 0.082 0.000 1.394 374 I HN 0.399 nan 8.210 nan 0.000 0.562 375 I N 3.870 124.560 120.570 0.199 0.000 2.913 375 I HA 0.157 4.326 4.170 -0.002 0.000 0.302 375 I C -0.030 176.189 176.117 0.170 0.000 1.246 375 I CA -0.541 60.883 61.300 0.208 0.000 1.010 375 I CB 2.022 40.212 38.000 0.318 0.000 1.259 375 I HN 0.435 nan 8.210 nan 0.000 0.434 376 S N 4.203 119.952 115.700 0.080 0.000 2.533 376 S HA 0.185 4.654 4.470 -0.002 0.000 0.282 376 S C 0.129 174.794 174.600 0.108 0.000 1.304 376 S CA -0.348 57.856 58.200 0.006 0.000 1.063 376 S CB -0.074 63.084 63.200 -0.069 0.000 0.881 376 S HN 0.768 nan 8.310 nan 0.000 0.493 377 N N 2.225 120.910 118.700 -0.024 0.000 2.478 377 N HA 0.218 4.957 4.740 -0.002 0.000 0.275 377 N C 0.929 176.430 175.510 -0.016 0.000 1.221 377 N CA -0.633 52.370 53.050 -0.079 0.000 0.979 377 N CB 0.623 38.654 38.487 -0.760 0.000 1.202 377 N HN 0.740 nan 8.380 nan 0.000 0.564 378 E N -0.347 119.867 120.200 0.024 0.000 2.331 378 E HA -0.230 4.119 4.350 -0.002 0.000 0.199 378 E C 0.468 177.063 176.600 -0.008 0.000 1.008 378 E CA 1.432 57.844 56.400 0.020 0.000 0.843 378 E CB -0.191 29.531 29.700 0.036 0.000 0.761 378 E HN 0.687 nan 8.360 nan 0.000 0.507 379 E N -0.374 119.816 120.200 -0.017 0.000 2.476 379 E HA 0.191 4.540 4.350 -0.002 0.000 0.196 379 E C 0.768 177.397 176.600 0.048 0.000 1.029 379 E CA 0.353 56.774 56.400 0.035 0.000 0.896 379 E CB 1.004 30.738 29.700 0.058 0.000 1.012 379 E HN 0.448 nan 8.360 nan 0.000 0.475 380 G N 0.298 109.064 108.800 -0.056 0.000 2.157 380 G HA2 -0.286 3.673 3.960 -0.002 0.000 0.248 380 G HA3 -0.286 3.673 3.960 -0.002 0.000 0.248 380 G C -0.385 174.262 174.900 -0.422 0.000 0.979 380 G CA -0.188 44.767 45.100 -0.240 0.000 0.650 380 G HN 0.216 nan 8.290 nan 0.000 0.529 381 Y N -0.373 119.800 120.300 -0.212 0.000 2.419 381 Y HA 0.715 5.264 4.550 -0.002 0.000 0.328 381 Y C 1.063 176.791 175.900 -0.287 0.000 1.162 381 Y CA -1.021 56.927 58.100 -0.253 0.000 1.174 381 Y CB 1.066 39.382 38.460 -0.239 0.000 1.228 381 Y HN 0.045 nan 8.280 nan 0.000 0.473 382 R N 2.669 123.011 120.500 -0.263 0.000 2.204 382 R HA 0.301 4.640 4.340 -0.002 0.000 0.341 382 R C -0.969 175.019 176.300 -0.520 0.000 1.035 382 R CA -0.187 55.748 56.100 -0.276 0.000 0.887 382 R CB -0.015 30.169 30.300 -0.193 0.000 1.114 382 R HN 0.673 nan 8.270 nan 0.000 0.473 383 H N 2.019 120.974 119.070 -0.192 0.000 2.855 383 H HA 0.345 4.901 4.556 -0.002 0.000 0.363 383 H C 0.154 175.479 175.328 -0.005 0.000 1.185 383 H CA -0.944 54.960 56.048 -0.240 0.000 1.174 383 H CB 1.657 31.131 29.762 -0.480 0.000 1.857 383 H HN 0.299 nan 8.280 nan 0.000 0.565 384 I N 0.857 121.475 120.570 0.080 0.000 2.634 384 I HA 0.012 4.181 4.170 -0.002 0.000 0.284 384 I C 0.410 176.678 176.117 0.251 0.000 1.124 384 I CA 0.352 61.715 61.300 0.105 0.000 1.417 384 I CB 0.452 38.405 38.000 -0.078 0.000 1.396 384 I HN 0.175 nan 8.210 nan 0.000 0.571 385 c N 5.950 124.692 118.600 0.237 0.000 2.634 385 c HA 0.448 5.017 4.570 -0.002 0.000 0.313 385 c C -0.712 173.428 174.090 0.084 0.000 1.198 385 c CA -0.557 55.794 56.329 0.036 0.000 1.605 385 c CB 1.463 43.854 42.510 -0.199 0.000 2.196 385 c HN 0.637 nan 8.230 nan 0.000 0.486 386 Y N 3.610 123.712 120.300 -0.331 0.000 2.353 386 Y HA 0.664 5.213 4.550 -0.002 0.000 0.340 386 Y C -1.133 174.382 175.900 -0.642 0.000 0.972 386 Y CA -0.991 56.835 58.100 -0.458 0.000 1.157 386 Y CB 0.233 38.495 38.460 -0.331 0.000 1.157 386 Y HN 0.571 nan 8.280 nan 0.000 0.495 387 F N 4.531 123.816 119.950 -1.108 0.000 2.444 387 F HA 0.469 4.995 4.527 -0.001 0.000 0.342 387 F C -0.151 174.807 175.800 -1.403 0.000 1.121 387 F CA -0.637 56.586 58.000 -1.294 0.000 0.997 387 F CB 1.577 39.475 39.000 -1.836 0.000 1.130 387 F HN 0.368 nan 8.300 nan 0.000 0.454 388 Q N 3.576 122.890 119.800 -0.809 0.000 2.271 388 Q HA 0.342 4.681 4.340 -0.002 0.000 0.258 388 Q C 0.925 176.809 176.000 -0.193 0.000 0.936 388 Q CA -0.662 54.831 55.803 -0.516 0.000 0.909 388 Q CB 2.618 31.119 28.738 -0.395 0.000 1.253 388 Q HN 0.729 nan 8.270 nan 0.000 0.440 389 I N 1.640 122.189 120.570 -0.035 0.000 2.194 389 I HA -0.336 3.833 4.170 -0.002 0.000 0.246 389 I C 1.349 177.611 176.117 0.241 0.000 1.093 389 I CA 1.732 63.163 61.300 0.219 0.000 1.355 389 I CB 0.158 38.299 38.000 0.235 0.000 1.046 389 I HN 0.709 nan 8.210 nan 0.000 0.413 390 D N -0.012 120.446 120.400 0.097 0.000 2.348 390 D HA 0.004 4.643 4.640 -0.002 0.000 0.211 390 D C 0.709 177.022 176.300 0.022 0.000 0.998 390 D CA 0.549 54.575 54.000 0.044 0.000 0.873 390 D CB 0.253 41.064 40.800 0.019 0.000 0.925 390 D HN 0.276 nan 8.370 nan 0.000 0.524 391 K N 1.810 122.232 120.400 0.037 0.000 2.130 391 K HA 0.194 4.513 4.320 -0.002 0.000 0.268 391 K C 0.107 176.718 176.600 0.018 0.000 0.983 391 K CA -0.613 55.669 56.287 -0.007 0.000 0.893 391 K CB 2.062 34.523 32.500 -0.066 0.000 1.066 391 K HN -0.044 nan 8.250 nan 0.000 0.450 392 K N 2.555 122.941 120.400 -0.023 0.000 2.485 392 K HA -0.036 4.283 4.320 -0.002 0.000 0.277 392 K C -0.256 176.299 176.600 -0.074 0.000 0.990 392 K CA -0.020 56.250 56.287 -0.028 0.000 0.994 392 K CB 0.215 32.692 32.500 -0.039 0.000 0.906 392 K HN 0.571 nan 8.250 nan 0.000 0.488 393 D N -0.743 119.615 120.400 -0.071 0.000 3.582 393 D HA -0.266 4.373 4.640 -0.002 0.000 0.258 393 D C -0.100 175.926 176.300 -0.456 0.000 1.930 393 D CA 1.164 55.044 54.000 -0.199 0.000 1.144 393 D CB -1.112 39.565 40.800 -0.205 0.000 0.858 393 D HN 1.056 nan 8.370 nan 0.000 1.045 394 c N -2.992 115.194 118.600 -0.690 0.000 3.321 394 c HA 0.751 5.320 4.570 -0.002 0.000 0.329 394 c C -0.687 172.989 174.090 -0.691 0.000 1.394 394 c CA -0.480 55.242 56.329 -1.011 0.000 1.291 394 c CB 1.644 42.867 42.510 -2.145 0.000 1.606 394 c HN 0.689 nan 8.230 nan 0.000 0.463 395 T N 1.705 115.951 114.554 -0.512 0.000 2.779 395 T HA 0.558 4.907 4.350 -0.002 0.000 0.280 395 T C -0.768 173.797 174.700 -0.226 0.000 0.987 395 T CA 0.061 62.008 62.100 -0.254 0.000 0.966 395 T CB 0.558 69.441 68.868 0.025 0.000 0.933 395 T HN 0.460 nan 8.240 nan 0.000 0.442 396 F N 3.467 123.354 119.950 -0.106 0.000 2.506 396 F HA 0.251 4.777 4.527 -0.002 0.000 0.371 396 F C 1.582 177.294 175.800 -0.147 0.000 1.078 396 F CA -1.301 56.621 58.000 -0.129 0.000 1.195 396 F CB 0.299 39.211 39.000 -0.147 0.000 1.099 396 F HN 0.581 nan 8.300 nan 0.000 0.548 397 I N -0.086 120.459 120.570 -0.041 0.000 3.645 397 I HA 0.161 4.330 4.170 -0.002 0.000 0.300 397 I C 0.382 176.390 176.117 -0.183 0.000 1.260 397 I CA 0.285 61.398 61.300 -0.312 0.000 1.365 397 I CB 0.120 37.600 38.000 -0.866 0.000 1.077 397 I HN 0.480 nan 8.210 nan 0.000 0.439 398 T N 0.743 115.188 114.554 -0.182 0.000 2.908 398 T HA 0.644 4.993 4.350 -0.002 0.000 0.290 398 T C -0.591 173.671 174.700 -0.729 0.000 1.034 398 T CA -0.697 61.242 62.100 -0.269 0.000 1.010 398 T CB 2.511 71.274 68.868 -0.176 0.000 1.068 398 T HN 0.476 nan 8.240 nan 0.000 0.481 399 K N 0.301 120.155 120.400 -0.911 0.000 2.579 399 K HA 0.762 5.081 4.320 -0.002 0.000 0.284 399 K C -0.341 175.701 176.600 -0.931 0.000 0.990 399 K CA -0.849 54.707 56.287 -1.219 0.000 0.880 399 K CB 1.492 33.633 32.500 -0.598 0.000 1.488 399 K HN 1.600 nan 8.250 nan 0.000 0.425 400 G N -0.110 108.203 108.800 -0.813 0.000 2.371 400 G HA2 -0.031 3.928 3.960 -0.002 0.000 0.663 400 G HA3 -0.031 3.928 3.960 -0.002 0.000 0.663 400 G C -1.014 173.450 174.900 -0.727 0.000 1.311 400 G CA -0.569 44.222 45.100 -0.515 0.000 0.985 400 G HN 0.473 nan 8.290 nan 0.000 0.566 401 T N 2.433 116.699 114.554 -0.480 0.000 3.783 401 T HA 0.509 4.858 4.350 -0.002 0.000 0.262 401 T C -0.052 174.552 174.700 -0.160 0.000 1.381 401 T CA 0.736 62.386 62.100 -0.750 0.000 1.155 401 T CB -1.063 67.546 68.868 -0.433 0.000 1.256 401 T HN 0.768 nan 8.240 nan 0.000 0.807 402 W N -0.110 121.078 121.300 -0.187 0.000 2.826 402 W HA 0.609 5.268 4.660 -0.002 0.000 0.410 402 W C -1.406 175.087 176.519 -0.043 0.000 1.128 402 W CA -1.021 56.318 57.345 -0.011 0.000 1.176 402 W CB 0.752 30.188 29.460 -0.041 0.000 1.475 402 W HN 0.004 nan 8.180 nan 0.000 0.588 403 E N 0.603 120.908 120.200 0.175 0.000 2.367 403 E HA 0.464 4.813 4.350 -0.002 0.000 0.273 403 E C -1.295 175.353 176.600 0.080 0.000 0.903 403 E CA -1.154 55.127 56.400 -0.199 0.000 0.764 403 E CB 3.327 32.990 29.700 -0.061 0.000 1.252 403 E HN 0.145 nan 8.360 nan 0.000 0.446 404 V N 2.896 122.728 119.914 -0.137 0.000 2.461 404 V HA 0.025 4.144 4.120 -0.002 0.000 0.275 404 V C 0.869 177.041 176.094 0.130 0.000 1.047 404 V CA 0.161 62.531 62.300 0.116 0.000 0.955 404 V CB 0.834 32.622 31.823 -0.059 0.000 0.988 404 V HN 0.670 nan 8.190 nan 0.000 0.471 405 I N 3.467 124.152 120.570 0.192 0.000 2.277 405 I HA 0.261 4.430 4.170 -0.002 0.000 0.243 405 I C 1.178 177.400 176.117 0.175 0.000 1.094 405 I CA 1.262 62.666 61.300 0.174 0.000 1.393 405 I CB -0.203 37.844 38.000 0.078 0.000 1.078 405 I HN 0.776 nan 8.210 nan 0.000 0.417 406 G N -0.702 108.202 108.800 0.173 0.000 2.673 406 G HA2 0.530 4.489 3.960 -0.002 0.000 0.292 406 G HA3 0.530 4.489 3.960 -0.002 0.000 0.292 406 G C -1.406 173.576 174.900 0.138 0.000 1.450 406 G CA -0.549 44.646 45.100 0.158 0.000 0.837 406 G HN -0.079 nan 8.290 nan 0.000 0.505 407 I N 1.307 121.891 120.570 0.023 0.000 2.342 407 I HA 0.279 4.448 4.170 -0.002 0.000 0.291 407 I C 0.674 176.709 176.117 -0.138 0.000 1.010 407 I CA -0.509 60.702 61.300 -0.149 0.000 1.308 407 I CB 1.823 39.521 38.000 -0.504 0.000 1.400 407 I HN 0.527 nan 8.210 nan 0.000 0.488 408 E N 4.943 125.136 120.200 -0.012 0.000 2.372 408 E HA 0.373 4.722 4.350 -0.002 0.000 0.201 408 E C -0.015 176.589 176.600 0.006 0.000 0.938 408 E CA 0.126 56.590 56.400 0.107 0.000 0.944 408 E CB 1.174 31.045 29.700 0.285 0.000 0.937 408 E HN 0.658 nan 8.360 nan 0.000 0.495 409 A N 0.681 123.402 122.820 -0.165 0.000 2.599 409 A HA 0.592 4.911 4.320 -0.002 0.000 0.294 409 A C -1.813 175.677 177.584 -0.156 0.000 1.055 409 A CA -0.605 51.307 52.037 -0.209 0.000 0.683 409 A CB 1.056 19.691 19.000 -0.609 0.000 1.278 409 A HN 0.061 nan 8.150 nan 0.000 0.412 410 L N 2.114 123.298 121.223 -0.064 0.000 2.381 410 L HA 0.749 5.088 4.340 -0.002 0.000 0.274 410 L C 0.165 177.034 176.870 -0.002 0.000 0.988 410 L CA -0.204 54.605 54.840 -0.053 0.000 0.824 410 L CB 2.272 44.366 42.059 0.057 0.000 1.263 410 L HN 1.179 nan 8.230 nan 0.000 0.410 411 T N -1.528 113.010 114.554 -0.026 0.000 2.807 411 T HA 0.321 4.670 4.350 -0.002 0.000 0.277 411 T C 1.124 175.830 174.700 0.011 0.000 1.006 411 T CA -0.051 62.065 62.100 0.025 0.000 1.006 411 T CB 1.424 70.328 68.868 0.060 0.000 1.274 411 T HN 0.512 nan 8.240 nan 0.000 0.569 412 S N 0.523 116.235 115.700 0.019 0.000 2.383 412 S HA -0.113 4.356 4.470 -0.002 0.000 0.229 412 S C 0.955 175.512 174.600 -0.071 0.000 1.030 412 S CA 1.379 59.580 58.200 0.002 0.000 1.002 412 S CB -0.477 62.727 63.200 0.007 0.000 0.829 412 S HN 0.799 nan 8.310 nan 0.000 0.467 413 D N -1.064 119.249 120.400 -0.146 0.000 2.454 413 D HA 0.217 4.856 4.640 -0.002 0.000 0.214 413 D C -0.444 175.502 176.300 -0.591 0.000 1.088 413 D CA 0.322 54.099 54.000 -0.373 0.000 0.855 413 D CB 0.411 40.928 40.800 -0.470 0.000 1.025 413 D HN 0.407 nan 8.370 nan 0.000 0.502 414 Y N 0.293 120.463 120.300 -0.217 0.000 2.492 414 Y HA 0.456 5.005 4.550 -0.002 0.000 0.346 414 Y C -0.724 174.846 175.900 -0.550 0.000 0.997 414 Y CA -1.049 56.807 58.100 -0.406 0.000 1.025 414 Y CB 2.703 40.817 38.460 -0.576 0.000 1.263 414 Y HN -0.247 nan 8.280 nan 0.000 0.454 415 L N 3.585 124.573 121.223 -0.392 0.000 2.313 415 L HA 0.565 4.904 4.340 -0.002 0.000 0.283 415 L C -1.635 174.974 176.870 -0.435 0.000 1.013 415 L CA -0.518 54.051 54.840 -0.451 0.000 0.816 415 L CB 0.734 42.505 42.059 -0.481 0.000 1.236 415 L HN 0.600 nan 8.230 nan 0.000 0.419 416 Y N 4.840 125.036 120.300 -0.173 0.000 2.323 416 Y HA 0.497 5.046 4.550 -0.002 0.000 0.331 416 Y C -0.372 175.534 175.900 0.009 0.000 1.092 416 Y CA -0.345 57.665 58.100 -0.150 0.000 1.150 416 Y CB 1.108 39.339 38.460 -0.381 0.000 1.200 416 Y HN 0.545 nan 8.280 nan 0.000 0.472 417 Y N 0.021 120.386 120.300 0.109 0.000 2.615 417 Y HA 0.821 5.369 4.550 -0.002 0.000 0.341 417 Y C -1.858 174.127 175.900 0.141 0.000 1.089 417 Y CA -2.016 56.134 58.100 0.083 0.000 1.049 417 Y CB 1.194 39.675 38.460 0.036 0.000 1.296 417 Y HN 0.442 nan 8.280 nan 0.000 0.470 418 I N 2.737 123.453 120.570 0.245 0.000 2.433 418 I HA 0.623 4.792 4.170 -0.002 0.000 0.292 418 I C -0.367 175.896 176.117 0.244 0.000 1.001 418 I CA -0.373 61.008 61.300 0.135 0.000 1.119 418 I CB 1.986 40.023 38.000 0.061 0.000 1.289 418 I HN 0.853 nan 8.210 nan 0.000 0.438 419 S N 3.832 119.641 115.700 0.183 0.000 2.685 419 S HA 0.435 4.904 4.470 -0.002 0.000 0.282 419 S C -0.579 174.061 174.600 0.065 0.000 1.159 419 S CA -0.843 57.475 58.200 0.197 0.000 0.833 419 S CB 1.617 64.949 63.200 0.221 0.000 1.151 419 S HN 0.759 nan 8.310 nan 0.000 0.485 420 N N -0.436 118.307 118.700 0.071 0.000 2.458 420 N HA 0.206 4.945 4.740 -0.002 0.000 0.274 420 N C 0.717 176.186 175.510 -0.070 0.000 1.242 420 N CA -0.388 52.658 53.050 -0.006 0.000 0.904 420 N CB 0.510 38.987 38.487 -0.017 0.000 1.206 420 N HN 0.746 nan 8.380 nan 0.000 0.510 421 E N 0.565 120.568 120.200 -0.328 0.000 2.046 421 E HA -0.209 4.140 4.350 -0.002 0.000 0.190 421 E C -0.114 176.325 176.600 -0.267 0.000 0.982 421 E CA 0.354 56.310 56.400 -0.739 0.000 0.800 421 E CB -0.078 28.606 29.700 -1.693 0.000 0.756 421 E HN 0.415 nan 8.360 nan 0.000 0.449 422 Y N 2.249 122.430 120.300 -0.198 0.000 2.969 422 Y HA -0.161 4.388 4.550 -0.002 0.000 0.339 422 Y C 0.496 176.349 175.900 -0.079 0.000 1.272 422 Y CA 0.606 58.647 58.100 -0.097 0.000 1.577 422 Y CB 0.310 38.739 38.460 -0.052 0.000 1.234 422 Y HN 0.136 nan 8.280 nan 0.000 0.590 423 K N 3.373 123.471 120.400 -0.503 0.000 3.130 423 K HA -0.226 4.093 4.320 -0.002 0.000 0.282 423 K C 0.748 177.273 176.600 -0.126 0.000 1.145 423 K CA 1.030 57.090 56.287 -0.378 0.000 0.831 423 K CB -1.782 30.465 32.500 -0.421 0.000 1.226 423 K HN 1.378 nan 8.250 nan 0.000 0.478 424 G N 0.819 109.561 108.800 -0.096 0.000 2.305 424 G HA2 -0.321 3.638 3.960 -0.002 0.000 0.287 424 G HA3 -0.321 3.638 3.960 -0.002 0.000 0.287 424 G C -0.004 174.896 174.900 0.001 0.000 1.036 424 G CA 0.854 45.945 45.100 -0.015 0.000 0.887 424 G HN 0.345 nan 8.290 nan 0.000 0.505 425 M N -0.131 119.400 119.600 -0.115 0.000 2.043 425 M HA 0.325 4.804 4.480 -0.002 0.000 0.322 425 M C -1.559 174.500 176.300 -0.403 0.000 0.962 425 M CA -2.317 52.780 55.300 -0.338 0.000 0.927 425 M CB 2.160 34.623 32.600 -0.227 0.000 1.466 425 M HN -0.069 nan 8.290 nan 0.000 0.412 426 P HA 0.019 nan 4.420 nan 0.000 0.221 426 P C 1.099 178.216 177.300 -0.305 0.000 1.150 426 P CA 0.825 63.701 63.100 -0.374 0.000 0.800 426 P CB 0.210 31.656 31.700 -0.424 0.000 0.787 427 G N -0.757 107.798 108.800 -0.408 0.000 3.026 427 G HA2 0.217 4.176 3.960 -0.002 0.000 0.208 427 G HA3 0.217 4.176 3.960 -0.002 0.000 0.208 427 G C 0.712 175.600 174.900 -0.020 0.000 1.169 427 G CA 0.092 45.095 45.100 -0.161 0.000 0.788 427 G HN 0.378 nan 8.290 nan 0.000 0.533 428 G N -0.271 108.465 108.800 -0.106 0.000 2.462 428 G HA2 0.621 4.579 3.960 -0.002 0.000 0.319 428 G HA3 0.621 4.579 3.960 -0.002 0.000 0.319 428 G C -0.649 174.132 174.900 -0.199 0.000 1.171 428 G CA -0.787 44.281 45.100 -0.053 0.000 0.920 428 G HN 0.120 nan 8.290 nan 0.000 0.499 429 R N 1.194 121.535 120.500 -0.265 0.000 2.512 429 R HA 0.318 4.657 4.340 -0.002 0.000 0.291 429 R C -1.413 174.821 176.300 -0.111 0.000 1.097 429 R CA -0.740 55.167 56.100 -0.323 0.000 0.940 429 R CB 1.890 31.724 30.300 -0.776 0.000 1.198 429 R HN 0.546 nan 8.270 nan 0.000 0.429 430 N N 2.559 121.225 118.700 -0.056 0.000 2.225 430 N HA 0.344 5.083 4.740 -0.002 0.000 0.298 430 N C -0.533 174.839 175.510 -0.230 0.000 1.076 430 N CA -0.712 52.226 53.050 -0.186 0.000 0.792 430 N CB 2.722 41.009 38.487 -0.334 0.000 1.498 430 N HN 0.346 nan 8.380 nan 0.000 0.474 431 L N 2.490 123.450 121.223 -0.438 0.000 2.455 431 L HA 0.183 4.521 4.340 -0.002 0.000 0.272 431 L C -0.799 175.697 176.870 -0.623 0.000 1.174 431 L CA 0.282 54.877 54.840 -0.407 0.000 0.869 431 L CB 0.080 41.864 42.059 -0.459 0.000 1.130 431 L HN 0.496 nan 8.230 nan 0.000 0.474 432 Y N 3.607 123.555 120.300 -0.587 0.000 2.686 432 Y HA 0.523 5.072 4.550 -0.002 0.000 0.330 432 Y C -0.245 175.465 175.900 -0.318 0.000 1.082 432 Y CA -0.926 56.815 58.100 -0.598 0.000 1.158 432 Y CB 1.435 39.278 38.460 -1.028 0.000 1.333 432 Y HN 0.360 nan 8.280 nan 0.000 0.519 433 K N 1.609 121.998 120.400 -0.017 0.000 2.482 433 K HA 0.588 4.907 4.320 -0.002 0.000 0.251 433 K C -1.952 174.696 176.600 0.080 0.000 0.936 433 K CA -0.346 55.912 56.287 -0.048 0.000 0.791 433 K CB 1.419 33.849 32.500 -0.117 0.000 1.213 433 K HN 0.627 nan 8.250 nan 0.000 0.428 434 I N 3.542 124.163 120.570 0.085 0.000 2.436 434 I HA 0.180 4.349 4.170 -0.002 0.000 0.289 434 I C -0.238 175.977 176.117 0.164 0.000 1.010 434 I CA -0.841 60.547 61.300 0.148 0.000 1.098 434 I CB 2.164 40.223 38.000 0.098 0.000 1.266 434 I HN 0.592 nan 8.210 nan 0.000 0.434 435 Q N 4.569 124.475 119.800 0.177 0.000 2.297 435 Q HA 0.207 4.546 4.340 -0.002 0.000 0.267 435 Q C 0.727 176.739 176.000 0.020 0.000 1.006 435 Q CA -0.012 55.792 55.803 0.003 0.000 0.896 435 Q CB 1.266 30.006 28.738 0.004 0.000 1.186 435 Q HN 0.644 nan 8.270 nan 0.000 0.392 436 L N 1.734 122.902 121.223 -0.091 0.000 2.179 436 L HA -0.101 4.238 4.340 -0.002 0.000 0.208 436 L C 2.104 178.960 176.870 -0.024 0.000 1.096 436 L CA 0.982 55.851 54.840 0.047 0.000 0.779 436 L CB -0.208 41.825 42.059 -0.043 0.000 0.922 436 L HN 0.655 nan 8.230 nan 0.000 0.443 437 S N -2.324 113.299 115.700 -0.129 0.000 2.603 437 S HA -0.037 4.432 4.470 -0.002 0.000 0.220 437 S C 0.437 174.911 174.600 -0.210 0.000 0.967 437 S CA 0.038 58.132 58.200 -0.177 0.000 0.920 437 S CB -0.030 63.085 63.200 -0.140 0.000 0.773 437 S HN 0.321 nan 8.310 nan 0.000 0.529 438 D N -0.145 120.162 120.400 -0.155 0.000 2.319 438 D HA 0.210 4.849 4.640 -0.002 0.000 0.237 438 D C -0.334 175.985 176.300 0.033 0.000 1.353 438 D CA -0.541 53.381 54.000 -0.129 0.000 0.992 438 D CB 0.342 41.102 40.800 -0.067 0.000 1.368 438 D HN -0.038 nan 8.370 nan 0.000 0.564 439 Y N 0.926 121.204 120.300 -0.038 0.000 2.403 439 Y HA -0.135 4.414 4.550 -0.002 0.000 0.291 439 Y C 2.547 178.453 175.900 0.010 0.000 1.143 439 Y CA 1.519 59.607 58.100 -0.019 0.000 1.257 439 Y CB -1.111 37.334 38.460 -0.025 0.000 0.984 439 Y HN 0.411 nan 8.280 nan 0.000 0.550 440 T N -2.554 112.083 114.554 0.138 0.000 3.118 440 T HA -0.015 4.334 4.350 -0.002 0.000 0.260 440 T C 0.753 175.510 174.700 0.094 0.000 1.139 440 T CA 0.152 62.311 62.100 0.098 0.000 1.085 440 T CB -0.268 68.632 68.868 0.054 0.000 0.934 440 T HN 0.085 nan 8.240 nan 0.000 0.518 441 K N 2.031 122.492 120.400 0.101 0.000 2.180 441 K HA 0.432 4.750 4.320 -0.002 0.000 0.250 441 K C -1.185 175.495 176.600 0.133 0.000 1.135 441 K CA -0.312 56.036 56.287 0.102 0.000 1.037 441 K CB 0.732 33.285 32.500 0.088 0.000 1.624 441 K HN 0.131 nan 8.250 nan 0.000 0.382 442 V N 2.665 122.660 119.914 0.134 0.000 2.333 442 V HA 0.155 4.274 4.120 -0.002 0.000 0.274 442 V C 0.006 176.181 176.094 0.135 0.000 1.028 442 V CA -0.589 61.813 62.300 0.169 0.000 0.851 442 V CB 1.284 33.226 31.823 0.198 0.000 1.000 442 V HN 0.526 nan 8.190 nan 0.000 0.456 443 T N 3.929 118.538 114.554 0.092 0.000 2.771 443 T HA 0.175 4.524 4.350 -0.002 0.000 0.281 443 T C -0.077 174.552 174.700 -0.117 0.000 0.982 443 T CA -0.250 61.848 62.100 -0.003 0.000 0.978 443 T CB 1.057 69.902 68.868 -0.039 0.000 0.930 443 T HN 0.739 nan 8.240 nan 0.000 0.447 444 C N 6.068 125.218 119.300 -0.251 0.000 2.520 444 C HA 0.306 4.765 4.460 -0.002 0.000 0.369 444 C C 1.830 176.481 174.990 -0.564 0.000 1.244 444 C CA -0.577 58.025 59.018 -0.694 0.000 1.677 444 C CB -2.209 25.040 27.740 -0.818 0.000 2.324 444 C HN 0.992 nan 8.230 nan 0.000 0.557 445 L N 4.569 125.449 121.223 -0.571 0.000 2.376 445 L HA -0.003 4.336 4.340 -0.002 0.000 0.219 445 L C 2.239 178.814 176.870 -0.492 0.000 1.133 445 L CA 1.523 56.111 54.840 -0.420 0.000 0.816 445 L CB -0.190 41.642 42.059 -0.379 0.000 0.933 445 L HN 0.936 nan 8.230 nan 0.000 0.449 446 S N -3.614 111.676 115.700 -0.684 0.000 2.691 446 S HA -0.034 4.435 4.470 -0.002 0.000 0.258 446 S C 1.860 176.046 174.600 -0.690 0.000 1.078 446 S CA 0.029 57.728 58.200 -0.835 0.000 1.000 446 S CB -0.326 62.039 63.200 -1.392 0.000 0.942 446 S HN 0.301 nan 8.310 nan 0.000 0.521 447 C N 2.835 121.696 119.300 -0.732 0.000 2.375 447 C HA -0.058 4.401 4.460 -0.002 0.000 0.274 447 C C 2.365 177.057 174.990 -0.498 0.000 1.190 447 C CA 1.307 59.830 59.018 -0.825 0.000 1.775 447 C CB -1.004 25.896 27.740 -1.401 0.000 2.067 447 C HN 0.626 nan 8.230 nan 0.000 0.463 448 E N -0.016 119.970 120.200 -0.357 0.000 2.481 448 E HA 0.164 4.513 4.350 -0.002 0.000 0.198 448 E C 1.842 178.385 176.600 -0.094 0.000 1.027 448 E CA -0.060 56.238 56.400 -0.170 0.000 0.900 448 E CB -0.109 29.512 29.700 -0.131 0.000 0.993 448 E HN 0.668 nan 8.360 nan 0.000 0.482 449 L N 0.560 121.720 121.223 -0.105 0.000 2.131 449 L HA -0.064 4.275 4.340 -0.002 0.000 0.210 449 L C 1.161 178.041 176.870 0.018 0.000 1.092 449 L CA 0.938 55.759 54.840 -0.032 0.000 0.759 449 L CB 0.091 42.137 42.059 -0.022 0.000 0.903 449 L HN 0.042 nan 8.230 nan 0.000 0.435 450 N N -1.752 116.972 118.700 0.040 0.000 2.657 450 N HA 0.065 4.804 4.740 -0.002 0.000 0.234 450 N C -2.098 173.435 175.510 0.037 0.000 1.433 450 N CA -0.335 52.736 53.050 0.035 0.000 1.078 450 N CB 0.666 39.175 38.487 0.038 0.000 1.508 450 N HN -0.077 nan 8.380 nan 0.000 0.547 451 P HA -0.082 nan 4.420 nan 0.000 0.226 451 P C 0.600 177.942 177.300 0.071 0.000 1.146 451 P CA 1.227 64.373 63.100 0.076 0.000 0.773 451 P CB 0.657 32.413 31.700 0.094 0.000 0.772 452 E N -0.987 119.234 120.200 0.035 0.000 2.201 452 E HA 0.071 4.420 4.350 -0.002 0.000 0.193 452 E C 2.320 178.916 176.600 -0.005 0.000 0.957 452 E CA 0.134 56.545 56.400 0.020 0.000 0.858 452 E CB -0.153 29.552 29.700 0.008 0.000 0.816 452 E HN 0.043 nan 8.360 nan 0.000 0.475 453 R N -0.429 120.055 120.500 -0.026 0.000 2.075 453 R HA 0.106 4.445 4.340 -0.002 0.000 0.226 453 R C -0.194 176.052 176.300 -0.091 0.000 1.114 453 R CA 0.796 56.855 56.100 -0.068 0.000 0.972 453 R CB 0.223 30.474 30.300 -0.081 0.000 0.869 453 R HN 0.132 nan 8.270 nan 0.000 0.437 454 c N 0.555 119.110 118.600 -0.075 0.000 2.293 454 c HA 0.384 4.953 4.570 -0.002 0.000 0.323 454 c C 0.192 174.267 174.090 -0.025 0.000 1.240 454 c CA -0.657 55.569 56.329 -0.172 0.000 1.497 454 c CB 1.295 43.614 42.510 -0.318 0.000 2.171 454 c HN 0.520 nan 8.230 nan 0.000 0.465 455 Q N 0.426 120.216 119.800 -0.017 0.000 2.140 455 Q HA 0.230 4.569 4.340 -0.002 0.000 0.227 455 Q C -0.936 175.133 176.000 0.115 0.000 0.798 455 Q CA 0.139 56.004 55.803 0.102 0.000 0.987 455 Q CB 0.913 29.716 28.738 0.108 0.000 1.161 455 Q HN 0.809 nan 8.270 nan 0.000 0.480 456 Y N 0.383 120.594 120.300 -0.148 0.000 2.475 456 Y HA 0.342 4.891 4.550 -0.002 0.000 0.343 456 Y C -1.678 174.086 175.900 -0.227 0.000 1.068 456 Y CA -1.030 56.999 58.100 -0.119 0.000 1.307 456 Y CB 0.501 38.895 38.460 -0.109 0.000 1.097 456 Y HN -0.074 nan 8.280 nan 0.000 0.530 457 Y N 2.009 122.214 120.300 -0.159 0.000 2.496 457 Y HA 0.658 5.207 4.550 -0.002 0.000 0.331 457 Y C 0.470 176.285 175.900 -0.141 0.000 1.140 457 Y CA -0.541 57.481 58.100 -0.130 0.000 1.166 457 Y CB 2.091 40.445 38.460 -0.178 0.000 1.249 457 Y HN 0.462 nan 8.280 nan 0.000 0.479 458 S N 0.689 116.443 115.700 0.091 0.000 2.632 458 S HA 0.843 5.312 4.470 -0.002 0.000 0.289 458 S C -1.788 172.838 174.600 0.044 0.000 1.115 458 S CA -0.633 57.602 58.200 0.059 0.000 0.889 458 S CB 1.798 65.049 63.200 0.086 0.000 1.116 458 S HN 0.614 nan 8.310 nan 0.000 0.486 459 V N 0.735 120.665 119.914 0.028 0.000 3.102 459 V HA 0.913 5.032 4.120 -0.002 0.000 0.312 459 V C -1.124 174.978 176.094 0.012 0.000 1.135 459 V CA -0.130 62.138 62.300 -0.053 0.000 1.022 459 V CB 2.352 34.039 31.823 -0.226 0.000 1.056 459 V HN 1.252 nan 8.190 nan 0.000 0.436 460 S N 3.675 119.354 115.700 -0.035 0.000 2.673 460 S HA 0.573 5.042 4.470 -0.002 0.000 0.256 460 S C -1.174 173.497 174.600 0.117 0.000 1.141 460 S CA -0.438 57.856 58.200 0.157 0.000 1.109 460 S CB 0.213 63.582 63.200 0.283 0.000 1.101 460 S HN 0.476 nan 8.310 nan 0.000 0.471 461 F N 3.031 123.019 119.950 0.063 0.000 2.380 461 F HA 0.466 4.992 4.527 -0.002 0.000 0.325 461 F C 1.491 176.967 175.800 -0.539 0.000 1.136 461 F CA -0.044 57.867 58.000 -0.149 0.000 1.171 461 F CB 1.154 40.075 39.000 -0.131 0.000 1.230 461 F HN 0.636 nan 8.300 nan 0.000 0.554 462 S N 0.833 116.095 115.700 -0.730 0.000 2.624 462 S HA 0.277 4.746 4.470 -0.002 0.000 0.263 462 S C -0.296 174.158 174.600 -0.243 0.000 1.287 462 S CA -1.024 56.555 58.200 -1.035 0.000 0.990 462 S CB 0.603 63.136 63.200 -1.111 0.000 0.950 462 S HN 0.555 nan 8.310 nan 0.000 0.561 463 K N 1.529 121.896 120.400 -0.054 0.000 2.165 463 K HA 0.110 4.429 4.320 -0.002 0.000 0.270 463 K C 0.104 176.741 176.600 0.062 0.000 1.091 463 K CA 0.376 56.704 56.287 0.070 0.000 1.019 463 K CB -0.573 32.008 32.500 0.135 0.000 1.101 463 K HN 0.761 nan 8.250 nan 0.000 0.397 464 E N 1.557 121.787 120.200 0.050 0.000 4.458 464 E HA -0.161 4.188 4.350 -0.002 0.000 0.391 464 E C -0.206 176.405 176.600 0.019 0.000 0.578 464 E CA 0.420 56.849 56.400 0.047 0.000 1.552 464 E CB -1.174 28.562 29.700 0.060 0.000 1.909 464 E HN 0.733 nan 8.360 nan 0.000 0.321 465 A N 0.475 123.296 122.820 0.002 0.000 2.860 465 A HA -0.334 3.984 4.320 -0.002 0.000 0.267 465 A C 1.295 178.896 177.584 0.028 0.000 1.421 465 A CA 1.900 53.959 52.037 0.038 0.000 0.831 465 A CB -1.437 17.510 19.000 -0.088 0.000 1.041 465 A HN 0.257 nan 8.150 nan 0.000 0.623 466 K N -1.878 118.457 120.400 -0.108 0.000 2.217 466 K HA 0.042 4.361 4.320 -0.002 0.000 0.202 466 K C -0.122 176.070 176.600 -0.680 0.000 1.051 466 K CA 1.323 57.387 56.287 -0.372 0.000 0.952 466 K CB 0.010 32.247 32.500 -0.438 0.000 0.736 466 K HN 0.768 nan 8.250 nan 0.000 0.453 467 Y N -0.456 119.823 120.300 -0.036 0.000 2.504 467 Y HA 0.264 4.813 4.550 -0.002 0.000 0.344 467 Y C -0.647 175.186 175.900 -0.111 0.000 1.023 467 Y CA -1.838 56.222 58.100 -0.068 0.000 1.020 467 Y CB 1.458 39.883 38.460 -0.059 0.000 1.282 467 Y HN -0.034 nan 8.280 nan 0.000 0.454 468 Y N -0.476 119.789 120.300 -0.058 0.000 2.477 468 Y HA 0.549 5.098 4.550 -0.002 0.000 0.347 468 Y C -0.814 175.062 175.900 -0.041 0.000 0.981 468 Y CA -1.606 56.304 58.100 -0.317 0.000 1.033 468 Y CB 1.605 39.376 38.460 -1.148 0.000 1.245 468 Y HN 0.608 nan 8.280 nan 0.000 0.455 469 Q N 4.845 124.739 119.800 0.157 0.000 2.349 469 Q HA 0.391 4.730 4.340 -0.002 0.000 0.254 469 Q C -1.359 174.669 176.000 0.046 0.000 0.980 469 Q CA -0.378 55.484 55.803 0.098 0.000 0.924 469 Q CB 0.811 29.604 28.738 0.092 0.000 1.209 469 Q HN 0.997 nan 8.270 nan 0.000 0.445 470 L N 4.327 125.570 121.223 0.032 0.000 2.436 470 L HA 0.395 4.734 4.340 -0.002 0.000 0.265 470 L C -0.039 176.841 176.870 0.017 0.000 1.168 470 L CA -0.164 54.694 54.840 0.029 0.000 0.815 470 L CB 0.674 42.733 42.059 0.000 0.000 1.109 470 L HN 0.711 nan 8.230 nan 0.000 0.462 471 R N 1.671 122.156 120.500 -0.024 0.000 2.518 471 R HA 0.467 4.806 4.340 -0.002 0.000 0.287 471 R C -1.097 175.007 176.300 -0.327 0.000 1.135 471 R CA -0.793 55.100 56.100 -0.344 0.000 0.967 471 R CB 0.650 30.686 30.300 -0.441 0.000 1.212 471 R HN 0.612 nan 8.270 nan 0.000 0.422 472 c N 1.195 119.487 118.600 -0.513 0.000 2.391 472 c HA 0.752 5.321 4.570 -0.002 0.000 0.339 472 c C 0.397 174.260 174.090 -0.379 0.000 1.205 472 c CA -0.336 55.625 56.329 -0.614 0.000 1.937 472 c CB 1.770 43.648 42.510 -1.053 0.000 2.341 472 c HN 0.942 nan 8.230 nan 0.000 0.516 473 S N 1.497 117.064 115.700 -0.221 0.000 2.666 473 S HA 0.638 5.107 4.470 -0.002 0.000 0.239 473 S C 0.403 174.960 174.600 -0.073 0.000 1.031 473 S CA 0.423 58.555 58.200 -0.114 0.000 1.015 473 S CB 0.325 63.475 63.200 -0.084 0.000 0.981 473 S HN 1.801 nan 8.310 nan 0.000 0.547 474 G N 1.735 110.474 108.800 -0.102 0.000 2.361 474 G HA2 0.204 4.163 3.960 -0.002 0.000 0.305 474 G HA3 0.204 4.163 3.960 -0.002 0.000 0.305 474 G C -3.146 171.734 174.900 -0.034 0.000 1.367 474 G CA -0.789 44.287 45.100 -0.039 0.000 0.951 474 G HN -0.149 nan 8.290 nan 0.000 0.615 475 P HA 0.123 nan 4.420 nan 0.000 0.223 475 P C 1.511 178.816 177.300 0.007 0.000 1.151 475 P CA 1.663 64.783 63.100 0.034 0.000 0.787 475 P CB 0.153 31.871 31.700 0.030 0.000 0.788 476 G N -0.515 108.218 108.800 -0.112 0.000 2.494 476 G HA2 0.381 4.340 3.960 -0.002 0.000 0.270 476 G HA3 0.381 4.340 3.960 -0.002 0.000 0.270 476 G C -0.444 174.169 174.900 -0.478 0.000 1.423 476 G CA -0.638 44.300 45.100 -0.271 0.000 1.055 476 G HN -0.003 nan 8.290 nan 0.000 0.536 477 L N 0.864 121.758 121.223 -0.549 0.000 2.439 477 L HA 0.224 4.563 4.340 -0.002 0.000 0.269 477 L C -2.005 174.712 176.870 -0.256 0.000 1.179 477 L CA -1.489 53.025 54.840 -0.543 0.000 0.828 477 L CB 0.697 42.509 42.059 -0.412 0.000 1.106 477 L HN 0.215 nan 8.230 nan 0.000 0.467 478 P HA 0.020 nan 4.420 nan 0.000 0.262 478 P C -0.795 176.472 177.300 -0.056 0.000 1.182 478 P CA 0.370 63.417 63.100 -0.088 0.000 0.761 478 P CB 0.439 32.199 31.700 0.101 0.000 0.795 479 L N 5.084 126.188 121.223 -0.199 0.000 2.372 479 L HA 0.403 4.741 4.340 -0.002 0.000 0.274 479 L C -1.224 175.524 176.870 -0.202 0.000 0.988 479 L CA -0.864 53.912 54.840 -0.106 0.000 0.833 479 L CB 0.886 42.877 42.059 -0.113 0.000 1.236 479 L HN 0.331 nan 8.230 nan 0.000 0.410 480 Y N 2.360 122.609 120.300 -0.084 0.000 2.342 480 Y HA 0.437 4.986 4.550 -0.002 0.000 0.338 480 Y C 0.642 176.447 175.900 -0.159 0.000 0.965 480 Y CA -0.635 57.397 58.100 -0.113 0.000 1.159 480 Y CB 1.839 40.203 38.460 -0.160 0.000 1.157 480 Y HN 0.482 nan 8.280 nan 0.000 0.486 481 T N 2.099 116.666 114.554 0.020 0.000 2.861 481 T HA 0.574 4.923 4.350 -0.002 0.000 0.287 481 T C -0.865 173.843 174.700 0.014 0.000 1.003 481 T CA -0.879 61.213 62.100 -0.013 0.000 0.977 481 T CB 1.292 70.213 68.868 0.090 0.000 0.996 481 T HN 0.522 nan 8.240 nan 0.000 0.448 482 L N 2.728 123.878 121.223 -0.121 0.000 2.350 482 L HA 0.537 4.876 4.340 -0.002 0.000 0.275 482 L C -0.609 176.110 176.870 -0.251 0.000 1.099 482 L CA -0.537 54.254 54.840 -0.081 0.000 0.808 482 L CB 0.807 42.824 42.059 -0.070 0.000 1.149 482 L HN 0.862 nan 8.230 nan 0.000 0.442 483 H N 0.436 119.280 119.070 -0.376 0.000 2.895 483 H HA 0.324 4.879 4.556 -0.002 0.000 0.373 483 H C -0.497 174.643 175.328 -0.314 0.000 1.174 483 H CA -0.602 55.129 56.048 -0.529 0.000 1.144 483 H CB 1.979 31.048 29.762 -1.155 0.000 1.793 483 H HN 0.459 nan 8.280 nan 0.000 0.551 484 S N 0.463 116.160 115.700 -0.006 0.000 2.508 484 S HA 0.220 4.689 4.470 -0.002 0.000 0.284 484 S C 0.616 175.227 174.600 0.020 0.000 1.192 484 S CA -0.514 57.753 58.200 0.112 0.000 1.070 484 S CB 1.356 64.672 63.200 0.194 0.000 1.004 484 S HN 0.570 nan 8.310 nan 0.000 0.493 485 S N 2.844 118.547 115.700 0.005 0.000 2.428 485 S HA -0.063 4.406 4.470 -0.002 0.000 0.230 485 S C 1.880 176.526 174.600 0.076 0.000 1.014 485 S CA 0.996 59.283 58.200 0.145 0.000 0.957 485 S CB -0.536 62.739 63.200 0.124 0.000 0.784 485 S HN 0.648 nan 8.310 nan 0.000 0.499 486 V N 3.007 122.925 119.914 0.007 0.000 2.215 486 V HA -0.258 3.861 4.120 -0.002 0.000 0.249 486 V C 1.212 177.334 176.094 0.046 0.000 1.054 486 V CA 2.186 64.501 62.300 0.025 0.000 1.012 486 V CB -0.848 30.977 31.823 0.003 0.000 0.639 486 V HN 0.613 nan 8.190 nan 0.000 0.448 487 N N -1.314 117.410 118.700 0.040 0.000 2.235 487 N HA 0.151 4.889 4.740 -0.002 0.000 0.231 487 N C -0.407 175.125 175.510 0.036 0.000 1.177 487 N CA 0.146 53.218 53.050 0.036 0.000 0.874 487 N CB -0.050 38.456 38.487 0.033 0.000 1.097 487 N HN 0.478 nan 8.380 nan 0.000 0.518 488 D N 0.120 120.555 120.400 0.058 0.000 2.689 488 D HA -0.223 4.416 4.640 -0.002 0.000 0.237 488 D C -0.414 175.928 176.300 0.069 0.000 1.148 488 D CA 0.804 54.860 54.000 0.094 0.000 0.656 488 D CB -0.744 40.103 40.800 0.078 0.000 1.050 488 D HN 0.526 nan 8.370 nan 0.000 0.426 489 K N 0.942 121.361 120.400 0.032 0.000 2.339 489 K HA 0.346 4.665 4.320 -0.002 0.000 0.286 489 K C 0.738 177.285 176.600 -0.088 0.000 1.050 489 K CA -0.097 56.185 56.287 -0.009 0.000 0.956 489 K CB 0.762 33.260 32.500 -0.005 0.000 0.990 489 K HN 0.137 nan 8.250 nan 0.000 0.475 490 G N 4.404 113.111 108.800 -0.155 0.000 2.356 490 G HA2 0.127 4.086 3.960 -0.002 0.000 0.273 490 G HA3 0.127 4.086 3.960 -0.002 0.000 0.273 490 G C 0.559 175.268 174.900 -0.319 0.000 1.213 490 G CA -0.357 44.482 45.100 -0.436 0.000 0.955 490 G HN 0.732 nan 8.290 nan 0.000 0.454 491 L N 1.639 122.640 121.223 -0.370 0.000 2.253 491 L HA 0.384 4.723 4.340 -0.002 0.000 0.205 491 L C 1.464 178.240 176.870 -0.155 0.000 1.078 491 L CA 0.553 55.281 54.840 -0.187 0.000 0.805 491 L CB 0.176 42.159 42.059 -0.127 0.000 0.963 491 L HN 0.518 nan 8.230 nan 0.000 0.459 492 R N -1.808 118.568 120.500 -0.207 0.000 2.739 492 R HA 0.376 4.715 4.340 -0.002 0.000 0.266 492 R C -1.821 174.376 176.300 -0.172 0.000 1.044 492 R CA -0.542 55.469 56.100 -0.148 0.000 0.885 492 R CB 1.962 32.194 30.300 -0.112 0.000 1.260 492 R HN -0.333 nan 8.270 nan 0.000 0.477 493 V N 5.262 125.095 119.914 -0.134 0.000 2.370 493 V HA 0.268 4.387 4.120 -0.002 0.000 0.279 493 V C 0.757 176.743 176.094 -0.181 0.000 1.029 493 V CA -0.244 61.978 62.300 -0.130 0.000 0.870 493 V CB 1.504 33.278 31.823 -0.081 0.000 0.984 493 V HN 0.701 nan 8.190 nan 0.000 0.451 494 L N 3.005 124.056 121.223 -0.286 0.000 2.221 494 L HA 0.341 4.680 4.340 -0.002 0.000 0.202 494 L C 0.661 177.262 176.870 -0.449 0.000 1.074 494 L CA 0.653 55.134 54.840 -0.598 0.000 0.795 494 L CB 0.292 41.671 42.059 -1.132 0.000 0.960 494 L HN 0.674 nan 8.230 nan 0.000 0.458 495 E N -0.321 119.754 120.200 -0.208 0.000 2.388 495 E HA 0.087 4.436 4.350 -0.002 0.000 0.289 495 E C -1.196 175.444 176.600 0.067 0.000 0.944 495 E CA -0.296 56.080 56.400 -0.040 0.000 0.792 495 E CB 1.143 30.819 29.700 -0.041 0.000 1.239 495 E HN 0.161 nan 8.360 nan 0.000 0.412 496 D N 3.390 123.815 120.400 0.042 0.000 2.500 496 D HA 0.101 4.740 4.640 -0.002 0.000 0.217 496 D C -0.330 175.984 176.300 0.023 0.000 1.159 496 D CA -0.233 53.786 54.000 0.031 0.000 0.828 496 D CB -0.001 40.798 40.800 -0.002 0.000 1.039 496 D HN 0.467 nan 8.370 nan 0.000 0.512 497 N N 0.909 119.636 118.700 0.045 0.000 2.747 497 N HA -0.192 4.547 4.740 -0.002 0.000 0.249 497 N C 1.134 176.655 175.510 0.018 0.000 1.107 497 N CA 0.934 54.008 53.050 0.039 0.000 0.707 497 N CB -1.524 36.982 38.487 0.033 0.000 1.054 497 N HN 0.483 nan 8.380 nan 0.000 0.555 498 S N -0.909 114.802 115.700 0.018 0.000 2.368 498 S HA -0.045 4.424 4.470 -0.002 0.000 0.224 498 S C 2.149 176.766 174.600 0.027 0.000 1.029 498 S CA 1.107 59.314 58.200 0.012 0.000 0.988 498 S CB -0.323 62.884 63.200 0.012 0.000 0.838 498 S HN 0.519 nan 8.310 nan 0.000 0.462 499 A N 2.814 125.659 122.820 0.042 0.000 1.869 499 A HA -0.084 4.235 4.320 -0.002 0.000 0.218 499 A C 2.303 179.933 177.584 0.077 0.000 1.203 499 A CA 1.833 53.905 52.037 0.058 0.000 0.638 499 A CB -1.173 17.864 19.000 0.062 0.000 0.831 499 A HN 0.526 nan 8.150 nan 0.000 0.450 500 L N -0.400 120.875 121.223 0.085 0.000 2.083 500 L HA -0.195 4.144 4.340 -0.002 0.000 0.209 500 L C 2.089 179.004 176.870 0.075 0.000 1.083 500 L CA 2.865 57.776 54.840 0.118 0.000 0.752 500 L CB -0.993 41.140 42.059 0.125 0.000 0.899 500 L HN 0.527 nan 8.230 nan 0.000 0.433 501 D N 0.153 120.567 120.400 0.023 0.000 2.104 501 D HA -0.239 4.400 4.640 -0.002 0.000 0.194 501 D C 2.208 178.513 176.300 0.009 0.000 0.994 501 D CA 1.929 55.921 54.000 -0.014 0.000 0.830 501 D CB 0.131 40.909 40.800 -0.036 0.000 0.959 501 D HN 0.497 nan 8.370 nan 0.000 0.452 502 K N -0.058 120.361 120.400 0.032 0.000 2.002 502 K HA -0.140 4.179 4.320 -0.002 0.000 0.209 502 K C 2.413 179.052 176.600 0.065 0.000 1.048 502 K CA 1.231 57.543 56.287 0.041 0.000 0.930 502 K CB -0.567 31.959 32.500 0.042 0.000 0.714 502 K HN 0.186 nan 8.250 nan 0.000 0.438 503 M N 1.374 121.039 119.600 0.109 0.000 2.103 503 M HA -0.201 4.278 4.480 -0.002 0.000 0.255 503 M C 2.301 178.667 176.300 0.110 0.000 1.074 503 M CA 1.767 57.178 55.300 0.184 0.000 1.090 503 M CB -0.631 32.174 32.600 0.342 0.000 1.325 503 M HN 0.142 nan 8.290 nan 0.000 0.403 504 L N -0.714 120.522 121.223 0.023 0.000 2.217 504 L HA -0.185 4.154 4.340 -0.002 0.000 0.211 504 L C 2.355 179.200 176.870 -0.041 0.000 1.107 504 L CA 0.970 55.760 54.840 -0.082 0.000 0.783 504 L CB -0.522 41.486 42.059 -0.085 0.000 0.919 504 L HN 0.374 nan 8.230 nan 0.000 0.442 505 Q N -0.229 119.568 119.800 -0.005 0.000 2.226 505 Q HA -0.165 4.174 4.340 -0.002 0.000 0.204 505 Q C 1.611 177.624 176.000 0.022 0.000 0.975 505 Q CA 1.014 56.819 55.803 0.003 0.000 0.866 505 Q CB -0.025 28.719 28.738 0.011 0.000 0.915 505 Q HN 0.271 nan 8.270 nan 0.000 0.440 506 N N -0.505 118.220 118.700 0.041 0.000 2.449 506 N HA 0.023 4.762 4.740 -0.002 0.000 0.191 506 N C -1.294 174.260 175.510 0.074 0.000 1.161 506 N CA 0.138 53.229 53.050 0.068 0.000 0.863 506 N CB 0.633 39.180 38.487 0.101 0.000 0.980 506 N HN -0.090 nan 8.380 nan 0.000 0.458 507 V N 0.676 120.610 119.914 0.033 0.000 2.638 507 V HA 0.256 4.375 4.120 -0.002 0.000 0.306 507 V C 0.217 176.322 176.094 0.018 0.000 1.052 507 V CA -0.905 61.414 62.300 0.032 0.000 0.885 507 V CB 2.138 33.924 31.823 -0.061 0.000 0.999 507 V HN -0.066 nan 8.190 nan 0.000 0.424 508 Q N 3.785 123.617 119.800 0.054 0.000 2.962 508 Q HA 0.186 4.525 4.340 -0.002 0.000 0.251 508 Q C -0.045 175.948 176.000 -0.011 0.000 1.380 508 Q CA -0.225 55.595 55.803 0.030 0.000 0.926 508 Q CB 0.039 28.833 28.738 0.093 0.000 1.704 508 Q HN 0.531 nan 8.270 nan 0.000 0.563 509 M N 2.717 122.286 119.600 -0.051 0.000 2.252 509 M HA 0.159 4.638 4.480 -0.002 0.000 0.333 509 M C -1.950 174.294 176.300 -0.093 0.000 1.111 509 M CA -2.133 53.121 55.300 -0.078 0.000 1.140 509 M CB -0.336 32.217 32.600 -0.078 0.000 1.538 509 M HN 0.258 nan 8.290 nan 0.000 0.448 510 P HA 0.308 nan 4.420 nan 0.000 0.278 510 P C -1.032 176.194 177.300 -0.124 0.000 1.266 510 P CA -0.504 62.522 63.100 -0.123 0.000 0.807 510 P CB 0.725 32.343 31.700 -0.137 0.000 1.094 511 S N -0.772 114.839 115.700 -0.149 0.000 2.536 511 S HA 0.527 4.996 4.470 -0.002 0.000 0.298 511 S C -0.546 173.960 174.600 -0.157 0.000 1.083 511 S CA -0.870 57.249 58.200 -0.135 0.000 0.995 511 S CB 1.649 64.760 63.200 -0.148 0.000 1.058 511 S HN 0.409 nan 8.310 nan 0.000 0.488 512 K N 1.578 121.915 120.400 -0.104 0.000 2.240 512 K HA 0.316 4.635 4.320 -0.002 0.000 0.271 512 K C -0.838 175.710 176.600 -0.087 0.000 1.018 512 K CA -0.518 55.714 56.287 -0.091 0.000 0.874 512 K CB 0.682 33.157 32.500 -0.043 0.000 1.098 512 K HN 0.577 nan 8.250 nan 0.000 0.458 513 K N 6.045 126.382 120.400 -0.105 0.000 2.293 513 K HA 0.254 4.573 4.320 -0.002 0.000 0.267 513 K C -1.409 175.175 176.600 -0.026 0.000 1.010 513 K CA -0.533 55.703 56.287 -0.085 0.000 0.875 513 K CB 0.924 33.333 32.500 -0.151 0.000 1.106 513 K HN 0.640 nan 8.250 nan 0.000 0.450 514 L N 5.565 126.785 121.223 -0.005 0.000 2.366 514 L HA 0.342 4.681 4.340 -0.002 0.000 0.266 514 L C -0.722 176.183 176.870 0.057 0.000 1.010 514 L CA -0.070 54.804 54.840 0.056 0.000 0.879 514 L CB 0.729 42.870 42.059 0.136 0.000 1.228 514 L HN 0.790 nan 8.230 nan 0.000 0.439 515 D N 2.998 123.236 120.400 -0.269 0.000 2.831 515 D HA 0.528 5.167 4.640 -0.002 0.000 0.240 515 D C -1.298 174.588 176.300 -0.691 0.000 1.183 515 D CA -0.067 53.664 54.000 -0.450 0.000 1.079 515 D CB 2.470 42.976 40.800 -0.491 0.000 1.262 515 D HN 0.260 nan 8.370 nan 0.000 0.634 516 F N -0.380 119.139 119.950 -0.718 0.000 2.779 516 F HA 0.619 5.145 4.527 -0.002 0.000 0.316 516 F C -1.542 174.253 175.800 -0.008 0.000 1.164 516 F CA -1.093 56.584 58.000 -0.538 0.000 0.924 516 F CB 0.595 38.889 39.000 -1.176 0.000 1.348 516 F HN 0.223 nan 8.300 nan 0.000 0.467 517 I N -0.229 120.610 120.570 0.449 0.000 2.769 517 I HA 0.638 4.807 4.170 -0.002 0.000 0.298 517 I C -1.558 174.817 176.117 0.430 0.000 1.128 517 I CA -1.077 60.451 61.300 0.379 0.000 1.031 517 I CB 2.314 40.523 38.000 0.349 0.000 1.235 517 I HN 0.748 nan 8.210 nan 0.000 0.423 518 I N 4.679 125.439 120.570 0.317 0.000 2.352 518 I HA 0.242 4.411 4.170 -0.002 0.000 0.290 518 I C 0.364 176.623 176.117 0.237 0.000 1.036 518 I CA 0.013 61.472 61.300 0.265 0.000 1.336 518 I CB 1.302 39.415 38.000 0.189 0.000 1.407 518 I HN 0.705 nan 8.210 nan 0.000 0.497 519 L N 6.192 127.601 121.223 0.311 0.000 2.471 519 L HA 0.099 4.438 4.340 -0.002 0.000 0.186 519 L C 1.617 178.574 176.870 0.145 0.000 1.191 519 L CA 0.315 55.283 54.840 0.214 0.000 0.835 519 L CB -0.204 41.962 42.059 0.179 0.000 1.092 519 L HN 0.604 nan 8.230 nan 0.000 0.495 520 N N 0.049 118.862 118.700 0.188 0.000 2.272 520 N HA -0.049 4.690 4.740 -0.002 0.000 0.195 520 N C 0.356 175.923 175.510 0.096 0.000 1.048 520 N CA 1.122 54.238 53.050 0.109 0.000 0.912 520 N CB 0.243 38.783 38.487 0.088 0.000 1.096 520 N HN 0.147 nan 8.380 nan 0.000 0.471 521 E N -0.724 119.533 120.200 0.096 0.000 3.254 521 E HA 0.262 4.611 4.350 -0.002 0.000 0.184 521 E C -1.273 175.356 176.600 0.048 0.000 0.967 521 E CA -0.089 56.351 56.400 0.066 0.000 1.311 521 E CB 0.975 30.699 29.700 0.040 0.000 1.071 521 E HN 0.125 nan 8.360 nan 0.000 0.456 522 T N -0.298 114.306 114.554 0.082 0.000 2.908 522 T HA 0.430 4.779 4.350 -0.002 0.000 0.290 522 T C -0.297 174.365 174.700 -0.063 0.000 1.034 522 T CA -0.882 61.189 62.100 -0.048 0.000 1.010 522 T CB 2.011 70.791 68.868 -0.148 0.000 1.068 522 T HN -0.114 nan 8.240 nan 0.000 0.481 523 K N 1.386 121.634 120.400 -0.253 0.000 2.248 523 K HA 0.480 4.799 4.320 -0.002 0.000 0.281 523 K C -1.287 175.098 176.600 -0.359 0.000 1.054 523 K CA -0.283 55.847 56.287 -0.261 0.000 0.903 523 K CB 0.463 32.684 32.500 -0.466 0.000 1.077 523 K HN 0.428 nan 8.250 nan 0.000 0.474 524 F N 2.324 122.297 119.950 0.039 0.000 2.467 524 F HA 0.322 4.848 4.527 -0.002 0.000 0.336 524 F C -0.357 175.458 175.800 0.024 0.000 1.123 524 F CA -0.840 57.175 58.000 0.025 0.000 0.964 524 F CB 0.923 39.914 39.000 -0.015 0.000 1.136 524 F HN 0.410 nan 8.300 nan 0.000 0.447 525 W N 3.837 125.185 121.300 0.081 0.000 2.313 525 W HA 0.485 5.143 4.660 -0.002 0.000 0.328 525 W C -0.561 176.070 176.519 0.187 0.000 1.197 525 W CA -0.612 56.816 57.345 0.138 0.000 1.235 525 W CB 0.623 30.126 29.460 0.072 0.000 1.158 525 W HN 0.456 nan 8.180 nan 0.000 0.578 526 Y N 0.029 120.621 120.300 0.487 0.000 2.581 526 Y HA 0.622 5.170 4.550 -0.002 0.000 0.345 526 Y C -0.769 175.372 175.900 0.401 0.000 1.036 526 Y CA -1.739 56.669 58.100 0.513 0.000 1.042 526 Y CB 1.146 40.086 38.460 0.799 0.000 1.289 526 Y HN 0.571 nan 8.280 nan 0.000 0.471 527 Q N 2.989 123.107 119.800 0.530 0.000 2.399 527 Q HA 0.729 5.068 4.340 -0.002 0.000 0.276 527 Q C -1.746 174.455 176.000 0.336 0.000 1.098 527 Q CA -1.195 54.796 55.803 0.314 0.000 0.827 527 Q CB 3.125 31.980 28.738 0.194 0.000 1.386 527 Q HN 0.930 nan 8.270 nan 0.000 0.443 528 M N 2.466 122.158 119.600 0.152 0.000 2.267 528 M HA 0.433 4.912 4.480 -0.002 0.000 0.289 528 M C -1.734 174.502 176.300 -0.106 0.000 1.043 528 M CA -0.589 54.708 55.300 -0.005 0.000 0.928 528 M CB 2.119 34.670 32.600 -0.082 0.000 1.613 528 M HN 0.724 nan 8.290 nan 0.000 0.450 529 I N 5.186 125.687 120.570 -0.115 0.000 2.312 529 I HA 0.319 4.488 4.170 -0.002 0.000 0.291 529 I C -0.883 175.093 176.117 -0.236 0.000 1.031 529 I CA 0.061 61.267 61.300 -0.157 0.000 1.293 529 I CB 0.627 38.558 38.000 -0.116 0.000 1.403 529 I HN 0.529 nan 8.210 nan 0.000 0.484 530 L N 8.688 129.724 121.223 -0.311 0.000 2.325 530 L HA 0.566 4.905 4.340 -0.002 0.000 0.278 530 L C -2.317 174.400 176.870 -0.255 0.000 1.023 530 L CA -1.967 52.610 54.840 -0.438 0.000 0.811 530 L CB 1.288 42.892 42.059 -0.759 0.000 1.249 530 L HN 0.300 nan 8.230 nan 0.000 0.431 531 P HA 0.167 nan 4.420 nan 0.000 0.274 531 P C -2.521 174.787 177.300 0.013 0.000 1.231 531 P CA -1.282 61.803 63.100 -0.024 0.000 0.790 531 P CB -0.073 31.684 31.700 0.095 0.000 0.951 532 P HA 0.002 nan 4.420 nan 0.000 0.269 532 P C -0.553 176.751 177.300 0.006 0.000 1.215 532 P CA 0.238 63.281 63.100 -0.094 0.000 0.780 532 P CB -0.173 31.455 31.700 -0.120 0.000 0.898 533 H N -2.269 116.847 119.070 0.077 0.000 2.677 533 H HA -0.214 4.341 4.556 -0.002 0.000 0.321 533 H C -0.113 175.286 175.328 0.117 0.000 1.171 533 H CA 0.064 56.160 56.048 0.079 0.000 1.139 533 H CB -2.487 27.308 29.762 0.055 0.000 1.515 533 H HN 0.326 nan 8.280 nan 0.000 0.423 534 F N 1.867 121.827 119.950 0.017 0.000 2.471 534 F HA 0.260 4.786 4.527 -0.002 0.000 0.353 534 F C 0.429 176.250 175.800 0.036 0.000 1.113 534 F CA -0.311 57.668 58.000 -0.034 0.000 1.262 534 F CB 0.756 39.620 39.000 -0.226 0.000 1.146 534 F HN 0.323 nan 8.300 nan 0.000 0.578 535 D N 5.319 125.269 120.400 -0.751 0.000 2.402 535 D HA 0.104 4.743 4.640 -0.002 0.000 0.252 535 D C 0.282 176.266 176.300 -0.527 0.000 1.294 535 D CA -0.569 53.191 54.000 -0.401 0.000 0.948 535 D CB 1.129 41.842 40.800 -0.144 0.000 1.202 535 D HN 0.687 nan 8.370 nan 0.000 0.561 536 K N 1.159 121.362 120.400 -0.327 0.000 2.585 536 K HA -0.089 4.230 4.320 -0.002 0.000 0.194 536 K C 0.913 177.553 176.600 0.067 0.000 1.037 536 K CA 1.484 57.740 56.287 -0.051 0.000 0.964 536 K CB 0.039 32.639 32.500 0.167 0.000 0.787 536 K HN 0.157 nan 8.250 nan 0.000 0.488 537 S N -0.801 114.893 115.700 -0.011 0.000 2.505 537 S HA 0.170 4.639 4.470 -0.002 0.000 0.216 537 S C 0.408 174.991 174.600 -0.028 0.000 1.018 537 S CA -0.641 57.561 58.200 0.003 0.000 0.911 537 S CB 0.091 63.285 63.200 -0.010 0.000 0.818 537 S HN 0.144 nan 8.310 nan 0.000 0.497 538 K N 1.419 121.774 120.400 -0.075 0.000 2.168 538 K HA 0.330 4.648 4.320 -0.002 0.000 0.258 538 K C -0.791 175.741 176.600 -0.113 0.000 1.010 538 K CA -0.013 56.175 56.287 -0.165 0.000 0.929 538 K CB 0.502 32.799 32.500 -0.338 0.000 0.998 538 K HN 0.111 nan 8.250 nan 0.000 0.479 539 K N 2.433 122.718 120.400 -0.192 0.000 2.389 539 K HA 0.214 4.533 4.320 -0.002 0.000 0.261 539 K C -1.246 175.269 176.600 -0.142 0.000 1.014 539 K CA -0.353 55.893 56.287 -0.070 0.000 0.920 539 K CB 0.630 33.090 32.500 -0.066 0.000 1.149 539 K HN 0.312 nan 8.250 nan 0.000 0.444 540 Y N 3.256 123.556 120.300 -0.001 0.000 2.301 540 Y HA 0.235 4.784 4.550 -0.002 0.000 0.325 540 Y C -1.834 173.991 175.900 -0.124 0.000 1.203 540 Y CA -2.479 55.600 58.100 -0.034 0.000 1.255 540 Y CB 0.375 38.873 38.460 0.063 0.000 1.232 540 Y HN 0.469 nan 8.280 nan 0.000 0.501 541 P HA 0.172 nan 4.420 nan 0.000 0.275 541 P C -1.124 176.000 177.300 -0.294 0.000 1.227 541 P CA -0.209 62.613 63.100 -0.462 0.000 0.781 541 P CB 1.461 32.576 31.700 -0.975 0.000 0.906 542 L N 3.632 124.714 121.223 -0.235 0.000 2.349 542 L HA 0.432 4.771 4.340 -0.002 0.000 0.278 542 L C -0.779 176.226 176.870 0.225 0.000 0.996 542 L CA -0.896 53.950 54.840 0.009 0.000 0.825 542 L CB 1.289 43.371 42.059 0.039 0.000 1.243 542 L HN 0.259 nan 8.230 nan 0.000 0.412 543 L N 6.412 127.803 121.223 0.280 0.000 2.255 543 L HA 0.316 4.655 4.340 -0.002 0.000 0.289 543 L C -0.639 176.454 176.870 0.371 0.000 1.046 543 L CA -0.471 54.610 54.840 0.402 0.000 0.816 543 L CB 1.212 43.472 42.059 0.334 0.000 1.197 543 L HN 0.643 nan 8.230 nan 0.000 0.427 544 L N 5.595 127.083 121.223 0.442 0.000 2.342 544 L HA 0.154 4.493 4.340 -0.002 0.000 0.285 544 L C -0.124 177.000 176.870 0.423 0.000 1.095 544 L CA 0.031 55.131 54.840 0.433 0.000 0.843 544 L CB 0.807 43.173 42.059 0.511 0.000 1.201 544 L HN 0.609 nan 8.230 nan 0.000 0.445 545 D N 4.693 125.320 120.400 0.378 0.000 2.317 545 D HA 0.275 4.914 4.640 -0.002 0.000 0.252 545 D C -0.848 175.565 176.300 0.188 0.000 1.174 545 D CA -0.126 54.043 54.000 0.282 0.000 0.866 545 D CB 1.464 42.477 40.800 0.356 0.000 1.127 545 D HN 0.198 nan 8.370 nan 0.000 0.467 546 V N 5.339 125.281 119.914 0.047 0.000 2.656 546 V HA 0.285 4.404 4.120 -0.002 0.000 0.307 546 V C -0.240 175.952 176.094 0.162 0.000 1.051 546 V CA -0.724 61.660 62.300 0.139 0.000 0.893 546 V CB 1.548 33.448 31.823 0.129 0.000 0.999 546 V HN 0.655 nan 8.190 nan 0.000 0.426 547 Y N 3.306 123.691 120.300 0.142 0.000 3.105 547 Y HA 0.537 5.086 4.550 -0.002 0.000 0.216 547 Y C 1.661 177.732 175.900 0.284 0.000 0.943 547 Y CA 1.237 59.453 58.100 0.193 0.000 1.535 547 Y CB 0.242 38.796 38.460 0.157 0.000 1.475 547 Y HN 0.784 nan 8.280 nan 0.000 0.435 548 A N 0.890 123.942 122.820 0.386 0.000 2.899 548 A HA -0.168 4.151 4.320 -0.002 0.000 0.257 548 A C 0.984 178.533 177.584 -0.058 0.000 1.335 548 A CA 0.904 53.084 52.037 0.238 0.000 0.924 548 A CB -2.540 16.629 19.000 0.280 0.000 1.105 548 A HN 1.008 nan 8.150 nan 0.000 0.765 549 G N -0.196 108.360 108.800 -0.407 0.000 2.614 549 G HA2 0.432 4.391 3.960 -0.002 0.000 0.239 549 G HA3 0.432 4.391 3.960 -0.002 0.000 0.239 549 G C -1.708 172.931 174.900 -0.435 0.000 1.240 549 G CA -0.308 44.134 45.100 -1.098 0.000 0.842 549 G HN 0.447 nan 8.290 nan 0.000 0.584 550 P HA 0.016 nan 4.420 nan 0.000 0.262 550 P C 0.590 177.707 177.300 -0.304 0.000 1.199 550 P CA 0.243 63.031 63.100 -0.521 0.000 0.763 550 P CB 0.640 31.574 31.700 -1.277 0.000 0.790 551 C N 2.461 121.657 119.300 -0.174 0.000 4.507 551 C HA -0.133 4.326 4.460 -0.002 0.000 0.285 551 C C 1.009 176.014 174.990 0.026 0.000 1.335 551 C CA 1.047 59.935 59.018 -0.217 0.000 1.953 551 C CB -2.581 24.872 27.740 -0.478 0.000 1.262 551 C HN 0.798 nan 8.230 nan 0.000 0.776 552 S N 0.103 115.883 115.700 0.133 0.000 2.652 552 S HA 0.629 5.097 4.470 -0.002 0.000 0.270 552 S C -0.612 174.151 174.600 0.272 0.000 1.243 552 S CA 0.079 58.437 58.200 0.263 0.000 0.999 552 S CB 1.734 65.141 63.200 0.344 0.000 0.973 552 S HN 0.888 nan 8.310 nan 0.000 0.544 553 Q N -0.018 119.952 119.800 0.282 0.000 2.309 553 Q HA 0.369 4.708 4.340 -0.002 0.000 0.254 553 Q C -0.804 175.306 176.000 0.184 0.000 0.938 553 Q CA -0.683 55.270 55.803 0.249 0.000 0.789 553 Q CB 1.074 29.988 28.738 0.292 0.000 1.313 553 Q HN 0.623 nan 8.270 nan 0.000 0.438 554 K N 1.330 121.847 120.400 0.195 0.000 2.360 554 K HA 0.323 4.642 4.320 -0.002 0.000 0.196 554 K C -0.221 176.489 176.600 0.184 0.000 1.049 554 K CA 0.410 56.808 56.287 0.184 0.000 1.049 554 K CB 1.419 34.058 32.500 0.233 0.000 0.881 554 K HN 0.523 nan 8.250 nan 0.000 0.542 555 A N 2.973 125.910 122.820 0.196 0.000 2.341 555 A HA 0.373 4.692 4.320 -0.002 0.000 0.326 555 A C -0.574 177.080 177.584 0.117 0.000 1.402 555 A CA -0.494 51.666 52.037 0.204 0.000 0.957 555 A CB -0.045 19.142 19.000 0.310 0.000 1.151 555 A HN 0.241 nan 8.150 nan 0.000 0.533 556 D N 0.091 120.537 120.400 0.077 0.000 2.837 556 D HA 0.467 5.106 4.640 -0.002 0.000 0.294 556 D C 0.324 176.638 176.300 0.023 0.000 1.158 556 D CA 0.305 54.328 54.000 0.037 0.000 1.073 556 D CB 0.345 41.159 40.800 0.022 0.000 1.419 556 D HN 0.157 nan 8.370 nan 0.000 0.584 557 T N -2.141 112.433 114.554 0.034 0.000 3.248 557 T HA 0.408 4.757 4.350 -0.002 0.000 0.271 557 T C 0.267 174.925 174.700 -0.070 0.000 1.005 557 T CA -0.455 61.663 62.100 0.030 0.000 0.902 557 T CB -0.794 68.135 68.868 0.102 0.000 1.102 557 T HN 0.272 nan 8.240 nan 0.000 0.548 558 V N 2.012 121.783 119.914 -0.239 0.000 2.732 558 V HA 0.455 4.574 4.120 -0.002 0.000 0.297 558 V C -0.147 175.894 176.094 -0.088 0.000 1.060 558 V CA -1.015 61.102 62.300 -0.306 0.000 1.038 558 V CB 0.685 32.207 31.823 -0.502 0.000 1.003 558 V HN 0.578 nan 8.190 nan 0.000 0.481 559 F N 4.925 124.771 119.950 -0.172 0.000 2.411 559 F HA 0.634 5.160 4.527 -0.002 0.000 0.352 559 F C 0.265 176.007 175.800 -0.095 0.000 1.123 559 F CA -0.468 57.461 58.000 -0.119 0.000 1.044 559 F CB 0.588 39.525 39.000 -0.104 0.000 1.135 559 F HN 0.388 nan 8.300 nan 0.000 0.461 560 R N 7.279 127.299 120.500 -0.799 0.000 2.513 560 R HA 0.466 4.805 4.340 -0.002 0.000 0.301 560 R C -1.548 174.351 176.300 -0.669 0.000 0.968 560 R CA -0.994 54.788 56.100 -0.531 0.000 0.872 560 R CB 2.188 32.329 30.300 -0.265 0.000 1.177 560 R HN 0.702 nan 8.270 nan 0.000 0.444 561 L N 4.717 125.705 121.223 -0.392 0.000 2.272 561 L HA 0.296 4.635 4.340 -0.002 0.000 0.284 561 L C -0.228 176.652 176.870 0.016 0.000 1.045 561 L CA -0.404 54.284 54.840 -0.253 0.000 0.842 561 L CB 0.171 42.194 42.059 -0.060 0.000 1.224 561 L HN 0.771 nan 8.230 nan 0.000 0.430 562 N N 0.667 119.299 118.700 -0.113 0.000 3.600 562 N HA 0.156 4.895 4.740 -0.002 0.000 0.348 562 N C 0.134 175.271 175.510 -0.622 0.000 1.649 562 N CA -0.781 52.049 53.050 -0.368 0.000 0.710 562 N CB 0.101 38.472 38.487 -0.194 0.000 2.380 562 N HN 0.257 nan 8.380 nan 0.000 0.631 563 W N 0.340 121.056 121.300 -0.974 0.000 2.443 563 W HA 0.400 5.059 4.660 -0.002 0.000 0.296 563 W C 2.059 178.547 176.519 -0.052 0.000 1.202 563 W CA 2.333 59.380 57.345 -0.497 0.000 1.312 563 W CB -0.917 28.325 29.460 -0.362 0.000 1.120 563 W HN 0.679 nan 8.180 nan 0.000 0.536 564 A N -0.261 122.521 122.820 -0.065 0.000 2.024 564 A HA -0.201 4.118 4.320 -0.002 0.000 0.220 564 A C 1.898 179.384 177.584 -0.163 0.000 1.164 564 A CA 2.440 54.386 52.037 -0.151 0.000 0.643 564 A CB -1.211 17.786 19.000 -0.005 0.000 0.806 564 A HN 0.297 nan 8.150 nan 0.000 0.451 565 T N -1.294 113.189 114.554 -0.119 0.000 2.708 565 T HA -0.187 4.162 4.350 -0.002 0.000 0.266 565 T C 1.825 176.573 174.700 0.079 0.000 1.037 565 T CA 1.692 63.718 62.100 -0.123 0.000 1.146 565 T CB -0.486 68.189 68.868 -0.322 0.000 0.865 565 T HN 0.716 nan 8.240 nan 0.000 0.435 566 Y N 2.053 122.457 120.300 0.173 0.000 2.200 566 Y HA 0.025 4.574 4.550 -0.002 0.000 0.290 566 Y C 1.906 177.809 175.900 0.006 0.000 1.137 566 Y CA 0.898 59.121 58.100 0.205 0.000 1.163 566 Y CB -0.725 37.850 38.460 0.192 0.000 0.988 566 Y HN 0.108 nan 8.280 nan 0.000 0.518 567 L N 0.256 121.049 121.223 -0.716 0.000 2.131 567 L HA -0.168 4.171 4.340 -0.002 0.000 0.210 567 L C 2.749 179.385 176.870 -0.389 0.000 1.092 567 L CA 1.159 55.543 54.840 -0.759 0.000 0.759 567 L CB -0.822 40.830 42.059 -0.680 0.000 0.903 567 L HN 0.430 nan 8.230 nan 0.000 0.435 568 A N -1.273 121.396 122.820 -0.252 0.000 1.878 568 A HA -0.122 4.197 4.320 -0.002 0.000 0.213 568 A C 2.469 180.006 177.584 -0.078 0.000 1.192 568 A CA 1.362 53.315 52.037 -0.141 0.000 0.619 568 A CB -0.497 18.421 19.000 -0.138 0.000 0.837 568 A HN 0.285 nan 8.150 nan 0.000 0.446 569 S N -0.570 115.100 115.700 -0.050 0.000 2.363 569 S HA -0.154 4.315 4.470 -0.002 0.000 0.218 569 S C 2.082 176.707 174.600 0.042 0.000 1.035 569 S CA 2.477 60.699 58.200 0.036 0.000 1.043 569 S CB -0.626 62.669 63.200 0.157 0.000 0.986 569 S HN 0.572 nan 8.310 nan 0.000 0.423 570 T N 1.664 116.225 114.554 0.012 0.000 2.851 570 T HA 0.100 4.449 4.350 -0.002 0.000 0.262 570 T C 1.406 176.093 174.700 -0.023 0.000 1.043 570 T CA 0.948 63.072 62.100 0.040 0.000 1.140 570 T CB -0.192 68.774 68.868 0.163 0.000 0.872 570 T HN 0.398 nan 8.240 nan 0.000 0.446 571 E N 1.261 121.372 120.200 -0.149 0.000 2.474 571 E HA 0.126 4.475 4.350 -0.002 0.000 0.195 571 E C 0.017 176.605 176.600 -0.021 0.000 1.039 571 E CA -0.103 56.245 56.400 -0.088 0.000 0.881 571 E CB -0.127 29.479 29.700 -0.158 0.000 0.970 571 E HN 0.420 nan 8.360 nan 0.000 0.486 572 N N 0.986 119.690 118.700 0.007 0.000 2.714 572 N HA -0.222 4.516 4.740 -0.002 0.000 0.252 572 N C -0.378 175.213 175.510 0.135 0.000 1.014 572 N CA 0.721 53.842 53.050 0.118 0.000 0.735 572 N CB -1.862 36.733 38.487 0.179 0.000 0.924 572 N HN 0.294 nan 8.380 nan 0.000 0.540 573 I N 0.731 121.311 120.570 0.017 0.000 2.437 573 I HA 0.336 4.505 4.170 -0.002 0.000 0.298 573 I C 1.035 177.133 176.117 -0.031 0.000 0.984 573 I CA -0.715 60.582 61.300 -0.004 0.000 1.214 573 I CB 1.245 39.238 38.000 -0.012 0.000 1.365 573 I HN -0.012 nan 8.210 nan 0.000 0.469 574 I N 6.100 126.656 120.570 -0.024 0.000 2.371 574 I HA 0.176 4.345 4.170 -0.002 0.000 0.290 574 I C -0.481 175.615 176.117 -0.035 0.000 1.028 574 I CA -0.549 60.704 61.300 -0.079 0.000 1.345 574 I CB 0.996 38.943 38.000 -0.087 0.000 1.407 574 I HN 0.176 nan 8.210 nan 0.000 0.501 575 V N 6.828 126.714 119.914 -0.047 0.000 2.294 575 V HA 0.473 4.592 4.120 -0.002 0.000 0.272 575 V C 0.544 176.663 176.094 0.042 0.000 1.027 575 V CA -0.462 61.858 62.300 0.034 0.000 0.823 575 V CB 0.810 32.651 31.823 0.029 0.000 1.030 575 V HN 0.831 nan 8.190 nan 0.000 0.457 576 A N 4.123 126.984 122.820 0.068 0.000 2.303 576 A HA 0.905 5.224 4.320 -0.002 0.000 0.317 576 A C 0.120 177.876 177.584 0.287 0.000 1.149 576 A CA -0.364 51.721 52.037 0.080 0.000 0.822 576 A CB 1.152 20.022 19.000 -0.215 0.000 1.131 576 A HN 0.684 nan 8.150 nan 0.000 0.493 577 S N -0.189 115.738 115.700 0.378 0.000 2.569 577 S HA 0.754 5.223 4.470 -0.002 0.000 0.280 577 S C -1.407 173.565 174.600 0.619 0.000 1.111 577 S CA -0.327 58.141 58.200 0.445 0.000 0.887 577 S CB 1.373 64.772 63.200 0.332 0.000 1.095 577 S HN 0.699 nan 8.310 nan 0.000 0.476 578 F N 1.485 121.668 119.950 0.389 0.000 2.556 578 F HA 0.501 5.027 4.527 -0.002 0.000 0.314 578 F C -1.465 174.544 175.800 0.348 0.000 1.106 578 F CA -0.755 57.486 58.000 0.402 0.000 0.911 578 F CB 1.627 40.808 39.000 0.301 0.000 1.190 578 F HN 0.399 nan 8.300 nan 0.000 0.448 579 D N 4.138 124.390 120.400 -0.248 0.000 2.485 579 D HA 0.375 5.013 4.640 -0.002 0.000 0.229 579 D C 0.336 176.484 176.300 -0.253 0.000 1.101 579 D CA 0.142 54.091 54.000 -0.084 0.000 0.906 579 D CB 1.264 42.118 40.800 0.090 0.000 1.019 579 D HN 0.739 nan 8.370 nan 0.000 0.516 580 G N 0.907 109.677 108.800 -0.051 0.000 2.641 580 G HA2 0.293 4.251 3.960 -0.002 0.000 0.239 580 G HA3 0.293 4.251 3.960 -0.002 0.000 0.239 580 G C 0.111 175.194 174.900 0.304 0.000 1.402 580 G CA -0.749 44.428 45.100 0.128 0.000 1.046 580 G HN 0.276 nan 8.290 nan 0.000 0.565 581 R N -0.613 120.046 120.500 0.264 0.000 2.583 581 R HA 0.323 4.662 4.340 -0.002 0.000 0.274 581 R C 1.340 177.772 176.300 0.221 0.000 0.998 581 R CA 1.590 57.861 56.100 0.285 0.000 1.081 581 R CB 0.290 30.720 30.300 0.217 0.000 0.940 581 R HN 1.079 nan 8.270 nan 0.000 0.413 582 G N 1.481 110.383 108.800 0.170 0.000 2.258 582 G HA2 -0.330 3.629 3.960 -0.002 0.000 0.233 582 G HA3 -0.330 3.629 3.960 -0.002 0.000 0.233 582 G C 0.062 174.989 174.900 0.045 0.000 1.006 582 G CA 0.139 45.300 45.100 0.102 0.000 0.620 582 G HN 0.686 nan 8.290 nan 0.000 0.511 583 S N 0.691 116.444 115.700 0.087 0.000 2.573 583 S HA 0.543 5.012 4.470 -0.002 0.000 0.277 583 S C 1.002 175.586 174.600 -0.028 0.000 1.346 583 S CA 0.320 58.561 58.200 0.068 0.000 1.034 583 S CB 1.669 64.946 63.200 0.127 0.000 0.879 583 S HN 1.583 nan 8.310 nan 0.000 0.528 584 G N -0.546 108.201 108.800 -0.089 0.000 2.568 584 G HA2 0.485 4.444 3.960 -0.002 0.000 0.293 584 G HA3 0.485 4.444 3.960 -0.002 0.000 0.293 584 G C -0.792 173.998 174.900 -0.183 0.000 1.347 584 G CA -1.030 43.860 45.100 -0.350 0.000 1.039 584 G HN 0.862 nan 8.290 nan 0.000 0.523 585 Y N -2.348 117.914 120.300 -0.065 0.000 4.798 585 Y HA -0.213 4.336 4.550 -0.002 0.000 0.237 585 Y C 1.410 177.281 175.900 -0.049 0.000 1.017 585 Y CA 1.156 59.229 58.100 -0.044 0.000 2.010 585 Y CB -2.051 36.404 38.460 -0.009 0.000 1.582 585 Y HN 0.504 nan 8.280 nan 0.000 0.621 586 Q N 0.040 119.823 119.800 -0.029 0.000 2.084 586 Q HA 0.496 4.835 4.340 -0.002 0.000 0.230 586 Q C 0.974 176.798 176.000 -0.293 0.000 0.806 586 Q CA 0.174 55.952 55.803 -0.042 0.000 1.083 586 Q CB 1.427 30.137 28.738 -0.047 0.000 1.208 586 Q HN 0.555 nan 8.270 nan 0.000 0.462 587 G N 0.994 109.513 108.800 -0.469 0.000 2.787 587 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.685 587 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.685 587 G C -0.232 174.263 174.900 -0.675 0.000 1.437 587 G CA -0.378 44.195 45.100 -0.879 0.000 0.872 587 G HN 0.222 nan 8.290 nan 0.000 0.566 588 D N 0.193 120.172 120.400 -0.701 0.000 2.218 588 D HA -0.074 4.565 4.640 -0.002 0.000 0.204 588 D C 2.228 178.267 176.300 -0.435 0.000 0.976 588 D CA 1.503 55.072 54.000 -0.719 0.000 0.853 588 D CB -0.007 40.358 40.800 -0.724 0.000 0.939 588 D HN 0.577 nan 8.370 nan 0.000 0.481 589 K N 0.370 120.557 120.400 -0.354 0.000 2.152 589 K HA -0.077 4.242 4.320 -0.002 0.000 0.206 589 K C 1.790 178.314 176.600 -0.128 0.000 1.048 589 K CA 0.889 57.061 56.287 -0.191 0.000 0.933 589 K CB -0.123 32.279 32.500 -0.163 0.000 0.721 589 K HN 0.154 nan 8.250 nan 0.000 0.447 590 I N -0.836 119.628 120.570 -0.175 0.000 2.512 590 I HA -0.053 4.116 4.170 -0.002 0.000 0.247 590 I C 2.370 178.460 176.117 -0.045 0.000 1.094 590 I CA 0.432 61.691 61.300 -0.068 0.000 1.427 590 I CB -0.125 37.816 38.000 -0.097 0.000 1.149 590 I HN 0.165 nan 8.210 nan 0.000 0.438 591 M N 0.258 119.753 119.600 -0.175 0.000 2.065 591 M HA -0.255 4.224 4.480 -0.002 0.000 0.259 591 M C 1.966 178.278 176.300 0.020 0.000 1.069 591 M CA 1.892 57.107 55.300 -0.142 0.000 1.110 591 M CB -0.317 32.078 32.600 -0.342 0.000 1.328 591 M HN 0.282 nan 8.290 nan 0.000 0.405 592 H N -0.332 118.641 119.070 -0.162 0.000 2.553 592 H HA 0.182 4.737 4.556 -0.002 0.000 0.269 592 H C 1.709 177.066 175.328 0.048 0.000 1.011 592 H CA 0.749 56.725 56.048 -0.120 0.000 1.150 592 H CB -0.629 28.981 29.762 -0.253 0.000 1.339 592 H HN 0.449 nan 8.280 nan 0.000 0.604 593 A N 0.344 123.281 122.820 0.195 0.000 2.015 593 A HA -0.084 4.234 4.320 -0.002 0.000 0.219 593 A C 2.116 179.922 177.584 0.370 0.000 1.163 593 A CA 0.814 52.999 52.037 0.247 0.000 0.646 593 A CB -0.253 18.863 19.000 0.194 0.000 0.806 593 A HN 0.256 nan 8.150 nan 0.000 0.448 594 I N -0.099 120.645 120.570 0.290 0.000 3.419 594 I HA 0.040 4.209 4.170 -0.002 0.000 0.286 594 I C 0.702 176.892 176.117 0.121 0.000 1.268 594 I CA -0.496 60.924 61.300 0.199 0.000 1.414 594 I CB -0.892 37.197 38.000 0.149 0.000 1.074 594 I HN 0.353 nan 8.210 nan 0.000 0.457 595 N N 1.715 120.544 118.700 0.215 0.000 2.292 595 N HA -0.139 4.600 4.740 -0.002 0.000 0.258 595 N C 0.334 175.871 175.510 0.045 0.000 1.261 595 N CA 0.512 53.687 53.050 0.209 0.000 0.845 595 N CB 0.111 38.707 38.487 0.181 0.000 1.064 595 N HN 0.141 nan 8.380 nan 0.000 0.471 596 R N 0.945 121.450 120.500 0.008 0.000 3.641 596 R HA -0.218 4.121 4.340 -0.002 0.000 0.286 596 R C -0.312 175.890 176.300 -0.164 0.000 1.153 596 R CA 0.727 56.792 56.100 -0.058 0.000 0.775 596 R CB -1.171 29.113 30.300 -0.026 0.000 1.215 596 R HN 0.670 nan 8.270 nan 0.000 0.474 597 R N 0.086 120.469 120.500 -0.196 0.000 2.442 597 R HA 0.141 4.480 4.340 -0.002 0.000 0.312 597 R C -0.359 175.855 176.300 -0.142 0.000 0.869 597 R CA -0.232 55.604 56.100 -0.441 0.000 1.043 597 R CB 0.388 30.428 30.300 -0.433 0.000 1.433 597 R HN 0.041 nan 8.270 nan 0.000 0.634 598 L N -0.449 120.797 121.223 0.038 0.000 2.473 598 L HA 0.205 4.544 4.340 -0.002 0.000 0.268 598 L C 1.525 178.653 176.870 0.429 0.000 1.215 598 L CA 1.133 56.056 54.840 0.137 0.000 0.823 598 L CB 0.430 42.389 42.059 -0.167 0.000 1.099 598 L HN 0.532 nan 8.230 nan 0.000 0.483 599 G N 0.096 109.189 108.800 0.489 0.000 2.168 599 G HA2 -0.319 3.640 3.960 -0.002 0.000 0.263 599 G HA3 -0.319 3.640 3.960 -0.002 0.000 0.263 599 G C 0.582 175.600 174.900 0.196 0.000 0.977 599 G CA 0.752 46.098 45.100 0.410 0.000 0.659 599 G HN 0.841 nan 8.290 nan 0.000 0.533 600 T N -3.199 111.425 114.554 0.117 0.000 3.610 600 T HA 0.450 4.799 4.350 -0.002 0.000 0.209 600 T C 1.730 176.458 174.700 0.047 0.000 0.889 600 T CA 1.032 63.099 62.100 -0.055 0.000 1.469 600 T CB -0.109 68.512 68.868 -0.412 0.000 1.557 600 T HN 0.055 nan 8.240 nan 0.000 0.431 601 F N 3.154 123.153 119.950 0.081 0.000 2.206 601 F HA 0.179 4.705 4.527 -0.002 0.000 0.298 601 F C 2.769 178.621 175.800 0.088 0.000 1.090 601 F CA 0.768 58.808 58.000 0.067 0.000 1.323 601 F CB -0.656 38.382 39.000 0.063 0.000 1.028 601 F HN 0.481 nan 8.300 nan 0.000 0.492 602 E N 0.511 120.894 120.200 0.306 0.000 2.268 602 E HA -0.103 4.246 4.350 -0.002 0.000 0.195 602 E C 1.958 178.693 176.600 0.225 0.000 0.995 602 E CA 1.171 57.731 56.400 0.267 0.000 0.836 602 E CB -0.719 29.150 29.700 0.282 0.000 0.763 602 E HN 0.285 nan 8.360 nan 0.000 0.491 603 V N 1.440 121.462 119.914 0.180 0.000 2.331 603 V HA -0.154 3.965 4.120 -0.002 0.000 0.242 603 V C 2.301 178.440 176.094 0.076 0.000 1.034 603 V CA 1.795 64.150 62.300 0.093 0.000 1.027 603 V CB -0.522 31.315 31.823 0.023 0.000 0.667 603 V HN 0.168 nan 8.190 nan 0.000 0.457 604 E N 0.239 120.502 120.200 0.105 0.000 2.118 604 E HA -0.266 4.083 4.350 -0.002 0.000 0.195 604 E C 1.889 178.507 176.600 0.029 0.000 0.992 604 E CA 1.637 58.084 56.400 0.078 0.000 0.804 604 E CB -0.154 29.628 29.700 0.136 0.000 0.741 604 E HN 0.569 nan 8.360 nan 0.000 0.458 605 D N 0.027 120.460 120.400 0.054 0.000 2.178 605 D HA -0.135 4.504 4.640 -0.002 0.000 0.202 605 D C 1.955 178.201 176.300 -0.090 0.000 0.974 605 D CA 0.773 54.770 54.000 -0.004 0.000 0.841 605 D CB -0.058 40.809 40.800 0.113 0.000 0.953 605 D HN 0.097 nan 8.370 nan 0.000 0.478 606 Q N 0.008 119.827 119.800 0.033 0.000 2.123 606 Q HA -0.011 4.328 4.340 -0.002 0.000 0.199 606 Q C 2.541 178.545 176.000 0.006 0.000 0.966 606 Q CA 0.397 56.217 55.803 0.027 0.000 0.845 606 Q CB -0.145 28.668 28.738 0.125 0.000 0.907 606 Q HN 0.400 nan 8.270 nan 0.000 0.439 607 I N 1.008 121.609 120.570 0.051 0.000 2.099 607 I HA -0.289 3.880 4.170 -0.002 0.000 0.239 607 I C 2.413 178.481 176.117 -0.082 0.000 1.066 607 I CA 1.177 62.551 61.300 0.123 0.000 1.324 607 I CB -0.319 37.739 38.000 0.098 0.000 1.037 607 I HN 0.114 nan 8.210 nan 0.000 0.401 608 E N 0.936 121.033 120.200 -0.171 0.000 2.055 608 E HA -0.340 4.009 4.350 -0.002 0.000 0.209 608 E C 2.256 178.552 176.600 -0.506 0.000 1.036 608 E CA 1.995 58.222 56.400 -0.288 0.000 0.849 608 E CB -0.681 28.848 29.700 -0.285 0.000 0.767 608 E HN 0.510 nan 8.360 nan 0.000 0.461 609 A N 1.016 123.341 122.820 -0.825 0.000 1.884 609 A HA -0.258 4.061 4.320 -0.002 0.000 0.219 609 A C 2.443 179.310 177.584 -1.196 0.000 1.197 609 A CA 3.336 54.573 52.037 -1.333 0.000 0.637 609 A CB -0.967 17.013 19.000 -1.700 0.000 0.827 609 A HN 0.359 nan 8.150 nan 0.000 0.450 610 A N -1.195 121.279 122.820 -0.577 0.000 1.898 610 A HA -0.132 4.186 4.320 -0.002 0.000 0.216 610 A C 2.256 179.660 177.584 -0.300 0.000 1.181 610 A CA 1.532 53.402 52.037 -0.278 0.000 0.620 610 A CB -0.499 18.414 19.000 -0.146 0.000 0.819 610 A HN 0.525 nan 8.150 nan 0.000 0.442 611 R N -0.735 119.580 120.500 -0.308 0.000 2.091 611 R HA -0.168 4.171 4.340 -0.002 0.000 0.238 611 R C 2.402 178.560 176.300 -0.238 0.000 1.136 611 R CA 1.673 57.629 56.100 -0.240 0.000 0.959 611 R CB -0.189 29.995 30.300 -0.192 0.000 0.856 611 R HN 0.592 nan 8.270 nan 0.000 0.437 612 Q N -0.406 119.188 119.800 -0.343 0.000 2.016 612 Q HA -0.147 4.192 4.340 -0.002 0.000 0.200 612 Q C 2.024 177.920 176.000 -0.173 0.000 0.978 612 Q CA 1.259 56.890 55.803 -0.287 0.000 0.833 612 Q CB -0.371 28.134 28.738 -0.390 0.000 0.895 612 Q HN 0.293 nan 8.270 nan 0.000 0.427 613 F N 1.419 121.218 119.950 -0.252 0.000 2.236 613 F HA -0.146 4.380 4.527 -0.002 0.000 0.302 613 F C 2.540 178.176 175.800 -0.274 0.000 1.073 613 F CA 0.659 58.502 58.000 -0.263 0.000 1.336 613 F CB -0.939 37.934 39.000 -0.212 0.000 1.040 613 F HN -0.024 nan 8.300 nan 0.000 0.507 614 S N -0.300 115.366 115.700 -0.057 0.000 2.355 614 S HA -0.170 4.299 4.470 -0.002 0.000 0.222 614 S C 1.988 176.498 174.600 -0.149 0.000 1.031 614 S CA 1.134 59.263 58.200 -0.117 0.000 0.993 614 S CB -0.145 62.976 63.200 -0.132 0.000 0.859 614 S HN 0.346 nan 8.310 nan 0.000 0.453 615 K N 0.549 120.864 120.400 -0.141 0.000 2.211 615 K HA 0.057 4.376 4.320 -0.002 0.000 0.203 615 K C 0.320 176.816 176.600 -0.174 0.000 1.050 615 K CA 0.595 56.802 56.287 -0.133 0.000 0.945 615 K CB -0.165 32.273 32.500 -0.105 0.000 0.732 615 K HN 0.384 nan 8.250 nan 0.000 0.451 616 M N 0.799 120.241 119.600 -0.263 0.000 2.268 616 M HA -0.006 4.473 4.480 -0.002 0.000 0.349 616 M C 1.332 177.274 176.300 -0.597 0.000 1.485 616 M CA 0.016 55.034 55.300 -0.470 0.000 1.094 616 M CB 0.946 33.089 32.600 -0.762 0.000 1.843 616 M HN 0.204 nan 8.290 nan 0.000 0.460 617 G N 3.080 111.676 108.800 -0.341 0.000 2.535 617 G HA2 -0.172 3.787 3.960 -0.002 0.000 0.218 617 G HA3 -0.172 3.787 3.960 -0.002 0.000 0.218 617 G C 0.797 175.645 174.900 -0.087 0.000 1.122 617 G CA 0.373 45.375 45.100 -0.164 0.000 0.769 617 G HN 0.844 nan 8.290 nan 0.000 0.549 618 F N -0.640 119.362 119.950 0.087 0.000 2.797 618 F HA 0.553 5.079 4.527 -0.002 0.000 0.302 618 F C 0.140 176.046 175.800 0.176 0.000 1.130 618 F CA -1.236 56.855 58.000 0.152 0.000 1.387 618 F CB -0.207 38.954 39.000 0.268 0.000 1.107 618 F HN -0.152 nan 8.300 nan 0.000 0.577 619 V N 1.963 121.876 119.914 -0.002 0.000 2.384 619 V HA 0.168 4.287 4.120 -0.002 0.000 0.287 619 V C -0.732 175.344 176.094 -0.029 0.000 1.020 619 V CA -0.889 61.426 62.300 0.025 0.000 0.850 619 V CB 1.322 33.094 31.823 -0.083 0.000 0.987 619 V HN 0.082 nan 8.190 nan 0.000 0.436 620 D N 3.792 124.178 120.400 -0.023 0.000 2.342 620 D HA 0.014 4.653 4.640 -0.002 0.000 0.260 620 D C 1.232 177.486 176.300 -0.077 0.000 1.278 620 D CA 0.051 54.011 54.000 -0.067 0.000 0.910 620 D CB 0.442 41.184 40.800 -0.096 0.000 1.079 620 D HN 0.745 nan 8.370 nan 0.000 0.496 621 N N 2.391 121.047 118.700 -0.073 0.000 2.521 621 N HA -0.068 4.671 4.740 -0.002 0.000 0.188 621 N C 0.647 176.119 175.510 -0.063 0.000 1.146 621 N CA 0.158 53.160 53.050 -0.080 0.000 0.893 621 N CB 0.207 38.641 38.487 -0.088 0.000 0.975 621 N HN 0.191 nan 8.380 nan 0.000 0.451 622 K N -0.008 120.367 120.400 -0.042 0.000 2.374 622 K HA 0.202 4.521 4.320 -0.002 0.000 0.196 622 K C 0.068 176.689 176.600 0.036 0.000 1.023 622 K CA 0.034 56.316 56.287 -0.008 0.000 1.103 622 K CB 0.520 33.017 32.500 -0.005 0.000 0.848 622 K HN 0.145 nan 8.250 nan 0.000 0.528 623 R N 1.212 121.716 120.500 0.008 0.000 2.674 623 R HA 0.304 4.643 4.340 -0.002 0.000 0.270 623 R C -1.140 175.187 176.300 0.045 0.000 1.492 623 R CA -0.198 55.937 56.100 0.057 0.000 1.624 623 R CB 0.479 30.653 30.300 -0.209 0.000 1.307 623 R HN -0.000 nan 8.270 nan 0.000 0.683 624 I N 0.962 121.645 120.570 0.189 0.000 2.378 624 I HA 0.525 4.694 4.170 -0.002 0.000 0.291 624 I C 0.099 176.488 176.117 0.454 0.000 0.992 624 I CA -0.588 60.837 61.300 0.210 0.000 1.154 624 I CB 1.963 39.899 38.000 -0.107 0.000 1.315 624 I HN 0.193 nan 8.210 nan 0.000 0.448 625 A N 6.890 130.081 122.820 0.619 0.000 2.384 625 A HA 0.903 5.222 4.320 -0.002 0.000 0.312 625 A C -1.041 176.907 177.584 0.606 0.000 1.113 625 A CA -0.638 51.736 52.037 0.562 0.000 0.779 625 A CB 1.614 20.820 19.000 0.343 0.000 1.307 625 A HN 0.755 nan 8.150 nan 0.000 0.436 626 I N 1.364 122.236 120.570 0.503 0.000 2.689 626 I HA 0.821 4.990 4.170 -0.002 0.000 0.299 626 I C -1.518 174.880 176.117 0.470 0.000 1.059 626 I CA -0.676 60.862 61.300 0.398 0.000 1.055 626 I CB 1.628 39.645 38.000 0.029 0.000 1.243 626 I HN 0.910 nan 8.210 nan 0.000 0.425 627 W N 6.591 128.043 121.300 0.253 0.000 3.074 627 W HA 0.818 5.477 4.660 -0.002 0.000 0.332 627 W C -1.647 175.039 176.519 0.278 0.000 1.253 627 W CA -0.988 56.514 57.345 0.260 0.000 1.180 627 W CB 0.934 30.600 29.460 0.343 0.000 1.445 627 W HN 0.867 nan 8.180 nan 0.000 0.573 628 G N 0.732 109.458 108.800 -0.124 0.000 2.556 628 G HA2 0.389 4.348 3.960 -0.002 0.000 0.294 628 G HA3 0.389 4.348 3.960 -0.002 0.000 0.294 628 G C -2.612 172.247 174.900 -0.068 0.000 1.516 628 G CA -0.786 44.073 45.100 -0.401 0.000 0.824 628 G HN 0.612 nan 8.290 nan 0.000 0.535 629 W N 1.287 122.467 121.300 -0.200 0.000 2.578 629 W HA 0.635 5.294 4.660 -0.002 0.000 0.346 629 W C 0.966 177.529 176.519 0.074 0.000 1.075 629 W CA 0.656 57.990 57.345 -0.017 0.000 1.233 629 W CB 1.846 31.317 29.460 0.019 0.000 1.358 629 W HN 1.057 nan 8.180 nan 0.000 0.574 630 S N 1.340 117.297 115.700 0.427 0.000 3.949 630 S HA -0.419 4.050 4.470 -0.002 0.000 0.626 630 S C 1.118 175.792 174.600 0.123 0.000 2.168 630 S CA 1.559 60.006 58.200 0.411 0.000 4.124 630 S CB -1.763 61.835 63.200 0.664 0.000 0.220 630 S HN 0.696 nan 8.310 nan 0.000 0.750 631 Y N 2.185 122.413 120.300 -0.121 0.000 2.096 631 Y HA -0.199 4.350 4.550 -0.002 0.000 0.278 631 Y C 2.397 178.179 175.900 -0.197 0.000 1.192 631 Y CA 2.916 60.843 58.100 -0.289 0.000 1.143 631 Y CB -1.127 36.935 38.460 -0.663 0.000 0.963 631 Y HN 0.592 nan 8.280 nan 0.000 0.505 632 G N -1.011 107.739 108.800 -0.084 0.000 2.513 632 G HA2 -0.332 3.627 3.960 -0.002 0.000 0.219 632 G HA3 -0.332 3.627 3.960 -0.002 0.000 0.219 632 G C 1.951 176.867 174.900 0.027 0.000 1.160 632 G CA 1.013 46.131 45.100 0.030 0.000 0.767 632 G HN 0.620 nan 8.290 nan 0.000 0.571 633 G N -0.260 108.562 108.800 0.036 0.000 2.442 633 G HA2 -0.266 3.692 3.960 -0.002 0.000 0.219 633 G HA3 -0.266 3.692 3.960 -0.002 0.000 0.219 633 G C 1.631 176.540 174.900 0.014 0.000 1.141 633 G CA 1.243 46.359 45.100 0.026 0.000 0.763 633 G HN 0.521 nan 8.290 nan 0.000 0.554 634 Y N 0.998 121.187 120.300 -0.184 0.000 2.133 634 Y HA -0.067 4.482 4.550 -0.002 0.000 0.287 634 Y C 2.763 178.549 175.900 -0.189 0.000 1.134 634 Y CA 1.677 59.622 58.100 -0.259 0.000 1.133 634 Y CB -0.364 37.803 38.460 -0.489 0.000 0.987 634 Y HN 0.019 nan 8.280 nan 0.000 0.502 635 V N -0.023 119.828 119.914 -0.104 0.000 2.343 635 V HA -0.326 3.793 4.120 -0.002 0.000 0.247 635 V C 2.334 178.326 176.094 -0.171 0.000 1.051 635 V CA 2.446 64.668 62.300 -0.130 0.000 1.036 635 V CB -1.112 30.777 31.823 0.110 0.000 0.654 635 V HN 0.521 nan 8.190 nan 0.000 0.451 636 T N 0.049 114.542 114.554 -0.101 0.000 2.665 636 T HA -0.212 4.136 4.350 -0.002 0.000 0.268 636 T C 2.113 176.693 174.700 -0.200 0.000 1.035 636 T CA 2.093 64.122 62.100 -0.117 0.000 1.151 636 T CB -0.300 68.576 68.868 0.014 0.000 0.862 636 T HN 0.567 nan 8.240 nan 0.000 0.438 637 S N 1.162 116.767 115.700 -0.159 0.000 2.368 637 S HA -0.045 4.424 4.470 -0.002 0.000 0.225 637 S C 2.109 176.563 174.600 -0.244 0.000 1.030 637 S CA 0.987 59.084 58.200 -0.172 0.000 0.999 637 S CB -0.297 62.868 63.200 -0.058 0.000 0.844 637 S HN 0.318 nan 8.310 nan 0.000 0.459 638 M N 0.969 120.360 119.600 -0.349 0.000 2.175 638 M HA -0.009 4.470 4.480 -0.002 0.000 0.264 638 M C 2.211 178.331 176.300 -0.300 0.000 1.063 638 M CA 0.980 56.069 55.300 -0.352 0.000 1.119 638 M CB -1.359 30.941 32.600 -0.499 0.000 1.377 638 M HN 0.187 nan 8.290 nan 0.000 0.415 639 V N 0.662 120.380 119.914 -0.325 0.000 2.295 639 V HA -0.249 3.870 4.120 -0.002 0.000 0.246 639 V C 2.521 178.346 176.094 -0.449 0.000 1.049 639 V CA 1.422 63.503 62.300 -0.366 0.000 1.024 639 V CB -0.711 30.812 31.823 -0.500 0.000 0.648 639 V HN 0.400 nan 8.190 nan 0.000 0.447 640 L N 0.499 121.391 121.223 -0.552 0.000 2.127 640 L HA -0.101 4.237 4.340 -0.002 0.000 0.211 640 L C 2.347 178.634 176.870 -0.972 0.000 1.089 640 L CA 1.638 56.050 54.840 -0.713 0.000 0.757 640 L CB -0.855 40.712 42.059 -0.820 0.000 0.899 640 L HN 0.507 nan 8.230 nan 0.000 0.434 641 G N -1.212 107.067 108.800 -0.868 0.000 2.985 641 G HA2 -0.100 3.859 3.960 -0.002 0.000 0.209 641 G HA3 -0.100 3.859 3.960 -0.002 0.000 0.209 641 G C 1.630 176.367 174.900 -0.272 0.000 1.165 641 G CA 0.620 45.358 45.100 -0.605 0.000 0.776 641 G HN 0.466 nan 8.290 nan 0.000 0.541 642 S N -0.319 115.233 115.700 -0.247 0.000 2.428 642 S HA 0.259 4.728 4.470 -0.002 0.000 0.230 642 S C 1.983 176.529 174.600 -0.089 0.000 1.014 642 S CA 1.121 59.243 58.200 -0.131 0.000 0.957 642 S CB -0.280 62.857 63.200 -0.106 0.000 0.784 642 S HN 1.417 nan 8.310 nan 0.000 0.499 643 G N 1.223 109.957 108.800 -0.109 0.000 2.147 643 G HA2 -0.334 3.625 3.960 -0.002 0.000 0.244 643 G HA3 -0.334 3.625 3.960 -0.002 0.000 0.244 643 G C 0.965 175.852 174.900 -0.021 0.000 1.005 643 G CA 1.037 46.102 45.100 -0.060 0.000 0.713 643 G HN 1.283 nan 8.290 nan 0.000 0.515 644 S N -0.664 115.035 115.700 -0.002 0.000 2.382 644 S HA 0.240 4.709 4.470 -0.002 0.000 0.228 644 S C 2.628 177.247 174.600 0.031 0.000 1.027 644 S CA 1.992 60.212 58.200 0.033 0.000 0.991 644 S CB -0.334 62.927 63.200 0.102 0.000 0.823 644 S HN 2.478 nan 8.310 nan 0.000 0.469 645 G N -0.454 108.372 108.800 0.043 0.000 2.176 645 G HA2 -0.259 3.700 3.960 -0.002 0.000 0.253 645 G HA3 -0.259 3.700 3.960 -0.002 0.000 0.253 645 G C 0.731 175.641 174.900 0.017 0.000 0.979 645 G CA 0.343 45.459 45.100 0.026 0.000 0.641 645 G HN 0.744 nan 8.290 nan 0.000 0.530 646 V N -0.248 119.686 119.914 0.032 0.000 2.649 646 V HA 0.331 4.450 4.120 -0.002 0.000 0.248 646 V C 1.073 177.001 176.094 -0.277 0.000 1.054 646 V CA 1.306 63.499 62.300 -0.179 0.000 1.073 646 V CB -0.338 31.273 31.823 -0.354 0.000 0.699 646 V HN 0.283 nan 8.190 nan 0.000 0.463 647 F N -0.321 119.634 119.950 0.009 0.000 2.450 647 F HA 0.451 4.977 4.527 -0.002 0.000 0.332 647 F C 1.055 176.886 175.800 0.052 0.000 1.093 647 F CA -0.811 57.218 58.000 0.048 0.000 1.003 647 F CB 1.485 40.512 39.000 0.044 0.000 1.151 647 F HN -0.301 nan 8.300 nan 0.000 0.474 648 K N 0.898 121.452 120.400 0.256 0.000 2.166 648 K HA 0.167 4.486 4.320 -0.002 0.000 0.201 648 K C -0.387 176.316 176.600 0.172 0.000 1.052 648 K CA 0.815 57.208 56.287 0.177 0.000 0.969 648 K CB 0.308 32.908 32.500 0.167 0.000 0.761 648 K HN 0.789 nan 8.250 nan 0.000 0.459 649 c N -2.275 116.456 118.600 0.218 0.000 3.239 649 c HA 0.859 5.428 4.570 -0.002 0.000 0.317 649 c C -0.090 174.197 174.090 0.328 0.000 1.310 649 c CA -1.066 55.414 56.329 0.252 0.000 1.371 649 c CB 1.040 43.624 42.510 0.123 0.000 1.714 649 c HN 0.313 nan 8.230 nan 0.000 0.473 650 G N 0.187 109.234 108.800 0.411 0.000 2.642 650 G HA2 0.815 4.773 3.960 -0.002 0.000 0.293 650 G HA3 0.815 4.773 3.960 -0.002 0.000 0.293 650 G C -1.620 173.543 174.900 0.439 0.000 1.341 650 G CA -0.849 44.485 45.100 0.389 0.000 0.916 650 G HN 0.942 nan 8.290 nan 0.000 0.474 651 I N 0.271 121.080 120.570 0.399 0.000 2.569 651 I HA 0.661 4.830 4.170 -0.002 0.000 0.296 651 I C -0.008 176.305 176.117 0.327 0.000 1.028 651 I CA -1.066 60.385 61.300 0.252 0.000 1.082 651 I CB 2.413 40.531 38.000 0.197 0.000 1.264 651 I HN 0.607 nan 8.210 nan 0.000 0.429 652 A N 5.682 128.616 122.820 0.190 0.000 2.353 652 A HA 0.756 5.075 4.320 -0.002 0.000 0.299 652 A C -1.014 176.523 177.584 -0.078 0.000 1.089 652 A CA -0.497 51.620 52.037 0.132 0.000 0.736 652 A CB 1.303 20.458 19.000 0.258 0.000 1.195 652 A HN 0.411 nan 8.150 nan 0.000 0.447 653 V N 1.886 121.679 119.914 -0.202 0.000 2.384 653 V HA 0.595 4.714 4.120 -0.002 0.000 0.287 653 V C 1.009 176.708 176.094 -0.659 0.000 1.020 653 V CA 0.240 62.186 62.300 -0.591 0.000 0.850 653 V CB 0.775 31.895 31.823 -1.172 0.000 0.987 653 V HN 2.201 nan 8.190 nan 0.000 0.436 654 A N 5.560 127.950 122.820 -0.717 0.000 2.511 654 A HA -0.108 4.211 4.320 -0.002 0.000 0.297 654 A C -1.620 175.805 177.584 -0.264 0.000 1.476 654 A CA 0.336 51.837 52.037 -0.893 0.000 0.757 654 A CB -1.619 16.951 19.000 -0.716 0.000 1.072 654 A HN 0.642 nan 8.150 nan 0.000 0.413 655 P HA 0.352 nan 4.420 nan 0.000 0.275 655 P C 0.325 177.591 177.300 -0.057 0.000 1.228 655 P CA -0.038 63.033 63.100 -0.047 0.000 0.786 655 P CB 1.037 32.734 31.700 -0.004 0.000 0.927 656 V N 2.388 122.186 119.914 -0.194 0.000 2.775 656 V HA 0.079 4.198 4.120 -0.002 0.000 0.299 656 V C 1.642 177.604 176.094 -0.219 0.000 1.062 656 V CA 0.988 63.047 62.300 -0.401 0.000 1.063 656 V CB 0.790 31.983 31.823 -1.051 0.000 0.994 656 V HN 0.830 nan 8.190 nan 0.000 0.483 657 S N 3.137 118.718 115.700 -0.198 0.000 2.628 657 S HA 0.364 4.833 4.470 -0.002 0.000 0.246 657 S C 0.435 174.933 174.600 -0.170 0.000 1.062 657 S CA -0.423 57.733 58.200 -0.073 0.000 1.028 657 S CB 0.425 63.632 63.200 0.011 0.000 0.985 657 S HN 0.677 nan 8.310 nan 0.000 0.551 658 R N -0.823 119.451 120.500 -0.376 0.000 2.647 658 R HA 0.279 4.618 4.340 -0.002 0.000 0.260 658 R C -1.398 174.634 176.300 -0.447 0.000 1.154 658 R CA -0.554 55.271 56.100 -0.457 0.000 1.029 658 R CB 0.432 30.280 30.300 -0.753 0.000 1.262 658 R HN 0.264 nan 8.270 nan 0.000 0.437 659 W N 1.868 123.143 121.300 -0.043 0.000 2.584 659 W HA 0.042 4.701 4.660 -0.002 0.000 0.264 659 W C 1.289 177.966 176.519 0.264 0.000 1.264 659 W CA 0.309 57.722 57.345 0.112 0.000 1.306 659 W CB 0.459 29.928 29.460 0.016 0.000 1.110 659 W HN 0.690 nan 8.180 nan 0.000 0.606 660 E N -0.807 119.553 120.200 0.267 0.000 2.338 660 E HA -0.194 4.155 4.350 -0.002 0.000 0.197 660 E C 1.274 177.999 176.600 0.208 0.000 1.007 660 E CA 1.037 57.509 56.400 0.120 0.000 0.849 660 E CB -0.305 29.349 29.700 -0.076 0.000 0.774 660 E HN 0.352 nan 8.360 nan 0.000 0.506 661 Y N -1.507 118.894 120.300 0.167 0.000 2.490 661 Y HA 0.078 4.627 4.550 -0.002 0.000 0.285 661 Y C 0.702 176.720 175.900 0.197 0.000 1.117 661 Y CA -0.366 57.809 58.100 0.125 0.000 1.262 661 Y CB -0.469 38.012 38.460 0.035 0.000 1.043 661 Y HN 0.023 nan 8.280 nan 0.000 0.553 662 Y N 2.214 122.678 120.300 0.273 0.000 2.326 662 Y HA 0.272 4.821 4.550 -0.002 0.000 0.324 662 Y C 0.373 176.493 175.900 0.368 0.000 1.291 662 Y CA -2.031 56.232 58.100 0.272 0.000 1.348 662 Y CB 0.350 38.962 38.460 0.253 0.000 1.294 662 Y HN 0.218 nan 8.280 nan 0.000 0.525 663 D N -0.075 120.020 120.400 -0.509 0.000 2.400 663 D HA 0.058 4.697 4.640 -0.002 0.000 0.238 663 D C 0.972 177.251 176.300 -0.034 0.000 1.157 663 D CA 0.432 54.224 54.000 -0.346 0.000 0.889 663 D CB 0.878 41.228 40.800 -0.749 0.000 1.199 663 D HN 0.510 nan 8.370 nan 0.000 0.436 664 S N 1.203 116.899 115.700 -0.006 0.000 2.353 664 S HA -0.245 4.224 4.470 -0.002 0.000 0.222 664 S C 1.971 176.595 174.600 0.039 0.000 1.035 664 S CA 1.275 59.518 58.200 0.072 0.000 1.025 664 S CB -1.091 62.154 63.200 0.076 0.000 0.902 664 S HN 0.457 nan 8.310 nan 0.000 0.440 665 V N 0.776 120.652 119.914 -0.064 0.000 2.282 665 V HA -0.198 3.921 4.120 -0.002 0.000 0.249 665 V C 2.341 178.331 176.094 -0.175 0.000 1.057 665 V CA 2.317 64.483 62.300 -0.224 0.000 1.032 665 V CB -1.136 30.430 31.823 -0.427 0.000 0.645 665 V HN 0.630 nan 8.190 nan 0.000 0.447 666 Y N 1.145 121.366 120.300 -0.132 0.000 2.243 666 Y HA -0.129 4.420 4.550 -0.002 0.000 0.293 666 Y C 2.606 178.432 175.900 -0.123 0.000 1.124 666 Y CA 1.952 60.021 58.100 -0.051 0.000 1.159 666 Y CB -0.361 38.307 38.460 0.347 0.000 1.008 666 Y HN 0.220 nan 8.280 nan 0.000 0.527 667 T N 0.129 114.863 114.554 0.300 0.000 2.770 667 T HA -0.122 4.227 4.350 -0.002 0.000 0.263 667 T C 1.479 176.143 174.700 -0.059 0.000 1.039 667 T CA 1.763 64.001 62.100 0.230 0.000 1.142 667 T CB -0.177 68.978 68.868 0.478 0.000 0.868 667 T HN 0.391 nan 8.240 nan 0.000 0.435 668 E N 0.733 120.925 120.200 -0.012 0.000 2.208 668 E HA 0.030 4.379 4.350 -0.002 0.000 0.193 668 E C 2.378 178.856 176.600 -0.203 0.000 0.988 668 E CA 0.196 56.583 56.400 -0.021 0.000 0.828 668 E CB -0.037 29.706 29.700 0.072 0.000 0.763 668 E HN 0.223 nan 8.360 nan 0.000 0.478 669 R N 0.052 120.282 120.500 -0.450 0.000 2.119 669 R HA -0.195 4.144 4.340 -0.002 0.000 0.246 669 R C 1.298 177.047 176.300 -0.918 0.000 1.146 669 R CA 1.651 57.273 56.100 -0.796 0.000 0.962 669 R CB -0.048 29.421 30.300 -1.384 0.000 0.863 669 R HN 0.303 nan 8.270 nan 0.000 0.442 670 Y N -2.298 117.660 120.300 -0.569 0.000 2.507 670 Y HA 0.167 4.716 4.550 -0.002 0.000 0.263 670 Y C 1.868 177.547 175.900 -0.368 0.000 1.093 670 Y CA 0.229 57.965 58.100 -0.607 0.000 1.285 670 Y CB 0.302 38.290 38.460 -0.787 0.000 1.115 670 Y HN -0.071 nan 8.280 nan 0.000 0.533 671 M N -0.898 118.561 119.600 -0.235 0.000 2.379 671 M HA 0.381 4.860 4.480 -0.002 0.000 0.265 671 M C 1.119 177.398 176.300 -0.035 0.000 1.095 671 M CA 0.864 56.018 55.300 -0.242 0.000 1.075 671 M CB -0.152 32.081 32.600 -0.611 0.000 1.443 671 M HN 0.279 nan 8.290 nan 0.000 0.519 672 G N 2.016 110.828 108.800 0.020 0.000 2.645 672 G HA2 -0.236 3.722 3.960 -0.002 0.000 0.239 672 G HA3 -0.236 3.722 3.960 -0.002 0.000 0.239 672 G C -0.565 174.465 174.900 0.216 0.000 1.331 672 G CA -0.749 44.409 45.100 0.097 0.000 0.890 672 G HN 0.335 nan 8.290 nan 0.000 0.572 673 L N 1.801 123.128 121.223 0.173 0.000 2.375 673 L HA 0.440 4.779 4.340 -0.002 0.000 0.271 673 L C -1.467 175.469 176.870 0.110 0.000 1.107 673 L CA -1.751 53.168 54.840 0.132 0.000 0.806 673 L CB 1.714 43.804 42.059 0.052 0.000 1.146 673 L HN 0.418 nan 8.230 nan 0.000 0.447 674 P HA 0.078 nan 4.420 nan 0.000 0.218 674 P C -0.527 176.667 177.300 -0.177 0.000 1.793 674 P CA -0.182 62.635 63.100 -0.473 0.000 0.941 674 P CB -0.429 30.642 31.700 -1.047 0.000 1.919 675 T N -2.928 111.596 114.554 -0.049 0.000 2.912 675 T HA 0.495 4.844 4.350 -0.002 0.000 0.288 675 T C -2.197 172.511 174.700 0.013 0.000 1.030 675 T CA -2.535 59.553 62.100 -0.020 0.000 1.020 675 T CB 1.907 70.770 68.868 -0.008 0.000 1.056 675 T HN -0.277 nan 8.240 nan 0.000 0.480 676 P HA -0.103 nan 4.420 nan 0.000 0.218 676 P C 1.339 178.657 177.300 0.030 0.000 1.148 676 P CA 0.911 64.026 63.100 0.024 0.000 0.822 676 P CB 0.095 31.804 31.700 0.015 0.000 0.784 677 E N -1.370 118.844 120.200 0.024 0.000 2.489 677 E HA -0.064 4.285 4.350 -0.002 0.000 0.193 677 E C 0.742 177.362 176.600 0.032 0.000 1.057 677 E CA 0.577 56.992 56.400 0.024 0.000 0.866 677 E CB -0.202 29.507 29.700 0.015 0.000 0.916 677 E HN 0.186 nan 8.360 nan 0.000 0.500 678 D N 1.369 121.796 120.400 0.044 0.000 3.059 678 D HA 0.067 4.706 4.640 -0.002 0.000 0.231 678 D C 0.503 176.856 176.300 0.088 0.000 1.331 678 D CA -0.071 53.966 54.000 0.061 0.000 1.288 678 D CB -0.098 40.742 40.800 0.066 0.000 0.922 678 D HN 0.097 nan 8.370 nan 0.000 0.197 679 N N -0.075 118.710 118.700 0.141 0.000 2.238 679 N HA 0.068 4.807 4.740 -0.002 0.000 0.235 679 N C 1.490 177.173 175.510 0.288 0.000 1.209 679 N CA -0.109 53.060 53.050 0.198 0.000 0.879 679 N CB 0.941 39.551 38.487 0.205 0.000 1.136 679 N HN 0.023 nan 8.380 nan 0.000 0.517 680 L N 1.261 122.603 121.223 0.198 0.000 2.051 680 L HA -0.247 4.092 4.340 -0.002 0.000 0.214 680 L C 1.527 178.504 176.870 0.178 0.000 1.076 680 L CA 1.922 56.859 54.840 0.162 0.000 0.758 680 L CB -0.232 41.854 42.059 0.046 0.000 0.890 680 L HN 0.228 nan 8.230 nan 0.000 0.433 681 D N -1.705 118.781 120.400 0.143 0.000 2.104 681 D HA -0.290 4.349 4.640 -0.002 0.000 0.194 681 D C 1.875 178.263 176.300 0.148 0.000 0.994 681 D CA 2.013 56.086 54.000 0.122 0.000 0.830 681 D CB -0.302 40.558 40.800 0.100 0.000 0.959 681 D HN 0.583 nan 8.370 nan 0.000 0.452 682 H N -0.387 118.739 119.070 0.093 0.000 2.428 682 H HA -0.071 4.484 4.556 -0.002 0.000 0.296 682 H C 1.760 177.146 175.328 0.097 0.000 1.062 682 H CA 1.028 57.110 56.048 0.057 0.000 1.350 682 H CB -0.291 29.464 29.762 -0.012 0.000 1.403 682 H HN 0.128 nan 8.280 nan 0.000 0.533 683 Y N 0.266 120.544 120.300 -0.037 0.000 2.151 683 Y HA -0.257 4.292 4.550 -0.002 0.000 0.284 683 Y C 2.578 178.441 175.900 -0.062 0.000 1.166 683 Y CA 1.877 59.967 58.100 -0.017 0.000 1.163 683 Y CB -0.015 38.467 38.460 0.036 0.000 0.974 683 Y HN 0.103 nan 8.280 nan 0.000 0.511 684 R N -0.371 120.196 120.500 0.112 0.000 2.153 684 R HA -0.073 4.266 4.340 -0.002 0.000 0.218 684 R C 1.715 178.009 176.300 -0.010 0.000 1.072 684 R CA 0.953 57.076 56.100 0.038 0.000 0.990 684 R CB -0.221 30.105 30.300 0.043 0.000 0.889 684 R HN 0.162 nan 8.270 nan 0.000 0.452 685 N N -0.458 118.213 118.700 -0.048 0.000 2.467 685 N HA -0.052 4.686 4.740 -0.002 0.000 0.184 685 N C -0.147 175.314 175.510 -0.082 0.000 1.106 685 N CA 0.655 53.685 53.050 -0.034 0.000 0.892 685 N CB 0.364 38.882 38.487 0.051 0.000 0.969 685 N HN 0.110 nan 8.380 nan 0.000 0.454 686 S N -1.479 114.127 115.700 -0.157 0.000 2.624 686 S HA 0.173 4.642 4.470 -0.002 0.000 0.246 686 S C 0.114 174.755 174.600 0.068 0.000 1.072 686 S CA -0.718 57.447 58.200 -0.058 0.000 1.045 686 S CB -0.735 62.366 63.200 -0.164 0.000 0.851 686 S HN 0.191 nan 8.310 nan 0.000 0.480 687 T N -1.382 113.170 114.554 -0.003 0.000 2.909 687 T HA 0.513 4.862 4.350 -0.002 0.000 0.286 687 T C 1.343 176.012 174.700 -0.052 0.000 1.002 687 T CA -0.669 61.415 62.100 -0.027 0.000 1.074 687 T CB 1.455 70.287 68.868 -0.059 0.000 0.984 687 T HN -0.036 nan 8.240 nan 0.000 0.495 688 V N 2.075 121.944 119.914 -0.075 0.000 2.407 688 V HA -0.172 3.947 4.120 -0.002 0.000 0.248 688 V C 2.607 178.653 176.094 -0.081 0.000 1.055 688 V CA 1.799 64.040 62.300 -0.099 0.000 1.049 688 V CB -0.948 30.809 31.823 -0.110 0.000 0.662 688 V HN 0.837 nan 8.190 nan 0.000 0.455 689 M N 0.964 120.515 119.600 -0.082 0.000 2.106 689 M HA -0.178 4.301 4.480 -0.002 0.000 0.259 689 M C 2.374 178.642 176.300 -0.055 0.000 1.068 689 M CA 2.312 57.562 55.300 -0.083 0.000 1.100 689 M CB -0.834 31.735 32.600 -0.051 0.000 1.351 689 M HN 0.547 nan 8.290 nan 0.000 0.404 690 S N -0.538 115.142 115.700 -0.032 0.000 2.447 690 S HA -0.077 4.392 4.470 -0.002 0.000 0.233 690 S C 1.889 176.493 174.600 0.006 0.000 1.006 690 S CA 0.751 58.943 58.200 -0.013 0.000 0.957 690 S CB -0.454 62.739 63.200 -0.010 0.000 0.773 690 S HN 0.508 nan 8.310 nan 0.000 0.507 691 R N 0.708 121.222 120.500 0.023 0.000 2.300 691 R HA 0.390 4.729 4.340 -0.002 0.000 0.199 691 R C 2.469 178.871 176.300 0.170 0.000 0.920 691 R CA 0.488 56.635 56.100 0.080 0.000 1.046 691 R CB -0.471 29.880 30.300 0.084 0.000 0.984 691 R HN 0.496 nan 8.270 nan 0.000 0.493 692 A N 2.091 124.954 122.820 0.073 0.000 1.909 692 A HA -0.307 4.012 4.320 -0.002 0.000 0.221 692 A C 1.846 179.516 177.584 0.143 0.000 1.223 692 A CA 1.799 53.833 52.037 -0.004 0.000 0.658 692 A CB -0.420 18.509 19.000 -0.118 0.000 0.831 692 A HN 0.267 nan 8.150 nan 0.000 0.462 693 E N -0.205 120.053 120.200 0.096 0.000 2.136 693 E HA -0.260 4.089 4.350 -0.002 0.000 0.208 693 E C 1.703 178.383 176.600 0.133 0.000 1.035 693 E CA 1.680 58.137 56.400 0.096 0.000 0.838 693 E CB -0.519 29.216 29.700 0.059 0.000 0.748 693 E HN 0.662 nan 8.360 nan 0.000 0.459 694 N N 0.081 118.862 118.700 0.135 0.000 2.443 694 N HA -0.126 4.613 4.740 -0.002 0.000 0.184 694 N C 1.493 177.018 175.510 0.025 0.000 1.037 694 N CA 0.593 53.670 53.050 0.046 0.000 0.896 694 N CB -0.408 38.051 38.487 -0.047 0.000 0.959 694 N HN 0.152 nan 8.380 nan 0.000 0.442 695 F N 1.511 121.434 119.950 -0.045 0.000 2.451 695 F HA -0.051 4.475 4.527 -0.002 0.000 0.299 695 F C 1.751 177.572 175.800 0.036 0.000 1.101 695 F CA 0.635 58.615 58.000 -0.034 0.000 1.436 695 F CB -0.198 38.764 39.000 -0.064 0.000 1.074 695 F HN 0.046 nan 8.300 nan 0.000 0.553 696 K N 0.014 120.531 120.400 0.194 0.000 2.362 696 K HA -0.211 4.108 4.320 -0.002 0.000 0.202 696 K C 1.469 178.133 176.600 0.107 0.000 1.045 696 K CA 1.244 57.618 56.287 0.145 0.000 0.936 696 K CB -0.484 32.080 32.500 0.106 0.000 0.747 696 K HN 0.376 nan 8.250 nan 0.000 0.467 697 Q N 0.592 120.434 119.800 0.071 0.000 2.408 697 Q HA 0.063 4.401 4.340 -0.002 0.000 0.205 697 Q C 0.439 176.470 176.000 0.052 0.000 0.919 697 Q CA 0.284 56.113 55.803 0.042 0.000 0.932 697 Q CB 0.625 29.366 28.738 0.004 0.000 1.058 697 Q HN 0.332 nan 8.270 nan 0.000 0.517 698 V N -3.376 116.580 119.914 0.071 0.000 3.156 698 V HA 0.494 4.612 4.120 -0.002 0.000 0.310 698 V C -1.410 174.803 176.094 0.197 0.000 1.234 698 V CA -1.216 61.145 62.300 0.102 0.000 1.065 698 V CB 2.257 34.100 31.823 0.033 0.000 1.088 698 V HN -0.073 nan 8.190 nan 0.000 0.451 699 E N 1.063 121.410 120.200 0.246 0.000 2.129 699 E HA 0.440 4.789 4.350 -0.002 0.000 0.268 699 E C -1.987 174.964 176.600 0.585 0.000 0.900 699 E CA -0.466 56.150 56.400 0.361 0.000 0.755 699 E CB 1.888 31.733 29.700 0.241 0.000 1.117 699 E HN 0.653 nan 8.360 nan 0.000 0.410 700 Y N 3.560 124.109 120.300 0.414 0.000 2.335 700 Y HA 0.436 4.985 4.550 -0.002 0.000 0.338 700 Y C -1.458 174.544 175.900 0.170 0.000 0.977 700 Y CA -1.677 56.620 58.100 0.328 0.000 1.114 700 Y CB 0.928 39.603 38.460 0.359 0.000 1.182 700 Y HN 0.423 nan 8.280 nan 0.000 0.463 701 L N 8.139 129.224 121.223 -0.230 0.000 2.319 701 L HA 0.602 4.940 4.340 -0.002 0.000 0.281 701 L C -2.162 174.371 176.870 -0.562 0.000 1.005 701 L CA -0.698 53.785 54.840 -0.595 0.000 0.828 701 L CB 1.228 42.507 42.059 -1.300 0.000 1.227 701 L HN 0.607 nan 8.230 nan 0.000 0.415 702 L N 6.638 127.538 121.223 -0.538 0.000 2.333 702 L HA 0.738 5.076 4.340 -0.002 0.000 0.280 702 L C -1.251 175.494 176.870 -0.207 0.000 1.004 702 L CA -0.067 54.488 54.840 -0.475 0.000 0.820 702 L CB 1.377 43.035 42.059 -0.668 0.000 1.247 702 L HN 0.616 nan 8.230 nan 0.000 0.416 703 I N 4.400 124.871 120.570 -0.164 0.000 2.582 703 I HA 0.486 4.655 4.170 -0.002 0.000 0.292 703 I C -1.158 174.937 176.117 -0.037 0.000 1.066 703 I CA -0.597 60.660 61.300 -0.073 0.000 1.053 703 I CB 2.133 40.068 38.000 -0.109 0.000 1.241 703 I HN 0.679 nan 8.210 nan 0.000 0.421 704 H N 2.115 121.238 119.070 0.088 0.000 3.038 704 H HA 0.558 5.113 4.556 -0.002 0.000 0.362 704 H C -0.402 175.146 175.328 0.368 0.000 1.167 704 H CA -0.664 55.483 56.048 0.165 0.000 1.197 704 H CB 2.103 31.926 29.762 0.102 0.000 1.840 704 H HN 0.747 nan 8.280 nan 0.000 0.540 705 G N 0.641 109.798 108.800 0.595 0.000 2.372 705 G HA2 0.223 4.182 3.960 -0.002 0.000 0.283 705 G HA3 0.223 4.182 3.960 -0.002 0.000 0.283 705 G C 1.070 176.225 174.900 0.425 0.000 1.177 705 G CA 0.089 45.481 45.100 0.486 0.000 0.842 705 G HN 0.738 nan 8.290 nan 0.000 0.503 706 T N -0.893 113.775 114.554 0.191 0.000 3.072 706 T HA 0.157 4.506 4.350 -0.002 0.000 0.266 706 T C 1.551 176.217 174.700 -0.056 0.000 1.127 706 T CA 1.149 63.181 62.100 -0.114 0.000 1.107 706 T CB 0.234 68.949 68.868 -0.254 0.000 0.910 706 T HN 0.688 nan 8.240 nan 0.000 0.513 707 A N 0.929 123.786 122.820 0.061 0.000 2.713 707 A HA 0.313 4.631 4.320 -0.002 0.000 0.296 707 A C 0.385 177.917 177.584 -0.086 0.000 1.255 707 A CA -0.516 51.506 52.037 -0.025 0.000 0.955 707 A CB -0.176 19.068 19.000 0.406 0.000 1.149 707 A HN 0.371 nan 8.150 nan 0.000 0.538 708 D N 1.790 122.177 120.400 -0.023 0.000 2.367 708 D HA -0.026 4.613 4.640 -0.002 0.000 0.255 708 D C 0.299 176.563 176.300 -0.060 0.000 1.300 708 D CA 0.179 54.262 54.000 0.139 0.000 0.959 708 D CB 0.560 41.604 40.800 0.407 0.000 1.064 708 D HN 0.566 nan 8.370 nan 0.000 0.509 709 D N 2.385 122.767 120.400 -0.030 0.000 2.347 709 D HA -0.153 4.486 4.640 -0.002 0.000 0.215 709 D C 0.935 177.168 176.300 -0.110 0.000 0.976 709 D CA 0.060 53.985 54.000 -0.125 0.000 0.884 709 D CB 0.419 41.044 40.800 -0.291 0.000 0.915 709 D HN 0.242 nan 8.370 nan 0.000 0.526 710 N N 0.813 119.558 118.700 0.075 0.000 2.358 710 N HA -0.048 4.691 4.740 -0.002 0.000 0.209 710 N C -0.021 175.412 175.510 -0.128 0.000 1.033 710 N CA 0.380 53.510 53.050 0.133 0.000 1.021 710 N CB 0.272 38.860 38.487 0.168 0.000 1.244 710 N HN -0.109 nan 8.380 nan 0.000 0.523 711 V N 3.270 123.177 119.914 -0.013 0.000 2.338 711 V HA 0.118 4.237 4.120 -0.002 0.000 0.255 711 V C -0.401 175.754 176.094 0.101 0.000 1.082 711 V CA -0.170 62.159 62.300 0.048 0.000 0.951 711 V CB -1.003 30.930 31.823 0.182 0.000 1.102 711 V HN 0.292 nan 8.190 nan 0.000 0.489 712 H N 3.496 122.547 119.070 -0.031 0.000 2.897 712 H HA 0.000 4.555 4.556 -0.002 0.000 0.347 712 H C 0.823 175.983 175.328 -0.280 0.000 1.068 712 H CA -0.126 55.813 56.048 -0.182 0.000 1.426 712 H CB 0.600 30.179 29.762 -0.305 0.000 1.410 712 H HN 0.602 nan 8.280 nan 0.000 0.597 713 F N 2.220 121.930 119.950 -0.401 0.000 2.141 713 F HA -0.377 4.148 4.527 -0.002 0.000 0.300 713 F C 2.600 178.120 175.800 -0.467 0.000 1.079 713 F CA 2.095 59.666 58.000 -0.715 0.000 1.264 713 F CB -0.245 38.528 39.000 -0.380 0.000 1.011 713 F HN 0.699 nan 8.300 nan 0.000 0.487 714 Q N 0.014 119.679 119.800 -0.225 0.000 2.207 714 Q HA -0.363 3.975 4.340 -0.002 0.000 0.215 714 Q C 2.132 177.886 176.000 -0.410 0.000 1.006 714 Q CA 2.618 58.233 55.803 -0.312 0.000 0.903 714 Q CB -0.366 28.170 28.738 -0.338 0.000 0.947 714 Q HN 0.629 nan 8.270 nan 0.000 0.414 715 Q N -0.524 119.080 119.800 -0.325 0.000 2.050 715 Q HA -0.123 4.216 4.340 -0.002 0.000 0.202 715 Q C 2.273 178.175 176.000 -0.163 0.000 0.980 715 Q CA 1.798 57.516 55.803 -0.142 0.000 0.840 715 Q CB -0.147 28.599 28.738 0.013 0.000 0.898 715 Q HN 0.357 nan 8.270 nan 0.000 0.424 716 S N 1.120 116.652 115.700 -0.279 0.000 2.387 716 S HA -0.037 4.432 4.470 -0.002 0.000 0.226 716 S C 2.155 176.531 174.600 -0.374 0.000 1.026 716 S CA 0.757 58.789 58.200 -0.281 0.000 0.972 716 S CB -0.250 62.803 63.200 -0.244 0.000 0.814 716 S HN 0.480 nan 8.310 nan 0.000 0.477 717 A N 2.035 124.517 122.820 -0.564 0.000 1.903 717 A HA -0.224 4.095 4.320 -0.002 0.000 0.219 717 A C 2.151 179.621 177.584 -0.190 0.000 1.191 717 A CA 1.534 53.356 52.037 -0.359 0.000 0.638 717 A CB -0.658 18.166 19.000 -0.294 0.000 0.823 717 A HN 0.409 nan 8.150 nan 0.000 0.451 718 Q N -0.594 119.100 119.800 -0.176 0.000 2.167 718 Q HA -0.075 4.264 4.340 -0.002 0.000 0.202 718 Q C 2.160 178.106 176.000 -0.091 0.000 0.970 718 Q CA 1.187 56.941 55.803 -0.082 0.000 0.855 718 Q CB -0.382 28.367 28.738 0.019 0.000 0.911 718 Q HN 0.805 nan 8.270 nan 0.000 0.438 719 I N 1.038 121.527 120.570 -0.136 0.000 2.133 719 I HA -0.286 3.883 4.170 -0.002 0.000 0.238 719 I C 2.653 178.610 176.117 -0.267 0.000 1.074 719 I CA 1.382 62.564 61.300 -0.196 0.000 1.342 719 I CB -0.544 37.343 38.000 -0.189 0.000 1.053 719 I HN 0.209 nan 8.210 nan 0.000 0.404 720 S N 1.163 116.718 115.700 -0.242 0.000 2.372 720 S HA -0.350 4.119 4.470 -0.002 0.000 0.227 720 S C 2.079 176.650 174.600 -0.048 0.000 1.044 720 S CA 1.988 60.092 58.200 -0.160 0.000 1.050 720 S CB -0.602 62.636 63.200 0.064 0.000 0.901 720 S HN 0.401 nan 8.310 nan 0.000 0.447 721 K N 1.469 121.841 120.400 -0.046 0.000 2.097 721 K HA 0.016 4.335 4.320 -0.002 0.000 0.206 721 K C 2.349 178.929 176.600 -0.033 0.000 1.049 721 K CA 1.087 57.365 56.287 -0.015 0.000 0.933 721 K CB -0.677 31.810 32.500 -0.021 0.000 0.717 721 K HN 0.489 nan 8.250 nan 0.000 0.442 722 A N 1.318 124.089 122.820 -0.081 0.000 1.902 722 A HA -0.133 4.186 4.320 -0.002 0.000 0.217 722 A C 2.092 179.616 177.584 -0.101 0.000 1.181 722 A CA 1.285 53.268 52.037 -0.090 0.000 0.623 722 A CB -0.596 18.331 19.000 -0.123 0.000 0.818 722 A HN 0.320 nan 8.150 nan 0.000 0.443 723 L N -0.534 120.584 121.223 -0.175 0.000 2.093 723 L HA -0.151 4.188 4.340 -0.002 0.000 0.208 723 L C 2.530 179.433 176.870 0.055 0.000 1.085 723 L CA 1.036 55.782 54.840 -0.157 0.000 0.755 723 L CB -0.551 41.225 42.059 -0.472 0.000 0.904 723 L HN 0.261 nan 8.230 nan 0.000 0.435 724 V N -0.396 119.586 119.914 0.113 0.000 2.358 724 V HA -0.279 3.840 4.120 -0.002 0.000 0.246 724 V C 2.040 178.174 176.094 0.066 0.000 1.047 724 V CA 1.817 64.194 62.300 0.129 0.000 1.035 724 V CB -0.516 31.378 31.823 0.119 0.000 0.658 724 V HN 0.403 nan 8.190 nan 0.000 0.452 725 D N -0.261 120.160 120.400 0.035 0.000 2.221 725 D HA -0.116 4.523 4.640 -0.002 0.000 0.204 725 D C 1.780 178.095 176.300 0.025 0.000 0.982 725 D CA 1.062 55.076 54.000 0.022 0.000 0.857 725 D CB 0.025 40.830 40.800 0.007 0.000 0.934 725 D HN 0.340 nan 8.370 nan 0.000 0.475 726 V N -0.920 119.011 119.914 0.028 0.000 3.621 726 V HA 0.234 4.353 4.120 -0.002 0.000 0.285 726 V C 1.236 177.362 176.094 0.053 0.000 1.346 726 V CA 0.694 63.014 62.300 0.033 0.000 1.104 726 V CB 0.465 32.301 31.823 0.023 0.000 0.913 726 V HN 0.355 nan 8.190 nan 0.000 0.432 727 G N 0.769 109.608 108.800 0.066 0.000 2.171 727 G HA2 -0.191 3.768 3.960 -0.002 0.000 0.238 727 G HA3 -0.191 3.768 3.960 -0.002 0.000 0.238 727 G C -0.015 174.949 174.900 0.107 0.000 1.039 727 G CA 0.218 45.364 45.100 0.077 0.000 0.759 727 G HN 0.405 nan 8.290 nan 0.000 0.501 728 V N 0.619 120.620 119.914 0.146 0.000 2.398 728 V HA 0.477 4.596 4.120 -0.002 0.000 0.286 728 V C 0.487 176.766 176.094 0.309 0.000 1.026 728 V CA -0.710 61.710 62.300 0.202 0.000 0.868 728 V CB 1.706 33.644 31.823 0.191 0.000 0.982 728 V HN 0.387 nan 8.190 nan 0.000 0.443 729 D N 3.711 124.260 120.400 0.248 0.000 2.357 729 D HA 0.577 5.216 4.640 -0.002 0.000 0.242 729 D C -0.531 176.009 176.300 0.401 0.000 1.153 729 D CA 0.428 54.555 54.000 0.211 0.000 0.918 729 D CB 0.781 41.644 40.800 0.105 0.000 1.181 729 D HN 0.385 nan 8.370 nan 0.000 0.435 730 F N -1.519 118.494 119.950 0.104 0.000 2.842 730 F HA 0.383 4.909 4.527 -0.002 0.000 0.319 730 F C -1.305 174.526 175.800 0.052 0.000 1.159 730 F CA -1.097 56.975 58.000 0.120 0.000 0.902 730 F CB 0.585 39.656 39.000 0.118 0.000 1.311 730 F HN 0.208 nan 8.300 nan 0.000 0.453 731 Q N 1.023 120.887 119.800 0.105 0.000 2.241 731 Q HA 0.900 5.239 4.340 -0.002 0.000 0.262 731 Q C -1.099 174.882 176.000 -0.032 0.000 1.014 731 Q CA -1.117 54.657 55.803 -0.048 0.000 0.885 731 Q CB 2.304 31.070 28.738 0.047 0.000 1.311 731 Q HN 0.991 nan 8.270 nan 0.000 0.461 732 A N 1.201 123.976 122.820 -0.075 0.000 2.556 732 A HA 0.873 5.192 4.320 -0.002 0.000 0.294 732 A C -1.686 175.835 177.584 -0.106 0.000 1.091 732 A CA -0.546 51.474 52.037 -0.029 0.000 0.704 732 A CB 1.935 20.968 19.000 0.057 0.000 1.300 732 A HN 0.603 nan 8.150 nan 0.000 0.406 733 M N 1.052 120.581 119.600 -0.119 0.000 2.307 733 M HA 0.578 5.057 4.480 -0.002 0.000 0.279 733 M C -2.176 174.013 176.300 -0.186 0.000 1.080 733 M CA -0.407 54.678 55.300 -0.358 0.000 0.964 733 M CB 1.200 33.504 32.600 -0.493 0.000 1.825 733 M HN 1.047 nan 8.290 nan 0.000 0.489 734 W N 4.382 125.524 121.300 -0.264 0.000 2.570 734 W HA 0.792 5.451 4.660 -0.002 0.000 0.337 734 W C -2.123 174.132 176.519 -0.440 0.000 1.067 734 W CA -0.908 56.364 57.345 -0.122 0.000 1.229 734 W CB 0.438 29.876 29.460 -0.037 0.000 1.355 734 W HN 0.608 nan 8.180 nan 0.000 0.555 735 Y N 2.574 122.971 120.300 0.161 0.000 2.345 735 Y HA 0.318 4.867 4.550 -0.002 0.000 0.331 735 Y C 0.807 176.820 175.900 0.189 0.000 0.959 735 Y CA -1.031 57.097 58.100 0.046 0.000 1.204 735 Y CB 1.677 40.134 38.460 -0.006 0.000 1.135 735 Y HN 0.612 nan 8.280 nan 0.000 0.477 736 T N 1.518 116.244 114.554 0.288 0.000 2.834 736 T HA 0.183 4.532 4.350 -0.002 0.000 0.298 736 T C 0.262 175.046 174.700 0.139 0.000 0.966 736 T CA 0.100 62.321 62.100 0.202 0.000 1.141 736 T CB 0.128 69.059 68.868 0.104 0.000 0.905 736 T HN 0.788 nan 8.240 nan 0.000 0.535 737 D N 1.064 121.541 120.400 0.129 0.000 3.006 737 D HA -0.104 4.535 4.640 -0.002 0.000 0.205 737 D C -0.206 176.257 176.300 0.272 0.000 1.075 737 D CA 1.027 55.080 54.000 0.087 0.000 1.000 737 D CB -0.721 39.939 40.800 -0.234 0.000 1.097 737 D HN 0.654 nan 8.370 nan 0.000 0.426 738 E N 0.922 121.280 120.200 0.263 0.000 2.266 738 E HA 0.346 4.695 4.350 -0.002 0.000 0.277 738 E C 0.737 177.516 176.600 0.299 0.000 1.018 738 E CA -0.287 56.277 56.400 0.273 0.000 0.840 738 E CB 1.152 31.003 29.700 0.251 0.000 1.082 738 E HN 0.357 nan 8.360 nan 0.000 0.395 739 D N 0.300 120.886 120.400 0.309 0.000 2.360 739 D HA -0.043 4.596 4.640 -0.002 0.000 0.289 739 D C 1.159 177.685 176.300 0.376 0.000 1.183 739 D CA 0.186 54.387 54.000 0.335 0.000 1.082 739 D CB -0.187 40.832 40.800 0.364 0.000 1.146 739 D HN 0.472 nan 8.370 nan 0.000 0.545 740 H N -1.812 117.441 119.070 0.306 0.000 2.462 740 H HA 0.206 4.761 4.556 -0.002 0.000 0.292 740 H C 1.953 177.555 175.328 0.456 0.000 1.049 740 H CA 1.860 58.119 56.048 0.351 0.000 1.334 740 H CB -0.269 29.684 29.762 0.317 0.000 1.404 740 H HN 0.430 nan 8.280 nan 0.000 0.544 741 G N -0.057 108.911 108.800 0.280 0.000 2.683 741 G HA2 0.033 3.992 3.960 -0.002 0.000 0.213 741 G HA3 0.033 3.992 3.960 -0.002 0.000 0.213 741 G C 0.460 175.519 174.900 0.265 0.000 1.142 741 G CA 0.289 45.457 45.100 0.113 0.000 0.793 741 G HN 0.513 nan 8.290 nan 0.000 0.534 742 I N -0.079 120.685 120.570 0.323 0.000 6.347 742 I HA -0.316 3.853 4.170 -0.002 0.000 0.126 742 I C 1.453 177.685 176.117 0.192 0.000 1.576 742 I CA 0.116 61.564 61.300 0.247 0.000 2.463 742 I CB -1.501 36.637 38.000 0.230 0.000 2.990 742 I HN 0.247 nan 8.210 nan 0.000 0.281 743 A N 1.936 124.835 122.820 0.132 0.000 2.229 743 A HA 0.214 4.533 4.320 -0.002 0.000 0.211 743 A C 1.271 178.896 177.584 0.069 0.000 1.193 743 A CA 0.684 52.751 52.037 0.050 0.000 0.879 743 A CB 0.190 19.197 19.000 0.011 0.000 0.911 743 A HN 0.747 nan 8.150 nan 0.000 0.492 744 S N 1.107 116.871 115.700 0.107 0.000 2.558 744 S HA 0.096 4.565 4.470 -0.002 0.000 0.291 744 S C 1.246 175.917 174.600 0.118 0.000 1.306 744 S CA 0.320 58.584 58.200 0.105 0.000 1.056 744 S CB 0.676 63.946 63.200 0.117 0.000 0.836 744 S HN 0.814 nan 8.310 nan 0.000 0.504 745 S N 2.549 118.307 115.700 0.097 0.000 2.370 745 S HA -0.198 4.271 4.470 -0.002 0.000 0.226 745 S C 2.009 176.672 174.600 0.105 0.000 1.033 745 S CA 1.412 59.677 58.200 0.109 0.000 1.011 745 S CB -1.846 61.392 63.200 0.064 0.000 0.852 745 S HN 1.064 nan 8.310 nan 0.000 0.457 746 T N 0.807 115.414 114.554 0.089 0.000 2.777 746 T HA 0.168 4.517 4.350 -0.002 0.000 0.266 746 T C 2.038 176.807 174.700 0.115 0.000 1.040 746 T CA 1.031 63.186 62.100 0.091 0.000 1.141 746 T CB -0.872 68.050 68.868 0.089 0.000 0.868 746 T HN 0.537 nan 8.240 nan 0.000 0.444 747 A N 1.577 124.455 122.820 0.097 0.000 1.898 747 A HA -0.092 4.227 4.320 -0.002 0.000 0.216 747 A C 2.236 179.809 177.584 -0.018 0.000 1.181 747 A CA 2.014 54.059 52.037 0.013 0.000 0.620 747 A CB -1.234 17.754 19.000 -0.020 0.000 0.819 747 A HN 0.720 nan 8.150 nan 0.000 0.442 748 H N 0.006 119.074 119.070 -0.004 0.000 2.290 748 H HA -0.154 4.400 4.556 -0.002 0.000 0.298 748 H C 2.097 177.487 175.328 0.103 0.000 1.087 748 H CA 2.399 58.483 56.048 0.062 0.000 1.291 748 H CB -0.414 29.386 29.762 0.064 0.000 1.369 748 H HN 0.575 nan 8.280 nan 0.000 0.492 749 Q N -1.125 118.594 119.800 -0.135 0.000 2.096 749 Q HA -0.214 4.125 4.340 -0.002 0.000 0.204 749 Q C 2.275 178.229 176.000 -0.077 0.000 0.982 749 Q CA 1.788 57.484 55.803 -0.177 0.000 0.850 749 Q CB -0.298 28.382 28.738 -0.097 0.000 0.901 749 Q HN 0.689 nan 8.270 nan 0.000 0.422 750 H N 0.257 119.287 119.070 -0.067 0.000 2.290 750 H HA -0.146 4.409 4.556 -0.002 0.000 0.298 750 H C 2.008 177.320 175.328 -0.026 0.000 1.087 750 H CA 1.840 57.885 56.048 -0.004 0.000 1.291 750 H CB -0.019 29.808 29.762 0.108 0.000 1.369 750 H HN 0.267 nan 8.280 nan 0.000 0.492 751 I N -0.388 120.188 120.570 0.009 0.000 2.286 751 I HA -0.310 3.859 4.170 -0.002 0.000 0.248 751 I C 1.299 177.237 176.117 -0.297 0.000 1.115 751 I CA 1.317 62.532 61.300 -0.142 0.000 1.392 751 I CB -0.089 37.621 38.000 -0.484 0.000 1.065 751 I HN 0.336 nan 8.210 nan 0.000 0.418 752 Y N 0.769 120.896 120.300 -0.288 0.000 2.337 752 Y HA -0.154 4.395 4.550 -0.002 0.000 0.293 752 Y C 2.655 178.352 175.900 -0.338 0.000 1.123 752 Y CA 1.593 59.387 58.100 -0.510 0.000 1.201 752 Y CB -0.798 37.345 38.460 -0.530 0.000 1.011 752 Y HN 0.133 nan 8.280 nan 0.000 0.545 753 T N -1.318 113.170 114.554 -0.109 0.000 2.622 753 T HA -0.279 4.070 4.350 -0.002 0.000 0.266 753 T C 1.593 176.169 174.700 -0.206 0.000 1.047 753 T CA 2.070 64.056 62.100 -0.191 0.000 1.159 753 T CB -0.613 68.125 68.868 -0.217 0.000 0.863 753 T HN 0.407 nan 8.240 nan 0.000 0.422 754 H N 0.672 119.653 119.070 -0.150 0.000 2.319 754 H HA 0.039 4.594 4.556 -0.002 0.000 0.299 754 H C 2.232 177.562 175.328 0.004 0.000 1.092 754 H CA 1.734 57.770 56.048 -0.020 0.000 1.302 754 H CB -0.302 29.515 29.762 0.091 0.000 1.373 754 H HN 0.249 nan 8.280 nan 0.000 0.497 755 M N -0.833 118.727 119.600 -0.066 0.000 2.159 755 M HA -0.181 4.298 4.480 -0.002 0.000 0.263 755 M C 2.430 178.839 176.300 0.181 0.000 1.063 755 M CA 1.431 56.682 55.300 -0.081 0.000 1.110 755 M CB 0.035 32.347 32.600 -0.479 0.000 1.374 755 M HN 0.240 nan 8.290 nan 0.000 0.411 756 S N -0.471 115.348 115.700 0.199 0.000 2.354 756 S HA -0.190 4.279 4.470 -0.002 0.000 0.219 756 S C 1.655 176.386 174.600 0.219 0.000 1.035 756 S CA 1.238 59.661 58.200 0.372 0.000 1.037 756 S CB -0.708 62.680 63.200 0.313 0.000 0.956 756 S HN 0.467 nan 8.310 nan 0.000 0.428 757 H N 0.244 119.396 119.070 0.136 0.000 2.321 757 H HA -0.140 4.415 4.556 -0.002 0.000 0.295 757 H C 1.949 177.298 175.328 0.036 0.000 1.102 757 H CA 1.626 57.706 56.048 0.054 0.000 1.266 757 H CB -1.035 28.716 29.762 -0.019 0.000 1.363 757 H HN 0.450 nan 8.280 nan 0.000 0.492 758 F N 1.029 120.984 119.950 0.007 0.000 2.065 758 F HA -0.228 4.298 4.527 -0.002 0.000 0.298 758 F C 2.389 178.163 175.800 -0.044 0.000 1.112 758 F CA 1.194 59.167 58.000 -0.045 0.000 1.212 758 F CB -0.235 38.716 39.000 -0.082 0.000 0.975 758 F HN -0.022 nan 8.300 nan 0.000 0.476 759 I N 0.611 121.220 120.570 0.065 0.000 2.179 759 I HA -0.274 3.895 4.170 -0.002 0.000 0.242 759 I C 2.321 178.316 176.117 -0.203 0.000 1.088 759 I CA 1.437 62.635 61.300 -0.170 0.000 1.357 759 I CB -1.346 36.670 38.000 0.028 0.000 1.051 759 I HN 0.214 nan 8.210 nan 0.000 0.409 760 K N 0.716 121.131 120.400 0.025 0.000 2.015 760 K HA -0.288 4.031 4.320 -0.002 0.000 0.216 760 K C 2.019 178.632 176.600 0.021 0.000 1.052 760 K CA 2.423 58.763 56.287 0.088 0.000 0.937 760 K CB -0.400 32.196 32.500 0.161 0.000 0.719 760 K HN 0.448 nan 8.250 nan 0.000 0.446 761 Q N 0.809 120.580 119.800 -0.048 0.000 2.170 761 Q HA -0.149 4.190 4.340 -0.002 0.000 0.203 761 Q C 2.147 178.057 176.000 -0.150 0.000 0.976 761 Q CA 1.909 57.660 55.803 -0.087 0.000 0.858 761 Q CB -1.176 27.504 28.738 -0.098 0.000 0.907 761 Q HN 0.369 nan 8.270 nan 0.000 0.433 762 c N -0.527 117.879 118.600 -0.323 0.000 2.432 762 c HA 0.065 4.634 4.570 -0.002 0.000 0.280 762 c C 1.265 175.303 174.090 -0.086 0.000 1.353 762 c CA 0.207 56.321 56.329 -0.358 0.000 1.766 762 c CB -1.153 40.955 42.510 -0.671 0.000 1.924 762 c HN 0.584 nan 8.230 nan 0.000 0.509 763 F N 1.813 121.730 119.950 -0.055 0.000 2.639 763 F HA 0.286 4.812 4.527 -0.002 0.000 0.300 763 F C 1.412 177.199 175.800 -0.022 0.000 1.109 763 F CA -0.157 57.829 58.000 -0.023 0.000 1.335 763 F CB -1.148 37.849 39.000 -0.006 0.000 1.014 763 F HN 0.127 nan 8.300 nan 0.000 0.537 764 S N 1.426 117.206 115.700 0.134 0.000 3.484 764 S HA -0.199 4.270 4.470 -0.002 0.000 0.384 764 S C -0.257 174.385 174.600 0.070 0.000 0.932 764 S CA 0.300 58.542 58.200 0.070 0.000 1.293 764 S CB -1.846 61.383 63.200 0.048 0.000 0.919 764 S HN 0.267 nan 8.310 nan 0.000 0.540 765 L N 1.397 122.669 121.223 0.082 0.000 2.386 765 L HA 0.651 4.990 4.340 -0.002 0.000 0.271 765 L C -1.703 175.208 176.870 0.067 0.000 0.993 765 L CA -1.983 52.903 54.840 0.076 0.000 0.819 765 L CB 1.651 43.774 42.059 0.105 0.000 1.294 765 L HN 0.101 nan 8.230 nan 0.000 0.414 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.132 63.100 0.054 0.000 0.800 766 P CB 0.000 31.722 31.700 0.036 0.000 0.726