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 3kwf_1_B 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 0.000 174.638 174.600 0.064 0.000 1.055 39 S CA 0.000 58.229 58.200 0.048 0.000 1.107 39 S CB 0.000 63.223 63.200 0.038 0.000 0.593 40 R N 3.058 123.606 120.500 0.080 0.000 2.756 40 R HA 0.253 4.593 4.340 0.000 0.000 0.264 40 R C 0.180 176.533 176.300 0.088 0.000 1.026 40 R CA 0.464 56.613 56.100 0.082 0.000 1.121 40 R CB 0.351 30.701 30.300 0.083 0.000 0.999 40 R HN 0.567 nan 8.270 nan 0.000 0.449 41 K N 0.419 120.873 120.400 0.090 0.000 2.380 41 K HA 0.048 4.368 4.320 0.000 0.000 0.267 41 K C -0.067 176.600 176.600 0.112 0.000 0.990 41 K CA -0.236 56.111 56.287 0.101 0.000 0.946 41 K CB 0.889 33.457 32.500 0.113 0.000 0.937 41 K HN 0.323 nan 8.250 nan 0.000 0.491 42 T N 0.695 115.323 114.554 0.122 0.000 2.897 42 T HA 0.122 4.472 4.350 0.000 0.000 0.278 42 T C -1.370 173.445 174.700 0.192 0.000 0.981 42 T CA -0.648 61.536 62.100 0.141 0.000 0.973 42 T CB 0.250 69.196 68.868 0.129 0.000 1.092 42 T HN 0.496 nan 8.240 nan 0.000 0.543 43 Y N 2.841 123.199 120.300 0.096 0.000 2.556 43 Y HA 0.342 4.892 4.550 0.000 0.000 0.352 43 Y C 0.940 176.994 175.900 0.256 0.000 1.006 43 Y CA -0.659 57.531 58.100 0.150 0.000 1.277 43 Y CB -0.246 38.264 38.460 0.084 0.000 1.136 43 Y HN 0.651 nan 8.280 nan 0.000 0.523 44 T N 2.059 116.607 114.554 -0.011 0.000 2.816 44 T HA 0.096 4.446 4.350 0.000 0.000 0.282 44 T C 1.068 175.729 174.700 -0.066 0.000 0.993 44 T CA -0.756 61.402 62.100 0.096 0.000 0.994 44 T CB 1.231 70.120 68.868 0.033 0.000 1.025 44 T HN 0.679 nan 8.240 nan 0.000 0.529 45 L N 1.163 122.231 121.223 -0.258 0.000 2.079 45 L HA -0.009 4.331 4.340 0.000 0.000 0.210 45 L C 2.660 179.406 176.870 -0.207 0.000 1.081 45 L CA 2.083 56.599 54.840 -0.540 0.000 0.752 45 L CB -1.384 40.228 42.059 -0.745 0.000 0.896 45 L HN 0.960 nan 8.230 nan 0.000 0.433 46 T N -0.659 113.802 114.554 -0.155 0.000 2.915 46 T HA -0.132 4.218 4.350 0.000 0.000 0.269 46 T C 1.411 176.034 174.700 -0.128 0.000 1.071 46 T CA 1.296 63.326 62.100 -0.116 0.000 1.132 46 T CB -0.262 68.558 68.868 -0.079 0.000 0.878 46 T HN 0.438 nan 8.240 nan 0.000 0.479 47 D N 0.049 120.340 120.400 -0.182 0.000 2.097 47 D HA -0.081 4.559 4.640 0.000 0.000 0.195 47 D C 1.704 177.939 176.300 -0.109 0.000 0.989 47 D CA 1.037 54.904 54.000 -0.222 0.000 0.827 47 D CB -0.327 40.225 40.800 -0.414 0.000 0.966 47 D HN 0.418 nan 8.370 nan 0.000 0.456 48 Y N 1.416 121.583 120.300 -0.222 0.000 2.109 48 Y HA -0.154 4.396 4.550 0.000 0.000 0.285 48 Y C 2.071 177.983 175.900 0.020 0.000 1.131 48 Y CA 0.949 59.075 58.100 0.044 0.000 1.121 48 Y CB -0.611 37.939 38.460 0.149 0.000 0.987 48 Y HN -0.169 nan 8.280 nan 0.000 0.495 49 L N 0.753 121.802 121.223 -0.290 0.000 2.079 49 L HA -0.185 4.155 4.340 0.000 0.000 0.210 49 L C 1.947 178.702 176.870 -0.192 0.000 1.081 49 L CA 1.849 56.489 54.840 -0.334 0.000 0.752 49 L CB -0.884 41.054 42.059 -0.200 0.000 0.896 49 L HN 0.209 nan 8.230 nan 0.000 0.433 50 K N -1.041 119.278 120.400 -0.135 0.000 2.372 50 K HA 0.124 4.444 4.320 0.000 0.000 0.200 50 K C 0.269 176.818 176.600 -0.084 0.000 1.022 50 K CA -0.047 56.182 56.287 -0.096 0.000 1.125 50 K CB -0.014 32.435 32.500 -0.084 0.000 0.855 50 K HN 0.264 nan 8.250 nan 0.000 0.524 51 N N 1.136 119.793 118.700 -0.071 0.000 2.725 51 N HA -0.212 4.528 4.740 0.000 0.000 0.251 51 N C -0.023 175.465 175.510 -0.037 0.000 1.031 51 N CA 0.321 53.362 53.050 -0.015 0.000 0.720 51 N CB -0.460 38.012 38.487 -0.025 0.000 0.930 51 N HN 0.138 nan 8.380 nan 0.000 0.543 52 T N -0.279 114.211 114.554 -0.106 0.000 2.708 52 T HA -0.153 4.197 4.350 0.000 0.000 0.266 52 T C 0.317 174.780 174.700 -0.394 0.000 1.037 52 T CA 1.385 63.291 62.100 -0.323 0.000 1.146 52 T CB -0.149 68.394 68.868 -0.542 0.000 0.865 52 T HN 0.382 nan 8.240 nan 0.000 0.435 53 Y N 3.014 123.398 120.300 0.141 0.000 2.595 53 Y HA 0.375 4.925 4.550 0.000 0.000 0.336 53 Y C 0.593 176.594 175.900 0.168 0.000 0.996 53 Y CA -1.349 56.855 58.100 0.173 0.000 1.260 53 Y CB 0.091 38.705 38.460 0.256 0.000 1.108 53 Y HN 0.101 nan 8.280 nan 0.000 0.509 54 R N 2.857 123.481 120.500 0.205 0.000 2.312 54 R HA 0.576 4.916 4.340 0.000 0.000 0.311 54 R C -1.152 175.249 176.300 0.169 0.000 1.004 54 R CA -0.713 55.484 56.100 0.162 0.000 0.902 54 R CB 0.961 31.313 30.300 0.088 0.000 1.073 54 R HN 0.577 nan 8.270 nan 0.000 0.457 55 L N 2.957 124.286 121.223 0.177 0.000 2.410 55 L HA 0.184 4.524 4.340 0.000 0.000 0.273 55 L C 0.308 177.255 176.870 0.129 0.000 1.152 55 L CA -0.206 54.738 54.840 0.173 0.000 0.855 55 L CB 0.450 42.630 42.059 0.202 0.000 1.129 55 L HN 0.526 nan 8.230 nan 0.000 0.463 56 K N 3.085 123.558 120.400 0.122 0.000 2.143 56 K HA 0.630 4.950 4.320 0.000 0.000 0.272 56 K C -0.658 175.974 176.600 0.053 0.000 1.001 56 K CA -0.148 56.185 56.287 0.077 0.000 0.915 56 K CB 1.028 33.569 32.500 0.069 0.000 1.047 56 K HN 0.343 nan 8.250 nan 0.000 0.458 57 L N 1.794 122.979 121.223 -0.064 0.000 2.304 57 L HA 0.511 4.851 4.340 0.000 0.000 0.268 57 L C -0.852 175.758 176.870 -0.434 0.000 1.010 57 L CA -1.072 53.611 54.840 -0.261 0.000 0.813 57 L CB 1.073 43.077 42.059 -0.092 0.000 1.315 57 L HN 0.543 nan 8.230 nan 0.000 0.445 58 Y N 0.264 120.037 120.300 -0.879 0.000 2.544 58 Y HA 0.286 4.836 4.550 0.000 0.000 0.347 58 Y C -0.580 175.181 175.900 -0.232 0.000 1.089 58 Y CA -0.534 57.275 58.100 -0.485 0.000 1.230 58 Y CB 1.156 39.212 38.460 -0.674 0.000 1.101 58 Y HN 0.434 nan 8.280 nan 0.000 0.641 59 S N 5.910 121.534 115.700 -0.127 0.000 2.422 59 S HA 0.442 4.912 4.470 0.000 0.000 0.283 59 S C -0.271 174.268 174.600 -0.101 0.000 1.163 59 S CA -0.517 57.638 58.200 -0.076 0.000 1.054 59 S CB -0.119 63.036 63.200 -0.075 0.000 0.967 59 S HN 0.583 nan 8.310 nan 0.000 0.499 60 L N 1.762 122.901 121.223 -0.141 0.000 2.313 60 L HA 0.752 5.092 4.340 0.000 0.000 0.268 60 L C -0.736 176.033 176.870 -0.168 0.000 1.010 60 L CA -1.065 53.641 54.840 -0.223 0.000 0.814 60 L CB 1.403 43.032 42.059 -0.716 0.000 1.304 60 L HN 0.444 nan 8.230 nan 0.000 0.441 61 R N 1.551 122.002 120.500 -0.081 0.000 2.435 61 R HA 0.373 4.713 4.340 0.000 0.000 0.308 61 R C -1.574 174.779 176.300 0.089 0.000 0.975 61 R CA -0.386 55.731 56.100 0.029 0.000 0.867 61 R CB 1.282 31.637 30.300 0.092 0.000 1.171 61 R HN 0.628 nan 8.270 nan 0.000 0.470 62 W N 3.328 124.730 121.300 0.170 0.000 2.264 62 W HA 0.059 4.719 4.660 0.000 0.000 0.331 62 W C 1.041 177.658 176.519 0.164 0.000 1.364 62 W CA -0.132 57.335 57.345 0.204 0.000 1.253 62 W CB 0.389 29.966 29.460 0.196 0.000 1.215 62 W HN 0.549 nan 8.180 nan 0.000 0.561 63 I N 2.436 123.265 120.570 0.431 0.000 4.227 63 I HA 0.046 4.216 4.170 0.000 0.000 0.334 63 I C 0.580 176.838 176.117 0.235 0.000 1.341 63 I CA 0.512 61.959 61.300 0.245 0.000 1.123 63 I CB -0.135 37.938 38.000 0.123 0.000 1.097 63 I HN 0.385 nan 8.210 nan 0.000 0.399 64 S N -1.520 114.367 115.700 0.311 0.000 2.761 64 S HA 0.148 4.618 4.470 0.000 0.000 0.290 64 S C 0.100 174.877 174.600 0.296 0.000 1.222 64 S CA 0.027 58.392 58.200 0.275 0.000 0.954 64 S CB 0.176 63.544 63.200 0.280 0.000 1.281 64 S HN 0.055 nan 8.310 nan 0.000 0.527 65 D N 0.319 120.901 120.400 0.303 0.000 2.347 65 D HA -0.016 4.624 4.640 0.000 0.000 0.215 65 D C 0.980 177.545 176.300 0.441 0.000 0.976 65 D CA 1.825 55.980 54.000 0.258 0.000 0.884 65 D CB -0.781 40.127 40.800 0.180 0.000 0.915 65 D HN 0.977 nan 8.370 nan 0.000 0.526 66 H N -3.276 116.000 119.070 0.343 0.000 3.787 66 H HA 0.446 5.002 4.556 0.000 0.000 0.262 66 H C -0.144 175.377 175.328 0.321 0.000 1.181 66 H CA -0.653 55.625 56.048 0.384 0.000 1.159 66 H CB 0.373 30.330 29.762 0.326 0.000 1.563 66 H HN -0.052 nan 8.280 nan 0.000 0.699 67 E N 1.015 121.257 120.200 0.069 0.000 2.299 67 E HA 0.337 4.687 4.350 0.000 0.000 0.265 67 E C -1.596 175.166 176.600 0.271 0.000 0.911 67 E CA -1.441 54.952 56.400 -0.011 0.000 0.789 67 E CB 2.713 32.285 29.700 -0.212 0.000 1.246 67 E HN 0.351 nan 8.360 nan 0.000 0.427 68 Y N -1.044 119.273 120.300 0.029 0.000 2.588 68 Y HA 0.603 5.153 4.550 0.000 0.000 0.343 68 Y C -1.571 174.327 175.900 -0.002 0.000 1.065 68 Y CA -1.278 56.769 58.100 -0.088 0.000 1.038 68 Y CB 0.738 38.849 38.460 -0.582 0.000 1.297 68 Y HN 0.323 nan 8.280 nan 0.000 0.467 69 L N 2.758 124.119 121.223 0.231 0.000 2.360 69 L HA 0.551 4.891 4.340 0.000 0.000 0.271 69 L C -1.274 175.806 176.870 0.350 0.000 1.057 69 L CA -1.000 53.952 54.840 0.186 0.000 0.803 69 L CB 1.633 43.700 42.059 0.012 0.000 1.207 69 L HN 0.825 nan 8.230 nan 0.000 0.445 70 Y N 1.631 122.026 120.300 0.159 0.000 2.480 70 Y HA 0.299 4.849 4.550 0.000 0.000 0.329 70 Y C -0.880 175.049 175.900 0.049 0.000 1.127 70 Y CA -1.209 56.924 58.100 0.055 0.000 1.037 70 Y CB 1.547 40.012 38.460 0.008 0.000 1.320 70 Y HN 0.446 nan 8.280 nan 0.000 0.446 71 K N 4.498 124.482 120.400 -0.693 0.000 2.248 71 K HA 0.409 4.729 4.320 0.000 0.000 0.281 71 K C -1.201 175.067 176.600 -0.554 0.000 1.054 71 K CA -0.239 55.769 56.287 -0.465 0.000 0.903 71 K CB 0.866 33.185 32.500 -0.301 0.000 1.077 71 K HN 0.772 nan 8.250 nan 0.000 0.474 72 Q N 3.504 123.215 119.800 -0.147 0.000 2.274 72 Q HA 0.138 4.478 4.340 0.000 0.000 0.268 72 Q C -1.258 174.741 176.000 -0.001 0.000 1.015 72 Q CA -0.358 55.451 55.803 0.009 0.000 0.775 72 Q CB 1.361 30.240 28.738 0.235 0.000 1.256 72 Q HN 0.748 nan 8.270 nan 0.000 0.442 73 E N 2.754 122.948 120.200 -0.010 0.000 2.228 73 E HA -0.335 4.015 4.350 0.000 0.000 0.213 73 E C -0.347 176.234 176.600 -0.031 0.000 1.282 73 E CA 0.683 57.075 56.400 -0.015 0.000 0.707 73 E CB -1.083 28.618 29.700 0.001 0.000 1.150 73 E HN 0.873 nan 8.360 nan 0.000 0.362 74 N N -0.472 118.198 118.700 -0.050 0.000 2.653 74 N HA -0.236 4.504 4.740 0.000 0.000 0.248 74 N C -0.695 174.779 175.510 -0.060 0.000 1.154 74 N CA 1.432 54.449 53.050 -0.055 0.000 0.780 74 N CB -0.313 38.152 38.487 -0.037 0.000 1.155 74 N HN 0.418 nan 8.380 nan 0.000 0.570 75 N N 0.444 119.112 118.700 -0.054 0.000 2.529 75 N HA 0.230 4.970 4.740 0.000 0.000 0.278 75 N C 0.151 175.620 175.510 -0.068 0.000 1.146 75 N CA -0.003 53.015 53.050 -0.054 0.000 0.980 75 N CB 0.713 39.180 38.487 -0.032 0.000 1.124 75 N HN 0.198 nan 8.380 nan 0.000 0.458 76 I N 2.862 123.384 120.570 -0.079 0.000 2.325 76 I HA 0.194 4.364 4.170 0.000 0.000 0.291 76 I C 0.168 176.305 176.117 0.034 0.000 1.019 76 I CA -0.327 60.922 61.300 -0.085 0.000 1.302 76 I CB 0.491 38.358 38.000 -0.223 0.000 1.401 76 I HN 0.169 nan 8.210 nan 0.000 0.485 77 L N 6.780 128.050 121.223 0.079 0.000 2.331 77 L HA 0.584 4.924 4.340 0.000 0.000 0.275 77 L C -0.438 176.488 176.870 0.093 0.000 1.022 77 L CA -1.112 53.770 54.840 0.070 0.000 0.812 77 L CB 1.902 43.994 42.059 0.054 0.000 1.257 77 L HN 0.242 nan 8.230 nan 0.000 0.435 78 V N 1.539 121.447 119.914 -0.011 0.000 2.394 78 V HA 0.387 4.507 4.120 0.000 0.000 0.282 78 V C -0.457 175.480 176.094 -0.261 0.000 1.031 78 V CA -0.399 61.876 62.300 -0.041 0.000 0.881 78 V CB 1.075 32.919 31.823 0.034 0.000 0.982 78 V HN 0.344 nan 8.190 nan 0.000 0.451 79 F N 2.829 122.512 119.950 -0.445 0.000 2.450 79 F HA 0.422 4.949 4.527 0.000 0.000 0.332 79 F C 0.649 176.136 175.800 -0.523 0.000 1.093 79 F CA -0.618 57.030 58.000 -0.587 0.000 1.003 79 F CB 1.368 39.715 39.000 -1.088 0.000 1.151 79 F HN 0.468 nan 8.300 nan 0.000 0.474 80 N N 2.029 120.641 118.700 -0.148 0.000 2.422 80 N HA 0.235 4.975 4.740 0.000 0.000 0.264 80 N C 0.434 175.892 175.510 -0.087 0.000 1.063 80 N CA 0.158 53.158 53.050 -0.084 0.000 0.959 80 N CB 1.726 40.239 38.487 0.044 0.000 1.087 80 N HN 0.791 nan 8.380 nan 0.000 0.483 81 A N 3.837 126.559 122.820 -0.163 0.000 1.898 81 A HA -0.142 4.178 4.320 0.000 0.000 0.216 81 A C 1.859 179.200 177.584 -0.404 0.000 1.181 81 A CA 1.324 53.188 52.037 -0.288 0.000 0.620 81 A CB -0.481 18.207 19.000 -0.519 0.000 0.819 81 A HN 0.772 nan 8.150 nan 0.000 0.442 82 E N -1.201 118.729 120.200 -0.451 0.000 2.110 82 E HA -0.169 4.181 4.350 0.000 0.000 0.193 82 E C 1.315 177.615 176.600 -0.499 0.000 0.988 82 E CA 1.746 57.884 56.400 -0.438 0.000 0.804 82 E CB -0.294 29.101 29.700 -0.509 0.000 0.745 82 E HN 0.718 nan 8.360 nan 0.000 0.458 83 Y N -2.417 117.880 120.300 -0.004 0.000 2.581 83 Y HA 0.367 4.917 4.550 0.000 0.000 0.271 83 Y C 1.782 177.682 175.900 -0.001 0.000 1.100 83 Y CA 0.483 58.586 58.100 0.005 0.000 1.281 83 Y CB 0.816 39.283 38.460 0.012 0.000 1.237 83 Y HN 0.149 nan 8.280 nan 0.000 0.514 84 G N 0.527 109.404 108.800 0.129 0.000 2.213 84 G HA2 -0.286 3.674 3.960 0.000 0.000 0.236 84 G HA3 -0.286 3.674 3.960 0.000 0.000 0.236 84 G C 0.075 175.052 174.900 0.128 0.000 0.991 84 G CA 0.009 45.187 45.100 0.129 0.000 0.629 84 G HN 0.432 nan 8.290 nan 0.000 0.517 85 N N 1.011 119.751 118.700 0.066 0.000 2.492 85 N HA 0.434 5.174 4.740 0.000 0.000 0.260 85 N C -0.009 175.377 175.510 -0.207 0.000 1.215 85 N CA 0.951 53.974 53.050 -0.045 0.000 0.923 85 N CB 1.309 39.776 38.487 -0.033 0.000 1.092 85 N HN 0.928 nan 8.380 nan 0.000 0.448 86 S N 0.311 115.794 115.700 -0.362 0.000 2.570 86 S HA 0.710 5.180 4.470 0.000 0.000 0.286 86 S C -0.752 173.626 174.600 -0.370 0.000 1.099 86 S CA -0.850 56.977 58.200 -0.623 0.000 0.913 86 S CB 1.660 63.988 63.200 -1.452 0.000 1.085 86 S HN 0.633 nan 8.310 nan 0.000 0.480 87 S N 0.238 115.751 115.700 -0.312 0.000 2.709 87 S HA 0.685 5.155 4.470 0.000 0.000 0.302 87 S C -0.837 173.675 174.600 -0.147 0.000 1.127 87 S CA -0.775 57.315 58.200 -0.184 0.000 0.905 87 S CB 1.628 64.754 63.200 -0.123 0.000 1.151 87 S HN 1.160 nan 8.310 nan 0.000 0.510 88 V N 2.456 122.310 119.914 -0.099 0.000 2.385 88 V HA 0.412 4.532 4.120 0.000 0.000 0.269 88 V C 0.230 176.305 176.094 -0.031 0.000 1.043 88 V CA -0.249 62.015 62.300 -0.059 0.000 0.906 88 V CB 0.208 31.988 31.823 -0.072 0.000 0.995 88 V HN 0.890 nan 8.190 nan 0.000 0.467 89 F N 6.299 126.186 119.950 -0.106 0.000 2.187 89 F HA 0.329 4.856 4.527 -0.000 0.000 0.295 89 F C 0.614 176.358 175.800 -0.094 0.000 1.091 89 F CA 1.128 59.074 58.000 -0.091 0.000 1.308 89 F CB 0.496 39.448 39.000 -0.080 0.000 1.030 89 F HN 0.401 nan 8.300 nan 0.000 0.487 90 L N 1.740 122.992 121.223 0.047 0.000 2.580 90 L HA 0.290 4.630 4.340 0.000 0.000 0.266 90 L C -1.285 175.532 176.870 -0.089 0.000 0.955 90 L CA -0.561 54.250 54.840 -0.048 0.000 0.886 90 L CB 1.400 43.501 42.059 0.069 0.000 1.263 90 L HN 0.000 nan 8.230 nan 0.000 0.406 91 E N 2.243 122.357 120.200 -0.142 0.000 2.398 91 E HA 0.049 4.399 4.350 0.000 0.000 0.263 91 E C 0.979 177.501 176.600 -0.131 0.000 1.046 91 E CA -0.045 56.279 56.400 -0.128 0.000 0.908 91 E CB 0.523 30.141 29.700 -0.137 0.000 0.963 91 E HN 0.622 nan 8.360 nan 0.000 0.431 92 N N 0.884 119.529 118.700 -0.092 0.000 2.309 92 N HA -0.210 4.530 4.740 0.000 0.000 0.182 92 N C 1.142 176.604 175.510 -0.080 0.000 1.018 92 N CA 1.400 54.407 53.050 -0.071 0.000 0.876 92 N CB -0.492 37.965 38.487 -0.049 0.000 0.972 92 N HN 0.414 nan 8.380 nan 0.000 0.434 93 S N -1.261 114.380 115.700 -0.099 0.000 2.453 93 S HA -0.035 4.435 4.470 0.000 0.000 0.231 93 S C 0.654 175.159 174.600 -0.158 0.000 1.005 93 S CA 0.146 58.286 58.200 -0.100 0.000 0.949 93 S CB -1.180 61.967 63.200 -0.088 0.000 0.774 93 S HN 0.306 nan 8.310 nan 0.000 0.510 94 T N 2.752 117.144 114.554 -0.270 0.000 2.930 94 T HA 0.323 4.673 4.350 0.000 0.000 0.306 94 T C -0.159 174.257 174.700 -0.473 0.000 1.045 94 T CA -0.179 61.595 62.100 -0.543 0.000 1.134 94 T CB -0.445 67.893 68.868 -0.884 0.000 0.961 94 T HN 0.370 nan 8.240 nan 0.000 0.545 95 F N 0.405 120.279 119.950 -0.127 0.000 3.039 95 F HA -0.166 4.361 4.527 0.000 0.000 0.287 95 F C 0.715 176.500 175.800 -0.024 0.000 0.956 95 F CA -0.125 57.822 58.000 -0.088 0.000 0.971 95 F CB -2.406 36.438 39.000 -0.261 0.000 0.943 95 F HN 0.593 nan 8.300 nan 0.000 0.766 96 D N -0.095 120.357 120.400 0.088 0.000 2.338 96 D HA -0.000 4.640 4.640 0.000 0.000 0.208 96 D C 1.842 178.191 176.300 0.081 0.000 0.997 96 D CA 0.785 54.824 54.000 0.064 0.000 0.880 96 D CB 0.111 40.916 40.800 0.008 0.000 0.980 96 D HN 0.669 nan 8.370 nan 0.000 0.509 97 E N -0.718 119.541 120.200 0.098 0.000 2.476 97 E HA 0.016 4.366 4.350 0.000 0.000 0.196 97 E C 1.100 177.770 176.600 0.117 0.000 1.029 97 E CA -0.281 56.164 56.400 0.074 0.000 0.896 97 E CB 0.149 29.878 29.700 0.047 0.000 1.012 97 E HN 0.029 nan 8.360 nan 0.000 0.475 98 F N 0.599 120.568 119.950 0.031 0.000 2.134 98 F HA -0.037 4.490 4.527 0.000 0.000 0.299 98 F C 1.709 177.450 175.800 -0.098 0.000 1.097 98 F CA 2.174 60.181 58.000 0.013 0.000 1.264 98 F CB -0.003 39.018 39.000 0.034 0.000 1.001 98 F HN 0.164 nan 8.300 nan 0.000 0.479 99 G N -0.652 108.053 108.800 -0.158 0.000 2.157 99 G HA2 -0.260 3.700 3.960 0.000 0.000 0.239 99 G HA3 -0.260 3.700 3.960 0.000 0.000 0.239 99 G C -0.166 174.350 174.900 -0.640 0.000 0.982 99 G CA 0.210 45.065 45.100 -0.409 0.000 0.650 99 G HN 0.664 nan 8.290 nan 0.000 0.527 100 H N -0.847 118.192 119.070 -0.052 0.000 3.012 100 H HA 0.641 5.197 4.556 0.000 0.000 0.367 100 H C -0.229 175.212 175.328 0.188 0.000 1.211 100 H CA -0.008 56.068 56.048 0.046 0.000 1.139 100 H CB 1.616 31.337 29.762 -0.068 0.000 1.838 100 H HN 0.247 nan 8.280 nan 0.000 0.550 101 S N 1.973 117.832 115.700 0.265 0.000 2.455 101 S HA 0.213 4.683 4.470 0.000 0.000 0.278 101 S C 0.024 174.718 174.600 0.157 0.000 1.216 101 S CA -0.656 57.644 58.200 0.166 0.000 1.055 101 S CB -0.456 62.809 63.200 0.110 0.000 0.939 101 S HN 0.423 nan 8.310 nan 0.000 0.494 102 I N 6.434 127.037 120.570 0.055 0.000 2.421 102 I HA 0.056 4.226 4.170 0.000 0.000 0.291 102 I C 1.859 177.967 176.117 -0.016 0.000 1.089 102 I CA -0.214 61.066 61.300 -0.035 0.000 1.354 102 I CB 0.320 38.177 38.000 -0.237 0.000 1.413 102 I HN 0.776 nan 8.210 nan 0.000 0.513 103 N N 4.130 122.823 118.700 -0.012 0.000 2.216 103 N HA -0.100 4.640 4.740 0.000 0.000 0.183 103 N C 0.221 175.667 175.510 -0.107 0.000 1.017 103 N CA 1.203 54.202 53.050 -0.085 0.000 0.861 103 N CB 0.431 38.840 38.487 -0.129 0.000 0.986 103 N HN 0.661 nan 8.380 nan 0.000 0.428 104 D N -2.042 118.322 120.400 -0.060 0.000 2.671 104 D HA 0.183 4.823 4.640 0.000 0.000 0.273 104 D C -1.559 174.757 176.300 0.027 0.000 1.264 104 D CA -0.488 53.469 54.000 -0.071 0.000 0.788 104 D CB 0.819 41.541 40.800 -0.130 0.000 1.324 104 D HN 0.103 nan 8.370 nan 0.000 0.424 105 Y N -1.057 119.248 120.300 0.009 0.000 2.570 105 Y HA 0.796 5.346 4.550 0.000 0.000 0.345 105 Y C -0.845 175.124 175.900 0.116 0.000 1.014 105 Y CA -1.031 57.099 58.100 0.049 0.000 1.063 105 Y CB 1.897 40.373 38.460 0.026 0.000 1.272 105 Y HN 0.146 nan 8.280 nan 0.000 0.477 106 S N 2.294 118.193 115.700 0.331 0.000 2.668 106 S HA 0.616 5.086 4.470 0.000 0.000 0.277 106 S C -1.532 173.416 174.600 0.580 0.000 1.170 106 S CA -0.538 57.878 58.200 0.359 0.000 0.994 106 S CB 0.302 63.675 63.200 0.288 0.000 1.051 106 S HN 0.679 nan 8.310 nan 0.000 0.484 107 I N 4.348 125.146 120.570 0.380 0.000 2.359 107 I HA 0.310 4.480 4.170 0.000 0.000 0.294 107 I C 0.801 176.785 176.117 -0.223 0.000 0.987 107 I CA -0.523 60.881 61.300 0.174 0.000 1.225 107 I CB 1.931 39.979 38.000 0.080 0.000 1.366 107 I HN 0.769 nan 8.210 nan 0.000 0.466 108 S N 5.952 121.199 115.700 -0.755 0.000 2.558 108 S HA 0.056 4.526 4.470 0.000 0.000 0.287 108 S C -1.900 172.436 174.600 -0.440 0.000 1.321 108 S CA -0.835 56.623 58.200 -1.236 0.000 1.048 108 S CB 0.298 62.791 63.200 -1.180 0.000 0.844 108 S HN 0.418 nan 8.310 nan 0.000 0.512 109 P HA -0.075 nan 4.420 nan 0.000 0.210 109 P C -0.319 176.954 177.300 -0.044 0.000 1.185 109 P CA 1.270 64.314 63.100 -0.093 0.000 0.924 109 P CB -0.259 31.405 31.700 -0.060 0.000 0.786 110 D N -0.430 119.949 120.400 -0.035 0.000 2.383 110 D HA 0.277 4.917 4.640 0.000 0.000 0.245 110 D C 0.831 177.132 176.300 0.003 0.000 1.263 110 D CA 0.203 54.212 54.000 0.015 0.000 0.936 110 D CB -0.635 40.193 40.800 0.046 0.000 1.053 110 D HN 0.016 nan 8.370 nan 0.000 0.507 111 G N 2.193 111.003 108.800 0.016 0.000 3.003 111 G HA2 -0.063 3.897 3.960 0.000 0.000 0.266 111 G HA3 -0.063 3.897 3.960 0.000 0.000 0.266 111 G C 0.646 175.546 174.900 0.001 0.000 0.755 111 G CA -0.224 44.897 45.100 0.034 0.000 2.061 111 G HN 0.437 nan 8.290 nan 0.000 0.599 112 Q N -0.162 119.566 119.800 -0.119 0.000 2.378 112 Q HA 0.249 4.589 4.340 0.000 0.000 0.216 112 Q C -0.336 175.259 176.000 -0.674 0.000 0.892 112 Q CA 0.388 55.948 55.803 -0.404 0.000 0.931 112 Q CB 0.880 29.280 28.738 -0.563 0.000 1.086 112 Q HN 0.565 nan 8.270 nan 0.000 0.528 113 F N -0.152 119.748 119.950 -0.084 0.000 2.650 113 F HA 0.574 5.101 4.527 0.000 0.000 0.320 113 F C -0.640 175.267 175.800 0.177 0.000 1.091 113 F CA -1.298 56.733 58.000 0.051 0.000 0.962 113 F CB 1.893 40.947 39.000 0.091 0.000 1.363 113 F HN -0.216 nan 8.300 nan 0.000 0.482 114 I N 2.060 122.993 120.570 0.605 0.000 2.656 114 I HA 0.427 4.597 4.170 0.000 0.000 0.292 114 I C -1.798 174.660 176.117 0.569 0.000 1.144 114 I CA -0.675 60.967 61.300 0.571 0.000 1.038 114 I CB 1.739 40.016 38.000 0.462 0.000 1.244 114 I HN 0.461 nan 8.210 nan 0.000 0.420 115 L N 7.653 129.212 121.223 0.559 0.000 2.281 115 L HA 0.384 4.724 4.340 0.000 0.000 0.285 115 L C -0.751 176.263 176.870 0.241 0.000 1.074 115 L CA -0.574 54.470 54.840 0.340 0.000 0.817 115 L CB 1.065 43.242 42.059 0.197 0.000 1.168 115 L HN 0.502 nan 8.230 nan 0.000 0.434 116 L N 4.724 126.031 121.223 0.139 0.000 2.272 116 L HA 0.343 4.683 4.340 0.000 0.000 0.284 116 L C 0.265 177.169 176.870 0.056 0.000 1.045 116 L CA -0.260 54.556 54.840 -0.039 0.000 0.842 116 L CB 0.988 42.793 42.059 -0.423 0.000 1.224 116 L HN 0.589 nan 8.230 nan 0.000 0.430 117 E N 4.269 124.470 120.200 0.003 0.000 2.223 117 E HA 0.265 4.615 4.350 0.000 0.000 0.282 117 E C -1.348 175.191 176.600 -0.101 0.000 1.046 117 E CA -0.329 55.920 56.400 -0.250 0.000 0.857 117 E CB 0.610 30.273 29.700 -0.061 0.000 1.055 117 E HN 0.446 nan 8.360 nan 0.000 0.409 118 Y N 1.974 122.082 120.300 -0.320 0.000 2.677 118 Y HA 0.410 4.960 4.550 -0.000 0.000 0.334 118 Y C -0.120 175.686 175.900 -0.156 0.000 1.154 118 Y CA -1.610 56.401 58.100 -0.150 0.000 1.070 118 Y CB 0.611 39.056 38.460 -0.025 0.000 1.294 118 Y HN 0.473 nan 8.280 nan 0.000 0.475 119 N N -0.093 118.599 118.700 -0.014 0.000 2.735 119 N HA -0.304 4.436 4.740 0.000 0.000 0.248 119 N C -0.918 174.557 175.510 -0.058 0.000 1.083 119 N CA 1.041 54.047 53.050 -0.074 0.000 0.703 119 N CB -1.566 36.785 38.487 -0.228 0.000 1.005 119 N HN 0.868 nan 8.380 nan 0.000 0.550 120 Y N 0.166 120.393 120.300 -0.122 0.000 2.805 120 Y HA 0.195 4.745 4.550 0.000 0.000 0.331 120 Y C 0.055 175.925 175.900 -0.050 0.000 1.241 120 Y CA 0.201 58.244 58.100 -0.095 0.000 1.546 120 Y CB 0.613 38.969 38.460 -0.172 0.000 1.248 120 Y HN -0.008 nan 8.280 nan 0.000 0.559 121 V N 8.085 127.679 119.914 -0.533 0.000 2.482 121 V HA 0.206 4.326 4.120 0.000 0.000 0.295 121 V C -0.309 175.384 176.094 -0.667 0.000 1.026 121 V CA -1.442 60.572 62.300 -0.477 0.000 0.856 121 V CB 1.397 33.086 31.823 -0.224 0.000 1.001 121 V HN 0.750 nan 8.190 nan 0.000 0.424 122 K N 3.672 123.671 120.400 -0.668 0.000 2.382 122 K HA 0.228 4.548 4.320 0.000 0.000 0.275 122 K C 0.456 176.872 176.600 -0.307 0.000 1.009 122 K CA 0.179 56.215 56.287 -0.419 0.000 0.970 122 K CB 1.172 33.616 32.500 -0.094 0.000 0.934 122 K HN 0.819 nan 8.250 nan 0.000 0.479 123 Q N 2.981 122.585 119.800 -0.328 0.000 2.429 123 Q HA 0.167 4.507 4.340 0.000 0.000 0.230 123 Q C -0.100 175.616 176.000 -0.473 0.000 0.970 123 Q CA -0.275 55.142 55.803 -0.643 0.000 0.778 123 Q CB 0.100 28.296 28.738 -0.903 0.000 2.016 123 Q HN 0.721 nan 8.270 nan 0.000 0.543 124 W N -0.060 121.222 121.300 -0.030 0.000 2.090 124 W HA 0.409 5.069 4.660 -0.000 0.000 0.609 124 W C 1.743 178.229 176.519 -0.056 0.000 1.671 124 W CA -0.822 56.527 57.345 0.007 0.000 1.756 124 W CB -0.126 29.305 29.460 -0.049 0.000 2.998 124 W HN 0.250 nan 8.180 nan 0.000 0.761 125 R N -0.519 120.054 120.500 0.123 0.000 2.091 125 R HA -0.185 4.155 4.340 0.000 0.000 0.238 125 R C 1.603 177.715 176.300 -0.313 0.000 1.136 125 R CA 2.316 58.309 56.100 -0.178 0.000 0.959 125 R CB -0.417 29.636 30.300 -0.413 0.000 0.856 125 R HN 0.570 nan 8.270 nan 0.000 0.437 126 H N -1.524 117.612 119.070 0.110 0.000 2.695 126 H HA 0.178 4.734 4.556 0.000 0.000 0.267 126 H C 0.489 175.914 175.328 0.160 0.000 0.973 126 H CA 0.241 56.381 56.048 0.153 0.000 1.223 126 H CB 0.453 30.285 29.762 0.117 0.000 1.442 126 H HN 0.125 nan 8.280 nan 0.000 0.478 127 S N 1.124 116.812 115.700 -0.020 0.000 2.572 127 S HA 0.310 4.780 4.470 0.000 0.000 0.279 127 S C -0.457 174.019 174.600 -0.206 0.000 1.341 127 S CA -0.464 57.404 58.200 -0.552 0.000 1.043 127 S CB 0.432 62.790 63.200 -1.404 0.000 0.887 127 S HN 0.495 nan 8.310 nan 0.000 0.516 128 Y N -2.373 117.772 120.300 -0.258 0.000 2.779 128 Y HA 0.720 5.270 4.550 0.000 0.000 0.340 128 Y C -0.960 174.925 175.900 -0.026 0.000 1.252 128 Y CA -1.161 56.803 58.100 -0.227 0.000 1.072 128 Y CB 0.875 39.166 38.460 -0.281 0.000 1.343 128 Y HN 0.615 nan 8.280 nan 0.000 0.450 129 T N 1.176 115.781 114.554 0.086 0.000 2.893 129 T HA 0.906 5.256 4.350 0.000 0.000 0.293 129 T C -1.061 173.712 174.700 0.122 0.000 1.027 129 T CA 0.114 62.261 62.100 0.078 0.000 0.988 129 T CB 1.358 70.222 68.868 -0.007 0.000 1.043 129 T HN 1.243 nan 8.240 nan 0.000 0.461 130 A N 1.960 124.844 122.820 0.106 0.000 2.568 130 A HA 0.875 5.195 4.320 0.000 0.000 0.291 130 A C -0.938 176.458 177.584 -0.313 0.000 1.159 130 A CA -0.720 51.246 52.037 -0.119 0.000 0.679 130 A CB 1.314 20.228 19.000 -0.142 0.000 1.285 130 A HN 0.675 nan 8.150 nan 0.000 0.428 131 S N -0.990 114.265 115.700 -0.742 0.000 2.621 131 S HA 0.805 5.275 4.470 0.000 0.000 0.302 131 S C -1.653 172.272 174.600 -1.125 0.000 1.093 131 S CA -0.126 57.562 58.200 -0.854 0.000 1.017 131 S CB 0.860 63.329 63.200 -1.219 0.000 1.077 131 S HN 0.456 nan 8.310 nan 0.000 0.517 132 Y N 0.214 120.314 120.300 -0.334 0.000 2.433 132 Y HA 0.395 4.945 4.550 0.000 0.000 0.337 132 Y C -0.481 175.474 175.900 0.092 0.000 1.026 132 Y CA -0.873 57.172 58.100 -0.092 0.000 1.037 132 Y CB 1.635 39.974 38.460 -0.202 0.000 1.245 132 Y HN 0.516 nan 8.280 nan 0.000 0.443 133 D N 3.295 123.913 120.400 0.364 0.000 2.252 133 D HA 0.564 5.204 4.640 0.000 0.000 0.245 133 D C -0.637 175.797 176.300 0.225 0.000 1.009 133 D CA -0.304 53.870 54.000 0.290 0.000 0.870 133 D CB 2.615 43.643 40.800 0.380 0.000 1.251 133 D HN 0.401 nan 8.370 nan 0.000 0.460 134 I N 1.369 122.069 120.570 0.217 0.000 2.460 134 I HA 0.273 4.443 4.170 0.000 0.000 0.298 134 I C -0.890 175.457 176.117 0.382 0.000 0.989 134 I CA -0.979 60.489 61.300 0.280 0.000 1.173 134 I CB 1.519 39.633 38.000 0.190 0.000 1.338 134 I HN 0.239 nan 8.210 nan 0.000 0.456 135 Y N 4.879 125.375 120.300 0.327 0.000 2.326 135 Y HA 0.304 4.854 4.550 0.000 0.000 0.331 135 Y C -0.391 175.708 175.900 0.332 0.000 0.962 135 Y CA -0.864 57.430 58.100 0.323 0.000 1.167 135 Y CB 1.146 39.827 38.460 0.368 0.000 1.148 135 Y HN 0.494 nan 8.280 nan 0.000 0.463 136 D N 6.241 126.516 120.400 -0.208 0.000 2.342 136 D HA 0.053 4.693 4.640 0.000 0.000 0.260 136 D C 0.719 176.647 176.300 -0.620 0.000 1.278 136 D CA 0.565 54.362 54.000 -0.338 0.000 0.910 136 D CB 0.887 41.562 40.800 -0.207 0.000 1.079 136 D HN 0.883 nan 8.370 nan 0.000 0.496 137 L N 3.660 124.633 121.223 -0.416 0.000 2.109 137 L HA -0.083 4.257 4.340 0.000 0.000 0.207 137 L C 2.162 178.873 176.870 -0.264 0.000 1.086 137 L CA 0.619 55.328 54.840 -0.220 0.000 0.760 137 L CB -0.182 41.804 42.059 -0.121 0.000 0.910 137 L HN 0.465 nan 8.230 nan 0.000 0.437 138 N N -0.523 117.980 118.700 -0.328 0.000 2.270 138 N HA -0.086 4.654 4.740 0.000 0.000 0.181 138 N C 0.678 176.064 175.510 -0.208 0.000 1.016 138 N CA 0.724 53.624 53.050 -0.249 0.000 0.870 138 N CB 0.287 38.624 38.487 -0.250 0.000 0.979 138 N HN 0.378 nan 8.380 nan 0.000 0.431 139 K N 0.571 120.825 120.400 -0.244 0.000 2.761 139 K HA 0.238 4.558 4.320 0.000 0.000 0.286 139 K C 0.965 177.436 176.600 -0.216 0.000 1.019 139 K CA -0.343 55.826 56.287 -0.196 0.000 1.070 139 K CB 0.412 32.806 32.500 -0.176 0.000 1.387 139 K HN 0.023 nan 8.250 nan 0.000 0.509 140 R N 0.364 120.763 120.500 -0.168 0.000 2.397 140 R HA 0.118 4.458 4.340 0.000 0.000 0.241 140 R C 0.169 176.390 176.300 -0.131 0.000 0.914 140 R CA 0.013 56.056 56.100 -0.096 0.000 1.071 140 R CB 0.362 30.647 30.300 -0.024 0.000 1.116 140 R HN 0.418 nan 8.270 nan 0.000 0.524 141 Q N 1.099 120.716 119.800 -0.305 0.000 2.257 141 Q HA 0.418 4.758 4.340 0.000 0.000 0.262 141 Q C -0.718 175.199 176.000 -0.137 0.000 0.997 141 Q CA -0.776 54.951 55.803 -0.127 0.000 0.873 141 Q CB 2.454 31.157 28.738 -0.058 0.000 1.312 141 Q HN 0.068 nan 8.270 nan 0.000 0.450 142 L N 2.651 123.980 121.223 0.177 0.000 2.349 142 L HA 0.270 4.610 4.340 0.000 0.000 0.275 142 L C 0.170 177.130 176.870 0.150 0.000 1.115 142 L CA -0.682 54.319 54.840 0.268 0.000 0.820 142 L CB 0.348 42.616 42.059 0.348 0.000 1.135 142 L HN 0.586 nan 8.230 nan 0.000 0.445 143 I N -0.184 120.478 120.570 0.153 0.000 2.517 143 I HA 0.126 4.296 4.170 0.000 0.000 0.285 143 I C 0.793 176.962 176.117 0.087 0.000 1.106 143 I CA 0.412 61.775 61.300 0.104 0.000 1.402 143 I CB 0.904 38.962 38.000 0.097 0.000 1.399 143 I HN 0.514 nan 8.210 nan 0.000 0.535 144 T N 3.356 117.945 114.554 0.058 0.000 3.022 144 T HA 0.209 4.559 4.350 0.000 0.000 0.250 144 T C 0.367 175.075 174.700 0.014 0.000 1.060 144 T CA 0.301 62.426 62.100 0.042 0.000 1.013 144 T CB -0.286 68.603 68.868 0.036 0.000 0.982 144 T HN 0.709 nan 8.240 nan 0.000 0.508 145 E N 1.679 121.883 120.200 0.007 0.000 2.191 145 E HA 0.360 4.710 4.350 0.000 0.000 0.274 145 E C -0.478 176.102 176.600 -0.033 0.000 0.948 145 E CA -0.704 55.687 56.400 -0.014 0.000 0.802 145 E CB 0.776 30.471 29.700 -0.008 0.000 1.137 145 E HN 0.008 nan 8.360 nan 0.000 0.397 146 E N 1.450 121.616 120.200 -0.057 0.000 2.252 146 E HA -0.251 4.099 4.350 0.000 0.000 0.218 146 E C -0.715 175.820 176.600 -0.109 0.000 1.253 146 E CA 0.661 57.009 56.400 -0.086 0.000 0.705 146 E CB -1.269 28.389 29.700 -0.071 0.000 1.172 146 E HN 0.500 nan 8.360 nan 0.000 0.369 147 R N -0.180 120.247 120.500 -0.121 0.000 2.694 147 R HA 0.306 4.646 4.340 0.000 0.000 0.268 147 R C 1.138 177.276 176.300 -0.271 0.000 1.061 147 R CA -0.464 55.551 56.100 -0.142 0.000 1.133 147 R CB 0.481 30.723 30.300 -0.096 0.000 1.020 147 R HN 0.145 nan 8.270 nan 0.000 0.475 148 I N 4.878 125.245 120.570 -0.339 0.000 2.683 148 I HA -0.024 4.146 4.170 0.000 0.000 0.286 148 I C -1.530 174.281 176.117 -0.511 0.000 1.175 148 I CA -1.223 59.703 61.300 -0.623 0.000 1.429 148 I CB 0.234 37.846 38.000 -0.645 0.000 1.371 148 I HN 0.331 nan 8.210 nan 0.000 0.569 149 P HA 0.047 nan 4.420 nan 0.000 0.270 149 P C -0.877 176.221 177.300 -0.337 0.000 1.223 149 P CA -0.315 62.404 63.100 -0.635 0.000 0.785 149 P CB 0.370 31.266 31.700 -1.340 0.000 0.923 150 N N 1.945 120.527 118.700 -0.197 0.000 2.415 150 N HA -0.004 4.736 4.740 0.000 0.000 0.248 150 N C 0.729 176.315 175.510 0.127 0.000 1.271 150 N CA 0.251 53.255 53.050 -0.077 0.000 0.913 150 N CB -0.564 37.885 38.487 -0.062 0.000 1.129 150 N HN 0.418 nan 8.380 nan 0.000 0.444 151 N N -1.551 117.205 118.700 0.093 0.000 2.776 151 N HA -0.160 4.580 4.740 0.000 0.000 0.250 151 N C -0.842 174.836 175.510 0.280 0.000 1.112 151 N CA 0.722 53.865 53.050 0.156 0.000 0.733 151 N CB -1.831 36.745 38.487 0.149 0.000 1.097 151 N HN 0.500 nan 8.380 nan 0.000 0.558 152 T N 0.938 115.664 114.554 0.288 0.000 2.928 152 T HA 0.059 4.409 4.350 0.000 0.000 0.305 152 T C 1.722 176.553 174.700 0.218 0.000 1.035 152 T CA 0.275 62.552 62.100 0.294 0.000 1.145 152 T CB 1.049 70.004 68.868 0.146 0.000 0.963 152 T HN 0.195 nan 8.240 nan 0.000 0.545 153 Q N 1.405 121.320 119.800 0.190 0.000 2.339 153 Q HA 0.179 4.519 4.340 0.000 0.000 0.205 153 Q C 0.055 176.156 176.000 0.168 0.000 0.925 153 Q CA 0.276 56.188 55.803 0.182 0.000 0.898 153 Q CB 0.830 29.631 28.738 0.105 0.000 1.013 153 Q HN 0.722 nan 8.270 nan 0.000 0.504 154 W N 0.147 121.370 121.300 -0.128 0.000 3.818 154 W HA 0.411 5.071 4.660 -0.000 0.000 0.283 154 W C -2.367 174.049 176.519 -0.173 0.000 1.265 154 W CA -0.600 56.629 57.345 -0.193 0.000 1.226 154 W CB 1.031 30.318 29.460 -0.289 0.000 1.281 154 W HN -0.357 nan 8.180 nan 0.000 0.539 155 V N 3.605 122.819 119.914 -1.166 0.000 2.789 155 V HA 0.742 4.862 4.120 0.000 0.000 0.311 155 V C -0.325 175.151 176.094 -1.031 0.000 1.073 155 V CA -0.649 61.097 62.300 -0.923 0.000 0.921 155 V CB 1.976 33.171 31.823 -1.046 0.000 1.009 155 V HN 0.466 nan 8.190 nan 0.000 0.426 156 T N 1.017 115.286 114.554 -0.474 0.000 2.971 156 T HA 0.452 4.802 4.350 0.000 0.000 0.304 156 T C -0.925 173.782 174.700 0.012 0.000 1.038 156 T CA -0.533 61.481 62.100 -0.143 0.000 1.007 156 T CB 1.089 70.137 68.868 0.300 0.000 1.055 156 T HN 0.564 nan 8.240 nan 0.000 0.451 157 W N 2.764 124.096 121.300 0.054 0.000 2.181 157 W HA 0.372 5.032 4.660 0.000 0.000 0.335 157 W C 1.310 177.718 176.519 -0.185 0.000 1.310 157 W CA -0.530 56.805 57.345 -0.017 0.000 1.226 157 W CB 0.474 29.925 29.460 -0.014 0.000 1.155 157 W HN 0.805 nan 8.180 nan 0.000 0.565 158 S N 2.362 117.813 115.700 -0.416 0.000 2.572 158 S HA 0.028 4.498 4.470 0.000 0.000 0.267 158 S C -1.710 172.644 174.600 -0.410 0.000 1.361 158 S CA -0.828 56.616 58.200 -1.260 0.000 1.009 158 S CB 0.580 62.907 63.200 -1.454 0.000 0.888 158 S HN 0.330 nan 8.310 nan 0.000 0.553 159 P HA 0.086 nan 4.420 nan 0.000 0.225 159 P C 0.317 177.579 177.300 -0.063 0.000 1.156 159 P CA 0.586 63.650 63.100 -0.060 0.000 0.787 159 P CB -0.205 31.501 31.700 0.009 0.000 0.802 160 V N -5.744 114.088 119.914 -0.136 0.000 2.914 160 V HA 0.892 5.012 4.120 0.000 0.000 0.314 160 V C 0.409 176.415 176.094 -0.147 0.000 1.084 160 V CA -0.206 62.035 62.300 -0.099 0.000 0.963 160 V CB 1.051 32.832 31.823 -0.070 0.000 1.025 160 V HN 0.429 nan 8.190 nan 0.000 0.432 161 G N 2.977 111.720 108.800 -0.095 0.000 2.512 161 G HA2 -0.177 3.783 3.960 0.000 0.000 0.254 161 G HA3 -0.177 3.783 3.960 0.000 0.000 0.254 161 G C 0.233 175.093 174.900 -0.068 0.000 1.199 161 G CA 0.738 45.773 45.100 -0.108 0.000 0.941 161 G HN 2.549 nan 8.290 nan 0.000 0.569 162 H N -0.323 118.731 119.070 -0.028 0.000 2.907 162 H HA 0.422 4.978 4.556 0.000 0.000 0.233 162 H C 0.244 175.718 175.328 0.243 0.000 1.285 162 H CA -0.132 55.942 56.048 0.043 0.000 0.981 162 H CB -0.250 29.533 29.762 0.036 0.000 2.255 162 H HN 0.526 nan 8.280 nan 0.000 0.601 163 K N 1.564 121.961 120.400 -0.004 0.000 2.258 163 K HA 0.458 4.778 4.320 0.000 0.000 0.264 163 K C -0.397 176.311 176.600 0.179 0.000 1.007 163 K CA -0.377 55.920 56.287 0.017 0.000 0.941 163 K CB 1.621 33.987 32.500 -0.223 0.000 0.966 163 K HN 0.158 nan 8.250 nan 0.000 0.480 164 L N 1.387 122.737 121.223 0.212 0.000 2.385 164 L HA 0.493 4.833 4.340 0.000 0.000 0.273 164 L C -0.930 176.124 176.870 0.306 0.000 0.990 164 L CA -0.779 54.142 54.840 0.135 0.000 0.821 164 L CB 2.067 44.057 42.059 -0.114 0.000 1.279 164 L HN 0.695 nan 8.230 nan 0.000 0.412 165 A N 3.258 126.269 122.820 0.319 0.000 2.330 165 A HA 0.803 5.123 4.320 0.000 0.000 0.313 165 A C -1.436 176.171 177.584 0.039 0.000 1.124 165 A CA -0.363 51.740 52.037 0.111 0.000 0.774 165 A CB 0.951 19.927 19.000 -0.041 0.000 1.198 165 A HN 0.649 nan 8.150 nan 0.000 0.465 166 Y N -0.317 119.942 120.300 -0.068 0.000 2.638 166 Y HA 0.803 5.353 4.550 0.000 0.000 0.339 166 Y C -1.201 174.714 175.900 0.024 0.000 1.084 166 Y CA -1.676 56.363 58.100 -0.101 0.000 1.068 166 Y CB 1.208 39.541 38.460 -0.211 0.000 1.294 166 Y HN 0.379 nan 8.280 nan 0.000 0.480 167 V N 1.821 121.884 119.914 0.248 0.000 2.531 167 V HA 0.363 4.483 4.120 0.000 0.000 0.301 167 V C -1.593 174.719 176.094 0.364 0.000 1.034 167 V CA -0.646 61.767 62.300 0.189 0.000 0.865 167 V CB 1.396 33.231 31.823 0.021 0.000 0.995 167 V HN 0.876 nan 8.190 nan 0.000 0.424 168 W N 4.907 126.315 121.300 0.181 0.000 3.097 168 W HA 0.468 5.128 4.660 -0.000 0.000 0.335 168 W C 0.324 176.896 176.519 0.089 0.000 1.114 168 W CA -0.689 56.729 57.345 0.120 0.000 1.231 168 W CB 1.350 30.864 29.460 0.090 0.000 1.388 168 W HN 0.780 nan 8.180 nan 0.000 0.485 169 N N 5.072 123.371 118.700 -0.669 0.000 2.716 169 N HA -0.350 4.390 4.740 0.000 0.000 0.250 169 N C -0.063 175.277 175.510 -0.283 0.000 1.033 169 N CA 1.019 53.716 53.050 -0.588 0.000 0.727 169 N CB -0.938 37.038 38.487 -0.851 0.000 0.950 169 N HN 0.703 nan 8.380 nan 0.000 0.541 170 N N -1.787 116.804 118.700 -0.181 0.000 2.828 170 N HA -0.155 4.585 4.740 0.000 0.000 0.248 170 N C -1.512 173.911 175.510 -0.145 0.000 1.044 170 N CA 1.607 54.566 53.050 -0.152 0.000 0.851 170 N CB -0.461 37.894 38.487 -0.220 0.000 1.136 170 N HN 0.532 nan 8.380 nan 0.000 0.572 171 D N -0.129 120.197 120.400 -0.123 0.000 2.457 171 D HA 0.466 5.106 4.640 0.000 0.000 0.240 171 D C 0.437 176.553 176.300 -0.307 0.000 1.041 171 D CA -0.459 53.391 54.000 -0.250 0.000 0.861 171 D CB 1.316 41.921 40.800 -0.325 0.000 1.394 171 D HN 0.017 nan 8.370 nan 0.000 0.473 172 I N 1.780 122.019 120.570 -0.552 0.000 2.472 172 I HA 0.216 4.386 4.170 0.000 0.000 0.290 172 I C -0.535 175.069 176.117 -0.856 0.000 1.016 172 I CA -0.281 60.671 61.300 -0.581 0.000 1.348 172 I CB 0.451 38.046 38.000 -0.675 0.000 1.417 172 I HN 0.176 nan 8.210 nan 0.000 0.521 173 Y N 3.744 123.675 120.300 -0.615 0.000 2.545 173 Y HA 0.644 5.194 4.550 0.000 0.000 0.348 173 Y C -0.437 175.133 175.900 -0.549 0.000 1.002 173 Y CA -0.943 56.750 58.100 -0.678 0.000 1.039 173 Y CB 2.130 39.900 38.460 -1.149 0.000 1.271 173 Y HN 0.100 nan 8.280 nan 0.000 0.467 174 V N 2.443 122.304 119.914 -0.088 0.000 2.577 174 V HA 0.406 4.526 4.120 0.000 0.000 0.303 174 V C -0.847 175.374 176.094 0.211 0.000 1.042 174 V CA -1.436 60.909 62.300 0.075 0.000 0.872 174 V CB 1.815 33.705 31.823 0.113 0.000 0.998 174 V HN 0.613 nan 8.190 nan 0.000 0.423 175 K N 4.257 124.780 120.400 0.204 0.000 2.240 175 K HA 0.502 4.822 4.320 0.000 0.000 0.271 175 K C 0.364 177.089 176.600 0.208 0.000 1.018 175 K CA -0.714 55.686 56.287 0.189 0.000 0.874 175 K CB 1.729 34.303 32.500 0.123 0.000 1.098 175 K HN 0.450 nan 8.250 nan 0.000 0.458 176 I N 1.306 122.015 120.570 0.231 0.000 2.333 176 I HA -0.049 4.121 4.170 0.000 0.000 0.246 176 I C 0.455 176.658 176.117 0.143 0.000 1.106 176 I CA 1.380 62.783 61.300 0.171 0.000 1.411 176 I CB -0.221 37.896 38.000 0.195 0.000 1.082 176 I HN 0.558 nan 8.210 nan 0.000 0.420 177 E N 0.291 120.581 120.200 0.151 0.000 2.248 177 E HA 0.266 4.616 4.350 0.000 0.000 0.267 177 E C -1.907 174.710 176.600 0.028 0.000 0.877 177 E CA -1.867 54.620 56.400 0.145 0.000 0.759 177 E CB 2.045 31.830 29.700 0.141 0.000 1.182 177 E HN -0.141 nan 8.360 nan 0.000 0.418 178 P HA -0.186 nan 4.420 nan 0.000 0.217 178 P C 0.836 178.087 177.300 -0.082 0.000 1.148 178 P CA 1.386 64.375 63.100 -0.184 0.000 0.828 178 P CB 0.270 31.646 31.700 -0.539 0.000 0.783 179 N N -1.602 117.074 118.700 -0.040 0.000 2.280 179 N HA 0.023 4.763 4.740 0.000 0.000 0.192 179 N C -0.004 175.501 175.510 -0.008 0.000 1.109 179 N CA 0.196 53.242 53.050 -0.005 0.000 0.855 179 N CB -0.274 38.229 38.487 0.027 0.000 0.974 179 N HN 0.059 nan 8.380 nan 0.000 0.482 180 L N 1.379 122.598 121.223 -0.007 0.000 2.360 180 L HA 0.545 4.885 4.340 0.000 0.000 0.271 180 L C -2.136 174.699 176.870 -0.059 0.000 1.057 180 L CA -2.202 52.627 54.840 -0.018 0.000 0.803 180 L CB 0.849 42.916 42.059 0.013 0.000 1.207 180 L HN -0.097 nan 8.230 nan 0.000 0.445 181 P HA 0.072 nan 4.420 nan 0.000 0.265 181 P C -0.737 176.423 177.300 -0.233 0.000 1.193 181 P CA -0.245 62.762 63.100 -0.154 0.000 0.765 181 P CB 0.348 31.944 31.700 -0.174 0.000 0.823 182 S N 2.710 118.326 115.700 -0.141 0.000 2.585 182 S HA 0.262 4.732 4.470 0.000 0.000 0.273 182 S C -0.647 173.847 174.600 -0.178 0.000 1.339 182 S CA -0.288 57.867 58.200 -0.076 0.000 1.028 182 S CB -0.046 63.195 63.200 0.068 0.000 0.906 182 S HN 0.251 nan 8.310 nan 0.000 0.528 183 Y N 0.735 121.061 120.300 0.044 0.000 2.320 183 Y HA 0.414 4.964 4.550 0.000 0.000 0.334 183 Y C 0.916 176.763 175.900 -0.088 0.000 1.055 183 Y CA -0.736 57.370 58.100 0.009 0.000 1.143 183 Y CB 0.959 39.419 38.460 -0.001 0.000 1.193 183 Y HN 0.689 nan 8.280 nan 0.000 0.477 184 R N 3.911 124.393 120.500 -0.030 0.000 2.242 184 R HA 0.203 4.543 4.340 0.000 0.000 0.334 184 R C 0.212 176.271 176.300 -0.402 0.000 1.071 184 R CA -0.100 55.693 56.100 -0.511 0.000 0.922 184 R CB 0.133 29.981 30.300 -0.754 0.000 1.023 184 R HN 0.763 nan 8.270 nan 0.000 0.458 185 I N 2.352 122.613 120.570 -0.514 0.000 2.480 185 I HA -0.056 4.114 4.170 0.000 0.000 0.251 185 I C 1.126 177.050 176.117 -0.322 0.000 1.124 185 I CA 1.084 62.184 61.300 -0.334 0.000 1.444 185 I CB -0.826 36.946 38.000 -0.380 0.000 1.098 185 I HN 0.643 nan 8.210 nan 0.000 0.428 186 T N -4.363 109.870 114.554 -0.536 0.000 2.906 186 T HA 0.404 4.754 4.350 0.000 0.000 0.295 186 T C -0.571 173.845 174.700 -0.473 0.000 1.061 186 T CA -0.562 61.319 62.100 -0.365 0.000 1.000 186 T CB 1.969 70.594 68.868 -0.405 0.000 1.103 186 T HN 0.162 nan 8.240 nan 0.000 0.486 187 W N 0.075 121.261 121.300 -0.190 0.000 2.534 187 W HA 0.205 4.865 4.660 -0.000 0.000 0.339 187 W C 2.167 178.628 176.519 -0.096 0.000 0.961 187 W CA 0.124 57.395 57.345 -0.124 0.000 1.545 187 W CB 0.428 29.836 29.460 -0.087 0.000 1.104 187 W HN 0.927 nan 8.180 nan 0.000 0.538 188 T N -2.547 112.043 114.554 0.061 0.000 3.081 188 T HA 0.211 4.561 4.350 0.000 0.000 0.255 188 T C 1.351 176.041 174.700 -0.016 0.000 1.113 188 T CA 0.396 62.515 62.100 0.031 0.000 1.082 188 T CB -0.374 68.505 68.868 0.020 0.000 0.939 188 T HN -0.002 nan 8.240 nan 0.000 0.506 189 G N 1.424 110.183 108.800 -0.068 0.000 2.225 189 G HA2 0.312 4.272 3.960 0.000 0.000 0.245 189 G HA3 0.312 4.272 3.960 0.000 0.000 0.245 189 G C -0.585 174.248 174.900 -0.112 0.000 1.249 189 G CA -0.330 44.705 45.100 -0.108 0.000 0.919 189 G HN 0.602 nan 8.290 nan 0.000 0.486 190 K N 1.888 122.203 120.400 -0.142 0.000 2.535 190 K HA 0.249 4.569 4.320 0.000 0.000 0.250 190 K C -0.104 176.370 176.600 -0.210 0.000 0.948 190 K CA -0.756 55.450 56.287 -0.136 0.000 0.796 190 K CB 1.705 34.162 32.500 -0.071 0.000 1.216 190 K HN 0.606 nan 8.250 nan 0.000 0.432 191 E N 3.450 123.539 120.200 -0.185 0.000 2.558 191 E HA -0.122 4.228 4.350 0.000 0.000 0.255 191 E C -0.624 175.886 176.600 -0.149 0.000 0.968 191 E CA 0.774 57.061 56.400 -0.190 0.000 0.939 191 E CB 0.260 29.884 29.700 -0.126 0.000 0.921 191 E HN 0.654 nan 8.360 nan 0.000 0.477 192 D N 2.308 122.601 120.400 -0.178 0.000 3.046 192 D HA -0.237 4.403 4.640 0.000 0.000 0.210 192 D C 0.364 176.725 176.300 0.102 0.000 1.124 192 D CA 1.586 55.617 54.000 0.052 0.000 0.986 192 D CB -1.024 39.840 40.800 0.106 0.000 1.118 192 D HN 0.537 nan 8.370 nan 0.000 0.416 193 I N -1.057 119.477 120.570 -0.060 0.000 3.669 193 I HA 0.084 4.254 4.170 0.000 0.000 0.255 193 I C 0.333 176.522 176.117 0.119 0.000 1.144 193 I CA -0.015 61.329 61.300 0.074 0.000 1.447 193 I CB 0.669 38.689 38.000 0.033 0.000 1.622 193 I HN -0.169 nan 8.210 nan 0.000 0.435 194 I N 1.386 121.935 120.570 -0.035 0.000 2.362 194 I HA 0.261 4.431 4.170 0.000 0.000 0.289 194 I C -1.403 174.676 176.117 -0.063 0.000 0.994 194 I CA -0.546 60.794 61.300 0.065 0.000 1.158 194 I CB 0.733 38.758 38.000 0.042 0.000 1.315 194 I HN 0.053 nan 8.210 nan 0.000 0.451 195 Y N 4.744 125.136 120.300 0.153 0.000 2.334 195 Y HA 0.385 4.935 4.550 0.000 0.000 0.336 195 Y C 0.450 176.418 175.900 0.114 0.000 0.960 195 Y CA -0.706 57.487 58.100 0.157 0.000 1.164 195 Y CB 0.951 39.581 38.460 0.283 0.000 1.155 195 Y HN 0.407 nan 8.280 nan 0.000 0.478 196 N N 2.426 121.182 118.700 0.094 0.000 2.469 196 N HA 0.325 5.065 4.740 0.000 0.000 0.253 196 N C 0.797 176.230 175.510 -0.129 0.000 0.970 196 N CA 0.416 53.441 53.050 -0.042 0.000 0.940 196 N CB 1.788 40.150 38.487 -0.208 0.000 1.128 196 N HN 0.988 nan 8.380 nan 0.000 0.503 197 G N 1.694 110.443 108.800 -0.086 0.000 2.179 197 G HA2 -0.260 3.700 3.960 0.000 0.000 0.260 197 G HA3 -0.260 3.700 3.960 0.000 0.000 0.260 197 G C 0.115 174.880 174.900 -0.225 0.000 0.977 197 G CA 0.752 45.742 45.100 -0.184 0.000 0.641 197 G HN 0.641 nan 8.290 nan 0.000 0.533 198 I N -1.958 118.550 120.570 -0.102 0.000 3.042 198 I HA 0.835 5.005 4.170 0.000 0.000 0.310 198 I C 0.390 176.551 176.117 0.074 0.000 1.117 198 I CA -0.747 60.418 61.300 -0.224 0.000 1.003 198 I CB 1.934 39.627 38.000 -0.511 0.000 1.228 198 I HN 0.164 nan 8.210 nan 0.000 0.443 199 T N -0.728 113.785 114.554 -0.070 0.000 2.899 199 T HA 0.400 4.750 4.350 0.000 0.000 0.284 199 T C -0.282 174.262 174.700 -0.261 0.000 1.004 199 T CA -0.662 61.262 62.100 -0.292 0.000 1.043 199 T CB 1.258 70.043 68.868 -0.139 0.000 1.013 199 T HN 0.788 nan 8.240 nan 0.000 0.518 200 D N 0.257 120.251 120.400 -0.676 0.000 2.506 200 D HA 0.051 4.691 4.640 0.000 0.000 0.272 200 D C 0.934 177.178 176.300 -0.093 0.000 1.214 200 D CA -1.116 52.493 54.000 -0.652 0.000 1.067 200 D CB 0.254 40.525 40.800 -0.881 0.000 1.117 200 D HN 0.693 nan 8.370 nan 0.000 0.578 201 W N 0.189 121.448 121.300 -0.068 0.000 2.317 201 W HA -0.256 4.404 4.660 0.000 0.000 0.318 201 W C 2.196 178.638 176.519 -0.128 0.000 1.227 201 W CA 3.240 60.557 57.345 -0.046 0.000 1.269 201 W CB -0.415 28.978 29.460 -0.112 0.000 1.155 201 W HN 0.259 nan 8.180 nan 0.000 0.484 202 V N -2.347 117.674 119.914 0.178 0.000 2.427 202 V HA -0.289 3.831 4.120 0.000 0.000 0.248 202 V C 1.777 177.728 176.094 -0.238 0.000 1.051 202 V CA 1.738 64.015 62.300 -0.038 0.000 1.048 202 V CB -1.721 30.041 31.823 -0.102 0.000 0.666 202 V HN 0.281 nan 8.190 nan 0.000 0.456 203 Y N 1.302 121.452 120.300 -0.250 0.000 2.200 203 Y HA -0.105 4.445 4.550 0.000 0.000 0.290 203 Y C 2.852 178.660 175.900 -0.153 0.000 1.137 203 Y CA 2.179 60.128 58.100 -0.252 0.000 1.163 203 Y CB -0.150 38.044 38.460 -0.444 0.000 0.988 203 Y HN 0.356 nan 8.280 nan 0.000 0.518 204 E N 0.325 120.509 120.200 -0.027 0.000 2.038 204 E HA -0.313 4.037 4.350 0.000 0.000 0.195 204 E C 2.053 178.611 176.600 -0.069 0.000 1.000 204 E CA 1.699 58.096 56.400 -0.005 0.000 0.803 204 E CB -0.054 29.640 29.700 -0.010 0.000 0.750 204 E HN 0.384 nan 8.360 nan 0.000 0.448 205 E N 0.131 120.130 120.200 -0.334 0.000 2.072 205 E HA -0.147 4.203 4.350 0.000 0.000 0.190 205 E C 1.622 178.116 176.600 -0.177 0.000 0.982 205 E CA 1.492 57.674 56.400 -0.362 0.000 0.803 205 E CB 0.167 29.322 29.700 -0.909 0.000 0.755 205 E HN 0.235 nan 8.360 nan 0.000 0.453 206 E N -0.923 119.149 120.200 -0.213 0.000 2.473 206 E HA 0.113 4.463 4.350 0.000 0.000 0.204 206 E C 1.456 177.920 176.600 -0.227 0.000 0.994 206 E CA 0.301 56.607 56.400 -0.157 0.000 0.945 206 E CB 1.178 30.776 29.700 -0.169 0.000 0.990 206 E HN 0.190 nan 8.360 nan 0.000 0.493 207 V N -0.628 119.106 119.914 -0.300 0.000 3.240 207 V HA 0.071 4.191 4.120 0.000 0.000 0.218 207 V C 1.330 177.213 176.094 -0.352 0.000 1.190 207 V CA 0.397 62.426 62.300 -0.451 0.000 1.280 207 V CB -0.359 31.019 31.823 -0.742 0.000 1.244 207 V HN -0.012 nan 8.190 nan 0.000 0.512 208 F N 1.051 121.018 119.950 0.028 0.000 2.789 208 F HA 0.265 4.792 4.527 -0.000 0.000 0.300 208 F C 1.629 177.392 175.800 -0.063 0.000 1.132 208 F CA 0.281 58.309 58.000 0.046 0.000 1.404 208 F CB -0.516 38.558 39.000 0.124 0.000 1.114 208 F HN 0.108 nan 8.300 nan 0.000 0.584 209 S N 0.264 115.970 115.700 0.010 0.000 3.462 209 S HA -0.077 4.393 4.470 0.000 0.000 0.370 209 S C 0.226 174.416 174.600 -0.683 0.000 1.028 209 S CA 0.466 58.524 58.200 -0.235 0.000 1.119 209 S CB -1.686 61.428 63.200 -0.144 0.000 0.906 209 S HN 0.606 nan 8.310 nan 0.000 0.471 210 A N -0.665 121.989 122.820 -0.276 0.000 2.609 210 A HA 0.754 5.074 4.320 0.000 0.000 0.291 210 A C -0.200 177.359 177.584 -0.042 0.000 1.096 210 A CA -0.533 51.358 52.037 -0.243 0.000 0.684 210 A CB 0.458 19.314 19.000 -0.239 0.000 1.282 210 A HN 0.249 nan 8.150 nan 0.000 0.412 211 Y N 1.230 121.381 120.300 -0.248 0.000 2.397 211 Y HA 0.183 4.733 4.550 0.000 0.000 0.292 211 Y C 1.602 177.226 175.900 -0.461 0.000 1.115 211 Y CA 0.791 58.755 58.100 -0.227 0.000 1.208 211 Y CB -0.054 38.334 38.460 -0.121 0.000 1.046 211 Y HN 0.701 nan 8.280 nan 0.000 0.552 212 S N 0.812 115.966 115.700 -0.909 0.000 2.560 212 S HA 0.406 4.876 4.470 0.000 0.000 0.284 212 S C 0.300 174.345 174.600 -0.925 0.000 1.327 212 S CA 0.164 57.556 58.200 -1.346 0.000 1.055 212 S CB 0.642 62.674 63.200 -1.946 0.000 0.868 212 S HN 0.448 nan 8.310 nan 0.000 0.506 213 A N 4.705 127.005 122.820 -0.867 0.000 2.806 213 A HA 0.538 4.858 4.320 0.000 0.000 0.266 213 A C -0.963 176.022 177.584 -0.998 0.000 0.926 213 A CA -0.435 51.050 52.037 -0.920 0.000 1.068 213 A CB 0.008 18.918 19.000 -0.151 0.000 1.189 213 A HN 0.604 nan 8.150 nan 0.000 0.481 214 L N 0.495 121.002 121.223 -1.193 0.000 2.362 214 L HA 0.667 5.007 4.340 0.000 0.000 0.275 214 L C -1.193 175.233 176.870 -0.739 0.000 0.998 214 L CA -0.737 53.717 54.840 -0.644 0.000 0.820 214 L CB 1.111 42.964 42.059 -0.343 0.000 1.270 214 L HN 0.439 nan 8.230 nan 0.000 0.415 215 W N 3.675 125.005 121.300 0.050 0.000 2.631 215 W HA 0.203 4.863 4.660 0.000 0.000 0.321 215 W C -0.949 175.771 176.519 0.335 0.000 1.004 215 W CA -1.092 56.401 57.345 0.247 0.000 1.291 215 W CB 1.165 30.830 29.460 0.341 0.000 1.300 215 W HN 0.512 nan 8.180 nan 0.000 0.422 216 W N 2.428 123.928 121.300 0.334 0.000 2.170 216 W HA 0.200 4.860 4.660 0.000 0.000 0.336 216 W C 1.331 177.643 176.519 -0.344 0.000 1.283 216 W CA 0.358 57.754 57.345 0.085 0.000 1.224 216 W CB 0.771 30.259 29.460 0.047 0.000 1.132 216 W HN 0.180 nan 8.180 nan 0.000 0.571 217 S N 2.403 117.797 115.700 -0.510 0.000 2.593 217 S HA 0.178 4.648 4.470 0.000 0.000 0.269 217 S C -1.796 172.542 174.600 -0.436 0.000 1.334 217 S CA -1.025 56.367 58.200 -1.347 0.000 1.015 217 S CB 1.087 63.556 63.200 -1.219 0.000 0.912 217 S HN 0.292 nan 8.310 nan 0.000 0.541 218 P HA -0.037 nan 4.420 nan 0.000 0.218 218 P C 1.010 178.273 177.300 -0.062 0.000 1.149 218 P CA 0.910 63.968 63.100 -0.071 0.000 0.817 218 P CB -0.072 31.639 31.700 0.018 0.000 0.785 219 N N -0.822 117.835 118.700 -0.073 0.000 2.166 219 N HA -0.078 4.662 4.740 0.000 0.000 0.186 219 N C 1.524 176.969 175.510 -0.107 0.000 1.019 219 N CA 1.898 54.910 53.050 -0.063 0.000 0.856 219 N CB -0.809 37.653 38.487 -0.041 0.000 0.993 219 N HN 0.191 nan 8.380 nan 0.000 0.426 220 G N -1.754 106.990 108.800 -0.094 0.000 2.157 220 G HA2 -0.277 3.683 3.960 0.000 0.000 0.248 220 G HA3 -0.277 3.683 3.960 0.000 0.000 0.248 220 G C 1.080 176.025 174.900 0.075 0.000 0.979 220 G CA 0.933 45.978 45.100 -0.092 0.000 0.650 220 G HN 0.363 nan 8.290 nan 0.000 0.529 221 T N 0.012 114.551 114.554 -0.024 0.000 2.732 221 T HA 0.228 4.578 4.350 0.000 0.000 0.261 221 T C 0.833 175.400 174.700 -0.220 0.000 1.040 221 T CA 1.222 63.202 62.100 -0.199 0.000 1.145 221 T CB -0.077 68.545 68.868 -0.409 0.000 0.866 221 T HN 0.285 nan 8.240 nan 0.000 0.427 222 F N 0.529 120.528 119.950 0.081 0.000 2.422 222 F HA 0.544 5.071 4.527 0.000 0.000 0.333 222 F C -0.030 175.841 175.800 0.118 0.000 1.095 222 F CA -1.180 56.895 58.000 0.125 0.000 1.038 222 F CB 1.036 40.183 39.000 0.245 0.000 1.156 222 F HN -0.061 nan 8.300 nan 0.000 0.483 223 L N 3.218 124.567 121.223 0.209 0.000 2.316 223 L HA 0.678 5.018 4.340 0.000 0.000 0.280 223 L C -0.539 176.405 176.870 0.123 0.000 1.006 223 L CA -0.558 54.237 54.840 -0.075 0.000 0.836 223 L CB 0.849 42.638 42.059 -0.450 0.000 1.221 223 L HN 0.805 nan 8.230 nan 0.000 0.418 224 A N 5.109 128.087 122.820 0.264 0.000 2.316 224 A HA 0.667 4.987 4.320 0.000 0.000 0.284 224 A C -1.229 176.426 177.584 0.117 0.000 1.115 224 A CA -0.217 51.858 52.037 0.064 0.000 0.812 224 A CB 0.718 19.877 19.000 0.265 0.000 1.064 224 A HN 0.744 nan 8.150 nan 0.000 0.489 225 Y N -1.880 118.222 120.300 -0.329 0.000 2.604 225 Y HA 0.682 5.232 4.550 0.000 0.000 0.331 225 Y C -0.406 175.358 175.900 -0.227 0.000 1.158 225 Y CA -0.831 57.191 58.100 -0.130 0.000 1.056 225 Y CB 0.730 39.079 38.460 -0.184 0.000 1.330 225 Y HN 0.925 nan 8.280 nan 0.000 0.457 226 A N 2.878 125.826 122.820 0.213 0.000 2.303 226 A HA 0.612 4.932 4.320 0.000 0.000 0.317 226 A C -0.956 176.560 177.584 -0.114 0.000 1.149 226 A CA -0.795 51.214 52.037 -0.047 0.000 0.822 226 A CB 1.514 20.409 19.000 -0.175 0.000 1.131 226 A HN 0.801 nan 8.150 nan 0.000 0.493 227 Q N 1.195 120.866 119.800 -0.216 0.000 2.331 227 Q HA 0.594 4.934 4.340 0.000 0.000 0.267 227 Q C -1.963 173.809 176.000 -0.381 0.000 1.006 227 Q CA -0.332 55.417 55.803 -0.091 0.000 0.818 227 Q CB 0.936 29.829 28.738 0.258 0.000 1.276 227 Q HN 0.613 nan 8.270 nan 0.000 0.450 228 F N 2.309 122.360 119.950 0.170 0.000 2.469 228 F HA 0.415 4.942 4.527 0.000 0.000 0.332 228 F C 0.332 176.283 175.800 0.251 0.000 1.103 228 F CA -0.958 57.118 58.000 0.128 0.000 0.979 228 F CB 1.412 40.395 39.000 -0.028 0.000 1.137 228 F HN 0.429 nan 8.300 nan 0.000 0.463 229 N N 1.598 120.519 118.700 0.369 0.000 2.483 229 N HA 0.247 4.987 4.740 0.000 0.000 0.267 229 N C -0.924 174.760 175.510 0.291 0.000 0.998 229 N CA -0.410 52.822 53.050 0.304 0.000 0.918 229 N CB 1.116 39.726 38.487 0.205 0.000 1.215 229 N HN 0.528 nan 8.380 nan 0.000 0.500 230 D N 1.222 121.816 120.400 0.324 0.000 2.424 230 D HA 0.141 4.781 4.640 0.000 0.000 0.220 230 D C 1.053 177.472 176.300 0.199 0.000 1.150 230 D CA 0.194 54.361 54.000 0.277 0.000 0.831 230 D CB 0.533 41.559 40.800 0.377 0.000 0.981 230 D HN 0.498 nan 8.370 nan 0.000 0.500 231 T N 0.208 114.861 114.554 0.165 0.000 2.721 231 T HA -0.191 4.159 4.350 0.000 0.000 0.268 231 T C 1.272 176.029 174.700 0.096 0.000 1.038 231 T CA 1.285 63.456 62.100 0.117 0.000 1.145 231 T CB -0.028 68.897 68.868 0.096 0.000 0.858 231 T HN 0.311 nan 8.240 nan 0.000 0.459 232 E N 0.217 120.475 120.200 0.096 0.000 2.501 232 E HA 0.189 4.539 4.350 0.000 0.000 0.200 232 E C -0.497 176.151 176.600 0.080 0.000 1.016 232 E CA -0.226 56.220 56.400 0.076 0.000 0.921 232 E CB 0.714 30.452 29.700 0.064 0.000 1.034 232 E HN 0.191 nan 8.360 nan 0.000 0.468 233 V N 3.828 123.803 119.914 0.102 0.000 2.470 233 V HA 0.097 4.217 4.120 0.000 0.000 0.276 233 V C -1.984 174.163 176.094 0.088 0.000 1.040 233 V CA -1.476 60.886 62.300 0.102 0.000 1.008 233 V CB 0.229 32.129 31.823 0.129 0.000 0.990 233 V HN 0.048 nan 8.190 nan 0.000 0.477 234 P HA 0.248 nan 4.420 nan 0.000 0.270 234 P C -0.733 176.600 177.300 0.055 0.000 1.223 234 P CA -0.229 62.904 63.100 0.056 0.000 0.785 234 P CB 0.526 32.257 31.700 0.051 0.000 0.923 235 L N 2.073 123.307 121.223 0.019 0.000 2.307 235 L HA 0.438 4.778 4.340 0.000 0.000 0.284 235 L C 0.303 177.124 176.870 -0.081 0.000 1.023 235 L CA -0.876 53.958 54.840 -0.010 0.000 0.810 235 L CB 1.213 43.264 42.059 -0.014 0.000 1.231 235 L HN 0.300 nan 8.230 nan 0.000 0.423 236 I N 3.230 123.707 120.570 -0.155 0.000 2.395 236 I HA 0.246 4.416 4.170 0.000 0.000 0.289 236 I C -0.199 175.771 176.117 -0.245 0.000 1.023 236 I CA 0.074 61.186 61.300 -0.314 0.000 1.350 236 I CB 1.241 38.797 38.000 -0.741 0.000 1.409 236 I HN 0.739 nan 8.210 nan 0.000 0.507 237 E N 7.798 127.874 120.200 -0.206 0.000 2.222 237 E HA 0.508 4.858 4.350 0.000 0.000 0.267 237 E C -1.743 174.801 176.600 -0.094 0.000 0.884 237 E CA -0.558 55.724 56.400 -0.196 0.000 0.764 237 E CB 2.431 32.044 29.700 -0.145 0.000 1.169 237 E HN 0.505 nan 8.360 nan 0.000 0.413 238 Y N -1.965 118.252 120.300 -0.138 0.000 2.592 238 Y HA 0.462 5.012 4.550 0.000 0.000 0.334 238 Y C -0.844 174.989 175.900 -0.112 0.000 1.136 238 Y CA -1.298 56.728 58.100 -0.125 0.000 1.042 238 Y CB 0.723 39.118 38.460 -0.108 0.000 1.325 238 Y HN 0.218 nan 8.280 nan 0.000 0.457 239 S N 2.359 118.044 115.700 -0.025 0.000 2.549 239 S HA 0.368 4.838 4.470 0.000 0.000 0.279 239 S C -1.194 173.286 174.600 -0.199 0.000 1.321 239 S CA -0.294 57.754 58.200 -0.252 0.000 1.054 239 S CB 0.260 63.137 63.200 -0.538 0.000 0.899 239 S HN 0.527 nan 8.310 nan 0.000 0.497 240 F N 2.589 122.325 119.950 -0.357 0.000 2.449 240 F HA 0.431 4.958 4.527 0.000 0.000 0.342 240 F C -0.074 175.536 175.800 -0.317 0.000 1.127 240 F CA -0.913 56.956 58.000 -0.219 0.000 0.975 240 F CB 0.743 39.724 39.000 -0.033 0.000 1.146 240 F HN 0.628 nan 8.300 nan 0.000 0.444 241 Y N 2.771 122.858 120.300 -0.355 0.000 2.397 241 Y HA 0.089 4.639 4.550 0.000 0.000 0.292 241 Y C 1.735 177.563 175.900 -0.120 0.000 1.115 241 Y CA 1.135 59.121 58.100 -0.188 0.000 1.208 241 Y CB -0.639 37.704 38.460 -0.195 0.000 1.046 241 Y HN 0.741 nan 8.280 nan 0.000 0.552 242 S N -0.292 115.315 115.700 -0.154 0.000 3.443 242 S HA -0.227 4.243 4.470 0.000 0.000 0.635 242 S C -0.485 174.165 174.600 0.083 0.000 2.555 242 S CA 0.286 58.561 58.200 0.125 0.000 2.778 242 S CB -1.238 62.156 63.200 0.322 0.000 0.331 242 S HN 0.442 nan 8.310 nan 0.000 1.765 243 D N 1.794 122.263 120.400 0.115 0.000 2.400 243 D HA 0.140 4.780 4.640 0.000 0.000 0.238 243 D C 1.436 177.771 176.300 0.059 0.000 1.157 243 D CA 0.626 54.672 54.000 0.076 0.000 0.889 243 D CB 0.263 41.109 40.800 0.076 0.000 1.199 243 D HN 0.685 nan 8.370 nan 0.000 0.436 244 E N 0.460 120.682 120.200 0.037 0.000 2.273 244 E HA -0.235 4.115 4.350 0.000 0.000 0.198 244 E C 1.297 177.912 176.600 0.025 0.000 1.002 244 E CA 1.322 57.735 56.400 0.022 0.000 0.828 244 E CB 0.118 29.823 29.700 0.009 0.000 0.747 244 E HN 0.356 nan 8.360 nan 0.000 0.491 245 S N 0.150 115.871 115.700 0.035 0.000 2.489 245 S HA -0.015 4.455 4.470 0.000 0.000 0.228 245 S C 1.112 175.739 174.600 0.045 0.000 0.995 245 S CA -0.263 57.958 58.200 0.035 0.000 0.934 245 S CB -0.216 63.007 63.200 0.038 0.000 0.771 245 S HN 0.317 nan 8.310 nan 0.000 0.522 246 L N 2.522 123.781 121.223 0.061 0.000 2.456 246 L HA 0.147 4.487 4.340 0.000 0.000 0.277 246 L C 1.584 178.491 176.870 0.061 0.000 1.124 246 L CA 0.030 54.918 54.840 0.080 0.000 0.880 246 L CB 0.892 43.014 42.059 0.105 0.000 1.192 246 L HN 0.483 nan 8.230 nan 0.000 0.463 247 Q N 4.037 123.875 119.800 0.063 0.000 2.083 247 Q HA -0.100 4.240 4.340 0.000 0.000 0.198 247 Q C -0.597 175.324 176.000 -0.132 0.000 0.969 247 Q CA 1.324 57.112 55.803 -0.026 0.000 0.838 247 Q CB 0.234 28.973 28.738 0.002 0.000 0.900 247 Q HN 0.590 nan 8.270 nan 0.000 0.436 248 Y N 0.694 121.009 120.300 0.025 0.000 2.328 248 Y HA 0.370 4.920 4.550 -0.000 0.000 0.336 248 Y C -2.024 173.883 175.900 0.012 0.000 0.960 248 Y CA -2.880 55.230 58.100 0.017 0.000 1.134 248 Y CB 1.326 39.787 38.460 0.003 0.000 1.166 248 Y HN 0.145 nan 8.280 nan 0.000 0.464 249 P HA -0.024 nan 4.420 nan 0.000 0.266 249 P C -0.514 176.787 177.300 0.002 0.000 1.193 249 P CA -0.240 62.864 63.100 0.006 0.000 0.770 249 P CB 0.720 32.349 31.700 -0.118 0.000 0.836 250 K N 1.423 121.815 120.400 -0.014 0.000 2.143 250 K HA 0.278 4.598 4.320 0.000 0.000 0.272 250 K C -0.567 175.988 176.600 -0.075 0.000 1.001 250 K CA -0.234 56.048 56.287 -0.009 0.000 0.915 250 K CB 0.578 33.104 32.500 0.044 0.000 1.047 250 K HN 0.367 nan 8.250 nan 0.000 0.458 251 T N 3.164 117.660 114.554 -0.097 0.000 2.738 251 T HA 0.194 4.544 4.350 0.000 0.000 0.298 251 T C -0.262 174.317 174.700 -0.202 0.000 0.962 251 T CA -0.615 61.392 62.100 -0.154 0.000 0.972 251 T CB 0.836 69.627 68.868 -0.127 0.000 0.928 251 T HN 0.233 nan 8.240 nan 0.000 0.474 252 V N 5.424 125.129 119.914 -0.349 0.000 2.530 252 V HA 0.396 4.516 4.120 0.000 0.000 0.282 252 V C 0.534 176.363 176.094 -0.442 0.000 1.048 252 V CA -0.456 61.587 62.300 -0.429 0.000 0.997 252 V CB 0.576 31.985 31.823 -0.691 0.000 0.987 252 V HN 0.715 nan 8.190 nan 0.000 0.477 253 R N 3.298 123.667 120.500 -0.220 0.000 2.476 253 R HA 0.726 5.066 4.340 0.000 0.000 0.305 253 R C -1.666 174.618 176.300 -0.027 0.000 0.965 253 R CA -0.537 55.478 56.100 -0.142 0.000 0.867 253 R CB 2.256 32.503 30.300 -0.089 0.000 1.176 253 R HN 0.545 nan 8.270 nan 0.000 0.447 254 V N 4.158 124.056 119.914 -0.027 0.000 2.577 254 V HA 0.344 4.464 4.120 0.000 0.000 0.303 254 V C -2.370 173.767 176.094 0.071 0.000 1.042 254 V CA -2.468 59.878 62.300 0.076 0.000 0.872 254 V CB 2.083 33.909 31.823 0.005 0.000 0.998 254 V HN 0.623 nan 8.190 nan 0.000 0.423 255 P HA 0.138 nan 4.420 nan 0.000 0.265 255 P C -1.271 176.119 177.300 0.150 0.000 1.222 255 P CA 0.392 63.589 63.100 0.161 0.000 0.767 255 P CB -0.186 31.654 31.700 0.233 0.000 0.801 256 Y N 6.272 126.535 120.300 -0.060 0.000 2.294 256 Y HA 0.337 4.887 4.550 0.000 0.000 0.329 256 Y C -2.734 173.124 175.900 -0.070 0.000 1.135 256 Y CA -2.782 55.225 58.100 -0.154 0.000 1.213 256 Y CB 1.643 39.888 38.460 -0.358 0.000 1.141 256 Y HN 0.280 nan 8.280 nan 0.000 0.446 257 P HA 0.227 nan 4.420 nan 0.000 0.281 257 P C -0.760 176.553 177.300 0.021 0.000 1.286 257 P CA -0.051 63.060 63.100 0.018 0.000 0.772 257 P CB 1.245 32.950 31.700 0.009 0.000 0.862 258 K N 1.976 122.481 120.400 0.176 0.000 2.117 258 K HA 0.497 4.817 4.320 0.000 0.000 0.240 258 K C 0.550 177.244 176.600 0.156 0.000 1.031 258 K CA -0.736 55.684 56.287 0.223 0.000 0.909 258 K CB 0.448 33.110 32.500 0.270 0.000 1.097 258 K HN 0.433 nan 8.250 nan 0.000 0.492 259 A N 0.680 123.623 122.820 0.205 0.000 2.561 259 A HA 0.299 4.619 4.320 0.000 0.000 0.251 259 A C 1.106 178.732 177.584 0.069 0.000 1.062 259 A CA 0.954 53.102 52.037 0.184 0.000 0.761 259 A CB -1.291 17.905 19.000 0.327 0.000 0.986 259 A HN 0.882 nan 8.150 nan 0.000 0.510 260 G N 0.880 109.710 108.800 0.051 0.000 2.176 260 G HA2 0.134 4.094 3.960 0.000 0.000 0.253 260 G HA3 0.134 4.094 3.960 0.000 0.000 0.253 260 G C 0.584 175.497 174.900 0.022 0.000 0.979 260 G CA 0.609 45.713 45.100 0.006 0.000 0.641 260 G HN 2.115 nan 8.290 nan 0.000 0.530 261 A N -0.504 122.344 122.820 0.047 0.000 2.246 261 A HA 0.781 5.101 4.320 0.000 0.000 0.291 261 A C 0.804 178.417 177.584 0.049 0.000 1.103 261 A CA 0.188 52.255 52.037 0.050 0.000 0.844 261 A CB 0.833 19.874 19.000 0.069 0.000 1.136 261 A HN 1.152 nan 8.150 nan 0.000 0.500 262 V N 2.262 122.206 119.914 0.050 0.000 2.450 262 V HA -0.022 4.099 4.120 0.000 0.000 0.281 262 V C 0.702 176.838 176.094 0.070 0.000 1.019 262 V CA 0.326 62.657 62.300 0.052 0.000 1.062 262 V CB -0.758 31.096 31.823 0.052 0.000 0.979 262 V HN 0.851 nan 8.190 nan 0.000 0.477 263 N N 6.374 125.117 118.700 0.071 0.000 2.445 263 N HA 0.341 5.081 4.740 0.000 0.000 0.264 263 N C -2.339 173.254 175.510 0.138 0.000 1.227 263 N CA -1.211 51.904 53.050 0.108 0.000 0.963 263 N CB 0.881 39.432 38.487 0.106 0.000 1.188 263 N HN 0.455 nan 8.380 nan 0.000 0.491 264 P HA 0.026 nan 4.420 nan 0.000 0.272 264 P C -0.726 176.724 177.300 0.251 0.000 1.230 264 P CA -0.110 63.143 63.100 0.256 0.000 0.788 264 P CB 0.510 32.415 31.700 0.341 0.000 0.949 265 T N -1.818 112.865 114.554 0.215 0.000 2.925 265 T HA 0.556 4.906 4.350 0.000 0.000 0.285 265 T C -0.346 174.464 174.700 0.183 0.000 1.021 265 T CA -0.839 61.350 62.100 0.149 0.000 1.042 265 T CB 1.458 70.380 68.868 0.089 0.000 1.037 265 T HN 0.291 nan 8.240 nan 0.000 0.481 266 V N 1.134 121.126 119.914 0.131 0.000 2.823 266 V HA 0.743 4.863 4.120 0.000 0.000 0.312 266 V C -1.152 175.003 176.094 0.102 0.000 1.072 266 V CA -0.824 61.513 62.300 0.061 0.000 0.937 266 V CB 1.946 33.810 31.823 0.068 0.000 1.013 266 V HN 1.044 nan 8.190 nan 0.000 0.430 267 K N 4.361 124.759 120.400 -0.004 0.000 2.443 267 K HA 0.596 4.916 4.320 0.000 0.000 0.251 267 K C -1.907 174.597 176.600 -0.160 0.000 0.972 267 K CA -0.525 55.726 56.287 -0.060 0.000 0.833 267 K CB 2.774 35.221 32.500 -0.087 0.000 1.317 267 K HN 0.553 nan 8.250 nan 0.000 0.441 268 F N 1.983 121.616 119.950 -0.528 0.000 2.547 268 F HA 0.552 5.079 4.527 0.000 0.000 0.316 268 F C -1.613 173.646 175.800 -0.901 0.000 1.121 268 F CA -0.677 56.998 58.000 -0.542 0.000 0.911 268 F CB 0.908 39.725 39.000 -0.305 0.000 1.179 268 F HN 0.369 nan 8.300 nan 0.000 0.443 269 F N 4.197 123.416 119.950 -1.219 0.000 2.588 269 F HA 0.777 5.304 4.527 0.000 0.000 0.314 269 F C -0.947 174.143 175.800 -1.183 0.000 1.069 269 F CA -1.194 56.175 58.000 -1.052 0.000 0.931 269 F CB 2.185 40.488 39.000 -1.162 0.000 1.260 269 F HN 0.153 nan 8.300 nan 0.000 0.465 270 V N 2.499 122.159 119.914 -0.424 0.000 2.623 270 V HA 0.621 4.741 4.120 0.000 0.000 0.304 270 V C -0.966 175.195 176.094 0.111 0.000 1.054 270 V CA -0.852 61.304 62.300 -0.241 0.000 0.882 270 V CB 1.789 33.324 31.823 -0.479 0.000 1.002 270 V HN 0.536 nan 8.190 nan 0.000 0.424 271 V N 2.986 123.023 119.914 0.205 0.000 2.555 271 V HA 0.476 4.596 4.120 0.000 0.000 0.302 271 V C 0.069 176.337 176.094 0.290 0.000 1.038 271 V CA -0.792 61.653 62.300 0.241 0.000 0.887 271 V CB 1.992 33.907 31.823 0.153 0.000 0.991 271 V HN 0.865 nan 8.190 nan 0.000 0.434 272 N N 2.509 121.347 118.700 0.230 0.000 2.402 272 N HA 0.109 4.849 4.740 0.000 0.000 0.252 272 N C 0.923 176.386 175.510 -0.078 0.000 1.118 272 N CA 0.210 53.240 53.050 -0.034 0.000 0.945 272 N CB 1.610 40.052 38.487 -0.075 0.000 1.147 272 N HN 0.731 nan 8.380 nan 0.000 0.495 273 T N 1.915 116.417 114.554 -0.088 0.000 3.035 273 T HA -0.033 4.317 4.350 0.000 0.000 0.268 273 T C 0.653 175.294 174.700 -0.098 0.000 1.109 273 T CA 0.704 62.781 62.100 -0.038 0.000 1.119 273 T CB 0.144 69.108 68.868 0.159 0.000 0.900 273 T HN 0.471 nan 8.240 nan 0.000 0.503 274 D N 1.418 121.735 120.400 -0.139 0.000 2.277 274 D HA 0.006 4.646 4.640 0.000 0.000 0.208 274 D C 1.332 177.565 176.300 -0.111 0.000 0.962 274 D CA 0.596 54.521 54.000 -0.124 0.000 0.865 274 D CB 0.008 40.722 40.800 -0.144 0.000 0.939 274 D HN 0.443 nan 8.370 nan 0.000 0.510 275 S N 0.310 115.942 115.700 -0.113 0.000 2.460 275 S HA 0.381 4.851 4.470 0.000 0.000 0.211 275 S C 0.074 174.605 174.600 -0.116 0.000 1.312 275 S CA -0.683 57.468 58.200 -0.082 0.000 1.256 275 S CB -0.332 62.848 63.200 -0.033 0.000 1.086 275 S HN -0.016 nan 8.310 nan 0.000 0.507 276 L N 1.461 122.549 121.223 -0.225 0.000 2.334 276 L HA 0.694 5.034 4.340 0.000 0.000 0.275 276 L C 0.248 176.970 176.870 -0.247 0.000 1.036 276 L CA -0.577 54.038 54.840 -0.375 0.000 0.807 276 L CB 1.884 43.404 42.059 -0.897 0.000 1.231 276 L HN 0.422 nan 8.230 nan 0.000 0.438 277 S N -0.408 115.257 115.700 -0.058 0.000 2.500 277 S HA 0.284 4.754 4.470 0.000 0.000 0.301 277 S C 0.664 175.465 174.600 0.334 0.000 1.092 277 S CA -0.441 57.841 58.200 0.136 0.000 1.030 277 S CB 1.702 64.954 63.200 0.088 0.000 1.031 277 S HN 0.690 nan 8.310 nan 0.000 0.483 278 S N 2.719 118.627 115.700 0.347 0.000 2.562 278 S HA 0.006 4.476 4.470 0.000 0.000 0.221 278 S C 1.083 175.774 174.600 0.152 0.000 0.975 278 S CA 0.668 59.018 58.200 0.249 0.000 0.918 278 S CB -0.409 62.870 63.200 0.131 0.000 0.772 278 S HN 1.152 nan 8.310 nan 0.000 0.531 279 V N -3.111 116.885 119.914 0.136 0.000 3.346 279 V HA 0.479 4.599 4.120 0.000 0.000 0.309 279 V C -0.026 176.120 176.094 0.086 0.000 1.457 279 V CA -0.272 62.086 62.300 0.096 0.000 1.069 279 V CB -0.140 31.724 31.823 0.068 0.000 0.944 279 V HN 0.270 nan 8.190 nan 0.000 0.449 280 T N 2.195 116.814 114.554 0.109 0.000 2.991 280 T HA 0.415 4.765 4.350 0.000 0.000 0.303 280 T C -0.661 174.107 174.700 0.114 0.000 1.015 280 T CA -0.406 61.743 62.100 0.082 0.000 1.007 280 T CB 1.522 70.425 68.868 0.058 0.000 1.034 280 T HN 0.269 nan 8.240 nan 0.000 0.446 281 N N 2.270 121.028 118.700 0.098 0.000 2.412 281 N HA 0.301 5.041 4.740 0.000 0.000 0.258 281 N C 0.311 175.888 175.510 0.112 0.000 1.236 281 N CA 0.009 53.148 53.050 0.148 0.000 0.882 281 N CB 0.536 39.057 38.487 0.056 0.000 1.066 281 N HN 0.831 nan 8.380 nan 0.000 0.465 282 A N 2.062 124.958 122.820 0.126 0.000 2.425 282 A HA 0.312 4.632 4.320 0.000 0.000 0.242 282 A C 0.256 177.882 177.584 0.069 0.000 1.077 282 A CA -0.021 52.057 52.037 0.069 0.000 0.781 282 A CB 0.156 19.178 19.000 0.036 0.000 1.020 282 A HN 0.557 nan 8.150 nan 0.000 0.494 283 T N 2.174 116.770 114.554 0.069 0.000 2.749 283 T HA 0.478 4.828 4.350 0.000 0.000 0.287 283 T C -0.138 174.630 174.700 0.115 0.000 0.970 283 T CA -0.149 62.003 62.100 0.086 0.000 0.980 283 T CB 0.843 69.769 68.868 0.097 0.000 0.924 283 T HN 0.525 nan 8.240 nan 0.000 0.456 284 S N 3.132 118.895 115.700 0.104 0.000 2.433 284 S HA 0.470 4.940 4.470 0.000 0.000 0.310 284 S C -0.040 174.697 174.600 0.228 0.000 1.097 284 S CA -0.711 57.570 58.200 0.136 0.000 1.103 284 S CB 0.437 63.645 63.200 0.014 0.000 0.992 284 S HN 0.510 nan 8.310 nan 0.000 0.469 285 I N 3.114 123.842 120.570 0.264 0.000 2.337 285 I HA 0.172 4.342 4.170 0.000 0.000 0.291 285 I C 0.650 176.897 176.117 0.217 0.000 1.046 285 I CA 0.076 61.549 61.300 0.287 0.000 1.324 285 I CB 0.754 38.995 38.000 0.402 0.000 1.409 285 I HN 0.594 nan 8.210 nan 0.000 0.494 286 Q N 6.345 126.262 119.800 0.195 0.000 2.332 286 Q HA 0.388 4.728 4.340 0.000 0.000 0.263 286 Q C -0.882 175.069 176.000 -0.082 0.000 0.979 286 Q CA -0.175 55.552 55.803 -0.127 0.000 0.885 286 Q CB 0.777 29.414 28.738 -0.169 0.000 1.218 286 Q HN 0.559 nan 8.270 nan 0.000 0.405 287 I N 3.570 124.062 120.570 -0.131 0.000 2.330 287 I HA 0.208 4.378 4.170 0.000 0.000 0.289 287 I C -0.131 175.973 176.117 -0.022 0.000 1.001 287 I CA -0.499 60.799 61.300 -0.005 0.000 1.193 287 I CB 1.836 39.878 38.000 0.069 0.000 1.345 287 I HN 0.555 nan 8.210 nan 0.000 0.461 288 T N 5.396 119.908 114.554 -0.070 0.000 2.889 288 T HA 0.458 4.808 4.350 0.000 0.000 0.291 288 T C 0.401 174.918 174.700 -0.306 0.000 0.995 288 T CA -0.406 61.599 62.100 -0.158 0.000 1.092 288 T CB 1.334 70.116 68.868 -0.142 0.000 0.954 288 T HN 0.679 nan 8.240 nan 0.000 0.506 289 A N 4.812 127.242 122.820 -0.649 0.000 2.445 289 A HA 0.476 4.796 4.320 0.000 0.000 0.242 289 A C -2.188 174.933 177.584 -0.772 0.000 1.075 289 A CA -1.132 50.117 52.037 -1.312 0.000 0.777 289 A CB -0.495 17.316 19.000 -1.983 0.000 1.013 289 A HN 0.513 nan 8.150 nan 0.000 0.493 290 P HA 0.175 nan 4.420 nan 0.000 0.269 290 P C 0.892 177.985 177.300 -0.344 0.000 1.215 290 P CA 0.626 63.496 63.100 -0.383 0.000 0.780 290 P CB 0.606 32.140 31.700 -0.277 0.000 0.898 291 A N 2.355 125.041 122.820 -0.223 0.000 1.917 291 A HA -0.234 4.086 4.320 0.000 0.000 0.219 291 A C 2.069 179.550 177.584 -0.172 0.000 1.182 291 A CA 2.548 54.478 52.037 -0.180 0.000 0.633 291 A CB -1.900 17.027 19.000 -0.121 0.000 0.819 291 A HN 0.635 nan 8.150 nan 0.000 0.448 292 S N -1.653 113.967 115.700 -0.133 0.000 2.537 292 S HA -0.036 4.434 4.470 0.000 0.000 0.240 292 S C 1.591 176.124 174.600 -0.112 0.000 0.981 292 S CA 1.435 59.583 58.200 -0.088 0.000 0.948 292 S CB -0.236 62.984 63.200 0.034 0.000 0.759 292 S HN 0.431 nan 8.310 nan 0.000 0.531 293 M N 0.469 119.924 119.600 -0.241 0.000 2.858 293 M HA 0.376 4.856 4.480 0.000 0.000 0.255 293 M C 1.932 177.954 176.300 -0.463 0.000 1.336 293 M CA 0.589 55.672 55.300 -0.363 0.000 1.220 293 M CB -1.090 31.142 32.600 -0.612 0.000 1.252 293 M HN 0.299 nan 8.290 nan 0.000 0.538 294 L N 0.948 121.880 121.223 -0.485 0.000 2.349 294 L HA -0.170 4.170 4.340 0.000 0.000 0.220 294 L C 2.436 179.223 176.870 -0.138 0.000 1.130 294 L CA 0.569 55.221 54.840 -0.313 0.000 0.791 294 L CB -0.796 41.104 42.059 -0.266 0.000 0.918 294 L HN 0.320 nan 8.230 nan 0.000 0.444 295 I N -0.513 119.976 120.570 -0.135 0.000 2.236 295 I HA -0.180 3.990 4.170 0.000 0.000 0.249 295 I C 1.134 177.224 176.117 -0.045 0.000 1.102 295 I CA 1.766 63.015 61.300 -0.085 0.000 1.365 295 I CB -0.056 37.886 38.000 -0.097 0.000 1.051 295 I HN 0.232 nan 8.210 nan 0.000 0.420 296 G N -0.401 108.388 108.800 -0.018 0.000 2.846 296 G HA2 0.240 4.200 3.960 0.000 0.000 0.299 296 G HA3 0.240 4.200 3.960 0.000 0.000 0.299 296 G C -1.661 173.296 174.900 0.095 0.000 1.242 296 G CA -0.437 44.674 45.100 0.018 0.000 0.800 296 G HN 0.137 nan 8.290 nan 0.000 0.538 297 D N 0.902 121.316 120.400 0.025 0.000 2.424 297 D HA 0.492 5.132 4.640 0.000 0.000 0.244 297 D C 0.144 176.408 176.300 -0.060 0.000 1.134 297 D CA 0.830 54.798 54.000 -0.054 0.000 0.881 297 D CB 0.748 41.479 40.800 -0.115 0.000 1.191 297 D HN 0.611 nan 8.370 nan 0.000 0.445 298 H N -1.360 117.570 119.070 -0.233 0.000 3.014 298 H HA 0.565 5.121 4.556 0.000 0.000 0.337 298 H C -1.592 173.599 175.328 -0.228 0.000 1.320 298 H CA -1.007 54.916 56.048 -0.208 0.000 1.128 298 H CB 0.426 30.191 29.762 0.003 0.000 1.862 298 H HN 0.229 nan 8.280 nan 0.000 0.536 299 Y N 0.281 120.775 120.300 0.324 0.000 2.485 299 Y HA 0.340 4.890 4.550 0.000 0.000 0.345 299 Y C -0.200 175.956 175.900 0.427 0.000 0.998 299 Y CA -1.303 56.988 58.100 0.317 0.000 1.059 299 Y CB 1.798 40.298 38.460 0.067 0.000 1.234 299 Y HN 0.538 nan 8.280 nan 0.000 0.461 300 L N 2.134 123.656 121.223 0.499 0.000 2.319 300 L HA 0.144 4.484 4.340 0.000 0.000 0.280 300 L C -0.092 176.792 176.870 0.023 0.000 1.099 300 L CA 0.121 54.903 54.840 -0.097 0.000 0.828 300 L CB 0.832 42.746 42.059 -0.241 0.000 1.150 300 L HN 1.000 nan 8.230 nan 0.000 0.442 301 C N 2.983 122.169 119.300 -0.189 0.000 3.097 301 C HA 0.307 4.768 4.460 0.000 0.000 0.335 301 C C 0.310 175.180 174.990 -0.200 0.000 1.283 301 C CA -0.217 58.662 59.018 -0.230 0.000 1.778 301 C CB 0.007 27.670 27.740 -0.128 0.000 2.365 301 C HN 0.827 nan 8.230 nan 0.000 0.627 302 D N -0.227 120.087 120.400 -0.143 0.000 2.787 302 D HA 0.306 4.946 4.640 0.000 0.000 0.215 302 D C -1.850 174.222 176.300 -0.380 0.000 1.246 302 D CA 0.174 54.114 54.000 -0.099 0.000 0.798 302 D CB 2.202 42.913 40.800 -0.148 0.000 1.649 302 D HN -0.017 nan 8.370 nan 0.000 0.507 303 V N 2.617 122.233 119.914 -0.496 0.000 2.482 303 V HA 0.542 4.662 4.120 0.000 0.000 0.295 303 V C -0.361 175.357 176.094 -0.627 0.000 1.026 303 V CA -0.394 61.351 62.300 -0.925 0.000 0.856 303 V CB 1.823 32.513 31.823 -1.887 0.000 1.001 303 V HN 0.611 nan 8.190 nan 0.000 0.424 304 T N 3.495 117.766 114.554 -0.471 0.000 2.949 304 T HA 0.342 4.692 4.350 0.000 0.000 0.300 304 T C -0.762 173.814 174.700 -0.207 0.000 0.988 304 T CA -0.459 61.533 62.100 -0.179 0.000 0.993 304 T CB 0.731 69.574 68.868 -0.043 0.000 0.984 304 T HN 0.529 nan 8.240 nan 0.000 0.442 305 W N 2.129 123.389 121.300 -0.067 0.000 2.210 305 W HA 0.433 5.093 4.660 -0.000 0.000 0.330 305 W C 1.157 177.574 176.519 -0.170 0.000 1.334 305 W CA -0.209 57.089 57.345 -0.078 0.000 1.227 305 W CB 0.518 30.005 29.460 0.045 0.000 1.178 305 W HN 0.842 nan 8.180 nan 0.000 0.560 306 A N 2.034 124.762 122.820 -0.153 0.000 1.963 306 A HA 0.219 4.539 4.320 0.000 0.000 0.207 306 A C 0.866 178.364 177.584 -0.143 0.000 1.243 306 A CA 1.443 53.106 52.037 -0.623 0.000 0.728 306 A CB -0.239 17.922 19.000 -1.398 0.000 0.895 306 A HN 0.534 nan 8.150 nan 0.000 0.467 307 T N -5.443 109.154 114.554 0.072 0.000 2.618 307 T HA 0.313 4.663 4.350 0.000 0.000 0.293 307 T C 0.082 174.939 174.700 0.262 0.000 1.093 307 T CA -0.268 61.922 62.100 0.150 0.000 1.061 307 T CB 0.522 69.459 68.868 0.115 0.000 1.498 307 T HN -0.041 nan 8.240 nan 0.000 0.494 308 Q N 0.384 120.306 119.800 0.204 0.000 2.291 308 Q HA 0.020 4.360 4.340 0.000 0.000 0.206 308 Q C 0.726 176.949 176.000 0.373 0.000 0.976 308 Q CA 1.420 57.351 55.803 0.212 0.000 0.875 308 Q CB -0.159 28.676 28.738 0.162 0.000 0.927 308 Q HN 0.854 nan 8.270 nan 0.000 0.450 309 E N -0.082 120.348 120.200 0.384 0.000 2.810 309 E HA 0.201 4.551 4.350 0.000 0.000 0.214 309 E C -0.191 176.667 176.600 0.430 0.000 0.980 309 E CA -0.181 56.455 56.400 0.393 0.000 1.159 309 E CB 1.028 30.879 29.700 0.251 0.000 1.047 309 E HN -0.019 nan 8.360 nan 0.000 0.484 310 R N 1.919 122.686 120.500 0.445 0.000 2.514 310 R HA 0.454 4.794 4.340 0.000 0.000 0.296 310 R C -1.434 174.863 176.300 -0.006 0.000 1.012 310 R CA -0.443 55.792 56.100 0.225 0.000 0.897 310 R CB 0.919 31.250 30.300 0.051 0.000 1.184 310 R HN -0.006 nan 8.270 nan 0.000 0.440 311 I N 1.825 122.227 120.570 -0.280 0.000 2.441 311 I HA 0.367 4.537 4.170 0.000 0.000 0.295 311 I C 0.016 175.840 176.117 -0.488 0.000 0.994 311 I CA -0.940 59.927 61.300 -0.722 0.000 1.144 311 I CB 2.030 39.304 38.000 -1.210 0.000 1.314 311 I HN 0.440 nan 8.210 nan 0.000 0.445 312 S N 6.473 121.886 115.700 -0.479 0.000 2.489 312 S HA 0.768 5.238 4.470 0.000 0.000 0.291 312 S C -0.762 173.543 174.600 -0.491 0.000 1.151 312 S CA -0.516 57.480 58.200 -0.339 0.000 1.082 312 S CB 0.588 63.716 63.200 -0.121 0.000 1.019 312 S HN 0.510 nan 8.310 nan 0.000 0.492 313 L N 3.980 124.938 121.223 -0.442 0.000 2.436 313 L HA 0.505 4.845 4.340 0.000 0.000 0.268 313 L C -0.439 176.173 176.870 -0.432 0.000 0.974 313 L CA -0.625 53.857 54.840 -0.598 0.000 0.826 313 L CB 2.189 43.817 42.059 -0.719 0.000 1.291 313 L HN 0.604 nan 8.230 nan 0.000 0.406 314 Q N 1.549 121.055 119.800 -0.490 0.000 2.274 314 Q HA 0.497 4.837 4.340 0.000 0.000 0.260 314 Q C -1.695 174.077 176.000 -0.380 0.000 0.974 314 Q CA -0.466 55.157 55.803 -0.300 0.000 0.876 314 Q CB 2.445 31.055 28.738 -0.214 0.000 1.297 314 Q HN 0.414 nan 8.270 nan 0.000 0.446 315 W N 2.184 123.442 121.300 -0.071 0.000 2.864 315 W HA 0.657 5.317 4.660 0.000 0.000 0.343 315 W C -1.180 175.367 176.519 0.046 0.000 1.109 315 W CA -0.637 56.715 57.345 0.012 0.000 1.192 315 W CB 1.323 30.775 29.460 -0.014 0.000 1.426 315 W HN 0.386 nan 8.180 nan 0.000 0.529 316 L N 2.006 123.465 121.223 0.394 0.000 2.455 316 L HA 0.569 4.909 4.340 0.000 0.000 0.264 316 L C -0.441 176.624 176.870 0.326 0.000 0.968 316 L CA -1.041 53.981 54.840 0.304 0.000 0.827 316 L CB 1.634 43.848 42.059 0.259 0.000 1.317 316 L HN 0.409 nan 8.230 nan 0.000 0.407 317 R N 2.520 123.177 120.500 0.262 0.000 2.582 317 R HA 0.318 4.658 4.340 0.000 0.000 0.271 317 R C 0.966 177.333 176.300 0.111 0.000 1.078 317 R CA -0.376 55.827 56.100 0.172 0.000 1.127 317 R CB 0.790 31.184 30.300 0.157 0.000 1.038 317 R HN 0.651 nan 8.270 nan 0.000 0.500 318 R N 1.673 122.149 120.500 -0.040 0.000 2.127 318 R HA -0.086 4.254 4.340 0.000 0.000 0.238 318 R C 0.268 176.619 176.300 0.086 0.000 1.134 318 R CA 1.224 57.287 56.100 -0.062 0.000 0.975 318 R CB -0.059 30.149 30.300 -0.152 0.000 0.865 318 R HN 0.486 nan 8.270 nan 0.000 0.447 319 I N 2.337 122.944 120.570 0.062 0.000 2.347 319 I HA 0.011 4.181 4.170 0.000 0.000 0.294 319 I C 0.300 176.477 176.117 0.101 0.000 1.090 319 I CA 0.246 61.586 61.300 0.067 0.000 1.314 319 I CB 1.417 39.441 38.000 0.039 0.000 1.423 319 I HN 0.107 nan 8.210 nan 0.000 0.503 320 Q N 4.860 124.718 119.800 0.097 0.000 2.639 320 Q HA 0.090 4.430 4.340 0.000 0.000 0.301 320 Q C 0.515 176.584 176.000 0.115 0.000 1.029 320 Q CA -0.069 55.802 55.803 0.115 0.000 0.936 320 Q CB -0.106 28.663 28.738 0.052 0.000 1.354 320 Q HN 0.536 nan 8.270 nan 0.000 0.417 321 N N -0.123 118.654 118.700 0.129 0.000 2.250 321 N HA 0.015 4.755 4.740 0.000 0.000 0.190 321 N C -1.291 174.329 175.510 0.184 0.000 1.116 321 N CA 0.266 53.387 53.050 0.119 0.000 0.881 321 N CB 0.693 39.241 38.487 0.101 0.000 1.006 321 N HN 0.316 nan 8.380 nan 0.000 0.491 322 Y N 0.479 120.804 120.300 0.040 0.000 2.358 322 Y HA 0.389 4.939 4.550 0.000 0.000 0.324 322 Y C -1.132 174.804 175.900 0.060 0.000 1.123 322 Y CA -0.973 57.150 58.100 0.039 0.000 1.067 322 Y CB 0.862 39.337 38.460 0.026 0.000 1.230 322 Y HN -0.044 nan 8.280 nan 0.000 0.429 323 S N 4.011 119.567 115.700 -0.240 0.000 2.599 323 S HA 0.930 5.400 4.470 0.000 0.000 0.287 323 S C -1.885 172.562 174.600 -0.255 0.000 1.105 323 S CA -0.804 57.319 58.200 -0.127 0.000 0.899 323 S CB 2.097 65.278 63.200 -0.031 0.000 1.100 323 S HN 0.475 nan 8.310 nan 0.000 0.482 324 V N 2.319 122.190 119.914 -0.072 0.000 2.577 324 V HA 0.479 4.599 4.120 0.000 0.000 0.303 324 V C -0.599 175.512 176.094 0.028 0.000 1.042 324 V CA -0.591 61.681 62.300 -0.048 0.000 0.872 324 V CB 1.755 33.578 31.823 -0.001 0.000 0.998 324 V HN 1.032 nan 8.190 nan 0.000 0.423 325 M N 3.949 123.545 119.600 -0.008 0.000 2.084 325 M HA 0.444 4.924 4.480 0.000 0.000 0.351 325 M C -0.857 175.448 176.300 0.008 0.000 1.240 325 M CA -0.226 55.057 55.300 -0.028 0.000 1.083 325 M CB 0.555 33.104 32.600 -0.086 0.000 1.593 325 M HN 0.603 nan 8.290 nan 0.000 0.463 326 D N 5.184 125.593 120.400 0.014 0.000 2.210 326 D HA 0.475 5.115 4.640 0.000 0.000 0.249 326 D C -0.947 175.324 176.300 -0.050 0.000 1.078 326 D CA 0.094 54.096 54.000 0.003 0.000 0.875 326 D CB 1.191 42.028 40.800 0.062 0.000 1.175 326 D HN 0.557 nan 8.370 nan 0.000 0.440 327 I N 2.670 123.227 120.570 -0.021 0.000 2.382 327 I HA 0.285 4.455 4.170 0.000 0.000 0.286 327 I C -0.732 175.382 176.117 -0.006 0.000 1.002 327 I CA -0.544 60.745 61.300 -0.018 0.000 1.135 327 I CB 1.257 39.290 38.000 0.055 0.000 1.288 327 I HN 0.207 nan 8.210 nan 0.000 0.448 328 c N 4.384 122.974 118.600 -0.016 0.000 2.340 328 c HA 0.480 5.050 4.570 0.000 0.000 0.323 328 c C -0.307 173.923 174.090 0.233 0.000 1.260 328 c CA -0.936 55.447 56.329 0.090 0.000 1.464 328 c CB 0.619 43.168 42.510 0.066 0.000 2.156 328 c HN 0.602 nan 8.230 nan 0.000 0.476 329 D N 0.822 121.338 120.400 0.194 0.000 2.181 329 D HA 0.238 4.878 4.640 0.000 0.000 0.248 329 D C -0.679 175.588 176.300 -0.056 0.000 1.020 329 D CA -0.161 53.920 54.000 0.134 0.000 0.891 329 D CB 1.588 42.408 40.800 0.034 0.000 1.187 329 D HN 0.603 nan 8.370 nan 0.000 0.443 330 Y N 1.008 120.943 120.300 -0.609 0.000 2.309 330 Y HA 0.181 4.731 4.550 0.000 0.000 0.327 330 Y C -0.239 175.352 175.900 -0.515 0.000 1.172 330 Y CA -0.333 57.068 58.100 -1.166 0.000 1.280 330 Y CB 0.928 38.457 38.460 -1.552 0.000 1.234 330 Y HN 0.126 nan 8.280 nan 0.000 0.512 331 D N 4.143 123.877 120.400 -1.109 0.000 2.329 331 D HA 0.107 4.747 4.640 0.000 0.000 0.232 331 D C 0.631 176.276 176.300 -1.092 0.000 1.088 331 D CA -0.299 53.229 54.000 -0.787 0.000 0.835 331 D CB 0.967 41.488 40.800 -0.464 0.000 1.078 331 D HN 0.800 nan 8.370 nan 0.000 0.495 332 E N 1.439 121.257 120.200 -0.636 0.000 2.150 332 E HA -0.125 4.225 4.350 0.000 0.000 0.193 332 E C 1.097 177.559 176.600 -0.231 0.000 0.985 332 E CA 0.656 56.840 56.400 -0.360 0.000 0.814 332 E CB 0.086 29.729 29.700 -0.095 0.000 0.752 332 E HN 0.195 nan 8.360 nan 0.000 0.466 333 S N 1.535 117.105 115.700 -0.217 0.000 2.343 333 S HA -0.166 4.304 4.470 0.000 0.000 0.212 333 S C 2.304 176.828 174.600 -0.125 0.000 1.033 333 S CA 1.587 59.707 58.200 -0.133 0.000 1.004 333 S CB -0.393 62.740 63.200 -0.112 0.000 0.977 333 S HN 0.534 nan 8.310 nan 0.000 0.427 334 S N 0.529 116.135 115.700 -0.156 0.000 2.436 334 S HA 0.261 4.731 4.470 0.000 0.000 0.228 334 S C 1.576 176.123 174.600 -0.087 0.000 1.014 334 S CA 0.742 58.880 58.200 -0.103 0.000 0.950 334 S CB -0.556 62.591 63.200 -0.089 0.000 0.784 334 S HN 1.047 nan 8.310 nan 0.000 0.504 335 G N 0.872 109.549 108.800 -0.205 0.000 2.160 335 G HA2 -0.242 3.718 3.960 0.000 0.000 0.244 335 G HA3 -0.242 3.718 3.960 0.000 0.000 0.244 335 G C 0.029 174.960 174.900 0.052 0.000 1.022 335 G CA 0.167 45.239 45.100 -0.046 0.000 0.741 335 G HN 0.612 nan 8.290 nan 0.000 0.508 336 R N -1.843 118.565 120.500 -0.153 0.000 2.902 336 R HA 0.779 5.119 4.340 0.000 0.000 0.258 336 R C -0.856 175.329 176.300 -0.192 0.000 1.071 336 R CA -0.708 55.379 56.100 -0.022 0.000 1.024 336 R CB 0.836 31.148 30.300 0.019 0.000 1.184 336 R HN 0.205 nan 8.270 nan 0.000 0.492 337 W N 0.762 122.102 121.300 0.066 0.000 2.529 337 W HA 0.499 5.159 4.660 0.000 0.000 0.321 337 W C -0.578 175.935 176.519 -0.009 0.000 1.047 337 W CA -0.420 56.947 57.345 0.036 0.000 1.216 337 W CB 1.304 30.779 29.460 0.024 0.000 1.357 337 W HN 0.173 nan 8.180 nan 0.000 0.489 338 N N 2.436 121.230 118.700 0.156 0.000 2.346 338 N HA 0.363 5.103 4.740 0.000 0.000 0.289 338 N C -1.624 173.925 175.510 0.064 0.000 1.027 338 N CA -0.479 52.614 53.050 0.071 0.000 0.864 338 N CB 1.728 40.218 38.487 0.005 0.000 1.370 338 N HN 0.260 nan 8.380 nan 0.000 0.481 339 c N 3.038 121.659 118.600 0.036 0.000 2.242 339 c HA 0.344 4.914 4.570 0.000 0.000 0.317 339 c C 0.443 174.526 174.090 -0.011 0.000 1.087 339 c CA -0.945 55.392 56.329 0.013 0.000 1.535 339 c CB -1.460 41.050 42.510 -0.001 0.000 1.893 339 c HN 0.511 nan 8.230 nan 0.000 0.426 340 L N 3.088 124.306 121.223 -0.009 0.000 2.562 340 L HA 0.006 4.346 4.340 0.000 0.000 0.271 340 L C 1.592 178.442 176.870 -0.035 0.000 1.167 340 L CA 0.673 55.501 54.840 -0.021 0.000 0.917 340 L CB 0.241 42.290 42.059 -0.017 0.000 1.187 340 L HN 0.626 nan 8.230 nan 0.000 0.482 341 V N 3.829 123.719 119.914 -0.041 0.000 2.370 341 V HA -0.363 3.757 4.120 0.000 0.000 0.252 341 V C 2.213 178.273 176.094 -0.057 0.000 1.068 341 V CA 2.075 64.346 62.300 -0.050 0.000 1.061 341 V CB -1.054 30.741 31.823 -0.047 0.000 0.656 341 V HN 0.997 nan 8.190 nan 0.000 0.455 342 A N 0.699 123.487 122.820 -0.053 0.000 2.119 342 A HA -0.123 4.197 4.320 0.000 0.000 0.217 342 A C 2.249 179.777 177.584 -0.094 0.000 1.153 342 A CA 1.264 53.264 52.037 -0.062 0.000 0.692 342 A CB -0.388 18.584 19.000 -0.046 0.000 0.799 342 A HN 0.696 nan 8.150 nan 0.000 0.458 343 R N -0.142 120.303 120.500 -0.091 0.000 2.393 343 R HA 0.172 4.512 4.340 0.000 0.000 0.244 343 R C -0.419 175.758 176.300 -0.204 0.000 0.920 343 R CA -0.226 55.797 56.100 -0.128 0.000 1.076 343 R CB -0.156 30.122 30.300 -0.036 0.000 1.119 343 R HN 0.492 nan 8.270 nan 0.000 0.524 344 Q N 1.569 121.270 119.800 -0.166 0.000 2.337 344 Q HA 0.062 4.402 4.340 0.000 0.000 0.270 344 Q C -1.029 174.833 176.000 -0.230 0.000 1.002 344 Q CA 0.515 56.237 55.803 -0.134 0.000 0.888 344 Q CB 0.761 29.454 28.738 -0.075 0.000 1.222 344 Q HN 0.351 nan 8.270 nan 0.000 0.400 345 H N 1.368 120.441 119.070 0.004 0.000 2.459 345 H HA 0.436 4.992 4.556 0.000 0.000 0.332 345 H C -0.705 174.595 175.328 -0.046 0.000 1.094 345 H CA -0.493 55.564 56.048 0.016 0.000 1.224 345 H CB 1.031 30.817 29.762 0.039 0.000 1.449 345 H HN 0.443 nan 8.280 nan 0.000 0.484 346 I N 2.220 122.834 120.570 0.073 0.000 2.441 346 I HA 0.230 4.400 4.170 0.000 0.000 0.295 346 I C -0.290 175.792 176.117 -0.058 0.000 0.994 346 I CA -0.296 60.950 61.300 -0.091 0.000 1.144 346 I CB 1.667 39.578 38.000 -0.150 0.000 1.314 346 I HN 0.577 nan 8.210 nan 0.000 0.445 347 E N 7.968 128.081 120.200 -0.146 0.000 2.241 347 E HA 0.598 4.949 4.350 0.000 0.000 0.263 347 E C -1.325 175.203 176.600 -0.121 0.000 0.882 347 E CA -0.702 55.654 56.400 -0.072 0.000 0.769 347 E CB 1.351 31.033 29.700 -0.029 0.000 1.185 347 E HN 0.575 nan 8.360 nan 0.000 0.415 348 M N 0.976 120.549 119.600 -0.045 0.000 2.658 348 M HA 0.618 5.098 4.480 0.000 0.000 0.295 348 M C -0.791 175.520 176.300 0.018 0.000 1.248 348 M CA -1.050 54.258 55.300 0.012 0.000 0.843 348 M CB 2.186 34.849 32.600 0.105 0.000 1.749 348 M HN 0.245 nan 8.290 nan 0.000 0.464 349 S N -0.699 115.009 115.700 0.014 0.000 2.513 349 S HA 0.579 5.049 4.470 0.000 0.000 0.299 349 S C 0.194 174.778 174.600 -0.027 0.000 1.087 349 S CA -0.463 57.719 58.200 -0.030 0.000 1.012 349 S CB 1.915 65.049 63.200 -0.109 0.000 1.044 349 S HN 0.802 nan 8.310 nan 0.000 0.485 350 T N 2.538 117.072 114.554 -0.033 0.000 3.010 350 T HA 0.037 4.387 4.350 0.000 0.000 0.252 350 T C 1.555 176.223 174.700 -0.054 0.000 1.047 350 T CA 0.852 62.936 62.100 -0.027 0.000 1.140 350 T CB -0.312 68.547 68.868 -0.014 0.000 0.885 350 T HN 0.638 nan 8.240 nan 0.000 0.464 351 T N 0.506 115.014 114.554 -0.077 0.000 3.031 351 T HA 0.400 4.750 4.350 0.000 0.000 0.254 351 T C 1.243 175.768 174.700 -0.292 0.000 1.060 351 T CA 0.697 62.745 62.100 -0.086 0.000 1.135 351 T CB 0.123 69.006 68.868 0.026 0.000 0.896 351 T HN 0.511 nan 8.240 nan 0.000 0.472 352 G N 0.025 108.448 108.800 -0.629 0.000 3.198 352 G HA2 0.523 4.483 3.960 0.000 0.000 0.166 352 G HA3 0.523 4.483 3.960 0.000 0.000 0.166 352 G C -1.488 173.103 174.900 -0.516 0.000 1.134 352 G CA -0.681 43.811 45.100 -1.013 0.000 0.941 352 G HN 0.420 nan 8.290 nan 0.000 0.639 353 W N -0.353 120.651 121.300 -0.493 0.000 2.353 353 W HA 0.758 5.418 4.660 0.000 0.000 0.377 353 W C -0.518 175.926 176.519 -0.124 0.000 1.375 353 W CA -1.302 55.891 57.345 -0.254 0.000 1.503 353 W CB 0.630 29.905 29.460 -0.308 0.000 1.345 353 W HN 0.247 nan 8.180 nan 0.000 0.683 354 V N 2.866 122.850 119.914 0.116 0.000 2.407 354 V HA 0.692 4.812 4.120 0.000 0.000 0.278 354 V C 0.788 176.966 176.094 0.141 0.000 1.037 354 V CA 0.489 62.823 62.300 0.057 0.000 0.900 354 V CB 0.030 31.883 31.823 0.050 0.000 0.983 354 V HN 1.282 nan 8.190 nan 0.000 0.459 355 G N 5.316 114.160 108.800 0.073 0.000 2.760 355 G HA2 -0.189 3.771 3.960 0.000 0.000 0.246 355 G HA3 -0.189 3.771 3.960 0.000 0.000 0.246 355 G C 0.324 175.325 174.900 0.169 0.000 1.359 355 G CA 0.275 45.442 45.100 0.112 0.000 0.861 355 G HN 0.623 nan 8.290 nan 0.000 0.541 356 R N -1.201 119.395 120.500 0.159 0.000 2.052 356 R HA 0.231 4.571 4.340 0.000 0.000 0.226 356 R C 2.022 178.298 176.300 -0.041 0.000 1.145 356 R CA 2.012 58.169 56.100 0.096 0.000 0.952 356 R CB -0.090 30.270 30.300 0.100 0.000 0.847 356 R HN 0.435 nan 8.270 nan 0.000 0.431 357 F N -0.595 119.479 119.950 0.208 0.000 2.784 357 F HA 0.274 4.801 4.527 0.000 0.000 0.323 357 F C 0.183 175.994 175.800 0.019 0.000 1.085 357 F CA -0.461 57.600 58.000 0.103 0.000 1.196 357 F CB 0.786 39.852 39.000 0.110 0.000 1.053 357 F HN -0.090 nan 8.300 nan 0.000 0.578 358 R N -1.534 119.086 120.500 0.200 0.000 2.765 358 R HA 0.411 4.751 4.340 0.000 0.000 0.277 358 R C -3.356 172.998 176.300 0.090 0.000 1.028 358 R CA -1.920 54.231 56.100 0.085 0.000 0.860 358 R CB -0.001 30.301 30.300 0.002 0.000 1.270 358 R HN -0.375 nan 8.270 nan 0.000 0.484 359 P HA -0.000 nan 4.420 nan 0.000 0.265 359 P C -0.326 176.990 177.300 0.027 0.000 1.193 359 P CA 0.046 63.162 63.100 0.027 0.000 0.765 359 P CB 0.733 32.425 31.700 -0.013 0.000 0.823 360 S N 1.921 117.649 115.700 0.046 0.000 2.584 360 S HA 0.153 4.623 4.470 0.000 0.000 0.270 360 S C 0.246 174.855 174.600 0.016 0.000 1.346 360 S CA -0.716 57.526 58.200 0.070 0.000 1.018 360 S CB 0.426 63.690 63.200 0.107 0.000 0.899 360 S HN 0.559 nan 8.310 nan 0.000 0.542 361 E N 1.158 121.381 120.200 0.039 0.000 2.277 361 E HA 0.386 4.736 4.350 0.000 0.000 0.274 361 E C -2.868 173.668 176.600 -0.106 0.000 1.022 361 E CA -2.380 53.982 56.400 -0.063 0.000 0.853 361 E CB 0.552 30.217 29.700 -0.058 0.000 1.086 361 E HN 0.411 nan 8.360 nan 0.000 0.397 362 P HA 0.239 nan 4.420 nan 0.000 0.284 362 P C -1.128 175.950 177.300 -0.369 0.000 1.253 362 P CA -0.339 62.531 63.100 -0.384 0.000 0.800 362 P CB 0.404 31.480 31.700 -1.039 0.000 0.961 363 H N 1.596 120.654 119.070 -0.020 0.000 2.638 363 H HA 0.397 4.953 4.556 0.000 0.000 0.303 363 H C -0.300 175.141 175.328 0.189 0.000 1.034 363 H CA -0.241 55.887 56.048 0.132 0.000 1.225 363 H CB -0.142 29.733 29.762 0.190 0.000 1.394 363 H HN 0.242 nan 8.280 nan 0.000 0.477 364 F N 1.493 121.632 119.950 0.314 0.000 2.389 364 F HA 0.168 4.695 4.527 0.000 0.000 0.337 364 F C 1.278 177.278 175.800 0.334 0.000 1.112 364 F CA -0.643 57.553 58.000 0.327 0.000 1.192 364 F CB 0.937 40.061 39.000 0.206 0.000 1.185 364 F HN 0.425 nan 8.300 nan 0.000 0.552 365 T N 0.854 115.734 114.554 0.542 0.000 2.856 365 T HA 0.069 4.419 4.350 0.000 0.000 0.306 365 T C 1.101 176.003 174.700 0.335 0.000 1.062 365 T CA -0.808 61.538 62.100 0.409 0.000 1.083 365 T CB 0.786 69.875 68.868 0.370 0.000 0.984 365 T HN 0.620 nan 8.240 nan 0.000 0.542 366 L N 1.327 122.700 121.223 0.249 0.000 2.089 366 L HA -0.130 4.210 4.340 0.000 0.000 0.213 366 L C 2.022 178.998 176.870 0.177 0.000 1.079 366 L CA 2.509 57.467 54.840 0.196 0.000 0.758 366 L CB -0.949 41.202 42.059 0.153 0.000 0.891 366 L HN 0.956 nan 8.230 nan 0.000 0.433 367 D N -1.521 118.987 120.400 0.180 0.000 2.355 367 D HA 0.099 4.739 4.640 0.000 0.000 0.218 367 D C 1.628 178.021 176.300 0.156 0.000 1.004 367 D CA 0.742 54.832 54.000 0.151 0.000 0.880 367 D CB -0.383 40.498 40.800 0.134 0.000 0.911 367 D HN 0.415 nan 8.370 nan 0.000 0.528 368 G N 0.359 109.283 108.800 0.208 0.000 2.148 368 G HA2 -0.325 3.635 3.960 0.000 0.000 0.254 368 G HA3 -0.325 3.635 3.960 0.000 0.000 0.254 368 G C 0.912 175.966 174.900 0.256 0.000 0.981 368 G CA 0.358 45.561 45.100 0.173 0.000 0.670 368 G HN 0.368 nan 8.290 nan 0.000 0.528 369 N N 0.001 118.870 118.700 0.280 0.000 2.356 369 N HA 0.179 4.919 4.740 0.000 0.000 0.178 369 N C 0.991 176.656 175.510 0.258 0.000 1.075 369 N CA 1.142 54.336 53.050 0.240 0.000 0.889 369 N CB 0.497 39.079 38.487 0.158 0.000 0.999 369 N HN 0.839 nan 8.380 nan 0.000 0.464 370 S N -0.375 115.515 115.700 0.316 0.000 2.651 370 S HA 0.800 5.270 4.470 0.000 0.000 0.279 370 S C -0.834 173.901 174.600 0.225 0.000 1.148 370 S CA -0.945 57.316 58.200 0.102 0.000 0.837 370 S CB 2.023 65.229 63.200 0.009 0.000 1.138 370 S HN 0.156 nan 8.310 nan 0.000 0.478 371 F N -2.178 117.653 119.950 -0.198 0.000 2.741 371 F HA 0.818 5.345 4.527 0.000 0.000 0.313 371 F C -2.337 173.271 175.800 -0.320 0.000 1.153 371 F CA -1.561 56.256 58.000 -0.305 0.000 0.931 371 F CB 0.581 39.047 39.000 -0.891 0.000 1.335 371 F HN 0.587 nan 8.300 nan 0.000 0.460 372 Y N 0.726 121.196 120.300 0.282 0.000 2.485 372 Y HA 0.748 5.298 4.550 0.000 0.000 0.345 372 Y C -0.408 175.669 175.900 0.295 0.000 0.998 372 Y CA -1.130 57.116 58.100 0.244 0.000 1.059 372 Y CB 2.323 40.869 38.460 0.145 0.000 1.234 372 Y HN 0.719 nan 8.280 nan 0.000 0.461 373 K N 2.402 123.039 120.400 0.394 0.000 2.561 373 K HA 0.493 4.813 4.320 0.000 0.000 0.254 373 K C -1.750 174.995 176.600 0.243 0.000 0.942 373 K CA -0.506 55.954 56.287 0.287 0.000 0.818 373 K CB 1.662 34.273 32.500 0.185 0.000 1.306 373 K HN 0.710 nan 8.250 nan 0.000 0.435 374 I N 4.925 125.609 120.570 0.191 0.000 2.471 374 I HA 0.199 4.369 4.170 0.000 0.000 0.286 374 I C -0.277 175.937 176.117 0.161 0.000 1.079 374 I CA -0.138 61.257 61.300 0.158 0.000 1.398 374 I CB 0.447 38.523 38.000 0.126 0.000 1.403 374 I HN 0.422 nan 8.210 nan 0.000 0.530 375 I N 4.738 125.432 120.570 0.205 0.000 2.769 375 I HA 0.164 4.334 4.170 0.000 0.000 0.298 375 I C -0.053 176.204 176.117 0.234 0.000 1.128 375 I CA -0.234 61.196 61.300 0.217 0.000 1.031 375 I CB 2.320 40.463 38.000 0.238 0.000 1.235 375 I HN 0.398 nan 8.210 nan 0.000 0.423 376 S N 4.916 120.689 115.700 0.122 0.000 2.481 376 S HA 0.255 4.725 4.470 0.000 0.000 0.276 376 S C 0.074 174.706 174.600 0.054 0.000 1.247 376 S CA -0.508 57.704 58.200 0.021 0.000 1.053 376 S CB -0.298 62.856 63.200 -0.078 0.000 0.925 376 S HN 0.721 nan 8.310 nan 0.000 0.491 377 N N 3.323 121.945 118.700 -0.131 0.000 2.285 377 N HA 0.118 4.858 4.740 0.000 0.000 0.262 377 N C 0.684 176.077 175.510 -0.196 0.000 1.299 377 N CA -0.643 52.162 53.050 -0.408 0.000 0.930 377 N CB 0.267 38.149 38.487 -1.009 0.000 1.157 377 N HN 0.663 nan 8.380 nan 0.000 0.532 378 E N -0.493 119.587 120.200 -0.200 0.000 2.267 378 E HA -0.194 4.156 4.350 0.000 0.000 0.197 378 E C 0.848 177.388 176.600 -0.099 0.000 0.998 378 E CA 1.230 57.567 56.400 -0.105 0.000 0.830 378 E CB 0.033 29.683 29.700 -0.083 0.000 0.751 378 E HN 0.571 nan 8.360 nan 0.000 0.491 379 E N -1.216 118.918 120.200 -0.109 0.000 2.478 379 E HA 0.061 4.411 4.350 0.000 0.000 0.194 379 E C 0.983 177.533 176.600 -0.083 0.000 1.045 379 E CA 0.579 56.958 56.400 -0.036 0.000 0.868 379 E CB 0.729 30.461 29.700 0.053 0.000 0.885 379 E HN 0.323 nan 8.360 nan 0.000 0.505 380 G N -0.304 108.401 108.800 -0.158 0.000 2.157 380 G HA2 -0.301 3.659 3.960 0.000 0.000 0.248 380 G HA3 -0.301 3.659 3.960 0.000 0.000 0.248 380 G C -0.321 174.313 174.900 -0.442 0.000 0.979 380 G CA -0.014 44.906 45.100 -0.300 0.000 0.650 380 G HN 0.239 nan 8.290 nan 0.000 0.529 381 Y N 0.749 120.926 120.300 -0.206 0.000 2.310 381 Y HA 0.610 5.160 4.550 0.000 0.000 0.326 381 Y C 1.327 177.076 175.900 -0.251 0.000 1.151 381 Y CA -0.725 57.237 58.100 -0.229 0.000 1.195 381 Y CB 0.833 39.167 38.460 -0.209 0.000 1.210 381 Y HN 0.054 nan 8.280 nan 0.000 0.483 382 R N 3.152 123.530 120.500 -0.203 0.000 2.216 382 R HA 0.335 4.675 4.340 0.000 0.000 0.332 382 R C -1.139 174.901 176.300 -0.434 0.000 1.056 382 R CA -0.318 55.665 56.100 -0.194 0.000 0.901 382 R CB 0.227 30.465 30.300 -0.103 0.000 1.039 382 R HN 0.765 nan 8.270 nan 0.000 0.456 383 H N 0.533 119.589 119.070 -0.023 0.000 2.949 383 H HA 0.390 4.946 4.556 0.000 0.000 0.356 383 H C -0.304 175.100 175.328 0.126 0.000 1.212 383 H CA -0.850 55.171 56.048 -0.045 0.000 1.136 383 H CB 1.640 31.276 29.762 -0.209 0.000 1.869 383 H HN 0.347 nan 8.280 nan 0.000 0.556 384 I N 1.303 121.976 120.570 0.172 0.000 2.396 384 I HA 0.080 4.250 4.170 0.000 0.000 0.289 384 I C -0.218 175.956 176.117 0.094 0.000 1.056 384 I CA 0.125 61.486 61.300 0.102 0.000 1.365 384 I CB 0.226 38.202 38.000 -0.041 0.000 1.407 384 I HN 0.269 nan 8.210 nan 0.000 0.509 385 c N 7.207 125.803 118.600 -0.006 0.000 2.355 385 c HA 0.396 4.966 4.570 0.000 0.000 0.332 385 c C -0.290 173.675 174.090 -0.208 0.000 1.255 385 c CA -0.470 55.634 56.329 -0.375 0.000 1.792 385 c CB 0.765 42.800 42.510 -0.792 0.000 2.300 385 c HN 0.635 nan 8.230 nan 0.000 0.515 386 Y N 4.803 124.773 120.300 -0.550 0.000 2.341 386 Y HA 0.638 5.188 4.550 0.000 0.000 0.340 386 Y C -1.047 174.373 175.900 -0.800 0.000 0.997 386 Y CA -0.903 56.817 58.100 -0.633 0.000 1.149 386 Y CB 0.169 38.347 38.460 -0.469 0.000 1.171 386 Y HN 0.598 nan 8.280 nan 0.000 0.494 387 F N 4.094 123.283 119.950 -1.269 0.000 2.469 387 F HA 0.520 5.047 4.527 0.000 0.000 0.332 387 F C -0.233 174.786 175.800 -1.302 0.000 1.103 387 F CA -0.722 56.469 58.000 -1.347 0.000 0.979 387 F CB 1.767 39.588 39.000 -1.965 0.000 1.137 387 F HN 0.364 nan 8.300 nan 0.000 0.463 388 Q N 2.792 122.191 119.800 -0.669 0.000 2.333 388 Q HA 0.410 4.750 4.340 0.000 0.000 0.267 388 Q C 0.824 176.786 176.000 -0.062 0.000 1.012 388 Q CA -0.602 54.974 55.803 -0.377 0.000 0.824 388 Q CB 2.776 31.314 28.738 -0.334 0.000 1.290 388 Q HN 0.732 nan 8.270 nan 0.000 0.449 389 I N 1.122 121.737 120.570 0.075 0.000 2.208 389 I HA -0.277 3.893 4.170 0.000 0.000 0.245 389 I C 0.862 177.067 176.117 0.146 0.000 1.097 389 I CA 1.442 62.885 61.300 0.237 0.000 1.363 389 I CB 0.256 38.420 38.000 0.274 0.000 1.051 389 I HN 0.671 nan 8.210 nan 0.000 0.413 390 D N 0.635 121.074 120.400 0.065 0.000 2.388 390 D HA 0.086 4.726 4.640 0.000 0.000 0.221 390 D C 0.151 176.449 176.300 -0.004 0.000 1.133 390 D CA 0.293 54.304 54.000 0.017 0.000 0.831 390 D CB 0.383 41.191 40.800 0.013 0.000 0.962 390 D HN 0.210 nan 8.370 nan 0.000 0.502 391 K N 0.619 121.023 120.400 0.007 0.000 2.156 391 K HA 0.221 4.541 4.320 0.000 0.000 0.254 391 K C 1.284 177.898 176.600 0.024 0.000 0.950 391 K CA -0.446 55.832 56.287 -0.014 0.000 0.849 391 K CB 2.430 34.895 32.500 -0.059 0.000 1.100 391 K HN -0.069 nan 8.250 nan 0.000 0.434 392 K N 0.168 120.562 120.400 -0.009 0.000 2.007 392 K HA -0.010 4.310 4.320 0.000 0.000 0.206 392 K C 0.545 177.169 176.600 0.039 0.000 1.047 392 K CA 0.822 57.112 56.287 0.005 0.000 0.937 392 K CB 0.059 32.547 32.500 -0.020 0.000 0.718 392 K HN 0.374 nan 8.250 nan 0.000 0.438 393 D N 0.292 120.657 120.400 -0.058 0.000 2.446 393 D HA 0.250 4.890 4.640 0.000 0.000 0.288 393 D C 0.074 176.139 176.300 -0.392 0.000 1.195 393 D CA 0.054 53.966 54.000 -0.146 0.000 1.095 393 D CB 1.120 41.832 40.800 -0.148 0.000 1.153 393 D HN 0.471 nan 8.370 nan 0.000 0.568 394 c N -2.082 116.156 118.600 -0.604 0.000 3.291 394 c HA 0.755 5.325 4.570 0.000 0.000 0.316 394 c C -0.657 173.028 174.090 -0.674 0.000 1.391 394 c CA -0.625 55.121 56.329 -0.972 0.000 1.394 394 c CB 1.223 42.511 42.510 -2.036 0.000 1.744 394 c HN 0.438 nan 8.230 nan 0.000 0.461 395 T N 1.944 116.140 114.554 -0.596 0.000 2.779 395 T HA 0.556 4.906 4.350 0.000 0.000 0.280 395 T C -0.750 173.728 174.700 -0.371 0.000 0.987 395 T CA 0.137 62.051 62.100 -0.311 0.000 0.966 395 T CB 0.447 69.286 68.868 -0.048 0.000 0.933 395 T HN 0.471 nan 8.240 nan 0.000 0.442 396 F N 2.434 122.290 119.950 -0.158 0.000 2.443 396 F HA 0.323 4.850 4.527 0.000 0.000 0.353 396 F C 1.103 176.785 175.800 -0.197 0.000 1.101 396 F CA -0.650 57.248 58.000 -0.170 0.000 1.226 396 F CB 0.619 39.517 39.000 -0.170 0.000 1.140 396 F HN 0.447 nan 8.300 nan 0.000 0.557 397 I N 0.522 121.048 120.570 -0.074 0.000 4.312 397 I HA 0.046 4.216 4.170 0.000 0.000 0.324 397 I C 0.574 176.562 176.117 -0.214 0.000 1.298 397 I CA 0.542 61.617 61.300 -0.375 0.000 1.231 397 I CB 0.255 37.916 38.000 -0.566 0.000 1.152 397 I HN 0.617 nan 8.210 nan 0.000 0.421 398 T N -0.653 113.819 114.554 -0.136 0.000 2.916 398 T HA 0.774 5.124 4.350 0.000 0.000 0.292 398 T C -0.620 173.722 174.700 -0.596 0.000 1.055 398 T CA -0.797 61.190 62.100 -0.189 0.000 1.009 398 T CB 2.623 71.464 68.868 -0.046 0.000 1.118 398 T HN 0.152 nan 8.240 nan 0.000 0.497 399 K N -0.409 119.473 120.400 -0.862 0.000 2.579 399 K HA 0.800 5.120 4.320 0.000 0.000 0.284 399 K C -0.442 175.479 176.600 -1.132 0.000 0.990 399 K CA -0.932 54.562 56.287 -1.322 0.000 0.880 399 K CB 1.453 33.563 32.500 -0.650 0.000 1.488 399 K HN 1.530 nan 8.250 nan 0.000 0.425 400 G N -0.199 107.982 108.800 -1.031 0.000 2.353 400 G HA2 0.020 3.980 3.960 0.000 0.000 0.424 400 G HA3 0.020 3.980 3.960 0.000 0.000 0.424 400 G C -0.760 173.577 174.900 -0.939 0.000 1.320 400 G CA -0.533 44.111 45.100 -0.759 0.000 0.995 400 G HN 0.470 nan 8.290 nan 0.000 0.580 401 T N 2.116 116.244 114.554 -0.711 0.000 3.624 401 T HA 0.395 4.745 4.350 0.000 0.000 0.231 401 T C 0.136 174.562 174.700 -0.457 0.000 0.865 401 T CA 0.879 62.414 62.100 -0.942 0.000 0.926 401 T CB -1.084 67.505 68.868 -0.464 0.000 1.189 401 T HN 0.599 nan 8.240 nan 0.000 0.640 402 W N -0.352 120.760 121.300 -0.314 0.000 3.018 402 W HA 0.696 5.356 4.660 0.000 0.000 0.382 402 W C -1.101 175.396 176.519 -0.037 0.000 1.161 402 W CA -1.046 56.260 57.345 -0.064 0.000 1.144 402 W CB 0.983 30.413 29.460 -0.050 0.000 1.499 402 W HN -0.110 nan 8.180 nan 0.000 0.596 403 E N 0.720 121.151 120.200 0.385 0.000 2.340 403 E HA 0.402 4.752 4.350 0.000 0.000 0.273 403 E C -1.208 175.552 176.600 0.266 0.000 0.891 403 E CA -1.080 55.359 56.400 0.064 0.000 0.757 403 E CB 3.406 33.162 29.700 0.093 0.000 1.231 403 E HN 0.144 nan 8.360 nan 0.000 0.439 404 V N 3.523 123.460 119.914 0.039 0.000 2.508 404 V HA 0.003 4.123 4.120 0.000 0.000 0.281 404 V C 0.892 177.080 176.094 0.156 0.000 1.041 404 V CA 0.191 62.587 62.300 0.161 0.000 1.016 404 V CB 0.546 32.376 31.823 0.013 0.000 0.984 404 V HN 0.660 nan 8.190 nan 0.000 0.478 405 I N 3.457 124.139 120.570 0.188 0.000 2.296 405 I HA 0.292 4.462 4.170 0.000 0.000 0.242 405 I C 1.231 177.454 176.117 0.177 0.000 1.087 405 I CA 1.042 62.442 61.300 0.166 0.000 1.393 405 I CB -0.431 37.604 38.000 0.057 0.000 1.093 405 I HN 0.765 nan 8.210 nan 0.000 0.421 406 G N -0.372 108.533 108.800 0.175 0.000 2.720 406 G HA2 0.580 4.540 3.960 0.000 0.000 0.295 406 G HA3 0.580 4.540 3.960 0.000 0.000 0.295 406 G C -1.297 173.687 174.900 0.140 0.000 1.437 406 G CA -0.532 44.666 45.100 0.164 0.000 0.886 406 G HN -0.053 nan 8.290 nan 0.000 0.509 407 I N 1.482 122.067 120.570 0.025 0.000 2.371 407 I HA 0.255 4.425 4.170 0.000 0.000 0.290 407 I C 0.660 176.706 176.117 -0.119 0.000 1.028 407 I CA -0.459 60.755 61.300 -0.144 0.000 1.345 407 I CB 1.677 39.331 38.000 -0.577 0.000 1.407 407 I HN 0.504 nan 8.210 nan 0.000 0.501 408 E N 4.789 124.972 120.200 -0.028 0.000 2.364 408 E HA 0.365 4.715 4.350 0.000 0.000 0.203 408 E C 0.052 176.583 176.600 -0.116 0.000 0.888 408 E CA 0.189 56.615 56.400 0.044 0.000 0.989 408 E CB 0.977 30.792 29.700 0.192 0.000 0.985 408 E HN 0.658 nan 8.360 nan 0.000 0.499 409 A N 0.791 123.448 122.820 -0.272 0.000 2.589 409 A HA 0.613 4.933 4.320 0.000 0.000 0.296 409 A C -1.982 175.526 177.584 -0.126 0.000 1.062 409 A CA -0.627 51.186 52.037 -0.373 0.000 0.686 409 A CB 1.340 19.612 19.000 -1.213 0.000 1.282 409 A HN 0.041 nan 8.150 nan 0.000 0.404 410 L N 1.714 122.912 121.223 -0.042 0.000 2.439 410 L HA 0.788 5.128 4.340 0.000 0.000 0.270 410 L C 0.206 177.116 176.870 0.066 0.000 0.972 410 L CA 0.443 55.290 54.840 0.012 0.000 0.836 410 L CB 1.986 44.072 42.059 0.045 0.000 1.255 410 L HN 1.156 nan 8.230 nan 0.000 0.404 411 T N -0.210 114.402 114.554 0.097 0.000 2.870 411 T HA 0.409 4.759 4.350 0.000 0.000 0.277 411 T C 1.125 175.873 174.700 0.080 0.000 1.000 411 T CA 0.072 62.240 62.100 0.113 0.000 0.982 411 T CB 1.135 70.108 68.868 0.175 0.000 1.249 411 T HN 0.646 nan 8.240 nan 0.000 0.589 412 S N -0.342 115.402 115.700 0.074 0.000 2.442 412 S HA -0.096 4.374 4.470 0.000 0.000 0.236 412 S C 0.879 175.459 174.600 -0.034 0.000 1.007 412 S CA 1.141 59.366 58.200 0.043 0.000 0.965 412 S CB -0.525 62.702 63.200 0.045 0.000 0.773 412 S HN 0.738 nan 8.310 nan 0.000 0.504 413 D N -1.015 119.336 120.400 -0.081 0.000 2.454 413 D HA 0.235 4.875 4.640 0.000 0.000 0.219 413 D C -0.635 175.267 176.300 -0.662 0.000 1.081 413 D CA 0.418 54.209 54.000 -0.348 0.000 0.867 413 D CB 0.346 40.931 40.800 -0.359 0.000 1.054 413 D HN 0.419 nan 8.370 nan 0.000 0.500 414 Y N 0.254 120.500 120.300 -0.090 0.000 2.524 414 Y HA 0.478 5.028 4.550 0.000 0.000 0.347 414 Y C -0.550 175.183 175.900 -0.279 0.000 1.005 414 Y CA -0.903 57.049 58.100 -0.246 0.000 1.025 414 Y CB 2.470 40.676 38.460 -0.423 0.000 1.275 414 Y HN -0.264 nan 8.280 nan 0.000 0.460 415 L N 3.355 124.454 121.223 -0.206 0.000 2.333 415 L HA 0.605 4.945 4.340 0.000 0.000 0.280 415 L C -1.813 174.905 176.870 -0.254 0.000 1.004 415 L CA -0.680 54.021 54.840 -0.231 0.000 0.820 415 L CB 0.919 42.761 42.059 -0.362 0.000 1.247 415 L HN 0.628 nan 8.230 nan 0.000 0.416 416 Y N 4.949 125.164 120.300 -0.142 0.000 2.331 416 Y HA 0.492 5.042 4.550 0.000 0.000 0.338 416 Y C -0.493 175.388 175.900 -0.031 0.000 0.992 416 Y CA -0.380 57.628 58.100 -0.153 0.000 1.121 416 Y CB 1.231 39.465 38.460 -0.378 0.000 1.184 416 Y HN 0.513 nan 8.280 nan 0.000 0.469 417 Y N 0.620 120.964 120.300 0.073 0.000 2.588 417 Y HA 0.816 5.366 4.550 0.000 0.000 0.343 417 Y C -1.586 174.386 175.900 0.121 0.000 1.065 417 Y CA -1.945 56.192 58.100 0.062 0.000 1.038 417 Y CB 1.177 39.652 38.460 0.025 0.000 1.297 417 Y HN 0.409 nan 8.280 nan 0.000 0.467 418 I N 3.499 124.217 120.570 0.248 0.000 2.359 418 I HA 0.555 4.725 4.170 0.000 0.000 0.294 418 I C -0.205 176.081 176.117 0.282 0.000 0.987 418 I CA -0.465 60.935 61.300 0.166 0.000 1.225 418 I CB 1.812 39.860 38.000 0.080 0.000 1.366 418 I HN 0.858 nan 8.210 nan 0.000 0.466 419 S N 3.676 119.506 115.700 0.217 0.000 2.661 419 S HA 0.365 4.835 4.470 0.000 0.000 0.285 419 S C -0.195 174.432 174.600 0.045 0.000 1.138 419 S CA -0.965 57.327 58.200 0.153 0.000 0.855 419 S CB 1.613 64.834 63.200 0.035 0.000 1.136 419 S HN 0.777 nan 8.310 nan 0.000 0.484 420 N N -0.518 118.206 118.700 0.039 0.000 2.327 420 N HA 0.116 4.856 4.740 0.000 0.000 0.231 420 N C 0.863 176.341 175.510 -0.054 0.000 1.130 420 N CA -0.359 52.688 53.050 -0.006 0.000 0.845 420 N CB 0.241 38.722 38.487 -0.010 0.000 1.073 420 N HN 0.769 nan 8.380 nan 0.000 0.496 421 E N 0.745 120.760 120.200 -0.309 0.000 2.051 421 E HA -0.236 4.114 4.350 0.000 0.000 0.192 421 E C -0.242 176.238 176.600 -0.199 0.000 0.991 421 E CA 0.583 56.588 56.400 -0.658 0.000 0.799 421 E CB -0.081 28.665 29.700 -1.590 0.000 0.748 421 E HN 0.437 nan 8.360 nan 0.000 0.449 422 Y N 2.104 122.327 120.300 -0.128 0.000 2.865 422 Y HA -0.181 4.369 4.550 0.000 0.000 0.338 422 Y C 0.248 176.125 175.900 -0.039 0.000 1.269 422 Y CA 1.011 59.086 58.100 -0.043 0.000 1.585 422 Y CB -0.137 38.316 38.460 -0.011 0.000 1.224 422 Y HN 0.091 nan 8.280 nan 0.000 0.554 423 K N 3.505 123.662 120.400 -0.406 0.000 3.016 423 K HA -0.250 4.070 4.320 0.000 0.000 0.262 423 K C 0.925 177.473 176.600 -0.088 0.000 1.043 423 K CA 0.713 56.813 56.287 -0.313 0.000 0.761 423 K CB -1.893 30.347 32.500 -0.434 0.000 1.230 423 K HN 1.245 nan 8.250 nan 0.000 0.485 424 G N 0.413 109.184 108.800 -0.049 0.000 2.269 424 G HA2 -0.350 3.610 3.960 0.000 0.000 0.277 424 G HA3 -0.350 3.610 3.960 0.000 0.000 0.277 424 G C 0.083 174.986 174.900 0.006 0.000 1.008 424 G CA 0.997 46.112 45.100 0.026 0.000 0.774 424 G HN 0.392 nan 8.290 nan 0.000 0.511 425 M N 0.112 119.643 119.600 -0.115 0.000 2.094 425 M HA 0.267 4.747 4.480 0.000 0.000 0.348 425 M C -1.316 174.754 176.300 -0.384 0.000 1.267 425 M CA -1.935 53.120 55.300 -0.409 0.000 1.125 425 M CB 1.566 34.007 32.600 -0.264 0.000 1.527 425 M HN -0.161 nan 8.290 nan 0.000 0.447 426 P HA -0.056 nan 4.420 nan 0.000 0.225 426 P C 1.110 178.273 177.300 -0.228 0.000 1.148 426 P CA 0.891 63.820 63.100 -0.286 0.000 0.779 426 P CB 0.240 31.759 31.700 -0.302 0.000 0.780 427 G N -1.212 107.400 108.800 -0.314 0.000 3.233 427 G HA2 0.290 4.250 3.960 0.000 0.000 0.234 427 G HA3 0.290 4.250 3.960 0.000 0.000 0.234 427 G C 0.613 175.524 174.900 0.018 0.000 1.137 427 G CA 0.021 45.056 45.100 -0.108 0.000 0.763 427 G HN 0.357 nan 8.290 nan 0.000 0.549 428 G N -0.080 108.679 108.800 -0.068 0.000 2.434 428 G HA2 0.634 4.594 3.960 0.000 0.000 0.330 428 G HA3 0.634 4.594 3.960 0.000 0.000 0.330 428 G C -0.766 174.026 174.900 -0.179 0.000 1.155 428 G CA -0.731 44.354 45.100 -0.024 0.000 0.917 428 G HN 0.088 nan 8.290 nan 0.000 0.493 429 R N 1.128 121.469 120.500 -0.265 0.000 2.533 429 R HA 0.401 4.741 4.340 0.000 0.000 0.288 429 R C -1.354 174.891 176.300 -0.091 0.000 1.039 429 R CA -0.799 55.109 56.100 -0.321 0.000 0.909 429 R CB 2.162 31.994 30.300 -0.780 0.000 1.195 429 R HN 0.576 nan 8.270 nan 0.000 0.438 430 N N 1.813 120.484 118.700 -0.049 0.000 2.277 430 N HA 0.284 5.024 4.740 0.000 0.000 0.286 430 N C -1.236 174.141 175.510 -0.222 0.000 1.140 430 N CA -0.822 52.125 53.050 -0.172 0.000 0.799 430 N CB 2.677 40.966 38.487 -0.329 0.000 1.596 430 N HN 0.262 nan 8.380 nan 0.000 0.473 431 L N 2.515 123.483 121.223 -0.425 0.000 2.331 431 L HA 0.385 4.725 4.340 0.000 0.000 0.278 431 L C -1.169 175.320 176.870 -0.635 0.000 1.106 431 L CA 0.293 54.903 54.840 -0.384 0.000 0.824 431 L CB -0.310 41.527 42.059 -0.370 0.000 1.142 431 L HN 0.413 nan 8.230 nan 0.000 0.443 432 Y N 3.777 123.716 120.300 -0.601 0.000 2.630 432 Y HA 0.625 5.175 4.550 0.000 0.000 0.337 432 Y C -0.232 175.324 175.900 -0.575 0.000 1.051 432 Y CA -0.916 56.773 58.100 -0.684 0.000 1.121 432 Y CB 1.470 39.295 38.460 -1.059 0.000 1.299 432 Y HN 0.448 nan 8.280 nan 0.000 0.498 433 K N 2.039 122.294 120.400 -0.242 0.000 2.535 433 K HA 0.574 4.894 4.320 0.000 0.000 0.250 433 K C -2.064 174.497 176.600 -0.065 0.000 0.948 433 K CA -0.341 55.754 56.287 -0.319 0.000 0.796 433 K CB 1.230 33.480 32.500 -0.417 0.000 1.216 433 K HN 0.733 nan 8.250 nan 0.000 0.432 434 I N 3.455 124.025 120.570 -0.001 0.000 2.377 434 I HA 0.212 4.382 4.170 0.000 0.000 0.293 434 I C 0.165 176.330 176.117 0.080 0.000 0.987 434 I CA -0.842 60.517 61.300 0.098 0.000 1.185 434 I CB 1.939 40.000 38.000 0.102 0.000 1.341 434 I HN 0.443 nan 8.210 nan 0.000 0.455 435 Q N 5.140 124.975 119.800 0.059 0.000 2.286 435 Q HA 0.219 4.559 4.340 0.000 0.000 0.267 435 Q C 0.748 176.695 176.000 -0.089 0.000 1.028 435 Q CA -0.114 55.593 55.803 -0.160 0.000 0.901 435 Q CB 1.343 30.017 28.738 -0.106 0.000 1.183 435 Q HN 0.669 nan 8.270 nan 0.000 0.392 436 L N 1.525 122.643 121.223 -0.174 0.000 2.291 436 L HA -0.143 4.197 4.340 0.000 0.000 0.214 436 L C 2.277 179.051 176.870 -0.159 0.000 1.120 436 L CA 0.911 55.728 54.840 -0.039 0.000 0.799 436 L CB -0.320 41.701 42.059 -0.064 0.000 0.925 436 L HN 0.643 nan 8.230 nan 0.000 0.446 437 S N -2.032 113.551 115.700 -0.196 0.000 2.481 437 S HA -0.087 4.383 4.470 0.000 0.000 0.231 437 S C 0.594 175.045 174.600 -0.247 0.000 0.996 437 S CA 0.429 58.505 58.200 -0.207 0.000 0.942 437 S CB 0.019 63.126 63.200 -0.156 0.000 0.768 437 S HN 0.374 nan 8.310 nan 0.000 0.520 438 D N -0.420 119.850 120.400 -0.216 0.000 2.318 438 D HA 0.227 4.867 4.640 0.000 0.000 0.233 438 D C -0.510 175.773 176.300 -0.028 0.000 1.348 438 D CA -0.568 53.327 54.000 -0.176 0.000 0.983 438 D CB 0.230 40.975 40.800 -0.093 0.000 1.416 438 D HN -0.035 nan 8.370 nan 0.000 0.558 439 Y N 0.907 121.185 120.300 -0.037 0.000 2.483 439 Y HA -0.104 4.446 4.550 0.000 0.000 0.291 439 Y C 2.530 178.435 175.900 0.009 0.000 1.143 439 Y CA 1.544 59.633 58.100 -0.019 0.000 1.289 439 Y CB -0.781 37.667 38.460 -0.020 0.000 0.983 439 Y HN 0.434 nan 8.280 nan 0.000 0.556 440 T N -3.093 111.546 114.554 0.143 0.000 3.081 440 T HA 0.026 4.376 4.350 0.000 0.000 0.255 440 T C 0.708 175.460 174.700 0.087 0.000 1.113 440 T CA -0.061 62.099 62.100 0.100 0.000 1.082 440 T CB -0.074 68.829 68.868 0.060 0.000 0.939 440 T HN -0.031 nan 8.240 nan 0.000 0.506 441 K N 2.653 123.102 120.400 0.082 0.000 2.142 441 K HA 0.416 4.736 4.320 0.000 0.000 0.250 441 K C -0.999 175.661 176.600 0.100 0.000 1.148 441 K CA -0.149 56.182 56.287 0.074 0.000 1.040 441 K CB 0.843 33.373 32.500 0.051 0.000 1.569 441 K HN 0.212 nan 8.250 nan 0.000 0.361 442 V N 2.180 122.158 119.914 0.106 0.000 2.417 442 V HA 0.264 4.384 4.120 0.000 0.000 0.291 442 V C 0.070 176.223 176.094 0.099 0.000 1.024 442 V CA -0.710 61.667 62.300 0.129 0.000 0.861 442 V CB 1.888 33.818 31.823 0.179 0.000 0.985 442 V HN 0.508 nan 8.190 nan 0.000 0.436 443 T N 3.229 117.814 114.554 0.051 0.000 2.792 443 T HA 0.249 4.599 4.350 0.000 0.000 0.280 443 T C -0.307 174.310 174.700 -0.138 0.000 0.990 443 T CA -0.280 61.802 62.100 -0.030 0.000 0.960 443 T CB 1.243 70.070 68.868 -0.068 0.000 0.939 443 T HN 0.773 nan 8.240 nan 0.000 0.439 444 C N 4.854 124.001 119.300 -0.255 0.000 2.576 444 C HA 0.372 4.832 4.460 0.000 0.000 0.401 444 C C 1.604 176.276 174.990 -0.530 0.000 1.314 444 C CA -0.475 58.123 59.018 -0.699 0.000 1.855 444 C CB -1.695 25.550 27.740 -0.825 0.000 2.537 444 C HN 0.976 nan 8.230 nan 0.000 0.578 445 L N 4.684 125.557 121.223 -0.582 0.000 2.585 445 L HA 0.113 4.453 4.340 0.000 0.000 0.226 445 L C 1.921 178.497 176.870 -0.490 0.000 1.113 445 L CA 0.710 55.301 54.840 -0.416 0.000 0.876 445 L CB -0.141 41.715 42.059 -0.340 0.000 1.072 445 L HN 0.912 nan 8.230 nan 0.000 0.468 446 S N -3.802 111.492 115.700 -0.677 0.000 2.648 446 S HA -0.021 4.449 4.470 0.000 0.000 0.270 446 S C 1.758 175.929 174.600 -0.715 0.000 1.082 446 S CA -0.027 57.645 58.200 -0.881 0.000 1.116 446 S CB -0.256 62.054 63.200 -1.483 0.000 1.040 446 S HN 0.245 nan 8.310 nan 0.000 0.572 447 C N 2.870 121.740 119.300 -0.716 0.000 2.349 447 C HA -0.088 4.372 4.460 0.000 0.000 0.274 447 C C 2.248 176.946 174.990 -0.486 0.000 1.178 447 C CA 1.493 60.021 59.018 -0.816 0.000 1.769 447 C CB -0.876 26.229 27.740 -1.058 0.000 2.047 447 C HN 0.619 nan 8.230 nan 0.000 0.448 448 E N 0.270 120.273 120.200 -0.329 0.000 2.465 448 E HA 0.185 4.535 4.350 0.000 0.000 0.195 448 E C 1.818 178.364 176.600 -0.091 0.000 1.028 448 E CA -0.041 56.268 56.400 -0.151 0.000 0.899 448 E CB -0.239 29.399 29.700 -0.104 0.000 1.032 448 E HN 0.666 nan 8.360 nan 0.000 0.468 449 L N 0.410 121.569 121.223 -0.106 0.000 2.046 449 L HA -0.069 4.271 4.340 0.000 0.000 0.208 449 L C 0.910 177.789 176.870 0.016 0.000 1.077 449 L CA 0.956 55.777 54.840 -0.032 0.000 0.747 449 L CB -0.031 42.017 42.059 -0.018 0.000 0.896 449 L HN 0.058 nan 8.230 nan 0.000 0.432 450 N N -1.620 117.102 118.700 0.037 0.000 3.153 450 N HA 0.096 4.836 4.740 0.000 0.000 0.208 450 N C -2.327 173.209 175.510 0.044 0.000 1.462 450 N CA -0.777 52.294 53.050 0.034 0.000 0.754 450 N CB 0.875 39.379 38.487 0.029 0.000 1.558 450 N HN -0.231 nan 8.380 nan 0.000 0.605 451 P HA 0.031 nan 4.420 nan 0.000 0.223 451 P C 0.574 177.920 177.300 0.077 0.000 1.151 451 P CA 1.068 64.216 63.100 0.081 0.000 0.787 451 P CB 0.742 32.508 31.700 0.109 0.000 0.788 452 E N -0.433 119.794 120.200 0.045 0.000 2.051 452 E HA -0.070 4.280 4.350 0.000 0.000 0.189 452 E C 2.232 178.838 176.600 0.010 0.000 0.979 452 E CA 0.840 57.258 56.400 0.030 0.000 0.803 452 E CB -0.473 29.236 29.700 0.016 0.000 0.761 452 E HN 0.113 nan 8.360 nan 0.000 0.451 453 R N -0.557 119.938 120.500 -0.009 0.000 2.127 453 R HA 0.118 4.458 4.340 0.000 0.000 0.217 453 R C -0.266 175.994 176.300 -0.067 0.000 1.074 453 R CA 0.716 56.788 56.100 -0.047 0.000 0.991 453 R CB 0.231 30.493 30.300 -0.062 0.000 0.895 453 R HN 0.148 nan 8.270 nan 0.000 0.450 454 c N 0.641 119.214 118.600 -0.046 0.000 2.344 454 c HA 0.392 4.962 4.570 0.000 0.000 0.326 454 c C -0.111 173.964 174.090 -0.024 0.000 1.201 454 c CA -0.664 55.586 56.329 -0.132 0.000 1.410 454 c CB 1.435 43.848 42.510 -0.163 0.000 2.070 454 c HN 0.535 nan 8.230 nan 0.000 0.445 455 Q N 0.584 120.359 119.800 -0.041 0.000 2.103 455 Q HA 0.202 4.542 4.340 0.000 0.000 0.219 455 Q C -0.942 175.114 176.000 0.093 0.000 0.784 455 Q CA 0.091 55.946 55.803 0.087 0.000 1.014 455 Q CB 1.290 30.100 28.738 0.121 0.000 1.183 455 Q HN 0.784 nan 8.270 nan 0.000 0.469 456 Y N 0.475 120.653 120.300 -0.203 0.000 2.535 456 Y HA 0.347 4.897 4.550 0.000 0.000 0.341 456 Y C -1.655 174.088 175.900 -0.262 0.000 1.041 456 Y CA -1.049 56.962 58.100 -0.149 0.000 1.307 456 Y CB 0.533 38.922 38.460 -0.118 0.000 1.095 456 Y HN -0.066 nan 8.280 nan 0.000 0.534 457 Y N 2.145 122.370 120.300 -0.126 0.000 2.387 457 Y HA 0.622 5.172 4.550 0.000 0.000 0.330 457 Y C 0.521 176.368 175.900 -0.089 0.000 1.133 457 Y CA -0.360 57.685 58.100 -0.093 0.000 1.152 457 Y CB 2.017 40.391 38.460 -0.143 0.000 1.215 457 Y HN 0.488 nan 8.280 nan 0.000 0.466 458 S N 1.129 116.914 115.700 0.142 0.000 2.667 458 S HA 0.873 5.343 4.470 0.000 0.000 0.292 458 S C -1.665 173.008 174.600 0.122 0.000 1.126 458 S CA -0.705 57.566 58.200 0.118 0.000 0.881 458 S CB 1.869 65.147 63.200 0.131 0.000 1.132 458 S HN 0.609 nan 8.310 nan 0.000 0.492 459 V N 0.551 120.537 119.914 0.120 0.000 3.049 459 V HA 0.841 4.961 4.120 0.000 0.000 0.309 459 V C -1.218 174.964 176.094 0.148 0.000 1.148 459 V CA -0.177 62.170 62.300 0.079 0.000 0.990 459 V CB 2.307 34.106 31.823 -0.041 0.000 1.039 459 V HN 1.207 nan 8.190 nan 0.000 0.430 460 S N 5.158 120.944 115.700 0.143 0.000 2.774 460 S HA 0.656 5.126 4.470 0.000 0.000 0.297 460 S C -1.076 173.700 174.600 0.295 0.000 1.143 460 S CA -0.400 57.984 58.200 0.306 0.000 1.090 460 S CB 0.371 63.791 63.200 0.367 0.000 1.019 460 S HN 0.487 nan 8.310 nan 0.000 0.482 461 F N 3.130 123.156 119.950 0.127 0.000 2.382 461 F HA 0.424 4.951 4.527 0.000 0.000 0.331 461 F C 1.493 176.885 175.800 -0.679 0.000 1.121 461 F CA -0.160 57.738 58.000 -0.171 0.000 1.183 461 F CB 1.255 40.137 39.000 -0.197 0.000 1.207 461 F HN 0.656 nan 8.300 nan 0.000 0.555 462 S N 1.434 116.517 115.700 -1.028 0.000 2.634 462 S HA 0.304 4.774 4.470 0.000 0.000 0.261 462 S C -0.341 174.081 174.600 -0.296 0.000 1.271 462 S CA -1.113 56.381 58.200 -1.178 0.000 0.985 462 S CB 0.444 62.935 63.200 -1.182 0.000 0.968 462 S HN 0.514 nan 8.310 nan 0.000 0.568 463 K N 1.275 121.628 120.400 -0.078 0.000 2.484 463 K HA 0.009 4.329 4.320 0.000 0.000 0.280 463 K C 0.387 176.997 176.600 0.015 0.000 1.013 463 K CA 0.713 57.023 56.287 0.038 0.000 1.029 463 K CB -0.077 32.488 32.500 0.109 0.000 0.902 463 K HN 0.816 nan 8.250 nan 0.000 0.481 464 E N 1.072 121.289 120.200 0.028 0.000 3.799 464 E HA -0.329 4.021 4.350 0.000 0.000 0.320 464 E C -0.031 176.559 176.600 -0.017 0.000 0.760 464 E CA 0.652 57.064 56.400 0.021 0.000 1.153 464 E CB -1.165 28.557 29.700 0.037 0.000 1.589 464 E HN 0.887 nan 8.360 nan 0.000 0.448 465 A N -0.346 122.445 122.820 -0.048 0.000 2.822 465 A HA -0.371 3.949 4.320 0.000 0.000 0.287 465 A C 1.146 178.707 177.584 -0.039 0.000 1.479 465 A CA 2.018 54.043 52.037 -0.019 0.000 0.779 465 A CB -1.816 17.067 19.000 -0.195 0.000 1.022 465 A HN 0.386 nan 8.150 nan 0.000 0.532 466 K N -1.701 118.616 120.400 -0.137 0.000 2.217 466 K HA 0.057 4.377 4.320 0.000 0.000 0.202 466 K C 0.145 176.369 176.600 -0.626 0.000 1.051 466 K CA 1.528 57.603 56.287 -0.352 0.000 0.952 466 K CB -0.023 32.241 32.500 -0.393 0.000 0.736 466 K HN 0.731 nan 8.250 nan 0.000 0.453 467 Y N -1.117 119.127 120.300 -0.093 0.000 2.605 467 Y HA 0.325 4.875 4.550 0.000 0.000 0.343 467 Y C -0.925 174.903 175.900 -0.120 0.000 1.036 467 Y CA -1.475 56.572 58.100 -0.087 0.000 1.065 467 Y CB 1.557 40.012 38.460 -0.009 0.000 1.288 467 Y HN -0.068 nan 8.280 nan 0.000 0.481 468 Y N -1.114 119.156 120.300 -0.050 0.000 2.534 468 Y HA 0.514 5.064 4.550 0.000 0.000 0.345 468 Y C -1.116 174.807 175.900 0.039 0.000 1.031 468 Y CA -1.604 56.318 58.100 -0.297 0.000 1.022 468 Y CB 1.459 39.209 38.460 -1.183 0.000 1.292 468 Y HN 0.598 nan 8.280 nan 0.000 0.459 469 Q N 3.850 123.785 119.800 0.225 0.000 2.303 469 Q HA 0.487 4.827 4.340 0.000 0.000 0.257 469 Q C -1.605 174.473 176.000 0.130 0.000 0.941 469 Q CA -0.553 55.336 55.803 0.144 0.000 0.931 469 Q CB 1.038 29.837 28.738 0.103 0.000 1.215 469 Q HN 0.961 nan 8.270 nan 0.000 0.437 470 L N 4.226 125.533 121.223 0.140 0.000 2.312 470 L HA 0.499 4.839 4.340 0.000 0.000 0.281 470 L C 0.013 176.952 176.870 0.116 0.000 1.070 470 L CA -0.410 54.516 54.840 0.142 0.000 0.805 470 L CB 1.276 43.398 42.059 0.105 0.000 1.174 470 L HN 0.601 nan 8.230 nan 0.000 0.434 471 R N 3.272 123.823 120.500 0.085 0.000 2.435 471 R HA 0.351 4.691 4.340 0.000 0.000 0.308 471 R C -1.039 175.114 176.300 -0.244 0.000 0.975 471 R CA -0.499 55.498 56.100 -0.173 0.000 0.867 471 R CB 1.367 31.598 30.300 -0.115 0.000 1.171 471 R HN 0.747 nan 8.270 nan 0.000 0.470 472 c N 2.526 120.849 118.600 -0.462 0.000 2.405 472 c HA 0.529 5.099 4.570 0.000 0.000 0.365 472 c C 0.799 174.643 174.090 -0.410 0.000 1.233 472 c CA -0.174 55.774 56.329 -0.636 0.000 2.230 472 c CB 1.436 43.526 42.510 -0.700 0.000 2.443 472 c HN 0.985 nan 8.230 nan 0.000 0.556 473 S N 1.633 117.173 115.700 -0.267 0.000 2.687 473 S HA 0.545 5.015 4.470 0.000 0.000 0.247 473 S C 0.267 174.811 174.600 -0.093 0.000 1.050 473 S CA 0.508 58.622 58.200 -0.143 0.000 1.063 473 S CB 0.408 63.552 63.200 -0.093 0.000 1.039 473 S HN 1.467 nan 8.310 nan 0.000 0.580 474 G N 1.479 110.216 108.800 -0.105 0.000 2.320 474 G HA2 0.250 4.210 3.960 0.000 0.000 0.297 474 G HA3 0.250 4.210 3.960 0.000 0.000 0.297 474 G C -2.984 171.896 174.900 -0.034 0.000 1.344 474 G CA -0.552 44.529 45.100 -0.032 0.000 0.851 474 G HN -0.191 nan 8.290 nan 0.000 0.567 475 P HA 0.120 nan 4.420 nan 0.000 0.233 475 P C 1.312 178.644 177.300 0.053 0.000 1.167 475 P CA 1.411 64.541 63.100 0.049 0.000 0.770 475 P CB 0.288 32.014 31.700 0.044 0.000 0.837 476 G N 0.307 109.067 108.800 -0.067 0.000 2.509 476 G HA2 0.404 4.364 3.960 0.000 0.000 0.269 476 G HA3 0.404 4.364 3.960 0.000 0.000 0.269 476 G C -0.286 174.354 174.900 -0.434 0.000 1.416 476 G CA -0.746 44.228 45.100 -0.210 0.000 1.052 476 G HN 0.026 nan 8.290 nan 0.000 0.542 477 L N 1.265 122.160 121.223 -0.547 0.000 2.453 477 L HA 0.170 4.510 4.340 0.000 0.000 0.272 477 L C -1.912 174.791 176.870 -0.279 0.000 1.182 477 L CA -1.309 53.191 54.840 -0.566 0.000 0.858 477 L CB 0.623 42.428 42.059 -0.422 0.000 1.120 477 L HN 0.222 nan 8.230 nan 0.000 0.474 478 P HA -0.025 nan 4.420 nan 0.000 0.261 478 P C -0.757 176.452 177.300 -0.153 0.000 1.165 478 P CA 0.530 63.530 63.100 -0.166 0.000 0.759 478 P CB 0.433 32.130 31.700 -0.005 0.000 0.772 479 L N 4.583 125.629 121.223 -0.295 0.000 2.381 479 L HA 0.449 4.789 4.340 0.000 0.000 0.274 479 L C -1.178 175.517 176.870 -0.293 0.000 0.988 479 L CA -0.864 53.874 54.840 -0.169 0.000 0.824 479 L CB 1.188 43.175 42.059 -0.120 0.000 1.263 479 L HN 0.338 nan 8.230 nan 0.000 0.410 480 Y N 1.787 122.043 120.300 -0.073 0.000 2.341 480 Y HA 0.587 5.137 4.550 0.000 0.000 0.338 480 Y C 0.393 176.189 175.900 -0.174 0.000 0.965 480 Y CA -0.682 57.359 58.100 -0.099 0.000 1.108 480 Y CB 2.231 40.615 38.460 -0.127 0.000 1.180 480 Y HN 0.492 nan 8.280 nan 0.000 0.458 481 T N 0.771 115.333 114.554 0.012 0.000 2.909 481 T HA 0.650 5.000 4.350 0.000 0.000 0.299 481 T C -1.536 173.116 174.700 -0.080 0.000 1.073 481 T CA -0.840 61.217 62.100 -0.072 0.000 0.999 481 T CB 1.911 70.796 68.868 0.029 0.000 1.098 481 T HN 0.372 nan 8.240 nan 0.000 0.477 482 L N 2.195 123.276 121.223 -0.237 0.000 2.307 482 L HA 0.680 5.020 4.340 0.000 0.000 0.284 482 L C -1.062 175.576 176.870 -0.387 0.000 1.023 482 L CA -0.138 54.592 54.840 -0.183 0.000 0.810 482 L CB 0.859 42.829 42.059 -0.148 0.000 1.231 482 L HN 0.847 nan 8.230 nan 0.000 0.423 483 H N 0.944 119.774 119.070 -0.401 0.000 2.797 483 H HA 0.649 5.205 4.556 0.000 0.000 0.372 483 H C -0.763 174.347 175.328 -0.364 0.000 1.168 483 H CA -0.682 55.035 56.048 -0.551 0.000 1.163 483 H CB 1.949 31.043 29.762 -1.113 0.000 1.778 483 H HN 0.497 nan 8.280 nan 0.000 0.551 484 S N 0.232 115.901 115.700 -0.051 0.000 2.475 484 S HA 0.264 4.734 4.470 0.000 0.000 0.298 484 S C 0.571 175.176 174.600 0.010 0.000 1.119 484 S CA -0.541 57.681 58.200 0.036 0.000 1.085 484 S CB 1.165 64.417 63.200 0.087 0.000 1.028 484 S HN 0.607 nan 8.310 nan 0.000 0.489 485 S N 3.041 118.734 115.700 -0.013 0.000 2.387 485 S HA -0.064 4.406 4.470 0.000 0.000 0.226 485 S C 1.994 176.615 174.600 0.036 0.000 1.026 485 S CA 1.172 59.438 58.200 0.111 0.000 0.972 485 S CB -0.446 62.794 63.200 0.067 0.000 0.814 485 S HN 0.668 nan 8.310 nan 0.000 0.477 486 V N 2.358 122.259 119.914 -0.021 0.000 2.250 486 V HA -0.259 3.861 4.120 0.000 0.000 0.250 486 V C 1.043 177.139 176.094 0.004 0.000 1.060 486 V CA 2.117 64.414 62.300 -0.006 0.000 1.030 486 V CB -0.767 31.047 31.823 -0.015 0.000 0.643 486 V HN 0.525 nan 8.190 nan 0.000 0.445 487 N N -1.600 117.105 118.700 0.009 0.000 2.241 487 N HA 0.152 4.892 4.740 0.000 0.000 0.238 487 N C -0.589 174.934 175.510 0.022 0.000 1.244 487 N CA 0.047 53.103 53.050 0.011 0.000 0.880 487 N CB 0.670 39.164 38.487 0.012 0.000 1.179 487 N HN 0.303 nan 8.380 nan 0.000 0.513 488 D N 1.066 121.498 120.400 0.054 0.000 2.723 488 D HA -0.173 4.467 4.640 0.000 0.000 0.236 488 D C -0.396 175.955 176.300 0.085 0.000 1.138 488 D CA 1.009 55.073 54.000 0.106 0.000 0.676 488 D CB -0.513 40.337 40.800 0.083 0.000 1.069 488 D HN 0.382 nan 8.370 nan 0.000 0.430 489 K N 0.520 120.946 120.400 0.045 0.000 2.322 489 K HA 0.320 4.640 4.320 0.000 0.000 0.283 489 K C 0.965 177.541 176.600 -0.040 0.000 1.042 489 K CA -0.040 56.253 56.287 0.010 0.000 0.958 489 K CB 0.938 33.432 32.500 -0.010 0.000 0.984 489 K HN 0.143 nan 8.250 nan 0.000 0.473 490 G N 3.432 112.176 108.800 -0.094 0.000 2.343 490 G HA2 0.079 4.039 3.960 0.000 0.000 0.254 490 G HA3 0.079 4.039 3.960 0.000 0.000 0.254 490 G C 0.800 175.524 174.900 -0.294 0.000 1.277 490 G CA -0.247 44.617 45.100 -0.394 0.000 0.909 490 G HN 0.630 nan 8.290 nan 0.000 0.502 491 L N 1.514 122.520 121.223 -0.361 0.000 2.221 491 L HA 0.384 4.724 4.340 0.000 0.000 0.202 491 L C 1.411 178.175 176.870 -0.176 0.000 1.074 491 L CA 0.469 55.188 54.840 -0.201 0.000 0.795 491 L CB 0.175 42.139 42.059 -0.158 0.000 0.960 491 L HN 0.540 nan 8.230 nan 0.000 0.458 492 R N -1.051 119.311 120.500 -0.229 0.000 2.736 492 R HA 0.331 4.671 4.340 0.000 0.000 0.250 492 R C -1.731 174.437 176.300 -0.221 0.000 1.098 492 R CA -0.436 55.554 56.100 -0.183 0.000 0.978 492 R CB 1.672 31.876 30.300 -0.160 0.000 1.263 492 R HN -0.271 nan 8.270 nan 0.000 0.460 493 V N 5.811 125.618 119.914 -0.178 0.000 2.546 493 V HA 0.260 4.380 4.120 0.000 0.000 0.284 493 V C 0.916 176.864 176.094 -0.243 0.000 1.050 493 V CA -0.114 62.081 62.300 -0.175 0.000 0.981 493 V CB 1.577 33.333 31.823 -0.112 0.000 0.990 493 V HN 0.731 nan 8.190 nan 0.000 0.474 494 L N 2.163 123.185 121.223 -0.336 0.000 2.445 494 L HA 0.407 4.747 4.340 0.000 0.000 0.207 494 L C 0.453 177.051 176.870 -0.453 0.000 1.053 494 L CA 0.405 54.854 54.840 -0.651 0.000 0.841 494 L CB 0.384 41.679 42.059 -1.273 0.000 1.074 494 L HN 0.651 nan 8.230 nan 0.000 0.479 495 E N 0.070 120.150 120.200 -0.200 0.000 2.307 495 E HA 0.128 4.478 4.350 0.000 0.000 0.280 495 E C -1.235 175.417 176.600 0.087 0.000 0.900 495 E CA -0.333 56.055 56.400 -0.020 0.000 0.790 495 E CB 1.222 30.910 29.700 -0.019 0.000 1.261 495 E HN 0.197 nan 8.360 nan 0.000 0.405 496 D N 2.668 123.093 120.400 0.042 0.000 2.469 496 D HA 0.168 4.808 4.640 0.000 0.000 0.213 496 D C -0.164 176.147 176.300 0.018 0.000 1.135 496 D CA -0.215 53.800 54.000 0.025 0.000 0.834 496 D CB 0.090 40.883 40.800 -0.012 0.000 1.009 496 D HN 0.419 nan 8.370 nan 0.000 0.507 497 N N 0.199 118.924 118.700 0.041 0.000 2.747 497 N HA -0.218 4.522 4.740 0.000 0.000 0.249 497 N C 1.003 176.518 175.510 0.008 0.000 1.107 497 N CA 0.920 53.989 53.050 0.032 0.000 0.707 497 N CB -1.392 37.108 38.487 0.021 0.000 1.054 497 N HN 0.471 nan 8.380 nan 0.000 0.555 498 S N -0.838 114.867 115.700 0.008 0.000 2.368 498 S HA -0.089 4.381 4.470 0.000 0.000 0.225 498 S C 2.145 176.758 174.600 0.021 0.000 1.030 498 S CA 1.184 59.387 58.200 0.004 0.000 0.999 498 S CB -0.300 62.903 63.200 0.004 0.000 0.844 498 S HN 0.514 nan 8.310 nan 0.000 0.459 499 A N 2.368 125.209 122.820 0.035 0.000 1.873 499 A HA -0.014 4.306 4.320 0.000 0.000 0.218 499 A C 2.320 179.948 177.584 0.073 0.000 1.193 499 A CA 1.667 53.735 52.037 0.052 0.000 0.629 499 A CB -1.062 17.971 19.000 0.056 0.000 0.826 499 A HN 0.531 nan 8.150 nan 0.000 0.447 500 L N -0.645 120.625 121.223 0.078 0.000 2.046 500 L HA -0.209 4.131 4.340 0.000 0.000 0.208 500 L C 2.301 179.210 176.870 0.065 0.000 1.077 500 L CA 2.483 57.387 54.840 0.107 0.000 0.747 500 L CB -0.593 41.525 42.059 0.098 0.000 0.896 500 L HN 0.466 nan 8.230 nan 0.000 0.432 501 D N -0.023 120.384 120.400 0.013 0.000 2.117 501 D HA -0.201 4.439 4.640 0.000 0.000 0.197 501 D C 2.107 178.413 176.300 0.010 0.000 0.987 501 D CA 1.294 55.284 54.000 -0.016 0.000 0.829 501 D CB 0.181 40.958 40.800 -0.038 0.000 0.961 501 D HN 0.208 nan 8.370 nan 0.000 0.460 502 K N -0.339 120.079 120.400 0.031 0.000 1.977 502 K HA -0.191 4.129 4.320 0.000 0.000 0.218 502 K C 2.396 179.034 176.600 0.063 0.000 1.051 502 K CA 1.614 57.927 56.287 0.043 0.000 0.953 502 K CB -0.330 32.200 32.500 0.050 0.000 0.727 502 K HN 0.223 nan 8.250 nan 0.000 0.445 503 M N 0.839 120.504 119.600 0.108 0.000 2.089 503 M HA -0.232 4.248 4.480 0.000 0.000 0.257 503 M C 2.151 178.508 176.300 0.096 0.000 1.071 503 M CA 1.687 57.094 55.300 0.178 0.000 1.096 503 M CB -0.499 32.306 32.600 0.341 0.000 1.330 503 M HN 0.160 nan 8.290 nan 0.000 0.403 504 L N -0.569 120.659 121.223 0.008 0.000 2.465 504 L HA -0.157 4.183 4.340 0.000 0.000 0.224 504 L C 2.252 179.093 176.870 -0.047 0.000 1.145 504 L CA 0.672 55.452 54.840 -0.101 0.000 0.834 504 L CB -0.486 41.523 42.059 -0.084 0.000 0.944 504 L HN 0.416 nan 8.230 nan 0.000 0.451 505 Q N -0.267 119.530 119.800 -0.006 0.000 2.311 505 Q HA -0.055 4.285 4.340 0.000 0.000 0.203 505 Q C 1.158 177.170 176.000 0.019 0.000 0.954 505 Q CA 0.591 56.396 55.803 0.004 0.000 0.885 505 Q CB 0.195 28.940 28.738 0.011 0.000 0.963 505 Q HN 0.472 nan 8.270 nan 0.000 0.471 506 N N 0.184 118.905 118.700 0.035 0.000 2.370 506 N HA 0.012 4.752 4.740 0.000 0.000 0.198 506 N C -0.268 175.276 175.510 0.057 0.000 1.156 506 N CA 0.209 53.293 53.050 0.057 0.000 0.839 506 N CB 0.961 39.501 38.487 0.087 0.000 0.989 506 N HN 0.050 nan 8.380 nan 0.000 0.468 507 V N -0.298 119.627 119.914 0.018 0.000 2.789 507 V HA 0.278 4.398 4.120 0.000 0.000 0.311 507 V C -0.806 175.295 176.094 0.011 0.000 1.073 507 V CA -0.882 61.430 62.300 0.020 0.000 0.921 507 V CB 2.314 34.122 31.823 -0.025 0.000 1.009 507 V HN -0.041 nan 8.190 nan 0.000 0.426 508 Q N 5.823 125.646 119.800 0.039 0.000 2.815 508 Q HA 0.287 4.627 4.340 0.000 0.000 0.235 508 Q C -0.358 175.627 176.000 -0.024 0.000 1.354 508 Q CA -0.192 55.615 55.803 0.008 0.000 0.953 508 Q CB 0.303 29.076 28.738 0.058 0.000 1.613 508 Q HN 0.628 nan 8.270 nan 0.000 0.572 509 M N 3.582 123.148 119.600 -0.057 0.000 2.228 509 M HA 0.216 4.696 4.480 0.000 0.000 0.351 509 M C -1.898 174.337 176.300 -0.109 0.000 1.233 509 M CA -2.302 52.950 55.300 -0.081 0.000 1.129 509 M CB -0.241 32.318 32.600 -0.068 0.000 1.604 509 M HN 0.261 nan 8.290 nan 0.000 0.457 510 P HA 0.205 nan 4.420 nan 0.000 0.274 510 P C -0.660 176.556 177.300 -0.140 0.000 1.256 510 P CA -0.337 62.674 63.100 -0.149 0.000 0.795 510 P CB 0.516 32.112 31.700 -0.174 0.000 1.038 511 S N -0.597 115.008 115.700 -0.158 0.000 2.689 511 S HA 0.630 5.100 4.470 0.000 0.000 0.306 511 S C -0.597 173.908 174.600 -0.159 0.000 1.104 511 S CA -0.799 57.320 58.200 -0.135 0.000 0.973 511 S CB 1.804 64.925 63.200 -0.130 0.000 1.121 511 S HN 0.503 nan 8.310 nan 0.000 0.523 512 K N 0.591 120.922 120.400 -0.116 0.000 2.426 512 K HA 0.409 4.729 4.320 0.000 0.000 0.254 512 K C -1.250 175.297 176.600 -0.088 0.000 0.936 512 K CA -0.518 55.706 56.287 -0.105 0.000 0.801 512 K CB 1.357 33.816 32.500 -0.068 0.000 1.139 512 K HN 0.693 nan 8.250 nan 0.000 0.424 513 K N 5.376 125.714 120.400 -0.103 0.000 2.185 513 K HA 0.330 4.650 4.320 0.000 0.000 0.269 513 K C -1.357 175.216 176.600 -0.045 0.000 0.987 513 K CA -0.745 55.498 56.287 -0.074 0.000 0.865 513 K CB 0.962 33.405 32.500 -0.096 0.000 1.090 513 K HN 0.534 nan 8.250 nan 0.000 0.450 514 L N 4.772 125.978 121.223 -0.028 0.000 2.349 514 L HA 0.493 4.833 4.340 0.000 0.000 0.278 514 L C -1.293 175.587 176.870 0.017 0.000 0.996 514 L CA -0.083 54.766 54.840 0.015 0.000 0.825 514 L CB 1.341 43.464 42.059 0.106 0.000 1.243 514 L HN 0.919 nan 8.230 nan 0.000 0.412 515 D N 3.079 123.353 120.400 -0.208 0.000 2.851 515 D HA 0.432 5.072 4.640 0.000 0.000 0.339 515 D C -1.669 174.267 176.300 -0.606 0.000 1.347 515 D CA -0.093 53.665 54.000 -0.402 0.000 0.888 515 D CB 2.584 43.068 40.800 -0.526 0.000 1.431 515 D HN 0.295 nan 8.370 nan 0.000 0.509 516 F N 0.135 119.668 119.950 -0.695 0.000 2.620 516 F HA 0.740 5.267 4.527 0.000 0.000 0.320 516 F C -0.572 175.247 175.800 0.031 0.000 1.069 516 F CA -0.918 56.756 58.000 -0.542 0.000 0.953 516 F CB 0.923 39.130 39.000 -1.321 0.000 1.322 516 F HN 0.252 nan 8.300 nan 0.000 0.479 517 I N -0.200 120.620 120.570 0.417 0.000 3.108 517 I HA 0.647 4.817 4.170 0.000 0.000 0.312 517 I C -1.252 175.091 176.117 0.376 0.000 1.095 517 I CA -1.308 60.196 61.300 0.339 0.000 1.000 517 I CB 2.346 40.529 38.000 0.304 0.000 1.229 517 I HN 0.459 nan 8.210 nan 0.000 0.454 518 I N 3.397 124.127 120.570 0.266 0.000 2.377 518 I HA 0.486 4.656 4.170 0.000 0.000 0.293 518 I C -0.904 175.352 176.117 0.232 0.000 0.987 518 I CA -0.534 60.902 61.300 0.227 0.000 1.185 518 I CB 1.547 39.639 38.000 0.153 0.000 1.341 518 I HN 0.386 nan 8.210 nan 0.000 0.455 519 L N 6.240 127.643 121.223 0.301 0.000 2.439 519 L HA 0.413 4.753 4.340 0.000 0.000 0.270 519 L C -0.178 176.834 176.870 0.237 0.000 0.972 519 L CA -0.388 54.622 54.840 0.283 0.000 0.836 519 L CB 1.150 43.459 42.059 0.415 0.000 1.255 519 L HN 0.468 nan 8.230 nan 0.000 0.404 520 N N 3.166 121.946 118.700 0.132 0.000 2.699 520 N HA -0.250 4.490 4.740 0.000 0.000 0.256 520 N C -0.037 175.518 175.510 0.075 0.000 0.993 520 N CA 1.297 54.401 53.050 0.089 0.000 0.759 520 N CB -0.917 37.617 38.487 0.078 0.000 0.906 520 N HN 0.828 nan 8.380 nan 0.000 0.541 521 E N -3.794 116.445 120.200 0.064 0.000 2.868 521 E HA -0.232 4.118 4.350 0.000 0.000 0.278 521 E C -0.760 175.839 176.600 -0.001 0.000 1.009 521 E CA 1.222 57.642 56.400 0.032 0.000 0.856 521 E CB -1.818 27.892 29.700 0.017 0.000 1.428 521 E HN 0.542 nan 8.360 nan 0.000 0.423 522 T N 0.460 115.012 114.554 -0.003 0.000 2.893 522 T HA 0.344 4.694 4.350 0.000 0.000 0.293 522 T C -0.287 174.263 174.700 -0.252 0.000 1.027 522 T CA -0.947 61.048 62.100 -0.175 0.000 0.988 522 T CB 1.805 70.498 68.868 -0.292 0.000 1.043 522 T HN -0.006 nan 8.240 nan 0.000 0.461 523 K N 2.226 122.419 120.400 -0.345 0.000 2.316 523 K HA 0.408 4.728 4.320 0.000 0.000 0.289 523 K C -1.132 175.234 176.600 -0.389 0.000 1.070 523 K CA -0.118 55.996 56.287 -0.289 0.000 0.928 523 K CB 0.314 32.541 32.500 -0.455 0.000 1.039 523 K HN 0.393 nan 8.250 nan 0.000 0.480 524 F N 2.174 122.233 119.950 0.182 0.000 2.493 524 F HA 0.319 4.846 4.527 0.000 0.000 0.329 524 F C -0.283 175.687 175.800 0.283 0.000 1.126 524 F CA -0.900 57.236 58.000 0.227 0.000 0.937 524 F CB 0.863 40.028 39.000 0.274 0.000 1.146 524 F HN 0.425 nan 8.300 nan 0.000 0.442 525 W N 3.607 125.094 121.300 0.311 0.000 2.303 525 W HA 0.519 5.179 4.660 -0.000 0.000 0.334 525 W C -0.559 176.177 176.519 0.361 0.000 1.197 525 W CA -0.625 56.902 57.345 0.303 0.000 1.262 525 W CB 0.460 30.027 29.460 0.178 0.000 1.153 525 W HN 0.466 nan 8.180 nan 0.000 0.596 526 Y N -0.566 120.087 120.300 0.588 0.000 2.597 526 Y HA 0.623 5.173 4.550 0.000 0.000 0.340 526 Y C -0.901 175.222 175.900 0.370 0.000 1.097 526 Y CA -1.786 56.641 58.100 0.544 0.000 1.037 526 Y CB 1.079 40.008 38.460 0.780 0.000 1.305 526 Y HN 0.577 nan 8.280 nan 0.000 0.463 527 Q N 2.483 122.543 119.800 0.433 0.000 2.433 527 Q HA 0.784 5.124 4.340 0.000 0.000 0.279 527 Q C -1.693 174.443 176.000 0.227 0.000 1.105 527 Q CA -1.226 54.715 55.803 0.230 0.000 0.815 527 Q CB 3.365 32.188 28.738 0.142 0.000 1.403 527 Q HN 0.867 nan 8.270 nan 0.000 0.435 528 M N 2.092 121.742 119.600 0.083 0.000 2.326 528 M HA 0.454 4.934 4.480 0.000 0.000 0.292 528 M C -1.419 174.812 176.300 -0.116 0.000 1.081 528 M CA -0.619 54.656 55.300 -0.042 0.000 0.919 528 M CB 2.475 35.006 32.600 -0.115 0.000 1.634 528 M HN 0.630 nan 8.290 nan 0.000 0.451 529 I N 4.412 124.906 120.570 -0.127 0.000 2.306 529 I HA 0.332 4.502 4.170 0.000 0.000 0.288 529 I C -0.860 175.108 176.117 -0.247 0.000 1.036 529 I CA -0.154 61.045 61.300 -0.168 0.000 1.221 529 I CB 0.645 38.566 38.000 -0.132 0.000 1.385 529 I HN 0.493 nan 8.210 nan 0.000 0.472 530 L N 8.841 129.865 121.223 -0.332 0.000 2.289 530 L HA 0.499 4.839 4.340 0.000 0.000 0.285 530 L C -2.203 174.473 176.870 -0.324 0.000 1.049 530 L CA -1.920 52.624 54.840 -0.494 0.000 0.804 530 L CB 0.799 42.373 42.059 -0.808 0.000 1.195 530 L HN 0.275 nan 8.230 nan 0.000 0.428 531 P HA 0.041 nan 4.420 nan 0.000 0.268 531 P C -2.438 174.825 177.300 -0.063 0.000 1.208 531 P CA -0.853 62.176 63.100 -0.118 0.000 0.777 531 P CB -0.314 31.369 31.700 -0.030 0.000 0.875 532 P HA -0.050 nan 4.420 nan 0.000 0.268 532 P C -0.422 176.850 177.300 -0.046 0.000 1.208 532 P CA 0.426 63.433 63.100 -0.154 0.000 0.777 532 P CB -0.225 31.353 31.700 -0.204 0.000 0.875 533 H N -2.278 116.831 119.070 0.065 0.000 2.770 533 H HA -0.216 4.340 4.556 0.000 0.000 0.309 533 H C -0.080 175.312 175.328 0.106 0.000 1.206 533 H CA 0.022 56.111 56.048 0.069 0.000 1.147 533 H CB -2.606 27.188 29.762 0.053 0.000 1.422 533 H HN 0.330 nan 8.280 nan 0.000 0.420 534 F N 2.325 122.273 119.950 -0.003 0.000 2.571 534 F HA 0.114 4.641 4.527 0.000 0.000 0.384 534 F C 0.455 176.265 175.800 0.017 0.000 1.058 534 F CA -0.264 57.696 58.000 -0.068 0.000 1.200 534 F CB 0.440 39.278 39.000 -0.270 0.000 1.077 534 F HN 0.283 nan 8.300 nan 0.000 0.558 535 D N 6.853 126.959 120.400 -0.490 0.000 2.381 535 D HA 0.107 4.747 4.640 0.000 0.000 0.235 535 D C 0.460 176.394 176.300 -0.611 0.000 1.068 535 D CA -0.445 53.312 54.000 -0.406 0.000 0.832 535 D CB 1.339 42.064 40.800 -0.125 0.000 1.101 535 D HN 0.746 nan 8.370 nan 0.000 0.515 536 K N 1.067 121.130 120.400 -0.561 0.000 2.504 536 K HA -0.033 4.287 4.320 0.000 0.000 0.195 536 K C 1.120 177.704 176.600 -0.027 0.000 1.036 536 K CA 0.430 56.521 56.287 -0.327 0.000 0.984 536 K CB 0.066 32.478 32.500 -0.148 0.000 0.788 536 K HN 0.181 nan 8.250 nan 0.000 0.488 537 S N 0.661 116.321 115.700 -0.067 0.000 2.470 537 S HA 0.063 4.533 4.470 0.000 0.000 0.222 537 S C 0.538 175.113 174.600 -0.043 0.000 1.024 537 S CA -0.234 57.950 58.200 -0.027 0.000 0.931 537 S CB -0.037 63.139 63.200 -0.040 0.000 0.791 537 S HN 0.166 nan 8.310 nan 0.000 0.513 538 K N 2.170 122.512 120.400 -0.097 0.000 2.326 538 K HA 0.213 4.533 4.320 0.000 0.000 0.275 538 K C -0.337 176.176 176.600 -0.146 0.000 1.018 538 K CA -0.012 56.152 56.287 -0.204 0.000 0.962 538 K CB 0.411 32.663 32.500 -0.414 0.000 0.953 538 K HN 0.079 nan 8.250 nan 0.000 0.475 539 K N 3.282 123.580 120.400 -0.171 0.000 2.258 539 K HA 0.194 4.514 4.320 0.000 0.000 0.284 539 K C -0.682 175.814 176.600 -0.174 0.000 1.051 539 K CA -0.201 56.046 56.287 -0.067 0.000 0.923 539 K CB 0.579 33.037 32.500 -0.070 0.000 1.046 539 K HN 0.402 nan 8.250 nan 0.000 0.474 540 Y N 2.760 123.087 120.300 0.046 0.000 2.446 540 Y HA 0.267 4.817 4.550 0.000 0.000 0.338 540 Y C -1.834 174.003 175.900 -0.105 0.000 1.055 540 Y CA -2.499 55.607 58.100 0.010 0.000 1.101 540 Y CB 1.187 39.724 38.460 0.129 0.000 1.221 540 Y HN 0.463 nan 8.280 nan 0.000 0.460 541 P HA 0.121 nan 4.420 nan 0.000 0.271 541 P C -1.030 176.122 177.300 -0.246 0.000 1.216 541 P CA -0.106 62.706 63.100 -0.481 0.000 0.776 541 P CB 1.305 32.358 31.700 -1.078 0.000 0.881 542 L N 3.827 124.945 121.223 -0.174 0.000 2.313 542 L HA 0.450 4.790 4.340 0.000 0.000 0.283 542 L C -0.648 176.408 176.870 0.310 0.000 1.013 542 L CA -0.905 53.982 54.840 0.079 0.000 0.816 542 L CB 1.103 43.219 42.059 0.096 0.000 1.236 542 L HN 0.263 nan 8.230 nan 0.000 0.419 543 L N 5.877 127.307 121.223 0.344 0.000 2.272 543 L HA 0.379 4.719 4.340 0.000 0.000 0.289 543 L C -0.898 176.209 176.870 0.396 0.000 1.032 543 L CA -0.887 54.206 54.840 0.422 0.000 0.810 543 L CB 1.599 43.850 42.059 0.320 0.000 1.205 543 L HN 0.596 nan 8.230 nan 0.000 0.422 544 L N 5.515 127.018 121.223 0.467 0.000 2.283 544 L HA 0.271 4.611 4.340 0.000 0.000 0.287 544 L C -0.212 176.907 176.870 0.415 0.000 1.073 544 L CA 0.116 55.223 54.840 0.445 0.000 0.822 544 L CB 0.644 43.005 42.059 0.502 0.000 1.186 544 L HN 0.469 nan 8.230 nan 0.000 0.436 545 D N 4.556 125.188 120.400 0.387 0.000 2.339 545 D HA 0.168 4.808 4.640 0.000 0.000 0.241 545 D C -0.925 175.473 176.300 0.164 0.000 1.183 545 D CA 0.054 54.220 54.000 0.275 0.000 0.859 545 D CB 1.246 42.282 40.800 0.394 0.000 1.067 545 D HN 0.341 nan 8.370 nan 0.000 0.484 546 V N 5.688 125.619 119.914 0.029 0.000 2.581 546 V HA 0.375 4.495 4.120 0.000 0.000 0.303 546 V C -0.723 175.450 176.094 0.132 0.000 1.041 546 V CA -0.398 61.969 62.300 0.112 0.000 0.907 546 V CB 1.631 33.514 31.823 0.101 0.000 0.994 546 V HN 0.640 nan 8.190 nan 0.000 0.442 547 Y N 5.406 125.770 120.300 0.107 0.000 3.059 547 Y HA 0.548 5.098 4.550 0.000 0.000 0.212 547 Y C 1.627 177.678 175.900 0.252 0.000 0.947 547 Y CA 1.429 59.622 58.100 0.155 0.000 1.571 547 Y CB 0.115 38.651 38.460 0.126 0.000 1.432 547 Y HN 0.992 nan 8.280 nan 0.000 0.450 548 A N 0.537 123.503 122.820 0.244 0.000 3.172 548 A HA -0.167 4.153 4.320 0.000 0.000 0.263 548 A C 1.111 178.629 177.584 -0.110 0.000 1.215 548 A CA 0.848 52.973 52.037 0.146 0.000 1.065 548 A CB -2.615 16.511 19.000 0.209 0.000 1.148 548 A HN 1.008 nan 8.150 nan 0.000 0.904 549 G N -0.579 107.904 108.800 -0.530 0.000 2.690 549 G HA2 0.393 4.353 3.960 0.000 0.000 0.239 549 G HA3 0.393 4.353 3.960 0.000 0.000 0.239 549 G C -2.062 172.580 174.900 -0.431 0.000 1.233 549 G CA -0.123 44.330 45.100 -1.079 0.000 0.847 549 G HN 0.364 nan 8.290 nan 0.000 0.588 550 P HA 0.112 nan 4.420 nan 0.000 0.267 550 P C 0.596 177.762 177.300 -0.223 0.000 1.209 550 P CA 0.029 62.878 63.100 -0.418 0.000 0.763 550 P CB 0.768 31.863 31.700 -1.010 0.000 0.816 551 C N 2.547 121.780 119.300 -0.111 0.000 4.465 551 C HA -0.155 4.305 4.460 0.000 0.000 0.274 551 C C 0.970 175.954 174.990 -0.011 0.000 1.337 551 C CA 1.164 60.071 59.018 -0.185 0.000 1.822 551 C CB -2.698 24.804 27.740 -0.396 0.000 1.357 551 C HN 0.785 nan 8.230 nan 0.000 0.753 552 S N 0.047 115.825 115.700 0.130 0.000 2.632 552 S HA 0.578 5.048 4.470 0.000 0.000 0.267 552 S C -0.631 174.131 174.600 0.271 0.000 1.276 552 S CA 0.061 58.425 58.200 0.274 0.000 0.998 552 S CB 1.631 65.060 63.200 0.382 0.000 0.953 552 S HN 0.803 nan 8.310 nan 0.000 0.547 553 Q N -0.137 119.854 119.800 0.318 0.000 2.269 553 Q HA 0.377 4.717 4.340 0.000 0.000 0.263 553 Q C -0.710 175.416 176.000 0.209 0.000 0.983 553 Q CA -0.629 55.347 55.803 0.288 0.000 0.777 553 Q CB 1.167 30.131 28.738 0.378 0.000 1.273 553 Q HN 0.709 nan 8.270 nan 0.000 0.440 554 K N 1.046 121.564 120.400 0.198 0.000 2.402 554 K HA 0.329 4.649 4.320 0.000 0.000 0.203 554 K C -0.469 176.236 176.600 0.176 0.000 1.077 554 K CA 0.202 56.596 56.287 0.179 0.000 1.051 554 K CB 1.595 34.225 32.500 0.217 0.000 0.907 554 K HN 0.510 nan 8.250 nan 0.000 0.554 555 A N 2.921 125.853 122.820 0.187 0.000 2.273 555 A HA 0.418 4.738 4.320 0.000 0.000 0.320 555 A C -0.659 176.995 177.584 0.116 0.000 1.358 555 A CA -0.443 51.707 52.037 0.189 0.000 0.910 555 A CB 0.132 19.304 19.000 0.286 0.000 1.159 555 A HN 0.244 nan 8.150 nan 0.000 0.526 556 D N 0.123 120.569 120.400 0.077 0.000 2.812 556 D HA 0.398 5.038 4.640 0.000 0.000 0.318 556 D C 0.372 176.689 176.300 0.027 0.000 1.234 556 D CA 0.349 54.379 54.000 0.050 0.000 0.989 556 D CB 0.231 41.065 40.800 0.057 0.000 1.442 556 D HN 0.204 nan 8.370 nan 0.000 0.537 557 T N -2.499 112.083 114.554 0.046 0.000 3.134 557 T HA 0.312 4.662 4.350 0.000 0.000 0.260 557 T C 0.681 175.348 174.700 -0.055 0.000 1.027 557 T CA -0.021 62.102 62.100 0.038 0.000 0.913 557 T CB -0.695 68.244 68.868 0.118 0.000 1.046 557 T HN 0.538 nan 8.240 nan 0.000 0.553 558 V N 1.051 120.825 119.914 -0.233 0.000 2.732 558 V HA 0.604 4.724 4.120 0.000 0.000 0.297 558 V C -0.233 175.808 176.094 -0.088 0.000 1.060 558 V CA -1.258 60.875 62.300 -0.278 0.000 1.038 558 V CB 0.501 31.977 31.823 -0.577 0.000 1.003 558 V HN 0.399 nan 8.190 nan 0.000 0.481 559 F N 7.206 127.060 119.950 -0.161 0.000 2.445 559 F HA 0.618 5.145 4.527 0.000 0.000 0.359 559 F C 0.508 176.253 175.800 -0.092 0.000 1.101 559 F CA -0.170 57.763 58.000 -0.112 0.000 1.177 559 F CB 0.308 39.251 39.000 -0.095 0.000 1.110 559 F HN 0.609 nan 8.300 nan 0.000 0.522 560 R N 6.559 126.635 120.500 -0.708 0.000 2.686 560 R HA 0.583 4.923 4.340 0.000 0.000 0.286 560 R C -1.598 174.295 176.300 -0.678 0.000 0.969 560 R CA -1.112 54.691 56.100 -0.495 0.000 0.898 560 R CB 2.164 32.315 30.300 -0.250 0.000 1.183 560 R HN 0.643 nan 8.270 nan 0.000 0.456 561 L N 3.736 124.748 121.223 -0.351 0.000 2.318 561 L HA 0.456 4.796 4.340 0.000 0.000 0.277 561 L C -0.153 176.700 176.870 -0.028 0.000 1.008 561 L CA -0.287 54.409 54.840 -0.240 0.000 0.846 561 L CB 0.664 42.721 42.059 -0.002 0.000 1.220 561 L HN 0.851 nan 8.230 nan 0.000 0.423 562 N N -0.173 118.415 118.700 -0.186 0.000 3.449 562 N HA 0.144 4.884 4.740 0.000 0.000 0.312 562 N C 0.065 175.195 175.510 -0.633 0.000 1.582 562 N CA -0.891 51.921 53.050 -0.397 0.000 0.850 562 N CB 0.615 39.025 38.487 -0.129 0.000 1.822 562 N HN 0.309 nan 8.380 nan 0.000 0.577 563 W N 1.038 121.784 121.300 -0.924 0.000 2.333 563 W HA 0.054 4.714 4.660 0.000 0.000 0.316 563 W C 2.499 178.966 176.519 -0.087 0.000 1.215 563 W CA 2.820 59.859 57.345 -0.509 0.000 1.278 563 W CB -0.977 28.359 29.460 -0.206 0.000 1.154 563 W HN 0.725 nan 8.180 nan 0.000 0.486 564 A N -0.408 122.386 122.820 -0.042 0.000 1.948 564 A HA -0.273 4.047 4.320 0.000 0.000 0.220 564 A C 1.933 179.403 177.584 -0.191 0.000 1.177 564 A CA 2.834 54.784 52.037 -0.145 0.000 0.636 564 A CB -1.368 17.628 19.000 -0.007 0.000 0.815 564 A HN 0.343 nan 8.150 nan 0.000 0.449 565 T N -1.349 113.087 114.554 -0.198 0.000 2.684 565 T HA -0.217 4.133 4.350 0.000 0.000 0.267 565 T C 1.803 176.457 174.700 -0.076 0.000 1.036 565 T CA 1.753 63.686 62.100 -0.279 0.000 1.148 565 T CB -0.495 68.007 68.868 -0.609 0.000 0.863 565 T HN 0.706 nan 8.240 nan 0.000 0.436 566 Y N 1.966 122.293 120.300 0.046 0.000 2.200 566 Y HA -0.009 4.541 4.550 0.000 0.000 0.290 566 Y C 1.940 177.826 175.900 -0.024 0.000 1.137 566 Y CA 0.932 59.149 58.100 0.195 0.000 1.163 566 Y CB -0.716 37.861 38.460 0.195 0.000 0.988 566 Y HN 0.116 nan 8.280 nan 0.000 0.518 567 L N 0.200 121.011 121.223 -0.686 0.000 2.083 567 L HA -0.171 4.169 4.340 0.000 0.000 0.209 567 L C 2.802 179.417 176.870 -0.426 0.000 1.083 567 L CA 1.281 55.645 54.840 -0.793 0.000 0.752 567 L CB -0.874 40.764 42.059 -0.701 0.000 0.899 567 L HN 0.402 nan 8.230 nan 0.000 0.433 568 A N -1.317 121.334 122.820 -0.282 0.000 1.898 568 A HA -0.154 4.166 4.320 0.000 0.000 0.214 568 A C 2.505 180.016 177.584 -0.123 0.000 1.183 568 A CA 1.588 53.517 52.037 -0.180 0.000 0.622 568 A CB -0.547 18.346 19.000 -0.180 0.000 0.824 568 A HN 0.324 nan 8.150 nan 0.000 0.444 569 S N -1.015 114.626 115.700 -0.098 0.000 2.355 569 S HA -0.112 4.358 4.470 0.000 0.000 0.222 569 S C 1.993 176.602 174.600 0.015 0.000 1.031 569 S CA 2.275 60.469 58.200 -0.009 0.000 0.993 569 S CB -0.405 62.845 63.200 0.083 0.000 0.859 569 S HN 0.559 nan 8.310 nan 0.000 0.453 570 T N 1.305 115.837 114.554 -0.036 0.000 2.953 570 T HA 0.171 4.521 4.350 0.000 0.000 0.247 570 T C 1.381 176.042 174.700 -0.066 0.000 1.029 570 T CA 0.628 62.721 62.100 -0.012 0.000 1.144 570 T CB -0.144 68.774 68.868 0.082 0.000 0.870 570 T HN 0.314 nan 8.240 nan 0.000 0.446 571 E N 1.479 121.556 120.200 -0.205 0.000 2.479 571 E HA 0.140 4.490 4.350 0.000 0.000 0.193 571 E C 0.083 176.665 176.600 -0.029 0.000 1.049 571 E CA -0.077 56.247 56.400 -0.128 0.000 0.870 571 E CB -0.164 29.398 29.700 -0.231 0.000 0.944 571 E HN 0.351 nan 8.360 nan 0.000 0.492 572 N N 0.821 119.515 118.700 -0.010 0.000 2.727 572 N HA -0.217 4.523 4.740 0.000 0.000 0.249 572 N C -0.453 175.140 175.510 0.138 0.000 1.048 572 N CA 0.722 53.834 53.050 0.104 0.000 0.714 572 N CB -1.687 36.920 38.487 0.200 0.000 0.959 572 N HN 0.304 nan 8.380 nan 0.000 0.544 573 I N 0.825 121.404 120.570 0.015 0.000 2.385 573 I HA 0.306 4.476 4.170 0.000 0.000 0.294 573 I C 1.057 177.154 176.117 -0.033 0.000 0.988 573 I CA -0.706 60.611 61.300 0.029 0.000 1.265 573 I CB 1.179 39.213 38.000 0.057 0.000 1.388 573 I HN -0.047 nan 8.210 nan 0.000 0.480 574 I N 6.405 126.966 120.570 -0.014 0.000 2.396 574 I HA 0.116 4.286 4.170 0.000 0.000 0.289 574 I C -0.409 175.704 176.117 -0.008 0.000 1.056 574 I CA -0.369 60.888 61.300 -0.072 0.000 1.365 574 I CB 0.719 38.684 38.000 -0.058 0.000 1.407 574 I HN 0.205 nan 8.210 nan 0.000 0.509 575 V N 6.916 126.812 119.914 -0.030 0.000 2.318 575 V HA 0.541 4.661 4.120 0.000 0.000 0.271 575 V C 0.519 176.653 176.094 0.067 0.000 1.030 575 V CA -0.499 61.835 62.300 0.056 0.000 0.844 575 V CB 0.799 32.648 31.823 0.044 0.000 1.015 575 V HN 0.815 nan 8.190 nan 0.000 0.460 576 A N 4.087 126.977 122.820 0.116 0.000 2.306 576 A HA 0.921 5.241 4.320 0.000 0.000 0.330 576 A C 0.059 177.821 177.584 0.297 0.000 1.146 576 A CA -0.439 51.673 52.037 0.126 0.000 0.827 576 A CB 1.319 20.262 19.000 -0.095 0.000 1.178 576 A HN 0.702 nan 8.150 nan 0.000 0.490 577 S N -0.182 115.731 115.700 0.356 0.000 2.549 577 S HA 0.756 5.226 4.470 0.000 0.000 0.280 577 S C -1.334 173.613 174.600 0.579 0.000 1.109 577 S CA -0.335 58.114 58.200 0.415 0.000 0.905 577 S CB 1.388 64.771 63.200 0.305 0.000 1.081 577 S HN 0.827 nan 8.310 nan 0.000 0.477 578 F N 1.526 121.710 119.950 0.390 0.000 2.581 578 F HA 0.483 5.010 4.527 0.000 0.000 0.311 578 F C -1.659 174.342 175.800 0.335 0.000 1.113 578 F CA -0.666 57.588 58.000 0.424 0.000 0.935 578 F CB 1.531 40.763 39.000 0.385 0.000 1.232 578 F HN 0.401 nan 8.300 nan 0.000 0.445 579 D N 4.663 124.770 120.400 -0.488 0.000 2.485 579 D HA 0.336 4.976 4.640 0.000 0.000 0.221 579 D C 0.423 176.350 176.300 -0.621 0.000 1.112 579 D CA 0.169 53.979 54.000 -0.317 0.000 0.911 579 D CB 1.332 42.148 40.800 0.027 0.000 1.019 579 D HN 0.780 nan 8.370 nan 0.000 0.516 580 G N 1.188 109.697 108.800 -0.484 0.000 2.574 580 G HA2 0.265 4.225 3.960 0.000 0.000 0.248 580 G HA3 0.265 4.225 3.960 0.000 0.000 0.248 580 G C 0.269 175.111 174.900 -0.096 0.000 1.422 580 G CA -0.661 44.229 45.100 -0.351 0.000 1.051 580 G HN 0.282 nan 8.290 nan 0.000 0.560 581 R N -0.954 119.481 120.500 -0.109 0.000 2.679 581 R HA 0.376 4.716 4.340 0.000 0.000 0.268 581 R C 1.298 177.675 176.300 0.129 0.000 1.044 581 R CA 1.375 57.528 56.100 0.089 0.000 1.105 581 R CB 0.489 30.829 30.300 0.067 0.000 0.989 581 R HN 1.041 nan 8.270 nan 0.000 0.447 582 G N 0.915 109.798 108.800 0.138 0.000 2.217 582 G HA2 -0.332 3.628 3.960 0.000 0.000 0.246 582 G HA3 -0.332 3.628 3.960 0.000 0.000 0.246 582 G C 0.126 175.064 174.900 0.063 0.000 0.990 582 G CA 0.283 45.453 45.100 0.117 0.000 0.627 582 G HN 0.715 nan 8.290 nan 0.000 0.522 583 S N 0.187 115.931 115.700 0.073 0.000 2.600 583 S HA 0.661 5.131 4.470 0.000 0.000 0.265 583 S C 0.816 175.405 174.600 -0.018 0.000 1.325 583 S CA 0.319 58.554 58.200 0.057 0.000 1.002 583 S CB 1.847 65.108 63.200 0.101 0.000 0.921 583 S HN 1.633 nan 8.310 nan 0.000 0.554 584 G N -0.939 107.798 108.800 -0.105 0.000 2.521 584 G HA2 0.512 4.472 3.960 0.000 0.000 0.323 584 G HA3 0.512 4.472 3.960 0.000 0.000 0.323 584 G C -0.944 173.787 174.900 -0.282 0.000 1.211 584 G CA -0.987 43.856 45.100 -0.428 0.000 0.979 584 G HN 0.965 nan 8.290 nan 0.000 0.490 585 Y N -2.561 117.748 120.300 0.016 0.000 4.929 585 Y HA -0.207 4.343 4.550 0.000 0.000 0.252 585 Y C 1.300 177.221 175.900 0.036 0.000 0.950 585 Y CA 0.903 59.019 58.100 0.028 0.000 1.935 585 Y CB -2.129 36.361 38.460 0.049 0.000 1.440 585 Y HN 0.550 nan 8.280 nan 0.000 0.567 586 Q N 0.355 120.197 119.800 0.070 0.000 2.129 586 Q HA 0.529 4.869 4.340 0.000 0.000 0.274 586 Q C 0.914 176.838 176.000 -0.128 0.000 0.854 586 Q CA 0.194 56.052 55.803 0.092 0.000 1.123 586 Q CB 1.457 30.250 28.738 0.092 0.000 1.226 586 Q HN 0.579 nan 8.270 nan 0.000 0.454 587 G N 0.739 109.325 108.800 -0.358 0.000 2.746 587 G HA2 -0.209 3.751 3.960 0.000 0.000 0.685 587 G HA3 -0.209 3.751 3.960 0.000 0.000 0.685 587 G C -0.390 174.149 174.900 -0.601 0.000 1.350 587 G CA -0.446 44.132 45.100 -0.871 0.000 0.837 587 G HN 0.197 nan 8.290 nan 0.000 0.564 588 D N -0.107 119.904 120.400 -0.649 0.000 2.194 588 D HA -0.026 4.614 4.640 0.000 0.000 0.204 588 D C 2.233 178.264 176.300 -0.449 0.000 0.964 588 D CA 1.104 54.692 54.000 -0.686 0.000 0.846 588 D CB -0.025 40.333 40.800 -0.738 0.000 0.962 588 D HN 0.543 nan 8.370 nan 0.000 0.490 589 K N 0.591 120.790 120.400 -0.336 0.000 2.113 589 K HA -0.143 4.177 4.320 0.000 0.000 0.208 589 K C 2.030 178.566 176.600 -0.105 0.000 1.047 589 K CA 0.919 57.097 56.287 -0.181 0.000 0.928 589 K CB -0.063 32.343 32.500 -0.157 0.000 0.716 589 K HN 0.138 nan 8.250 nan 0.000 0.446 590 I N 0.213 120.715 120.570 -0.115 0.000 2.277 590 I HA -0.225 3.945 4.170 0.000 0.000 0.243 590 I C 2.640 178.760 176.117 0.005 0.000 1.094 590 I CA 0.784 62.092 61.300 0.012 0.000 1.393 590 I CB -0.117 37.920 38.000 0.063 0.000 1.078 590 I HN 0.240 nan 8.210 nan 0.000 0.417 591 M N 0.057 119.585 119.600 -0.119 0.000 2.132 591 M HA -0.221 4.259 4.480 0.000 0.000 0.263 591 M C 1.882 178.229 176.300 0.079 0.000 1.065 591 M CA 2.014 57.265 55.300 -0.082 0.000 1.122 591 M CB -0.259 32.181 32.600 -0.267 0.000 1.365 591 M HN 0.273 nan 8.290 nan 0.000 0.411 592 H N -0.914 118.077 119.070 -0.132 0.000 2.539 592 H HA 0.215 4.771 4.556 0.000 0.000 0.267 592 H C 1.806 177.157 175.328 0.038 0.000 0.982 592 H CA 0.127 56.094 56.048 -0.134 0.000 1.146 592 H CB 0.210 29.775 29.762 -0.328 0.000 1.382 592 H HN 0.512 nan 8.280 nan 0.000 0.577 593 A N 0.902 123.826 122.820 0.174 0.000 2.076 593 A HA -0.144 4.176 4.320 0.000 0.000 0.220 593 A C 1.852 179.650 177.584 0.357 0.000 1.160 593 A CA 1.187 53.337 52.037 0.188 0.000 0.653 593 A CB -0.256 18.796 19.000 0.085 0.000 0.801 593 A HN 0.289 nan 8.150 nan 0.000 0.455 594 I N -0.323 120.441 120.570 0.323 0.000 3.793 594 I HA 0.082 4.252 4.170 0.000 0.000 0.315 594 I C 0.539 176.779 176.117 0.206 0.000 1.275 594 I CA -0.384 61.081 61.300 0.275 0.000 1.214 594 I CB -0.601 37.529 38.000 0.217 0.000 1.018 594 I HN 0.254 nan 8.210 nan 0.000 0.439 595 N N 1.617 120.469 118.700 0.252 0.000 2.454 595 N HA -0.033 4.707 4.740 0.000 0.000 0.260 595 N C 0.512 176.065 175.510 0.071 0.000 1.218 595 N CA 0.511 53.693 53.050 0.220 0.000 0.904 595 N CB 0.141 38.718 38.487 0.150 0.000 1.065 595 N HN 0.123 nan 8.380 nan 0.000 0.462 596 R N 0.736 121.257 120.500 0.034 0.000 4.000 596 R HA -0.240 4.101 4.340 0.000 0.000 0.362 596 R C -0.486 175.723 176.300 -0.152 0.000 1.183 596 R CA 1.072 57.150 56.100 -0.037 0.000 1.011 596 R CB -1.399 28.893 30.300 -0.014 0.000 1.501 596 R HN 0.659 nan 8.270 nan 0.000 0.553 597 R N 0.420 120.820 120.500 -0.167 0.000 2.593 597 R HA 0.284 4.624 4.340 0.000 0.000 0.258 597 R C -0.530 175.742 176.300 -0.046 0.000 1.410 597 R CA -0.366 55.505 56.100 -0.383 0.000 1.537 597 R CB 0.724 30.762 30.300 -0.436 0.000 1.362 597 R HN -0.014 nan 8.270 nan 0.000 0.734 598 L N 0.017 121.297 121.223 0.096 0.000 2.452 598 L HA 0.336 4.676 4.340 0.000 0.000 0.267 598 L C 1.336 178.464 176.870 0.429 0.000 1.188 598 L CA 0.525 55.467 54.840 0.171 0.000 0.821 598 L CB 0.704 42.661 42.059 -0.170 0.000 1.102 598 L HN 0.701 nan 8.230 nan 0.000 0.470 599 G N 1.018 110.102 108.800 0.473 0.000 2.182 599 G HA2 -0.235 3.725 3.960 0.000 0.000 0.248 599 G HA3 -0.235 3.725 3.960 0.000 0.000 0.248 599 G C 0.181 175.164 174.900 0.139 0.000 1.042 599 G CA 0.421 45.723 45.100 0.336 0.000 0.775 599 G HN 0.744 nan 8.290 nan 0.000 0.501 600 T N -1.866 112.740 114.554 0.087 0.000 2.639 600 T HA 0.478 4.828 4.350 0.000 0.000 0.156 600 T C 1.619 176.283 174.700 -0.059 0.000 0.817 600 T CA 0.762 62.806 62.100 -0.094 0.000 0.914 600 T CB -0.070 68.604 68.868 -0.324 0.000 2.461 600 T HN 0.055 nan 8.240 nan 0.000 0.367 601 F N 3.008 123.001 119.950 0.071 0.000 2.216 601 F HA 0.057 4.584 4.527 0.000 0.000 0.300 601 F C 2.575 178.407 175.800 0.054 0.000 1.085 601 F CA 1.155 59.184 58.000 0.049 0.000 1.326 601 F CB -0.449 38.577 39.000 0.044 0.000 1.027 601 F HN 0.435 nan 8.300 nan 0.000 0.497 602 E N 0.558 120.911 120.200 0.254 0.000 2.274 602 E HA -0.100 4.250 4.350 0.000 0.000 0.194 602 E C 1.988 178.688 176.600 0.166 0.000 0.996 602 E CA 1.240 57.764 56.400 0.206 0.000 0.840 602 E CB -0.862 28.971 29.700 0.222 0.000 0.772 602 E HN 0.312 nan 8.360 nan 0.000 0.491 603 V N 1.558 121.543 119.914 0.117 0.000 2.446 603 V HA -0.147 3.973 4.120 0.000 0.000 0.244 603 V C 2.250 178.375 176.094 0.052 0.000 1.039 603 V CA 1.757 64.083 62.300 0.043 0.000 1.045 603 V CB -0.431 31.371 31.823 -0.035 0.000 0.681 603 V HN 0.188 nan 8.190 nan 0.000 0.459 604 E N 0.353 120.600 120.200 0.079 0.000 2.077 604 E HA -0.227 4.123 4.350 0.000 0.000 0.193 604 E C 1.859 178.482 176.600 0.038 0.000 0.989 604 E CA 1.518 57.960 56.400 0.069 0.000 0.800 604 E CB -0.190 29.582 29.700 0.120 0.000 0.746 604 E HN 0.564 nan 8.360 nan 0.000 0.452 605 D N 0.468 120.908 120.400 0.068 0.000 2.219 605 D HA -0.125 4.515 4.640 0.000 0.000 0.205 605 D C 1.962 178.247 176.300 -0.025 0.000 0.970 605 D CA 0.743 54.762 54.000 0.031 0.000 0.851 605 D CB -0.086 40.782 40.800 0.115 0.000 0.943 605 D HN 0.114 nan 8.370 nan 0.000 0.488 606 Q N 0.122 119.973 119.800 0.085 0.000 2.123 606 Q HA 0.004 4.344 4.340 0.000 0.000 0.199 606 Q C 2.567 178.586 176.000 0.031 0.000 0.966 606 Q CA 0.406 56.259 55.803 0.084 0.000 0.845 606 Q CB -0.035 28.796 28.738 0.155 0.000 0.907 606 Q HN 0.413 nan 8.270 nan 0.000 0.439 607 I N 0.946 121.555 120.570 0.065 0.000 2.163 607 I HA -0.281 3.889 4.170 0.000 0.000 0.243 607 I C 2.427 178.480 176.117 -0.107 0.000 1.085 607 I CA 1.412 62.771 61.300 0.098 0.000 1.347 607 I CB -0.230 37.822 38.000 0.086 0.000 1.044 607 I HN 0.164 nan 8.210 nan 0.000 0.408 608 E N 1.459 121.550 120.200 -0.181 0.000 2.106 608 E HA -0.168 4.182 4.350 0.000 0.000 0.192 608 E C 2.044 178.351 176.600 -0.487 0.000 0.984 608 E CA 1.542 57.781 56.400 -0.268 0.000 0.806 608 E CB -0.161 29.416 29.700 -0.205 0.000 0.750 608 E HN 0.410 nan 8.360 nan 0.000 0.458 609 A N 0.744 123.111 122.820 -0.754 0.000 1.933 609 A HA -0.024 4.296 4.320 0.000 0.000 0.218 609 A C 2.431 179.245 177.584 -1.284 0.000 1.175 609 A CA 2.007 53.281 52.037 -1.271 0.000 0.628 609 A CB -0.937 16.997 19.000 -1.777 0.000 0.814 609 A HN 0.382 nan 8.150 nan 0.000 0.444 610 A N -0.117 122.306 122.820 -0.660 0.000 1.930 610 A HA -0.115 4.205 4.320 0.000 0.000 0.217 610 A C 2.213 179.581 177.584 -0.359 0.000 1.175 610 A CA 1.301 53.109 52.037 -0.383 0.000 0.627 610 A CB -0.418 18.457 19.000 -0.208 0.000 0.815 610 A HN 0.566 nan 8.150 nan 0.000 0.443 611 R N -0.598 119.689 120.500 -0.356 0.000 2.081 611 R HA -0.125 4.215 4.340 0.000 0.000 0.235 611 R C 2.369 178.513 176.300 -0.260 0.000 1.131 611 R CA 1.348 57.286 56.100 -0.269 0.000 0.960 611 R CB -0.362 29.805 30.300 -0.220 0.000 0.856 611 R HN 0.552 nan 8.270 nan 0.000 0.436 612 Q N 0.279 119.862 119.800 -0.362 0.000 2.002 612 Q HA -0.159 4.181 4.340 0.000 0.000 0.204 612 Q C 2.131 178.008 176.000 -0.205 0.000 0.988 612 Q CA 1.581 57.192 55.803 -0.320 0.000 0.843 612 Q CB -0.364 28.095 28.738 -0.466 0.000 0.908 612 Q HN 0.278 nan 8.270 nan 0.000 0.420 613 F N 1.185 120.973 119.950 -0.271 0.000 2.154 613 F HA -0.165 4.362 4.527 0.000 0.000 0.301 613 F C 2.672 178.290 175.800 -0.304 0.000 1.087 613 F CA 0.780 58.603 58.000 -0.296 0.000 1.274 613 F CB -1.211 37.645 39.000 -0.239 0.000 1.009 613 F HN -0.023 nan 8.300 nan 0.000 0.485 614 S N -0.089 115.562 115.700 -0.083 0.000 2.353 614 S HA -0.211 4.259 4.470 0.000 0.000 0.222 614 S C 1.840 176.349 174.600 -0.153 0.000 1.035 614 S CA 1.386 59.506 58.200 -0.134 0.000 1.025 614 S CB -0.313 62.799 63.200 -0.147 0.000 0.902 614 S HN 0.382 nan 8.310 nan 0.000 0.440 615 K N 0.307 120.624 120.400 -0.140 0.000 2.574 615 K HA 0.088 4.408 4.320 0.000 0.000 0.193 615 K C 0.196 176.715 176.600 -0.136 0.000 1.035 615 K CA 0.340 56.554 56.287 -0.120 0.000 0.982 615 K CB -0.165 32.276 32.500 -0.098 0.000 0.795 615 K HN 0.408 nan 8.250 nan 0.000 0.491 616 M N -0.417 119.053 119.600 -0.217 0.000 2.250 616 M HA 0.099 4.579 4.480 0.000 0.000 0.344 616 M C 1.402 177.457 176.300 -0.409 0.000 1.150 616 M CA -0.148 54.951 55.300 -0.335 0.000 1.147 616 M CB 1.226 33.483 32.600 -0.571 0.000 1.498 616 M HN 0.070 nan 8.290 nan 0.000 0.461 617 G N 1.250 109.910 108.800 -0.233 0.000 2.848 617 G HA2 0.004 3.964 3.960 0.000 0.000 0.208 617 G HA3 0.004 3.964 3.960 0.000 0.000 0.208 617 G C 0.572 175.477 174.900 0.008 0.000 1.152 617 G CA 0.151 45.212 45.100 -0.066 0.000 0.789 617 G HN 0.780 nan 8.290 nan 0.000 0.531 618 F N -0.130 119.881 119.950 0.102 0.000 2.661 618 F HA 0.484 5.011 4.527 0.000 0.000 0.306 618 F C 0.184 176.114 175.800 0.216 0.000 1.094 618 F CA -1.463 56.644 58.000 0.178 0.000 1.254 618 F CB -0.238 38.939 39.000 0.296 0.000 1.040 618 F HN -0.017 nan 8.300 nan 0.000 0.562 619 V N -0.456 119.413 119.914 -0.076 0.000 2.435 619 V HA 0.446 4.566 4.120 0.000 0.000 0.290 619 V C -0.534 175.533 176.094 -0.045 0.000 1.030 619 V CA -0.710 61.585 62.300 -0.009 0.000 0.881 619 V CB 1.533 33.307 31.823 -0.082 0.000 0.983 619 V HN 0.132 nan 8.190 nan 0.000 0.445 620 D N 4.621 124.996 120.400 -0.042 0.000 2.348 620 D HA 0.073 4.713 4.640 0.000 0.000 0.259 620 D C 1.413 177.657 176.300 -0.093 0.000 1.296 620 D CA 0.381 54.332 54.000 -0.082 0.000 0.931 620 D CB 0.464 41.196 40.800 -0.114 0.000 1.067 620 D HN 0.864 nan 8.370 nan 0.000 0.503 621 N N 2.779 121.428 118.700 -0.085 0.000 2.609 621 N HA -0.124 4.616 4.740 0.000 0.000 0.190 621 N C 0.639 176.104 175.510 -0.075 0.000 1.157 621 N CA 0.223 53.219 53.050 -0.091 0.000 0.918 621 N CB 0.227 38.655 38.487 -0.097 0.000 0.978 621 N HN 0.301 nan 8.380 nan 0.000 0.448 622 K N 0.247 120.611 120.400 -0.059 0.000 2.379 622 K HA 0.169 4.489 4.320 0.000 0.000 0.194 622 K C 0.336 176.939 176.600 0.004 0.000 1.031 622 K CA 0.149 56.420 56.287 -0.027 0.000 1.037 622 K CB 0.486 32.973 32.500 -0.023 0.000 0.824 622 K HN 0.111 nan 8.250 nan 0.000 0.516 623 R N 1.358 121.826 120.500 -0.053 0.000 2.748 623 R HA 0.340 4.680 4.340 0.000 0.000 0.283 623 R C -0.966 175.279 176.300 -0.091 0.000 1.507 623 R CA -0.139 55.914 56.100 -0.079 0.000 1.666 623 R CB 0.552 30.616 30.300 -0.392 0.000 1.237 623 R HN -0.006 nan 8.270 nan 0.000 0.633 624 I N 1.416 122.075 120.570 0.148 0.000 2.330 624 I HA 0.434 4.604 4.170 0.000 0.000 0.289 624 I C 0.264 176.694 176.117 0.521 0.000 1.001 624 I CA -0.579 60.867 61.300 0.244 0.000 1.193 624 I CB 1.688 39.680 38.000 -0.014 0.000 1.345 624 I HN 0.315 nan 8.210 nan 0.000 0.461 625 A N 7.394 130.628 122.820 0.688 0.000 2.288 625 A HA 0.888 5.208 4.320 0.000 0.000 0.328 625 A C -0.821 177.106 177.584 0.572 0.000 1.123 625 A CA -0.636 51.740 52.037 0.565 0.000 0.861 625 A CB 1.698 20.879 19.000 0.302 0.000 1.272 625 A HN 0.736 nan 8.150 nan 0.000 0.490 626 I N 0.701 121.498 120.570 0.378 0.000 2.607 626 I HA 0.618 4.788 4.170 0.000 0.000 0.290 626 I C -1.824 174.506 176.117 0.355 0.000 1.129 626 I CA -0.582 60.859 61.300 0.235 0.000 1.042 626 I CB 1.390 39.194 38.000 -0.327 0.000 1.242 626 I HN 0.909 nan 8.210 nan 0.000 0.421 627 W N 7.546 128.956 121.300 0.182 0.000 3.107 627 W HA 0.882 5.542 4.660 0.000 0.000 0.331 627 W C -1.422 175.231 176.519 0.224 0.000 1.204 627 W CA -1.195 56.271 57.345 0.202 0.000 1.184 627 W CB 1.272 30.908 29.460 0.292 0.000 1.421 627 W HN 0.785 nan 8.180 nan 0.000 0.544 628 G N 1.132 109.785 108.800 -0.245 0.000 2.632 628 G HA2 0.449 4.409 3.960 0.000 0.000 0.292 628 G HA3 0.449 4.409 3.960 0.000 0.000 0.292 628 G C -2.746 172.043 174.900 -0.185 0.000 1.465 628 G CA -0.734 44.079 45.100 -0.478 0.000 0.824 628 G HN 0.588 nan 8.290 nan 0.000 0.509 629 W N 1.213 122.337 121.300 -0.292 0.000 2.606 629 W HA 0.609 5.269 4.660 0.000 0.000 0.332 629 W C 0.786 177.326 176.519 0.036 0.000 1.052 629 W CA 0.424 57.710 57.345 -0.097 0.000 1.223 629 W CB 1.795 31.206 29.460 -0.081 0.000 1.383 629 W HN 1.242 nan 8.180 nan 0.000 0.524 630 S N 2.884 118.809 115.700 0.374 0.000 4.142 630 S HA -0.414 4.056 4.470 0.000 0.000 0.624 630 S C 1.072 175.780 174.600 0.180 0.000 1.892 630 S CA 1.518 59.960 58.200 0.404 0.000 4.236 630 S CB -1.865 61.721 63.200 0.644 0.000 0.204 630 S HN 0.704 nan 8.310 nan 0.000 0.486 631 Y N 2.528 122.832 120.300 0.006 0.000 2.207 631 Y HA 0.042 4.592 4.550 0.000 0.000 0.287 631 Y C 2.431 178.221 175.900 -0.184 0.000 1.156 631 Y CA 2.773 60.750 58.100 -0.206 0.000 1.182 631 Y CB -1.087 37.053 38.460 -0.534 0.000 0.979 631 Y HN 0.571 nan 8.280 nan 0.000 0.521 632 G N -0.750 108.030 108.800 -0.033 0.000 2.469 632 G HA2 -0.304 3.656 3.960 0.000 0.000 0.220 632 G HA3 -0.304 3.656 3.960 0.000 0.000 0.220 632 G C 1.931 176.834 174.900 0.005 0.000 1.136 632 G CA 0.907 46.029 45.100 0.036 0.000 0.759 632 G HN 0.594 nan 8.290 nan 0.000 0.562 633 G N -0.178 108.635 108.800 0.022 0.000 2.418 633 G HA2 -0.261 3.699 3.960 0.000 0.000 0.217 633 G HA3 -0.261 3.699 3.960 0.000 0.000 0.217 633 G C 1.625 176.524 174.900 -0.003 0.000 1.158 633 G CA 1.152 46.252 45.100 -0.000 0.000 0.771 633 G HN 0.441 nan 8.290 nan 0.000 0.545 634 Y N 1.434 121.612 120.300 -0.203 0.000 2.128 634 Y HA -0.162 4.388 4.550 -0.000 0.000 0.284 634 Y C 2.792 178.568 175.900 -0.206 0.000 1.154 634 Y CA 1.767 59.694 58.100 -0.288 0.000 1.149 634 Y CB -0.494 37.635 38.460 -0.553 0.000 0.976 634 Y HN 0.039 nan 8.280 nan 0.000 0.505 635 V N -0.363 119.385 119.914 -0.276 0.000 2.343 635 V HA -0.314 3.806 4.120 0.000 0.000 0.247 635 V C 2.310 178.272 176.094 -0.219 0.000 1.051 635 V CA 2.382 64.519 62.300 -0.272 0.000 1.036 635 V CB -1.260 30.545 31.823 -0.030 0.000 0.654 635 V HN 0.483 nan 8.190 nan 0.000 0.451 636 T N 0.032 114.509 114.554 -0.129 0.000 2.665 636 T HA -0.222 4.128 4.350 0.000 0.000 0.268 636 T C 2.138 176.767 174.700 -0.117 0.000 1.035 636 T CA 2.092 64.128 62.100 -0.106 0.000 1.151 636 T CB -0.315 68.561 68.868 0.013 0.000 0.862 636 T HN 0.510 nan 8.240 nan 0.000 0.438 637 S N 0.937 116.601 115.700 -0.060 0.000 2.368 637 S HA -0.005 4.465 4.470 0.000 0.000 0.224 637 S C 2.141 176.656 174.600 -0.142 0.000 1.029 637 S CA 0.914 59.111 58.200 -0.004 0.000 0.988 637 S CB -0.272 62.970 63.200 0.071 0.000 0.838 637 S HN 0.322 nan 8.310 nan 0.000 0.462 638 M N 0.930 120.351 119.600 -0.298 0.000 2.159 638 M HA -0.019 4.461 4.480 0.000 0.000 0.263 638 M C 2.195 178.335 176.300 -0.267 0.000 1.063 638 M CA 1.023 56.128 55.300 -0.326 0.000 1.110 638 M CB -1.405 30.887 32.600 -0.513 0.000 1.374 638 M HN 0.174 nan 8.290 nan 0.000 0.411 639 V N 0.672 120.421 119.914 -0.274 0.000 2.295 639 V HA -0.244 3.876 4.120 0.000 0.000 0.246 639 V C 2.510 178.417 176.094 -0.312 0.000 1.049 639 V CA 1.431 63.574 62.300 -0.262 0.000 1.024 639 V CB -0.649 30.955 31.823 -0.364 0.000 0.648 639 V HN 0.398 nan 8.190 nan 0.000 0.447 640 L N 0.379 121.343 121.223 -0.431 0.000 2.141 640 L HA -0.037 4.303 4.340 0.000 0.000 0.209 640 L C 2.173 178.491 176.870 -0.920 0.000 1.094 640 L CA 1.481 55.949 54.840 -0.621 0.000 0.763 640 L CB -0.688 40.943 42.059 -0.713 0.000 0.908 640 L HN 0.484 nan 8.230 nan 0.000 0.437 641 G N -1.423 106.868 108.800 -0.847 0.000 3.314 641 G HA2 -0.003 3.957 3.960 0.000 0.000 0.238 641 G HA3 -0.003 3.957 3.960 0.000 0.000 0.238 641 G C 1.396 176.145 174.900 -0.252 0.000 1.184 641 G CA 0.562 45.313 45.100 -0.582 0.000 0.806 641 G HN 0.423 nan 8.290 nan 0.000 0.536 642 S N -0.946 114.620 115.700 -0.223 0.000 2.458 642 S HA 0.327 4.797 4.470 0.000 0.000 0.223 642 S C 1.855 176.407 174.600 -0.080 0.000 1.019 642 S CA 1.036 59.166 58.200 -0.116 0.000 0.937 642 S CB -0.006 63.144 63.200 -0.083 0.000 0.788 642 S HN 1.360 nan 8.310 nan 0.000 0.511 643 G N 1.438 110.183 108.800 -0.091 0.000 2.137 643 G HA2 -0.309 3.651 3.960 0.000 0.000 0.237 643 G HA3 -0.309 3.651 3.960 0.000 0.000 0.237 643 G C 0.906 175.790 174.900 -0.027 0.000 1.002 643 G CA 0.911 45.978 45.100 -0.055 0.000 0.702 643 G HN 1.228 nan 8.290 nan 0.000 0.515 644 S N -0.827 114.868 115.700 -0.008 0.000 2.402 644 S HA 0.293 4.763 4.470 0.000 0.000 0.229 644 S C 2.630 177.222 174.600 -0.015 0.000 1.021 644 S CA 1.902 60.104 58.200 0.004 0.000 0.974 644 S CB -0.204 63.028 63.200 0.053 0.000 0.800 644 S HN 2.450 nan 8.310 nan 0.000 0.484 645 G N -0.069 108.730 108.800 -0.002 0.000 2.225 645 G HA2 -0.305 3.655 3.960 0.000 0.000 0.254 645 G HA3 -0.305 3.655 3.960 0.000 0.000 0.254 645 G C 0.869 175.738 174.900 -0.052 0.000 0.988 645 G CA 0.384 45.473 45.100 -0.018 0.000 0.625 645 G HN 0.715 nan 8.290 nan 0.000 0.527 646 V N 0.001 119.847 119.914 -0.114 0.000 2.427 646 V HA 0.191 4.311 4.120 0.000 0.000 0.248 646 V C 1.267 177.121 176.094 -0.400 0.000 1.051 646 V CA 1.705 63.802 62.300 -0.339 0.000 1.048 646 V CB -0.416 31.060 31.823 -0.579 0.000 0.666 646 V HN 0.325 nan 8.190 nan 0.000 0.456 647 F N -0.175 119.783 119.950 0.013 0.000 2.420 647 F HA 0.384 4.911 4.527 0.000 0.000 0.342 647 F C 1.087 176.924 175.800 0.063 0.000 1.113 647 F CA -0.501 57.533 58.000 0.057 0.000 1.059 647 F CB 1.378 40.412 39.000 0.056 0.000 1.128 647 F HN -0.246 nan 8.300 nan 0.000 0.475 648 K N 1.832 122.396 120.400 0.273 0.000 2.116 648 K HA 0.075 4.395 4.320 0.000 0.000 0.203 648 K C -0.082 176.641 176.600 0.206 0.000 1.052 648 K CA 0.999 57.406 56.287 0.200 0.000 0.952 648 K CB 0.232 32.855 32.500 0.205 0.000 0.729 648 K HN 0.803 nan 8.250 nan 0.000 0.446 649 c N -2.755 116.004 118.600 0.264 0.000 3.321 649 c HA 0.878 5.448 4.570 0.000 0.000 0.329 649 c C -0.261 174.036 174.090 0.345 0.000 1.394 649 c CA -0.675 55.829 56.329 0.291 0.000 1.291 649 c CB 1.092 43.722 42.510 0.200 0.000 1.606 649 c HN 0.342 nan 8.230 nan 0.000 0.463 650 G N 0.022 109.083 108.800 0.436 0.000 2.698 650 G HA2 0.731 4.691 3.960 0.000 0.000 0.293 650 G HA3 0.731 4.691 3.960 0.000 0.000 0.293 650 G C -1.891 173.217 174.900 0.347 0.000 1.437 650 G CA -0.738 44.590 45.100 0.380 0.000 0.852 650 G HN 0.993 nan 8.290 nan 0.000 0.499 651 I N 1.105 121.844 120.570 0.282 0.000 2.410 651 I HA 0.566 4.736 4.170 0.000 0.000 0.286 651 I C 0.270 176.482 176.117 0.159 0.000 1.009 651 I CA -0.874 60.483 61.300 0.095 0.000 1.111 651 I CB 2.071 40.127 38.000 0.093 0.000 1.262 651 I HN 0.588 nan 8.210 nan 0.000 0.443 652 A N 6.870 129.693 122.820 0.005 0.000 2.258 652 A HA 0.749 5.069 4.320 0.000 0.000 0.316 652 A C -0.552 176.930 177.584 -0.170 0.000 1.279 652 A CA -0.481 51.556 52.037 0.000 0.000 0.876 652 A CB 0.855 19.928 19.000 0.121 0.000 1.170 652 A HN 0.461 nan 8.150 nan 0.000 0.520 653 V N 2.155 121.915 119.914 -0.257 0.000 2.398 653 V HA 0.568 4.688 4.120 0.000 0.000 0.286 653 V C 0.991 176.700 176.094 -0.642 0.000 1.026 653 V CA 0.193 62.132 62.300 -0.602 0.000 0.868 653 V CB 0.871 32.031 31.823 -1.105 0.000 0.982 653 V HN 1.981 nan 8.190 nan 0.000 0.443 654 A N 5.568 127.986 122.820 -0.669 0.000 2.364 654 A HA -0.111 4.209 4.320 0.000 0.000 0.288 654 A C -1.816 175.620 177.584 -0.246 0.000 1.433 654 A CA 0.373 51.937 52.037 -0.788 0.000 0.757 654 A CB -1.540 17.090 19.000 -0.618 0.000 1.098 654 A HN 0.623 nan 8.150 nan 0.000 0.380 655 P HA 0.420 nan 4.420 nan 0.000 0.281 655 P C 0.184 177.447 177.300 -0.061 0.000 1.249 655 P CA -0.273 62.802 63.100 -0.042 0.000 0.810 655 P CB 1.204 32.896 31.700 -0.014 0.000 1.008 656 V N 2.239 122.006 119.914 -0.244 0.000 2.637 656 V HA 0.053 4.173 4.120 0.000 0.000 0.296 656 V C 1.771 177.651 176.094 -0.358 0.000 1.046 656 V CA 1.073 63.070 62.300 -0.504 0.000 1.066 656 V CB 0.568 31.660 31.823 -1.219 0.000 0.968 656 V HN 0.839 nan 8.190 nan 0.000 0.483 657 S N 3.850 119.377 115.700 -0.288 0.000 2.575 657 S HA 0.285 4.755 4.470 0.000 0.000 0.230 657 S C 0.631 175.066 174.600 -0.274 0.000 1.062 657 S CA -0.344 57.765 58.200 -0.152 0.000 0.913 657 S CB 0.367 63.543 63.200 -0.039 0.000 0.837 657 S HN 0.668 nan 8.310 nan 0.000 0.487 658 R N -0.796 119.429 120.500 -0.458 0.000 2.508 658 R HA 0.333 4.673 4.340 0.000 0.000 0.283 658 R C -1.027 174.982 176.300 -0.485 0.000 1.120 658 R CA -0.651 55.128 56.100 -0.535 0.000 0.958 658 R CB 0.651 30.437 30.300 -0.857 0.000 1.215 658 R HN 0.303 nan 8.270 nan 0.000 0.427 659 W N 1.992 123.200 121.300 -0.153 0.000 2.421 659 W HA -0.060 4.600 4.660 0.000 0.000 0.270 659 W C 1.287 177.939 176.519 0.222 0.000 1.233 659 W CA 0.587 57.926 57.345 -0.010 0.000 1.226 659 W CB 0.374 29.736 29.460 -0.164 0.000 1.121 659 W HN 0.680 nan 8.180 nan 0.000 0.579 660 E N -0.903 119.496 120.200 0.333 0.000 2.409 660 E HA -0.195 4.155 4.350 0.000 0.000 0.198 660 E C 1.300 178.069 176.600 0.282 0.000 1.024 660 E CA 0.751 57.293 56.400 0.237 0.000 0.861 660 E CB -0.191 29.539 29.700 0.049 0.000 0.788 660 E HN 0.372 nan 8.360 nan 0.000 0.521 661 Y N -1.449 118.958 120.300 0.179 0.000 2.490 661 Y HA 0.036 4.586 4.550 0.000 0.000 0.285 661 Y C 0.818 176.850 175.900 0.220 0.000 1.117 661 Y CA -0.233 57.950 58.100 0.137 0.000 1.262 661 Y CB -0.423 38.058 38.460 0.034 0.000 1.043 661 Y HN 0.017 nan 8.280 nan 0.000 0.553 662 Y N 1.988 122.469 120.300 0.302 0.000 2.334 662 Y HA 0.272 4.822 4.550 -0.000 0.000 0.325 662 Y C 0.348 176.474 175.900 0.376 0.000 1.308 662 Y CA -1.930 56.352 58.100 0.302 0.000 1.389 662 Y CB 0.325 38.984 38.460 0.333 0.000 1.328 662 Y HN 0.192 nan 8.280 nan 0.000 0.532 663 D N -0.554 119.536 120.400 -0.517 0.000 2.362 663 D HA 0.114 4.754 4.640 0.000 0.000 0.242 663 D C 0.885 177.150 176.300 -0.058 0.000 1.132 663 D CA 0.301 54.075 54.000 -0.377 0.000 0.907 663 D CB 0.992 41.334 40.800 -0.763 0.000 1.195 663 D HN 0.479 nan 8.370 nan 0.000 0.429 664 S N 1.159 116.841 115.700 -0.031 0.000 2.348 664 S HA -0.213 4.257 4.470 0.000 0.000 0.221 664 S C 1.949 176.583 174.600 0.056 0.000 1.033 664 S CA 1.125 59.368 58.200 0.071 0.000 1.010 664 S CB -1.029 62.217 63.200 0.078 0.000 0.891 664 S HN 0.436 nan 8.310 nan 0.000 0.442 665 V N 1.023 120.906 119.914 -0.051 0.000 2.252 665 V HA -0.217 3.903 4.120 0.000 0.000 0.249 665 V C 2.327 178.350 176.094 -0.119 0.000 1.056 665 V CA 2.384 64.555 62.300 -0.215 0.000 1.022 665 V CB -1.170 30.360 31.823 -0.488 0.000 0.641 665 V HN 0.602 nan 8.190 nan 0.000 0.445 666 Y N 1.385 121.636 120.300 -0.082 0.000 2.109 666 Y HA -0.219 4.331 4.550 0.000 0.000 0.285 666 Y C 2.748 178.703 175.900 0.091 0.000 1.131 666 Y CA 2.311 60.458 58.100 0.077 0.000 1.121 666 Y CB -0.694 37.983 38.460 0.362 0.000 0.987 666 Y HN 0.233 nan 8.280 nan 0.000 0.495 667 T N 0.394 115.210 114.554 0.437 0.000 2.652 667 T HA -0.213 4.137 4.350 0.000 0.000 0.267 667 T C 1.568 176.280 174.700 0.020 0.000 1.039 667 T CA 1.990 64.266 62.100 0.293 0.000 1.153 667 T CB -0.354 68.806 68.868 0.487 0.000 0.863 667 T HN 0.442 nan 8.240 nan 0.000 0.428 668 E N 0.516 120.749 120.200 0.055 0.000 2.204 668 E HA -0.083 4.267 4.350 0.000 0.000 0.194 668 E C 2.323 178.831 176.600 -0.155 0.000 0.989 668 E CA 0.415 56.834 56.400 0.032 0.000 0.824 668 E CB -0.119 29.638 29.700 0.096 0.000 0.756 668 E HN 0.350 nan 8.360 nan 0.000 0.477 669 R N 0.204 120.465 120.500 -0.399 0.000 2.103 669 R HA -0.204 4.136 4.340 0.000 0.000 0.242 669 R C 1.297 177.066 176.300 -0.884 0.000 1.142 669 R CA 1.693 57.345 56.100 -0.745 0.000 0.960 669 R CB -0.061 29.491 30.300 -1.247 0.000 0.858 669 R HN 0.240 nan 8.270 nan 0.000 0.439 670 Y N -2.114 117.878 120.300 -0.514 0.000 2.507 670 Y HA 0.211 4.761 4.550 0.000 0.000 0.263 670 Y C 1.759 177.481 175.900 -0.298 0.000 1.093 670 Y CA 0.037 57.832 58.100 -0.507 0.000 1.285 670 Y CB 0.437 38.462 38.460 -0.724 0.000 1.115 670 Y HN -0.013 nan 8.280 nan 0.000 0.533 671 M N -0.678 118.825 119.600 -0.162 0.000 2.331 671 M HA 0.359 4.839 4.480 0.000 0.000 0.266 671 M C 1.162 177.497 176.300 0.059 0.000 1.055 671 M CA 0.813 56.019 55.300 -0.157 0.000 1.048 671 M CB -0.207 32.093 32.600 -0.500 0.000 1.460 671 M HN 0.334 nan 8.290 nan 0.000 0.519 672 G N 1.947 110.793 108.800 0.077 0.000 2.601 672 G HA2 -0.254 3.706 3.960 0.000 0.000 0.252 672 G HA3 -0.254 3.706 3.960 0.000 0.000 0.252 672 G C -0.485 174.568 174.900 0.254 0.000 1.294 672 G CA -0.608 44.574 45.100 0.137 0.000 0.912 672 G HN 0.357 nan 8.290 nan 0.000 0.574 673 L N 1.534 122.861 121.223 0.175 0.000 2.343 673 L HA 0.502 4.842 4.340 0.000 0.000 0.275 673 L C -1.725 175.108 176.870 -0.062 0.000 1.056 673 L CA -1.913 52.969 54.840 0.069 0.000 0.804 673 L CB 2.155 44.225 42.059 0.019 0.000 1.203 673 L HN 0.393 nan 8.230 nan 0.000 0.440 674 P HA 0.117 nan 4.420 nan 0.000 0.212 674 P C -0.739 176.407 177.300 -0.257 0.000 1.816 674 P CA -0.228 62.454 63.100 -0.696 0.000 0.944 674 P CB -0.276 30.723 31.700 -1.168 0.000 1.896 675 T N -2.969 111.518 114.554 -0.111 0.000 2.908 675 T HA 0.482 4.832 4.350 0.000 0.000 0.290 675 T C -2.268 172.427 174.700 -0.008 0.000 1.034 675 T CA -2.600 59.470 62.100 -0.050 0.000 1.010 675 T CB 1.840 70.690 68.868 -0.030 0.000 1.068 675 T HN -0.282 nan 8.240 nan 0.000 0.481 676 P HA -0.056 nan 4.420 nan 0.000 0.219 676 P C 1.000 178.312 177.300 0.020 0.000 1.146 676 P CA 0.962 64.071 63.100 0.015 0.000 0.808 676 P CB 0.069 31.774 31.700 0.010 0.000 0.779 677 E N -1.005 119.202 120.200 0.013 0.000 2.153 677 E HA -0.150 4.200 4.350 0.000 0.000 0.194 677 E C 1.552 178.167 176.600 0.025 0.000 0.988 677 E CA 1.130 57.539 56.400 0.015 0.000 0.811 677 E CB -0.339 29.366 29.700 0.007 0.000 0.746 677 E HN 0.306 nan 8.360 nan 0.000 0.466 678 D N -0.801 119.620 120.400 0.034 0.000 2.838 678 D HA 0.088 4.728 4.640 0.000 0.000 0.245 678 D C 0.353 176.707 176.300 0.091 0.000 1.424 678 D CA 0.140 54.173 54.000 0.055 0.000 1.214 678 D CB 0.005 40.839 40.800 0.056 0.000 0.937 678 D HN -0.024 nan 8.370 nan 0.000 0.232 679 N N 0.551 119.338 118.700 0.145 0.000 2.299 679 N HA 0.097 4.838 4.740 0.000 0.000 0.246 679 N C 1.511 177.221 175.510 0.335 0.000 1.254 679 N CA -0.144 53.045 53.050 0.232 0.000 0.879 679 N CB 0.934 39.582 38.487 0.269 0.000 1.214 679 N HN 0.123 nan 8.380 nan 0.000 0.510 680 L N 0.750 122.082 121.223 0.181 0.000 2.021 680 L HA -0.239 4.101 4.340 0.000 0.000 0.215 680 L C 1.210 178.192 176.870 0.187 0.000 1.074 680 L CA 1.949 56.869 54.840 0.133 0.000 0.760 680 L CB -0.317 41.760 42.059 0.030 0.000 0.889 680 L HN 0.248 nan 8.230 nan 0.000 0.433 681 D N -1.363 119.127 120.400 0.150 0.000 2.133 681 D HA -0.264 4.376 4.640 0.000 0.000 0.195 681 D C 2.069 178.465 176.300 0.160 0.000 0.997 681 D CA 1.365 55.442 54.000 0.129 0.000 0.840 681 D CB -0.263 40.601 40.800 0.107 0.000 0.947 681 D HN 0.494 nan 8.370 nan 0.000 0.452 682 H N -1.156 117.982 119.070 0.113 0.000 2.482 682 H HA -0.054 4.502 4.556 0.000 0.000 0.286 682 H C 1.615 177.010 175.328 0.112 0.000 1.017 682 H CA 0.542 56.638 56.048 0.079 0.000 1.322 682 H CB 0.081 29.857 29.762 0.024 0.000 1.426 682 H HN 0.199 nan 8.280 nan 0.000 0.546 683 Y N 0.854 121.163 120.300 0.015 0.000 2.315 683 Y HA -0.183 4.367 4.550 0.000 0.000 0.288 683 Y C 2.806 178.676 175.900 -0.048 0.000 1.154 683 Y CA 1.588 59.697 58.100 0.014 0.000 1.229 683 Y CB 0.075 38.568 38.460 0.055 0.000 0.980 683 Y HN 0.089 nan 8.280 nan 0.000 0.540 684 R N -0.638 119.923 120.500 0.101 0.000 2.237 684 R HA 0.042 4.382 4.340 0.000 0.000 0.195 684 R C 1.396 177.684 176.300 -0.021 0.000 0.956 684 R CA 0.481 56.601 56.100 0.034 0.000 1.029 684 R CB 0.161 30.487 30.300 0.044 0.000 0.972 684 R HN 0.153 nan 8.270 nan 0.000 0.493 685 N N -0.513 118.151 118.700 -0.061 0.000 2.422 685 N HA -0.051 4.689 4.740 0.000 0.000 0.181 685 N C 0.518 175.941 175.510 -0.145 0.000 1.080 685 N CA 0.912 53.916 53.050 -0.078 0.000 0.893 685 N CB 0.636 39.113 38.487 -0.016 0.000 0.973 685 N HN 0.136 nan 8.380 nan 0.000 0.456 686 S N -0.962 114.597 115.700 -0.236 0.000 2.583 686 S HA 0.083 4.553 4.470 0.000 0.000 0.239 686 S C 0.636 175.260 174.600 0.040 0.000 0.966 686 S CA -0.692 57.429 58.200 -0.131 0.000 0.973 686 S CB -0.604 62.445 63.200 -0.251 0.000 0.794 686 S HN 0.209 nan 8.310 nan 0.000 0.463 687 T N -1.189 113.350 114.554 -0.025 0.000 2.904 687 T HA 0.451 4.801 4.350 0.000 0.000 0.290 687 T C 1.356 176.042 174.700 -0.023 0.000 1.018 687 T CA -0.579 61.499 62.100 -0.038 0.000 1.075 687 T CB 1.253 70.069 68.868 -0.087 0.000 0.986 687 T HN -0.031 nan 8.240 nan 0.000 0.523 688 V N 2.437 122.335 119.914 -0.026 0.000 2.358 688 V HA -0.145 3.975 4.120 0.000 0.000 0.246 688 V C 2.694 178.748 176.094 -0.067 0.000 1.047 688 V CA 1.833 64.103 62.300 -0.050 0.000 1.035 688 V CB -0.967 30.821 31.823 -0.058 0.000 0.658 688 V HN 0.854 nan 8.190 nan 0.000 0.452 689 M N 1.296 120.843 119.600 -0.087 0.000 2.108 689 M HA -0.216 4.264 4.480 0.000 0.000 0.257 689 M C 2.302 178.566 176.300 -0.059 0.000 1.071 689 M CA 2.368 57.613 55.300 -0.091 0.000 1.093 689 M CB -1.060 31.499 32.600 -0.070 0.000 1.345 689 M HN 0.545 nan 8.290 nan 0.000 0.403 690 S N -0.436 115.240 115.700 -0.040 0.000 2.500 690 S HA -0.079 4.391 4.470 0.000 0.000 0.239 690 S C 1.615 176.212 174.600 -0.005 0.000 0.989 690 S CA 0.748 58.935 58.200 -0.022 0.000 0.951 690 S CB -0.488 62.698 63.200 -0.022 0.000 0.759 690 S HN 0.559 nan 8.310 nan 0.000 0.523 691 R N 0.259 120.766 120.500 0.012 0.000 2.509 691 R HA 0.457 4.797 4.340 0.000 0.000 0.300 691 R C 1.912 178.299 176.300 0.145 0.000 0.985 691 R CA 0.430 56.563 56.100 0.054 0.000 1.092 691 R CB -0.059 30.270 30.300 0.048 0.000 1.237 691 R HN 0.444 nan 8.270 nan 0.000 0.546 692 A N 1.736 124.594 122.820 0.064 0.000 1.940 692 A HA -0.200 4.120 4.320 0.000 0.000 0.219 692 A C 1.804 179.458 177.584 0.117 0.000 1.176 692 A CA 1.312 53.364 52.037 0.025 0.000 0.631 692 A CB -0.078 18.868 19.000 -0.090 0.000 0.814 692 A HN 0.174 nan 8.150 nan 0.000 0.446 693 E N 0.529 120.778 120.200 0.081 0.000 2.085 693 E HA -0.176 4.174 4.350 0.000 0.000 0.194 693 E C 1.312 177.966 176.600 0.090 0.000 0.994 693 E CA 1.150 57.593 56.400 0.072 0.000 0.801 693 E CB -0.504 29.221 29.700 0.041 0.000 0.743 693 E HN 0.593 nan 8.360 nan 0.000 0.453 694 N N 0.210 118.957 118.700 0.077 0.000 2.573 694 N HA -0.078 4.662 4.740 0.000 0.000 0.187 694 N C 1.228 176.706 175.510 -0.054 0.000 1.107 694 N CA 0.373 53.419 53.050 -0.007 0.000 0.918 694 N CB -0.286 38.155 38.487 -0.076 0.000 0.966 694 N HN 0.136 nan 8.380 nan 0.000 0.448 695 F N 1.335 121.240 119.950 -0.076 0.000 2.661 695 F HA -0.012 4.515 4.527 0.000 0.000 0.298 695 F C 1.867 177.669 175.800 0.004 0.000 1.137 695 F CA 0.465 58.414 58.000 -0.086 0.000 1.454 695 F CB 0.126 39.024 39.000 -0.170 0.000 1.103 695 F HN 0.089 nan 8.300 nan 0.000 0.577 696 K N -0.063 120.434 120.400 0.161 0.000 2.442 696 K HA -0.130 4.190 4.320 0.000 0.000 0.198 696 K C 1.155 177.811 176.600 0.094 0.000 1.042 696 K CA 1.181 57.547 56.287 0.132 0.000 0.958 696 K CB -0.477 32.084 32.500 0.101 0.000 0.766 696 K HN 0.300 nan 8.250 nan 0.000 0.474 697 Q N 1.048 120.880 119.800 0.054 0.000 2.360 697 Q HA 0.103 4.443 4.340 0.000 0.000 0.202 697 Q C -0.023 176.007 176.000 0.050 0.000 0.915 697 Q CA 0.005 55.830 55.803 0.036 0.000 0.943 697 Q CB 0.697 29.436 28.738 0.003 0.000 1.064 697 Q HN 0.343 nan 8.270 nan 0.000 0.511 698 V N -3.464 116.495 119.914 0.076 0.000 3.114 698 V HA 0.468 4.588 4.120 0.000 0.000 0.308 698 V C -1.272 174.953 176.094 0.218 0.000 1.168 698 V CA -1.316 61.053 62.300 0.115 0.000 1.015 698 V CB 2.346 34.194 31.823 0.041 0.000 1.050 698 V HN -0.033 nan 8.190 nan 0.000 0.433 699 E N 1.627 121.986 120.200 0.264 0.000 2.227 699 E HA 0.483 4.833 4.350 0.000 0.000 0.282 699 E C -1.852 175.111 176.600 0.606 0.000 1.015 699 E CA -0.407 56.223 56.400 0.382 0.000 0.823 699 E CB 1.794 31.644 29.700 0.251 0.000 1.081 699 E HN 0.693 nan 8.360 nan 0.000 0.396 700 Y N 3.249 123.820 120.300 0.453 0.000 2.361 700 Y HA 0.385 4.935 4.550 0.000 0.000 0.337 700 Y C -1.712 174.281 175.900 0.154 0.000 0.965 700 Y CA -1.427 56.879 58.100 0.342 0.000 1.091 700 Y CB 1.038 39.738 38.460 0.401 0.000 1.182 700 Y HN 0.384 nan 8.280 nan 0.000 0.450 701 L N 7.688 128.626 121.223 -0.474 0.000 2.298 701 L HA 0.574 4.914 4.340 0.000 0.000 0.284 701 L C -1.980 174.439 176.870 -0.751 0.000 1.013 701 L CA -0.844 53.571 54.840 -0.709 0.000 0.824 701 L CB 1.138 42.505 42.059 -1.153 0.000 1.221 701 L HN 0.641 nan 8.230 nan 0.000 0.418 702 L N 6.829 127.694 121.223 -0.596 0.000 2.305 702 L HA 0.672 5.012 4.340 0.000 0.000 0.284 702 L C -0.991 175.751 176.870 -0.212 0.000 1.013 702 L CA -0.019 54.537 54.840 -0.474 0.000 0.819 702 L CB 1.075 42.896 42.059 -0.397 0.000 1.227 702 L HN 0.538 nan 8.230 nan 0.000 0.417 703 I N 4.367 124.822 120.570 -0.190 0.000 2.582 703 I HA 0.446 4.616 4.170 0.000 0.000 0.292 703 I C -1.196 174.890 176.117 -0.052 0.000 1.066 703 I CA -0.771 60.471 61.300 -0.096 0.000 1.053 703 I CB 2.080 39.988 38.000 -0.152 0.000 1.241 703 I HN 0.660 nan 8.210 nan 0.000 0.421 704 H N 2.138 121.252 119.070 0.073 0.000 3.086 704 H HA 0.454 5.010 4.556 0.000 0.000 0.353 704 H C -0.251 175.313 175.328 0.393 0.000 1.134 704 H CA -0.509 55.633 56.048 0.157 0.000 1.248 704 H CB 2.061 31.838 29.762 0.025 0.000 1.878 704 H HN 0.780 nan 8.280 nan 0.000 0.527 705 G N 1.120 110.246 108.800 0.542 0.000 2.403 705 G HA2 0.175 4.135 3.960 0.000 0.000 0.259 705 G HA3 0.175 4.135 3.960 0.000 0.000 0.259 705 G C 1.193 176.399 174.900 0.509 0.000 1.244 705 G CA 0.184 45.585 45.100 0.501 0.000 0.849 705 G HN 0.762 nan 8.290 nan 0.000 0.532 706 T N -0.551 114.161 114.554 0.264 0.000 2.915 706 T HA 0.056 4.406 4.350 0.000 0.000 0.269 706 T C 1.704 176.397 174.700 -0.012 0.000 1.071 706 T CA 1.352 63.417 62.100 -0.059 0.000 1.132 706 T CB 0.117 68.873 68.868 -0.186 0.000 0.878 706 T HN 0.729 nan 8.240 nan 0.000 0.479 707 A N 1.020 123.902 122.820 0.103 0.000 2.708 707 A HA 0.330 4.650 4.320 0.000 0.000 0.293 707 A C 0.285 177.842 177.584 -0.045 0.000 1.303 707 A CA -0.537 51.529 52.037 0.048 0.000 0.949 707 A CB -0.326 18.961 19.000 0.478 0.000 1.121 707 A HN 0.362 nan 8.150 nan 0.000 0.542 708 D N 1.555 121.945 120.400 -0.016 0.000 2.346 708 D HA 0.001 4.641 4.640 0.000 0.000 0.260 708 D C 0.412 176.643 176.300 -0.115 0.000 1.252 708 D CA 0.199 54.265 54.000 0.110 0.000 0.895 708 D CB 0.726 41.745 40.800 0.366 0.000 1.097 708 D HN 0.582 nan 8.370 nan 0.000 0.489 709 D N 2.199 122.594 120.400 -0.008 0.000 2.348 709 D HA -0.123 4.517 4.640 0.000 0.000 0.211 709 D C 0.947 177.173 176.300 -0.123 0.000 0.998 709 D CA -0.071 53.877 54.000 -0.087 0.000 0.873 709 D CB 0.465 41.146 40.800 -0.199 0.000 0.925 709 D HN 0.216 nan 8.370 nan 0.000 0.524 710 N N 0.851 119.567 118.700 0.026 0.000 2.418 710 N HA -0.049 4.691 4.740 0.000 0.000 0.199 710 N C -0.062 175.360 175.510 -0.147 0.000 1.044 710 N CA 0.562 53.686 53.050 0.124 0.000 0.943 710 N CB 0.460 39.053 38.487 0.176 0.000 1.154 710 N HN -0.115 nan 8.380 nan 0.000 0.467 711 V N 3.114 122.938 119.914 -0.150 0.000 2.259 711 V HA 0.246 4.366 4.120 0.000 0.000 0.267 711 V C -0.628 175.475 176.094 0.015 0.000 1.051 711 V CA -0.545 61.709 62.300 -0.077 0.000 0.830 711 V CB -0.494 31.329 31.823 0.001 0.000 1.080 711 V HN 0.294 nan 8.190 nan 0.000 0.467 712 H N 2.922 121.960 119.070 -0.053 0.000 3.038 712 H HA -0.039 4.517 4.556 0.000 0.000 0.338 712 H C 0.868 176.030 175.328 -0.275 0.000 1.041 712 H CA 0.169 56.105 56.048 -0.187 0.000 1.394 712 H CB 0.672 30.247 29.762 -0.311 0.000 1.357 712 H HN 0.599 nan 8.280 nan 0.000 0.600 713 F N 2.022 121.748 119.950 -0.373 0.000 2.147 713 F HA -0.342 4.185 4.527 0.000 0.000 0.301 713 F C 2.628 178.140 175.800 -0.480 0.000 1.084 713 F CA 1.980 59.570 58.000 -0.682 0.000 1.268 713 F CB -0.214 38.582 39.000 -0.340 0.000 1.009 713 F HN 0.693 nan 8.300 nan 0.000 0.486 714 Q N 0.174 119.858 119.800 -0.193 0.000 2.207 714 Q HA -0.355 3.985 4.340 0.000 0.000 0.215 714 Q C 2.078 177.851 176.000 -0.378 0.000 1.006 714 Q CA 2.536 58.169 55.803 -0.284 0.000 0.903 714 Q CB -0.404 28.130 28.738 -0.340 0.000 0.947 714 Q HN 0.625 nan 8.270 nan 0.000 0.414 715 Q N -0.497 119.107 119.800 -0.326 0.000 2.050 715 Q HA -0.117 4.223 4.340 0.000 0.000 0.202 715 Q C 2.269 178.164 176.000 -0.175 0.000 0.980 715 Q CA 1.739 57.467 55.803 -0.125 0.000 0.840 715 Q CB -0.093 28.641 28.738 -0.006 0.000 0.898 715 Q HN 0.342 nan 8.270 nan 0.000 0.424 716 S N 0.810 116.290 115.700 -0.367 0.000 2.387 716 S HA -0.020 4.450 4.470 0.000 0.000 0.226 716 S C 2.084 176.442 174.600 -0.404 0.000 1.026 716 S CA 0.723 58.708 58.200 -0.358 0.000 0.972 716 S CB -0.137 62.826 63.200 -0.395 0.000 0.814 716 S HN 0.469 nan 8.310 nan 0.000 0.477 717 A N 1.565 124.058 122.820 -0.545 0.000 1.940 717 A HA -0.173 4.147 4.320 0.000 0.000 0.219 717 A C 2.148 179.642 177.584 -0.149 0.000 1.176 717 A CA 1.279 53.142 52.037 -0.291 0.000 0.631 717 A CB -0.435 18.462 19.000 -0.172 0.000 0.814 717 A HN 0.385 nan 8.150 nan 0.000 0.446 718 Q N -0.517 119.203 119.800 -0.134 0.000 2.137 718 Q HA -0.002 4.338 4.340 0.000 0.000 0.198 718 Q C 2.184 178.134 176.000 -0.082 0.000 0.960 718 Q CA 1.062 56.837 55.803 -0.047 0.000 0.847 718 Q CB -0.379 28.412 28.738 0.089 0.000 0.915 718 Q HN 0.776 nan 8.270 nan 0.000 0.448 719 I N 1.417 121.911 120.570 -0.127 0.000 2.127 719 I HA -0.325 3.845 4.170 0.000 0.000 0.241 719 I C 2.624 178.574 176.117 -0.278 0.000 1.075 719 I CA 1.700 62.877 61.300 -0.205 0.000 1.334 719 I CB -0.502 37.378 38.000 -0.199 0.000 1.040 719 I HN 0.204 nan 8.210 nan 0.000 0.405 720 S N 0.700 116.265 115.700 -0.225 0.000 2.368 720 S HA -0.260 4.210 4.470 0.000 0.000 0.225 720 S C 2.043 176.613 174.600 -0.051 0.000 1.030 720 S CA 1.359 59.455 58.200 -0.173 0.000 0.999 720 S CB -0.425 62.829 63.200 0.090 0.000 0.844 720 S HN 0.350 nan 8.310 nan 0.000 0.459 721 K N 1.660 122.038 120.400 -0.037 0.000 2.063 721 K HA -0.012 4.308 4.320 0.000 0.000 0.208 721 K C 2.294 178.876 176.600 -0.030 0.000 1.048 721 K CA 1.272 57.554 56.287 -0.008 0.000 0.928 721 K CB -0.704 31.790 32.500 -0.010 0.000 0.713 721 K HN 0.477 nan 8.250 nan 0.000 0.442 722 A N 0.782 123.554 122.820 -0.080 0.000 1.933 722 A HA -0.107 4.213 4.320 0.000 0.000 0.218 722 A C 2.062 179.579 177.584 -0.112 0.000 1.175 722 A CA 1.236 53.218 52.037 -0.092 0.000 0.628 722 A CB -0.512 18.417 19.000 -0.119 0.000 0.814 722 A HN 0.313 nan 8.150 nan 0.000 0.444 723 L N -0.707 120.401 121.223 -0.191 0.000 2.109 723 L HA -0.124 4.216 4.340 0.000 0.000 0.207 723 L C 2.514 179.407 176.870 0.037 0.000 1.086 723 L CA 0.820 55.550 54.840 -0.185 0.000 0.760 723 L CB -0.524 41.212 42.059 -0.538 0.000 0.910 723 L HN 0.240 nan 8.230 nan 0.000 0.437 724 V N -0.144 119.832 119.914 0.104 0.000 2.261 724 V HA -0.306 3.814 4.120 0.000 0.000 0.246 724 V C 2.030 178.165 176.094 0.068 0.000 1.047 724 V CA 1.978 64.357 62.300 0.132 0.000 1.015 724 V CB -0.536 31.363 31.823 0.126 0.000 0.642 724 V HN 0.425 nan 8.190 nan 0.000 0.446 725 D N -0.390 120.031 120.400 0.035 0.000 2.265 725 D HA -0.117 4.523 4.640 0.000 0.000 0.208 725 D C 1.822 178.136 176.300 0.023 0.000 0.977 725 D CA 1.006 55.020 54.000 0.023 0.000 0.871 725 D CB -0.016 40.789 40.800 0.008 0.000 0.925 725 D HN 0.350 nan 8.370 nan 0.000 0.485 726 V N -0.756 119.172 119.914 0.025 0.000 3.644 726 V HA 0.201 4.321 4.120 0.000 0.000 0.267 726 V C 1.180 177.304 176.094 0.049 0.000 1.277 726 V CA 0.748 63.065 62.300 0.029 0.000 1.096 726 V CB 0.332 32.164 31.823 0.015 0.000 0.828 726 V HN 0.349 nan 8.190 nan 0.000 0.446 727 G N 0.981 109.821 108.800 0.066 0.000 2.291 727 G HA2 -0.179 3.781 3.960 0.000 0.000 0.271 727 G HA3 -0.179 3.781 3.960 0.000 0.000 0.271 727 G C -0.178 174.786 174.900 0.107 0.000 1.099 727 G CA 0.236 45.384 45.100 0.080 0.000 0.919 727 G HN 0.400 nan 8.290 nan 0.000 0.496 728 V N 0.559 120.563 119.914 0.150 0.000 2.378 728 V HA 0.442 4.562 4.120 0.000 0.000 0.288 728 V C 0.280 176.574 176.094 0.333 0.000 1.016 728 V CA -0.716 61.705 62.300 0.201 0.000 0.840 728 V CB 1.740 33.664 31.823 0.168 0.000 0.994 728 V HN 0.459 nan 8.190 nan 0.000 0.431 729 D N 4.203 124.760 120.400 0.262 0.000 2.341 729 D HA 0.584 5.224 4.640 0.000 0.000 0.245 729 D C -0.540 175.995 176.300 0.392 0.000 1.106 729 D CA 0.439 54.575 54.000 0.227 0.000 0.905 729 D CB 0.686 41.553 40.800 0.112 0.000 1.202 729 D HN 0.375 nan 8.370 nan 0.000 0.426 730 F N -0.618 119.413 119.950 0.134 0.000 2.858 730 F HA 0.419 4.946 4.527 0.000 0.000 0.319 730 F C -1.682 174.178 175.800 0.100 0.000 1.166 730 F CA -1.136 56.969 58.000 0.176 0.000 0.899 730 F CB 0.715 39.858 39.000 0.238 0.000 1.332 730 F HN 0.122 nan 8.300 nan 0.000 0.461 731 Q N 1.347 121.235 119.800 0.146 0.000 2.306 731 Q HA 0.831 5.171 4.340 0.000 0.000 0.265 731 Q C -0.963 175.040 176.000 0.005 0.000 1.022 731 Q CA -0.987 54.803 55.803 -0.022 0.000 0.853 731 Q CB 2.452 31.217 28.738 0.044 0.000 1.327 731 Q HN 1.041 nan 8.270 nan 0.000 0.449 732 A N 1.665 124.455 122.820 -0.048 0.000 2.479 732 A HA 0.872 5.192 4.320 0.000 0.000 0.296 732 A C -1.245 176.295 177.584 -0.072 0.000 1.121 732 A CA -0.594 51.445 52.037 0.003 0.000 0.743 732 A CB 1.987 21.041 19.000 0.091 0.000 1.323 732 A HN 0.634 nan 8.150 nan 0.000 0.415 733 M N 1.226 120.773 119.600 -0.089 0.000 2.296 733 M HA 0.510 4.990 4.480 0.000 0.000 0.268 733 M C -2.029 174.181 176.300 -0.150 0.000 1.048 733 M CA -0.581 54.535 55.300 -0.306 0.000 0.966 733 M CB 1.078 33.418 32.600 -0.433 0.000 1.912 733 M HN 0.938 nan 8.290 nan 0.000 0.484 734 W N 4.745 125.919 121.300 -0.211 0.000 2.449 734 W HA 0.762 5.422 4.660 -0.000 0.000 0.331 734 W C -1.969 174.322 176.519 -0.380 0.000 1.119 734 W CA -0.755 56.547 57.345 -0.072 0.000 1.240 734 W CB 0.328 29.798 29.460 0.016 0.000 1.251 734 W HN 0.617 nan 8.180 nan 0.000 0.576 735 Y N 2.891 123.321 120.300 0.217 0.000 2.402 735 Y HA 0.289 4.839 4.550 0.000 0.000 0.332 735 Y C 0.614 176.638 175.900 0.208 0.000 0.960 735 Y CA -1.036 57.117 58.100 0.088 0.000 1.228 735 Y CB 1.135 39.612 38.460 0.027 0.000 1.120 735 Y HN 0.421 nan 8.280 nan 0.000 0.491 736 T N 4.629 119.374 114.554 0.317 0.000 2.822 736 T HA -0.048 4.302 4.350 0.000 0.000 0.288 736 T C 0.188 174.963 174.700 0.126 0.000 0.991 736 T CA 0.600 62.819 62.100 0.199 0.000 1.176 736 T CB -0.146 68.777 68.868 0.091 0.000 0.951 736 T HN 0.709 nan 8.240 nan 0.000 0.526 737 D N 0.730 121.179 120.400 0.082 0.000 3.076 737 D HA -0.122 4.518 4.640 0.000 0.000 0.218 737 D C 0.231 176.660 176.300 0.215 0.000 1.156 737 D CA 1.080 55.071 54.000 -0.015 0.000 0.921 737 D CB -0.405 40.151 40.800 -0.407 0.000 1.113 737 D HN 0.555 nan 8.370 nan 0.000 0.418 738 E N 0.787 121.133 120.200 0.244 0.000 2.277 738 E HA 0.368 4.718 4.350 0.000 0.000 0.274 738 E C 0.787 177.569 176.600 0.303 0.000 1.022 738 E CA -0.336 56.225 56.400 0.270 0.000 0.853 738 E CB 1.398 31.249 29.700 0.251 0.000 1.086 738 E HN 0.311 nan 8.360 nan 0.000 0.397 739 D N -0.484 120.103 120.400 0.313 0.000 2.538 739 D HA 0.020 4.660 4.640 0.000 0.000 0.262 739 D C 1.058 177.580 176.300 0.370 0.000 1.186 739 D CA -0.125 54.081 54.000 0.342 0.000 1.090 739 D CB -0.234 40.789 40.800 0.373 0.000 1.187 739 D HN 0.403 nan 8.370 nan 0.000 0.614 740 H N -1.523 117.716 119.070 0.281 0.000 2.423 740 H HA 0.166 4.722 4.556 0.000 0.000 0.297 740 H C 1.937 177.493 175.328 0.380 0.000 1.075 740 H CA 2.145 58.377 56.048 0.306 0.000 1.342 740 H CB -0.381 29.542 29.762 0.268 0.000 1.395 740 H HN 0.477 nan 8.280 nan 0.000 0.530 741 G N -0.169 108.785 108.800 0.256 0.000 2.572 741 G HA2 -0.035 3.925 3.960 0.000 0.000 0.216 741 G HA3 -0.035 3.925 3.960 0.000 0.000 0.216 741 G C 0.565 175.617 174.900 0.255 0.000 1.133 741 G CA 0.325 45.490 45.100 0.110 0.000 0.791 741 G HN 0.498 nan 8.290 nan 0.000 0.538 742 I N 0.078 120.839 120.570 0.318 0.000 5.026 742 I HA -0.316 3.854 4.170 0.000 0.000 0.126 742 I C 1.435 177.679 176.117 0.212 0.000 1.267 742 I CA 0.188 61.635 61.300 0.245 0.000 2.647 742 I CB -0.921 37.191 38.000 0.187 0.000 2.149 742 I HN 0.237 nan 8.210 nan 0.000 0.322 743 A N 1.825 124.738 122.820 0.154 0.000 2.419 743 A HA 0.309 4.629 4.320 0.000 0.000 0.233 743 A C 1.113 178.737 177.584 0.067 0.000 1.217 743 A CA 0.540 52.632 52.037 0.091 0.000 0.944 743 A CB 0.261 19.285 19.000 0.040 0.000 1.025 743 A HN 0.648 nan 8.150 nan 0.000 0.524 744 S N -0.102 115.657 115.700 0.098 0.000 2.566 744 S HA 0.115 4.585 4.470 0.000 0.000 0.280 744 S C 1.159 175.813 174.600 0.090 0.000 1.343 744 S CA 0.446 58.698 58.200 0.087 0.000 1.036 744 S CB 1.011 64.272 63.200 0.101 0.000 0.866 744 S HN 0.421 nan 8.310 nan 0.000 0.526 745 S N 1.803 117.543 115.700 0.067 0.000 2.359 745 S HA -0.158 4.312 4.470 0.000 0.000 0.224 745 S C 2.109 176.771 174.600 0.103 0.000 1.035 745 S CA 2.064 60.306 58.200 0.070 0.000 1.018 745 S CB -1.405 61.818 63.200 0.038 0.000 0.876 745 S HN 1.027 nan 8.310 nan 0.000 0.448 746 T N -0.203 114.401 114.554 0.084 0.000 2.812 746 T HA 0.203 4.553 4.350 0.000 0.000 0.264 746 T C 1.982 176.742 174.700 0.099 0.000 1.042 746 T CA 1.176 63.327 62.100 0.085 0.000 1.140 746 T CB -0.874 68.036 68.868 0.070 0.000 0.870 746 T HN 0.403 nan 8.240 nan 0.000 0.445 747 A N 1.723 124.585 122.820 0.070 0.000 1.877 747 A HA -0.133 4.187 4.320 0.000 0.000 0.216 747 A C 2.208 179.755 177.584 -0.061 0.000 1.186 747 A CA 2.181 54.198 52.037 -0.034 0.000 0.620 747 A CB -1.371 17.583 19.000 -0.076 0.000 0.822 747 A HN 0.767 nan 8.150 nan 0.000 0.443 748 H N -0.154 118.907 119.070 -0.016 0.000 2.289 748 H HA -0.190 4.366 4.556 0.000 0.000 0.296 748 H C 2.127 177.529 175.328 0.124 0.000 1.091 748 H CA 2.475 58.572 56.048 0.081 0.000 1.274 748 H CB -0.300 29.506 29.762 0.073 0.000 1.364 748 H HN 0.592 nan 8.280 nan 0.000 0.490 749 Q N -1.324 118.461 119.800 -0.026 0.000 2.084 749 Q HA -0.213 4.127 4.340 0.000 0.000 0.202 749 Q C 2.241 178.222 176.000 -0.032 0.000 0.978 749 Q CA 1.699 57.453 55.803 -0.082 0.000 0.844 749 Q CB -0.217 28.516 28.738 -0.009 0.000 0.898 749 Q HN 0.670 nan 8.270 nan 0.000 0.426 750 H N 0.476 119.518 119.070 -0.047 0.000 2.293 750 H HA -0.089 4.467 4.556 0.000 0.000 0.300 750 H C 1.940 177.267 175.328 -0.002 0.000 1.082 750 H CA 1.769 57.824 56.048 0.012 0.000 1.308 750 H CB -0.044 29.782 29.762 0.106 0.000 1.375 750 H HN 0.227 nan 8.280 nan 0.000 0.495 751 I N -0.399 120.165 120.570 -0.010 0.000 2.226 751 I HA -0.331 3.839 4.170 0.000 0.000 0.245 751 I C 1.348 177.248 176.117 -0.363 0.000 1.100 751 I CA 1.407 62.606 61.300 -0.168 0.000 1.374 751 I CB -0.146 37.559 38.000 -0.491 0.000 1.057 751 I HN 0.338 nan 8.210 nan 0.000 0.413 752 Y N 0.931 121.023 120.300 -0.346 0.000 2.293 752 Y HA -0.198 4.352 4.550 0.000 0.000 0.291 752 Y C 2.696 178.398 175.900 -0.330 0.000 1.137 752 Y CA 1.813 59.603 58.100 -0.516 0.000 1.202 752 Y CB -0.820 37.330 38.460 -0.518 0.000 0.990 752 Y HN 0.168 nan 8.280 nan 0.000 0.537 753 T N -1.679 112.799 114.554 -0.127 0.000 2.737 753 T HA -0.225 4.125 4.350 0.000 0.000 0.265 753 T C 1.569 176.151 174.700 -0.196 0.000 1.038 753 T CA 1.844 63.828 62.100 -0.194 0.000 1.144 753 T CB -0.503 68.251 68.868 -0.190 0.000 0.866 753 T HN 0.385 nan 8.240 nan 0.000 0.434 754 H N 0.981 119.931 119.070 -0.200 0.000 2.319 754 H HA 0.066 4.622 4.556 0.000 0.000 0.299 754 H C 2.188 177.508 175.328 -0.014 0.000 1.092 754 H CA 1.649 57.659 56.048 -0.064 0.000 1.302 754 H CB -0.297 29.430 29.762 -0.058 0.000 1.373 754 H HN 0.247 nan 8.280 nan 0.000 0.497 755 M N -0.851 118.691 119.600 -0.096 0.000 2.159 755 M HA -0.166 4.314 4.480 0.000 0.000 0.263 755 M C 2.426 178.838 176.300 0.188 0.000 1.063 755 M CA 1.521 56.762 55.300 -0.097 0.000 1.110 755 M CB -0.032 32.271 32.600 -0.494 0.000 1.374 755 M HN 0.215 nan 8.290 nan 0.000 0.411 756 S N -0.556 115.279 115.700 0.225 0.000 2.356 756 S HA -0.163 4.307 4.470 0.000 0.000 0.223 756 S C 1.678 176.373 174.600 0.158 0.000 1.032 756 S CA 1.058 59.464 58.200 0.343 0.000 1.005 756 S CB -0.647 62.739 63.200 0.309 0.000 0.867 756 S HN 0.459 nan 8.310 nan 0.000 0.449 757 H N 0.093 119.227 119.070 0.107 0.000 2.319 757 H HA -0.104 4.452 4.556 0.000 0.000 0.297 757 H C 1.975 177.314 175.328 0.019 0.000 1.097 757 H CA 1.530 57.597 56.048 0.033 0.000 1.285 757 H CB -0.847 28.889 29.762 -0.043 0.000 1.368 757 H HN 0.465 nan 8.280 nan 0.000 0.495 758 F N 0.922 120.870 119.950 -0.004 0.000 2.171 758 F HA -0.126 4.401 4.527 -0.000 0.000 0.300 758 F C 2.471 178.231 175.800 -0.067 0.000 1.090 758 F CA 0.947 58.910 58.000 -0.062 0.000 1.293 758 F CB -0.350 38.586 39.000 -0.107 0.000 1.013 758 F HN -0.008 nan 8.300 nan 0.000 0.486 759 I N 0.098 120.698 120.570 0.049 0.000 2.286 759 I HA -0.251 3.919 4.170 0.000 0.000 0.245 759 I C 2.264 178.208 176.117 -0.288 0.000 1.104 759 I CA 1.005 62.178 61.300 -0.213 0.000 1.397 759 I CB -0.438 37.498 38.000 -0.108 0.000 1.072 759 I HN 0.071 nan 8.210 nan 0.000 0.417 760 K N 0.863 121.228 120.400 -0.059 0.000 2.026 760 K HA -0.253 4.067 4.320 0.000 0.000 0.208 760 K C 2.074 178.667 176.600 -0.012 0.000 1.048 760 K CA 1.828 58.128 56.287 0.022 0.000 0.929 760 K CB -0.406 32.152 32.500 0.098 0.000 0.713 760 K HN 0.384 nan 8.250 nan 0.000 0.439 761 Q N 1.119 120.878 119.800 -0.068 0.000 2.124 761 Q HA -0.151 4.190 4.340 0.000 0.000 0.202 761 Q C 2.193 178.102 176.000 -0.151 0.000 0.977 761 Q CA 1.825 57.570 55.803 -0.098 0.000 0.850 761 Q CB -1.165 27.505 28.738 -0.113 0.000 0.901 761 Q HN 0.308 nan 8.270 nan 0.000 0.429 762 c N -0.417 118.001 118.600 -0.304 0.000 2.446 762 c HA 0.028 4.598 4.570 0.000 0.000 0.277 762 c C 1.543 175.643 174.090 0.017 0.000 1.275 762 c CA 0.299 56.456 56.329 -0.286 0.000 1.727 762 c CB -1.115 41.071 42.510 -0.539 0.000 2.010 762 c HN 0.615 nan 8.230 nan 0.000 0.486 763 F N 1.937 121.858 119.950 -0.049 0.000 2.692 763 F HA 0.230 4.757 4.527 0.000 0.000 0.303 763 F C 1.578 177.368 175.800 -0.017 0.000 1.114 763 F CA 0.226 58.216 58.000 -0.017 0.000 1.361 763 F CB -1.354 37.646 39.000 -0.001 0.000 1.063 763 F HN 0.175 nan 8.300 nan 0.000 0.550 764 S N 0.976 116.759 115.700 0.138 0.000 3.559 764 S HA -0.219 4.251 4.470 0.000 0.000 0.369 764 S C 0.073 174.719 174.600 0.077 0.000 0.987 764 S CA 0.166 58.411 58.200 0.074 0.000 1.187 764 S CB -2.026 61.205 63.200 0.053 0.000 0.914 764 S HN 0.254 nan 8.310 nan 0.000 0.480 765 L N 0.906 122.187 121.223 0.097 0.000 2.309 765 L HA 0.487 4.827 4.340 0.000 0.000 0.282 765 L C -1.483 175.430 176.870 0.071 0.000 1.036 765 L CA -2.208 52.684 54.840 0.087 0.000 0.806 765 L CB 0.623 42.752 42.059 0.117 0.000 1.220 765 L HN 0.041 nan 8.230 nan 0.000 0.429 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.134 63.100 0.057 0.000 0.800 766 P CB 0.000 31.727 31.700 0.045 0.000 0.726