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 3hac_1_B DATA FIRST_RESID 39 DATA SEQUENCE TRKTYTLTDY 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 T HA 0.000 nan 4.350 nan 0.000 0.228 39 T C 0.000 174.739 174.700 0.065 0.000 1.109 39 T CA 0.000 62.131 62.100 0.051 0.000 1.349 39 T CB 0.000 68.895 68.868 0.045 0.000 0.612 40 R N 2.495 123.040 120.500 0.076 0.000 2.638 40 R HA 0.167 4.505 4.340 -0.004 0.000 0.268 40 R C 1.077 177.432 176.300 0.092 0.000 1.006 40 R CA -0.218 55.931 56.100 0.082 0.000 1.088 40 R CB 0.637 30.985 30.300 0.080 0.000 0.950 40 R HN 0.631 nan 8.270 nan 0.000 0.419 41 K N 0.745 121.203 120.400 0.098 0.000 2.286 41 K HA 0.049 4.367 4.320 -0.004 0.000 0.256 41 K C 0.111 176.784 176.600 0.122 0.000 0.999 41 K CA -0.208 56.146 56.287 0.111 0.000 0.908 41 K CB 0.354 32.929 32.500 0.126 0.000 0.981 41 K HN 0.660 nan 8.250 nan 0.000 0.500 42 T N -2.081 112.555 114.554 0.137 0.000 2.923 42 T HA 0.163 4.511 4.350 -0.004 0.000 0.281 42 T C -0.714 174.119 174.700 0.222 0.000 0.995 42 T CA -0.809 61.386 62.100 0.158 0.000 0.985 42 T CB 0.546 69.504 68.868 0.149 0.000 1.114 42 T HN 0.546 nan 8.240 nan 0.000 0.548 43 Y N 2.320 122.690 120.300 0.116 0.000 2.504 43 Y HA 0.402 4.950 4.550 -0.004 0.000 0.351 43 Y C 0.844 176.904 175.900 0.266 0.000 0.988 43 Y CA -0.373 57.832 58.100 0.176 0.000 1.239 43 Y CB -0.043 38.477 38.460 0.101 0.000 1.128 43 Y HN 1.024 nan 8.280 nan 0.000 0.525 44 T N 2.343 116.893 114.554 -0.007 0.000 2.897 44 T HA 0.161 4.508 4.350 -0.004 0.000 0.278 44 T C 0.901 175.480 174.700 -0.201 0.000 0.981 44 T CA -0.756 61.380 62.100 0.061 0.000 0.973 44 T CB 1.290 70.165 68.868 0.010 0.000 1.092 44 T HN 0.676 nan 8.240 nan 0.000 0.543 45 L N 1.047 121.958 121.223 -0.520 0.000 2.046 45 L HA 0.018 4.355 4.340 -0.004 0.000 0.208 45 L C 2.613 179.321 176.870 -0.270 0.000 1.077 45 L CA 2.217 56.641 54.840 -0.693 0.000 0.747 45 L CB -1.486 40.038 42.059 -0.891 0.000 0.896 45 L HN 0.963 nan 8.230 nan 0.000 0.432 46 T N -0.711 113.716 114.554 -0.212 0.000 2.788 46 T HA -0.164 4.183 4.350 -0.004 0.000 0.268 46 T C 1.503 176.105 174.700 -0.163 0.000 1.044 46 T CA 1.343 63.353 62.100 -0.150 0.000 1.139 46 T CB -0.452 68.351 68.868 -0.107 0.000 0.867 46 T HN 0.385 nan 8.240 nan 0.000 0.454 47 D N 0.336 120.604 120.400 -0.221 0.000 2.106 47 D HA -0.117 4.521 4.640 -0.004 0.000 0.191 47 D C 1.764 177.947 176.300 -0.196 0.000 0.997 47 D CA 1.207 55.035 54.000 -0.287 0.000 0.834 47 D CB -0.490 40.012 40.800 -0.495 0.000 0.956 47 D HN 0.422 nan 8.370 nan 0.000 0.448 48 Y N 1.432 121.530 120.300 -0.337 0.000 2.145 48 Y HA -0.129 4.419 4.550 -0.004 0.000 0.286 48 Y C 2.217 178.125 175.900 0.013 0.000 1.145 48 Y CA 1.296 59.388 58.100 -0.013 0.000 1.148 48 Y CB -0.613 37.911 38.460 0.106 0.000 0.981 48 Y HN -0.072 nan 8.280 nan 0.000 0.507 49 L N -0.186 120.873 121.223 -0.274 0.000 2.217 49 L HA -0.137 4.200 4.340 -0.004 0.000 0.211 49 L C 1.867 178.632 176.870 -0.175 0.000 1.107 49 L CA 1.132 55.787 54.840 -0.308 0.000 0.783 49 L CB -0.396 41.547 42.059 -0.192 0.000 0.919 49 L HN 0.050 nan 8.230 nan 0.000 0.442 50 K N -0.676 119.644 120.400 -0.134 0.000 2.374 50 K HA 0.101 4.419 4.320 -0.004 0.000 0.196 50 K C 0.338 176.887 176.600 -0.084 0.000 1.023 50 K CA -0.100 56.128 56.287 -0.098 0.000 1.103 50 K CB -0.119 32.324 32.500 -0.095 0.000 0.848 50 K HN 0.129 nan 8.250 nan 0.000 0.528 51 N N 1.513 120.174 118.700 -0.066 0.000 2.738 51 N HA -0.182 4.556 4.740 -0.004 0.000 0.249 51 N C 0.748 176.241 175.510 -0.028 0.000 1.047 51 N CA 1.072 54.121 53.050 -0.001 0.000 0.707 51 N CB -0.826 37.655 38.487 -0.011 0.000 0.937 51 N HN 0.376 nan 8.380 nan 0.000 0.545 52 T N -2.081 112.404 114.554 -0.115 0.000 2.951 52 T HA -0.084 4.264 4.350 -0.004 0.000 0.268 52 T C 0.426 174.919 174.700 -0.345 0.000 1.073 52 T CA 1.115 63.043 62.100 -0.285 0.000 1.134 52 T CB -0.065 68.537 68.868 -0.443 0.000 0.884 52 T HN 0.300 nan 8.240 nan 0.000 0.479 53 Y N 1.828 122.216 120.300 0.146 0.000 2.587 53 Y HA 0.558 5.106 4.550 -0.004 0.000 0.328 53 Y C 0.358 176.365 175.900 0.177 0.000 0.980 53 Y CA -1.265 56.946 58.100 0.185 0.000 1.272 53 Y CB 0.553 39.186 38.460 0.288 0.000 1.094 53 Y HN 0.013 nan 8.280 nan 0.000 0.503 54 R N 3.378 124.016 120.500 0.231 0.000 2.294 54 R HA 0.524 4.862 4.340 -0.004 0.000 0.319 54 R C -0.968 175.433 176.300 0.168 0.000 0.984 54 R CA -0.686 55.516 56.100 0.170 0.000 0.861 54 R CB 0.754 31.112 30.300 0.097 0.000 1.104 54 R HN 0.672 nan 8.270 nan 0.000 0.451 55 L N 4.844 126.171 121.223 0.173 0.000 2.410 55 L HA 0.175 4.513 4.340 -0.004 0.000 0.273 55 L C 0.418 177.360 176.870 0.120 0.000 1.144 55 L CA 0.313 55.249 54.840 0.161 0.000 0.863 55 L CB 0.586 42.759 42.059 0.190 0.000 1.140 55 L HN 0.448 nan 8.230 nan 0.000 0.463 56 K N 3.373 123.838 120.400 0.107 0.000 2.174 56 K HA 0.487 4.804 4.320 -0.004 0.000 0.275 56 K C -0.705 175.919 176.600 0.040 0.000 1.015 56 K CA -0.742 55.584 56.287 0.066 0.000 0.933 56 K CB 1.323 33.859 32.500 0.060 0.000 1.025 56 K HN 0.231 nan 8.250 nan 0.000 0.463 57 L N 1.628 122.808 121.223 -0.071 0.000 2.347 57 L HA 0.392 4.730 4.340 -0.004 0.000 0.268 57 L C -0.839 175.749 176.870 -0.470 0.000 1.019 57 L CA -0.548 54.114 54.840 -0.297 0.000 0.806 57 L CB 0.390 42.381 42.059 -0.113 0.000 1.339 57 L HN 0.477 nan 8.230 nan 0.000 0.463 58 Y N 0.022 119.765 120.300 -0.929 0.000 2.563 58 Y HA 0.414 4.962 4.550 -0.004 0.000 0.351 58 Y C -0.674 175.081 175.900 -0.240 0.000 1.087 58 Y CA -0.481 57.321 58.100 -0.498 0.000 1.272 58 Y CB 1.046 39.108 38.460 -0.664 0.000 1.095 58 Y HN 0.473 nan 8.280 nan 0.000 0.620 59 S N 6.058 121.694 115.700 -0.108 0.000 2.400 59 S HA 0.491 4.959 4.470 -0.004 0.000 0.295 59 S C -0.585 173.994 174.600 -0.035 0.000 1.113 59 S CA -0.555 57.616 58.200 -0.049 0.000 1.064 59 S CB -0.215 62.951 63.200 -0.056 0.000 0.990 59 S HN 0.561 nan 8.310 nan 0.000 0.502 60 L N 1.496 122.673 121.223 -0.077 0.000 2.313 60 L HA 0.770 5.107 4.340 -0.004 0.000 0.268 60 L C -0.205 176.588 176.870 -0.129 0.000 1.010 60 L CA -0.847 53.913 54.840 -0.134 0.000 0.814 60 L CB 0.790 42.492 42.059 -0.596 0.000 1.304 60 L HN 0.323 nan 8.230 nan 0.000 0.441 61 R N 1.021 121.482 120.500 -0.066 0.000 2.435 61 R HA 0.324 4.661 4.340 -0.004 0.000 0.308 61 R C -1.719 174.600 176.300 0.031 0.000 0.975 61 R CA -0.302 55.799 56.100 0.002 0.000 0.867 61 R CB 1.050 31.382 30.300 0.052 0.000 1.171 61 R HN 0.691 nan 8.270 nan 0.000 0.470 62 W N 4.209 125.603 121.300 0.157 0.000 2.308 62 W HA 0.091 4.749 4.660 -0.004 0.000 0.324 62 W C 1.607 178.193 176.519 0.110 0.000 1.387 62 W CA -0.376 57.068 57.345 0.165 0.000 1.250 62 W CB 0.403 29.961 29.460 0.164 0.000 1.257 62 W HN 0.665 nan 8.180 nan 0.000 0.554 63 I N 0.486 121.243 120.570 0.310 0.000 4.070 63 I HA 0.286 4.454 4.170 -0.004 0.000 0.328 63 I C 0.741 176.949 176.117 0.152 0.000 1.298 63 I CA -0.023 61.370 61.300 0.156 0.000 1.173 63 I CB -0.059 37.950 38.000 0.016 0.000 1.051 63 I HN 0.235 nan 8.210 nan 0.000 0.409 64 S N 0.289 116.123 115.700 0.222 0.000 2.800 64 S HA 0.198 4.665 4.470 -0.004 0.000 0.293 64 S C 0.083 174.814 174.600 0.219 0.000 1.209 64 S CA -0.029 58.270 58.200 0.165 0.000 0.884 64 S CB 0.594 63.824 63.200 0.050 0.000 1.244 64 S HN 0.317 nan 8.310 nan 0.000 0.540 65 D N 0.396 120.927 120.400 0.218 0.000 2.348 65 D HA -0.104 4.534 4.640 -0.004 0.000 0.216 65 D C 1.044 177.595 176.300 0.419 0.000 0.970 65 D CA 1.418 55.557 54.000 0.233 0.000 0.889 65 D CB -0.502 40.442 40.800 0.241 0.000 0.912 65 D HN 0.863 nan 8.370 nan 0.000 0.524 66 H N -1.734 117.535 119.070 0.333 0.000 3.480 66 H HA 0.412 4.965 4.556 -0.004 0.000 0.257 66 H C -0.509 175.009 175.328 0.317 0.000 1.196 66 H CA -0.428 55.835 56.048 0.358 0.000 1.100 66 H CB 0.171 30.130 29.762 0.328 0.000 1.683 66 H HN -0.002 nan 8.280 nan 0.000 0.702 67 E N 1.191 121.465 120.200 0.124 0.000 2.266 67 E HA 0.388 4.736 4.350 -0.004 0.000 0.268 67 E C -1.515 175.227 176.600 0.237 0.000 0.879 67 E CA -1.170 55.264 56.400 0.058 0.000 0.762 67 E CB 2.952 32.562 29.700 -0.150 0.000 1.199 67 E HN 0.318 nan 8.360 nan 0.000 0.422 68 Y N -0.111 120.161 120.300 -0.047 0.000 2.576 68 Y HA 0.640 5.188 4.550 -0.004 0.000 0.346 68 Y C -1.422 174.436 175.900 -0.071 0.000 1.018 68 Y CA -1.313 56.661 58.100 -0.210 0.000 1.050 68 Y CB 0.880 38.874 38.460 -0.776 0.000 1.280 68 Y HN 0.304 nan 8.280 nan 0.000 0.474 69 L N 3.281 124.581 121.223 0.127 0.000 2.325 69 L HA 0.459 4.797 4.340 -0.004 0.000 0.279 69 L C -1.297 175.760 176.870 0.312 0.000 1.054 69 L CA -0.915 53.993 54.840 0.113 0.000 0.804 69 L CB 1.384 43.444 42.059 0.002 0.000 1.200 69 L HN 0.767 nan 8.230 nan 0.000 0.436 70 Y N 2.674 123.066 120.300 0.154 0.000 2.421 70 Y HA 0.311 4.859 4.550 -0.004 0.000 0.339 70 Y C -0.533 175.399 175.900 0.054 0.000 0.996 70 Y CA -1.200 56.945 58.100 0.074 0.000 1.046 70 Y CB 1.722 40.225 38.460 0.073 0.000 1.226 70 Y HN 0.435 nan 8.280 nan 0.000 0.445 71 K N 4.985 125.028 120.400 -0.595 0.000 2.276 71 K HA 0.308 4.625 4.320 -0.004 0.000 0.285 71 K C -1.090 175.149 176.600 -0.602 0.000 1.062 71 K CA -0.286 55.738 56.287 -0.438 0.000 0.918 71 K CB 0.599 32.928 32.500 -0.286 0.000 1.055 71 K HN 0.822 nan 8.250 nan 0.000 0.477 72 Q N 3.927 123.592 119.800 -0.225 0.000 2.275 72 Q HA 0.112 4.449 4.340 -0.004 0.000 0.266 72 Q C -1.211 174.763 176.000 -0.044 0.000 1.002 72 Q CA -0.245 55.506 55.803 -0.086 0.000 0.761 72 Q CB 1.156 29.975 28.738 0.135 0.000 1.255 72 Q HN 0.776 nan 8.270 nan 0.000 0.446 73 E N 3.068 123.239 120.200 -0.049 0.000 2.513 73 E HA -0.348 4.000 4.350 -0.004 0.000 0.257 73 E C -0.393 176.178 176.600 -0.049 0.000 1.098 73 E CA 0.804 57.182 56.400 -0.036 0.000 0.752 73 E CB -1.650 28.041 29.700 -0.015 0.000 1.324 73 E HN 1.067 nan 8.360 nan 0.000 0.403 74 N N -1.628 117.031 118.700 -0.069 0.000 2.900 74 N HA -0.214 4.523 4.740 -0.004 0.000 0.240 74 N C -0.265 175.201 175.510 -0.072 0.000 0.953 74 N CA 1.079 54.089 53.050 -0.067 0.000 0.950 74 N CB -0.674 37.784 38.487 -0.049 0.000 1.102 74 N HN 0.397 nan 8.380 nan 0.000 0.593 75 N N 0.958 119.617 118.700 -0.068 0.000 2.513 75 N HA 0.310 5.048 4.740 -0.004 0.000 0.274 75 N C -0.261 175.205 175.510 -0.073 0.000 1.189 75 N CA 0.216 53.227 53.050 -0.066 0.000 0.975 75 N CB 1.111 39.571 38.487 -0.046 0.000 1.157 75 N HN 0.117 nan 8.380 nan 0.000 0.465 76 I N 2.476 123.007 120.570 -0.065 0.000 2.321 76 I HA 0.252 4.419 4.170 -0.004 0.000 0.291 76 I C -0.036 176.106 176.117 0.042 0.000 0.998 76 I CA -0.440 60.834 61.300 -0.043 0.000 1.227 76 I CB 0.845 38.778 38.000 -0.111 0.000 1.368 76 I HN 0.191 nan 8.210 nan 0.000 0.466 77 L N 6.745 128.006 121.223 0.064 0.000 2.334 77 L HA 0.561 4.899 4.340 -0.004 0.000 0.275 77 L C -0.244 176.637 176.870 0.019 0.000 1.036 77 L CA -0.918 53.938 54.840 0.026 0.000 0.807 77 L CB 1.993 44.059 42.059 0.012 0.000 1.231 77 L HN 0.307 nan 8.230 nan 0.000 0.438 78 V N 3.010 122.870 119.914 -0.090 0.000 2.398 78 V HA 0.461 4.579 4.120 -0.004 0.000 0.286 78 V C -0.808 175.089 176.094 -0.329 0.000 1.026 78 V CA -0.189 62.032 62.300 -0.132 0.000 0.868 78 V CB 1.214 33.026 31.823 -0.019 0.000 0.982 78 V HN 0.444 nan 8.190 nan 0.000 0.443 79 F N 5.449 125.119 119.950 -0.467 0.000 2.450 79 F HA 0.467 4.992 4.527 -0.004 0.000 0.332 79 F C 0.606 176.134 175.800 -0.453 0.000 1.093 79 F CA -0.439 57.213 58.000 -0.579 0.000 1.003 79 F CB 1.519 39.809 39.000 -1.182 0.000 1.151 79 F HN 0.488 nan 8.300 nan 0.000 0.474 80 N N 2.354 121.016 118.700 -0.063 0.000 2.408 80 N HA 0.190 4.927 4.740 -0.004 0.000 0.257 80 N C 0.562 176.071 175.510 -0.002 0.000 1.064 80 N CA 0.145 53.208 53.050 0.021 0.000 0.952 80 N CB 1.648 40.211 38.487 0.126 0.000 1.093 80 N HN 0.833 nan 8.380 nan 0.000 0.490 81 A N 4.132 126.916 122.820 -0.060 0.000 1.908 81 A HA -0.195 4.123 4.320 -0.004 0.000 0.218 81 A C 1.916 179.272 177.584 -0.380 0.000 1.181 81 A CA 1.631 53.538 52.037 -0.218 0.000 0.627 81 A CB -0.542 18.160 19.000 -0.497 0.000 0.818 81 A HN 0.879 nan 8.150 nan 0.000 0.445 82 E N -1.665 118.280 120.200 -0.426 0.000 2.058 82 E HA -0.213 4.134 4.350 -0.004 0.000 0.194 82 E C 1.440 177.754 176.600 -0.477 0.000 0.997 82 E CA 1.755 57.882 56.400 -0.455 0.000 0.801 82 E CB -0.175 29.138 29.700 -0.644 0.000 0.746 82 E HN 0.817 nan 8.360 nan 0.000 0.450 83 Y N -2.291 118.022 120.300 0.021 0.000 2.444 83 Y HA 0.318 4.865 4.550 -0.004 0.000 0.252 83 Y C 1.526 177.442 175.900 0.026 0.000 1.091 83 Y CA -0.009 58.105 58.100 0.024 0.000 1.276 83 Y CB 1.477 39.953 38.460 0.026 0.000 1.170 83 Y HN 0.223 nan 8.280 nan 0.000 0.517 84 G N 1.162 110.055 108.800 0.156 0.000 2.176 84 G HA2 -0.319 3.639 3.960 -0.004 0.000 0.253 84 G HA3 -0.319 3.639 3.960 -0.004 0.000 0.253 84 G C -0.005 175.018 174.900 0.204 0.000 0.979 84 G CA 0.187 45.394 45.100 0.177 0.000 0.641 84 G HN 0.444 nan 8.290 nan 0.000 0.530 85 N N 0.735 119.507 118.700 0.121 0.000 2.482 85 N HA 0.530 5.267 4.740 -0.004 0.000 0.260 85 N C 0.095 175.507 175.510 -0.163 0.000 1.236 85 N CA 0.771 53.822 53.050 0.002 0.000 0.938 85 N CB 1.452 39.942 38.487 0.005 0.000 1.128 85 N HN 0.944 nan 8.380 nan 0.000 0.448 86 S N -0.340 115.167 115.700 -0.322 0.000 2.661 86 S HA 0.772 5.240 4.470 -0.004 0.000 0.285 86 S C -0.875 173.527 174.600 -0.330 0.000 1.138 86 S CA -0.821 57.035 58.200 -0.573 0.000 0.855 86 S CB 1.549 63.951 63.200 -1.331 0.000 1.136 86 S HN 0.652 nan 8.310 nan 0.000 0.484 87 S N -0.148 115.375 115.700 -0.295 0.000 2.618 87 S HA 0.600 5.068 4.470 -0.004 0.000 0.277 87 S C -0.984 173.539 174.600 -0.127 0.000 1.138 87 S CA -0.779 57.324 58.200 -0.163 0.000 0.844 87 S CB 1.561 64.704 63.200 -0.095 0.000 1.127 87 S HN 0.755 nan 8.310 nan 0.000 0.474 88 V N 2.761 122.625 119.914 -0.085 0.000 2.470 88 V HA 0.160 4.278 4.120 -0.004 0.000 0.276 88 V C 0.521 176.612 176.094 -0.005 0.000 1.040 88 V CA 0.262 62.532 62.300 -0.050 0.000 1.008 88 V CB -0.053 31.728 31.823 -0.070 0.000 0.990 88 V HN 0.925 nan 8.190 nan 0.000 0.477 89 F N 5.178 125.064 119.950 -0.107 0.000 2.147 89 F HA 0.296 4.821 4.527 -0.004 0.000 0.291 89 F C 0.655 176.402 175.800 -0.089 0.000 1.093 89 F CA 0.939 58.887 58.000 -0.086 0.000 1.263 89 F CB 0.515 39.473 39.000 -0.071 0.000 1.036 89 F HN 0.352 nan 8.300 nan 0.000 0.481 90 L N 1.247 122.481 121.223 0.018 0.000 2.491 90 L HA 0.264 4.601 4.340 -0.004 0.000 0.267 90 L C -0.545 176.257 176.870 -0.114 0.000 0.971 90 L CA -0.524 54.254 54.840 -0.103 0.000 0.857 90 L CB 1.168 43.209 42.059 -0.030 0.000 1.226 90 L HN -0.007 nan 8.230 nan 0.000 0.408 91 E N 1.469 121.575 120.200 -0.158 0.000 2.442 91 E HA -0.086 4.262 4.350 -0.004 0.000 0.262 91 E C 0.819 177.328 176.600 -0.153 0.000 1.004 91 E CA 0.373 56.688 56.400 -0.142 0.000 0.928 91 E CB 0.816 30.427 29.700 -0.149 0.000 0.937 91 E HN 0.741 nan 8.360 nan 0.000 0.446 92 N N 1.445 120.080 118.700 -0.108 0.000 2.258 92 N HA -0.255 4.483 4.740 -0.004 0.000 0.187 92 N C 1.252 176.704 175.510 -0.096 0.000 1.012 92 N CA 1.837 54.835 53.050 -0.088 0.000 0.870 92 N CB -0.059 38.389 38.487 -0.064 0.000 0.977 92 N HN 0.284 nan 8.380 nan 0.000 0.434 93 S N -2.395 113.230 115.700 -0.126 0.000 2.548 93 S HA 0.069 4.536 4.470 -0.004 0.000 0.215 93 S C 1.444 175.916 174.600 -0.213 0.000 0.976 93 S CA 0.222 58.346 58.200 -0.126 0.000 0.908 93 S CB -0.708 62.430 63.200 -0.103 0.000 0.781 93 S HN 0.295 nan 8.310 nan 0.000 0.519 94 T N 1.744 116.075 114.554 -0.372 0.000 2.737 94 T HA -0.052 4.296 4.350 -0.004 0.000 0.269 94 T C 0.206 174.379 174.700 -0.879 0.000 1.040 94 T CA 1.311 62.976 62.100 -0.726 0.000 1.142 94 T CB -0.502 67.677 68.868 -1.148 0.000 0.861 94 T HN 0.595 nan 8.240 nan 0.000 0.456 95 F N 0.890 120.735 119.950 -0.174 0.000 2.928 95 F HA 0.391 4.916 4.527 -0.004 0.000 0.337 95 F C 0.866 176.653 175.800 -0.022 0.000 1.259 95 F CA -1.283 56.642 58.000 -0.125 0.000 1.267 95 F CB 0.077 38.898 39.000 -0.298 0.000 0.986 95 F HN -0.086 nan 8.300 nan 0.000 0.507 96 D N 0.399 120.832 120.400 0.055 0.000 2.117 96 D HA -0.112 4.525 4.640 -0.004 0.000 0.198 96 D C 1.499 177.838 176.300 0.065 0.000 0.982 96 D CA 1.351 55.377 54.000 0.044 0.000 0.828 96 D CB 0.161 40.956 40.800 -0.008 0.000 0.967 96 D HN 0.197 nan 8.370 nan 0.000 0.464 97 E N -0.665 119.578 120.200 0.072 0.000 2.370 97 E HA 0.105 4.452 4.350 -0.004 0.000 0.194 97 E C 0.719 177.384 176.600 0.109 0.000 1.057 97 E CA -0.334 56.099 56.400 0.056 0.000 1.011 97 E CB -0.423 29.292 29.700 0.025 0.000 1.132 97 E HN 0.113 nan 8.360 nan 0.000 0.450 98 F N 0.191 120.150 119.950 0.015 0.000 2.234 98 F HA 0.063 4.587 4.527 -0.004 0.000 0.299 98 F C 1.841 177.578 175.800 -0.105 0.000 1.087 98 F CA 1.730 59.732 58.000 0.004 0.000 1.340 98 F CB 0.171 39.187 39.000 0.025 0.000 1.031 98 F HN 0.208 nan 8.300 nan 0.000 0.500 99 G N -0.980 107.710 108.800 -0.183 0.000 2.195 99 G HA2 -0.232 3.726 3.960 -0.004 0.000 0.246 99 G HA3 -0.232 3.726 3.960 -0.004 0.000 0.246 99 G C 0.151 174.666 174.900 -0.642 0.000 0.984 99 G CA 0.299 45.142 45.100 -0.429 0.000 0.633 99 G HN 0.546 nan 8.290 nan 0.000 0.525 100 H N -0.312 118.677 119.070 -0.135 0.000 2.851 100 H HA 0.599 5.153 4.556 -0.003 0.000 0.372 100 H C -0.457 174.957 175.328 0.142 0.000 1.158 100 H CA -0.001 56.031 56.048 -0.027 0.000 1.159 100 H CB 1.687 31.309 29.762 -0.232 0.000 1.757 100 H HN 0.179 nan 8.280 nan 0.000 0.546 101 S N 2.139 117.977 115.700 0.231 0.000 2.481 101 S HA 0.225 4.693 4.470 -0.004 0.000 0.276 101 S C 0.219 174.914 174.600 0.158 0.000 1.247 101 S CA -0.656 57.636 58.200 0.153 0.000 1.053 101 S CB -0.590 62.673 63.200 0.105 0.000 0.925 101 S HN 0.367 nan 8.310 nan 0.000 0.491 102 I N 5.612 126.222 120.570 0.067 0.000 2.352 102 I HA 0.169 4.337 4.170 -0.004 0.000 0.290 102 I C 1.405 177.526 176.117 0.006 0.000 1.036 102 I CA -0.327 60.976 61.300 0.004 0.000 1.336 102 I CB 0.952 38.842 38.000 -0.184 0.000 1.407 102 I HN 0.735 nan 8.210 nan 0.000 0.497 103 N N 3.738 122.444 118.700 0.010 0.000 2.250 103 N HA -0.065 4.672 4.740 -0.004 0.000 0.181 103 N C -0.006 175.459 175.510 -0.075 0.000 1.017 103 N CA 1.191 54.199 53.050 -0.071 0.000 0.866 103 N CB 0.368 38.776 38.487 -0.132 0.000 0.985 103 N HN 0.670 nan 8.380 nan 0.000 0.429 104 D N -2.898 117.494 120.400 -0.013 0.000 2.692 104 D HA 0.191 4.829 4.640 -0.004 0.000 0.290 104 D C -1.722 174.654 176.300 0.126 0.000 1.281 104 D CA -0.508 53.505 54.000 0.022 0.000 0.804 104 D CB 0.712 41.480 40.800 -0.054 0.000 1.331 104 D HN 0.067 nan 8.370 nan 0.000 0.432 105 Y N -1.378 118.941 120.300 0.032 0.000 2.615 105 Y HA 0.766 5.314 4.550 -0.004 0.000 0.341 105 Y C -1.299 174.686 175.900 0.141 0.000 1.089 105 Y CA -0.934 57.208 58.100 0.071 0.000 1.049 105 Y CB 1.737 40.220 38.460 0.038 0.000 1.296 105 Y HN 0.159 nan 8.280 nan 0.000 0.470 106 S N 2.149 118.033 115.700 0.306 0.000 2.689 106 S HA 0.596 5.063 4.470 -0.004 0.000 0.274 106 S C -1.456 173.469 174.600 0.541 0.000 1.176 106 S CA -0.561 57.829 58.200 0.317 0.000 1.014 106 S CB 0.236 63.634 63.200 0.331 0.000 1.071 106 S HN 0.690 nan 8.310 nan 0.000 0.478 107 I N 4.166 124.945 120.570 0.348 0.000 2.428 107 I HA 0.294 4.461 4.170 -0.004 0.000 0.289 107 I C 0.947 176.904 176.117 -0.268 0.000 1.019 107 I CA -0.468 60.936 61.300 0.172 0.000 1.351 107 I CB 1.663 39.772 38.000 0.181 0.000 1.412 107 I HN 0.737 nan 8.210 nan 0.000 0.513 108 S N 5.756 120.976 115.700 -0.800 0.000 2.560 108 S HA 0.156 4.623 4.470 -0.004 0.000 0.284 108 S C -1.788 172.515 174.600 -0.494 0.000 1.327 108 S CA -0.949 56.416 58.200 -1.392 0.000 1.055 108 S CB 0.814 63.112 63.200 -1.503 0.000 0.868 108 S HN 0.413 nan 8.310 nan 0.000 0.506 109 P HA -0.164 nan 4.420 nan 0.000 0.217 109 P C 0.806 178.065 177.300 -0.069 0.000 1.151 109 P CA 1.635 64.663 63.100 -0.119 0.000 0.849 109 P CB -0.156 31.497 31.700 -0.079 0.000 0.787 110 D N -2.012 118.345 120.400 -0.072 0.000 2.349 110 D HA 0.062 4.700 4.640 -0.004 0.000 0.224 110 D C 1.372 177.672 176.300 -0.000 0.000 1.029 110 D CA 0.647 54.643 54.000 -0.006 0.000 0.879 110 D CB -1.208 39.619 40.800 0.046 0.000 0.906 110 D HN 0.212 nan 8.370 nan 0.000 0.528 111 G N 0.453 109.238 108.800 -0.025 0.000 2.166 111 G HA2 -0.407 3.551 3.960 -0.004 0.000 0.260 111 G HA3 -0.407 3.551 3.960 -0.004 0.000 0.260 111 G C 0.898 175.783 174.900 -0.024 0.000 0.986 111 G CA 0.639 45.762 45.100 0.038 0.000 0.683 111 G HN 0.476 nan 8.290 nan 0.000 0.527 112 Q N -1.712 118.016 119.800 -0.119 0.000 2.354 112 Q HA 0.365 4.702 4.340 -0.004 0.000 0.203 112 Q C 0.228 175.789 176.000 -0.731 0.000 0.933 112 Q CA 0.664 56.226 55.803 -0.403 0.000 0.901 112 Q CB 0.390 28.872 28.738 -0.426 0.000 1.007 112 Q HN 0.585 nan 8.270 nan 0.000 0.495 113 F N -0.563 119.322 119.950 -0.108 0.000 2.599 113 F HA 0.488 5.012 4.527 -0.004 0.000 0.311 113 F C -0.680 175.192 175.800 0.120 0.000 1.076 113 F CA -1.167 56.835 58.000 0.003 0.000 0.937 113 F CB 1.790 40.816 39.000 0.044 0.000 1.282 113 F HN -0.207 nan 8.300 nan 0.000 0.460 114 I N 3.172 124.054 120.570 0.520 0.000 2.465 114 I HA 0.523 4.690 4.170 -0.004 0.000 0.291 114 I C -1.755 174.702 176.117 0.567 0.000 1.014 114 I CA -1.072 60.546 61.300 0.530 0.000 1.093 114 I CB 1.484 39.750 38.000 0.444 0.000 1.267 114 I HN 0.556 nan 8.210 nan 0.000 0.431 115 L N 8.400 129.996 121.223 0.622 0.000 2.276 115 L HA 0.484 4.822 4.340 -0.004 0.000 0.286 115 L C -1.288 175.755 176.870 0.288 0.000 1.061 115 L CA 0.043 55.124 54.840 0.401 0.000 0.807 115 L CB 0.934 43.143 42.059 0.250 0.000 1.177 115 L HN 0.513 nan 8.230 nan 0.000 0.429 116 L N 5.270 126.603 121.223 0.185 0.000 2.287 116 L HA 0.508 4.846 4.340 -0.004 0.000 0.287 116 L C -0.089 176.859 176.870 0.131 0.000 1.022 116 L CA -0.396 54.465 54.840 0.034 0.000 0.814 116 L CB 1.473 43.333 42.059 -0.333 0.000 1.217 116 L HN 0.609 nan 8.230 nan 0.000 0.420 117 E N 3.887 124.130 120.200 0.071 0.000 2.156 117 E HA 0.448 4.796 4.350 -0.004 0.000 0.279 117 E C -1.573 175.025 176.600 -0.003 0.000 0.965 117 E CA -0.498 55.822 56.400 -0.133 0.000 0.789 117 E CB 1.099 30.787 29.700 -0.020 0.000 1.098 117 E HN 0.460 nan 8.360 nan 0.000 0.397 118 Y N 1.592 121.733 120.300 -0.266 0.000 2.728 118 Y HA 0.423 4.971 4.550 -0.003 0.000 0.330 118 Y C -0.232 175.584 175.900 -0.140 0.000 1.234 118 Y CA -1.564 56.464 58.100 -0.120 0.000 1.070 118 Y CB 0.437 38.896 38.460 -0.001 0.000 1.300 118 Y HN 0.507 nan 8.280 nan 0.000 0.467 119 N N -0.338 118.367 118.700 0.008 0.000 2.735 119 N HA -0.299 4.438 4.740 -0.004 0.000 0.248 119 N C -1.030 174.444 175.510 -0.060 0.000 1.083 119 N CA 1.011 54.018 53.050 -0.072 0.000 0.703 119 N CB -1.605 36.730 38.487 -0.254 0.000 1.005 119 N HN 0.849 nan 8.380 nan 0.000 0.550 120 Y N 0.217 120.449 120.300 -0.113 0.000 2.650 120 Y HA 0.251 4.799 4.550 -0.004 0.000 0.331 120 Y C 0.018 175.887 175.900 -0.051 0.000 1.165 120 Y CA 0.048 58.084 58.100 -0.107 0.000 1.473 120 Y CB 0.618 38.975 38.460 -0.172 0.000 1.224 120 Y HN -0.004 nan 8.280 nan 0.000 0.533 121 V N 8.123 127.724 119.914 -0.523 0.000 2.409 121 V HA 0.197 4.314 4.120 -0.004 0.000 0.290 121 V C -0.207 175.520 176.094 -0.611 0.000 1.017 121 V CA -1.466 60.565 62.300 -0.448 0.000 0.841 121 V CB 1.289 32.987 31.823 -0.208 0.000 1.003 121 V HN 0.727 nan 8.190 nan 0.000 0.426 122 K N 3.620 123.651 120.400 -0.615 0.000 2.436 122 K HA 0.142 4.460 4.320 -0.004 0.000 0.275 122 K C 0.441 176.875 176.600 -0.277 0.000 0.999 122 K CA 0.313 56.387 56.287 -0.355 0.000 0.980 122 K CB 1.059 33.531 32.500 -0.048 0.000 0.919 122 K HN 0.832 nan 8.250 nan 0.000 0.484 123 Q N 3.023 122.636 119.800 -0.311 0.000 2.679 123 Q HA 0.155 4.492 4.340 -0.004 0.000 0.255 123 Q C 0.027 175.765 176.000 -0.437 0.000 1.053 123 Q CA -0.301 55.128 55.803 -0.624 0.000 0.620 123 Q CB 0.060 28.258 28.738 -0.901 0.000 3.775 123 Q HN 0.715 nan 8.270 nan 0.000 0.446 124 W N 0.132 121.423 121.300 -0.015 0.000 1.836 124 W HA 0.370 5.028 4.660 -0.004 0.000 0.628 124 W C 1.857 178.357 176.519 -0.033 0.000 1.626 124 W CA -0.674 56.686 57.345 0.024 0.000 1.714 124 W CB -0.217 29.225 29.460 -0.030 0.000 3.166 124 W HN 0.283 nan 8.180 nan 0.000 0.772 125 R N -0.658 119.916 120.500 0.122 0.000 2.092 125 R HA -0.137 4.201 4.340 -0.004 0.000 0.231 125 R C 1.748 177.887 176.300 -0.269 0.000 1.119 125 R CA 1.716 57.722 56.100 -0.155 0.000 0.970 125 R CB -0.354 29.706 30.300 -0.400 0.000 0.864 125 R HN 0.497 nan 8.270 nan 0.000 0.440 126 H N -1.230 117.910 119.070 0.116 0.000 2.695 126 H HA 0.163 4.716 4.556 -0.004 0.000 0.267 126 H C 0.601 176.013 175.328 0.140 0.000 0.973 126 H CA 0.491 56.626 56.048 0.146 0.000 1.223 126 H CB 0.193 30.014 29.762 0.099 0.000 1.442 126 H HN 0.132 nan 8.280 nan 0.000 0.478 127 S N 1.453 117.141 115.700 -0.020 0.000 2.576 127 S HA 0.379 4.846 4.470 -0.004 0.000 0.276 127 S C -0.292 174.196 174.600 -0.187 0.000 1.339 127 S CA -0.514 57.389 58.200 -0.495 0.000 1.039 127 S CB 0.642 63.007 63.200 -1.393 0.000 0.902 127 S HN 0.436 nan 8.310 nan 0.000 0.516 128 Y N -2.043 118.137 120.300 -0.199 0.000 2.677 128 Y HA 0.714 5.262 4.550 -0.004 0.000 0.334 128 Y C -0.649 175.226 175.900 -0.042 0.000 1.196 128 Y CA -0.976 56.991 58.100 -0.221 0.000 1.059 128 Y CB 0.610 38.887 38.460 -0.304 0.000 1.315 128 Y HN 0.848 nan 8.280 nan 0.000 0.455 129 T N -0.187 114.401 114.554 0.056 0.000 2.942 129 T HA 1.005 5.352 4.350 -0.004 0.000 0.289 129 T C -0.497 174.278 174.700 0.125 0.000 1.044 129 T CA -0.165 61.995 62.100 0.101 0.000 1.023 129 T CB 1.741 70.627 68.868 0.031 0.000 1.123 129 T HN 1.797 nan 8.240 nan 0.000 0.512 130 A N 0.839 123.708 122.820 0.081 0.000 2.586 130 A HA 0.765 5.082 4.320 -0.004 0.000 0.290 130 A C -0.501 176.851 177.584 -0.387 0.000 1.086 130 A CA -0.971 50.960 52.037 -0.177 0.000 0.665 130 A CB 1.122 19.989 19.000 -0.223 0.000 1.279 130 A HN 0.856 nan 8.150 nan 0.000 0.423 131 S N -0.685 114.555 115.700 -0.768 0.000 2.651 131 S HA 0.792 5.260 4.470 -0.004 0.000 0.291 131 S C -1.495 172.411 174.600 -1.157 0.000 1.141 131 S CA -0.036 57.620 58.200 -0.907 0.000 1.027 131 S CB 0.604 63.041 63.200 -1.272 0.000 1.043 131 S HN 0.451 nan 8.310 nan 0.000 0.530 132 Y N 0.133 120.217 120.300 -0.360 0.000 2.433 132 Y HA 0.404 4.951 4.550 -0.004 0.000 0.337 132 Y C -0.252 175.698 175.900 0.083 0.000 1.026 132 Y CA -0.882 57.159 58.100 -0.099 0.000 1.037 132 Y CB 1.664 40.007 38.460 -0.195 0.000 1.245 132 Y HN 0.526 nan 8.280 nan 0.000 0.443 133 D N 2.949 123.578 120.400 0.382 0.000 2.350 133 D HA 0.593 5.230 4.640 -0.004 0.000 0.238 133 D C -0.847 175.587 176.300 0.224 0.000 0.989 133 D CA -0.377 53.802 54.000 0.299 0.000 0.921 133 D CB 2.804 43.853 40.800 0.416 0.000 1.297 133 D HN 0.404 nan 8.370 nan 0.000 0.490 134 I N 1.517 122.214 120.570 0.212 0.000 2.433 134 I HA 0.221 4.389 4.170 -0.004 0.000 0.292 134 I C -0.953 175.382 176.117 0.363 0.000 1.001 134 I CA -0.926 60.537 61.300 0.272 0.000 1.119 134 I CB 1.531 39.642 38.000 0.184 0.000 1.289 134 I HN 0.225 nan 8.210 nan 0.000 0.438 135 Y N 5.432 125.904 120.300 0.287 0.000 2.335 135 Y HA 0.300 4.848 4.550 -0.004 0.000 0.338 135 Y C -0.140 175.946 175.900 0.310 0.000 0.977 135 Y CA -0.711 57.559 58.100 0.282 0.000 1.114 135 Y CB 1.094 39.733 38.460 0.297 0.000 1.182 135 Y HN 0.491 nan 8.280 nan 0.000 0.463 136 D N 6.477 126.781 120.400 -0.160 0.000 2.352 136 D HA 0.065 4.702 4.640 -0.004 0.000 0.245 136 D C 0.743 176.718 176.300 -0.542 0.000 1.224 136 D CA 0.395 54.227 54.000 -0.279 0.000 0.879 136 D CB 0.836 41.541 40.800 -0.158 0.000 1.057 136 D HN 0.877 nan 8.370 nan 0.000 0.491 137 L N 3.649 124.633 121.223 -0.398 0.000 2.141 137 L HA -0.128 4.210 4.340 -0.004 0.000 0.209 137 L C 2.070 178.770 176.870 -0.284 0.000 1.094 137 L CA 0.584 55.272 54.840 -0.252 0.000 0.763 137 L CB -0.195 41.758 42.059 -0.177 0.000 0.908 137 L HN 0.382 nan 8.230 nan 0.000 0.437 138 N N 0.191 118.691 118.700 -0.334 0.000 2.250 138 N HA -0.105 4.633 4.740 -0.004 0.000 0.181 138 N C 1.552 176.934 175.510 -0.213 0.000 1.017 138 N CA 1.032 53.932 53.050 -0.250 0.000 0.866 138 N CB 0.062 38.405 38.487 -0.241 0.000 0.985 138 N HN 0.343 nan 8.380 nan 0.000 0.429 139 K N 0.684 120.937 120.400 -0.245 0.000 2.426 139 K HA 0.205 4.522 4.320 -0.004 0.000 0.193 139 K C -0.174 176.297 176.600 -0.215 0.000 1.028 139 K CA -0.136 56.036 56.287 -0.192 0.000 1.047 139 K CB 0.419 32.822 32.500 -0.161 0.000 0.821 139 K HN 0.034 nan 8.250 nan 0.000 0.513 140 R N 1.587 121.904 120.500 -0.305 0.000 3.225 140 R HA -0.217 4.121 4.340 -0.004 0.000 0.245 140 R C -0.824 175.283 176.300 -0.321 0.000 0.928 140 R CA 0.698 56.619 56.100 -0.298 0.000 0.632 140 R CB -1.727 28.530 30.300 -0.072 0.000 1.038 140 R HN 0.411 nan 8.270 nan 0.000 0.461 141 Q N 0.168 119.601 119.800 -0.613 0.000 2.345 141 Q HA 0.360 4.697 4.340 -0.004 0.000 0.275 141 Q C -1.053 174.788 176.000 -0.264 0.000 1.063 141 Q CA -1.116 54.526 55.803 -0.268 0.000 0.819 141 Q CB 2.239 30.902 28.738 -0.126 0.000 1.356 141 Q HN 0.078 nan 8.270 nan 0.000 0.418 142 L N 2.583 123.898 121.223 0.154 0.000 2.397 142 L HA 0.348 4.685 4.340 -0.004 0.000 0.271 142 L C -0.664 176.305 176.870 0.166 0.000 1.148 142 L CA 0.369 55.396 54.840 0.311 0.000 0.825 142 L CB 0.701 43.013 42.059 0.422 0.000 1.117 142 L HN 0.540 nan 8.230 nan 0.000 0.456 143 I N 3.394 124.066 120.570 0.170 0.000 2.371 143 I HA 0.159 4.326 4.170 -0.004 0.000 0.290 143 I C 0.944 177.116 176.117 0.091 0.000 1.028 143 I CA 0.081 61.446 61.300 0.109 0.000 1.345 143 I CB 1.114 39.172 38.000 0.097 0.000 1.407 143 I HN 0.791 nan 8.210 nan 0.000 0.501 144 T N 0.352 114.941 114.554 0.059 0.000 3.010 144 T HA 0.280 4.627 4.350 -0.004 0.000 0.257 144 T C 0.414 175.119 174.700 0.009 0.000 1.020 144 T CA -0.271 61.854 62.100 0.041 0.000 0.938 144 T CB 0.051 68.943 68.868 0.039 0.000 1.049 144 T HN 0.387 nan 8.240 nan 0.000 0.522 145 E N 1.725 121.925 120.200 0.000 0.000 2.202 145 E HA 0.488 4.836 4.350 -0.004 0.000 0.272 145 E C -0.194 176.378 176.600 -0.045 0.000 0.951 145 E CA -0.596 55.791 56.400 -0.022 0.000 0.813 145 E CB 0.631 30.320 29.700 -0.017 0.000 1.151 145 E HN 0.061 nan 8.360 nan 0.000 0.398 146 E N 1.046 121.205 120.200 -0.069 0.000 2.297 146 E HA -0.271 4.077 4.350 -0.004 0.000 0.228 146 E C -0.761 175.763 176.600 -0.126 0.000 1.213 146 E CA 0.564 56.904 56.400 -0.100 0.000 0.712 146 E CB -1.251 28.398 29.700 -0.085 0.000 1.202 146 E HN 0.445 nan 8.360 nan 0.000 0.376 147 R N -0.171 120.250 120.500 -0.132 0.000 2.643 147 R HA 0.297 4.635 4.340 -0.004 0.000 0.270 147 R C 1.101 177.234 176.300 -0.279 0.000 1.061 147 R CA -0.424 55.585 56.100 -0.151 0.000 1.107 147 R CB 0.467 30.708 30.300 -0.097 0.000 0.999 147 R HN 0.144 nan 8.270 nan 0.000 0.460 148 I N 5.223 125.587 120.570 -0.343 0.000 2.821 148 I HA -0.054 4.114 4.170 -0.004 0.000 0.294 148 I C -1.504 174.319 176.117 -0.490 0.000 1.210 148 I CA -0.978 59.962 61.300 -0.600 0.000 1.430 148 I CB 0.093 37.735 38.000 -0.596 0.000 1.356 148 I HN 0.365 nan 8.210 nan 0.000 0.563 149 P HA 0.051 nan 4.420 nan 0.000 0.271 149 P C -0.816 176.290 177.300 -0.323 0.000 1.233 149 P CA -0.334 62.404 63.100 -0.603 0.000 0.789 149 P CB 0.417 31.366 31.700 -1.251 0.000 0.951 150 N N 1.876 120.468 118.700 -0.181 0.000 2.444 150 N HA 0.004 4.742 4.740 -0.004 0.000 0.255 150 N C 0.676 176.255 175.510 0.116 0.000 1.255 150 N CA 0.228 53.237 53.050 -0.068 0.000 0.933 150 N CB -0.407 38.047 38.487 -0.056 0.000 1.143 150 N HN 0.433 nan 8.380 nan 0.000 0.453 151 N N -1.209 117.541 118.700 0.083 0.000 2.776 151 N HA -0.152 4.585 4.740 -0.004 0.000 0.250 151 N C -0.833 174.843 175.510 0.277 0.000 1.112 151 N CA 0.684 53.824 53.050 0.149 0.000 0.733 151 N CB -1.717 36.861 38.487 0.151 0.000 1.097 151 N HN 0.482 nan 8.380 nan 0.000 0.558 152 T N 0.839 115.555 114.554 0.270 0.000 2.901 152 T HA 0.126 4.474 4.350 -0.004 0.000 0.301 152 T C 1.694 176.542 174.700 0.246 0.000 1.012 152 T CA 0.142 62.420 62.100 0.297 0.000 1.135 152 T CB 1.326 70.274 68.868 0.133 0.000 0.936 152 T HN 0.170 nan 8.240 nan 0.000 0.539 153 Q N 1.552 121.485 119.800 0.222 0.000 2.297 153 Q HA 0.183 4.521 4.340 -0.004 0.000 0.203 153 Q C 0.072 176.211 176.000 0.232 0.000 0.931 153 Q CA 0.345 56.286 55.803 0.229 0.000 0.885 153 Q CB 0.830 29.661 28.738 0.155 0.000 0.991 153 Q HN 0.703 nan 8.270 nan 0.000 0.498 154 W N -0.325 120.916 121.300 -0.097 0.000 3.419 154 W HA 0.506 5.164 4.660 -0.004 0.000 0.298 154 W C -2.314 174.104 176.519 -0.170 0.000 1.260 154 W CA -0.715 56.527 57.345 -0.173 0.000 1.199 154 W CB 1.284 30.578 29.460 -0.276 0.000 1.349 154 W HN -0.290 nan 8.180 nan 0.000 0.557 155 V N 4.409 123.610 119.914 -1.188 0.000 2.808 155 V HA 0.761 4.878 4.120 -0.004 0.000 0.308 155 V C -1.494 173.976 176.094 -1.040 0.000 1.099 155 V CA -0.085 61.659 62.300 -0.926 0.000 0.920 155 V CB 2.311 33.534 31.823 -0.999 0.000 1.014 155 V HN 0.576 nan 8.190 nan 0.000 0.425 156 T N 5.860 120.136 114.554 -0.463 0.000 3.032 156 T HA 0.493 4.840 4.350 -0.004 0.000 0.312 156 T C -1.111 173.609 174.700 0.032 0.000 1.078 156 T CA -0.313 61.700 62.100 -0.144 0.000 1.028 156 T CB 0.737 69.769 68.868 0.273 0.000 1.091 156 T HN 0.693 nan 8.240 nan 0.000 0.457 157 W N 3.512 124.845 121.300 0.056 0.000 2.148 157 W HA 0.334 4.992 4.660 -0.004 0.000 0.347 157 W C 1.386 177.763 176.519 -0.236 0.000 1.288 157 W CA -0.498 56.832 57.345 -0.026 0.000 1.252 157 W CB 0.459 29.904 29.460 -0.025 0.000 1.156 157 W HN 0.791 nan 8.180 nan 0.000 0.580 158 S N 1.787 117.221 115.700 -0.444 0.000 2.576 158 S HA 0.077 4.544 4.470 -0.004 0.000 0.272 158 S C -1.766 172.573 174.600 -0.435 0.000 1.352 158 S CA -0.929 56.514 58.200 -1.262 0.000 1.021 158 S CB 0.741 63.098 63.200 -1.405 0.000 0.887 158 S HN 0.305 nan 8.310 nan 0.000 0.542 159 P HA 0.165 nan 4.420 nan 0.000 0.229 159 P C -0.327 176.926 177.300 -0.078 0.000 1.160 159 P CA 0.412 63.466 63.100 -0.076 0.000 0.777 159 P CB 0.103 31.803 31.700 -0.000 0.000 0.814 160 V N -1.591 118.231 119.914 -0.152 0.000 2.876 160 V HA 0.680 4.797 4.120 -0.004 0.000 0.312 160 V C 0.756 176.744 176.094 -0.177 0.000 1.085 160 V CA 0.047 62.275 62.300 -0.121 0.000 0.945 160 V CB 1.083 32.847 31.823 -0.098 0.000 1.017 160 V HN 0.403 nan 8.190 nan 0.000 0.428 161 G N 2.985 111.700 108.800 -0.141 0.000 2.509 161 G HA2 -0.200 3.758 3.960 -0.004 0.000 0.259 161 G HA3 -0.200 3.758 3.960 -0.004 0.000 0.259 161 G C 0.138 174.955 174.900 -0.139 0.000 1.169 161 G CA 0.592 45.575 45.100 -0.195 0.000 0.953 161 G HN 1.877 nan 8.290 nan 0.000 0.563 162 H N -0.559 118.498 119.070 -0.021 0.000 3.204 162 H HA 0.390 4.944 4.556 -0.004 0.000 0.240 162 H C 0.219 175.696 175.328 0.247 0.000 1.259 162 H CA -0.106 55.989 56.048 0.079 0.000 0.991 162 H CB -0.259 29.558 29.762 0.092 0.000 2.583 162 H HN 0.515 nan 8.280 nan 0.000 0.638 163 K N 1.705 122.153 120.400 0.080 0.000 2.258 163 K HA 0.454 4.772 4.320 -0.004 0.000 0.264 163 K C -0.405 176.309 176.600 0.191 0.000 1.007 163 K CA -0.279 56.056 56.287 0.080 0.000 0.941 163 K CB 1.577 33.978 32.500 -0.165 0.000 0.966 163 K HN 0.135 nan 8.250 nan 0.000 0.480 164 L N 1.256 122.609 121.223 0.215 0.000 2.381 164 L HA 0.573 4.910 4.340 -0.004 0.000 0.268 164 L C -0.780 176.305 176.870 0.359 0.000 0.997 164 L CA -0.840 54.090 54.840 0.151 0.000 0.818 164 L CB 2.111 44.100 42.059 -0.116 0.000 1.310 164 L HN 0.687 nan 8.230 nan 0.000 0.416 165 A N 2.392 125.430 122.820 0.363 0.000 2.355 165 A HA 0.835 5.153 4.320 -0.004 0.000 0.317 165 A C -1.520 176.101 177.584 0.061 0.000 1.094 165 A CA -0.374 51.736 52.037 0.123 0.000 0.764 165 A CB 1.110 20.062 19.000 -0.080 0.000 1.230 165 A HN 0.661 nan 8.150 nan 0.000 0.448 166 Y N -0.667 119.592 120.300 -0.069 0.000 2.588 166 Y HA 0.754 5.302 4.550 -0.004 0.000 0.343 166 Y C -1.220 174.689 175.900 0.016 0.000 1.065 166 Y CA -1.527 56.514 58.100 -0.097 0.000 1.038 166 Y CB 1.181 39.520 38.460 -0.202 0.000 1.297 166 Y HN 0.385 nan 8.280 nan 0.000 0.467 167 V N 2.265 122.308 119.914 0.215 0.000 2.417 167 V HA 0.377 4.494 4.120 -0.004 0.000 0.291 167 V C -1.413 174.895 176.094 0.356 0.000 1.024 167 V CA -0.597 61.802 62.300 0.165 0.000 0.861 167 V CB 1.251 33.079 31.823 0.007 0.000 0.985 167 V HN 0.880 nan 8.190 nan 0.000 0.436 168 W N 4.988 126.390 121.300 0.170 0.000 3.097 168 W HA 0.448 5.106 4.660 -0.004 0.000 0.335 168 W C 0.261 176.837 176.519 0.095 0.000 1.114 168 W CA -0.684 56.734 57.345 0.122 0.000 1.231 168 W CB 1.245 30.760 29.460 0.093 0.000 1.388 168 W HN 0.775 nan 8.180 nan 0.000 0.485 169 N N 5.128 123.425 118.700 -0.670 0.000 2.716 169 N HA -0.345 4.392 4.740 -0.004 0.000 0.250 169 N C -0.014 175.322 175.510 -0.290 0.000 1.033 169 N CA 1.052 53.724 53.050 -0.629 0.000 0.727 169 N CB -0.870 37.002 38.487 -1.025 0.000 0.950 169 N HN 0.724 nan 8.380 nan 0.000 0.541 170 N N -1.623 116.975 118.700 -0.170 0.000 2.878 170 N HA -0.149 4.589 4.740 -0.004 0.000 0.247 170 N C -1.375 174.055 175.510 -0.135 0.000 1.021 170 N CA 1.652 54.622 53.050 -0.133 0.000 0.873 170 N CB -0.505 37.863 38.487 -0.199 0.000 1.128 170 N HN 0.534 nan 8.380 nan 0.000 0.571 171 D N -0.145 120.183 120.400 -0.121 0.000 2.350 171 D HA 0.501 5.138 4.640 -0.004 0.000 0.238 171 D C 0.457 176.573 176.300 -0.307 0.000 0.989 171 D CA -0.436 53.407 54.000 -0.262 0.000 0.921 171 D CB 1.362 41.939 40.800 -0.372 0.000 1.297 171 D HN -0.005 nan 8.370 nan 0.000 0.490 172 I N 1.504 121.724 120.570 -0.583 0.000 2.385 172 I HA 0.245 4.413 4.170 -0.004 0.000 0.294 172 I C -0.716 174.892 176.117 -0.849 0.000 0.988 172 I CA -0.479 60.463 61.300 -0.596 0.000 1.265 172 I CB 0.606 38.177 38.000 -0.715 0.000 1.388 172 I HN 0.157 nan 8.210 nan 0.000 0.480 173 Y N 4.103 124.012 120.300 -0.652 0.000 2.499 173 Y HA 0.644 5.191 4.550 -0.004 0.000 0.347 173 Y C -0.347 175.201 175.900 -0.588 0.000 0.987 173 Y CA -0.954 56.717 58.100 -0.715 0.000 1.044 173 Y CB 2.072 39.839 38.460 -1.155 0.000 1.245 173 Y HN 0.108 nan 8.280 nan 0.000 0.461 174 V N 2.627 122.466 119.914 -0.124 0.000 2.588 174 V HA 0.459 4.577 4.120 -0.004 0.000 0.304 174 V C -0.893 175.317 176.094 0.194 0.000 1.042 174 V CA -1.384 60.950 62.300 0.056 0.000 0.877 174 V CB 1.945 33.831 31.823 0.105 0.000 0.996 174 V HN 0.619 nan 8.190 nan 0.000 0.425 175 K N 4.281 124.808 120.400 0.212 0.000 2.307 175 K HA 0.526 4.844 4.320 -0.004 0.000 0.263 175 K C 0.420 177.153 176.600 0.221 0.000 0.973 175 K CA -0.718 55.688 56.287 0.197 0.000 0.846 175 K CB 1.869 34.444 32.500 0.125 0.000 1.100 175 K HN 0.431 nan 8.250 nan 0.000 0.438 176 I N 1.248 121.970 120.570 0.253 0.000 2.406 176 I HA -0.057 4.111 4.170 -0.004 0.000 0.249 176 I C 0.342 176.572 176.117 0.188 0.000 1.122 176 I CA 1.384 62.809 61.300 0.207 0.000 1.431 176 I CB -0.224 37.909 38.000 0.220 0.000 1.087 176 I HN 0.576 nan 8.210 nan 0.000 0.424 177 E N 0.111 120.406 120.200 0.157 0.000 2.266 177 E HA 0.281 4.628 4.350 -0.004 0.000 0.268 177 E C -1.931 174.657 176.600 -0.020 0.000 0.879 177 E CA -1.982 54.483 56.400 0.110 0.000 0.762 177 E CB 1.793 31.555 29.700 0.103 0.000 1.199 177 E HN -0.139 nan 8.360 nan 0.000 0.422 178 P HA -0.153 nan 4.420 nan 0.000 0.219 178 P C 0.804 178.024 177.300 -0.133 0.000 1.146 178 P CA 1.236 64.188 63.100 -0.247 0.000 0.808 178 P CB 0.295 31.618 31.700 -0.628 0.000 0.779 179 N N -1.321 117.325 118.700 -0.090 0.000 2.280 179 N HA 0.020 4.757 4.740 -0.004 0.000 0.192 179 N C 0.148 175.638 175.510 -0.032 0.000 1.109 179 N CA 0.216 53.242 53.050 -0.039 0.000 0.855 179 N CB -0.113 38.372 38.487 -0.004 0.000 0.974 179 N HN 0.177 nan 8.380 nan 0.000 0.482 180 L N 0.611 121.815 121.223 -0.031 0.000 2.332 180 L HA 0.534 4.872 4.340 -0.004 0.000 0.269 180 L C -2.301 174.523 176.870 -0.076 0.000 1.016 180 L CA -2.300 52.520 54.840 -0.034 0.000 0.809 180 L CB 1.437 43.498 42.059 0.002 0.000 1.280 180 L HN -0.217 nan 8.230 nan 0.000 0.447 181 P HA 0.041 nan 4.420 nan 0.000 0.267 181 P C -0.792 176.346 177.300 -0.269 0.000 1.200 181 P CA 0.007 63.000 63.100 -0.178 0.000 0.772 181 P CB 0.561 32.144 31.700 -0.195 0.000 0.855 182 S N 1.303 116.892 115.700 -0.184 0.000 2.592 182 S HA 0.239 4.706 4.470 -0.004 0.000 0.271 182 S C -0.461 173.978 174.600 -0.268 0.000 1.326 182 S CA 0.003 58.129 58.200 -0.125 0.000 1.024 182 S CB -0.139 63.079 63.200 0.030 0.000 0.921 182 S HN 0.238 nan 8.310 nan 0.000 0.527 183 Y N 1.156 121.481 120.300 0.042 0.000 2.335 183 Y HA 0.388 4.936 4.550 -0.004 0.000 0.339 183 Y C 0.664 176.492 175.900 -0.120 0.000 0.987 183 Y CA -0.667 57.435 58.100 0.004 0.000 1.140 183 Y CB 0.651 39.112 38.460 0.002 0.000 1.173 183 Y HN 0.511 nan 8.280 nan 0.000 0.486 184 R N 3.325 123.766 120.500 -0.098 0.000 2.442 184 R HA 0.204 4.542 4.340 -0.004 0.000 0.291 184 R C 0.130 176.019 176.300 -0.685 0.000 1.069 184 R CA 0.049 55.718 56.100 -0.717 0.000 1.022 184 R CB 0.335 30.062 30.300 -0.956 0.000 0.976 184 R HN 0.764 nan 8.270 nan 0.000 0.443 185 I N 2.070 122.158 120.570 -0.802 0.000 3.172 185 I HA 0.018 4.186 4.170 -0.004 0.000 0.278 185 I C 0.860 176.718 176.117 -0.432 0.000 1.174 185 I CA 0.770 61.789 61.300 -0.470 0.000 1.445 185 I CB -0.323 37.394 38.000 -0.472 0.000 1.175 185 I HN 0.673 nan 8.210 nan 0.000 0.447 186 T N -3.784 110.347 114.554 -0.705 0.000 2.907 186 T HA 0.391 4.739 4.350 -0.004 0.000 0.292 186 T C -0.176 174.220 174.700 -0.508 0.000 1.043 186 T CA -0.522 61.337 62.100 -0.401 0.000 1.003 186 T CB 2.169 70.798 68.868 -0.398 0.000 1.084 186 T HN 0.215 nan 8.240 nan 0.000 0.483 187 W N 0.878 122.067 121.300 -0.185 0.000 2.714 187 W HA 0.120 4.778 4.660 -0.004 0.000 0.353 187 W C 1.411 177.875 176.519 -0.092 0.000 0.999 187 W CA 0.013 57.286 57.345 -0.121 0.000 1.629 187 W CB 0.625 30.035 29.460 -0.083 0.000 1.106 187 W HN 0.953 nan 8.180 nan 0.000 0.545 188 T N -2.560 112.032 114.554 0.064 0.000 3.060 188 T HA 0.180 4.527 4.350 -0.004 0.000 0.249 188 T C 1.244 175.933 174.700 -0.017 0.000 1.079 188 T CA 0.156 62.277 62.100 0.034 0.000 1.013 188 T CB 0.135 69.023 68.868 0.033 0.000 0.975 188 T HN -0.044 nan 8.240 nan 0.000 0.518 189 G N 1.395 110.153 108.800 -0.070 0.000 2.224 189 G HA2 0.310 4.268 3.960 -0.004 0.000 0.239 189 G HA3 0.310 4.268 3.960 -0.004 0.000 0.239 189 G C -0.570 174.263 174.900 -0.112 0.000 1.240 189 G CA -0.291 44.743 45.100 -0.110 0.000 0.896 189 G HN 0.592 nan 8.290 nan 0.000 0.496 190 K N 1.903 122.214 120.400 -0.147 0.000 2.589 190 K HA 0.163 4.480 4.320 -0.004 0.000 0.253 190 K C -0.190 176.286 176.600 -0.207 0.000 0.974 190 K CA -0.664 55.541 56.287 -0.137 0.000 0.835 190 K CB 1.487 33.942 32.500 -0.074 0.000 1.272 190 K HN 0.637 nan 8.250 nan 0.000 0.444 191 E N 3.344 123.431 120.200 -0.188 0.000 2.652 191 E HA -0.152 4.195 4.350 -0.004 0.000 0.255 191 E C -0.574 175.931 176.600 -0.158 0.000 0.952 191 E CA 1.037 57.324 56.400 -0.190 0.000 0.947 191 E CB 0.265 29.890 29.700 -0.124 0.000 0.912 191 E HN 0.661 nan 8.360 nan 0.000 0.489 192 D N 2.532 122.817 120.400 -0.190 0.000 3.059 192 D HA -0.235 4.403 4.640 -0.004 0.000 0.213 192 D C 0.502 176.828 176.300 0.044 0.000 1.144 192 D CA 1.327 55.334 54.000 0.012 0.000 0.975 192 D CB -0.501 40.349 40.800 0.084 0.000 1.125 192 D HN 0.429 nan 8.370 nan 0.000 0.412 193 I N -1.107 119.390 120.570 -0.122 0.000 3.669 193 I HA 0.097 4.265 4.170 -0.004 0.000 0.255 193 I C 0.670 176.829 176.117 0.069 0.000 1.144 193 I CA 0.341 61.660 61.300 0.032 0.000 1.447 193 I CB 0.165 38.173 38.000 0.013 0.000 1.622 193 I HN -0.148 nan 8.210 nan 0.000 0.435 194 I N 1.915 122.444 120.570 -0.069 0.000 2.362 194 I HA 0.266 4.433 4.170 -0.004 0.000 0.289 194 I C -1.247 174.830 176.117 -0.066 0.000 0.994 194 I CA -0.531 60.795 61.300 0.042 0.000 1.158 194 I CB 0.769 38.789 38.000 0.034 0.000 1.315 194 I HN 0.060 nan 8.210 nan 0.000 0.451 195 Y N 4.699 125.086 120.300 0.146 0.000 2.356 195 Y HA 0.383 4.931 4.550 -0.004 0.000 0.334 195 Y C 0.421 176.374 175.900 0.087 0.000 0.958 195 Y CA -0.742 57.445 58.100 0.146 0.000 1.196 195 Y CB 0.959 39.594 38.460 0.292 0.000 1.137 195 Y HN 0.416 nan 8.280 nan 0.000 0.485 196 N N 2.321 121.073 118.700 0.087 0.000 2.437 196 N HA 0.329 5.067 4.740 -0.004 0.000 0.259 196 N C 0.875 176.316 175.510 -0.115 0.000 0.983 196 N CA 0.481 53.513 53.050 -0.030 0.000 0.937 196 N CB 1.817 40.190 38.487 -0.189 0.000 1.122 196 N HN 0.991 nan 8.380 nan 0.000 0.499 197 G N 1.617 110.367 108.800 -0.085 0.000 2.184 197 G HA2 -0.259 3.698 3.960 -0.004 0.000 0.264 197 G HA3 -0.259 3.698 3.960 -0.004 0.000 0.264 197 G C 0.125 174.870 174.900 -0.257 0.000 0.975 197 G CA 0.736 45.711 45.100 -0.209 0.000 0.642 197 G HN 0.665 nan 8.290 nan 0.000 0.536 198 I N -1.806 118.689 120.570 -0.125 0.000 2.934 198 I HA 0.815 4.982 4.170 -0.004 0.000 0.306 198 I C 0.372 176.551 176.117 0.104 0.000 1.110 198 I CA -0.685 60.473 61.300 -0.237 0.000 1.019 198 I CB 1.997 39.682 38.000 -0.524 0.000 1.227 198 I HN 0.163 nan 8.210 nan 0.000 0.434 199 T N -0.298 114.250 114.554 -0.010 0.000 2.882 199 T HA 0.344 4.691 4.350 -0.004 0.000 0.287 199 T C -0.143 174.392 174.700 -0.275 0.000 1.014 199 T CA -0.640 61.335 62.100 -0.208 0.000 1.049 199 T CB 1.145 69.953 68.868 -0.100 0.000 1.001 199 T HN 0.774 nan 8.240 nan 0.000 0.525 200 D N 0.338 120.314 120.400 -0.708 0.000 2.447 200 D HA 0.028 4.666 4.640 -0.004 0.000 0.265 200 D C 0.999 177.229 176.300 -0.116 0.000 1.250 200 D CA -1.111 52.476 54.000 -0.688 0.000 1.046 200 D CB 0.083 40.413 40.800 -0.784 0.000 1.095 200 D HN 0.719 nan 8.370 nan 0.000 0.555 201 W N 0.111 121.351 121.300 -0.099 0.000 2.317 201 W HA -0.227 4.430 4.660 -0.004 0.000 0.318 201 W C 2.141 178.561 176.519 -0.166 0.000 1.227 201 W CA 2.351 59.633 57.345 -0.105 0.000 1.269 201 W CB -0.412 28.920 29.460 -0.215 0.000 1.155 201 W HN 0.184 nan 8.180 nan 0.000 0.484 202 V N -0.252 119.746 119.914 0.139 0.000 2.453 202 V HA -0.269 3.849 4.120 -0.004 0.000 0.247 202 V C 1.852 177.788 176.094 -0.263 0.000 1.048 202 V CA 1.908 64.180 62.300 -0.046 0.000 1.049 202 V CB -0.724 31.068 31.823 -0.052 0.000 0.672 202 V HN 0.290 nan 8.190 nan 0.000 0.457 203 Y N 0.727 120.858 120.300 -0.281 0.000 2.242 203 Y HA -0.182 4.365 4.550 -0.004 0.000 0.291 203 Y C 2.569 178.373 175.900 -0.159 0.000 1.137 203 Y CA 2.117 60.052 58.100 -0.274 0.000 1.181 203 Y CB -0.093 38.069 38.460 -0.497 0.000 0.989 203 Y HN 0.401 nan 8.280 nan 0.000 0.527 204 E N 0.430 120.604 120.200 -0.044 0.000 2.031 204 E HA -0.300 4.047 4.350 -0.004 0.000 0.193 204 E C 2.038 178.598 176.600 -0.067 0.000 0.994 204 E CA 1.623 58.021 56.400 -0.004 0.000 0.800 204 E CB -0.045 29.649 29.700 -0.010 0.000 0.752 204 E HN 0.409 nan 8.360 nan 0.000 0.447 205 E N 0.110 120.080 120.200 -0.383 0.000 2.072 205 E HA -0.153 4.194 4.350 -0.004 0.000 0.190 205 E C 1.612 178.104 176.600 -0.180 0.000 0.982 205 E CA 1.525 57.685 56.400 -0.400 0.000 0.803 205 E CB 0.187 29.295 29.700 -0.986 0.000 0.755 205 E HN 0.241 nan 8.360 nan 0.000 0.453 206 E N -0.969 119.102 120.200 -0.216 0.000 2.465 206 E HA 0.116 4.463 4.350 -0.004 0.000 0.209 206 E C 1.608 178.083 176.600 -0.209 0.000 0.951 206 E CA 0.333 56.647 56.400 -0.144 0.000 0.997 206 E CB 1.078 30.677 29.700 -0.169 0.000 1.025 206 E HN 0.191 nan 8.360 nan 0.000 0.500 207 V N -0.468 119.274 119.914 -0.286 0.000 2.870 207 V HA 0.064 4.182 4.120 -0.004 0.000 0.232 207 V C 1.436 177.304 176.094 -0.377 0.000 1.161 207 V CA 0.625 62.662 62.300 -0.438 0.000 1.204 207 V CB -0.263 31.146 31.823 -0.690 0.000 1.003 207 V HN 0.010 nan 8.190 nan 0.000 0.499 208 F N 0.712 120.687 119.950 0.042 0.000 2.698 208 F HA 0.268 4.793 4.527 -0.004 0.000 0.295 208 F C 1.589 177.367 175.800 -0.037 0.000 1.124 208 F CA 0.363 58.401 58.000 0.063 0.000 1.426 208 F CB -0.284 38.798 39.000 0.137 0.000 1.120 208 F HN 0.077 nan 8.300 nan 0.000 0.583 209 S N 0.456 116.185 115.700 0.048 0.000 3.614 209 S HA 0.010 4.478 4.470 -0.004 0.000 0.360 209 S C 0.024 174.215 174.600 -0.683 0.000 1.023 209 S CA 0.409 58.506 58.200 -0.171 0.000 1.114 209 S CB -1.702 61.453 63.200 -0.075 0.000 0.907 209 S HN 0.673 nan 8.310 nan 0.000 0.470 210 A N -0.569 122.074 122.820 -0.295 0.000 2.599 210 A HA 0.660 4.978 4.320 -0.004 0.000 0.294 210 A C -0.319 177.244 177.584 -0.036 0.000 1.055 210 A CA -0.486 51.405 52.037 -0.244 0.000 0.683 210 A CB 0.278 19.154 19.000 -0.207 0.000 1.278 210 A HN 0.307 nan 8.150 nan 0.000 0.412 211 Y N 1.876 122.016 120.300 -0.266 0.000 2.365 211 Y HA 0.117 4.665 4.550 -0.004 0.000 0.293 211 Y C 1.670 177.278 175.900 -0.486 0.000 1.119 211 Y CA 0.847 58.791 58.100 -0.260 0.000 1.203 211 Y CB -0.049 38.296 38.460 -0.192 0.000 1.026 211 Y HN 0.791 nan 8.280 nan 0.000 0.549 212 S N 0.787 115.948 115.700 -0.898 0.000 2.549 212 S HA 0.458 4.925 4.470 -0.004 0.000 0.283 212 S C 0.274 174.342 174.600 -0.887 0.000 1.320 212 S CA -0.088 57.360 58.200 -1.253 0.000 1.058 212 S CB 1.235 63.307 63.200 -1.881 0.000 0.882 212 S HN 0.430 nan 8.310 nan 0.000 0.498 213 A N 3.150 125.471 122.820 -0.832 0.000 2.959 213 A HA 0.560 4.878 4.320 -0.004 0.000 0.280 213 A C -0.436 176.451 177.584 -1.162 0.000 0.953 213 A CA -0.769 50.691 52.037 -0.962 0.000 1.047 213 A CB -0.604 18.276 19.000 -0.201 0.000 1.147 213 A HN 1.104 nan 8.150 nan 0.000 0.489 214 L N -5.010 115.378 121.223 -1.393 0.000 2.424 214 L HA 0.907 5.245 4.340 -0.004 0.000 0.258 214 L C -1.341 174.997 176.870 -0.887 0.000 0.995 214 L CA -1.149 53.163 54.840 -0.880 0.000 0.821 214 L CB 1.152 42.956 42.059 -0.426 0.000 1.383 214 L HN 0.228 nan 8.230 nan 0.000 0.410 215 W N 1.371 122.700 121.300 0.048 0.000 2.728 215 W HA 0.311 4.969 4.660 -0.004 0.000 0.324 215 W C -1.553 175.160 176.519 0.322 0.000 1.012 215 W CA -0.758 56.733 57.345 0.243 0.000 1.279 215 W CB 1.438 31.099 29.460 0.335 0.000 1.289 215 W HN 0.614 nan 8.180 nan 0.000 0.418 216 W N 2.604 124.101 121.300 0.328 0.000 2.190 216 W HA 0.201 4.858 4.660 -0.004 0.000 0.330 216 W C 1.394 177.756 176.519 -0.261 0.000 1.299 216 W CA 0.430 57.836 57.345 0.102 0.000 1.215 216 W CB 0.817 30.314 29.460 0.063 0.000 1.147 216 W HN 0.203 nan 8.180 nan 0.000 0.563 217 S N 2.840 118.269 115.700 -0.452 0.000 2.589 217 S HA 0.149 4.616 4.470 -0.004 0.000 0.265 217 S C -1.721 172.633 174.600 -0.410 0.000 1.342 217 S CA -0.951 56.458 58.200 -1.319 0.000 1.005 217 S CB 1.026 63.403 63.200 -1.371 0.000 0.909 217 S HN 0.298 nan 8.310 nan 0.000 0.555 218 P HA -0.122 nan 4.420 nan 0.000 0.216 218 P C 0.836 178.107 177.300 -0.048 0.000 1.150 218 P CA 1.513 64.582 63.100 -0.051 0.000 0.843 218 P CB -0.197 31.519 31.700 0.026 0.000 0.787 219 N N -2.002 116.654 118.700 -0.074 0.000 2.230 219 N HA 0.139 4.876 4.740 -0.004 0.000 0.202 219 N C 1.061 176.498 175.510 -0.122 0.000 1.119 219 N CA 0.437 53.440 53.050 -0.078 0.000 0.851 219 N CB -0.657 37.799 38.487 -0.053 0.000 0.990 219 N HN 0.145 nan 8.380 nan 0.000 0.497 220 G N -0.930 107.806 108.800 -0.107 0.000 2.159 220 G HA2 -0.329 3.629 3.960 -0.004 0.000 0.256 220 G HA3 -0.329 3.629 3.960 -0.004 0.000 0.256 220 G C 0.928 175.861 174.900 0.055 0.000 0.977 220 G CA 0.705 45.759 45.100 -0.075 0.000 0.652 220 G HN 0.365 nan 8.290 nan 0.000 0.531 221 T N -0.044 114.460 114.554 -0.082 0.000 2.708 221 T HA 0.172 4.519 4.350 -0.004 0.000 0.266 221 T C 0.836 175.383 174.700 -0.255 0.000 1.037 221 T CA 1.325 63.274 62.100 -0.252 0.000 1.146 221 T CB -0.101 68.473 68.868 -0.490 0.000 0.865 221 T HN 0.295 nan 8.240 nan 0.000 0.435 222 F N 0.350 120.326 119.950 0.044 0.000 2.425 222 F HA 0.603 5.128 4.527 -0.004 0.000 0.331 222 F C -0.200 175.663 175.800 0.104 0.000 1.085 222 F CA -1.569 56.494 58.000 0.105 0.000 1.028 222 F CB 1.099 40.227 39.000 0.214 0.000 1.177 222 F HN -0.090 nan 8.300 nan 0.000 0.487 223 L N 3.037 124.408 121.223 0.246 0.000 2.319 223 L HA 0.792 5.130 4.340 -0.004 0.000 0.281 223 L C -0.502 176.477 176.870 0.182 0.000 1.005 223 L CA -0.433 54.394 54.840 -0.022 0.000 0.828 223 L CB 0.701 42.466 42.059 -0.489 0.000 1.227 223 L HN 0.670 nan 8.230 nan 0.000 0.415 224 A N 4.764 127.767 122.820 0.306 0.000 2.304 224 A HA 0.759 5.077 4.320 -0.004 0.000 0.301 224 A C -1.358 176.324 177.584 0.162 0.000 1.132 224 A CA -0.200 51.903 52.037 0.111 0.000 0.819 224 A CB 0.513 19.654 19.000 0.235 0.000 1.094 224 A HN 0.890 nan 8.150 nan 0.000 0.492 225 Y N -1.940 118.175 120.300 -0.308 0.000 2.624 225 Y HA 0.720 5.268 4.550 -0.004 0.000 0.334 225 Y C -0.361 175.424 175.900 -0.192 0.000 1.155 225 Y CA -0.906 57.111 58.100 -0.139 0.000 1.046 225 Y CB 0.755 39.086 38.460 -0.214 0.000 1.316 225 Y HN 0.928 nan 8.280 nan 0.000 0.457 226 A N 2.317 125.228 122.820 0.151 0.000 2.306 226 A HA 0.672 4.990 4.320 -0.004 0.000 0.330 226 A C -1.038 176.422 177.584 -0.207 0.000 1.146 226 A CA -0.815 51.164 52.037 -0.097 0.000 0.827 226 A CB 1.581 20.468 19.000 -0.189 0.000 1.178 226 A HN 0.812 nan 8.150 nan 0.000 0.490 227 Q N 1.143 120.752 119.800 -0.318 0.000 2.310 227 Q HA 0.574 4.912 4.340 -0.004 0.000 0.270 227 Q C -2.054 173.699 176.000 -0.413 0.000 1.025 227 Q CA -0.369 55.329 55.803 -0.174 0.000 0.772 227 Q CB 0.951 29.815 28.738 0.211 0.000 1.253 227 Q HN 0.586 nan 8.270 nan 0.000 0.450 228 F N 2.466 122.519 119.950 0.172 0.000 2.436 228 F HA 0.390 4.914 4.527 -0.004 0.000 0.340 228 F C 0.480 176.442 175.800 0.269 0.000 1.113 228 F CA -0.920 57.167 58.000 0.145 0.000 1.022 228 F CB 1.193 40.190 39.000 -0.005 0.000 1.128 228 F HN 0.431 nan 8.300 nan 0.000 0.466 229 N N 2.225 121.146 118.700 0.369 0.000 2.476 229 N HA 0.201 4.939 4.740 -0.004 0.000 0.257 229 N C -0.844 174.846 175.510 0.299 0.000 0.970 229 N CA -0.286 52.942 53.050 0.297 0.000 0.938 229 N CB 0.936 39.544 38.487 0.202 0.000 1.144 229 N HN 0.558 nan 8.380 nan 0.000 0.500 230 D N 1.385 121.984 120.400 0.332 0.000 2.424 230 D HA 0.127 4.765 4.640 -0.004 0.000 0.220 230 D C 1.175 177.597 176.300 0.203 0.000 1.150 230 D CA 0.111 54.286 54.000 0.291 0.000 0.831 230 D CB 0.568 41.606 40.800 0.397 0.000 0.981 230 D HN 0.457 nan 8.370 nan 0.000 0.500 231 T N 0.419 115.071 114.554 0.163 0.000 2.653 231 T HA -0.212 4.135 4.350 -0.004 0.000 0.268 231 T C 1.266 176.024 174.700 0.097 0.000 1.035 231 T CA 1.340 63.508 62.100 0.114 0.000 1.154 231 T CB -0.058 68.866 68.868 0.093 0.000 0.862 231 T HN 0.340 nan 8.240 nan 0.000 0.441 232 E N 0.333 120.592 120.200 0.098 0.000 2.501 232 E HA 0.203 4.551 4.350 -0.004 0.000 0.200 232 E C -0.495 176.156 176.600 0.084 0.000 1.016 232 E CA -0.232 56.215 56.400 0.078 0.000 0.921 232 E CB 0.637 30.376 29.700 0.065 0.000 1.034 232 E HN 0.202 nan 8.360 nan 0.000 0.468 233 V N 3.694 123.673 119.914 0.108 0.000 2.508 233 V HA 0.101 4.219 4.120 -0.004 0.000 0.281 233 V C -1.983 174.169 176.094 0.097 0.000 1.041 233 V CA -1.486 60.882 62.300 0.113 0.000 1.016 233 V CB 0.283 32.194 31.823 0.146 0.000 0.984 233 V HN 0.044 nan 8.190 nan 0.000 0.478 234 P HA 0.248 nan 4.420 nan 0.000 0.270 234 P C -0.700 176.636 177.300 0.060 0.000 1.223 234 P CA -0.272 62.865 63.100 0.061 0.000 0.785 234 P CB 0.501 32.233 31.700 0.054 0.000 0.923 235 L N 2.154 123.390 121.223 0.022 0.000 2.289 235 L HA 0.409 4.747 4.340 -0.004 0.000 0.285 235 L C 0.473 177.292 176.870 -0.085 0.000 1.049 235 L CA -0.965 53.869 54.840 -0.010 0.000 0.804 235 L CB 0.865 42.913 42.059 -0.018 0.000 1.195 235 L HN 0.302 nan 8.230 nan 0.000 0.428 236 I N 2.796 123.267 120.570 -0.165 0.000 2.474 236 I HA 0.170 4.338 4.170 -0.004 0.000 0.287 236 I C -0.231 175.742 176.117 -0.239 0.000 1.048 236 I CA 0.396 61.498 61.300 -0.329 0.000 1.383 236 I CB 0.609 38.139 38.000 -0.783 0.000 1.412 236 I HN 0.574 nan 8.210 nan 0.000 0.531 237 E N 7.434 127.512 120.200 -0.203 0.000 2.234 237 E HA 0.499 4.847 4.350 -0.004 0.000 0.266 237 E C -1.751 174.786 176.600 -0.105 0.000 0.877 237 E CA -0.600 55.681 56.400 -0.198 0.000 0.758 237 E CB 2.009 31.622 29.700 -0.145 0.000 1.170 237 E HN 0.574 nan 8.360 nan 0.000 0.415 238 Y N -1.735 118.482 120.300 -0.137 0.000 2.638 238 Y HA 0.559 5.107 4.550 -0.004 0.000 0.335 238 Y C -0.734 175.099 175.900 -0.111 0.000 1.155 238 Y CA -1.263 56.763 58.100 -0.124 0.000 1.046 238 Y CB 0.908 39.302 38.460 -0.110 0.000 1.303 238 Y HN 0.204 nan 8.280 nan 0.000 0.460 239 S N 1.781 117.473 115.700 -0.013 0.000 2.565 239 S HA 0.492 4.959 4.470 -0.004 0.000 0.274 239 S C -1.441 173.002 174.600 -0.261 0.000 1.309 239 S CA -0.403 57.641 58.200 -0.260 0.000 1.043 239 S CB 0.461 63.364 63.200 -0.495 0.000 0.939 239 S HN 0.531 nan 8.310 nan 0.000 0.504 240 F N 2.273 121.957 119.950 -0.443 0.000 2.477 240 F HA 0.421 4.946 4.527 -0.004 0.000 0.335 240 F C -0.175 175.398 175.800 -0.378 0.000 1.130 240 F CA -0.834 56.987 58.000 -0.299 0.000 0.948 240 F CB 0.813 39.775 39.000 -0.064 0.000 1.154 240 F HN 0.671 nan 8.300 nan 0.000 0.439 241 Y N 2.675 122.784 120.300 -0.318 0.000 2.365 241 Y HA 0.098 4.646 4.550 -0.004 0.000 0.293 241 Y C 1.717 177.567 175.900 -0.084 0.000 1.119 241 Y CA 1.154 59.155 58.100 -0.164 0.000 1.203 241 Y CB -0.454 37.890 38.460 -0.194 0.000 1.026 241 Y HN 0.732 nan 8.280 nan 0.000 0.549 242 S N -0.389 115.269 115.700 -0.069 0.000 3.633 242 S HA -0.257 4.210 4.470 -0.004 0.000 0.637 242 S C -0.266 174.396 174.600 0.103 0.000 2.289 242 S CA 0.091 58.389 58.200 0.162 0.000 2.476 242 S CB -1.270 62.108 63.200 0.297 0.000 0.330 242 S HN 0.508 nan 8.310 nan 0.000 1.787 243 D N 1.543 122.016 120.400 0.122 0.000 2.378 243 D HA 0.106 4.744 4.640 -0.004 0.000 0.238 243 D C 1.557 177.895 176.300 0.063 0.000 1.180 243 D CA 0.745 54.794 54.000 0.081 0.000 0.895 243 D CB 0.558 41.405 40.800 0.078 0.000 1.192 243 D HN 0.659 nan 8.370 nan 0.000 0.438 244 E N 0.104 120.328 120.200 0.040 0.000 2.265 244 E HA -0.184 4.163 4.350 -0.004 0.000 0.196 244 E C 1.418 178.034 176.600 0.025 0.000 0.996 244 E CA 1.153 57.567 56.400 0.025 0.000 0.832 244 E CB -0.011 29.693 29.700 0.007 0.000 0.756 244 E HN 0.334 nan 8.360 nan 0.000 0.491 245 S N 0.780 116.501 115.700 0.035 0.000 2.419 245 S HA -0.158 4.309 4.470 -0.004 0.000 0.233 245 S C 1.028 175.653 174.600 0.042 0.000 1.016 245 S CA 0.325 58.546 58.200 0.034 0.000 0.974 245 S CB -0.466 62.757 63.200 0.039 0.000 0.786 245 S HN 0.337 nan 8.310 nan 0.000 0.492 246 L N 2.532 123.790 121.223 0.059 0.000 2.433 246 L HA 0.250 4.588 4.340 -0.004 0.000 0.275 246 L C 1.411 178.315 176.870 0.056 0.000 1.128 246 L CA 0.166 55.052 54.840 0.076 0.000 0.875 246 L CB 0.472 42.594 42.059 0.104 0.000 1.171 246 L HN 0.294 nan 8.230 nan 0.000 0.463 247 Q N 3.963 123.796 119.800 0.055 0.000 2.049 247 Q HA -0.073 4.265 4.340 -0.004 0.000 0.198 247 Q C -0.483 175.429 176.000 -0.147 0.000 0.971 247 Q CA 1.288 57.067 55.803 -0.040 0.000 0.833 247 Q CB 0.120 28.849 28.738 -0.015 0.000 0.896 247 Q HN 0.684 nan 8.270 nan 0.000 0.434 248 Y N 0.740 121.057 120.300 0.028 0.000 2.352 248 Y HA 0.382 4.930 4.550 -0.004 0.000 0.339 248 Y C -2.018 173.898 175.900 0.026 0.000 0.992 248 Y CA -2.897 55.217 58.100 0.023 0.000 1.100 248 Y CB 1.294 39.759 38.460 0.008 0.000 1.192 248 Y HN 0.177 nan 8.280 nan 0.000 0.458 249 P HA 0.019 nan 4.420 nan 0.000 0.269 249 P C -0.783 176.534 177.300 0.029 0.000 1.215 249 P CA -0.514 62.616 63.100 0.051 0.000 0.780 249 P CB 0.685 32.357 31.700 -0.047 0.000 0.898 250 K N 1.136 121.537 120.400 0.002 0.000 2.143 250 K HA 0.297 4.615 4.320 -0.004 0.000 0.272 250 K C -0.745 175.812 176.600 -0.071 0.000 1.001 250 K CA -0.296 55.989 56.287 -0.003 0.000 0.915 250 K CB 0.483 33.008 32.500 0.041 0.000 1.047 250 K HN 0.335 nan 8.250 nan 0.000 0.458 251 T N 3.293 117.792 114.554 -0.093 0.000 2.738 251 T HA 0.187 4.535 4.350 -0.004 0.000 0.298 251 T C -0.369 174.208 174.700 -0.204 0.000 0.962 251 T CA -0.611 61.398 62.100 -0.152 0.000 0.972 251 T CB 0.910 69.704 68.868 -0.124 0.000 0.928 251 T HN 0.304 nan 8.240 nan 0.000 0.474 252 V N 5.781 125.480 119.914 -0.357 0.000 2.530 252 V HA 0.359 4.477 4.120 -0.004 0.000 0.282 252 V C 0.516 176.348 176.094 -0.437 0.000 1.048 252 V CA -0.339 61.696 62.300 -0.441 0.000 0.997 252 V CB 0.507 31.897 31.823 -0.722 0.000 0.987 252 V HN 0.723 nan 8.190 nan 0.000 0.477 253 R N 3.767 124.138 120.500 -0.214 0.000 2.451 253 R HA 0.686 5.024 4.340 -0.004 0.000 0.307 253 R C -1.698 174.590 176.300 -0.019 0.000 0.965 253 R CA -0.587 55.432 56.100 -0.136 0.000 0.865 253 R CB 2.154 32.402 30.300 -0.086 0.000 1.174 253 R HN 0.495 nan 8.270 nan 0.000 0.455 254 V N 4.006 123.908 119.914 -0.019 0.000 2.531 254 V HA 0.327 4.445 4.120 -0.004 0.000 0.301 254 V C -2.327 173.817 176.094 0.082 0.000 1.034 254 V CA -2.518 59.833 62.300 0.086 0.000 0.865 254 V CB 2.119 33.947 31.823 0.008 0.000 0.995 254 V HN 0.594 nan 8.190 nan 0.000 0.424 255 P HA 0.129 nan 4.420 nan 0.000 0.261 255 P C -1.290 176.115 177.300 0.175 0.000 1.203 255 P CA 0.391 63.598 63.100 0.179 0.000 0.767 255 P CB -0.188 31.664 31.700 0.254 0.000 0.785 256 Y N 6.373 126.651 120.300 -0.037 0.000 2.301 256 Y HA 0.365 4.913 4.550 -0.004 0.000 0.325 256 Y C -2.784 173.086 175.900 -0.050 0.000 1.103 256 Y CA -2.854 55.170 58.100 -0.125 0.000 1.182 256 Y CB 1.764 40.028 38.460 -0.328 0.000 1.139 256 Y HN 0.271 nan 8.280 nan 0.000 0.443 257 P HA 0.276 nan 4.420 nan 0.000 0.287 257 P C -0.873 176.491 177.300 0.108 0.000 1.307 257 P CA -0.219 62.931 63.100 0.085 0.000 0.777 257 P CB 1.334 33.064 31.700 0.050 0.000 0.883 258 K N 1.974 122.515 120.400 0.234 0.000 2.120 258 K HA 0.495 4.813 4.320 -0.004 0.000 0.245 258 K C 0.588 177.290 176.600 0.171 0.000 1.024 258 K CA -0.687 55.752 56.287 0.254 0.000 0.906 258 K CB 0.462 33.120 32.500 0.264 0.000 1.051 258 K HN 0.451 nan 8.250 nan 0.000 0.491 259 A N 0.726 123.671 122.820 0.208 0.000 2.566 259 A HA 0.306 4.624 4.320 -0.004 0.000 0.245 259 A C 1.182 178.801 177.584 0.059 0.000 1.056 259 A CA 0.924 53.069 52.037 0.180 0.000 0.757 259 A CB -1.143 18.058 19.000 0.335 0.000 0.979 259 A HN 0.891 nan 8.150 nan 0.000 0.508 260 G N 0.941 109.766 108.800 0.041 0.000 2.205 260 G HA2 0.101 4.059 3.960 -0.004 0.000 0.261 260 G HA3 0.101 4.059 3.960 -0.004 0.000 0.261 260 G C 0.690 175.601 174.900 0.019 0.000 0.980 260 G CA 0.712 45.809 45.100 -0.004 0.000 0.632 260 G HN 2.153 nan 8.290 nan 0.000 0.533 261 A N -0.314 122.535 122.820 0.049 0.000 2.280 261 A HA 0.725 5.043 4.320 -0.004 0.000 0.268 261 A C 0.889 178.506 177.584 0.054 0.000 1.111 261 A CA 0.340 52.409 52.037 0.055 0.000 0.814 261 A CB 0.604 19.652 19.000 0.079 0.000 1.093 261 A HN 1.168 nan 8.150 nan 0.000 0.498 262 V N 2.455 122.402 119.914 0.055 0.000 2.485 262 V HA 0.015 4.132 4.120 -0.004 0.000 0.287 262 V C 0.380 176.521 176.094 0.079 0.000 1.022 262 V CA -0.050 62.284 62.300 0.058 0.000 1.067 262 V CB -0.279 31.578 31.823 0.057 0.000 0.967 262 V HN 0.788 nan 8.190 nan 0.000 0.479 263 N N 6.492 125.239 118.700 0.079 0.000 2.493 263 N HA 0.435 5.172 4.740 -0.004 0.000 0.275 263 N C -2.320 173.280 175.510 0.150 0.000 1.186 263 N CA -1.503 51.617 53.050 0.117 0.000 0.978 263 N CB 1.000 39.552 38.487 0.109 0.000 1.184 263 N HN 0.391 nan 8.380 nan 0.000 0.487 264 P HA 0.061 nan 4.420 nan 0.000 0.270 264 P C -0.386 177.081 177.300 0.279 0.000 1.223 264 P CA -0.079 63.190 63.100 0.282 0.000 0.785 264 P CB 0.306 32.235 31.700 0.382 0.000 0.923 265 T N -1.671 113.028 114.554 0.241 0.000 2.948 265 T HA 0.612 4.960 4.350 -0.004 0.000 0.285 265 T C -0.347 174.498 174.700 0.242 0.000 1.019 265 T CA -0.866 61.337 62.100 0.172 0.000 1.013 265 T CB 1.514 70.440 68.868 0.098 0.000 1.117 265 T HN 0.338 nan 8.240 nan 0.000 0.533 266 V N 0.373 120.405 119.914 0.197 0.000 2.888 266 V HA 0.717 4.834 4.120 -0.004 0.000 0.309 266 V C -1.533 174.657 176.094 0.159 0.000 1.114 266 V CA -0.830 61.564 62.300 0.156 0.000 0.940 266 V CB 2.084 34.060 31.823 0.256 0.000 1.021 266 V HN 1.049 nan 8.190 nan 0.000 0.426 267 K N 4.509 124.931 120.400 0.036 0.000 2.395 267 K HA 0.606 4.923 4.320 -0.004 0.000 0.247 267 K C -1.885 174.630 176.600 -0.141 0.000 0.973 267 K CA -0.552 55.715 56.287 -0.035 0.000 0.828 267 K CB 2.855 35.293 32.500 -0.102 0.000 1.272 267 K HN 0.542 nan 8.250 nan 0.000 0.439 268 F N 1.967 121.618 119.950 -0.499 0.000 2.540 268 F HA 0.572 5.097 4.527 -0.004 0.000 0.317 268 F C -1.536 173.747 175.800 -0.863 0.000 1.104 268 F CA -0.705 56.989 58.000 -0.510 0.000 0.913 268 F CB 0.906 39.725 39.000 -0.300 0.000 1.170 268 F HN 0.392 nan 8.300 nan 0.000 0.450 269 F N 3.895 123.079 119.950 -1.277 0.000 2.613 269 F HA 0.758 5.283 4.527 -0.004 0.000 0.314 269 F C -1.019 174.112 175.800 -1.114 0.000 1.075 269 F CA -1.205 56.171 58.000 -1.041 0.000 0.945 269 F CB 2.153 40.475 39.000 -1.130 0.000 1.310 269 F HN 0.146 nan 8.300 nan 0.000 0.467 270 V N 2.471 122.162 119.914 -0.371 0.000 2.638 270 V HA 0.614 4.731 4.120 -0.004 0.000 0.306 270 V C -1.132 175.059 176.094 0.162 0.000 1.052 270 V CA -0.840 61.343 62.300 -0.194 0.000 0.885 270 V CB 1.897 33.421 31.823 -0.497 0.000 0.999 270 V HN 0.608 nan 8.190 nan 0.000 0.424 271 V N 4.128 124.205 119.914 0.272 0.000 2.628 271 V HA 0.512 4.629 4.120 -0.004 0.000 0.306 271 V C -0.057 176.272 176.094 0.392 0.000 1.045 271 V CA -0.645 61.842 62.300 0.313 0.000 0.905 271 V CB 1.994 33.941 31.823 0.206 0.000 0.997 271 V HN 1.014 nan 8.190 nan 0.000 0.436 272 N N 3.159 122.063 118.700 0.340 0.000 2.439 272 N HA 0.124 4.862 4.740 -0.004 0.000 0.243 272 N C 1.307 176.813 175.510 -0.006 0.000 1.088 272 N CA 0.389 53.504 53.050 0.108 0.000 0.940 272 N CB 1.072 39.595 38.487 0.060 0.000 1.180 272 N HN 0.893 nan 8.380 nan 0.000 0.505 273 T N 0.240 114.783 114.554 -0.019 0.000 2.962 273 T HA -0.101 4.247 4.350 -0.004 0.000 0.270 273 T C 0.976 175.630 174.700 -0.076 0.000 1.088 273 T CA 0.902 62.997 62.100 -0.009 0.000 1.127 273 T CB -0.008 68.953 68.868 0.155 0.000 0.883 273 T HN 0.368 nan 8.240 nan 0.000 0.493 274 D N 1.919 122.249 120.400 -0.117 0.000 2.310 274 D HA -0.037 4.600 4.640 -0.004 0.000 0.212 274 D C 2.262 178.497 176.300 -0.109 0.000 0.965 274 D CA 1.330 55.258 54.000 -0.119 0.000 0.879 274 D CB -0.224 40.484 40.800 -0.153 0.000 0.921 274 D HN 0.703 nan 8.370 nan 0.000 0.510 275 S N -0.683 114.954 115.700 -0.105 0.000 2.548 275 S HA 0.082 4.549 4.470 -0.004 0.000 0.215 275 S C 1.995 176.516 174.600 -0.130 0.000 0.976 275 S CA -0.205 57.949 58.200 -0.077 0.000 0.908 275 S CB -0.217 62.969 63.200 -0.024 0.000 0.781 275 S HN 0.169 nan 8.310 nan 0.000 0.519 276 L N 2.360 123.436 121.223 -0.245 0.000 2.079 276 L HA -0.090 4.248 4.340 -0.004 0.000 0.210 276 L C 2.835 179.381 176.870 -0.540 0.000 1.081 276 L CA 1.582 56.118 54.840 -0.506 0.000 0.752 276 L CB -0.722 40.792 42.059 -0.908 0.000 0.896 276 L HN 0.586 nan 8.230 nan 0.000 0.433 277 S N -2.931 112.572 115.700 -0.328 0.000 2.603 277 S HA 0.033 4.500 4.470 -0.004 0.000 0.220 277 S C 1.667 176.272 174.600 0.008 0.000 0.967 277 S CA 0.500 58.664 58.200 -0.060 0.000 0.920 277 S CB 0.351 63.575 63.200 0.041 0.000 0.773 277 S HN 0.231 nan 8.310 nan 0.000 0.529 278 S N 0.564 116.247 115.700 -0.028 0.000 2.506 278 S HA 0.352 4.820 4.470 -0.004 0.000 0.219 278 S C 0.430 175.040 174.600 0.016 0.000 1.031 278 S CA 0.136 58.338 58.200 0.004 0.000 0.911 278 S CB 0.733 63.931 63.200 -0.004 0.000 0.812 278 S HN 0.636 nan 8.310 nan 0.000 0.497 279 V N -0.501 119.418 119.914 0.009 0.000 2.823 279 V HA 0.596 4.714 4.120 -0.004 0.000 0.312 279 V C 1.106 177.232 176.094 0.053 0.000 1.072 279 V CA -0.443 61.874 62.300 0.028 0.000 0.937 279 V CB 1.223 33.061 31.823 0.025 0.000 1.013 279 V HN 0.094 nan 8.190 nan 0.000 0.430 280 T N 1.104 115.695 114.554 0.062 0.000 2.915 280 T HA -0.058 4.290 4.350 -0.004 0.000 0.269 280 T C 0.776 175.545 174.700 0.114 0.000 1.071 280 T CA 1.998 64.152 62.100 0.090 0.000 1.132 280 T CB -0.509 68.396 68.868 0.062 0.000 0.878 280 T HN 0.905 nan 8.240 nan 0.000 0.479 281 N N 0.536 119.284 118.700 0.080 0.000 2.732 281 N HA 0.446 5.184 4.740 -0.004 0.000 0.247 281 N C -0.960 174.597 175.510 0.078 0.000 1.305 281 N CA -0.053 53.054 53.050 0.096 0.000 0.762 281 N CB 0.943 39.426 38.487 -0.008 0.000 1.361 281 N HN 0.391 nan 8.380 nan 0.000 0.545 282 A N 1.461 124.332 122.820 0.085 0.000 2.540 282 A HA 0.339 4.656 4.320 -0.004 0.000 0.239 282 A C 0.361 178.006 177.584 0.100 0.000 1.061 282 A CA 0.400 52.481 52.037 0.072 0.000 0.758 282 A CB -0.087 18.936 19.000 0.040 0.000 0.991 282 A HN 0.493 nan 8.150 nan 0.000 0.502 283 T N 2.799 117.419 114.554 0.110 0.000 2.794 283 T HA 0.295 4.642 4.350 -0.004 0.000 0.296 283 T C 0.471 175.270 174.700 0.165 0.000 0.949 283 T CA 0.169 62.343 62.100 0.123 0.000 1.101 283 T CB 0.522 69.465 68.868 0.125 0.000 0.905 283 T HN 0.562 nan 8.240 nan 0.000 0.516 284 S N 4.005 119.792 115.700 0.144 0.000 2.448 284 S HA 0.277 4.744 4.470 -0.004 0.000 0.279 284 S C 0.342 175.101 174.600 0.265 0.000 1.195 284 S CA -0.721 57.583 58.200 0.173 0.000 1.051 284 S CB -0.047 63.174 63.200 0.035 0.000 0.948 284 S HN 0.427 nan 8.310 nan 0.000 0.493 285 I N 3.725 124.468 120.570 0.288 0.000 2.352 285 I HA 0.216 4.383 4.170 -0.004 0.000 0.290 285 I C 0.686 176.929 176.117 0.210 0.000 1.036 285 I CA -0.167 61.309 61.300 0.293 0.000 1.336 285 I CB 0.655 38.901 38.000 0.410 0.000 1.407 285 I HN 0.645 nan 8.210 nan 0.000 0.497 286 Q N 6.107 125.999 119.800 0.153 0.000 2.288 286 Q HA 0.435 4.772 4.340 -0.004 0.000 0.254 286 Q C -0.980 174.963 176.000 -0.096 0.000 0.932 286 Q CA -0.343 55.344 55.803 -0.193 0.000 0.902 286 Q CB 1.119 29.694 28.738 -0.272 0.000 1.203 286 Q HN 0.544 nan 8.270 nan 0.000 0.415 287 I N 3.986 124.488 120.570 -0.114 0.000 2.354 287 I HA 0.202 4.370 4.170 -0.004 0.000 0.286 287 I C 0.181 176.308 176.117 0.017 0.000 1.007 287 I CA -0.667 60.644 61.300 0.019 0.000 1.167 287 I CB 1.544 39.597 38.000 0.087 0.000 1.320 287 I HN 0.660 nan 8.210 nan 0.000 0.458 288 T N 3.066 117.587 114.554 -0.055 0.000 2.909 288 T HA 0.648 4.996 4.350 -0.004 0.000 0.289 288 T C 0.395 174.906 174.700 -0.315 0.000 1.005 288 T CA -0.857 61.152 62.100 -0.152 0.000 1.084 288 T CB 1.584 70.360 68.868 -0.154 0.000 0.975 288 T HN 0.598 nan 8.240 nan 0.000 0.509 289 A N 4.051 126.432 122.820 -0.733 0.000 2.466 289 A HA 0.491 4.809 4.320 -0.004 0.000 0.238 289 A C -1.748 175.352 177.584 -0.806 0.000 1.074 289 A CA -1.246 49.917 52.037 -1.457 0.000 0.774 289 A CB -0.794 17.010 19.000 -1.993 0.000 1.015 289 A HN 0.807 nan 8.150 nan 0.000 0.498 290 P HA 0.146 nan 4.420 nan 0.000 0.270 290 P C 0.808 177.896 177.300 -0.353 0.000 1.223 290 P CA 0.562 63.427 63.100 -0.391 0.000 0.785 290 P CB 0.671 32.207 31.700 -0.273 0.000 0.923 291 A N 2.475 125.160 122.820 -0.227 0.000 1.948 291 A HA -0.223 4.094 4.320 -0.004 0.000 0.220 291 A C 2.210 179.693 177.584 -0.169 0.000 1.177 291 A CA 2.529 54.457 52.037 -0.181 0.000 0.636 291 A CB -1.822 17.105 19.000 -0.122 0.000 0.815 291 A HN 0.678 nan 8.150 nan 0.000 0.449 292 S N -1.459 114.159 115.700 -0.137 0.000 2.469 292 S HA -0.082 4.385 4.470 -0.004 0.000 0.238 292 S C 1.728 176.256 174.600 -0.120 0.000 0.998 292 S CA 1.517 59.661 58.200 -0.094 0.000 0.957 292 S CB -0.283 62.933 63.200 0.026 0.000 0.764 292 S HN 0.416 nan 8.310 nan 0.000 0.514 293 M N 0.774 120.232 119.600 -0.237 0.000 2.556 293 M HA 0.354 4.831 4.480 -0.004 0.000 0.264 293 M C 2.028 178.084 176.300 -0.406 0.000 1.163 293 M CA 0.690 55.781 55.300 -0.349 0.000 1.186 293 M CB -1.141 31.080 32.600 -0.632 0.000 1.321 293 M HN 0.320 nan 8.290 nan 0.000 0.485 294 L N 1.030 122.002 121.223 -0.418 0.000 2.265 294 L HA -0.149 4.189 4.340 -0.004 0.000 0.215 294 L C 2.338 179.153 176.870 -0.092 0.000 1.117 294 L CA 0.655 55.346 54.840 -0.247 0.000 0.782 294 L CB -0.927 40.991 42.059 -0.235 0.000 0.914 294 L HN 0.312 nan 8.230 nan 0.000 0.441 295 I N -2.328 118.182 120.570 -0.100 0.000 2.530 295 I HA 0.001 4.168 4.170 -0.004 0.000 0.257 295 I C 1.110 177.208 176.117 -0.031 0.000 1.179 295 I CA 1.006 62.268 61.300 -0.064 0.000 1.440 295 I CB -0.579 37.372 38.000 -0.081 0.000 1.087 295 I HN 0.125 nan 8.210 nan 0.000 0.440 296 G N -0.099 108.703 108.800 0.002 0.000 2.706 296 G HA2 0.286 4.244 3.960 -0.004 0.000 0.307 296 G HA3 0.286 4.244 3.960 -0.004 0.000 0.307 296 G C -1.800 173.149 174.900 0.082 0.000 1.307 296 G CA -0.582 44.530 45.100 0.020 0.000 0.790 296 G HN 0.032 nan 8.290 nan 0.000 0.503 297 D N 1.265 121.663 120.400 -0.004 0.000 2.455 297 D HA 0.400 5.037 4.640 -0.004 0.000 0.241 297 D C 0.401 176.629 176.300 -0.119 0.000 1.138 297 D CA 0.789 54.725 54.000 -0.107 0.000 0.877 297 D CB 0.361 41.073 40.800 -0.147 0.000 1.187 297 D HN 0.538 nan 8.370 nan 0.000 0.451 298 H N -0.638 118.287 119.070 -0.242 0.000 2.960 298 H HA 0.445 4.999 4.556 -0.004 0.000 0.323 298 H C -1.375 173.790 175.328 -0.271 0.000 1.326 298 H CA -0.826 55.077 56.048 -0.242 0.000 1.124 298 H CB 0.362 30.116 29.762 -0.013 0.000 1.853 298 H HN 0.278 nan 8.280 nan 0.000 0.536 299 Y N 0.089 120.625 120.300 0.394 0.000 2.512 299 Y HA 0.378 4.925 4.550 -0.004 0.000 0.348 299 Y C -0.306 175.895 175.900 0.502 0.000 0.990 299 Y CA -1.158 57.181 58.100 0.398 0.000 1.033 299 Y CB 1.921 40.453 38.460 0.119 0.000 1.259 299 Y HN 0.474 nan 8.280 nan 0.000 0.461 300 L N 3.325 124.922 121.223 0.623 0.000 2.281 300 L HA 0.352 4.690 4.340 -0.004 0.000 0.285 300 L C 0.489 177.421 176.870 0.102 0.000 1.074 300 L CA -0.132 54.744 54.840 0.060 0.000 0.817 300 L CB 0.281 42.280 42.059 -0.099 0.000 1.168 300 L HN 0.997 nan 8.230 nan 0.000 0.434 301 C N 1.385 120.600 119.300 -0.142 0.000 3.392 301 C HA 0.506 4.963 4.460 -0.004 0.000 0.301 301 C C 0.178 175.006 174.990 -0.270 0.000 1.354 301 C CA -0.442 58.413 59.018 -0.272 0.000 1.732 301 C CB -0.675 26.972 27.740 -0.155 0.000 2.269 301 C HN 0.841 nan 8.230 nan 0.000 0.673 302 D N 0.224 120.501 120.400 -0.205 0.000 2.803 302 D HA 0.446 5.084 4.640 -0.004 0.000 0.218 302 D C -1.866 174.185 176.300 -0.415 0.000 1.245 302 D CA 0.102 54.010 54.000 -0.153 0.000 0.821 302 D CB 2.839 43.532 40.800 -0.178 0.000 1.626 302 D HN 0.052 nan 8.370 nan 0.000 0.487 303 V N 2.377 121.978 119.914 -0.522 0.000 2.525 303 V HA 0.541 4.658 4.120 -0.004 0.000 0.299 303 V C -0.474 175.238 176.094 -0.638 0.000 1.034 303 V CA -0.384 61.352 62.300 -0.941 0.000 0.863 303 V CB 1.937 32.636 31.823 -1.873 0.000 0.999 303 V HN 0.637 nan 8.190 nan 0.000 0.423 304 T N 3.565 117.833 114.554 -0.477 0.000 3.031 304 T HA 0.337 4.684 4.350 -0.004 0.000 0.305 304 T C -0.845 173.721 174.700 -0.223 0.000 0.985 304 T CA -0.469 61.516 62.100 -0.192 0.000 1.008 304 T CB 0.756 69.596 68.868 -0.047 0.000 1.005 304 T HN 0.521 nan 8.240 nan 0.000 0.444 305 W N 2.170 123.412 121.300 -0.097 0.000 2.210 305 W HA 0.452 5.109 4.660 -0.004 0.000 0.330 305 W C 1.169 177.561 176.519 -0.211 0.000 1.334 305 W CA -0.234 57.045 57.345 -0.110 0.000 1.227 305 W CB 0.538 30.018 29.460 0.034 0.000 1.178 305 W HN 0.847 nan 8.180 nan 0.000 0.560 306 A N 2.015 124.716 122.820 -0.198 0.000 1.920 306 A HA 0.194 4.511 4.320 -0.004 0.000 0.209 306 A C 0.907 178.450 177.584 -0.067 0.000 1.229 306 A CA 1.488 53.181 52.037 -0.573 0.000 0.671 306 A CB -0.353 17.853 19.000 -1.322 0.000 0.886 306 A HN 0.530 nan 8.150 nan 0.000 0.461 307 T N -5.441 109.174 114.554 0.102 0.000 2.654 307 T HA 0.347 4.694 4.350 -0.004 0.000 0.289 307 T C 0.206 175.071 174.700 0.276 0.000 1.062 307 T CA -0.346 61.857 62.100 0.172 0.000 1.041 307 T CB 0.712 69.664 68.868 0.141 0.000 1.417 307 T HN -0.016 nan 8.240 nan 0.000 0.510 308 Q N 0.360 120.286 119.800 0.209 0.000 2.226 308 Q HA -0.014 4.324 4.340 -0.004 0.000 0.204 308 Q C 0.787 177.038 176.000 0.418 0.000 0.975 308 Q CA 1.533 57.462 55.803 0.211 0.000 0.866 308 Q CB -0.149 28.676 28.738 0.145 0.000 0.915 308 Q HN 0.831 nan 8.270 nan 0.000 0.440 309 E N -0.188 120.268 120.200 0.427 0.000 2.876 309 E HA 0.212 4.560 4.350 -0.004 0.000 0.208 309 E C -0.273 176.615 176.600 0.480 0.000 0.981 309 E CA -0.175 56.504 56.400 0.465 0.000 1.174 309 E CB 0.988 30.861 29.700 0.288 0.000 1.047 309 E HN -0.029 nan 8.360 nan 0.000 0.477 310 R N 1.633 122.436 120.500 0.506 0.000 2.515 310 R HA 0.494 4.832 4.340 -0.004 0.000 0.291 310 R C -1.794 174.528 176.300 0.037 0.000 1.046 310 R CA -0.441 55.815 56.100 0.261 0.000 0.914 310 R CB 1.269 31.611 30.300 0.071 0.000 1.191 310 R HN 0.088 nan 8.270 nan 0.000 0.435 311 I N 3.198 123.608 120.570 -0.267 0.000 2.569 311 I HA 0.448 4.616 4.170 -0.004 0.000 0.296 311 I C -0.806 174.989 176.117 -0.536 0.000 1.028 311 I CA -0.503 60.362 61.300 -0.724 0.000 1.082 311 I CB 2.172 39.271 38.000 -1.501 0.000 1.264 311 I HN 0.833 nan 8.210 nan 0.000 0.429 312 S N 7.691 123.068 115.700 -0.538 0.000 2.501 312 S HA 0.765 5.233 4.470 -0.004 0.000 0.301 312 S C -0.993 173.283 174.600 -0.541 0.000 1.096 312 S CA -0.725 57.232 58.200 -0.405 0.000 1.063 312 S CB 1.453 64.527 63.200 -0.209 0.000 1.042 312 S HN 0.549 nan 8.310 nan 0.000 0.494 313 L N 2.071 122.981 121.223 -0.522 0.000 2.408 313 L HA 0.548 4.886 4.340 -0.004 0.000 0.268 313 L C -0.400 176.148 176.870 -0.538 0.000 0.986 313 L CA -0.761 53.652 54.840 -0.712 0.000 0.820 313 L CB 2.074 43.562 42.059 -0.950 0.000 1.303 313 L HN 0.672 nan 8.230 nan 0.000 0.411 314 Q N 1.601 121.065 119.800 -0.560 0.000 2.282 314 Q HA 0.466 4.804 4.340 -0.004 0.000 0.260 314 Q C -1.710 174.044 176.000 -0.410 0.000 0.964 314 Q CA -0.540 55.056 55.803 -0.345 0.000 0.880 314 Q CB 2.409 31.010 28.738 -0.228 0.000 1.286 314 Q HN 0.421 nan 8.270 nan 0.000 0.445 315 W N 2.266 123.515 121.300 -0.085 0.000 2.689 315 W HA 0.596 5.253 4.660 -0.004 0.000 0.340 315 W C -0.977 175.567 176.519 0.042 0.000 1.060 315 W CA -0.679 56.664 57.345 -0.003 0.000 1.218 315 W CB 1.104 30.540 29.460 -0.040 0.000 1.410 315 W HN 0.366 nan 8.180 nan 0.000 0.528 316 L N 3.053 124.499 121.223 0.371 0.000 2.385 316 L HA 0.560 4.898 4.340 -0.004 0.000 0.273 316 L C -0.007 177.049 176.870 0.309 0.000 0.990 316 L CA -1.209 53.812 54.840 0.300 0.000 0.821 316 L CB 1.216 43.443 42.059 0.280 0.000 1.279 316 L HN 0.395 nan 8.230 nan 0.000 0.412 317 R N 2.725 123.372 120.500 0.244 0.000 2.694 317 R HA 0.157 4.495 4.340 -0.004 0.000 0.268 317 R C 1.052 177.404 176.300 0.086 0.000 1.061 317 R CA -0.091 56.099 56.100 0.150 0.000 1.133 317 R CB 0.516 30.901 30.300 0.142 0.000 1.020 317 R HN 0.647 nan 8.270 nan 0.000 0.475 318 R N 1.565 122.018 120.500 -0.078 0.000 2.127 318 R HA -0.092 4.245 4.340 -0.004 0.000 0.238 318 R C 0.403 176.750 176.300 0.078 0.000 1.134 318 R CA 1.147 57.190 56.100 -0.095 0.000 0.975 318 R CB 0.160 30.356 30.300 -0.174 0.000 0.865 318 R HN 0.386 nan 8.270 nan 0.000 0.447 319 I N 2.753 123.355 120.570 0.054 0.000 2.347 319 I HA -0.007 4.160 4.170 -0.004 0.000 0.294 319 I C 0.288 176.464 176.117 0.098 0.000 1.090 319 I CA 0.552 61.889 61.300 0.062 0.000 1.314 319 I CB 0.973 38.994 38.000 0.036 0.000 1.423 319 I HN 0.281 nan 8.210 nan 0.000 0.503 320 Q N 4.538 124.394 119.800 0.093 0.000 2.294 320 Q HA 0.008 4.346 4.340 -0.004 0.000 0.256 320 Q C 0.500 176.573 176.000 0.121 0.000 0.907 320 Q CA -0.008 55.864 55.803 0.115 0.000 0.954 320 Q CB -0.130 28.640 28.738 0.054 0.000 1.102 320 Q HN 0.630 nan 8.270 nan 0.000 0.429 321 N N -0.809 117.965 118.700 0.124 0.000 2.234 321 N HA -0.022 4.716 4.740 -0.004 0.000 0.227 321 N C -1.081 174.537 175.510 0.180 0.000 1.151 321 N CA -0.214 52.902 53.050 0.111 0.000 0.865 321 N CB 0.256 38.784 38.487 0.068 0.000 1.066 321 N HN 0.159 nan 8.380 nan 0.000 0.515 322 Y N -0.149 120.175 120.300 0.040 0.000 2.330 322 Y HA 0.540 5.088 4.550 -0.004 0.000 0.324 322 Y C -1.264 174.671 175.900 0.057 0.000 1.093 322 Y CA -0.774 57.349 58.100 0.038 0.000 1.103 322 Y CB 1.659 40.134 38.460 0.024 0.000 1.183 322 Y HN 0.017 nan 8.280 nan 0.000 0.433 323 S N 4.141 119.708 115.700 -0.222 0.000 2.568 323 S HA 0.890 5.358 4.470 -0.004 0.000 0.293 323 S C -1.949 172.519 174.600 -0.219 0.000 1.089 323 S CA -0.509 57.630 58.200 -0.100 0.000 0.945 323 S CB 1.467 64.645 63.200 -0.036 0.000 1.077 323 S HN 0.445 nan 8.310 nan 0.000 0.485 324 V N 4.665 124.552 119.914 -0.044 0.000 2.577 324 V HA 0.494 4.612 4.120 -0.004 0.000 0.303 324 V C -0.320 175.806 176.094 0.053 0.000 1.042 324 V CA -0.608 61.678 62.300 -0.023 0.000 0.872 324 V CB 1.702 33.539 31.823 0.024 0.000 0.998 324 V HN 0.944 nan 8.190 nan 0.000 0.423 325 M N 3.955 123.557 119.600 0.003 0.000 2.157 325 M HA 0.499 4.977 4.480 -0.004 0.000 0.354 325 M C -1.201 175.113 176.300 0.025 0.000 1.170 325 M CA -0.241 55.043 55.300 -0.028 0.000 1.060 325 M CB 1.022 33.551 32.600 -0.119 0.000 1.615 325 M HN 0.596 nan 8.290 nan 0.000 0.460 326 D N 5.227 125.634 120.400 0.013 0.000 2.198 326 D HA 0.525 5.163 4.640 -0.004 0.000 0.247 326 D C -0.909 175.361 176.300 -0.051 0.000 1.010 326 D CA -0.052 53.953 54.000 0.009 0.000 0.880 326 D CB 1.861 42.687 40.800 0.044 0.000 1.209 326 D HN 0.597 nan 8.370 nan 0.000 0.451 327 I N 2.124 122.688 120.570 -0.009 0.000 2.411 327 I HA 0.271 4.439 4.170 -0.004 0.000 0.284 327 I C -0.646 175.469 176.117 -0.004 0.000 1.012 327 I CA -0.569 60.715 61.300 -0.026 0.000 1.119 327 I CB 1.294 39.333 38.000 0.065 0.000 1.261 327 I HN 0.152 nan 8.210 nan 0.000 0.448 328 c N 3.867 122.454 118.600 -0.021 0.000 2.379 328 c HA 0.528 5.096 4.570 -0.004 0.000 0.323 328 c C -0.307 173.930 174.090 0.245 0.000 1.262 328 c CA -0.759 55.627 56.329 0.095 0.000 1.581 328 c CB 0.995 43.556 42.510 0.084 0.000 2.221 328 c HN 0.576 nan 8.230 nan 0.000 0.497 329 D N 0.507 121.031 120.400 0.206 0.000 2.185 329 D HA 0.288 4.926 4.640 -0.004 0.000 0.247 329 D C -0.563 175.665 176.300 -0.120 0.000 1.027 329 D CA -0.221 53.855 54.000 0.126 0.000 0.861 329 D CB 0.813 41.634 40.800 0.036 0.000 1.202 329 D HN 0.577 nan 8.370 nan 0.000 0.453 330 Y N 1.611 121.498 120.300 -0.688 0.000 2.465 330 Y HA 0.161 4.709 4.550 -0.004 0.000 0.331 330 Y C -0.134 175.456 175.900 -0.518 0.000 1.102 330 Y CA -0.204 57.164 58.100 -1.220 0.000 1.358 330 Y CB 0.547 38.228 38.460 -1.298 0.000 1.213 330 Y HN 0.174 nan 8.280 nan 0.000 0.525 331 D N 5.421 125.207 120.400 -1.022 0.000 2.412 331 D HA 0.095 4.733 4.640 -0.004 0.000 0.224 331 D C 0.787 176.532 176.300 -0.924 0.000 1.093 331 D CA -0.081 53.504 54.000 -0.692 0.000 0.850 331 D CB 0.753 41.310 40.800 -0.405 0.000 1.046 331 D HN 0.824 nan 8.370 nan 0.000 0.507 332 E N 1.755 121.585 120.200 -0.616 0.000 2.160 332 E HA -0.202 4.146 4.350 -0.004 0.000 0.195 332 E C 1.450 177.932 176.600 -0.197 0.000 0.991 332 E CA 1.208 57.413 56.400 -0.324 0.000 0.810 332 E CB 0.325 30.007 29.700 -0.029 0.000 0.742 332 E HN 0.571 nan 8.360 nan 0.000 0.466 333 S N -0.446 115.144 115.700 -0.184 0.000 2.414 333 S HA -0.081 4.387 4.470 -0.004 0.000 0.227 333 S C 2.008 176.544 174.600 -0.107 0.000 1.022 333 S CA 1.114 59.250 58.200 -0.106 0.000 0.958 333 S CB 0.115 63.265 63.200 -0.083 0.000 0.797 333 S HN 0.219 nan 8.310 nan 0.000 0.493 334 S N -0.240 115.358 115.700 -0.169 0.000 2.511 334 S HA 0.465 4.933 4.470 -0.004 0.000 0.214 334 S C 1.652 176.178 174.600 -0.122 0.000 0.997 334 S CA 0.563 58.687 58.200 -0.126 0.000 0.908 334 S CB -0.387 62.739 63.200 -0.124 0.000 0.803 334 S HN 1.481 nan 8.310 nan 0.000 0.504 335 G N 1.959 110.624 108.800 -0.225 0.000 2.166 335 G HA2 -0.248 3.710 3.960 -0.004 0.000 0.260 335 G HA3 -0.248 3.710 3.960 -0.004 0.000 0.260 335 G C 0.166 175.010 174.900 -0.093 0.000 0.986 335 G CA 0.387 45.422 45.100 -0.108 0.000 0.683 335 G HN 0.532 nan 8.290 nan 0.000 0.527 336 R N -1.524 118.823 120.500 -0.254 0.000 2.700 336 R HA 0.668 5.006 4.340 -0.004 0.000 0.253 336 R C -0.684 175.441 176.300 -0.292 0.000 1.091 336 R CA -1.038 54.998 56.100 -0.107 0.000 1.104 336 R CB 0.486 30.763 30.300 -0.038 0.000 1.202 336 R HN 0.198 nan 8.270 nan 0.000 0.532 337 W N 0.463 121.754 121.300 -0.015 0.000 2.471 337 W HA 0.404 5.062 4.660 -0.004 0.000 0.318 337 W C -0.367 176.128 176.519 -0.040 0.000 1.034 337 W CA -0.387 56.947 57.345 -0.019 0.000 1.224 337 W CB 1.072 30.529 29.460 -0.005 0.000 1.335 337 W HN 0.400 nan 8.180 nan 0.000 0.452 338 N N 2.219 120.992 118.700 0.122 0.000 2.321 338 N HA 0.556 5.293 4.740 -0.004 0.000 0.299 338 N C -1.497 174.052 175.510 0.065 0.000 1.048 338 N CA -0.690 52.396 53.050 0.060 0.000 0.836 338 N CB 1.318 39.801 38.487 -0.008 0.000 1.269 338 N HN 0.177 nan 8.380 nan 0.000 0.486 339 c N 2.793 121.416 118.600 0.040 0.000 2.258 339 c HA 0.384 4.952 4.570 -0.004 0.000 0.321 339 c C 0.382 174.473 174.090 0.003 0.000 1.168 339 c CA -1.112 55.231 56.329 0.024 0.000 1.531 339 c CB -1.339 41.178 42.510 0.012 0.000 2.095 339 c HN 0.611 nan 8.230 nan 0.000 0.449 340 L N 2.737 123.964 121.223 0.007 0.000 2.455 340 L HA 0.066 4.404 4.340 -0.004 0.000 0.272 340 L C 1.488 178.347 176.870 -0.018 0.000 1.174 340 L CA 0.100 54.937 54.840 -0.005 0.000 0.869 340 L CB 0.657 42.717 42.059 0.003 0.000 1.130 340 L HN 0.594 nan 8.230 nan 0.000 0.474 341 V N 3.153 123.049 119.914 -0.030 0.000 2.594 341 V HA -0.276 3.842 4.120 -0.004 0.000 0.253 341 V C 2.275 178.333 176.094 -0.061 0.000 1.069 341 V CA 1.882 64.155 62.300 -0.045 0.000 1.082 341 V CB -0.676 31.121 31.823 -0.044 0.000 0.680 341 V HN 1.020 nan 8.190 nan 0.000 0.469 342 A N -0.182 122.610 122.820 -0.046 0.000 2.178 342 A HA -0.157 4.161 4.320 -0.004 0.000 0.218 342 A C 2.212 179.752 177.584 -0.074 0.000 1.157 342 A CA 1.338 53.343 52.037 -0.054 0.000 0.689 342 A CB -0.391 18.593 19.000 -0.026 0.000 0.787 342 A HN 0.569 nan 8.150 nan 0.000 0.465 343 R N -1.144 119.324 120.500 -0.053 0.000 2.472 343 R HA 0.161 4.499 4.340 -0.004 0.000 0.279 343 R C 0.444 176.705 176.300 -0.064 0.000 0.953 343 R CA -0.156 55.946 56.100 0.002 0.000 1.088 343 R CB 0.305 30.660 30.300 0.092 0.000 1.197 343 R HN 0.596 nan 8.270 nan 0.000 0.536 344 Q N 0.856 120.551 119.800 -0.176 0.000 2.256 344 Q HA 0.129 4.466 4.340 -0.004 0.000 0.254 344 Q C -1.195 174.615 176.000 -0.318 0.000 0.916 344 Q CA -0.279 55.445 55.803 -0.132 0.000 0.932 344 Q CB 0.763 29.452 28.738 -0.082 0.000 1.207 344 Q HN 0.217 nan 8.270 nan 0.000 0.426 345 H N 2.885 121.944 119.070 -0.019 0.000 2.505 345 H HA 0.382 4.935 4.556 -0.004 0.000 0.338 345 H C -0.593 174.693 175.328 -0.070 0.000 1.057 345 H CA -0.640 55.398 56.048 -0.017 0.000 1.202 345 H CB 1.094 30.839 29.762 -0.029 0.000 1.466 345 H HN 0.474 nan 8.280 nan 0.000 0.499 346 I N 2.040 122.614 120.570 0.007 0.000 2.385 346 I HA 0.265 4.432 4.170 -0.004 0.000 0.294 346 I C 0.261 176.320 176.117 -0.096 0.000 0.988 346 I CA -0.311 60.907 61.300 -0.136 0.000 1.265 346 I CB 1.369 39.264 38.000 -0.173 0.000 1.388 346 I HN 0.704 nan 8.210 nan 0.000 0.480 347 E N 6.887 126.976 120.200 -0.185 0.000 2.265 347 E HA 0.553 4.900 4.350 -0.004 0.000 0.262 347 E C -1.352 175.163 176.600 -0.142 0.000 0.889 347 E CA -0.658 55.685 56.400 -0.095 0.000 0.789 347 E CB 1.703 31.379 29.700 -0.040 0.000 1.221 347 E HN 0.587 nan 8.360 nan 0.000 0.414 348 M N 1.557 121.115 119.600 -0.070 0.000 2.658 348 M HA 0.605 5.082 4.480 -0.004 0.000 0.295 348 M C -1.030 175.278 176.300 0.014 0.000 1.248 348 M CA -0.741 54.550 55.300 -0.014 0.000 0.843 348 M CB 2.155 34.793 32.600 0.062 0.000 1.749 348 M HN 0.105 nan 8.290 nan 0.000 0.464 349 S N -0.772 114.938 115.700 0.018 0.000 2.532 349 S HA 0.634 5.101 4.470 -0.004 0.000 0.299 349 S C 0.417 175.010 174.600 -0.011 0.000 1.105 349 S CA -0.019 58.173 58.200 -0.014 0.000 1.018 349 S CB 1.253 64.404 63.200 -0.081 0.000 1.021 349 S HN 0.987 nan 8.310 nan 0.000 0.483 350 T N 0.209 114.758 114.554 -0.008 0.000 3.051 350 T HA 0.028 4.376 4.350 -0.004 0.000 0.255 350 T C 1.514 176.199 174.700 -0.026 0.000 1.085 350 T CA 1.011 63.107 62.100 -0.006 0.000 1.109 350 T CB -0.429 68.442 68.868 0.005 0.000 0.921 350 T HN 0.670 nan 8.240 nan 0.000 0.488 351 T N -2.040 112.490 114.554 -0.040 0.000 3.015 351 T HA 0.594 4.942 4.350 -0.004 0.000 0.250 351 T C 1.147 175.692 174.700 -0.258 0.000 1.057 351 T CA 0.328 62.406 62.100 -0.037 0.000 1.066 351 T CB 0.379 69.302 68.868 0.093 0.000 0.959 351 T HN 0.595 nan 8.240 nan 0.000 0.488 352 G N 0.342 108.796 108.800 -0.578 0.000 2.827 352 G HA2 0.508 4.466 3.960 -0.004 0.000 0.202 352 G HA3 0.508 4.466 3.960 -0.004 0.000 0.202 352 G C -1.613 172.999 174.900 -0.480 0.000 1.185 352 G CA -0.667 43.834 45.100 -0.998 0.000 0.920 352 G HN 0.486 nan 8.290 nan 0.000 0.550 353 W N -0.266 120.755 121.300 -0.465 0.000 2.260 353 W HA 0.743 5.401 4.660 -0.004 0.000 0.366 353 W C -0.405 176.050 176.519 -0.106 0.000 1.315 353 W CA -1.290 55.915 57.345 -0.233 0.000 1.458 353 W CB 0.670 29.960 29.460 -0.284 0.000 1.255 353 W HN 0.250 nan 8.180 nan 0.000 0.671 354 V N 3.102 123.072 119.914 0.094 0.000 2.432 354 V HA 0.662 4.780 4.120 -0.004 0.000 0.275 354 V C 0.783 176.941 176.094 0.106 0.000 1.043 354 V CA 0.508 62.830 62.300 0.037 0.000 0.925 354 V CB -0.067 31.781 31.823 0.042 0.000 0.985 354 V HN 1.257 nan 8.190 nan 0.000 0.466 355 G N 5.278 114.099 108.800 0.036 0.000 2.756 355 G HA2 -0.181 3.776 3.960 -0.004 0.000 0.678 355 G HA3 -0.181 3.776 3.960 -0.004 0.000 0.678 355 G C 0.284 175.266 174.900 0.137 0.000 1.349 355 G CA 0.145 45.298 45.100 0.089 0.000 0.847 355 G HN 0.632 nan 8.290 nan 0.000 0.548 356 R N -0.753 119.833 120.500 0.143 0.000 2.061 356 R HA 0.146 4.484 4.340 -0.004 0.000 0.230 356 R C 1.948 178.242 176.300 -0.010 0.000 1.140 356 R CA 2.183 58.335 56.100 0.087 0.000 0.940 356 R CB -0.104 30.262 30.300 0.109 0.000 0.839 356 R HN 0.469 nan 8.270 nan 0.000 0.429 357 F N -0.780 119.324 119.950 0.256 0.000 2.831 357 F HA 0.284 4.809 4.527 -0.004 0.000 0.334 357 F C 0.318 176.161 175.800 0.070 0.000 1.071 357 F CA -0.504 57.596 58.000 0.166 0.000 1.172 357 F CB 0.790 39.886 39.000 0.160 0.000 1.054 357 F HN -0.096 nan 8.300 nan 0.000 0.572 358 R N -1.017 119.622 120.500 0.232 0.000 2.753 358 R HA 0.395 4.733 4.340 -0.004 0.000 0.272 358 R C -3.435 172.924 176.300 0.098 0.000 1.034 358 R CA -1.838 54.322 56.100 0.101 0.000 0.869 358 R CB 0.278 30.593 30.300 0.026 0.000 1.264 358 R HN -0.343 nan 8.270 nan 0.000 0.481 359 P HA -0.020 nan 4.420 nan 0.000 0.266 359 P C -0.212 177.110 177.300 0.038 0.000 1.195 359 P CA 0.065 63.185 63.100 0.034 0.000 0.768 359 P CB 0.689 32.385 31.700 -0.007 0.000 0.838 360 S N 1.531 117.265 115.700 0.056 0.000 2.584 360 S HA 0.145 4.613 4.470 -0.004 0.000 0.270 360 S C 0.225 174.849 174.600 0.039 0.000 1.346 360 S CA -0.704 57.546 58.200 0.084 0.000 1.018 360 S CB 0.352 63.622 63.200 0.117 0.000 0.899 360 S HN 0.537 nan 8.310 nan 0.000 0.542 361 E N 1.507 121.749 120.200 0.069 0.000 2.331 361 E HA 0.368 4.716 4.350 -0.004 0.000 0.272 361 E C -2.780 173.810 176.600 -0.017 0.000 1.036 361 E CA -2.206 54.189 56.400 -0.009 0.000 0.864 361 E CB 0.325 30.019 29.700 -0.009 0.000 1.035 361 E HN 0.440 nan 8.360 nan 0.000 0.408 362 P HA 0.233 nan 4.420 nan 0.000 0.281 362 P C -0.769 176.403 177.300 -0.213 0.000 1.249 362 P CA -0.295 62.667 63.100 -0.230 0.000 0.810 362 P CB 0.735 31.955 31.700 -0.800 0.000 1.008 363 H N 1.855 120.928 119.070 0.005 0.000 2.762 363 H HA 0.290 4.844 4.556 -0.004 0.000 0.310 363 H C -0.371 175.068 175.328 0.185 0.000 1.004 363 H CA -0.358 55.782 56.048 0.153 0.000 1.267 363 H CB 0.321 30.207 29.762 0.206 0.000 1.437 363 H HN 0.308 nan 8.280 nan 0.000 0.498 364 F N 1.995 122.137 119.950 0.320 0.000 2.412 364 F HA 0.039 4.563 4.527 -0.004 0.000 0.348 364 F C 1.662 177.661 175.800 0.333 0.000 1.102 364 F CA -0.442 57.752 58.000 0.323 0.000 1.196 364 F CB 0.993 40.114 39.000 0.201 0.000 1.144 364 F HN 0.394 nan 8.300 nan 0.000 0.541 365 T N 1.077 115.940 114.554 0.516 0.000 2.802 365 T HA 0.038 4.386 4.350 -0.004 0.000 0.305 365 T C 1.146 176.048 174.700 0.336 0.000 1.053 365 T CA -0.755 61.588 62.100 0.404 0.000 1.058 365 T CB 0.700 69.795 68.868 0.379 0.000 0.988 365 T HN 0.590 nan 8.240 nan 0.000 0.539 366 L N 1.578 122.950 121.223 0.249 0.000 2.013 366 L HA -0.079 4.259 4.340 -0.004 0.000 0.212 366 L C 2.244 179.226 176.870 0.186 0.000 1.073 366 L CA 2.570 57.529 54.840 0.199 0.000 0.753 366 L CB -1.185 40.965 42.059 0.152 0.000 0.890 366 L HN 0.978 nan 8.230 nan 0.000 0.432 367 D N -1.141 119.368 120.400 0.182 0.000 2.378 367 D HA 0.004 4.642 4.640 -0.004 0.000 0.222 367 D C 1.659 178.065 176.300 0.176 0.000 0.980 367 D CA 0.835 54.931 54.000 0.160 0.000 0.907 367 D CB -0.707 40.177 40.800 0.141 0.000 0.899 367 D HN 0.475 nan 8.370 nan 0.000 0.527 368 G N 0.459 109.401 108.800 0.237 0.000 2.166 368 G HA2 -0.368 3.589 3.960 -0.004 0.000 0.260 368 G HA3 -0.368 3.589 3.960 -0.004 0.000 0.260 368 G C 0.928 176.014 174.900 0.311 0.000 0.986 368 G CA 0.466 45.713 45.100 0.246 0.000 0.683 368 G HN 0.403 nan 8.290 nan 0.000 0.527 369 N N 0.159 119.026 118.700 0.278 0.000 2.353 369 N HA 0.189 4.927 4.740 -0.004 0.000 0.185 369 N C 0.872 176.512 175.510 0.217 0.000 1.098 369 N CA 1.117 54.303 53.050 0.226 0.000 0.872 369 N CB 0.446 39.023 38.487 0.152 0.000 0.970 369 N HN 0.903 nan 8.380 nan 0.000 0.467 370 S N -0.483 115.385 115.700 0.280 0.000 2.596 370 S HA 0.749 5.216 4.470 -0.004 0.000 0.270 370 S C -0.948 173.756 174.600 0.173 0.000 1.155 370 S CA -1.024 57.218 58.200 0.070 0.000 0.827 370 S CB 1.685 64.819 63.200 -0.109 0.000 1.130 370 S HN 0.125 nan 8.310 nan 0.000 0.467 371 F N -1.736 118.046 119.950 -0.280 0.000 2.686 371 F HA 0.846 5.370 4.527 -0.004 0.000 0.311 371 F C -2.145 173.482 175.800 -0.287 0.000 1.128 371 F CA -1.521 56.254 58.000 -0.375 0.000 0.946 371 F CB 0.674 39.028 39.000 -1.078 0.000 1.336 371 F HN 0.595 nan 8.300 nan 0.000 0.457 372 Y N 1.007 121.441 120.300 0.223 0.000 2.409 372 Y HA 0.697 5.245 4.550 -0.004 0.000 0.339 372 Y C -0.251 175.804 175.900 0.258 0.000 1.033 372 Y CA -0.922 57.302 58.100 0.206 0.000 1.094 372 Y CB 2.194 40.734 38.460 0.133 0.000 1.210 372 Y HN 0.663 nan 8.280 nan 0.000 0.456 373 K N 2.803 123.422 120.400 0.366 0.000 2.525 373 K HA 0.521 4.839 4.320 -0.004 0.000 0.254 373 K C -1.594 175.144 176.600 0.230 0.000 0.934 373 K CA -0.605 55.859 56.287 0.294 0.000 0.802 373 K CB 1.698 34.347 32.500 0.248 0.000 1.295 373 K HN 0.684 nan 8.250 nan 0.000 0.433 374 I N 6.278 126.959 120.570 0.184 0.000 2.452 374 I HA 0.235 4.402 4.170 -0.004 0.000 0.287 374 I C 0.210 176.420 176.117 0.156 0.000 1.079 374 I CA -0.164 61.225 61.300 0.149 0.000 1.387 374 I CB 0.248 38.319 38.000 0.119 0.000 1.404 374 I HN 0.466 nan 8.210 nan 0.000 0.522 375 I N 1.995 122.684 120.570 0.199 0.000 2.994 375 I HA 0.476 4.644 4.170 -0.004 0.000 0.306 375 I C -0.332 175.915 176.117 0.217 0.000 1.195 375 I CA -0.813 60.603 61.300 0.194 0.000 1.001 375 I CB 2.165 40.290 38.000 0.210 0.000 1.244 375 I HN 0.342 nan 8.210 nan 0.000 0.437 376 S N 2.929 118.695 115.700 0.110 0.000 2.481 376 S HA 0.244 4.712 4.470 -0.004 0.000 0.276 376 S C 0.004 174.644 174.600 0.067 0.000 1.247 376 S CA -0.519 57.688 58.200 0.011 0.000 1.053 376 S CB -0.328 62.818 63.200 -0.090 0.000 0.925 376 S HN 0.817 nan 8.310 nan 0.000 0.491 377 N N 3.929 122.565 118.700 -0.106 0.000 2.322 377 N HA 0.134 4.872 4.740 -0.004 0.000 0.270 377 N C 0.755 176.164 175.510 -0.168 0.000 1.286 377 N CA -0.217 52.625 53.050 -0.347 0.000 0.948 377 N CB -0.119 37.750 38.487 -1.030 0.000 1.164 377 N HN 0.682 nan 8.380 nan 0.000 0.551 378 E N -1.004 119.094 120.200 -0.171 0.000 2.209 378 E HA -0.149 4.199 4.350 -0.004 0.000 0.196 378 E C 0.371 176.917 176.600 -0.091 0.000 0.993 378 E CA 0.974 57.319 56.400 -0.092 0.000 0.819 378 E CB 0.043 29.697 29.700 -0.077 0.000 0.745 378 E HN 0.543 nan 8.360 nan 0.000 0.477 379 E N -0.725 119.416 120.200 -0.098 0.000 2.479 379 E HA 0.047 4.394 4.350 -0.004 0.000 0.193 379 E C 1.039 177.601 176.600 -0.064 0.000 1.049 379 E CA 0.478 56.863 56.400 -0.025 0.000 0.870 379 E CB 0.949 30.677 29.700 0.046 0.000 0.944 379 E HN 0.363 nan 8.360 nan 0.000 0.492 380 G N 1.056 109.764 108.800 -0.153 0.000 2.143 380 G HA2 -0.290 3.667 3.960 -0.004 0.000 0.249 380 G HA3 -0.290 3.667 3.960 -0.004 0.000 0.249 380 G C -0.246 174.380 174.900 -0.457 0.000 0.981 380 G CA 0.027 44.938 45.100 -0.315 0.000 0.665 380 G HN 0.226 nan 8.290 nan 0.000 0.528 381 Y N 0.349 120.520 120.300 -0.216 0.000 2.342 381 Y HA 0.627 5.175 4.550 -0.004 0.000 0.334 381 Y C 1.186 176.930 175.900 -0.261 0.000 1.067 381 Y CA -0.899 57.057 58.100 -0.239 0.000 1.128 381 Y CB 1.006 39.333 38.460 -0.223 0.000 1.200 381 Y HN 0.081 nan 8.280 nan 0.000 0.464 382 R N 3.750 124.126 120.500 -0.206 0.000 2.316 382 R HA 0.277 4.614 4.340 -0.004 0.000 0.314 382 R C -0.770 175.261 176.300 -0.448 0.000 1.069 382 R CA -0.053 55.930 56.100 -0.195 0.000 0.959 382 R CB 0.141 30.377 30.300 -0.107 0.000 0.987 382 R HN 0.660 nan 8.270 nan 0.000 0.446 383 H N 1.613 120.660 119.070 -0.038 0.000 2.977 383 H HA 0.337 4.891 4.556 -0.004 0.000 0.350 383 H C -0.282 175.110 175.328 0.106 0.000 1.238 383 H CA -0.916 55.084 56.048 -0.080 0.000 1.124 383 H CB 1.620 31.230 29.762 -0.255 0.000 1.866 383 H HN 0.324 nan 8.280 nan 0.000 0.550 384 I N 1.261 121.918 120.570 0.145 0.000 2.416 384 I HA 0.075 4.243 4.170 -0.004 0.000 0.288 384 I C 0.327 176.490 176.117 0.077 0.000 1.051 384 I CA 0.059 61.405 61.300 0.077 0.000 1.375 384 I CB 0.429 38.384 38.000 -0.076 0.000 1.407 384 I HN 0.141 nan 8.210 nan 0.000 0.516 385 c N 6.979 125.553 118.600 -0.043 0.000 2.382 385 c HA 0.446 5.013 4.570 -0.004 0.000 0.327 385 c C -0.489 173.458 174.090 -0.238 0.000 1.250 385 c CA -0.466 55.611 56.329 -0.420 0.000 1.707 385 c CB 0.885 42.873 42.510 -0.870 0.000 2.272 385 c HN 0.637 nan 8.230 nan 0.000 0.506 386 Y N 4.382 124.342 120.300 -0.566 0.000 2.331 386 Y HA 0.670 5.218 4.550 -0.004 0.000 0.338 386 Y C -1.081 174.352 175.900 -0.779 0.000 0.976 386 Y CA -1.058 56.656 58.100 -0.643 0.000 1.137 386 Y CB 0.394 38.555 38.460 -0.498 0.000 1.172 386 Y HN 0.631 nan 8.280 nan 0.000 0.478 387 F N 4.458 123.642 119.950 -1.277 0.000 2.469 387 F HA 0.430 4.955 4.527 -0.004 0.000 0.332 387 F C -0.142 174.929 175.800 -1.215 0.000 1.103 387 F CA -0.975 56.265 58.000 -1.266 0.000 0.979 387 F CB 1.520 39.387 39.000 -1.889 0.000 1.137 387 F HN 0.304 nan 8.300 nan 0.000 0.463 388 Q N 3.402 122.861 119.800 -0.569 0.000 2.259 388 Q HA 0.264 4.601 4.340 -0.004 0.000 0.249 388 Q C 1.290 177.279 176.000 -0.019 0.000 0.914 388 Q CA -0.259 55.368 55.803 -0.293 0.000 0.904 388 Q CB 1.558 30.185 28.738 -0.184 0.000 1.213 388 Q HN 0.875 nan 8.270 nan 0.000 0.428 389 I N -1.142 119.509 120.570 0.136 0.000 2.454 389 I HA -0.169 3.999 4.170 -0.004 0.000 0.254 389 I C 0.634 176.977 176.117 0.377 0.000 1.156 389 I CA 1.470 62.998 61.300 0.380 0.000 1.433 389 I CB -0.108 38.122 38.000 0.383 0.000 1.082 389 I HN 0.365 nan 8.210 nan 0.000 0.432 390 D N 0.734 121.246 120.400 0.186 0.000 2.559 390 D HA 0.225 4.863 4.640 -0.004 0.000 0.234 390 D C -0.186 176.142 176.300 0.046 0.000 1.226 390 D CA -0.366 53.691 54.000 0.094 0.000 0.830 390 D CB 0.001 40.836 40.800 0.059 0.000 1.028 390 D HN 0.391 nan 8.370 nan 0.000 0.492 391 K N 0.281 120.732 120.400 0.085 0.000 2.443 391 K HA 0.309 4.627 4.320 -0.004 0.000 0.252 391 K C 0.494 177.145 176.600 0.085 0.000 0.933 391 K CA -0.876 55.427 56.287 0.027 0.000 0.792 391 K CB 2.285 34.765 32.500 -0.033 0.000 1.185 391 K HN -0.322 nan 8.250 nan 0.000 0.425 392 K N 0.579 120.989 120.400 0.017 0.000 2.243 392 K HA 0.040 4.358 4.320 -0.004 0.000 0.201 392 K C -0.088 176.542 176.600 0.049 0.000 1.051 392 K CA 1.003 57.322 56.287 0.054 0.000 0.970 392 K CB 0.122 32.612 32.500 -0.017 0.000 0.755 392 K HN 0.574 nan 8.250 nan 0.000 0.465 393 D N 1.385 121.748 120.400 -0.062 0.000 2.277 393 D HA 0.061 4.699 4.640 -0.004 0.000 0.249 393 D C 0.394 176.479 176.300 -0.357 0.000 1.134 393 D CA -0.235 53.666 54.000 -0.166 0.000 0.863 393 D CB 1.095 41.819 40.800 -0.126 0.000 1.143 393 D HN 0.159 nan 8.370 nan 0.000 0.458 394 c N 0.879 119.097 118.600 -0.637 0.000 2.325 394 c HA 0.771 5.338 4.570 -0.004 0.000 0.370 394 c C 0.371 174.056 174.090 -0.675 0.000 1.217 394 c CA -0.595 55.128 56.329 -1.010 0.000 2.254 394 c CB 0.893 42.145 42.510 -2.098 0.000 2.282 394 c HN 0.471 nan 8.230 nan 0.000 0.564 395 T N 1.876 116.079 114.554 -0.584 0.000 2.770 395 T HA 0.457 4.804 4.350 -0.004 0.000 0.283 395 T C -0.662 173.826 174.700 -0.353 0.000 0.988 395 T CA 0.142 62.053 62.100 -0.314 0.000 0.957 395 T CB 0.300 69.122 68.868 -0.076 0.000 0.930 395 T HN 0.479 nan 8.240 nan 0.000 0.443 396 F N 3.440 123.275 119.950 -0.193 0.000 2.504 396 F HA 0.229 4.754 4.527 -0.004 0.000 0.369 396 F C 1.640 177.287 175.800 -0.254 0.000 1.082 396 F CA -0.773 57.103 58.000 -0.207 0.000 1.216 396 F CB 0.367 39.245 39.000 -0.204 0.000 1.108 396 F HN 0.585 nan 8.300 nan 0.000 0.554 397 I N -0.491 119.980 120.570 -0.165 0.000 3.941 397 I HA 0.199 4.367 4.170 -0.004 0.000 0.321 397 I C 0.350 176.298 176.117 -0.281 0.000 1.284 397 I CA 0.160 61.161 61.300 -0.497 0.000 1.226 397 I CB 0.113 37.522 38.000 -0.985 0.000 1.045 397 I HN 0.491 nan 8.210 nan 0.000 0.420 398 T N 0.373 114.829 114.554 -0.164 0.000 2.916 398 T HA 0.684 5.032 4.350 -0.004 0.000 0.292 398 T C -0.617 173.758 174.700 -0.542 0.000 1.055 398 T CA -0.668 61.330 62.100 -0.171 0.000 1.009 398 T CB 2.650 71.499 68.868 -0.032 0.000 1.118 398 T HN 0.502 nan 8.240 nan 0.000 0.497 399 K N -0.159 119.762 120.400 -0.798 0.000 2.578 399 K HA 0.772 5.089 4.320 -0.004 0.000 0.287 399 K C -0.472 175.483 176.600 -1.076 0.000 1.010 399 K CA -0.823 54.654 56.287 -1.351 0.000 0.889 399 K CB 1.380 33.461 32.500 -0.699 0.000 1.514 399 K HN 1.594 nan 8.250 nan 0.000 0.424 400 G N -0.071 108.124 108.800 -1.008 0.000 2.347 400 G HA2 0.073 4.031 3.960 -0.004 0.000 0.477 400 G HA3 0.073 4.031 3.960 -0.004 0.000 0.477 400 G C -0.823 173.526 174.900 -0.919 0.000 1.349 400 G CA -0.357 44.328 45.100 -0.692 0.000 1.000 400 G HN 1.010 nan 8.290 nan 0.000 0.605 401 T N -0.432 113.726 114.554 -0.659 0.000 3.855 401 T HA 0.589 4.936 4.350 -0.004 0.000 0.306 401 T C 0.164 174.616 174.700 -0.412 0.000 1.575 401 T CA 0.524 62.028 62.100 -0.994 0.000 1.214 401 T CB -0.905 67.616 68.868 -0.578 0.000 1.262 401 T HN 1.620 nan 8.240 nan 0.000 0.883 402 W N -0.274 120.826 121.300 -0.334 0.000 2.926 402 W HA 0.585 5.243 4.660 -0.004 0.000 0.361 402 W C -1.646 174.852 176.519 -0.035 0.000 1.195 402 W CA -0.927 56.386 57.345 -0.052 0.000 1.177 402 W CB 0.546 29.972 29.460 -0.056 0.000 1.453 402 W HN 0.211 nan 8.180 nan 0.000 0.571 403 E N 0.858 121.249 120.200 0.319 0.000 2.317 403 E HA 0.445 4.793 4.350 -0.004 0.000 0.270 403 E C -1.057 175.668 176.600 0.208 0.000 0.885 403 E CA -1.174 55.222 56.400 -0.007 0.000 0.760 403 E CB 3.418 33.153 29.700 0.059 0.000 1.227 403 E HN 0.174 nan 8.360 nan 0.000 0.434 404 V N 3.874 123.778 119.914 -0.017 0.000 2.508 404 V HA -0.003 4.115 4.120 -0.004 0.000 0.281 404 V C 1.221 177.405 176.094 0.150 0.000 1.041 404 V CA 0.109 62.490 62.300 0.135 0.000 1.016 404 V CB 0.473 32.278 31.823 -0.031 0.000 0.984 404 V HN 0.689 nan 8.190 nan 0.000 0.478 405 I N 3.086 123.773 120.570 0.195 0.000 2.494 405 I HA 0.271 4.438 4.170 -0.004 0.000 0.250 405 I C 1.110 177.339 176.117 0.188 0.000 1.112 405 I CA 1.151 62.557 61.300 0.177 0.000 1.438 405 I CB -0.608 37.434 38.000 0.070 0.000 1.111 405 I HN 0.738 nan 8.210 nan 0.000 0.431 406 G N 0.888 109.800 108.800 0.188 0.000 2.703 406 G HA2 0.572 4.530 3.960 -0.004 0.000 0.294 406 G HA3 0.572 4.530 3.960 -0.004 0.000 0.294 406 G C -1.230 173.768 174.900 0.163 0.000 1.451 406 G CA -0.498 44.710 45.100 0.180 0.000 0.869 406 G HN -0.039 nan 8.290 nan 0.000 0.516 407 I N 1.623 122.228 120.570 0.058 0.000 2.371 407 I HA 0.249 4.417 4.170 -0.004 0.000 0.290 407 I C 0.692 176.773 176.117 -0.060 0.000 1.028 407 I CA -0.524 60.713 61.300 -0.106 0.000 1.345 407 I CB 1.738 39.408 38.000 -0.550 0.000 1.407 407 I HN 0.495 nan 8.210 nan 0.000 0.501 408 E N 4.787 125.010 120.200 0.038 0.000 2.244 408 E HA 0.337 4.685 4.350 -0.004 0.000 0.196 408 E C 0.138 176.721 176.600 -0.029 0.000 0.939 408 E CA 0.264 56.734 56.400 0.116 0.000 0.884 408 E CB 0.777 30.633 29.700 0.260 0.000 0.850 408 E HN 0.682 nan 8.360 nan 0.000 0.481 409 A N 0.522 123.231 122.820 -0.186 0.000 2.612 409 A HA 0.622 4.940 4.320 -0.004 0.000 0.293 409 A C -1.987 175.540 177.584 -0.095 0.000 1.075 409 A CA -0.620 51.227 52.037 -0.317 0.000 0.680 409 A CB 1.319 19.635 19.000 -1.140 0.000 1.279 409 A HN 0.039 nan 8.150 nan 0.000 0.411 410 L N 1.287 122.491 121.223 -0.031 0.000 2.476 410 L HA 0.783 5.121 4.340 -0.004 0.000 0.269 410 L C 0.117 177.022 176.870 0.059 0.000 0.965 410 L CA 0.477 55.327 54.840 0.016 0.000 0.845 410 L CB 2.058 44.149 42.059 0.053 0.000 1.259 410 L HN 1.211 nan 8.230 nan 0.000 0.403 411 T N -0.239 114.366 114.554 0.084 0.000 2.905 411 T HA 0.413 4.761 4.350 -0.004 0.000 0.283 411 T C 1.128 175.869 174.700 0.068 0.000 1.031 411 T CA 0.060 62.218 62.100 0.098 0.000 1.002 411 T CB 1.240 70.203 68.868 0.159 0.000 1.200 411 T HN 0.692 nan 8.240 nan 0.000 0.560 412 S N -0.240 115.498 115.700 0.064 0.000 2.440 412 S HA -0.121 4.347 4.470 -0.004 0.000 0.238 412 S C 0.853 175.431 174.600 -0.038 0.000 1.010 412 S CA 1.357 59.579 58.200 0.037 0.000 0.972 412 S CB -0.546 62.678 63.200 0.041 0.000 0.774 412 S HN 0.747 nan 8.310 nan 0.000 0.501 413 D N -0.983 119.368 120.400 -0.082 0.000 2.454 413 D HA 0.300 4.938 4.640 -0.004 0.000 0.219 413 D C -0.630 175.277 176.300 -0.654 0.000 1.081 413 D CA 0.349 54.150 54.000 -0.332 0.000 0.867 413 D CB 0.410 41.017 40.800 -0.321 0.000 1.054 413 D HN 0.459 nan 8.370 nan 0.000 0.500 414 Y N -0.008 120.221 120.300 -0.118 0.000 2.534 414 Y HA 0.453 5.001 4.550 -0.004 0.000 0.345 414 Y C -0.697 175.001 175.900 -0.337 0.000 1.031 414 Y CA -1.030 56.902 58.100 -0.280 0.000 1.022 414 Y CB 2.518 40.695 38.460 -0.472 0.000 1.292 414 Y HN -0.279 nan 8.280 nan 0.000 0.459 415 L N 3.284 124.369 121.223 -0.230 0.000 2.322 415 L HA 0.611 4.948 4.340 -0.004 0.000 0.281 415 L C -1.779 174.940 176.870 -0.252 0.000 1.014 415 L CA -0.603 54.086 54.840 -0.252 0.000 0.815 415 L CB 0.838 42.671 42.059 -0.377 0.000 1.247 415 L HN 0.613 nan 8.230 nan 0.000 0.421 416 Y N 4.798 125.037 120.300 -0.101 0.000 2.352 416 Y HA 0.540 5.088 4.550 -0.004 0.000 0.339 416 Y C -0.546 175.366 175.900 0.019 0.000 0.992 416 Y CA -0.438 57.604 58.100 -0.096 0.000 1.100 416 Y CB 1.380 39.699 38.460 -0.236 0.000 1.192 416 Y HN 0.525 nan 8.280 nan 0.000 0.458 417 Y N 0.952 121.321 120.300 0.114 0.000 2.597 417 Y HA 0.784 5.332 4.550 -0.004 0.000 0.340 417 Y C -1.808 174.177 175.900 0.142 0.000 1.097 417 Y CA -1.814 56.340 58.100 0.089 0.000 1.037 417 Y CB 1.148 39.632 38.460 0.040 0.000 1.305 417 Y HN 0.297 nan 8.280 nan 0.000 0.463 418 I N 3.298 124.027 120.570 0.265 0.000 2.412 418 I HA 0.589 4.756 4.170 -0.004 0.000 0.296 418 I C -0.065 176.233 176.117 0.302 0.000 0.987 418 I CA -0.294 61.111 61.300 0.175 0.000 1.180 418 I CB 1.498 39.556 38.000 0.096 0.000 1.340 418 I HN 0.901 nan 8.210 nan 0.000 0.455 419 S N 3.769 119.618 115.700 0.248 0.000 2.685 419 S HA 0.445 4.912 4.470 -0.004 0.000 0.282 419 S C -0.229 174.425 174.600 0.091 0.000 1.159 419 S CA -0.804 57.524 58.200 0.213 0.000 0.833 419 S CB 1.887 65.230 63.200 0.238 0.000 1.151 419 S HN 0.592 nan 8.310 nan 0.000 0.485 420 N N -0.427 118.321 118.700 0.080 0.000 2.320 420 N HA 0.133 4.871 4.740 -0.004 0.000 0.237 420 N C 0.618 176.102 175.510 -0.044 0.000 1.129 420 N CA -0.226 52.833 53.050 0.014 0.000 0.854 420 N CB 0.143 38.629 38.487 -0.002 0.000 1.083 420 N HN 0.806 nan 8.380 nan 0.000 0.504 421 E N -0.113 119.906 120.200 -0.302 0.000 2.077 421 E HA -0.222 4.126 4.350 -0.004 0.000 0.193 421 E C -0.377 176.066 176.600 -0.261 0.000 0.989 421 E CA 0.428 56.389 56.400 -0.730 0.000 0.800 421 E CB -0.083 28.599 29.700 -1.698 0.000 0.746 421 E HN 0.445 nan 8.360 nan 0.000 0.452 422 Y N 1.866 122.076 120.300 -0.150 0.000 2.729 422 Y HA -0.112 4.436 4.550 -0.004 0.000 0.331 422 Y C 0.415 176.279 175.900 -0.060 0.000 1.208 422 Y CA 0.851 58.913 58.100 -0.064 0.000 1.521 422 Y CB 0.071 38.519 38.460 -0.020 0.000 1.233 422 Y HN 0.063 nan 8.280 nan 0.000 0.539 423 K N 3.588 123.689 120.400 -0.498 0.000 3.274 423 K HA -0.236 4.082 4.320 -0.004 0.000 0.300 423 K C 0.793 177.315 176.600 -0.129 0.000 1.230 423 K CA 0.795 56.849 56.287 -0.390 0.000 0.884 423 K CB -1.733 30.472 32.500 -0.492 0.000 1.242 423 K HN 1.285 nan 8.250 nan 0.000 0.467 424 G N 0.755 109.499 108.800 -0.094 0.000 2.305 424 G HA2 -0.322 3.635 3.960 -0.004 0.000 0.287 424 G HA3 -0.322 3.635 3.960 -0.004 0.000 0.287 424 G C -0.028 174.861 174.900 -0.019 0.000 1.036 424 G CA 0.868 45.963 45.100 -0.008 0.000 0.887 424 G HN 0.321 nan 8.290 nan 0.000 0.505 425 M N 0.233 119.753 119.600 -0.134 0.000 2.047 425 M HA 0.264 4.742 4.480 -0.004 0.000 0.342 425 M C -1.323 174.745 176.300 -0.387 0.000 1.058 425 M CA -2.140 52.925 55.300 -0.391 0.000 0.991 425 M CB 1.922 34.366 32.600 -0.260 0.000 1.474 425 M HN -0.108 nan 8.290 nan 0.000 0.419 426 P HA -0.035 nan 4.420 nan 0.000 0.226 426 P C 1.109 178.279 177.300 -0.217 0.000 1.153 426 P CA 0.952 63.889 63.100 -0.273 0.000 0.777 426 P CB 0.156 31.702 31.700 -0.256 0.000 0.794 427 G N -0.876 107.733 108.800 -0.317 0.000 3.189 427 G HA2 0.302 4.260 3.960 -0.004 0.000 0.225 427 G HA3 0.302 4.260 3.960 -0.004 0.000 0.225 427 G C 0.636 175.546 174.900 0.018 0.000 1.159 427 G CA 0.053 45.091 45.100 -0.103 0.000 0.763 427 G HN 0.395 nan 8.290 nan 0.000 0.549 428 G N -0.146 108.607 108.800 -0.078 0.000 2.461 428 G HA2 0.641 4.599 3.960 -0.004 0.000 0.329 428 G HA3 0.641 4.599 3.960 -0.004 0.000 0.329 428 G C -0.832 173.943 174.900 -0.209 0.000 1.170 428 G CA -0.740 44.337 45.100 -0.038 0.000 0.935 428 G HN 0.074 nan 8.290 nan 0.000 0.492 429 R N 1.015 121.342 120.500 -0.288 0.000 2.533 429 R HA 0.432 4.769 4.340 -0.004 0.000 0.288 429 R C -1.221 175.033 176.300 -0.078 0.000 1.039 429 R CA -0.801 55.106 56.100 -0.322 0.000 0.909 429 R CB 2.030 31.892 30.300 -0.730 0.000 1.195 429 R HN 0.599 nan 8.270 nan 0.000 0.438 430 N N 1.539 120.219 118.700 -0.034 0.000 2.284 430 N HA 0.359 5.096 4.740 -0.004 0.000 0.289 430 N C -1.253 174.112 175.510 -0.241 0.000 1.179 430 N CA -0.822 52.127 53.050 -0.168 0.000 0.774 430 N CB 2.740 41.015 38.487 -0.353 0.000 1.548 430 N HN 0.239 nan 8.380 nan 0.000 0.473 431 L N 1.958 122.896 121.223 -0.475 0.000 2.292 431 L HA 0.488 4.826 4.340 -0.004 0.000 0.284 431 L C -1.394 175.086 176.870 -0.649 0.000 1.065 431 L CA 0.007 54.600 54.840 -0.412 0.000 0.806 431 L CB 0.060 41.876 42.059 -0.405 0.000 1.175 431 L HN 0.423 nan 8.230 nan 0.000 0.431 432 Y N 3.358 123.307 120.300 -0.586 0.000 2.602 432 Y HA 0.585 5.133 4.550 -0.004 0.000 0.342 432 Y C -0.448 175.115 175.900 -0.562 0.000 1.029 432 Y CA -0.877 56.834 58.100 -0.648 0.000 1.080 432 Y CB 1.717 39.604 38.460 -0.955 0.000 1.284 432 Y HN 0.488 nan 8.280 nan 0.000 0.485 433 K N 2.702 122.963 120.400 -0.232 0.000 2.507 433 K HA 0.610 4.928 4.320 -0.004 0.000 0.252 433 K C -1.995 174.553 176.600 -0.088 0.000 0.943 433 K CA -0.525 55.564 56.287 -0.331 0.000 0.808 433 K CB 1.631 33.860 32.500 -0.452 0.000 1.142 433 K HN 0.800 nan 8.250 nan 0.000 0.426 434 I N 3.303 123.880 120.570 0.011 0.000 2.433 434 I HA 0.221 4.389 4.170 -0.004 0.000 0.292 434 I C -0.630 175.591 176.117 0.173 0.000 1.001 434 I CA -0.680 60.708 61.300 0.147 0.000 1.119 434 I CB 1.757 39.873 38.000 0.194 0.000 1.289 434 I HN 0.745 nan 8.210 nan 0.000 0.438 435 Q N 6.127 126.034 119.800 0.178 0.000 2.293 435 Q HA 0.199 4.536 4.340 -0.004 0.000 0.263 435 Q C 0.190 176.140 176.000 -0.083 0.000 1.002 435 Q CA -0.171 55.593 55.803 -0.066 0.000 0.910 435 Q CB 1.189 29.919 28.738 -0.013 0.000 1.185 435 Q HN 0.842 nan 8.270 nan 0.000 0.401 436 L N 2.470 123.564 121.223 -0.216 0.000 2.141 436 L HA -0.136 4.202 4.340 -0.004 0.000 0.209 436 L C 2.149 178.893 176.870 -0.210 0.000 1.094 436 L CA 1.221 56.009 54.840 -0.086 0.000 0.763 436 L CB -0.268 41.717 42.059 -0.123 0.000 0.908 436 L HN 0.694 nan 8.230 nan 0.000 0.437 437 S N -2.441 113.109 115.700 -0.250 0.000 2.562 437 S HA -0.036 4.431 4.470 -0.004 0.000 0.221 437 S C 0.436 174.866 174.600 -0.285 0.000 0.975 437 S CA 0.057 58.105 58.200 -0.253 0.000 0.918 437 S CB 0.029 63.117 63.200 -0.187 0.000 0.772 437 S HN 0.348 nan 8.310 nan 0.000 0.531 438 D N -0.176 120.061 120.400 -0.270 0.000 2.351 438 D HA 0.205 4.842 4.640 -0.004 0.000 0.235 438 D C -0.472 175.791 176.300 -0.061 0.000 1.331 438 D CA -0.539 53.341 54.000 -0.200 0.000 0.959 438 D CB 0.010 40.749 40.800 -0.100 0.000 1.432 438 D HN -0.027 nan 8.370 nan 0.000 0.544 439 Y N 0.752 121.036 120.300 -0.028 0.000 2.483 439 Y HA -0.104 4.444 4.550 -0.004 0.000 0.291 439 Y C 2.598 178.507 175.900 0.015 0.000 1.143 439 Y CA 1.476 59.571 58.100 -0.008 0.000 1.289 439 Y CB -0.922 37.532 38.460 -0.009 0.000 0.983 439 Y HN 0.428 nan 8.280 nan 0.000 0.556 440 T N -2.750 111.884 114.554 0.134 0.000 3.072 440 T HA -0.042 4.306 4.350 -0.004 0.000 0.266 440 T C 0.727 175.480 174.700 0.087 0.000 1.127 440 T CA 0.372 62.527 62.100 0.093 0.000 1.107 440 T CB -0.103 68.794 68.868 0.049 0.000 0.910 440 T HN -0.123 nan 8.240 nan 0.000 0.513 441 K N 2.406 122.862 120.400 0.093 0.000 2.244 441 K HA 0.507 4.825 4.320 -0.004 0.000 0.263 441 K C -1.183 175.489 176.600 0.120 0.000 1.103 441 K CA -0.314 56.028 56.287 0.091 0.000 0.966 441 K CB 1.180 33.729 32.500 0.082 0.000 1.429 441 K HN 0.176 nan 8.250 nan 0.000 0.434 442 V N 2.469 122.449 119.914 0.110 0.000 2.444 442 V HA 0.296 4.413 4.120 -0.004 0.000 0.294 442 V C -0.097 176.052 176.094 0.092 0.000 1.022 442 V CA -0.682 61.694 62.300 0.127 0.000 0.850 442 V CB 1.972 33.894 31.823 0.165 0.000 0.992 442 V HN 0.528 nan 8.190 nan 0.000 0.426 443 T N 3.583 118.160 114.554 0.038 0.000 2.779 443 T HA 0.230 4.577 4.350 -0.004 0.000 0.280 443 T C -0.263 174.367 174.700 -0.117 0.000 0.987 443 T CA -0.240 61.836 62.100 -0.039 0.000 0.966 443 T CB 1.210 70.019 68.868 -0.099 0.000 0.933 443 T HN 0.752 nan 8.240 nan 0.000 0.442 444 C N 5.397 124.571 119.300 -0.210 0.000 2.464 444 C HA 0.351 4.808 4.460 -0.004 0.000 0.370 444 C C 1.760 176.437 174.990 -0.522 0.000 1.267 444 C CA -0.501 58.136 59.018 -0.636 0.000 1.781 444 C CB -1.895 25.407 27.740 -0.731 0.000 2.431 444 C HN 0.971 nan 8.230 nan 0.000 0.556 445 L N 4.536 125.411 121.223 -0.580 0.000 2.375 445 L HA 0.054 4.392 4.340 -0.004 0.000 0.215 445 L C 2.196 178.751 176.870 -0.526 0.000 1.108 445 L CA 1.123 55.697 54.840 -0.442 0.000 0.830 445 L CB -0.195 41.626 42.059 -0.397 0.000 0.959 445 L HN 0.896 nan 8.230 nan 0.000 0.457 446 S N -3.396 111.879 115.700 -0.709 0.000 2.589 446 S HA -0.015 4.452 4.470 -0.004 0.000 0.235 446 S C 1.837 176.033 174.600 -0.674 0.000 1.051 446 S CA -0.134 57.548 58.200 -0.864 0.000 0.978 446 S CB -0.314 61.982 63.200 -1.506 0.000 0.929 446 S HN 0.276 nan 8.310 nan 0.000 0.523 447 C N 2.665 121.543 119.300 -0.704 0.000 2.385 447 C HA -0.027 4.431 4.460 -0.004 0.000 0.275 447 C C 2.259 176.912 174.990 -0.562 0.000 1.207 447 C CA 1.161 59.666 59.018 -0.855 0.000 1.760 447 C CB -0.846 26.190 27.740 -1.175 0.000 2.051 447 C HN 0.604 nan 8.230 nan 0.000 0.467 448 E N 0.136 120.121 120.200 -0.360 0.000 2.476 448 E HA 0.191 4.539 4.350 -0.004 0.000 0.196 448 E C 1.838 178.375 176.600 -0.105 0.000 1.029 448 E CA -0.061 56.235 56.400 -0.174 0.000 0.896 448 E CB -0.194 29.434 29.700 -0.121 0.000 1.012 448 E HN 0.645 nan 8.360 nan 0.000 0.475 449 L N 0.410 121.563 121.223 -0.118 0.000 1.989 449 L HA -0.167 4.171 4.340 -0.004 0.000 0.211 449 L C 0.108 176.980 176.870 0.003 0.000 1.071 449 L CA 1.304 56.118 54.840 -0.044 0.000 0.749 449 L CB -0.176 41.867 42.059 -0.027 0.000 0.890 449 L HN 0.029 nan 8.230 nan 0.000 0.431 450 N N -1.602 117.117 118.700 0.031 0.000 2.710 450 N HA 0.127 4.865 4.740 -0.004 0.000 0.244 450 N C -2.135 173.392 175.510 0.028 0.000 1.321 450 N CA -0.738 52.325 53.050 0.021 0.000 0.758 450 N CB 1.146 39.640 38.487 0.012 0.000 1.284 450 N HN -0.116 nan 8.380 nan 0.000 0.530 451 P HA -0.136 nan 4.420 nan 0.000 0.219 451 P C 0.503 177.843 177.300 0.068 0.000 1.146 451 P CA 1.315 64.456 63.100 0.068 0.000 0.808 451 P CB 0.632 32.393 31.700 0.101 0.000 0.779 452 E N -0.303 119.920 120.200 0.037 0.000 2.046 452 E HA -0.081 4.266 4.350 -0.004 0.000 0.190 452 E C 2.325 178.927 176.600 0.002 0.000 0.982 452 E CA 0.899 57.314 56.400 0.024 0.000 0.800 452 E CB -0.543 29.164 29.700 0.011 0.000 0.756 452 E HN 0.158 nan 8.360 nan 0.000 0.449 453 R N -0.699 119.790 120.500 -0.018 0.000 2.173 453 R HA 0.148 4.486 4.340 -0.004 0.000 0.208 453 R C -0.363 175.886 176.300 -0.084 0.000 1.035 453 R CA 0.552 56.618 56.100 -0.056 0.000 1.004 453 R CB 0.317 30.575 30.300 -0.070 0.000 0.917 453 R HN 0.134 nan 8.270 nan 0.000 0.462 454 c N 0.655 119.213 118.600 -0.070 0.000 2.478 454 c HA 0.382 4.949 4.570 -0.004 0.000 0.334 454 c C -0.049 173.990 174.090 -0.085 0.000 1.106 454 c CA -0.697 55.528 56.329 -0.174 0.000 1.363 454 c CB 1.422 43.802 42.510 -0.218 0.000 1.941 454 c HN 0.513 nan 8.230 nan 0.000 0.436 455 Q N 0.453 120.203 119.800 -0.083 0.000 2.140 455 Q HA 0.209 4.547 4.340 -0.004 0.000 0.227 455 Q C -0.923 175.116 176.000 0.066 0.000 0.798 455 Q CA 0.130 55.964 55.803 0.051 0.000 0.987 455 Q CB 1.413 30.210 28.738 0.099 0.000 1.161 455 Q HN 0.775 nan 8.270 nan 0.000 0.480 456 Y N 0.389 120.555 120.300 -0.225 0.000 2.373 456 Y HA 0.359 4.907 4.550 -0.004 0.000 0.327 456 Y C -1.679 174.048 175.900 -0.288 0.000 1.036 456 Y CA -1.053 56.949 58.100 -0.163 0.000 1.265 456 Y CB 0.745 39.129 38.460 -0.127 0.000 1.108 456 Y HN -0.081 nan 8.280 nan 0.000 0.471 457 Y N 2.479 122.725 120.300 -0.090 0.000 2.446 457 Y HA 0.637 5.185 4.550 -0.004 0.000 0.338 457 Y C 0.344 176.204 175.900 -0.068 0.000 1.055 457 Y CA -0.523 57.532 58.100 -0.073 0.000 1.101 457 Y CB 2.174 40.551 38.460 -0.139 0.000 1.221 457 Y HN 0.533 nan 8.280 nan 0.000 0.460 458 S N 1.045 116.842 115.700 0.161 0.000 2.677 458 S HA 0.882 5.349 4.470 -0.004 0.000 0.304 458 S C -1.460 173.213 174.600 0.121 0.000 1.108 458 S CA -0.763 57.514 58.200 0.128 0.000 0.944 458 S CB 1.905 65.191 63.200 0.143 0.000 1.127 458 S HN 0.586 nan 8.310 nan 0.000 0.511 459 V N 0.161 120.138 119.914 0.105 0.000 3.049 459 V HA 0.834 4.952 4.120 -0.004 0.000 0.309 459 V C -1.224 174.936 176.094 0.110 0.000 1.148 459 V CA -0.329 61.998 62.300 0.045 0.000 0.990 459 V CB 2.343 34.100 31.823 -0.109 0.000 1.039 459 V HN 1.138 nan 8.190 nan 0.000 0.430 460 S N 4.734 120.490 115.700 0.094 0.000 2.774 460 S HA 0.654 5.122 4.470 -0.004 0.000 0.297 460 S C -1.164 173.563 174.600 0.212 0.000 1.143 460 S CA -0.378 57.974 58.200 0.254 0.000 1.090 460 S CB 0.314 63.724 63.200 0.351 0.000 1.019 460 S HN 0.488 nan 8.310 nan 0.000 0.482 461 F N 3.210 123.221 119.950 0.102 0.000 2.375 461 F HA 0.413 4.937 4.527 -0.004 0.000 0.333 461 F C 1.443 176.876 175.800 -0.612 0.000 1.104 461 F CA -0.198 57.707 58.000 -0.159 0.000 1.149 461 F CB 1.339 40.229 39.000 -0.184 0.000 1.190 461 F HN 0.635 nan 8.300 nan 0.000 0.533 462 S N 2.390 117.501 115.700 -0.982 0.000 2.606 462 S HA 0.109 4.576 4.470 -0.004 0.000 0.257 462 S C 1.273 175.660 174.600 -0.355 0.000 1.327 462 S CA -0.730 56.669 58.200 -1.336 0.000 0.984 462 S CB 0.709 63.161 63.200 -1.247 0.000 0.941 462 S HN 0.556 nan 8.310 nan 0.000 0.576 463 K N 0.824 121.147 120.400 -0.129 0.000 2.063 463 K HA -0.045 4.273 4.320 -0.004 0.000 0.208 463 K C 0.891 177.505 176.600 0.023 0.000 1.048 463 K CA 1.438 57.741 56.287 0.027 0.000 0.928 463 K CB -0.412 32.147 32.500 0.098 0.000 0.713 463 K HN 0.690 nan 8.250 nan 0.000 0.442 464 E N -0.615 119.589 120.200 0.006 0.000 2.585 464 E HA 0.251 4.599 4.350 -0.004 0.000 0.206 464 E C -0.073 176.510 176.600 -0.028 0.000 1.007 464 E CA -0.063 56.343 56.400 0.011 0.000 1.028 464 E CB 0.545 30.268 29.700 0.038 0.000 1.087 464 E HN 0.196 nan 8.360 nan 0.000 0.455 465 A N 1.370 124.155 122.820 -0.058 0.000 2.826 465 A HA -0.327 3.990 4.320 -0.004 0.000 0.274 465 A C 1.548 179.120 177.584 -0.021 0.000 1.443 465 A CA 1.690 53.708 52.037 -0.032 0.000 0.833 465 A CB -2.019 16.821 19.000 -0.267 0.000 1.023 465 A HN 0.302 nan 8.150 nan 0.000 0.600 466 K N -1.819 118.509 120.400 -0.121 0.000 2.148 466 K HA 0.043 4.361 4.320 -0.004 0.000 0.204 466 K C 0.030 176.251 176.600 -0.632 0.000 1.050 466 K CA 1.481 57.569 56.287 -0.332 0.000 0.942 466 K CB -0.032 32.265 32.500 -0.340 0.000 0.724 466 K HN 0.685 nan 8.250 nan 0.000 0.446 467 Y N -0.917 119.321 120.300 -0.103 0.000 2.581 467 Y HA 0.307 4.855 4.550 -0.004 0.000 0.345 467 Y C -1.004 174.814 175.900 -0.137 0.000 1.036 467 Y CA -1.396 56.629 58.100 -0.126 0.000 1.042 467 Y CB 1.640 40.044 38.460 -0.093 0.000 1.289 467 Y HN -0.047 nan 8.280 nan 0.000 0.471 468 Y N -0.915 119.355 120.300 -0.050 0.000 2.492 468 Y HA 0.553 5.101 4.550 -0.004 0.000 0.346 468 Y C -1.024 174.885 175.900 0.015 0.000 0.997 468 Y CA -1.512 56.405 58.100 -0.306 0.000 1.025 468 Y CB 1.481 39.270 38.460 -1.119 0.000 1.263 468 Y HN 0.594 nan 8.280 nan 0.000 0.454 469 Q N 4.009 123.927 119.800 0.198 0.000 2.303 469 Q HA 0.498 4.835 4.340 -0.004 0.000 0.257 469 Q C -1.618 174.474 176.000 0.155 0.000 0.941 469 Q CA -0.604 55.288 55.803 0.150 0.000 0.931 469 Q CB 1.079 29.884 28.738 0.112 0.000 1.215 469 Q HN 0.964 nan 8.270 nan 0.000 0.437 470 L N 4.317 125.659 121.223 0.198 0.000 2.289 470 L HA 0.492 4.829 4.340 -0.004 0.000 0.285 470 L C 0.073 177.025 176.870 0.136 0.000 1.049 470 L CA -0.409 54.539 54.840 0.180 0.000 0.804 470 L CB 1.275 43.438 42.059 0.174 0.000 1.195 470 L HN 0.555 nan 8.230 nan 0.000 0.428 471 R N 3.653 124.208 120.500 0.093 0.000 2.310 471 R HA 0.309 4.646 4.340 -0.004 0.000 0.316 471 R C -0.953 175.204 176.300 -0.238 0.000 1.004 471 R CA -0.516 55.472 56.100 -0.187 0.000 0.900 471 R CB 1.152 31.411 30.300 -0.068 0.000 1.152 471 R HN 0.734 nan 8.270 nan 0.000 0.513 472 c N 4.042 122.375 118.600 -0.445 0.000 2.415 472 c HA 0.380 4.948 4.570 -0.004 0.000 0.369 472 c C 1.386 175.222 174.090 -0.424 0.000 1.279 472 c CA -0.125 55.828 56.329 -0.627 0.000 1.886 472 c CB 0.433 42.544 42.510 -0.665 0.000 2.468 472 c HN 0.947 nan 8.230 nan 0.000 0.553 473 S N 3.798 119.338 115.700 -0.268 0.000 2.629 473 S HA 0.604 5.072 4.470 -0.004 0.000 0.236 473 S C 0.433 174.967 174.600 -0.110 0.000 1.010 473 S CA 0.254 58.361 58.200 -0.156 0.000 0.981 473 S CB 0.019 63.162 63.200 -0.096 0.000 0.919 473 S HN 1.955 nan 8.310 nan 0.000 0.514 474 G N 1.781 110.503 108.800 -0.130 0.000 2.337 474 G HA2 0.355 4.313 3.960 -0.004 0.000 0.298 474 G HA3 0.355 4.313 3.960 -0.004 0.000 0.298 474 G C -3.029 171.835 174.900 -0.060 0.000 1.335 474 G CA -0.402 44.665 45.100 -0.056 0.000 0.875 474 G HN -0.119 nan 8.290 nan 0.000 0.579 475 P HA 0.144 nan 4.420 nan 0.000 0.236 475 P C 1.287 178.616 177.300 0.049 0.000 1.177 475 P CA 1.358 64.480 63.100 0.036 0.000 0.773 475 P CB 0.372 32.092 31.700 0.033 0.000 0.878 476 G N 0.345 109.105 108.800 -0.067 0.000 2.510 476 G HA2 0.407 4.365 3.960 -0.004 0.000 0.280 476 G HA3 0.407 4.365 3.960 -0.004 0.000 0.280 476 G C -0.364 174.295 174.900 -0.402 0.000 1.386 476 G CA -0.755 44.232 45.100 -0.190 0.000 1.047 476 G HN 0.040 nan 8.290 nan 0.000 0.527 477 L N 1.419 122.332 121.223 -0.517 0.000 2.453 477 L HA 0.173 4.510 4.340 -0.004 0.000 0.272 477 L C -1.841 174.852 176.870 -0.295 0.000 1.182 477 L CA -1.304 53.188 54.840 -0.581 0.000 0.858 477 L CB 0.807 42.605 42.059 -0.436 0.000 1.120 477 L HN 0.235 nan 8.230 nan 0.000 0.474 478 P HA -0.002 nan 4.420 nan 0.000 0.265 478 P C -0.924 176.287 177.300 -0.147 0.000 1.187 478 P CA 0.039 63.037 63.100 -0.170 0.000 0.766 478 P CB 0.517 32.201 31.700 -0.027 0.000 0.820 479 L N 5.079 126.124 121.223 -0.296 0.000 2.409 479 L HA 0.483 4.820 4.340 -0.004 0.000 0.272 479 L C -1.759 174.933 176.870 -0.297 0.000 0.980 479 L CA -0.731 54.007 54.840 -0.170 0.000 0.826 479 L CB 0.982 42.964 42.059 -0.129 0.000 1.268 479 L HN 0.222 nan 8.230 nan 0.000 0.407 480 Y N 2.749 123.008 120.300 -0.067 0.000 2.341 480 Y HA 0.759 5.306 4.550 -0.004 0.000 0.338 480 Y C 0.450 176.244 175.900 -0.177 0.000 0.965 480 Y CA -0.474 57.569 58.100 -0.094 0.000 1.108 480 Y CB 2.172 40.563 38.460 -0.114 0.000 1.180 480 Y HN 0.680 nan 8.280 nan 0.000 0.458 481 T N 0.760 115.302 114.554 -0.019 0.000 2.896 481 T HA 0.730 5.078 4.350 -0.004 0.000 0.297 481 T C -1.603 172.950 174.700 -0.245 0.000 1.108 481 T CA -0.870 61.134 62.100 -0.161 0.000 1.004 481 T CB 1.989 70.804 68.868 -0.089 0.000 1.159 481 T HN 0.389 nan 8.240 nan 0.000 0.499 482 L N 1.587 122.528 121.223 -0.470 0.000 2.346 482 L HA 0.660 4.998 4.340 -0.004 0.000 0.274 482 L C -0.898 175.542 176.870 -0.717 0.000 1.007 482 L CA -0.359 54.238 54.840 -0.405 0.000 0.818 482 L CB 1.454 43.354 42.059 -0.265 0.000 1.284 482 L HN 0.835 nan 8.230 nan 0.000 0.424 483 H N 1.251 120.102 119.070 -0.364 0.000 2.930 483 H HA 0.482 5.035 4.556 -0.004 0.000 0.371 483 H C -0.972 174.123 175.328 -0.388 0.000 1.169 483 H CA -0.830 54.896 56.048 -0.537 0.000 1.157 483 H CB 2.020 31.087 29.762 -1.159 0.000 1.789 483 H HN 0.570 nan 8.280 nan 0.000 0.547 484 S N 0.744 116.384 115.700 -0.099 0.000 2.457 484 S HA 0.175 4.643 4.470 -0.004 0.000 0.289 484 S C 0.841 175.393 174.600 -0.080 0.000 1.163 484 S CA -0.741 57.413 58.200 -0.077 0.000 1.078 484 S CB 1.651 64.841 63.200 -0.017 0.000 0.987 484 S HN 0.560 nan 8.310 nan 0.000 0.482 485 S N 1.957 117.623 115.700 -0.058 0.000 2.428 485 S HA -0.086 4.382 4.470 -0.004 0.000 0.230 485 S C 1.794 176.428 174.600 0.056 0.000 1.014 485 S CA 0.676 58.965 58.200 0.149 0.000 0.957 485 S CB -0.287 62.996 63.200 0.137 0.000 0.784 485 S HN 0.662 nan 8.310 nan 0.000 0.499 486 V N 3.647 123.538 119.914 -0.039 0.000 2.490 486 V HA -0.140 3.978 4.120 -0.004 0.000 0.250 486 V C 1.209 177.301 176.094 -0.003 0.000 1.061 486 V CA 2.067 64.353 62.300 -0.023 0.000 1.064 486 V CB -0.455 31.336 31.823 -0.054 0.000 0.670 486 V HN 0.819 nan 8.190 nan 0.000 0.461 487 N N -3.195 115.503 118.700 -0.003 0.000 2.082 487 N HA 0.050 4.788 4.740 -0.004 0.000 0.228 487 N C -0.320 175.195 175.510 0.009 0.000 1.341 487 N CA 0.287 53.337 53.050 0.001 0.000 0.873 487 N CB 0.569 39.056 38.487 -0.000 0.000 1.137 487 N HN 0.281 nan 8.380 nan 0.000 0.505 488 D N 1.038 121.461 120.400 0.039 0.000 2.792 488 D HA -0.123 4.515 4.640 -0.004 0.000 0.231 488 D C -0.553 175.774 176.300 0.044 0.000 1.160 488 D CA 1.172 55.219 54.000 0.079 0.000 0.697 488 D CB -0.393 40.443 40.800 0.060 0.000 1.070 488 D HN 0.407 nan 8.370 nan 0.000 0.426 489 K N 0.273 120.686 120.400 0.021 0.000 2.118 489 K HA 0.492 4.809 4.320 -0.004 0.000 0.267 489 K C 0.878 177.486 176.600 0.014 0.000 0.991 489 K CA -0.450 55.848 56.287 0.017 0.000 0.916 489 K CB 1.273 33.771 32.500 -0.003 0.000 1.041 489 K HN 0.102 nan 8.250 nan 0.000 0.455 490 G N 2.160 110.963 108.800 0.004 0.000 2.364 490 G HA2 0.278 4.235 3.960 -0.004 0.000 0.267 490 G HA3 0.278 4.235 3.960 -0.004 0.000 0.267 490 G C 0.865 175.650 174.900 -0.192 0.000 1.233 490 G CA -0.386 44.610 45.100 -0.174 0.000 0.885 490 G HN 0.495 nan 8.290 nan 0.000 0.490 491 L N 1.721 122.779 121.223 -0.274 0.000 2.200 491 L HA 0.337 4.675 4.340 -0.004 0.000 0.200 491 L C 1.554 178.328 176.870 -0.161 0.000 1.072 491 L CA 0.670 55.410 54.840 -0.165 0.000 0.787 491 L CB -0.144 41.833 42.059 -0.138 0.000 0.957 491 L HN 0.730 nan 8.230 nan 0.000 0.459 492 R N -1.645 118.717 120.500 -0.231 0.000 2.728 492 R HA 0.421 4.759 4.340 -0.004 0.000 0.274 492 R C -1.649 174.508 176.300 -0.239 0.000 1.032 492 R CA -0.858 55.128 56.100 -0.189 0.000 0.866 492 R CB 1.431 31.645 30.300 -0.142 0.000 1.263 492 R HN -0.273 nan 8.270 nan 0.000 0.475 493 V N 3.052 122.855 119.914 -0.185 0.000 2.461 493 V HA 0.164 4.282 4.120 -0.004 0.000 0.275 493 V C 1.304 177.250 176.094 -0.246 0.000 1.047 493 V CA -0.326 61.864 62.300 -0.183 0.000 0.955 493 V CB 1.146 32.902 31.823 -0.111 0.000 0.988 493 V HN 0.655 nan 8.190 nan 0.000 0.471 494 L N 2.493 123.504 121.223 -0.353 0.000 2.221 494 L HA 0.303 4.641 4.340 -0.004 0.000 0.202 494 L C 0.707 177.336 176.870 -0.401 0.000 1.074 494 L CA 0.690 55.139 54.840 -0.651 0.000 0.795 494 L CB 0.213 41.494 42.059 -1.296 0.000 0.960 494 L HN 0.676 nan 8.230 nan 0.000 0.458 495 E N -0.127 119.975 120.200 -0.163 0.000 2.307 495 E HA 0.105 4.453 4.350 -0.004 0.000 0.280 495 E C -1.177 175.480 176.600 0.096 0.000 0.900 495 E CA -0.367 56.042 56.400 0.014 0.000 0.790 495 E CB 1.183 30.912 29.700 0.048 0.000 1.261 495 E HN 0.166 nan 8.360 nan 0.000 0.405 496 D N 3.010 123.438 120.400 0.047 0.000 2.469 496 D HA 0.128 4.766 4.640 -0.004 0.000 0.213 496 D C -0.316 175.993 176.300 0.016 0.000 1.135 496 D CA -0.211 53.803 54.000 0.024 0.000 0.834 496 D CB -0.040 40.753 40.800 -0.012 0.000 1.009 496 D HN 0.448 nan 8.370 nan 0.000 0.507 497 N N 0.486 119.212 118.700 0.042 0.000 2.735 497 N HA -0.213 4.525 4.740 -0.004 0.000 0.248 497 N C 0.932 176.444 175.510 0.004 0.000 1.083 497 N CA 0.913 53.980 53.050 0.029 0.000 0.703 497 N CB -1.296 37.198 38.487 0.012 0.000 1.005 497 N HN 0.498 nan 8.380 nan 0.000 0.550 498 S N -1.141 114.563 115.700 0.008 0.000 2.402 498 S HA -0.022 4.446 4.470 -0.004 0.000 0.229 498 S C 2.109 176.720 174.600 0.019 0.000 1.021 498 S CA 0.894 59.096 58.200 0.003 0.000 0.974 498 S CB -0.093 63.110 63.200 0.004 0.000 0.800 498 S HN 0.509 nan 8.310 nan 0.000 0.484 499 A N 2.196 125.036 122.820 0.034 0.000 1.865 499 A HA 0.022 4.339 4.320 -0.004 0.000 0.217 499 A C 2.254 179.878 177.584 0.067 0.000 1.191 499 A CA 1.708 53.775 52.037 0.050 0.000 0.623 499 A CB -1.000 18.033 19.000 0.056 0.000 0.826 499 A HN 0.530 nan 8.150 nan 0.000 0.444 500 L N 0.306 121.571 121.223 0.071 0.000 2.046 500 L HA -0.151 4.186 4.340 -0.004 0.000 0.208 500 L C 1.960 178.859 176.870 0.050 0.000 1.077 500 L CA 2.817 57.714 54.840 0.095 0.000 0.747 500 L CB -0.764 41.352 42.059 0.094 0.000 0.896 500 L HN 0.516 nan 8.230 nan 0.000 0.432 501 D N -0.705 119.695 120.400 0.001 0.000 2.116 501 D HA -0.265 4.372 4.640 -0.004 0.000 0.193 501 D C 2.189 178.491 176.300 0.002 0.000 0.998 501 D CA 1.398 55.382 54.000 -0.026 0.000 0.836 501 D CB -0.053 40.723 40.800 -0.041 0.000 0.951 501 D HN 0.150 nan 8.370 nan 0.000 0.449 502 K N -0.187 120.227 120.400 0.025 0.000 2.026 502 K HA -0.128 4.189 4.320 -0.004 0.000 0.208 502 K C 2.269 178.905 176.600 0.060 0.000 1.048 502 K CA 1.020 57.329 56.287 0.037 0.000 0.929 502 K CB -0.342 32.183 32.500 0.042 0.000 0.713 502 K HN 0.327 nan 8.250 nan 0.000 0.439 503 M N 0.542 120.201 119.600 0.098 0.000 2.080 503 M HA -0.191 4.287 4.480 -0.004 0.000 0.260 503 M C 2.224 178.576 176.300 0.086 0.000 1.068 503 M CA 1.512 56.915 55.300 0.171 0.000 1.109 503 M CB -0.323 32.470 32.600 0.323 0.000 1.342 503 M HN 0.089 nan 8.290 nan 0.000 0.405 504 L N -0.213 121.005 121.223 -0.009 0.000 2.362 504 L HA -0.190 4.148 4.340 -0.004 0.000 0.219 504 L C 2.518 179.354 176.870 -0.056 0.000 1.134 504 L CA 0.550 55.320 54.840 -0.116 0.000 0.807 504 L CB -0.654 41.345 42.059 -0.101 0.000 0.927 504 L HN 0.380 nan 8.230 nan 0.000 0.447 505 Q N 0.131 119.924 119.800 -0.012 0.000 2.226 505 Q HA -0.129 4.208 4.340 -0.004 0.000 0.204 505 Q C 1.323 177.332 176.000 0.016 0.000 0.975 505 Q CA 1.020 56.824 55.803 0.001 0.000 0.866 505 Q CB -0.290 28.455 28.738 0.012 0.000 0.915 505 Q HN 0.624 nan 8.270 nan 0.000 0.440 506 N N 0.147 118.865 118.700 0.031 0.000 2.322 506 N HA 0.048 4.785 4.740 -0.004 0.000 0.194 506 N C -0.351 175.191 175.510 0.053 0.000 1.126 506 N CA 0.126 53.209 53.050 0.054 0.000 0.845 506 N CB 1.152 39.691 38.487 0.086 0.000 0.976 506 N HN -0.035 nan 8.380 nan 0.000 0.475 507 V N 1.158 121.078 119.914 0.010 0.000 2.604 507 V HA 0.185 4.303 4.120 -0.004 0.000 0.305 507 V C 0.144 176.237 176.094 -0.002 0.000 1.043 507 V CA -0.877 61.425 62.300 0.003 0.000 0.888 507 V CB 2.466 34.228 31.823 -0.101 0.000 0.995 507 V HN 0.007 nan 8.190 nan 0.000 0.429 508 Q N 4.372 124.189 119.800 0.028 0.000 2.489 508 Q HA 0.275 4.613 4.340 -0.004 0.000 0.231 508 Q C -0.447 175.533 176.000 -0.034 0.000 1.273 508 Q CA -0.088 55.711 55.803 -0.007 0.000 0.898 508 Q CB 0.286 29.048 28.738 0.040 0.000 1.545 508 Q HN 0.524 nan 8.270 nan 0.000 0.538 509 M N 3.567 123.124 119.600 -0.072 0.000 2.274 509 M HA 0.368 4.846 4.480 -0.004 0.000 0.344 509 M C -1.981 174.247 176.300 -0.120 0.000 1.161 509 M CA -2.448 52.797 55.300 -0.092 0.000 1.126 509 M CB 0.149 32.697 32.600 -0.086 0.000 1.522 509 M HN 0.274 nan 8.290 nan 0.000 0.461 510 P HA 0.259 nan 4.420 nan 0.000 0.276 510 P C -0.748 176.461 177.300 -0.153 0.000 1.261 510 P CA -0.368 62.637 63.100 -0.158 0.000 0.800 510 P CB 0.600 32.192 31.700 -0.179 0.000 1.066 511 S N -0.601 114.996 115.700 -0.170 0.000 2.718 511 S HA 0.633 5.101 4.470 -0.004 0.000 0.300 511 S C -0.530 173.964 174.600 -0.176 0.000 1.117 511 S CA -0.741 57.370 58.200 -0.149 0.000 1.002 511 S CB 1.602 64.718 63.200 -0.139 0.000 1.092 511 S HN 0.515 nan 8.310 nan 0.000 0.542 512 K N 0.457 120.775 120.400 -0.136 0.000 2.426 512 K HA 0.418 4.736 4.320 -0.004 0.000 0.254 512 K C -1.369 175.163 176.600 -0.113 0.000 0.936 512 K CA -0.525 55.684 56.287 -0.129 0.000 0.801 512 K CB 1.435 33.878 32.500 -0.095 0.000 1.139 512 K HN 0.731 nan 8.250 nan 0.000 0.424 513 K N 4.839 125.159 120.400 -0.133 0.000 2.206 513 K HA 0.360 4.677 4.320 -0.004 0.000 0.264 513 K C -1.570 174.962 176.600 -0.113 0.000 0.967 513 K CA -0.838 55.379 56.287 -0.118 0.000 0.844 513 K CB 1.006 33.422 32.500 -0.140 0.000 1.099 513 K HN 0.468 nan 8.250 nan 0.000 0.441 514 L N 4.073 125.247 121.223 -0.083 0.000 2.343 514 L HA 0.537 4.875 4.340 -0.004 0.000 0.278 514 L C -1.369 175.475 176.870 -0.043 0.000 0.996 514 L CA 0.114 54.935 54.840 -0.032 0.000 0.831 514 L CB 1.445 43.564 42.059 0.099 0.000 1.232 514 L HN 0.824 nan 8.230 nan 0.000 0.413 515 D N 2.656 122.860 120.400 -0.326 0.000 2.825 515 D HA 0.540 5.178 4.640 -0.004 0.000 0.327 515 D C -1.574 174.366 176.300 -0.600 0.000 1.277 515 D CA -0.016 53.687 54.000 -0.495 0.000 0.950 515 D CB 1.626 42.085 40.800 -0.569 0.000 1.438 515 D HN 0.223 nan 8.370 nan 0.000 0.526 516 F N -0.197 119.420 119.950 -0.556 0.000 2.613 516 F HA 0.730 5.254 4.527 -0.004 0.000 0.314 516 F C -0.617 175.238 175.800 0.092 0.000 1.075 516 F CA -1.148 56.603 58.000 -0.415 0.000 0.945 516 F CB 0.995 39.292 39.000 -1.173 0.000 1.310 516 F HN 0.263 nan 8.300 nan 0.000 0.467 517 I N 0.205 121.058 120.570 0.471 0.000 2.740 517 I HA 0.665 4.833 4.170 -0.004 0.000 0.303 517 I C -1.306 175.052 176.117 0.401 0.000 1.044 517 I CA -1.178 60.345 61.300 0.371 0.000 1.064 517 I CB 2.364 40.544 38.000 0.299 0.000 1.249 517 I HN 0.649 nan 8.210 nan 0.000 0.433 518 I N 5.481 126.228 120.570 0.296 0.000 2.312 518 I HA 0.381 4.548 4.170 -0.004 0.000 0.290 518 I C -0.692 175.560 176.117 0.224 0.000 1.008 518 I CA -0.362 61.080 61.300 0.237 0.000 1.226 518 I CB 1.222 39.323 38.000 0.169 0.000 1.371 518 I HN 0.374 nan 8.210 nan 0.000 0.468 519 L N 6.801 128.212 121.223 0.315 0.000 2.356 519 L HA 0.465 4.803 4.340 -0.004 0.000 0.277 519 L C -0.028 176.985 176.870 0.238 0.000 0.996 519 L CA -0.851 54.149 54.840 0.267 0.000 0.822 519 L CB 1.352 43.588 42.059 0.296 0.000 1.256 519 L HN 0.569 nan 8.230 nan 0.000 0.413 520 N N 3.037 121.815 118.700 0.130 0.000 2.725 520 N HA -0.217 4.521 4.740 -0.004 0.000 0.251 520 N C 0.073 175.627 175.510 0.073 0.000 1.031 520 N CA 1.301 54.404 53.050 0.089 0.000 0.720 520 N CB -0.840 37.696 38.487 0.081 0.000 0.930 520 N HN 0.875 nan 8.380 nan 0.000 0.543 521 E N -3.906 116.332 120.200 0.063 0.000 3.170 521 E HA -0.237 4.110 4.350 -0.004 0.000 0.284 521 E C -0.614 175.981 176.600 -0.008 0.000 0.967 521 E CA 1.311 57.728 56.400 0.029 0.000 0.919 521 E CB -1.751 27.958 29.700 0.014 0.000 1.469 521 E HN 0.490 nan 8.360 nan 0.000 0.444 522 T N 0.788 115.337 114.554 -0.007 0.000 2.829 522 T HA 0.359 4.707 4.350 -0.004 0.000 0.280 522 T C -0.044 174.500 174.700 -0.260 0.000 0.999 522 T CA -0.754 61.239 62.100 -0.179 0.000 0.983 522 T CB 1.608 70.305 68.868 -0.285 0.000 0.968 522 T HN 0.002 nan 8.240 nan 0.000 0.446 523 K N 2.305 122.496 120.400 -0.347 0.000 2.379 523 K HA 0.375 4.692 4.320 -0.004 0.000 0.284 523 K C -0.968 175.353 176.600 -0.465 0.000 1.044 523 K CA 0.156 56.238 56.287 -0.342 0.000 0.974 523 K CB 0.351 32.514 32.500 -0.562 0.000 0.962 523 K HN 0.440 nan 8.250 nan 0.000 0.474 524 F N 2.138 122.140 119.950 0.087 0.000 2.518 524 F HA 0.302 4.826 4.527 -0.004 0.000 0.323 524 F C -0.494 175.381 175.800 0.125 0.000 1.129 524 F CA -0.882 57.178 58.000 0.099 0.000 0.920 524 F CB 1.034 40.111 39.000 0.128 0.000 1.160 524 F HN 0.414 nan 8.300 nan 0.000 0.440 525 W N 3.881 125.311 121.300 0.217 0.000 2.313 525 W HA 0.487 5.145 4.660 -0.004 0.000 0.328 525 W C -0.622 176.075 176.519 0.297 0.000 1.197 525 W CA -0.569 56.929 57.345 0.256 0.000 1.235 525 W CB 0.674 30.227 29.460 0.155 0.000 1.158 525 W HN 0.431 nan 8.180 nan 0.000 0.578 526 Y N -0.028 120.576 120.300 0.507 0.000 2.581 526 Y HA 0.636 5.183 4.550 -0.004 0.000 0.345 526 Y C -0.857 175.254 175.900 0.351 0.000 1.036 526 Y CA -1.819 56.580 58.100 0.498 0.000 1.042 526 Y CB 1.162 40.067 38.460 0.741 0.000 1.289 526 Y HN 0.561 nan 8.280 nan 0.000 0.471 527 Q N 2.758 122.763 119.800 0.341 0.000 2.413 527 Q HA 0.742 5.079 4.340 -0.004 0.000 0.276 527 Q C -1.724 174.374 176.000 0.162 0.000 1.099 527 Q CA -1.158 54.730 55.803 0.141 0.000 0.814 527 Q CB 3.171 31.968 28.738 0.098 0.000 1.379 527 Q HN 0.886 nan 8.270 nan 0.000 0.436 528 M N 2.643 122.259 119.600 0.026 0.000 2.259 528 M HA 0.415 4.892 4.480 -0.004 0.000 0.304 528 M C -1.140 175.066 176.300 -0.156 0.000 1.019 528 M CA -0.959 54.289 55.300 -0.085 0.000 0.922 528 M CB 2.069 34.570 32.600 -0.165 0.000 1.600 528 M HN 0.596 nan 8.290 nan 0.000 0.433 529 I N 5.204 125.683 120.570 -0.151 0.000 2.337 529 I HA 0.309 4.477 4.170 -0.004 0.000 0.291 529 I C -0.405 175.546 176.117 -0.277 0.000 1.046 529 I CA -0.135 61.049 61.300 -0.193 0.000 1.324 529 I CB -0.095 37.812 38.000 -0.155 0.000 1.409 529 I HN 0.639 nan 8.210 nan 0.000 0.494 530 L N 8.398 129.408 121.223 -0.355 0.000 2.317 530 L HA 0.472 4.809 4.340 -0.004 0.000 0.281 530 L C -2.217 174.453 176.870 -0.332 0.000 1.024 530 L CA -1.882 52.650 54.840 -0.513 0.000 0.810 530 L CB 1.500 43.062 42.059 -0.828 0.000 1.240 530 L HN 0.279 nan 8.230 nan 0.000 0.427 531 P HA 0.004 nan 4.420 nan 0.000 0.267 531 P C -2.433 174.818 177.300 -0.082 0.000 1.201 531 P CA -0.673 62.356 63.100 -0.119 0.000 0.775 531 P CB -0.302 31.388 31.700 -0.016 0.000 0.854 532 P HA -0.052 nan 4.420 nan 0.000 0.267 532 P C -0.379 176.839 177.300 -0.136 0.000 1.200 532 P CA 0.495 63.460 63.100 -0.225 0.000 0.772 532 P CB -0.192 31.328 31.700 -0.301 0.000 0.855 533 H N -2.166 116.936 119.070 0.055 0.000 2.862 533 H HA -0.215 4.339 4.556 -0.004 0.000 0.290 533 H C 0.029 175.412 175.328 0.091 0.000 1.211 533 H CA -0.071 56.014 56.048 0.061 0.000 1.140 533 H CB -2.616 27.176 29.762 0.048 0.000 1.341 533 H HN 0.326 nan 8.280 nan 0.000 0.392 534 F N 2.452 122.390 119.950 -0.021 0.000 2.604 534 F HA 0.081 4.605 4.527 -0.004 0.000 0.393 534 F C 0.559 176.364 175.800 0.007 0.000 1.043 534 F CA -0.032 57.907 58.000 -0.102 0.000 1.227 534 F CB 0.402 39.221 39.000 -0.302 0.000 1.016 534 F HN 0.260 nan 8.300 nan 0.000 0.556 535 D N 6.040 126.125 120.400 -0.526 0.000 2.453 535 D HA 0.144 4.782 4.640 -0.004 0.000 0.238 535 D C 0.720 176.657 176.300 -0.605 0.000 1.088 535 D CA -0.587 53.167 54.000 -0.410 0.000 0.854 535 D CB 1.001 41.725 40.800 -0.127 0.000 1.076 535 D HN 0.662 nan 8.370 nan 0.000 0.533 536 K N 1.088 121.137 120.400 -0.585 0.000 2.362 536 K HA -0.165 4.153 4.320 -0.004 0.000 0.202 536 K C 1.163 177.756 176.600 -0.013 0.000 1.045 536 K CA 1.353 57.483 56.287 -0.262 0.000 0.936 536 K CB -0.189 32.299 32.500 -0.020 0.000 0.747 536 K HN 0.230 nan 8.250 nan 0.000 0.467 537 S N -0.170 115.490 115.700 -0.067 0.000 2.631 537 S HA 0.132 4.600 4.470 -0.004 0.000 0.217 537 S C 0.093 174.663 174.600 -0.049 0.000 0.958 537 S CA -0.520 57.663 58.200 -0.030 0.000 0.920 537 S CB 0.013 63.189 63.200 -0.040 0.000 0.776 537 S HN 0.223 nan 8.310 nan 0.000 0.517 538 K N 0.963 121.320 120.400 -0.071 0.000 2.221 538 K HA 0.485 4.803 4.320 -0.004 0.000 0.243 538 K C -0.745 175.798 176.600 -0.096 0.000 0.968 538 K CA -0.886 55.299 56.287 -0.170 0.000 0.846 538 K CB 1.001 33.267 32.500 -0.390 0.000 1.141 538 K HN -0.060 nan 8.250 nan 0.000 0.434 539 K N 2.460 122.750 120.400 -0.182 0.000 2.316 539 K HA 0.265 4.583 4.320 -0.004 0.000 0.267 539 K C -1.039 175.457 176.600 -0.172 0.000 1.025 539 K CA -0.356 55.894 56.287 -0.062 0.000 0.896 539 K CB 0.778 33.239 32.500 -0.065 0.000 1.124 539 K HN 0.479 nan 8.250 nan 0.000 0.451 540 Y N 2.871 123.206 120.300 0.058 0.000 2.387 540 Y HA 0.260 4.807 4.550 -0.004 0.000 0.330 540 Y C -1.748 174.095 175.900 -0.095 0.000 1.133 540 Y CA -2.299 55.809 58.100 0.013 0.000 1.152 540 Y CB 0.928 39.461 38.460 0.121 0.000 1.215 540 Y HN 0.446 nan 8.280 nan 0.000 0.466 541 P HA 0.111 nan 4.420 nan 0.000 0.271 541 P C -1.081 176.081 177.300 -0.230 0.000 1.218 541 P CA -0.101 62.712 63.100 -0.479 0.000 0.780 541 P CB 1.173 32.211 31.700 -1.102 0.000 0.901 542 L N 3.068 124.191 121.223 -0.168 0.000 2.381 542 L HA 0.496 4.833 4.340 -0.004 0.000 0.274 542 L C -1.111 175.940 176.870 0.302 0.000 0.988 542 L CA -1.148 53.745 54.840 0.089 0.000 0.824 542 L CB 1.640 43.775 42.059 0.125 0.000 1.263 542 L HN 0.142 nan 8.230 nan 0.000 0.410 543 L N 5.534 126.953 121.223 0.325 0.000 2.280 543 L HA 0.471 4.809 4.340 -0.004 0.000 0.287 543 L C -1.025 176.077 176.870 0.387 0.000 1.023 543 L CA -0.297 54.790 54.840 0.412 0.000 0.819 543 L CB 1.460 43.713 42.059 0.324 0.000 1.212 543 L HN 0.611 nan 8.230 nan 0.000 0.420 544 L N 5.248 126.746 121.223 0.458 0.000 2.315 544 L HA 0.350 4.688 4.340 -0.004 0.000 0.283 544 L C -0.539 176.568 176.870 0.394 0.000 1.089 544 L CA 0.238 55.336 54.840 0.431 0.000 0.833 544 L CB 0.475 42.823 42.059 0.482 0.000 1.170 544 L HN 0.646 nan 8.230 nan 0.000 0.442 545 D N 4.705 125.315 120.400 0.350 0.000 2.359 545 D HA 0.304 4.941 4.640 -0.004 0.000 0.230 545 D C -1.056 175.323 176.300 0.131 0.000 1.118 545 D CA -0.130 54.006 54.000 0.227 0.000 0.844 545 D CB 0.995 42.005 40.800 0.350 0.000 1.059 545 D HN 0.250 nan 8.370 nan 0.000 0.493 546 V N 5.552 125.465 119.914 -0.001 0.000 2.495 546 V HA 0.267 4.385 4.120 -0.004 0.000 0.298 546 V C -0.158 176.024 176.094 0.146 0.000 1.031 546 V CA -0.683 61.682 62.300 0.108 0.000 0.871 546 V CB 1.330 33.205 31.823 0.086 0.000 0.988 546 V HN 0.597 nan 8.190 nan 0.000 0.432 547 Y N 3.835 124.203 120.300 0.114 0.000 2.891 547 Y HA 0.540 5.088 4.550 -0.004 0.000 0.228 547 Y C 1.673 177.717 175.900 0.241 0.000 1.000 547 Y CA 1.173 59.370 58.100 0.161 0.000 1.491 547 Y CB 0.112 38.651 38.460 0.131 0.000 1.394 547 Y HN 0.714 nan 8.280 nan 0.000 0.477 548 A N 0.506 123.462 122.820 0.227 0.000 2.952 548 A HA -0.142 4.176 4.320 -0.004 0.000 0.252 548 A C 1.000 178.475 177.584 -0.181 0.000 1.323 548 A CA 0.817 52.929 52.037 0.124 0.000 0.957 548 A CB -2.521 16.601 19.000 0.204 0.000 1.130 548 A HN 0.956 nan 8.150 nan 0.000 0.799 549 G N -0.417 108.029 108.800 -0.590 0.000 2.684 549 G HA2 0.466 4.424 3.960 -0.004 0.000 0.255 549 G HA3 0.466 4.424 3.960 -0.004 0.000 0.255 549 G C -1.907 172.699 174.900 -0.491 0.000 1.219 549 G CA -0.430 43.927 45.100 -1.239 0.000 0.901 549 G HN 0.412 nan 8.290 nan 0.000 0.548 550 P HA 0.071 nan 4.420 nan 0.000 0.267 550 P C 0.612 177.778 177.300 -0.223 0.000 1.205 550 P CA 0.053 62.887 63.100 -0.443 0.000 0.765 550 P CB 0.879 31.928 31.700 -1.085 0.000 0.828 551 C N 2.105 121.343 119.300 -0.102 0.000 4.417 551 C HA -0.152 4.306 4.460 -0.004 0.000 0.284 551 C C 1.076 176.108 174.990 0.070 0.000 1.379 551 C CA 1.224 60.154 59.018 -0.146 0.000 1.918 551 C CB -2.682 24.816 27.740 -0.404 0.000 1.280 551 C HN 0.820 nan 8.230 nan 0.000 0.783 552 S N 0.059 115.862 115.700 0.171 0.000 2.603 552 S HA 0.534 5.002 4.470 -0.004 0.000 0.268 552 S C -0.596 174.180 174.600 0.294 0.000 1.317 552 S CA 0.138 58.524 58.200 0.310 0.000 1.012 552 S CB 1.600 65.047 63.200 0.411 0.000 0.926 552 S HN 0.808 nan 8.310 nan 0.000 0.539 553 Q N 0.186 120.184 119.800 0.330 0.000 2.295 553 Q HA 0.356 4.694 4.340 -0.004 0.000 0.259 553 Q C -0.667 175.467 176.000 0.223 0.000 0.966 553 Q CA -0.628 55.357 55.803 0.304 0.000 0.763 553 Q CB 1.018 29.998 28.738 0.404 0.000 1.283 553 Q HN 0.698 nan 8.270 nan 0.000 0.445 554 K N 1.100 121.629 120.400 0.215 0.000 2.355 554 K HA 0.331 4.649 4.320 -0.004 0.000 0.198 554 K C -0.404 176.305 176.600 0.181 0.000 1.039 554 K CA 0.243 56.644 56.287 0.190 0.000 1.075 554 K CB 1.518 34.157 32.500 0.231 0.000 0.870 554 K HN 0.503 nan 8.250 nan 0.000 0.540 555 A N 2.787 125.724 122.820 0.194 0.000 2.273 555 A HA 0.444 4.762 4.320 -0.004 0.000 0.320 555 A C -0.759 176.899 177.584 0.123 0.000 1.358 555 A CA -0.498 51.654 52.037 0.191 0.000 0.910 555 A CB 0.205 19.379 19.000 0.290 0.000 1.159 555 A HN 0.241 nan 8.150 nan 0.000 0.526 556 D N -0.015 120.431 120.400 0.077 0.000 2.759 556 D HA 0.410 5.048 4.640 -0.004 0.000 0.321 556 D C 0.278 176.589 176.300 0.019 0.000 1.267 556 D CA 0.293 54.324 54.000 0.051 0.000 0.933 556 D CB 0.332 41.165 40.800 0.056 0.000 1.431 556 D HN 0.202 nan 8.370 nan 0.000 0.504 557 T N -2.194 112.384 114.554 0.039 0.000 3.223 557 T HA 0.367 4.715 4.350 -0.004 0.000 0.259 557 T C 0.216 174.876 174.700 -0.067 0.000 1.015 557 T CA -0.394 61.722 62.100 0.027 0.000 0.908 557 T CB -0.742 68.187 68.868 0.100 0.000 1.054 557 T HN 0.266 nan 8.240 nan 0.000 0.567 558 V N 2.456 122.240 119.914 -0.217 0.000 2.583 558 V HA 0.372 4.490 4.120 -0.004 0.000 0.287 558 V C 0.048 176.082 176.094 -0.099 0.000 1.051 558 V CA -1.108 61.023 62.300 -0.283 0.000 1.010 558 V CB 0.359 31.889 31.823 -0.488 0.000 0.988 558 V HN 0.579 nan 8.190 nan 0.000 0.478 559 F N 6.353 126.204 119.950 -0.166 0.000 2.472 559 F HA 0.486 5.010 4.527 -0.004 0.000 0.364 559 F C 0.586 176.324 175.800 -0.103 0.000 1.090 559 F CA -0.014 57.914 58.000 -0.121 0.000 1.188 559 F CB 0.172 39.110 39.000 -0.104 0.000 1.105 559 F HN 0.433 nan 8.300 nan 0.000 0.536 560 R N 6.441 126.512 120.500 -0.714 0.000 2.686 560 R HA 0.572 4.909 4.340 -0.004 0.000 0.286 560 R C -1.563 174.326 176.300 -0.686 0.000 0.969 560 R CA -1.079 54.723 56.100 -0.496 0.000 0.898 560 R CB 2.097 32.246 30.300 -0.252 0.000 1.183 560 R HN 0.650 nan 8.270 nan 0.000 0.456 561 L N 4.085 125.095 121.223 -0.355 0.000 2.324 561 L HA 0.428 4.766 4.340 -0.004 0.000 0.274 561 L C -0.623 176.217 176.870 -0.051 0.000 1.012 561 L CA -0.637 54.040 54.840 -0.272 0.000 0.859 561 L CB 0.658 42.697 42.059 -0.033 0.000 1.224 561 L HN 0.781 nan 8.230 nan 0.000 0.429 562 N N 0.506 119.090 118.700 -0.193 0.000 3.439 562 N HA 0.139 4.877 4.740 -0.004 0.000 0.313 562 N C 0.135 175.259 175.510 -0.643 0.000 1.598 562 N CA -0.883 51.934 53.050 -0.388 0.000 0.830 562 N CB 0.193 38.595 38.487 -0.142 0.000 1.849 562 N HN 0.310 nan 8.380 nan 0.000 0.598 563 W N 0.780 121.458 121.300 -1.036 0.000 2.338 563 W HA 0.131 4.789 4.660 -0.004 0.000 0.304 563 W C 2.121 178.574 176.519 -0.109 0.000 1.212 563 W CA 3.050 60.053 57.345 -0.571 0.000 1.264 563 W CB -1.055 28.218 29.460 -0.311 0.000 1.142 563 W HN 0.719 nan 8.180 nan 0.000 0.512 564 A N -0.374 122.407 122.820 -0.065 0.000 1.948 564 A HA -0.255 4.063 4.320 -0.004 0.000 0.220 564 A C 1.949 179.419 177.584 -0.190 0.000 1.177 564 A CA 2.755 54.696 52.037 -0.161 0.000 0.636 564 A CB -1.349 17.634 19.000 -0.028 0.000 0.815 564 A HN 0.329 nan 8.150 nan 0.000 0.449 565 T N -1.187 113.264 114.554 -0.172 0.000 2.684 565 T HA -0.233 4.115 4.350 -0.004 0.000 0.267 565 T C 1.815 176.523 174.700 0.013 0.000 1.036 565 T CA 1.787 63.763 62.100 -0.208 0.000 1.148 565 T CB -0.550 68.010 68.868 -0.512 0.000 0.863 565 T HN 0.683 nan 8.240 nan 0.000 0.436 566 Y N 2.158 122.533 120.300 0.126 0.000 2.145 566 Y HA -0.078 4.469 4.550 -0.004 0.000 0.286 566 Y C 1.994 177.882 175.900 -0.021 0.000 1.145 566 Y CA 0.990 59.197 58.100 0.179 0.000 1.148 566 Y CB -0.811 37.756 38.460 0.178 0.000 0.981 566 Y HN 0.128 nan 8.280 nan 0.000 0.507 567 L N 0.205 121.015 121.223 -0.688 0.000 2.042 567 L HA -0.225 4.113 4.340 -0.004 0.000 0.210 567 L C 2.860 179.480 176.870 -0.418 0.000 1.076 567 L CA 1.368 55.731 54.840 -0.795 0.000 0.749 567 L CB -1.056 40.566 42.059 -0.728 0.000 0.893 567 L HN 0.412 nan 8.230 nan 0.000 0.432 568 A N -1.127 121.528 122.820 -0.275 0.000 1.873 568 A HA -0.205 4.113 4.320 -0.004 0.000 0.215 568 A C 2.533 180.048 177.584 -0.116 0.000 1.186 568 A CA 1.960 53.891 52.037 -0.176 0.000 0.616 568 A CB -0.687 18.204 19.000 -0.181 0.000 0.823 568 A HN 0.354 nan 8.150 nan 0.000 0.442 569 S N -1.365 114.286 115.700 -0.082 0.000 2.355 569 S HA -0.110 4.357 4.470 -0.004 0.000 0.222 569 S C 2.030 176.650 174.600 0.034 0.000 1.031 569 S CA 2.221 60.423 58.200 0.004 0.000 0.993 569 S CB -0.416 62.843 63.200 0.098 0.000 0.859 569 S HN 0.580 nan 8.310 nan 0.000 0.453 570 T N 1.297 115.857 114.554 0.011 0.000 2.953 570 T HA 0.166 4.513 4.350 -0.004 0.000 0.247 570 T C 1.375 176.059 174.700 -0.027 0.000 1.029 570 T CA 0.628 62.757 62.100 0.048 0.000 1.144 570 T CB -0.111 68.883 68.868 0.211 0.000 0.870 570 T HN 0.318 nan 8.240 nan 0.000 0.446 571 E N 1.211 121.304 120.200 -0.178 0.000 2.474 571 E HA 0.163 4.511 4.350 -0.004 0.000 0.195 571 E C -0.062 176.522 176.600 -0.027 0.000 1.039 571 E CA -0.068 56.261 56.400 -0.117 0.000 0.881 571 E CB -0.311 29.250 29.700 -0.231 0.000 0.970 571 E HN 0.539 nan 8.360 nan 0.000 0.486 572 N N 0.679 119.374 118.700 -0.008 0.000 2.740 572 N HA -0.192 4.546 4.740 -0.004 0.000 0.248 572 N C -0.832 174.758 175.510 0.133 0.000 1.062 572 N CA 0.274 53.385 53.050 0.101 0.000 0.704 572 N CB -1.300 37.292 38.487 0.176 0.000 0.968 572 N HN 0.213 nan 8.380 nan 0.000 0.547 573 I N 0.908 121.486 120.570 0.013 0.000 2.377 573 I HA 0.332 4.499 4.170 -0.004 0.000 0.293 573 I C 0.635 176.724 176.117 -0.047 0.000 0.987 573 I CA -0.864 60.446 61.300 0.017 0.000 1.185 573 I CB 1.236 39.251 38.000 0.025 0.000 1.341 573 I HN 0.046 nan 8.210 nan 0.000 0.455 574 I N 6.621 127.170 120.570 -0.034 0.000 2.452 574 I HA 0.098 4.265 4.170 -0.004 0.000 0.287 574 I C -0.305 175.789 176.117 -0.039 0.000 1.079 574 I CA -0.238 60.997 61.300 -0.109 0.000 1.387 574 I CB 0.696 38.631 38.000 -0.107 0.000 1.404 574 I HN 0.206 nan 8.210 nan 0.000 0.522 575 V N 6.932 126.808 119.914 -0.064 0.000 2.328 575 V HA 0.576 4.693 4.120 -0.004 0.000 0.278 575 V C 0.414 176.529 176.094 0.035 0.000 1.021 575 V CA -0.456 61.858 62.300 0.024 0.000 0.838 575 V CB 1.061 32.891 31.823 0.012 0.000 0.999 575 V HN 0.838 nan 8.190 nan 0.000 0.447 576 A N 4.117 126.995 122.820 0.096 0.000 2.340 576 A HA 0.936 5.254 4.320 -0.004 0.000 0.331 576 A C -0.087 177.658 177.584 0.269 0.000 1.140 576 A CA -0.458 51.631 52.037 0.086 0.000 0.801 576 A CB 1.526 20.434 19.000 -0.153 0.000 1.234 576 A HN 0.696 nan 8.150 nan 0.000 0.469 577 S N -0.148 115.753 115.700 0.335 0.000 2.569 577 S HA 0.774 5.242 4.470 -0.004 0.000 0.280 577 S C -1.445 173.518 174.600 0.605 0.000 1.111 577 S CA -0.325 58.127 58.200 0.420 0.000 0.887 577 S CB 1.394 64.776 63.200 0.303 0.000 1.095 577 S HN 0.765 nan 8.310 nan 0.000 0.476 578 F N 1.598 121.790 119.950 0.405 0.000 2.569 578 F HA 0.477 5.002 4.527 -0.004 0.000 0.312 578 F C -1.630 174.377 175.800 0.344 0.000 1.109 578 F CA -0.690 57.567 58.000 0.428 0.000 0.919 578 F CB 1.561 40.775 39.000 0.357 0.000 1.211 578 F HN 0.399 nan 8.300 nan 0.000 0.446 579 D N 4.524 124.737 120.400 -0.311 0.000 2.473 579 D HA 0.378 5.015 4.640 -0.004 0.000 0.226 579 D C 0.333 176.399 176.300 -0.390 0.000 1.089 579 D CA 0.096 54.004 54.000 -0.154 0.000 0.883 579 D CB 1.472 42.325 40.800 0.089 0.000 1.029 579 D HN 0.759 nan 8.370 nan 0.000 0.517 580 G N 1.190 109.868 108.800 -0.203 0.000 2.695 580 G HA2 0.297 4.254 3.960 -0.004 0.000 0.213 580 G HA3 0.297 4.254 3.960 -0.004 0.000 0.213 580 G C 0.139 175.090 174.900 0.084 0.000 1.406 580 G CA -0.726 44.294 45.100 -0.135 0.000 1.049 580 G HN 0.281 nan 8.290 nan 0.000 0.573 581 R N -0.681 119.836 120.500 0.028 0.000 2.640 581 R HA 0.351 4.688 4.340 -0.004 0.000 0.270 581 R C 1.283 177.684 176.300 0.169 0.000 1.024 581 R CA 1.431 57.625 56.100 0.156 0.000 1.085 581 R CB 0.371 30.725 30.300 0.090 0.000 0.963 581 R HN 1.077 nan 8.270 nan 0.000 0.426 582 G N 1.096 109.991 108.800 0.160 0.000 2.217 582 G HA2 -0.338 3.620 3.960 -0.004 0.000 0.246 582 G HA3 -0.338 3.620 3.960 -0.004 0.000 0.246 582 G C 0.175 175.121 174.900 0.076 0.000 0.990 582 G CA 0.264 45.440 45.100 0.127 0.000 0.627 582 G HN 0.740 nan 8.290 nan 0.000 0.522 583 S N 0.301 116.058 115.700 0.094 0.000 2.614 583 S HA 0.672 5.139 4.470 -0.004 0.000 0.265 583 S C 0.876 175.476 174.600 0.000 0.000 1.303 583 S CA 0.467 58.714 58.200 0.079 0.000 1.000 583 S CB 1.761 65.041 63.200 0.133 0.000 0.935 583 S HN 1.657 nan 8.310 nan 0.000 0.551 584 G N -0.643 108.115 108.800 -0.069 0.000 2.511 584 G HA2 0.484 4.442 3.960 -0.004 0.000 0.316 584 G HA3 0.484 4.442 3.960 -0.004 0.000 0.316 584 G C -0.909 173.840 174.900 -0.253 0.000 1.210 584 G CA -0.942 43.926 45.100 -0.387 0.000 0.969 584 G HN 1.007 nan 8.290 nan 0.000 0.492 585 Y N -2.484 117.829 120.300 0.022 0.000 4.668 585 Y HA -0.213 4.334 4.550 -0.004 0.000 0.234 585 Y C 1.348 177.261 175.900 0.023 0.000 1.056 585 Y CA 1.035 59.151 58.100 0.026 0.000 2.025 585 Y CB -2.194 36.296 38.460 0.050 0.000 1.613 585 Y HN 0.560 nan 8.280 nan 0.000 0.653 586 Q N -0.120 119.701 119.800 0.034 0.000 2.086 586 Q HA 0.505 4.843 4.340 -0.004 0.000 0.220 586 Q C 0.904 176.803 176.000 -0.169 0.000 0.792 586 Q CA 0.198 56.029 55.803 0.048 0.000 1.062 586 Q CB 1.696 30.459 28.738 0.042 0.000 1.198 586 Q HN 0.597 nan 8.270 nan 0.000 0.466 587 G N 0.775 109.332 108.800 -0.405 0.000 2.663 587 G HA2 -0.179 3.779 3.960 -0.004 0.000 0.686 587 G HA3 -0.179 3.779 3.960 -0.004 0.000 0.686 587 G C -0.514 174.019 174.900 -0.612 0.000 1.246 587 G CA -0.550 44.021 45.100 -0.881 0.000 0.795 587 G HN 0.102 nan 8.290 nan 0.000 0.627 588 D N -0.127 119.869 120.400 -0.674 0.000 2.224 588 D HA -0.031 4.607 4.640 -0.004 0.000 0.205 588 D C 2.235 178.252 176.300 -0.472 0.000 0.965 588 D CA 1.231 54.795 54.000 -0.726 0.000 0.852 588 D CB 0.033 40.363 40.800 -0.784 0.000 0.947 588 D HN 0.581 nan 8.370 nan 0.000 0.494 589 K N 0.467 120.651 120.400 -0.360 0.000 2.063 589 K HA -0.123 4.195 4.320 -0.004 0.000 0.208 589 K C 2.025 178.551 176.600 -0.124 0.000 1.048 589 K CA 0.962 57.131 56.287 -0.197 0.000 0.928 589 K CB -0.050 32.352 32.500 -0.164 0.000 0.713 589 K HN 0.096 nan 8.250 nan 0.000 0.442 590 I N 0.293 120.779 120.570 -0.141 0.000 2.277 590 I HA -0.222 3.946 4.170 -0.004 0.000 0.243 590 I C 2.626 178.736 176.117 -0.011 0.000 1.094 590 I CA 0.917 62.205 61.300 -0.020 0.000 1.393 590 I CB -0.107 37.900 38.000 0.012 0.000 1.078 590 I HN 0.289 nan 8.210 nan 0.000 0.417 591 M N 0.082 119.603 119.600 -0.132 0.000 2.132 591 M HA -0.225 4.252 4.480 -0.004 0.000 0.263 591 M C 1.906 178.264 176.300 0.096 0.000 1.065 591 M CA 1.988 57.243 55.300 -0.074 0.000 1.122 591 M CB -0.302 32.152 32.600 -0.243 0.000 1.365 591 M HN 0.266 nan 8.290 nan 0.000 0.411 592 H N -0.665 118.318 119.070 -0.145 0.000 2.547 592 H HA 0.169 4.722 4.556 -0.004 0.000 0.266 592 H C 1.813 177.171 175.328 0.051 0.000 0.988 592 H CA 0.084 56.062 56.048 -0.117 0.000 1.147 592 H CB 0.133 29.728 29.762 -0.278 0.000 1.365 592 H HN 0.526 nan 8.280 nan 0.000 0.589 593 A N 1.489 124.418 122.820 0.182 0.000 2.019 593 A HA -0.122 4.196 4.320 -0.004 0.000 0.219 593 A C 2.058 179.843 177.584 0.336 0.000 1.164 593 A CA 1.037 53.189 52.037 0.191 0.000 0.644 593 A CB -0.620 18.443 19.000 0.104 0.000 0.805 593 A HN 0.582 nan 8.150 nan 0.000 0.449 594 I N -3.256 117.496 120.570 0.303 0.000 3.861 594 I HA 0.152 4.320 4.170 -0.004 0.000 0.329 594 I C 0.409 176.630 176.117 0.174 0.000 1.321 594 I CA -0.472 60.973 61.300 0.241 0.000 1.126 594 I CB -0.581 37.523 38.000 0.174 0.000 1.018 594 I HN 0.188 nan 8.210 nan 0.000 0.407 595 N N 3.161 122.009 118.700 0.246 0.000 2.294 595 N HA -0.107 4.631 4.740 -0.004 0.000 0.263 595 N C 0.186 175.735 175.510 0.065 0.000 1.281 595 N CA 0.400 53.581 53.050 0.218 0.000 0.846 595 N CB 0.302 38.879 38.487 0.150 0.000 1.061 595 N HN 0.421 nan 8.380 nan 0.000 0.478 596 R N 0.845 121.357 120.500 0.020 0.000 4.000 596 R HA -0.162 4.175 4.340 -0.004 0.000 0.362 596 R C -0.330 175.859 176.300 -0.184 0.000 1.183 596 R CA 0.828 56.894 56.100 -0.057 0.000 1.011 596 R CB -0.766 29.517 30.300 -0.028 0.000 1.501 596 R HN 0.654 nan 8.270 nan 0.000 0.553 597 R N 0.430 120.811 120.500 -0.198 0.000 2.648 597 R HA 0.239 4.577 4.340 -0.004 0.000 0.341 597 R C -0.311 175.956 176.300 -0.054 0.000 1.154 597 R CA -0.283 55.570 56.100 -0.411 0.000 1.228 597 R CB 0.388 30.417 30.300 -0.452 0.000 1.311 597 R HN 0.091 nan 8.270 nan 0.000 0.659 598 L N -0.050 121.197 121.223 0.039 0.000 2.483 598 L HA 0.127 4.464 4.340 -0.004 0.000 0.276 598 L C 1.396 178.503 176.870 0.395 0.000 1.213 598 L CA 1.040 55.951 54.840 0.118 0.000 0.843 598 L CB 0.307 42.209 42.059 -0.263 0.000 1.107 598 L HN 0.679 nan 8.230 nan 0.000 0.487 599 G N 0.880 109.957 108.800 0.461 0.000 2.147 599 G HA2 -0.286 3.672 3.960 -0.004 0.000 0.244 599 G HA3 -0.286 3.672 3.960 -0.004 0.000 0.244 599 G C 0.433 175.427 174.900 0.157 0.000 1.005 599 G CA 0.578 45.896 45.100 0.364 0.000 0.713 599 G HN 0.878 nan 8.290 nan 0.000 0.515 600 T N -3.716 110.888 114.554 0.083 0.000 2.995 600 T HA 0.484 4.831 4.350 -0.004 0.000 0.170 600 T C 1.623 176.295 174.700 -0.047 0.000 0.844 600 T CA 0.888 62.925 62.100 -0.104 0.000 1.137 600 T CB 0.000 68.625 68.868 -0.406 0.000 2.193 600 T HN 0.133 nan 8.240 nan 0.000 0.384 601 F N 3.376 123.369 119.950 0.071 0.000 2.171 601 F HA 0.091 4.615 4.527 -0.004 0.000 0.300 601 F C 2.827 178.663 175.800 0.060 0.000 1.090 601 F CA 1.242 59.273 58.000 0.050 0.000 1.293 601 F CB -0.621 38.407 39.000 0.045 0.000 1.013 601 F HN 0.529 nan 8.300 nan 0.000 0.486 602 E N 0.772 121.134 120.200 0.270 0.000 2.150 602 E HA -0.122 4.226 4.350 -0.004 0.000 0.193 602 E C 2.088 178.797 176.600 0.182 0.000 0.985 602 E CA 1.431 57.964 56.400 0.221 0.000 0.814 602 E CB -1.001 28.833 29.700 0.223 0.000 0.752 602 E HN 0.293 nan 8.360 nan 0.000 0.466 603 V N 1.741 121.737 119.914 0.137 0.000 2.283 603 V HA -0.217 3.901 4.120 -0.004 0.000 0.243 603 V C 2.365 178.494 176.094 0.058 0.000 1.039 603 V CA 2.158 64.493 62.300 0.059 0.000 1.016 603 V CB -0.666 31.147 31.823 -0.017 0.000 0.650 603 V HN 0.207 nan 8.190 nan 0.000 0.449 604 E N 0.256 120.502 120.200 0.077 0.000 2.097 604 E HA -0.262 4.085 4.350 -0.004 0.000 0.196 604 E C 1.906 178.528 176.600 0.036 0.000 1.000 604 E CA 1.627 58.067 56.400 0.067 0.000 0.804 604 E CB -0.229 29.541 29.700 0.116 0.000 0.740 604 E HN 0.574 nan 8.360 nan 0.000 0.454 605 D N 0.164 120.602 120.400 0.063 0.000 2.219 605 D HA -0.122 4.515 4.640 -0.004 0.000 0.205 605 D C 1.965 178.223 176.300 -0.070 0.000 0.970 605 D CA 0.703 54.706 54.000 0.006 0.000 0.851 605 D CB -0.073 40.793 40.800 0.109 0.000 0.943 605 D HN 0.106 nan 8.370 nan 0.000 0.488 606 Q N 0.156 119.989 119.800 0.055 0.000 2.079 606 Q HA -0.036 4.301 4.340 -0.004 0.000 0.200 606 Q C 2.563 178.587 176.000 0.039 0.000 0.974 606 Q CA 0.549 56.391 55.803 0.064 0.000 0.840 606 Q CB -0.180 28.631 28.738 0.122 0.000 0.898 606 Q HN 0.421 nan 8.270 nan 0.000 0.430 607 I N 0.754 121.369 120.570 0.075 0.000 2.142 607 I HA -0.273 3.895 4.170 -0.004 0.000 0.240 607 I C 2.417 178.479 176.117 -0.091 0.000 1.078 607 I CA 1.318 62.695 61.300 0.129 0.000 1.343 607 I CB -0.289 37.778 38.000 0.113 0.000 1.046 607 I HN 0.146 nan 8.210 nan 0.000 0.405 608 E N 1.475 121.571 120.200 -0.174 0.000 2.118 608 E HA -0.216 4.131 4.350 -0.004 0.000 0.195 608 E C 2.095 178.386 176.600 -0.515 0.000 0.992 608 E CA 1.693 57.923 56.400 -0.284 0.000 0.804 608 E CB -0.241 29.315 29.700 -0.240 0.000 0.741 608 E HN 0.422 nan 8.360 nan 0.000 0.458 609 A N 0.874 123.231 122.820 -0.772 0.000 1.892 609 A HA -0.153 4.164 4.320 -0.004 0.000 0.218 609 A C 2.488 179.345 177.584 -1.212 0.000 1.188 609 A CA 2.552 53.817 52.037 -1.287 0.000 0.631 609 A CB -1.207 16.930 19.000 -1.438 0.000 0.822 609 A HN 0.405 nan 8.150 nan 0.000 0.447 610 A N -0.393 122.094 122.820 -0.554 0.000 1.902 610 A HA -0.178 4.140 4.320 -0.004 0.000 0.217 610 A C 2.234 179.620 177.584 -0.330 0.000 1.181 610 A CA 1.532 53.393 52.037 -0.294 0.000 0.623 610 A CB -0.497 18.382 19.000 -0.201 0.000 0.818 610 A HN 0.575 nan 8.150 nan 0.000 0.443 611 R N -0.674 119.621 120.500 -0.343 0.000 2.091 611 R HA -0.149 4.189 4.340 -0.004 0.000 0.238 611 R C 2.373 178.509 176.300 -0.274 0.000 1.136 611 R CA 1.519 57.456 56.100 -0.271 0.000 0.959 611 R CB -0.356 29.809 30.300 -0.225 0.000 0.856 611 R HN 0.595 nan 8.270 nan 0.000 0.437 612 Q N -0.184 119.380 119.800 -0.394 0.000 2.119 612 Q HA -0.113 4.224 4.340 -0.004 0.000 0.201 612 Q C 2.064 177.917 176.000 -0.245 0.000 0.972 612 Q CA 1.254 56.846 55.803 -0.352 0.000 0.847 612 Q CB -0.153 28.306 28.738 -0.466 0.000 0.903 612 Q HN 0.292 nan 8.270 nan 0.000 0.433 613 F N 1.235 121.029 119.950 -0.261 0.000 2.171 613 F HA -0.111 4.414 4.527 -0.004 0.000 0.300 613 F C 2.586 178.208 175.800 -0.296 0.000 1.090 613 F CA 0.694 58.533 58.000 -0.268 0.000 1.293 613 F CB -1.074 37.819 39.000 -0.178 0.000 1.013 613 F HN -0.051 nan 8.300 nan 0.000 0.486 614 S N 0.249 115.907 115.700 -0.070 0.000 2.359 614 S HA -0.223 4.245 4.470 -0.004 0.000 0.224 614 S C 1.923 176.421 174.600 -0.169 0.000 1.035 614 S CA 1.367 59.488 58.200 -0.131 0.000 1.018 614 S CB -0.416 62.706 63.200 -0.130 0.000 0.876 614 S HN 0.376 nan 8.310 nan 0.000 0.448 615 K N 0.762 121.069 120.400 -0.155 0.000 2.286 615 K HA -0.038 4.280 4.320 -0.004 0.000 0.203 615 K C 1.932 178.431 176.600 -0.169 0.000 1.045 615 K CA 1.139 57.342 56.287 -0.140 0.000 0.935 615 K CB -0.318 32.112 32.500 -0.118 0.000 0.737 615 K HN 0.419 nan 8.250 nan 0.000 0.460 616 M N -0.909 118.534 119.600 -0.261 0.000 2.394 616 M HA -0.044 4.433 4.480 -0.004 0.000 0.264 616 M C 1.356 177.365 176.300 -0.485 0.000 1.073 616 M CA 1.328 56.398 55.300 -0.382 0.000 1.111 616 M CB 0.159 32.425 32.600 -0.557 0.000 1.401 616 M HN 0.506 nan 8.290 nan 0.000 0.448 617 G N 0.497 109.035 108.800 -0.436 0.000 2.194 617 G HA2 -0.265 3.692 3.960 -0.004 0.000 0.236 617 G HA3 -0.265 3.692 3.960 -0.004 0.000 0.236 617 G C 0.358 175.203 174.900 -0.092 0.000 0.987 617 G CA 0.186 45.163 45.100 -0.205 0.000 0.635 617 G HN 0.570 nan 8.290 nan 0.000 0.520 618 F N 0.079 120.097 119.950 0.113 0.000 2.735 618 F HA 0.768 5.293 4.527 -0.004 0.000 0.304 618 F C 0.008 175.943 175.800 0.225 0.000 1.119 618 F CA -1.562 56.547 58.000 0.181 0.000 1.280 618 F CB 0.120 39.298 39.000 0.296 0.000 0.994 618 F HN 0.067 nan 8.300 nan 0.000 0.520 619 V N 1.358 121.332 119.914 0.101 0.000 2.448 619 V HA 0.231 4.349 4.120 -0.004 0.000 0.295 619 V C -0.690 175.412 176.094 0.014 0.000 1.025 619 V CA -0.764 61.599 62.300 0.104 0.000 0.859 619 V CB 1.640 33.473 31.823 0.017 0.000 0.988 619 V HN 0.096 nan 8.190 nan 0.000 0.431 620 D N 3.548 123.947 120.400 -0.002 0.000 2.342 620 D HA 0.030 4.667 4.640 -0.004 0.000 0.260 620 D C 1.251 177.509 176.300 -0.069 0.000 1.278 620 D CA -0.073 53.892 54.000 -0.058 0.000 0.910 620 D CB 0.611 41.351 40.800 -0.099 0.000 1.079 620 D HN 0.704 nan 8.370 nan 0.000 0.496 621 N N 3.251 121.912 118.700 -0.065 0.000 2.443 621 N HA -0.179 4.558 4.740 -0.004 0.000 0.184 621 N C 0.904 176.377 175.510 -0.062 0.000 1.037 621 N CA 0.988 53.993 53.050 -0.075 0.000 0.896 621 N CB -0.005 38.434 38.487 -0.079 0.000 0.959 621 N HN 0.313 nan 8.380 nan 0.000 0.442 622 K N -0.330 120.041 120.400 -0.047 0.000 2.400 622 K HA 0.142 4.459 4.320 -0.004 0.000 0.194 622 K C 0.181 176.788 176.600 0.010 0.000 1.033 622 K CA 0.278 56.553 56.287 -0.019 0.000 1.021 622 K CB 0.328 32.817 32.500 -0.018 0.000 0.808 622 K HN 0.235 nan 8.250 nan 0.000 0.505 623 R N 1.290 121.769 120.500 -0.036 0.000 2.738 623 R HA 0.347 4.685 4.340 -0.004 0.000 0.280 623 R C -0.876 175.392 176.300 -0.054 0.000 1.456 623 R CA -0.128 55.939 56.100 -0.055 0.000 1.612 623 R CB 0.564 30.658 30.300 -0.343 0.000 1.286 623 R HN -0.006 nan 8.270 nan 0.000 0.660 624 I N 1.131 121.792 120.570 0.152 0.000 2.362 624 I HA 0.515 4.683 4.170 -0.004 0.000 0.289 624 I C 0.181 176.605 176.117 0.512 0.000 0.994 624 I CA -0.722 60.718 61.300 0.233 0.000 1.158 624 I CB 1.776 39.765 38.000 -0.018 0.000 1.315 624 I HN 0.258 nan 8.210 nan 0.000 0.451 625 A N 7.193 130.419 122.820 0.675 0.000 2.344 625 A HA 0.931 5.249 4.320 -0.004 0.000 0.307 625 A C -0.957 176.978 177.584 0.584 0.000 1.151 625 A CA -0.669 51.726 52.037 0.597 0.000 0.842 625 A CB 2.014 21.243 19.000 0.381 0.000 1.350 625 A HN 0.747 nan 8.150 nan 0.000 0.459 626 I N 0.265 121.072 120.570 0.396 0.000 2.692 626 I HA 0.669 4.836 4.170 -0.004 0.000 0.293 626 I C -1.933 174.417 176.117 0.389 0.000 1.200 626 I CA -0.530 60.924 61.300 0.257 0.000 1.036 626 I CB 1.608 39.441 38.000 -0.277 0.000 1.258 626 I HN 0.936 nan 8.210 nan 0.000 0.421 627 W N 7.153 128.570 121.300 0.194 0.000 3.137 627 W HA 0.855 5.513 4.660 -0.004 0.000 0.324 627 W C -1.479 175.189 176.519 0.248 0.000 1.253 627 W CA -0.906 56.574 57.345 0.225 0.000 1.183 627 W CB 1.146 30.800 29.460 0.323 0.000 1.424 627 W HN 0.848 nan 8.180 nan 0.000 0.566 628 G N 0.842 109.556 108.800 -0.143 0.000 2.547 628 G HA2 0.459 4.417 3.960 -0.004 0.000 0.291 628 G HA3 0.459 4.417 3.960 -0.004 0.000 0.291 628 G C -2.846 171.998 174.900 -0.093 0.000 1.471 628 G CA -0.730 44.136 45.100 -0.390 0.000 0.798 628 G HN 0.619 nan 8.290 nan 0.000 0.504 629 W N 0.941 122.115 121.300 -0.210 0.000 2.736 629 W HA 0.627 5.285 4.660 -0.004 0.000 0.335 629 W C 0.736 177.299 176.519 0.073 0.000 1.059 629 W CA 0.374 57.688 57.345 -0.051 0.000 1.226 629 W CB 1.897 31.327 29.460 -0.049 0.000 1.416 629 W HN 1.385 nan 8.180 nan 0.000 0.505 630 S N 2.652 118.603 115.700 0.420 0.000 4.118 630 S HA -0.421 4.047 4.470 -0.004 0.000 0.624 630 S C 1.082 175.812 174.600 0.217 0.000 1.929 630 S CA 1.591 60.063 58.200 0.453 0.000 4.219 630 S CB -1.854 61.767 63.200 0.702 0.000 0.206 630 S HN 0.743 nan 8.310 nan 0.000 0.525 631 Y N 2.336 122.652 120.300 0.027 0.000 2.193 631 Y HA -0.001 4.547 4.550 -0.004 0.000 0.285 631 Y C 2.400 178.206 175.900 -0.156 0.000 1.166 631 Y CA 2.758 60.746 58.100 -0.187 0.000 1.181 631 Y CB -1.036 37.092 38.460 -0.552 0.000 0.976 631 Y HN 0.565 nan 8.280 nan 0.000 0.520 632 G N -1.124 107.691 108.800 0.025 0.000 2.432 632 G HA2 -0.209 3.748 3.960 -0.004 0.000 0.219 632 G HA3 -0.209 3.748 3.960 -0.004 0.000 0.219 632 G C 1.900 176.832 174.900 0.053 0.000 1.135 632 G CA 0.721 45.868 45.100 0.079 0.000 0.767 632 G HN 0.578 nan 8.290 nan 0.000 0.550 633 G N -0.129 108.713 108.800 0.069 0.000 2.402 633 G HA2 -0.219 3.739 3.960 -0.004 0.000 0.216 633 G HA3 -0.219 3.739 3.960 -0.004 0.000 0.216 633 G C 1.585 176.506 174.900 0.036 0.000 1.162 633 G CA 1.033 46.159 45.100 0.043 0.000 0.777 633 G HN 0.411 nan 8.290 nan 0.000 0.539 634 Y N 1.453 121.656 120.300 -0.162 0.000 2.097 634 Y HA -0.156 4.391 4.550 -0.004 0.000 0.282 634 Y C 2.766 178.571 175.900 -0.159 0.000 1.152 634 Y CA 1.767 59.718 58.100 -0.249 0.000 1.136 634 Y CB -0.473 37.683 38.460 -0.507 0.000 0.975 634 Y HN 0.032 nan 8.280 nan 0.000 0.498 635 V N -0.351 119.434 119.914 -0.215 0.000 2.343 635 V HA -0.313 3.805 4.120 -0.004 0.000 0.247 635 V C 2.321 178.300 176.094 -0.191 0.000 1.051 635 V CA 2.370 64.534 62.300 -0.227 0.000 1.036 635 V CB -1.244 30.598 31.823 0.030 0.000 0.654 635 V HN 0.485 nan 8.190 nan 0.000 0.451 636 T N 0.159 114.654 114.554 -0.097 0.000 2.665 636 T HA -0.232 4.116 4.350 -0.004 0.000 0.268 636 T C 2.127 176.771 174.700 -0.094 0.000 1.035 636 T CA 2.162 64.216 62.100 -0.077 0.000 1.151 636 T CB -0.316 68.582 68.868 0.050 0.000 0.862 636 T HN 0.535 nan 8.240 nan 0.000 0.438 637 S N 0.962 116.640 115.700 -0.038 0.000 2.368 637 S HA -0.014 4.454 4.470 -0.004 0.000 0.224 637 S C 2.160 176.683 174.600 -0.128 0.000 1.029 637 S CA 0.921 59.132 58.200 0.018 0.000 0.988 637 S CB -0.285 62.970 63.200 0.092 0.000 0.838 637 S HN 0.324 nan 8.310 nan 0.000 0.462 638 M N 1.028 120.459 119.600 -0.281 0.000 2.117 638 M HA -0.048 4.429 4.480 -0.004 0.000 0.262 638 M C 2.251 178.396 176.300 -0.260 0.000 1.065 638 M CA 1.150 56.265 55.300 -0.308 0.000 1.114 638 M CB -1.496 30.818 32.600 -0.476 0.000 1.361 638 M HN 0.178 nan 8.290 nan 0.000 0.408 639 V N 0.764 120.520 119.914 -0.264 0.000 2.295 639 V HA -0.254 3.864 4.120 -0.004 0.000 0.246 639 V C 2.542 178.451 176.094 -0.308 0.000 1.049 639 V CA 1.523 63.670 62.300 -0.256 0.000 1.024 639 V CB -0.696 30.914 31.823 -0.355 0.000 0.648 639 V HN 0.408 nan 8.190 nan 0.000 0.447 640 L N 0.398 121.369 121.223 -0.420 0.000 2.191 640 L HA -0.056 4.282 4.340 -0.004 0.000 0.212 640 L C 2.273 178.584 176.870 -0.932 0.000 1.103 640 L CA 1.473 55.962 54.840 -0.585 0.000 0.769 640 L CB -0.736 40.947 42.059 -0.626 0.000 0.908 640 L HN 0.483 nan 8.230 nan 0.000 0.438 641 G N -1.335 106.922 108.800 -0.906 0.000 3.042 641 G HA2 -0.073 3.884 3.960 -0.004 0.000 0.212 641 G HA3 -0.073 3.884 3.960 -0.004 0.000 0.212 641 G C 1.546 176.278 174.900 -0.280 0.000 1.166 641 G CA 0.594 45.289 45.100 -0.674 0.000 0.767 641 G HN 0.442 nan 8.290 nan 0.000 0.546 642 S N -0.677 114.885 115.700 -0.229 0.000 2.496 642 S HA 0.298 4.766 4.470 -0.004 0.000 0.224 642 S C 1.973 176.525 174.600 -0.079 0.000 0.996 642 S CA 1.064 59.193 58.200 -0.117 0.000 0.927 642 S CB -0.111 63.040 63.200 -0.082 0.000 0.774 642 S HN 1.358 nan 8.310 nan 0.000 0.524 643 G N 1.282 110.026 108.800 -0.093 0.000 2.143 643 G HA2 -0.350 3.608 3.960 -0.004 0.000 0.249 643 G HA3 -0.350 3.608 3.960 -0.004 0.000 0.249 643 G C 1.028 175.912 174.900 -0.028 0.000 0.981 643 G CA 0.977 46.044 45.100 -0.054 0.000 0.665 643 G HN 1.281 nan 8.290 nan 0.000 0.528 644 S N -0.253 115.440 115.700 -0.011 0.000 2.419 644 S HA 0.263 4.731 4.470 -0.004 0.000 0.233 644 S C 2.631 177.226 174.600 -0.008 0.000 1.016 644 S CA 1.862 60.065 58.200 0.006 0.000 0.974 644 S CB -0.395 62.835 63.200 0.050 0.000 0.786 644 S HN 2.451 nan 8.310 nan 0.000 0.492 645 G N -0.161 108.642 108.800 0.004 0.000 2.184 645 G HA2 -0.286 3.671 3.960 -0.004 0.000 0.264 645 G HA3 -0.286 3.671 3.960 -0.004 0.000 0.264 645 G C 0.770 175.644 174.900 -0.043 0.000 0.975 645 G CA 0.477 45.571 45.100 -0.009 0.000 0.642 645 G HN 0.719 nan 8.290 nan 0.000 0.536 646 V N -0.582 119.280 119.914 -0.086 0.000 2.591 646 V HA 0.268 4.386 4.120 -0.004 0.000 0.249 646 V C 1.137 176.979 176.094 -0.421 0.000 1.053 646 V CA 1.444 63.553 62.300 -0.318 0.000 1.068 646 V CB -0.297 31.218 31.823 -0.514 0.000 0.689 646 V HN 0.306 nan 8.190 nan 0.000 0.462 647 F N -0.005 119.960 119.950 0.023 0.000 2.436 647 F HA 0.388 4.913 4.527 -0.004 0.000 0.340 647 F C 1.095 176.940 175.800 0.075 0.000 1.113 647 F CA -0.550 57.492 58.000 0.069 0.000 1.022 647 F CB 1.406 40.448 39.000 0.071 0.000 1.128 647 F HN -0.236 nan 8.300 nan 0.000 0.466 648 K N 1.913 122.474 120.400 0.268 0.000 2.062 648 K HA 0.017 4.335 4.320 -0.004 0.000 0.205 648 K C 0.031 176.762 176.600 0.218 0.000 1.051 648 K CA 1.152 57.562 56.287 0.205 0.000 0.941 648 K CB 0.189 32.812 32.500 0.205 0.000 0.719 648 K HN 0.799 nan 8.250 nan 0.000 0.440 649 c N -2.813 115.954 118.600 0.278 0.000 3.318 649 c HA 0.899 5.466 4.570 -0.004 0.000 0.322 649 c C -0.244 174.064 174.090 0.363 0.000 1.398 649 c CA -0.554 55.955 56.329 0.299 0.000 1.339 649 c CB 1.150 43.762 42.510 0.170 0.000 1.668 649 c HN 0.375 nan 8.230 nan 0.000 0.462 650 G N 0.092 109.171 108.800 0.464 0.000 2.646 650 G HA2 0.712 4.670 3.960 -0.004 0.000 0.291 650 G HA3 0.712 4.670 3.960 -0.004 0.000 0.291 650 G C -1.984 173.149 174.900 0.388 0.000 1.445 650 G CA -0.714 44.632 45.100 0.410 0.000 0.814 650 G HN 1.017 nan 8.290 nan 0.000 0.495 651 I N 0.863 121.625 120.570 0.320 0.000 2.447 651 I HA 0.593 4.761 4.170 -0.004 0.000 0.287 651 I C 0.213 176.447 176.117 0.196 0.000 1.023 651 I CA -0.939 60.436 61.300 0.124 0.000 1.083 651 I CB 2.143 40.211 38.000 0.114 0.000 1.245 651 I HN 0.638 nan 8.210 nan 0.000 0.434 652 A N 6.619 129.450 122.820 0.019 0.000 2.271 652 A HA 0.775 5.093 4.320 -0.004 0.000 0.317 652 A C -0.629 176.871 177.584 -0.139 0.000 1.245 652 A CA -0.497 51.557 52.037 0.028 0.000 0.857 652 A CB 1.057 20.131 19.000 0.123 0.000 1.175 652 A HN 0.456 nan 8.150 nan 0.000 0.512 653 V N 2.147 121.934 119.914 -0.211 0.000 2.384 653 V HA 0.565 4.683 4.120 -0.004 0.000 0.287 653 V C 0.931 176.638 176.094 -0.645 0.000 1.020 653 V CA 0.302 62.257 62.300 -0.575 0.000 0.850 653 V CB 0.752 31.935 31.823 -1.067 0.000 0.987 653 V HN 2.078 nan 8.190 nan 0.000 0.436 654 A N 5.612 128.032 122.820 -0.666 0.000 2.511 654 A HA -0.104 4.214 4.320 -0.004 0.000 0.297 654 A C -1.737 175.697 177.584 -0.250 0.000 1.476 654 A CA 0.350 51.899 52.037 -0.813 0.000 0.757 654 A CB -1.608 17.042 19.000 -0.583 0.000 1.072 654 A HN 0.621 nan 8.150 nan 0.000 0.413 655 P HA 0.371 nan 4.420 nan 0.000 0.275 655 P C 0.306 177.583 177.300 -0.038 0.000 1.228 655 P CA -0.103 62.983 63.100 -0.024 0.000 0.786 655 P CB 1.084 32.791 31.700 0.012 0.000 0.927 656 V N 2.563 122.354 119.914 -0.205 0.000 2.655 656 V HA 0.014 4.132 4.120 -0.004 0.000 0.300 656 V C 1.780 177.693 176.094 -0.300 0.000 1.044 656 V CA 1.215 63.240 62.300 -0.459 0.000 1.095 656 V CB 0.458 31.599 31.823 -1.137 0.000 0.952 656 V HN 0.835 nan 8.190 nan 0.000 0.485 657 S N 3.808 119.354 115.700 -0.257 0.000 2.554 657 S HA 0.283 4.750 4.470 -0.004 0.000 0.227 657 S C 0.542 174.977 174.600 -0.275 0.000 1.050 657 S CA -0.353 57.762 58.200 -0.142 0.000 0.927 657 S CB 0.332 63.508 63.200 -0.040 0.000 0.859 657 S HN 0.728 nan 8.310 nan 0.000 0.494 658 R N -0.812 119.395 120.500 -0.489 0.000 2.522 658 R HA 0.331 4.668 4.340 -0.004 0.000 0.273 658 R C -1.037 174.934 176.300 -0.547 0.000 1.133 658 R CA -0.653 55.102 56.100 -0.575 0.000 0.969 658 R CB 0.330 30.123 30.300 -0.844 0.000 1.235 658 R HN 0.235 nan 8.270 nan 0.000 0.433 659 W N 2.080 123.288 121.300 -0.154 0.000 2.374 659 W HA -0.069 4.589 4.660 -0.004 0.000 0.288 659 W C 1.278 177.930 176.519 0.222 0.000 1.218 659 W CA 0.814 58.158 57.345 -0.001 0.000 1.245 659 W CB 0.321 29.676 29.460 -0.174 0.000 1.126 659 W HN 0.694 nan 8.180 nan 0.000 0.545 660 E N -0.894 119.492 120.200 0.309 0.000 2.333 660 E HA -0.204 4.143 4.350 -0.004 0.000 0.198 660 E C 1.337 178.089 176.600 0.254 0.000 1.007 660 E CA 0.839 57.359 56.400 0.200 0.000 0.845 660 E CB -0.240 29.472 29.700 0.019 0.000 0.766 660 E HN 0.382 nan 8.360 nan 0.000 0.507 661 Y N -1.475 118.918 120.300 0.156 0.000 2.517 661 Y HA 0.044 4.592 4.550 -0.004 0.000 0.281 661 Y C 0.757 176.765 175.900 0.180 0.000 1.125 661 Y CA -0.241 57.924 58.100 0.108 0.000 1.283 661 Y CB -0.444 38.024 38.460 0.012 0.000 1.042 661 Y HN 0.018 nan 8.280 nan 0.000 0.547 662 Y N 1.935 122.402 120.300 0.278 0.000 2.392 662 Y HA 0.294 4.842 4.550 -0.004 0.000 0.323 662 Y C 0.282 176.411 175.900 0.380 0.000 1.291 662 Y CA -2.123 56.149 58.100 0.287 0.000 1.345 662 Y CB 0.385 39.041 38.460 0.327 0.000 1.320 662 Y HN 0.182 nan 8.280 nan 0.000 0.518 663 D N -0.468 119.625 120.400 -0.511 0.000 2.382 663 D HA 0.098 4.735 4.640 -0.004 0.000 0.240 663 D C 0.963 177.243 176.300 -0.032 0.000 1.146 663 D CA 0.346 54.145 54.000 -0.334 0.000 0.897 663 D CB 0.931 41.298 40.800 -0.721 0.000 1.197 663 D HN 0.490 nan 8.370 nan 0.000 0.432 664 S N 1.178 116.873 115.700 -0.009 0.000 2.353 664 S HA -0.234 4.233 4.470 -0.004 0.000 0.222 664 S C 1.892 176.522 174.600 0.050 0.000 1.035 664 S CA 1.263 59.508 58.200 0.075 0.000 1.025 664 S CB -1.019 62.232 63.200 0.085 0.000 0.902 664 S HN 0.433 nan 8.310 nan 0.000 0.440 665 V N 0.877 120.758 119.914 -0.055 0.000 2.261 665 V HA -0.160 3.958 4.120 -0.004 0.000 0.246 665 V C 2.313 178.334 176.094 -0.121 0.000 1.047 665 V CA 2.190 64.370 62.300 -0.201 0.000 1.015 665 V CB -1.130 30.408 31.823 -0.476 0.000 0.642 665 V HN 0.597 nan 8.190 nan 0.000 0.446 666 Y N 1.428 121.676 120.300 -0.087 0.000 2.133 666 Y HA -0.249 4.299 4.550 -0.004 0.000 0.287 666 Y C 2.729 178.649 175.900 0.034 0.000 1.134 666 Y CA 2.414 60.547 58.100 0.055 0.000 1.133 666 Y CB -0.590 38.085 38.460 0.358 0.000 0.987 666 Y HN 0.231 nan 8.280 nan 0.000 0.502 667 T N 0.342 115.105 114.554 0.349 0.000 2.708 667 T HA -0.193 4.155 4.350 -0.004 0.000 0.266 667 T C 1.532 176.212 174.700 -0.033 0.000 1.037 667 T CA 1.905 64.143 62.100 0.230 0.000 1.146 667 T CB -0.321 68.826 68.868 0.465 0.000 0.865 667 T HN 0.450 nan 8.240 nan 0.000 0.435 668 E N 0.613 120.822 120.200 0.016 0.000 2.268 668 E HA -0.069 4.278 4.350 -0.004 0.000 0.195 668 E C 2.328 178.812 176.600 -0.193 0.000 0.995 668 E CA 0.336 56.736 56.400 0.001 0.000 0.836 668 E CB -0.112 29.634 29.700 0.077 0.000 0.763 668 E HN 0.337 nan 8.360 nan 0.000 0.491 669 R N 0.213 120.436 120.500 -0.461 0.000 2.091 669 R HA -0.197 4.141 4.340 -0.004 0.000 0.238 669 R C 1.269 177.019 176.300 -0.916 0.000 1.136 669 R CA 1.635 57.256 56.100 -0.798 0.000 0.959 669 R CB -0.005 29.487 30.300 -1.346 0.000 0.856 669 R HN 0.255 nan 8.270 nan 0.000 0.437 670 Y N -2.064 117.915 120.300 -0.536 0.000 2.524 670 Y HA 0.193 4.741 4.550 -0.004 0.000 0.270 670 Y C 1.837 177.548 175.900 -0.316 0.000 1.094 670 Y CA 0.103 57.882 58.100 -0.535 0.000 1.276 670 Y CB 0.346 38.352 38.460 -0.756 0.000 1.130 670 Y HN -0.053 nan 8.280 nan 0.000 0.536 671 M N -0.419 119.070 119.600 -0.186 0.000 2.337 671 M HA 0.346 4.824 4.480 -0.004 0.000 0.256 671 M C 1.188 177.513 176.300 0.043 0.000 1.075 671 M CA 0.767 55.964 55.300 -0.172 0.000 1.024 671 M CB -0.389 31.907 32.600 -0.508 0.000 1.429 671 M HN 0.362 nan 8.290 nan 0.000 0.497 672 G N 2.085 110.916 108.800 0.052 0.000 2.575 672 G HA2 -0.268 3.689 3.960 -0.004 0.000 0.267 672 G HA3 -0.268 3.689 3.960 -0.004 0.000 0.267 672 G C -0.370 174.670 174.900 0.234 0.000 1.264 672 G CA -0.542 44.627 45.100 0.114 0.000 0.935 672 G HN 0.376 nan 8.290 nan 0.000 0.568 673 L N 2.059 123.386 121.223 0.173 0.000 2.325 673 L HA 0.443 4.780 4.340 -0.004 0.000 0.279 673 L C -1.532 175.315 176.870 -0.038 0.000 1.054 673 L CA -1.859 53.028 54.840 0.079 0.000 0.804 673 L CB 2.126 44.198 42.059 0.021 0.000 1.200 673 L HN 0.423 nan 8.230 nan 0.000 0.436 674 P HA 0.060 nan 4.420 nan 0.000 0.225 674 P C -0.475 176.676 177.300 -0.248 0.000 1.768 674 P CA -0.105 62.584 63.100 -0.684 0.000 0.943 674 P CB -0.529 30.505 31.700 -1.109 0.000 1.936 675 T N -3.224 111.270 114.554 -0.101 0.000 2.912 675 T HA 0.479 4.827 4.350 -0.004 0.000 0.288 675 T C -2.215 172.481 174.700 -0.006 0.000 1.030 675 T CA -2.536 59.536 62.100 -0.047 0.000 1.020 675 T CB 1.875 70.726 68.868 -0.029 0.000 1.056 675 T HN -0.292 nan 8.240 nan 0.000 0.480 676 P HA -0.069 nan 4.420 nan 0.000 0.217 676 P C 0.954 178.266 177.300 0.021 0.000 1.148 676 P CA 1.057 64.166 63.100 0.014 0.000 0.828 676 P CB 0.073 31.779 31.700 0.008 0.000 0.783 677 E N -1.356 118.853 120.200 0.015 0.000 2.274 677 E HA -0.098 4.250 4.350 -0.004 0.000 0.194 677 E C 1.435 178.050 176.600 0.026 0.000 0.996 677 E CA 0.848 57.258 56.400 0.016 0.000 0.840 677 E CB -0.405 29.299 29.700 0.008 0.000 0.772 677 E HN 0.307 nan 8.360 nan 0.000 0.491 678 D N -0.758 119.663 120.400 0.036 0.000 2.838 678 D HA 0.063 4.701 4.640 -0.004 0.000 0.245 678 D C 0.332 176.685 176.300 0.088 0.000 1.424 678 D CA 0.218 54.251 54.000 0.055 0.000 1.214 678 D CB 0.060 40.895 40.800 0.058 0.000 0.937 678 D HN -0.056 nan 8.370 nan 0.000 0.232 679 N N -0.133 118.651 118.700 0.141 0.000 2.305 679 N HA 0.083 4.821 4.740 -0.004 0.000 0.248 679 N C 0.958 176.660 175.510 0.320 0.000 1.290 679 N CA -0.095 53.088 53.050 0.223 0.000 0.873 679 N CB 0.196 38.839 38.487 0.259 0.000 1.261 679 N HN 0.086 nan 8.380 nan 0.000 0.504 680 L N 0.509 121.839 121.223 0.179 0.000 2.043 680 L HA -0.112 4.226 4.340 -0.004 0.000 0.212 680 L C 1.203 178.179 176.870 0.177 0.000 1.075 680 L CA 1.978 56.898 54.840 0.134 0.000 0.752 680 L CB -0.407 41.665 42.059 0.023 0.000 0.891 680 L HN 0.125 nan 8.230 nan 0.000 0.432 681 D N -1.486 119.001 120.400 0.145 0.000 2.104 681 D HA -0.254 4.384 4.640 -0.004 0.000 0.194 681 D C 2.095 178.487 176.300 0.153 0.000 0.994 681 D CA 1.742 55.817 54.000 0.124 0.000 0.830 681 D CB -0.184 40.678 40.800 0.103 0.000 0.959 681 D HN 0.565 nan 8.370 nan 0.000 0.452 682 H N -0.875 118.262 119.070 0.110 0.000 2.395 682 H HA -0.069 4.484 4.556 -0.004 0.000 0.299 682 H C 1.727 177.121 175.328 0.110 0.000 1.070 682 H CA 1.283 57.376 56.048 0.075 0.000 1.356 682 H CB -0.362 29.410 29.762 0.017 0.000 1.401 682 H HN 0.162 nan 8.280 nan 0.000 0.524 683 Y N 0.365 120.654 120.300 -0.017 0.000 2.151 683 Y HA -0.226 4.322 4.550 -0.004 0.000 0.284 683 Y C 2.422 178.285 175.900 -0.061 0.000 1.166 683 Y CA 1.658 59.753 58.100 -0.008 0.000 1.163 683 Y CB 0.096 38.584 38.460 0.046 0.000 0.974 683 Y HN 0.146 nan 8.280 nan 0.000 0.511 684 R N -0.431 120.137 120.500 0.114 0.000 2.193 684 R HA -0.065 4.273 4.340 -0.004 0.000 0.213 684 R C 1.497 177.786 176.300 -0.019 0.000 1.055 684 R CA 0.714 56.835 56.100 0.035 0.000 0.995 684 R CB -0.731 29.592 30.300 0.037 0.000 0.893 684 R HN 0.500 nan 8.270 nan 0.000 0.459 685 N N 0.825 119.489 118.700 -0.061 0.000 2.422 685 N HA -0.055 4.682 4.740 -0.004 0.000 0.181 685 N C 0.126 175.570 175.510 -0.110 0.000 1.080 685 N CA 0.428 53.438 53.050 -0.066 0.000 0.893 685 N CB 0.373 38.855 38.487 -0.010 0.000 0.973 685 N HN 0.080 nan 8.380 nan 0.000 0.456 686 S N -0.244 115.350 115.700 -0.177 0.000 2.562 686 S HA 0.084 4.551 4.470 -0.004 0.000 0.246 686 S C 0.330 174.962 174.600 0.053 0.000 1.056 686 S CA -0.809 57.342 58.200 -0.081 0.000 1.042 686 S CB 0.029 63.117 63.200 -0.186 0.000 0.822 686 S HN 0.146 nan 8.310 nan 0.000 0.465 687 T N -1.717 112.828 114.554 -0.015 0.000 2.928 687 T HA 0.539 4.887 4.350 -0.004 0.000 0.284 687 T C 1.315 176.000 174.700 -0.025 0.000 1.008 687 T CA -0.649 61.429 62.100 -0.037 0.000 1.057 687 T CB 1.380 70.192 68.868 -0.093 0.000 1.018 687 T HN -0.045 nan 8.240 nan 0.000 0.493 688 V N 1.813 121.708 119.914 -0.032 0.000 2.358 688 V HA -0.136 3.982 4.120 -0.004 0.000 0.246 688 V C 2.633 178.689 176.094 -0.063 0.000 1.047 688 V CA 1.692 63.963 62.300 -0.048 0.000 1.035 688 V CB -0.963 30.825 31.823 -0.060 0.000 0.658 688 V HN 0.820 nan 8.190 nan 0.000 0.452 689 M N 1.199 120.747 119.600 -0.087 0.000 2.149 689 M HA -0.160 4.317 4.480 -0.004 0.000 0.261 689 M C 2.317 178.581 176.300 -0.060 0.000 1.064 689 M CA 2.134 57.376 55.300 -0.097 0.000 1.102 689 M CB -0.998 31.558 32.600 -0.074 0.000 1.369 689 M HN 0.540 nan 8.290 nan 0.000 0.408 690 S N -0.355 115.322 115.700 -0.038 0.000 2.507 690 S HA -0.065 4.402 4.470 -0.004 0.000 0.235 690 S C 1.692 176.293 174.600 0.001 0.000 0.988 690 S CA 0.625 58.813 58.200 -0.019 0.000 0.944 690 S CB -0.444 62.745 63.200 -0.018 0.000 0.762 690 S HN 0.545 nan 8.310 nan 0.000 0.526 691 R N 0.379 120.893 120.500 0.023 0.000 2.427 691 R HA 0.453 4.791 4.340 -0.004 0.000 0.262 691 R C 2.110 178.512 176.300 0.170 0.000 0.943 691 R CA 0.415 56.559 56.100 0.073 0.000 1.081 691 R CB -0.186 30.157 30.300 0.070 0.000 1.166 691 R HN 0.463 nan 8.270 nan 0.000 0.534 692 A N 1.704 124.568 122.820 0.073 0.000 1.892 692 A HA -0.288 4.030 4.320 -0.004 0.000 0.218 692 A C 2.049 179.713 177.584 0.133 0.000 1.188 692 A CA 1.937 53.987 52.037 0.022 0.000 0.631 692 A CB -0.283 18.660 19.000 -0.094 0.000 0.822 692 A HN 0.280 nan 8.150 nan 0.000 0.447 693 E N 0.417 120.668 120.200 0.085 0.000 2.160 693 E HA -0.192 4.156 4.350 -0.004 0.000 0.195 693 E C 1.618 178.274 176.600 0.092 0.000 0.991 693 E CA 1.842 58.288 56.400 0.075 0.000 0.810 693 E CB -0.515 29.211 29.700 0.043 0.000 0.742 693 E HN 0.794 nan 8.360 nan 0.000 0.466 694 N N -1.270 117.484 118.700 0.090 0.000 2.459 694 N HA -0.058 4.680 4.740 -0.004 0.000 0.181 694 N C 0.872 176.358 175.510 -0.039 0.000 1.046 694 N CA 0.360 53.411 53.050 0.002 0.000 0.904 694 N CB -0.113 38.328 38.487 -0.077 0.000 0.964 694 N HN 0.161 nan 8.380 nan 0.000 0.444 695 F N 1.496 121.397 119.950 -0.083 0.000 2.546 695 F HA -0.016 4.509 4.527 -0.004 0.000 0.298 695 F C 1.892 177.693 175.800 0.002 0.000 1.120 695 F CA 0.677 58.625 58.000 -0.086 0.000 1.456 695 F CB 0.019 38.914 39.000 -0.175 0.000 1.088 695 F HN -0.060 nan 8.300 nan 0.000 0.572 696 K N 0.079 120.576 120.400 0.162 0.000 2.281 696 K HA -0.200 4.117 4.320 -0.004 0.000 0.203 696 K C 1.555 178.210 176.600 0.092 0.000 1.046 696 K CA 1.094 57.455 56.287 0.124 0.000 0.938 696 K CB -0.226 32.328 32.500 0.090 0.000 0.737 696 K HN 0.448 nan 8.250 nan 0.000 0.458 697 Q N 0.320 120.152 119.800 0.054 0.000 2.425 697 Q HA 0.019 4.357 4.340 -0.004 0.000 0.204 697 Q C 0.327 176.359 176.000 0.053 0.000 0.933 697 Q CA 0.133 55.958 55.803 0.036 0.000 0.939 697 Q CB 0.627 29.365 28.738 0.001 0.000 1.044 697 Q HN 0.136 nan 8.270 nan 0.000 0.513 698 V N -3.235 116.726 119.914 0.077 0.000 3.130 698 V HA 0.474 4.591 4.120 -0.004 0.000 0.310 698 V C -1.166 175.063 176.094 0.224 0.000 1.158 698 V CA -1.294 61.078 62.300 0.121 0.000 1.029 698 V CB 2.282 34.135 31.823 0.050 0.000 1.057 698 V HN -0.054 nan 8.190 nan 0.000 0.436 699 E N 1.532 121.895 120.200 0.272 0.000 2.146 699 E HA 0.470 4.818 4.350 -0.004 0.000 0.282 699 E C -1.844 175.123 176.600 0.612 0.000 0.989 699 E CA -0.359 56.277 56.400 0.394 0.000 0.799 699 E CB 1.706 31.569 29.700 0.272 0.000 1.088 699 E HN 0.680 nan 8.360 nan 0.000 0.397 700 Y N 3.291 123.856 120.300 0.442 0.000 2.409 700 Y HA 0.471 5.018 4.550 -0.004 0.000 0.343 700 Y C -1.654 174.324 175.900 0.130 0.000 0.973 700 Y CA -1.516 56.781 58.100 0.328 0.000 1.064 700 Y CB 1.137 39.823 38.460 0.376 0.000 1.207 700 Y HN 0.417 nan 8.280 nan 0.000 0.452 701 L N 7.481 128.409 121.223 -0.491 0.000 2.349 701 L HA 0.620 4.957 4.340 -0.004 0.000 0.278 701 L C -2.218 174.203 176.870 -0.749 0.000 0.996 701 L CA -0.806 53.603 54.840 -0.719 0.000 0.825 701 L CB 1.386 42.699 42.059 -1.243 0.000 1.243 701 L HN 0.630 nan 8.230 nan 0.000 0.412 702 L N 6.648 127.527 121.223 -0.573 0.000 2.313 702 L HA 0.717 5.054 4.340 -0.004 0.000 0.283 702 L C -1.202 175.547 176.870 -0.202 0.000 1.013 702 L CA -0.050 54.502 54.840 -0.480 0.000 0.816 702 L CB 1.244 43.060 42.059 -0.404 0.000 1.236 702 L HN 0.597 nan 8.230 nan 0.000 0.419 703 I N 4.474 124.937 120.570 -0.179 0.000 2.582 703 I HA 0.451 4.618 4.170 -0.004 0.000 0.292 703 I C -1.241 174.855 176.117 -0.035 0.000 1.066 703 I CA -0.668 60.581 61.300 -0.086 0.000 1.053 703 I CB 2.107 40.020 38.000 -0.145 0.000 1.241 703 I HN 0.679 nan 8.210 nan 0.000 0.421 704 H N 2.292 121.413 119.070 0.086 0.000 3.038 704 H HA 0.519 5.073 4.556 -0.004 0.000 0.362 704 H C -0.329 175.232 175.328 0.388 0.000 1.167 704 H CA -0.556 55.594 56.048 0.169 0.000 1.197 704 H CB 2.092 31.894 29.762 0.067 0.000 1.840 704 H HN 0.740 nan 8.280 nan 0.000 0.540 705 G N 0.849 109.977 108.800 0.546 0.000 2.390 705 G HA2 0.213 4.170 3.960 -0.004 0.000 0.270 705 G HA3 0.213 4.170 3.960 -0.004 0.000 0.270 705 G C 1.116 176.301 174.900 0.474 0.000 1.211 705 G CA 0.124 45.518 45.100 0.490 0.000 0.842 705 G HN 0.754 nan 8.290 nan 0.000 0.519 706 T N -0.741 113.950 114.554 0.229 0.000 2.995 706 T HA 0.097 4.444 4.350 -0.004 0.000 0.269 706 T C 1.666 176.354 174.700 -0.020 0.000 1.091 706 T CA 1.238 63.283 62.100 -0.092 0.000 1.128 706 T CB 0.173 68.907 68.868 -0.223 0.000 0.891 706 T HN 0.685 nan 8.240 nan 0.000 0.492 707 A N 1.071 123.957 122.820 0.110 0.000 2.708 707 A HA 0.317 4.635 4.320 -0.004 0.000 0.293 707 A C 0.374 177.960 177.584 0.004 0.000 1.303 707 A CA -0.512 51.583 52.037 0.097 0.000 0.949 707 A CB -0.302 19.009 19.000 0.519 0.000 1.121 707 A HN 0.364 nan 8.150 nan 0.000 0.542 708 D N 1.603 122.008 120.400 0.007 0.000 2.342 708 D HA -0.005 4.632 4.640 -0.004 0.000 0.260 708 D C 0.400 176.677 176.300 -0.039 0.000 1.278 708 D CA 0.070 54.166 54.000 0.159 0.000 0.910 708 D CB 0.629 41.675 40.800 0.411 0.000 1.079 708 D HN 0.565 nan 8.370 nan 0.000 0.496 709 D N 2.337 122.776 120.400 0.066 0.000 2.347 709 D HA -0.149 4.489 4.640 -0.004 0.000 0.215 709 D C 0.934 177.235 176.300 0.002 0.000 0.976 709 D CA 0.022 54.023 54.000 0.001 0.000 0.884 709 D CB 0.470 41.218 40.800 -0.087 0.000 0.915 709 D HN 0.238 nan 8.370 nan 0.000 0.526 710 N N 0.804 119.581 118.700 0.130 0.000 2.426 710 N HA -0.050 4.687 4.740 -0.004 0.000 0.205 710 N C -0.065 175.401 175.510 -0.073 0.000 1.040 710 N CA 0.428 53.596 53.050 0.197 0.000 0.990 710 N CB 0.420 39.054 38.487 0.244 0.000 1.215 710 N HN -0.110 nan 8.380 nan 0.000 0.491 711 V N 4.063 123.925 119.914 -0.086 0.000 2.320 711 V HA 0.193 4.310 4.120 -0.004 0.000 0.265 711 V C -0.498 175.639 176.094 0.071 0.000 1.048 711 V CA -0.636 61.653 62.300 -0.019 0.000 0.865 711 V CB -0.060 31.796 31.823 0.055 0.000 1.043 711 V HN 0.306 nan 8.190 nan 0.000 0.474 712 H N 3.503 122.553 119.070 -0.033 0.000 2.871 712 H HA 0.026 4.580 4.556 -0.004 0.000 0.355 712 H C 0.870 176.044 175.328 -0.258 0.000 1.092 712 H CA -0.323 55.619 56.048 -0.178 0.000 1.420 712 H CB 0.598 30.175 29.762 -0.308 0.000 1.400 712 H HN 0.621 nan 8.280 nan 0.000 0.604 713 F N 2.020 121.760 119.950 -0.349 0.000 2.192 713 F HA -0.303 4.221 4.527 -0.004 0.000 0.301 713 F C 2.599 178.120 175.800 -0.465 0.000 1.079 713 F CA 1.931 59.535 58.000 -0.660 0.000 1.303 713 F CB -0.067 38.733 39.000 -0.334 0.000 1.024 713 F HN 0.662 nan 8.300 nan 0.000 0.494 714 Q N 0.168 119.843 119.800 -0.208 0.000 2.207 714 Q HA -0.359 3.978 4.340 -0.004 0.000 0.215 714 Q C 2.101 177.866 176.000 -0.392 0.000 1.006 714 Q CA 2.580 58.198 55.803 -0.308 0.000 0.903 714 Q CB -0.395 28.125 28.738 -0.362 0.000 0.947 714 Q HN 0.611 nan 8.270 nan 0.000 0.414 715 Q N -0.576 119.030 119.800 -0.322 0.000 2.084 715 Q HA -0.109 4.228 4.340 -0.004 0.000 0.202 715 Q C 2.228 178.129 176.000 -0.166 0.000 0.978 715 Q CA 1.710 57.446 55.803 -0.112 0.000 0.844 715 Q CB -0.044 28.704 28.738 0.017 0.000 0.898 715 Q HN 0.339 nan 8.270 nan 0.000 0.426 716 S N 0.641 116.125 115.700 -0.360 0.000 2.436 716 S HA 0.024 4.492 4.470 -0.004 0.000 0.228 716 S C 2.008 176.356 174.600 -0.421 0.000 1.014 716 S CA 0.627 58.619 58.200 -0.347 0.000 0.950 716 S CB -0.017 62.991 63.200 -0.320 0.000 0.784 716 S HN 0.443 nan 8.310 nan 0.000 0.504 717 A N 1.434 123.918 122.820 -0.560 0.000 1.933 717 A HA -0.129 4.189 4.320 -0.004 0.000 0.218 717 A C 2.131 179.613 177.584 -0.171 0.000 1.175 717 A CA 1.122 52.965 52.037 -0.324 0.000 0.628 717 A CB -0.357 18.514 19.000 -0.215 0.000 0.814 717 A HN 0.356 nan 8.150 nan 0.000 0.444 718 Q N -0.577 119.131 119.800 -0.154 0.000 2.187 718 Q HA 0.034 4.371 4.340 -0.004 0.000 0.199 718 Q C 2.111 178.056 176.000 -0.091 0.000 0.957 718 Q CA 0.875 56.641 55.803 -0.061 0.000 0.857 718 Q CB -0.270 28.509 28.738 0.069 0.000 0.929 718 Q HN 0.777 nan 8.270 nan 0.000 0.453 719 I N 1.247 121.735 120.570 -0.138 0.000 2.142 719 I HA -0.300 3.867 4.170 -0.004 0.000 0.240 719 I C 2.581 178.524 176.117 -0.290 0.000 1.078 719 I CA 1.568 62.738 61.300 -0.217 0.000 1.343 719 I CB -0.464 37.412 38.000 -0.207 0.000 1.046 719 I HN 0.182 nan 8.210 nan 0.000 0.405 720 S N 0.848 116.410 115.700 -0.230 0.000 2.368 720 S HA -0.286 4.181 4.470 -0.004 0.000 0.225 720 S C 2.042 176.614 174.600 -0.046 0.000 1.030 720 S CA 1.539 59.647 58.200 -0.154 0.000 0.999 720 S CB -0.464 62.810 63.200 0.123 0.000 0.844 720 S HN 0.388 nan 8.310 nan 0.000 0.459 721 K N 1.650 122.024 120.400 -0.044 0.000 2.057 721 K HA 0.055 4.373 4.320 -0.004 0.000 0.207 721 K C 2.315 178.893 176.600 -0.036 0.000 1.049 721 K CA 1.097 57.376 56.287 -0.013 0.000 0.931 721 K CB -0.677 31.813 32.500 -0.016 0.000 0.714 721 K HN 0.446 nan 8.250 nan 0.000 0.440 722 A N 1.096 123.865 122.820 -0.086 0.000 1.902 722 A HA -0.119 4.199 4.320 -0.004 0.000 0.217 722 A C 2.083 179.597 177.584 -0.117 0.000 1.181 722 A CA 1.327 53.305 52.037 -0.098 0.000 0.623 722 A CB -0.585 18.337 19.000 -0.129 0.000 0.818 722 A HN 0.316 nan 8.150 nan 0.000 0.443 723 L N -0.678 120.425 121.223 -0.200 0.000 2.056 723 L HA -0.139 4.198 4.340 -0.004 0.000 0.207 723 L C 2.524 179.412 176.870 0.030 0.000 1.078 723 L CA 0.980 55.710 54.840 -0.183 0.000 0.749 723 L CB -0.653 41.109 42.059 -0.496 0.000 0.901 723 L HN 0.230 nan 8.230 nan 0.000 0.433 724 V N -0.024 119.950 119.914 0.101 0.000 2.332 724 V HA -0.319 3.798 4.120 -0.004 0.000 0.248 724 V C 2.041 178.175 176.094 0.066 0.000 1.055 724 V CA 2.022 64.400 62.300 0.130 0.000 1.038 724 V CB -0.565 31.332 31.823 0.124 0.000 0.651 724 V HN 0.439 nan 8.190 nan 0.000 0.450 725 D N 0.149 120.568 120.400 0.031 0.000 2.218 725 D HA -0.100 4.537 4.640 -0.004 0.000 0.204 725 D C 1.775 178.088 176.300 0.021 0.000 0.976 725 D CA 1.609 55.621 54.000 0.020 0.000 0.853 725 D CB -0.098 40.705 40.800 0.005 0.000 0.939 725 D HN 0.568 nan 8.370 nan 0.000 0.481 726 V N -3.795 116.132 119.914 0.021 0.000 3.542 726 V HA 0.497 4.615 4.120 -0.004 0.000 0.296 726 V C 1.207 177.330 176.094 0.048 0.000 1.364 726 V CA 0.291 62.608 62.300 0.028 0.000 1.118 726 V CB -0.093 31.742 31.823 0.021 0.000 0.972 726 V HN 0.139 nan 8.190 nan 0.000 0.430 727 G N 0.489 109.326 108.800 0.062 0.000 2.225 727 G HA2 -0.177 3.780 3.960 -0.004 0.000 0.264 727 G HA3 -0.177 3.780 3.960 -0.004 0.000 0.264 727 G C -0.131 174.832 174.900 0.105 0.000 1.060 727 G CA 0.174 45.321 45.100 0.077 0.000 0.833 727 G HN 0.849 nan 8.290 nan 0.000 0.498 728 V N 0.546 120.543 119.914 0.138 0.000 2.370 728 V HA 0.430 4.548 4.120 -0.004 0.000 0.279 728 V C 0.422 176.705 176.094 0.314 0.000 1.029 728 V CA -0.583 61.832 62.300 0.192 0.000 0.870 728 V CB 1.693 33.612 31.823 0.161 0.000 0.984 728 V HN 0.438 nan 8.190 nan 0.000 0.451 729 D N 4.384 124.940 120.400 0.259 0.000 2.350 729 D HA 0.545 5.183 4.640 -0.004 0.000 0.249 729 D C -0.568 175.968 176.300 0.393 0.000 1.119 729 D CA 0.240 54.383 54.000 0.238 0.000 0.886 729 D CB 0.658 41.532 40.800 0.123 0.000 1.195 729 D HN 0.347 nan 8.370 nan 0.000 0.437 730 F N 0.060 120.089 119.950 0.131 0.000 2.779 730 F HA 0.495 5.019 4.527 -0.004 0.000 0.316 730 F C -1.408 174.451 175.800 0.098 0.000 1.164 730 F CA -1.151 56.950 58.000 0.167 0.000 0.924 730 F CB 0.726 39.859 39.000 0.223 0.000 1.348 730 F HN 0.054 nan 8.300 nan 0.000 0.467 731 Q N 1.377 121.248 119.800 0.118 0.000 2.235 731 Q HA 0.818 5.155 4.340 -0.004 0.000 0.256 731 Q C -0.849 175.135 176.000 -0.027 0.000 0.951 731 Q CA -0.775 55.006 55.803 -0.038 0.000 0.890 731 Q CB 2.039 30.792 28.738 0.025 0.000 1.279 731 Q HN 1.049 nan 8.270 nan 0.000 0.444 732 A N 1.665 124.445 122.820 -0.067 0.000 2.498 732 A HA 0.850 5.168 4.320 -0.004 0.000 0.298 732 A C -1.293 176.247 177.584 -0.075 0.000 1.075 732 A CA -0.586 51.448 52.037 -0.005 0.000 0.714 732 A CB 1.920 20.960 19.000 0.068 0.000 1.299 732 A HN 0.616 nan 8.150 nan 0.000 0.407 733 M N 1.578 121.122 119.600 -0.094 0.000 2.274 733 M HA 0.558 5.035 4.480 -0.004 0.000 0.272 733 M C -1.871 174.319 176.300 -0.184 0.000 1.053 733 M CA -0.623 54.480 55.300 -0.329 0.000 0.978 733 M CB 1.053 33.360 32.600 -0.488 0.000 1.836 733 M HN 0.928 nan 8.290 nan 0.000 0.484 734 W N 4.217 125.375 121.300 -0.236 0.000 2.448 734 W HA 0.767 5.425 4.660 -0.004 0.000 0.339 734 W C -1.907 174.340 176.519 -0.452 0.000 1.124 734 W CA -0.703 56.575 57.345 -0.111 0.000 1.262 734 W CB 0.352 29.798 29.460 -0.025 0.000 1.251 734 W HN 0.609 nan 8.180 nan 0.000 0.597 735 Y N 2.167 122.586 120.300 0.198 0.000 2.388 735 Y HA 0.292 4.840 4.550 -0.004 0.000 0.328 735 Y C 0.444 176.449 175.900 0.174 0.000 0.963 735 Y CA -1.142 56.995 58.100 0.061 0.000 1.240 735 Y CB 1.333 39.811 38.460 0.030 0.000 1.118 735 Y HN 0.417 nan 8.280 nan 0.000 0.484 736 T N 4.643 119.349 114.554 0.254 0.000 2.831 736 T HA -0.006 4.341 4.350 -0.004 0.000 0.291 736 T C 0.129 174.901 174.700 0.119 0.000 0.981 736 T CA 0.645 62.854 62.100 0.182 0.000 1.174 736 T CB -0.147 68.770 68.868 0.082 0.000 0.929 736 T HN 0.699 nan 8.240 nan 0.000 0.532 737 D N 0.941 121.385 120.400 0.073 0.000 3.079 737 D HA -0.120 4.517 4.640 -0.004 0.000 0.214 737 D C 0.256 176.681 176.300 0.207 0.000 1.145 737 D CA 1.098 55.066 54.000 -0.052 0.000 0.958 737 D CB -0.398 40.158 40.800 -0.406 0.000 1.117 737 D HN 0.538 nan 8.370 nan 0.000 0.416 738 E N 0.795 121.143 120.200 0.246 0.000 2.277 738 E HA 0.358 4.706 4.350 -0.004 0.000 0.274 738 E C 0.753 177.547 176.600 0.323 0.000 1.022 738 E CA -0.299 56.271 56.400 0.283 0.000 0.853 738 E CB 1.267 31.126 29.700 0.266 0.000 1.086 738 E HN 0.338 nan 8.360 nan 0.000 0.397 739 D N -0.476 120.128 120.400 0.340 0.000 2.541 739 D HA 0.013 4.650 4.640 -0.004 0.000 0.276 739 D C 1.050 177.594 176.300 0.408 0.000 1.190 739 D CA -0.195 54.031 54.000 0.377 0.000 1.095 739 D CB -0.211 40.837 40.800 0.415 0.000 1.173 739 D HN 0.396 nan 8.370 nan 0.000 0.604 740 H N -1.523 117.743 119.070 0.326 0.000 2.456 740 H HA 0.122 4.676 4.556 -0.004 0.000 0.296 740 H C 1.896 177.485 175.328 0.434 0.000 1.079 740 H CA 2.084 58.344 56.048 0.354 0.000 1.322 740 H CB -0.379 29.575 29.762 0.320 0.000 1.388 740 H HN 0.492 nan 8.280 nan 0.000 0.538 741 G N -0.185 108.799 108.800 0.307 0.000 2.623 741 G HA2 -0.015 3.943 3.960 -0.004 0.000 0.214 741 G HA3 -0.015 3.943 3.960 -0.004 0.000 0.214 741 G C 0.624 175.704 174.900 0.299 0.000 1.138 741 G CA 0.269 45.468 45.100 0.164 0.000 0.794 741 G HN 0.516 nan 8.290 nan 0.000 0.535 742 I N 0.161 120.954 120.570 0.372 0.000 3.815 742 I HA -0.330 3.837 4.170 -0.004 0.000 0.126 742 I C 1.494 177.751 176.117 0.234 0.000 1.050 742 I CA 0.177 61.646 61.300 0.282 0.000 2.736 742 I CB -1.067 37.067 38.000 0.223 0.000 1.417 742 I HN 0.256 nan 8.210 nan 0.000 0.341 743 A N 1.698 124.626 122.820 0.181 0.000 2.431 743 A HA 0.269 4.587 4.320 -0.004 0.000 0.239 743 A C 1.138 178.778 177.584 0.094 0.000 1.230 743 A CA 0.546 52.657 52.037 0.123 0.000 0.928 743 A CB 0.228 19.274 19.000 0.075 0.000 1.006 743 A HN 0.650 nan 8.150 nan 0.000 0.520 744 S N -0.181 115.588 115.700 0.115 0.000 2.573 744 S HA 0.151 4.619 4.470 -0.004 0.000 0.277 744 S C 1.254 175.909 174.600 0.092 0.000 1.346 744 S CA 0.430 58.688 58.200 0.097 0.000 1.034 744 S CB 1.071 64.336 63.200 0.108 0.000 0.879 744 S HN 0.545 nan 8.310 nan 0.000 0.528 745 S N 2.185 117.924 115.700 0.065 0.000 2.365 745 S HA -0.185 4.283 4.470 -0.004 0.000 0.225 745 S C 2.078 176.737 174.600 0.098 0.000 1.039 745 S CA 2.325 60.563 58.200 0.063 0.000 1.033 745 S CB -1.613 61.608 63.200 0.034 0.000 0.887 745 S HN 1.059 nan 8.310 nan 0.000 0.447 746 T N -0.279 114.323 114.554 0.081 0.000 2.777 746 T HA 0.193 4.541 4.350 -0.004 0.000 0.266 746 T C 1.983 176.739 174.700 0.094 0.000 1.040 746 T CA 1.257 63.407 62.100 0.083 0.000 1.141 746 T CB -0.881 68.026 68.868 0.066 0.000 0.868 746 T HN 0.469 nan 8.240 nan 0.000 0.444 747 A N 1.332 124.191 122.820 0.065 0.000 1.929 747 A HA -0.033 4.285 4.320 -0.004 0.000 0.216 747 A C 2.171 179.702 177.584 -0.089 0.000 1.176 747 A CA 1.839 53.848 52.037 -0.046 0.000 0.628 747 A CB -1.177 17.772 19.000 -0.085 0.000 0.816 747 A HN 0.754 nan 8.150 nan 0.000 0.444 748 H N -0.061 118.992 119.070 -0.030 0.000 2.319 748 H HA -0.156 4.397 4.556 -0.004 0.000 0.299 748 H C 2.098 177.484 175.328 0.097 0.000 1.092 748 H CA 2.385 58.469 56.048 0.059 0.000 1.302 748 H CB -0.186 29.619 29.762 0.071 0.000 1.373 748 H HN 0.564 nan 8.280 nan 0.000 0.497 749 Q N -1.026 118.787 119.800 0.021 0.000 2.124 749 Q HA -0.184 4.154 4.340 -0.004 0.000 0.202 749 Q C 2.191 178.175 176.000 -0.026 0.000 0.977 749 Q CA 1.290 57.066 55.803 -0.046 0.000 0.850 749 Q CB -0.152 28.598 28.738 0.020 0.000 0.901 749 Q HN 0.648 nan 8.270 nan 0.000 0.429 750 H N 0.693 119.729 119.070 -0.056 0.000 2.326 750 H HA -0.055 4.498 4.556 -0.004 0.000 0.301 750 H C 2.050 177.366 175.328 -0.020 0.000 1.081 750 H CA 1.238 57.288 56.048 0.003 0.000 1.334 750 H CB 0.018 29.839 29.762 0.100 0.000 1.385 750 H HN 0.268 nan 8.280 nan 0.000 0.504 751 I N 0.196 120.721 120.570 -0.075 0.000 2.179 751 I HA -0.331 3.836 4.170 -0.004 0.000 0.242 751 I C 1.807 177.685 176.117 -0.399 0.000 1.088 751 I CA 1.300 62.461 61.300 -0.232 0.000 1.357 751 I CB -0.270 37.398 38.000 -0.553 0.000 1.051 751 I HN 0.149 nan 8.210 nan 0.000 0.409 752 Y N 0.983 121.054 120.300 -0.383 0.000 2.293 752 Y HA -0.206 4.342 4.550 -0.004 0.000 0.291 752 Y C 2.725 178.417 175.900 -0.346 0.000 1.137 752 Y CA 1.824 59.587 58.100 -0.562 0.000 1.202 752 Y CB -0.944 37.181 38.460 -0.558 0.000 0.990 752 Y HN 0.162 nan 8.280 nan 0.000 0.537 753 T N -1.555 112.924 114.554 -0.126 0.000 2.708 753 T HA -0.246 4.102 4.350 -0.004 0.000 0.266 753 T C 1.573 176.165 174.700 -0.181 0.000 1.037 753 T CA 1.953 63.944 62.100 -0.181 0.000 1.146 753 T CB -0.475 68.286 68.868 -0.177 0.000 0.865 753 T HN 0.406 nan 8.240 nan 0.000 0.435 754 H N 0.803 119.761 119.070 -0.186 0.000 2.321 754 H HA 0.106 4.660 4.556 -0.004 0.000 0.300 754 H C 2.197 177.520 175.328 -0.009 0.000 1.087 754 H CA 1.580 57.595 56.048 -0.056 0.000 1.319 754 H CB -0.264 29.462 29.762 -0.060 0.000 1.379 754 H HN 0.254 nan 8.280 nan 0.000 0.501 755 M N -0.875 118.669 119.600 -0.093 0.000 2.159 755 M HA -0.162 4.315 4.480 -0.004 0.000 0.263 755 M C 2.418 178.841 176.300 0.205 0.000 1.063 755 M CA 1.450 56.699 55.300 -0.086 0.000 1.110 755 M CB -0.006 32.293 32.600 -0.502 0.000 1.374 755 M HN 0.197 nan 8.290 nan 0.000 0.411 756 S N -0.589 115.253 115.700 0.236 0.000 2.356 756 S HA -0.159 4.308 4.470 -0.004 0.000 0.223 756 S C 1.690 176.387 174.600 0.160 0.000 1.032 756 S CA 1.049 59.471 58.200 0.370 0.000 1.005 756 S CB -0.581 62.827 63.200 0.347 0.000 0.867 756 S HN 0.464 nan 8.310 nan 0.000 0.449 757 H N -0.159 118.978 119.070 0.111 0.000 2.352 757 H HA -0.061 4.492 4.556 -0.004 0.000 0.299 757 H C 1.974 177.310 175.328 0.012 0.000 1.097 757 H CA 1.368 57.434 56.048 0.031 0.000 1.311 757 H CB -0.740 28.993 29.762 -0.049 0.000 1.377 757 H HN 0.460 nan 8.280 nan 0.000 0.504 758 F N 1.233 121.176 119.950 -0.012 0.000 2.102 758 F HA -0.172 4.352 4.527 -0.004 0.000 0.298 758 F C 2.291 178.045 175.800 -0.076 0.000 1.105 758 F CA 0.844 58.804 58.000 -0.067 0.000 1.239 758 F CB -0.261 38.673 39.000 -0.111 0.000 0.991 758 F HN -0.055 nan 8.300 nan 0.000 0.474 759 I N 0.774 121.347 120.570 0.006 0.000 2.226 759 I HA -0.287 3.880 4.170 -0.004 0.000 0.245 759 I C 2.246 178.145 176.117 -0.362 0.000 1.100 759 I CA 1.565 62.694 61.300 -0.285 0.000 1.374 759 I CB -1.355 36.554 38.000 -0.151 0.000 1.057 759 I HN 0.227 nan 8.210 nan 0.000 0.413 760 K N 0.167 120.508 120.400 -0.098 0.000 2.057 760 K HA -0.209 4.109 4.320 -0.004 0.000 0.207 760 K C 2.133 178.718 176.600 -0.025 0.000 1.049 760 K CA 1.049 57.336 56.287 -0.000 0.000 0.931 760 K CB -0.235 32.318 32.500 0.089 0.000 0.714 760 K HN 0.308 nan 8.250 nan 0.000 0.440 761 Q N 1.331 121.078 119.800 -0.087 0.000 2.050 761 Q HA -0.228 4.110 4.340 -0.004 0.000 0.202 761 Q C 2.268 178.175 176.000 -0.155 0.000 0.980 761 Q CA 1.933 57.669 55.803 -0.111 0.000 0.840 761 Q CB -0.757 27.894 28.738 -0.144 0.000 0.898 761 Q HN 0.416 nan 8.270 nan 0.000 0.424 762 c N 0.258 118.662 118.600 -0.327 0.000 2.413 762 c HA -0.101 4.466 4.570 -0.004 0.000 0.277 762 c C 2.221 176.330 174.090 0.030 0.000 1.265 762 c CA 0.546 56.704 56.329 -0.285 0.000 1.752 762 c CB -1.389 40.790 42.510 -0.552 0.000 1.998 762 c HN 0.546 nan 8.230 nan 0.000 0.489 763 F N 1.574 121.488 119.950 -0.059 0.000 2.765 763 F HA 0.244 4.769 4.527 -0.004 0.000 0.302 763 F C 1.662 177.450 175.800 -0.020 0.000 1.111 763 F CA 0.432 58.418 58.000 -0.023 0.000 1.359 763 F CB -1.185 37.809 39.000 -0.010 0.000 1.097 763 F HN 0.221 nan 8.300 nan 0.000 0.577 764 S N 0.799 116.582 115.700 0.138 0.000 3.641 764 S HA -0.208 4.260 4.470 -0.004 0.000 0.346 764 S C 0.019 174.664 174.600 0.075 0.000 1.074 764 S CA 0.098 58.343 58.200 0.075 0.000 1.026 764 S CB -2.153 61.080 63.200 0.055 0.000 0.908 764 S HN 0.238 nan 8.310 nan 0.000 0.479 765 L N 2.016 123.295 121.223 0.095 0.000 2.275 765 L HA 0.465 4.803 4.340 -0.004 0.000 0.288 765 L C -1.064 175.850 176.870 0.072 0.000 1.046 765 L CA -1.905 52.987 54.840 0.087 0.000 0.805 765 L CB 0.522 42.650 42.059 0.115 0.000 1.193 765 L HN 0.067 nan 8.230 nan 0.000 0.426 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.135 63.100 0.059 0.000 0.800 766 P CB 0.000 31.727 31.700 0.046 0.000 0.726