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 2ogz_1_A DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.641 174.600 0.068 0.000 1.055 39 S CA 0.000 58.228 58.200 0.046 0.000 1.107 39 S CB 0.000 63.222 63.200 0.036 0.000 0.593 40 R N 0.552 121.093 120.500 0.067 0.000 3.969 40 R HA -0.178 4.162 4.340 0.000 0.000 0.424 40 R C -0.676 175.676 176.300 0.087 0.000 0.241 40 R CA 1.276 57.424 56.100 0.079 0.000 1.349 40 R CB -1.059 29.291 30.300 0.085 0.000 1.085 40 R HN 1.035 nan 8.270 nan 0.000 0.523 41 K N -0.863 119.595 120.400 0.097 0.000 2.430 41 K HA 0.629 4.950 4.320 0.000 0.000 0.268 41 K C -1.013 175.652 176.600 0.108 0.000 1.043 41 K CA -0.519 55.830 56.287 0.103 0.000 0.899 41 K CB 1.786 34.352 32.500 0.110 0.000 1.472 41 K HN 0.702 nan 8.250 nan 0.000 0.451 42 T N -2.219 112.405 114.554 0.117 0.000 2.943 42 T HA 0.278 4.628 4.350 0.000 0.000 0.284 42 T C -0.804 173.999 174.700 0.173 0.000 1.015 42 T CA -0.655 61.524 62.100 0.131 0.000 1.042 42 T CB 0.568 69.511 68.868 0.126 0.000 1.055 42 T HN 0.491 nan 8.240 nan 0.000 0.500 43 Y N 3.054 123.390 120.300 0.060 0.000 2.531 43 Y HA 0.365 4.915 4.550 0.000 0.000 0.347 43 Y C 0.908 176.935 175.900 0.210 0.000 1.024 43 Y CA -0.319 57.833 58.100 0.086 0.000 1.306 43 Y CB -0.210 38.258 38.460 0.015 0.000 1.149 43 Y HN 1.021 nan 8.280 nan 0.000 0.527 44 T N 2.484 116.974 114.554 -0.107 0.000 2.862 44 T HA 0.157 4.507 4.350 0.000 0.000 0.276 44 T C 0.930 175.451 174.700 -0.298 0.000 0.974 44 T CA -0.759 61.322 62.100 -0.032 0.000 0.966 44 T CB 1.219 70.073 68.868 -0.023 0.000 1.072 44 T HN 0.665 nan 8.240 nan 0.000 0.538 45 L N 0.697 121.578 121.223 -0.570 0.000 2.093 45 L HA 0.043 4.383 4.340 0.000 0.000 0.208 45 L C 2.612 179.318 176.870 -0.274 0.000 1.085 45 L CA 2.010 56.435 54.840 -0.692 0.000 0.755 45 L CB -1.371 40.157 42.059 -0.885 0.000 0.904 45 L HN 0.944 nan 8.230 nan 0.000 0.435 46 T N -0.629 113.797 114.554 -0.213 0.000 2.821 46 T HA -0.136 4.214 4.350 0.000 0.000 0.267 46 T C 1.445 176.069 174.700 -0.127 0.000 1.046 46 T CA 1.356 63.376 62.100 -0.133 0.000 1.139 46 T CB -0.278 68.539 68.868 -0.084 0.000 0.871 46 T HN 0.395 nan 8.240 nan 0.000 0.454 47 D N 0.193 120.489 120.400 -0.174 0.000 2.084 47 D HA -0.087 4.553 4.640 0.000 0.000 0.194 47 D C 1.771 178.016 176.300 -0.090 0.000 0.990 47 D CA 1.083 54.989 54.000 -0.156 0.000 0.826 47 D CB -0.441 40.160 40.800 -0.333 0.000 0.971 47 D HN 0.380 nan 8.370 nan 0.000 0.453 48 Y N 1.848 121.963 120.300 -0.309 0.000 2.089 48 Y HA -0.158 4.392 4.550 0.000 0.000 0.282 48 Y C 2.273 178.191 175.900 0.030 0.000 1.139 48 Y CA 1.355 59.450 58.100 -0.008 0.000 1.123 48 Y CB -0.785 37.712 38.460 0.062 0.000 0.980 48 Y HN -0.103 nan 8.280 nan 0.000 0.493 49 L N 0.087 121.084 121.223 -0.377 0.000 2.083 49 L HA -0.205 4.135 4.340 0.000 0.000 0.209 49 L C 1.960 178.714 176.870 -0.194 0.000 1.083 49 L CA 1.481 56.086 54.840 -0.392 0.000 0.752 49 L CB -0.550 41.369 42.059 -0.232 0.000 0.899 49 L HN 0.133 nan 8.230 nan 0.000 0.433 50 K N 0.047 120.372 120.400 -0.125 0.000 2.404 50 K HA 0.029 4.349 4.320 0.000 0.000 0.194 50 K C 0.086 176.653 176.600 -0.054 0.000 1.023 50 K CA -0.111 56.130 56.287 -0.077 0.000 1.094 50 K CB -0.600 31.860 32.500 -0.066 0.000 0.841 50 K HN 0.320 nan 8.250 nan 0.000 0.523 51 N N 1.923 120.601 118.700 -0.036 0.000 2.686 51 N HA -0.238 4.502 4.740 0.000 0.000 0.261 51 N C 0.688 176.214 175.510 0.027 0.000 1.001 51 N CA 0.463 53.540 53.050 0.045 0.000 0.764 51 N CB -0.232 38.268 38.487 0.022 0.000 0.898 51 N HN 0.356 nan 8.380 nan 0.000 0.544 52 T N -1.896 112.650 114.554 -0.014 0.000 2.995 52 T HA -0.101 4.249 4.350 0.000 0.000 0.269 52 T C 0.400 174.906 174.700 -0.324 0.000 1.091 52 T CA 0.937 62.915 62.100 -0.204 0.000 1.128 52 T CB -0.057 68.601 68.868 -0.350 0.000 0.891 52 T HN 0.354 nan 8.240 nan 0.000 0.492 53 Y N 1.592 121.994 120.300 0.170 0.000 2.587 53 Y HA 0.641 5.191 4.550 0.000 0.000 0.328 53 Y C 0.342 176.348 175.900 0.177 0.000 0.980 53 Y CA -1.448 56.767 58.100 0.193 0.000 1.272 53 Y CB 0.725 39.357 38.460 0.287 0.000 1.094 53 Y HN -0.025 nan 8.280 nan 0.000 0.503 54 R N 2.131 122.756 120.500 0.208 0.000 2.308 54 R HA 0.446 4.786 4.340 0.000 0.000 0.305 54 R C -1.333 175.074 176.300 0.179 0.000 1.053 54 R CA -0.513 55.687 56.100 0.166 0.000 0.957 54 R CB 0.396 30.752 30.300 0.093 0.000 1.022 54 R HN 0.543 nan 8.270 nan 0.000 0.461 55 L N 4.705 126.036 121.223 0.180 0.000 2.278 55 L HA 0.303 4.643 4.340 0.000 0.000 0.287 55 L C -0.008 176.949 176.870 0.145 0.000 1.072 55 L CA 0.391 55.343 54.840 0.187 0.000 0.819 55 L CB 0.957 43.145 42.059 0.215 0.000 1.176 55 L HN 0.504 nan 8.230 nan 0.000 0.435 56 K N 4.852 125.333 120.400 0.134 0.000 2.276 56 K HA 0.499 4.819 4.320 0.000 0.000 0.283 56 K C -0.555 176.092 176.600 0.079 0.000 1.044 56 K CA -0.377 55.964 56.287 0.090 0.000 0.944 56 K CB 1.031 33.580 32.500 0.082 0.000 1.012 56 K HN 0.448 nan 8.250 nan 0.000 0.472 57 L N 1.734 122.937 121.223 -0.034 0.000 2.421 57 L HA 0.479 4.819 4.340 0.000 0.000 0.267 57 L C -0.788 175.834 176.870 -0.414 0.000 1.036 57 L CA -1.131 53.547 54.840 -0.270 0.000 0.829 57 L CB 0.553 42.554 42.059 -0.097 0.000 1.437 57 L HN 0.505 nan 8.230 nan 0.000 0.488 58 Y N 0.095 119.891 120.300 -0.840 0.000 2.475 58 Y HA 0.321 4.871 4.550 0.000 0.000 0.343 58 Y C -0.823 174.904 175.900 -0.289 0.000 1.068 58 Y CA -0.623 57.177 58.100 -0.500 0.000 1.307 58 Y CB 1.354 39.379 38.460 -0.725 0.000 1.097 58 Y HN 0.365 nan 8.280 nan 0.000 0.530 59 S N 6.527 122.205 115.700 -0.037 0.000 2.399 59 S HA 0.530 5.000 4.470 0.000 0.000 0.301 59 S C -0.747 173.878 174.600 0.042 0.000 1.093 59 S CA -0.556 57.648 58.200 0.006 0.000 1.077 59 S CB -0.275 62.913 63.200 -0.020 0.000 0.980 59 S HN 0.555 nan 8.310 nan 0.000 0.494 60 L N 1.308 122.506 121.223 -0.041 0.000 2.330 60 L HA 0.756 5.096 4.340 0.000 0.000 0.271 60 L C -0.134 176.648 176.870 -0.147 0.000 1.013 60 L CA -0.760 53.982 54.840 -0.162 0.000 0.816 60 L CB 0.899 42.523 42.059 -0.726 0.000 1.287 60 L HN 0.286 nan 8.230 nan 0.000 0.435 61 R N 1.739 122.194 120.500 -0.075 0.000 2.388 61 R HA 0.333 4.673 4.340 0.000 0.000 0.314 61 R C -1.716 174.620 176.300 0.061 0.000 0.959 61 R CA -0.439 55.680 56.100 0.031 0.000 0.851 61 R CB 0.951 31.297 30.300 0.076 0.000 1.168 61 R HN 0.827 nan 8.270 nan 0.000 0.472 62 W N 4.960 126.354 121.300 0.157 0.000 2.210 62 W HA 0.116 4.776 4.660 0.000 0.000 0.330 62 W C 1.694 178.296 176.519 0.138 0.000 1.334 62 W CA -0.307 57.149 57.345 0.184 0.000 1.227 62 W CB 0.501 30.062 29.460 0.169 0.000 1.178 62 W HN 0.598 nan 8.180 nan 0.000 0.560 63 I N -0.226 120.558 120.570 0.356 0.000 4.139 63 I HA 0.260 4.431 4.170 0.000 0.000 0.320 63 I C 0.794 177.041 176.117 0.216 0.000 1.290 63 I CA -0.033 61.389 61.300 0.204 0.000 1.253 63 I CB 0.026 38.070 38.000 0.075 0.000 1.122 63 I HN 0.267 nan 8.210 nan 0.000 0.421 64 S N -0.172 115.711 115.700 0.305 0.000 2.903 64 S HA 0.361 4.831 4.470 0.000 0.000 0.314 64 S C -0.007 174.761 174.600 0.280 0.000 1.177 64 S CA -0.077 58.285 58.200 0.270 0.000 0.859 64 S CB 1.672 65.047 63.200 0.292 0.000 1.265 64 S HN 0.112 nan 8.310 nan 0.000 0.584 65 D N -1.329 119.178 120.400 0.177 0.000 2.360 65 D HA 0.240 4.880 4.640 0.000 0.000 0.210 65 D C 0.951 177.224 176.300 -0.046 0.000 1.047 65 D CA 0.724 54.699 54.000 -0.043 0.000 0.854 65 D CB 0.036 40.712 40.800 -0.207 0.000 0.936 65 D HN 0.623 nan 8.370 nan 0.000 0.514 66 H N -1.250 118.023 119.070 0.338 0.000 2.788 66 H HA 0.417 4.973 4.556 0.000 0.000 0.262 66 H C 0.020 175.505 175.328 0.262 0.000 0.968 66 H CA 0.079 56.322 56.048 0.326 0.000 1.218 66 H CB 0.640 30.525 29.762 0.205 0.000 1.443 66 H HN 0.029 nan 8.280 nan 0.000 0.478 67 E N 0.053 120.506 120.200 0.422 0.000 2.393 67 E HA 0.454 4.804 4.350 0.000 0.000 0.265 67 E C -1.449 175.317 176.600 0.277 0.000 0.941 67 E CA -1.250 55.282 56.400 0.220 0.000 0.801 67 E CB 2.510 32.272 29.700 0.104 0.000 1.313 67 E HN 0.202 nan 8.360 nan 0.000 0.435 68 Y N -1.681 118.599 120.300 -0.035 0.000 2.581 68 Y HA 0.555 5.105 4.550 0.000 0.000 0.337 68 Y C -1.917 173.923 175.900 -0.100 0.000 1.108 68 Y CA -1.419 56.551 58.100 -0.216 0.000 1.033 68 Y CB 0.697 38.639 38.460 -0.863 0.000 1.318 68 Y HN 0.350 nan 8.280 nan 0.000 0.459 69 L N 3.265 124.569 121.223 0.134 0.000 2.307 69 L HA 0.383 4.723 4.340 0.000 0.000 0.282 69 L C -1.220 175.795 176.870 0.241 0.000 1.051 69 L CA -0.955 53.941 54.840 0.092 0.000 0.804 69 L CB 1.132 43.147 42.059 -0.074 0.000 1.197 69 L HN 0.726 nan 8.230 nan 0.000 0.431 70 Y N 3.798 124.139 120.300 0.068 0.000 2.575 70 Y HA 0.248 4.798 4.550 0.000 0.000 0.326 70 Y C -0.011 175.831 175.900 -0.098 0.000 0.979 70 Y CA -1.544 56.517 58.100 -0.065 0.000 1.286 70 Y CB 0.604 38.963 38.460 -0.169 0.000 1.093 70 Y HN 0.388 nan 8.280 nan 0.000 0.501 71 K N 5.782 125.965 120.400 -0.363 0.000 1.925 71 K HA -0.059 4.261 4.320 0.000 0.000 0.216 71 K C 0.488 176.703 176.600 -0.642 0.000 1.159 71 K CA 0.422 56.465 56.287 -0.406 0.000 1.219 71 K CB -0.219 32.110 32.500 -0.284 0.000 1.143 71 K HN 0.847 nan 8.250 nan 0.000 0.258 72 Q N 0.953 120.401 119.800 -0.588 0.000 3.055 72 Q HA -0.102 4.239 4.340 0.000 0.000 0.190 72 Q C 1.436 177.240 176.000 -0.328 0.000 1.173 72 Q CA 0.213 55.700 55.803 -0.527 0.000 1.266 72 Q CB 0.426 29.027 28.738 -0.229 0.000 1.338 72 Q HN 0.395 nan 8.270 nan 0.000 0.707 73 E N 0.084 120.158 120.200 -0.211 0.000 2.051 73 E HA -0.144 4.206 4.350 0.000 0.000 0.189 73 E C 1.152 177.694 176.600 -0.097 0.000 0.979 73 E CA 1.106 57.425 56.400 -0.136 0.000 0.803 73 E CB 0.111 29.758 29.700 -0.090 0.000 0.761 73 E HN 0.428 nan 8.360 nan 0.000 0.451 74 N N 1.129 119.781 118.700 -0.080 0.000 2.272 74 N HA -0.040 4.700 4.740 0.000 0.000 0.195 74 N C 0.699 176.169 175.510 -0.066 0.000 1.048 74 N CA 0.607 53.625 53.050 -0.054 0.000 0.912 74 N CB -0.153 38.311 38.487 -0.038 0.000 1.096 74 N HN 0.262 nan 8.380 nan 0.000 0.471 75 N N 0.648 119.307 118.700 -0.069 0.000 2.483 75 N HA 0.264 5.004 4.740 0.000 0.000 0.285 75 N C -0.650 174.806 175.510 -0.090 0.000 1.210 75 N CA -0.395 52.611 53.050 -0.073 0.000 0.931 75 N CB 1.402 39.862 38.487 -0.045 0.000 1.220 75 N HN 0.056 nan 8.380 nan 0.000 0.542 76 I N 0.953 121.477 120.570 -0.077 0.000 2.312 76 I HA 0.220 4.390 4.170 0.000 0.000 0.291 76 I C 0.062 176.224 176.117 0.075 0.000 1.031 76 I CA -0.561 60.711 61.300 -0.048 0.000 1.293 76 I CB 0.571 38.524 38.000 -0.079 0.000 1.403 76 I HN 0.228 nan 8.210 nan 0.000 0.484 77 L N 6.637 127.930 121.223 0.118 0.000 2.358 77 L HA 0.614 4.954 4.340 0.000 0.000 0.268 77 L C -0.279 176.712 176.870 0.201 0.000 1.032 77 L CA -0.963 53.970 54.840 0.154 0.000 0.805 77 L CB 2.042 44.208 42.059 0.177 0.000 1.253 77 L HN 0.292 nan 8.230 nan 0.000 0.452 78 V N 1.385 121.349 119.914 0.083 0.000 2.495 78 V HA 0.516 4.637 4.120 0.000 0.000 0.298 78 V C -1.007 175.015 176.094 -0.120 0.000 1.031 78 V CA -0.285 62.037 62.300 0.036 0.000 0.871 78 V CB 1.611 33.459 31.823 0.041 0.000 0.988 78 V HN 0.456 nan 8.190 nan 0.000 0.432 79 F N 4.978 124.621 119.950 -0.511 0.000 2.522 79 F HA 0.496 5.024 4.527 0.000 0.000 0.324 79 F C 0.509 175.996 175.800 -0.522 0.000 1.077 79 F CA -0.635 56.999 58.000 -0.610 0.000 0.944 79 F CB 1.792 40.149 39.000 -1.072 0.000 1.175 79 F HN 0.480 nan 8.300 nan 0.000 0.468 80 N N 2.280 120.896 118.700 -0.141 0.000 2.589 80 N HA 0.205 4.945 4.740 0.000 0.000 0.232 80 N C 0.667 176.110 175.510 -0.112 0.000 1.015 80 N CA 0.131 53.136 53.050 -0.075 0.000 0.931 80 N CB 1.514 40.012 38.487 0.019 0.000 1.150 80 N HN 0.862 nan 8.380 nan 0.000 0.512 81 A N 3.601 126.317 122.820 -0.173 0.000 1.929 81 A HA -0.291 4.029 4.320 0.000 0.000 0.221 81 A C 1.889 179.196 177.584 -0.462 0.000 1.211 81 A CA 1.994 53.821 52.037 -0.350 0.000 0.657 81 A CB -0.513 18.036 19.000 -0.753 0.000 0.827 81 A HN 0.766 nan 8.150 nan 0.000 0.462 82 E N -0.952 118.982 120.200 -0.443 0.000 1.987 82 E HA -0.131 4.220 4.350 0.000 0.000 0.200 82 E C 1.813 178.276 176.600 -0.229 0.000 0.990 82 E CA 1.785 57.992 56.400 -0.322 0.000 0.859 82 E CB -0.663 28.749 29.700 -0.479 0.000 0.805 82 E HN 0.605 nan 8.360 nan 0.000 0.499 83 Y N -0.952 119.352 120.300 0.007 0.000 2.070 83 Y HA 0.026 4.577 4.550 0.000 0.000 0.280 83 Y C 2.034 177.926 175.900 -0.014 0.000 1.148 83 Y CA 1.531 59.631 58.100 -0.001 0.000 1.125 83 Y CB -0.656 37.799 38.460 -0.008 0.000 0.975 83 Y HN 0.424 nan 8.280 nan 0.000 0.492 84 G N -0.876 108.004 108.800 0.132 0.000 2.198 84 G HA2 -0.214 3.746 3.960 0.000 0.000 0.156 84 G HA3 -0.214 3.746 3.960 0.000 0.000 0.156 84 G C -0.434 174.479 174.900 0.023 0.000 1.012 84 G CA -0.229 44.918 45.100 0.079 0.000 0.692 84 G HN 0.472 nan 8.290 nan 0.000 0.492 85 N N 0.719 119.432 118.700 0.020 0.000 2.497 85 N HA 0.510 5.250 4.740 0.000 0.000 0.271 85 N C -0.337 175.054 175.510 -0.199 0.000 1.142 85 N CA 0.518 53.527 53.050 -0.069 0.000 0.965 85 N CB 1.859 40.328 38.487 -0.029 0.000 1.077 85 N HN 0.195 nan 8.380 nan 0.000 0.462 86 S N 0.701 116.205 115.700 -0.326 0.000 2.607 86 S HA 0.621 5.092 4.470 0.000 0.000 0.303 86 S C -0.929 173.485 174.600 -0.310 0.000 1.086 86 S CA -0.618 57.265 58.200 -0.527 0.000 0.995 86 S CB 1.104 63.679 63.200 -1.041 0.000 1.084 86 S HN 0.767 nan 8.310 nan 0.000 0.507 87 S N 1.820 117.362 115.700 -0.264 0.000 2.564 87 S HA 0.656 5.127 4.470 0.000 0.000 0.274 87 S C -1.251 173.298 174.600 -0.084 0.000 1.124 87 S CA -0.607 57.512 58.200 -0.136 0.000 0.869 87 S CB 1.240 64.394 63.200 -0.078 0.000 1.105 87 S HN 0.627 nan 8.310 nan 0.000 0.472 88 V N 4.506 124.390 119.914 -0.050 0.000 2.649 88 V HA 0.342 4.462 4.120 0.000 0.000 0.292 88 V C 0.594 176.717 176.094 0.048 0.000 1.055 88 V CA 0.026 62.323 62.300 -0.005 0.000 1.023 88 V CB 0.982 32.784 31.823 -0.035 0.000 0.992 88 V HN 0.971 nan 8.190 nan 0.000 0.480 89 F N 4.914 124.838 119.950 -0.043 0.000 2.437 89 F HA 0.378 4.905 4.527 0.000 0.000 0.288 89 F C 0.242 176.032 175.800 -0.016 0.000 1.085 89 F CA 0.259 58.245 58.000 -0.023 0.000 1.430 89 F CB 0.688 39.683 39.000 -0.008 0.000 1.120 89 F HN 0.356 nan 8.300 nan 0.000 0.556 90 L N -0.048 121.175 121.223 -0.001 0.000 2.666 90 L HA 0.446 4.786 4.340 0.000 0.000 0.259 90 L C -0.969 175.862 176.870 -0.065 0.000 0.919 90 L CA -0.993 53.794 54.840 -0.088 0.000 0.927 90 L CB 0.453 42.495 42.059 -0.028 0.000 1.423 90 L HN -0.182 nan 8.230 nan 0.000 0.426 91 E N 2.171 122.303 120.200 -0.113 0.000 2.458 91 E HA 0.094 4.444 4.350 0.000 0.000 0.264 91 E C 1.367 177.914 176.600 -0.089 0.000 1.097 91 E CA 0.739 57.080 56.400 -0.099 0.000 0.973 91 E CB 0.723 30.353 29.700 -0.117 0.000 0.963 91 E HN 0.745 nan 8.360 nan 0.000 0.451 92 N N 0.495 119.160 118.700 -0.059 0.000 2.331 92 N HA -0.158 4.582 4.740 0.000 0.000 0.180 92 N C 1.189 176.684 175.510 -0.025 0.000 1.019 92 N CA 1.259 54.294 53.050 -0.026 0.000 0.881 92 N CB -0.234 38.239 38.487 -0.023 0.000 0.972 92 N HN 0.347 nan 8.380 nan 0.000 0.435 93 S N 0.171 115.832 115.700 -0.065 0.000 2.461 93 S HA -0.040 4.430 4.470 0.000 0.000 0.228 93 S C 1.783 176.289 174.600 -0.157 0.000 1.005 93 S CA 0.888 59.043 58.200 -0.075 0.000 0.942 93 S CB -0.868 62.290 63.200 -0.070 0.000 0.776 93 S HN 0.225 nan 8.310 nan 0.000 0.514 94 T N 1.884 116.267 114.554 -0.285 0.000 2.731 94 T HA -0.195 4.156 4.350 0.000 0.000 0.263 94 T C 0.357 174.548 174.700 -0.849 0.000 1.033 94 T CA 1.926 63.641 62.100 -0.642 0.000 1.160 94 T CB -0.589 67.700 68.868 -0.966 0.000 0.849 94 T HN 0.607 nan 8.240 nan 0.000 0.469 95 F N 0.818 120.682 119.950 -0.144 0.000 2.908 95 F HA 0.336 4.863 4.527 0.000 0.000 0.328 95 F C 1.107 176.897 175.800 -0.016 0.000 1.211 95 F CA -1.262 56.649 58.000 -0.148 0.000 1.291 95 F CB 0.106 38.891 39.000 -0.359 0.000 0.962 95 F HN -0.016 nan 8.300 nan 0.000 0.505 96 D N 0.913 121.364 120.400 0.085 0.000 2.096 96 D HA -0.173 4.467 4.640 0.000 0.000 0.200 96 D C 1.168 177.535 176.300 0.111 0.000 0.980 96 D CA 1.372 55.420 54.000 0.081 0.000 0.860 96 D CB -0.237 40.578 40.800 0.025 0.000 1.005 96 D HN 0.405 nan 8.370 nan 0.000 0.449 97 E N 0.206 120.454 120.200 0.080 0.000 2.445 97 E HA -0.100 4.250 4.350 0.000 0.000 0.204 97 E C 1.094 177.760 176.600 0.110 0.000 1.194 97 E CA -0.362 56.075 56.400 0.062 0.000 0.950 97 E CB -0.420 29.299 29.700 0.033 0.000 0.976 97 E HN 0.195 nan 8.360 nan 0.000 0.519 98 F N 0.800 120.750 119.950 0.001 0.000 2.269 98 F HA -0.091 4.436 4.527 0.000 0.000 0.301 98 F C 1.818 177.561 175.800 -0.095 0.000 1.082 98 F CA 1.696 59.692 58.000 -0.007 0.000 1.360 98 F CB -0.062 38.936 39.000 -0.004 0.000 1.041 98 F HN 0.192 nan 8.300 nan 0.000 0.512 99 G N -1.258 107.441 108.800 -0.169 0.000 2.217 99 G HA2 -0.237 3.723 3.960 0.000 0.000 0.246 99 G HA3 -0.237 3.723 3.960 0.000 0.000 0.246 99 G C 0.301 174.835 174.900 -0.609 0.000 0.990 99 G CA 0.322 45.174 45.100 -0.413 0.000 0.627 99 G HN 0.553 nan 8.290 nan 0.000 0.522 100 H N -0.334 118.589 119.070 -0.245 0.000 2.865 100 H HA 0.658 5.214 4.556 0.000 0.000 0.372 100 H C -0.617 174.753 175.328 0.071 0.000 1.173 100 H CA 0.089 56.055 56.048 -0.136 0.000 1.147 100 H CB 1.694 31.197 29.762 -0.432 0.000 1.805 100 H HN 0.173 nan 8.280 nan 0.000 0.553 101 S N 1.994 117.815 115.700 0.202 0.000 2.430 101 S HA 0.349 4.819 4.470 0.000 0.000 0.289 101 S C 0.038 174.700 174.600 0.104 0.000 1.143 101 S CA -0.725 57.551 58.200 0.127 0.000 1.067 101 S CB -0.687 62.567 63.200 0.090 0.000 0.964 101 S HN 0.356 nan 8.310 nan 0.000 0.485 102 I N 5.743 126.314 120.570 0.001 0.000 2.395 102 I HA 0.248 4.418 4.170 0.000 0.000 0.289 102 I C 1.290 177.331 176.117 -0.127 0.000 1.023 102 I CA -0.510 60.696 61.300 -0.155 0.000 1.350 102 I CB 0.874 38.559 38.000 -0.524 0.000 1.409 102 I HN 0.746 nan 8.210 nan 0.000 0.507 103 N N 3.230 121.851 118.700 -0.131 0.000 2.220 103 N HA 0.104 4.844 4.740 0.000 0.000 0.195 103 N C -0.396 175.064 175.510 -0.084 0.000 1.123 103 N CA 0.026 53.011 53.050 -0.108 0.000 0.874 103 N CB 0.778 39.162 38.487 -0.173 0.000 0.995 103 N HN 0.640 nan 8.380 nan 0.000 0.498 104 D N -1.011 119.309 120.400 -0.132 0.000 2.663 104 D HA 0.384 5.025 4.640 0.000 0.000 0.233 104 D C -2.015 174.264 176.300 -0.035 0.000 1.240 104 D CA -0.408 53.616 54.000 0.040 0.000 0.774 104 D CB 1.106 41.931 40.800 0.042 0.000 1.443 104 D HN -0.063 nan 8.370 nan 0.000 0.441 105 Y N 0.134 120.455 120.300 0.035 0.000 2.442 105 Y HA 0.587 5.137 4.550 0.000 0.000 0.344 105 Y C -0.123 175.870 175.900 0.154 0.000 0.976 105 Y CA -1.120 57.025 58.100 0.075 0.000 1.040 105 Y CB 2.451 40.949 38.460 0.062 0.000 1.228 105 Y HN 0.177 nan 8.280 nan 0.000 0.451 106 S N 4.179 120.113 115.700 0.389 0.000 2.542 106 S HA 0.542 5.013 4.470 0.000 0.000 0.245 106 S C -0.818 174.129 174.600 0.579 0.000 1.325 106 S CA -0.500 57.959 58.200 0.431 0.000 1.176 106 S CB -0.500 62.943 63.200 0.406 0.000 1.045 106 S HN 0.587 nan 8.310 nan 0.000 0.481 107 I N 4.754 125.520 120.570 0.326 0.000 2.517 107 I HA 0.119 4.289 4.170 0.000 0.000 0.285 107 I C 1.151 177.170 176.117 -0.163 0.000 1.106 107 I CA -0.253 61.143 61.300 0.160 0.000 1.402 107 I CB 0.856 38.869 38.000 0.022 0.000 1.399 107 I HN 0.707 nan 8.210 nan 0.000 0.535 108 S N 8.469 123.728 115.700 -0.736 0.000 2.559 108 S HA 0.085 4.555 4.470 0.000 0.000 0.282 108 S C -1.268 173.026 174.600 -0.509 0.000 1.336 108 S CA -0.952 56.397 58.200 -1.418 0.000 1.037 108 S CB 0.361 62.435 63.200 -1.876 0.000 0.853 108 S HN 0.579 nan 8.310 nan 0.000 0.523 109 P HA -0.015 nan 4.420 nan 0.000 0.236 109 P C 0.316 177.553 177.300 -0.105 0.000 1.172 109 P CA 0.642 63.662 63.100 -0.132 0.000 0.759 109 P CB 0.096 31.750 31.700 -0.078 0.000 0.843 110 D N -0.093 120.214 120.400 -0.155 0.000 2.197 110 D HA 0.040 4.680 4.640 0.000 0.000 0.212 110 D C 1.857 178.128 176.300 -0.048 0.000 0.963 110 D CA 1.790 55.748 54.000 -0.070 0.000 0.864 110 D CB -0.121 40.670 40.800 -0.014 0.000 1.009 110 D HN 0.197 nan 8.370 nan 0.000 0.479 111 G N 0.374 109.136 108.800 -0.064 0.000 2.194 111 G HA2 -0.307 3.653 3.960 0.000 0.000 0.236 111 G HA3 -0.307 3.653 3.960 0.000 0.000 0.236 111 G C 1.120 176.029 174.900 0.016 0.000 0.987 111 G CA 0.598 45.734 45.100 0.060 0.000 0.635 111 G HN 0.391 nan 8.290 nan 0.000 0.520 112 Q N -1.004 118.693 119.800 -0.172 0.000 2.096 112 Q HA 0.269 4.609 4.340 0.000 0.000 0.197 112 Q C 0.551 176.186 176.000 -0.607 0.000 0.964 112 Q CA 0.881 56.404 55.803 -0.467 0.000 0.838 112 Q CB 0.195 28.483 28.738 -0.750 0.000 0.906 112 Q HN 0.544 nan 8.270 nan 0.000 0.444 113 F N -0.203 119.725 119.950 -0.036 0.000 2.523 113 F HA 0.517 5.045 4.527 0.000 0.000 0.329 113 F C -0.086 175.833 175.800 0.198 0.000 1.061 113 F CA -1.079 56.971 58.000 0.082 0.000 0.967 113 F CB 1.300 40.385 39.000 0.142 0.000 1.218 113 F HN -0.185 nan 8.300 nan 0.000 0.480 114 I N 2.692 123.633 120.570 0.618 0.000 2.533 114 I HA 0.292 4.462 4.170 0.000 0.000 0.290 114 I C -1.475 175.001 176.117 0.600 0.000 1.056 114 I CA -0.970 60.686 61.300 0.594 0.000 1.057 114 I CB 2.166 40.516 38.000 0.583 0.000 1.240 114 I HN 0.269 nan 8.210 nan 0.000 0.423 115 L N 7.416 129.000 121.223 0.601 0.000 2.264 115 L HA 0.482 4.822 4.340 0.000 0.000 0.289 115 L C -0.880 176.102 176.870 0.188 0.000 1.044 115 L CA -0.065 54.989 54.840 0.357 0.000 0.807 115 L CB 0.864 43.049 42.059 0.209 0.000 1.192 115 L HN 0.425 nan 8.230 nan 0.000 0.425 116 L N 5.242 126.495 121.223 0.049 0.000 2.265 116 L HA 0.464 4.804 4.340 0.000 0.000 0.289 116 L C -0.024 176.804 176.870 -0.070 0.000 1.033 116 L CA -0.343 54.368 54.840 -0.215 0.000 0.814 116 L CB 1.400 43.122 42.059 -0.561 0.000 1.203 116 L HN 0.633 nan 8.230 nan 0.000 0.423 117 E N 4.493 124.576 120.200 -0.196 0.000 2.133 117 E HA 0.431 4.781 4.350 0.000 0.000 0.274 117 E C -1.577 174.917 176.600 -0.177 0.000 0.930 117 E CA -0.503 55.654 56.400 -0.405 0.000 0.770 117 E CB 1.094 30.593 29.700 -0.334 0.000 1.104 117 E HN 0.442 nan 8.360 nan 0.000 0.403 118 Y N 1.632 121.703 120.300 -0.382 0.000 2.818 118 Y HA 0.456 5.006 4.550 0.000 0.000 0.322 118 Y C -0.003 175.787 175.900 -0.184 0.000 1.323 118 Y CA -1.702 56.276 58.100 -0.205 0.000 1.090 118 Y CB 0.381 38.782 38.460 -0.100 0.000 1.328 118 Y HN 0.511 nan 8.280 nan 0.000 0.482 119 N N -0.420 118.249 118.700 -0.052 0.000 2.735 119 N HA -0.297 4.443 4.740 0.000 0.000 0.248 119 N C -1.047 174.399 175.510 -0.106 0.000 1.083 119 N CA 0.971 53.947 53.050 -0.123 0.000 0.703 119 N CB -1.393 36.898 38.487 -0.328 0.000 1.005 119 N HN 0.841 nan 8.380 nan 0.000 0.550 120 Y N 0.433 120.636 120.300 -0.161 0.000 2.650 120 Y HA 0.240 4.791 4.550 0.000 0.000 0.331 120 Y C 0.094 175.933 175.900 -0.102 0.000 1.165 120 Y CA 0.084 58.082 58.100 -0.170 0.000 1.473 120 Y CB 0.616 38.931 38.460 -0.242 0.000 1.224 120 Y HN -0.019 nan 8.280 nan 0.000 0.533 121 V N 8.150 127.754 119.914 -0.517 0.000 2.380 121 V HA 0.191 4.311 4.120 0.000 0.000 0.286 121 V C -0.160 175.642 176.094 -0.486 0.000 1.015 121 V CA -1.404 60.685 62.300 -0.351 0.000 0.834 121 V CB 1.182 32.891 31.823 -0.189 0.000 1.009 121 V HN 0.711 nan 8.190 nan 0.000 0.428 122 K N 3.816 123.986 120.400 -0.382 0.000 2.436 122 K HA 0.174 4.495 4.320 0.000 0.000 0.275 122 K C 0.335 176.827 176.600 -0.180 0.000 0.999 122 K CA 0.318 56.481 56.287 -0.207 0.000 0.980 122 K CB 1.117 33.654 32.500 0.060 0.000 0.919 122 K HN 0.828 nan 8.250 nan 0.000 0.484 123 Q N 2.927 122.604 119.800 -0.205 0.000 2.489 123 Q HA 0.180 4.520 4.340 0.000 0.000 0.202 123 Q C 0.033 175.902 176.000 -0.219 0.000 0.853 123 Q CA -0.499 55.017 55.803 -0.477 0.000 0.539 123 Q CB 0.146 28.403 28.738 -0.802 0.000 3.308 123 Q HN 0.739 nan 8.270 nan 0.000 0.362 124 W N 0.567 121.873 121.300 0.010 0.000 1.707 124 W HA 0.327 4.987 4.660 0.000 0.000 0.601 124 W C 1.909 178.430 176.519 0.003 0.000 1.890 124 W CA -0.604 56.775 57.345 0.056 0.000 2.128 124 W CB -0.125 29.315 29.460 -0.033 0.000 2.771 124 W HN 0.339 nan 8.180 nan 0.000 0.796 125 R N -0.691 119.918 120.500 0.182 0.000 2.115 125 R HA -0.113 4.227 4.340 0.000 0.000 0.226 125 R C 1.678 177.835 176.300 -0.238 0.000 1.100 125 R CA 1.568 57.603 56.100 -0.108 0.000 0.980 125 R CB -0.286 29.795 30.300 -0.364 0.000 0.875 125 R HN 0.503 nan 8.270 nan 0.000 0.445 126 H N -1.272 117.880 119.070 0.136 0.000 2.800 126 H HA 0.156 4.712 4.556 0.000 0.000 0.257 126 H C 0.753 176.182 175.328 0.169 0.000 0.967 126 H CA 0.465 56.616 56.048 0.173 0.000 1.192 126 H CB 0.199 30.035 29.762 0.124 0.000 1.441 126 H HN 0.136 nan 8.280 nan 0.000 0.461 127 S N 1.311 117.022 115.700 0.018 0.000 2.589 127 S HA 0.312 4.782 4.470 0.000 0.000 0.265 127 S C -0.228 174.273 174.600 -0.165 0.000 1.342 127 S CA -0.281 57.639 58.200 -0.466 0.000 1.005 127 S CB 0.606 62.980 63.200 -1.376 0.000 0.909 127 S HN 0.491 nan 8.310 nan 0.000 0.555 128 Y N -3.028 117.113 120.300 -0.265 0.000 2.879 128 Y HA 0.513 5.063 4.550 0.000 0.000 0.385 128 Y C -1.062 174.783 175.900 -0.092 0.000 1.153 128 Y CA -0.817 57.120 58.100 -0.271 0.000 1.245 128 Y CB 0.183 38.387 38.460 -0.427 0.000 1.472 128 Y HN 0.992 nan 8.280 nan 0.000 0.490 129 T N 0.307 114.907 114.554 0.075 0.000 2.908 129 T HA 1.044 5.394 4.350 0.000 0.000 0.290 129 T C -0.445 174.305 174.700 0.083 0.000 1.034 129 T CA -0.063 62.093 62.100 0.093 0.000 1.010 129 T CB 1.804 70.675 68.868 0.006 0.000 1.068 129 T HN 2.004 nan 8.240 nan 0.000 0.481 130 A N 1.234 124.101 122.820 0.079 0.000 2.536 130 A HA 0.810 5.130 4.320 0.000 0.000 0.293 130 A C -0.693 176.706 177.584 -0.308 0.000 1.119 130 A CA -1.001 50.945 52.037 -0.153 0.000 0.654 130 A CB 1.056 19.949 19.000 -0.178 0.000 1.291 130 A HN 0.857 nan 8.150 nan 0.000 0.439 131 S N -0.605 114.654 115.700 -0.736 0.000 2.549 131 S HA 0.792 5.262 4.470 0.000 0.000 0.297 131 S C -1.580 172.406 174.600 -1.024 0.000 1.115 131 S CA -0.080 57.600 58.200 -0.866 0.000 1.059 131 S CB 0.684 63.089 63.200 -1.326 0.000 1.046 131 S HN 0.433 nan 8.310 nan 0.000 0.506 132 Y N 0.353 120.443 120.300 -0.350 0.000 2.512 132 Y HA 0.540 5.090 4.550 0.000 0.000 0.348 132 Y C -0.243 175.707 175.900 0.084 0.000 0.990 132 Y CA -1.016 57.033 58.100 -0.083 0.000 1.033 132 Y CB 1.622 39.962 38.460 -0.200 0.000 1.259 132 Y HN 0.475 nan 8.280 nan 0.000 0.461 133 D N 1.931 122.527 120.400 0.326 0.000 2.671 133 D HA 0.519 5.159 4.640 0.000 0.000 0.232 133 D C -0.958 175.449 176.300 0.177 0.000 1.114 133 D CA -0.359 53.794 54.000 0.255 0.000 0.858 133 D CB 2.594 43.624 40.800 0.383 0.000 1.544 133 D HN 0.399 nan 8.370 nan 0.000 0.471 134 I N 2.200 122.874 120.570 0.173 0.000 2.330 134 I HA 0.184 4.354 4.170 0.000 0.000 0.289 134 I C -0.796 175.526 176.117 0.342 0.000 1.001 134 I CA -0.906 60.532 61.300 0.230 0.000 1.193 134 I CB 1.017 39.087 38.000 0.116 0.000 1.345 134 I HN 0.212 nan 8.210 nan 0.000 0.461 135 Y N 6.270 126.740 120.300 0.282 0.000 2.326 135 Y HA 0.236 4.786 4.550 0.000 0.000 0.337 135 Y C 0.080 176.205 175.900 0.374 0.000 1.023 135 Y CA -0.620 57.673 58.100 0.322 0.000 1.143 135 Y CB 0.822 39.525 38.460 0.406 0.000 1.183 135 Y HN 0.481 nan 8.280 nan 0.000 0.485 136 D N 6.144 126.467 120.400 -0.128 0.000 2.295 136 D HA 0.096 4.736 4.640 0.000 0.000 0.248 136 D C 0.471 176.496 176.300 -0.458 0.000 1.154 136 D CA 0.123 54.059 54.000 -0.107 0.000 0.857 136 D CB 1.070 41.848 40.800 -0.035 0.000 1.117 136 D HN 0.853 nan 8.370 nan 0.000 0.468 137 L N 3.527 124.561 121.223 -0.314 0.000 2.418 137 L HA -0.026 4.314 4.340 0.000 0.000 0.218 137 L C 1.876 178.591 176.870 -0.259 0.000 1.125 137 L CA 0.013 54.705 54.840 -0.247 0.000 0.835 137 L CB -0.203 41.770 42.059 -0.143 0.000 0.953 137 L HN 0.331 nan 8.230 nan 0.000 0.454 138 N N 1.508 120.031 118.700 -0.295 0.000 2.143 138 N HA -0.150 4.590 4.740 0.000 0.000 0.190 138 N C 1.686 177.088 175.510 -0.180 0.000 1.058 138 N CA 1.375 54.290 53.050 -0.224 0.000 0.860 138 N CB -0.397 37.949 38.487 -0.235 0.000 1.044 138 N HN 0.327 nan 8.380 nan 0.000 0.445 139 K N 1.292 121.591 120.400 -0.168 0.000 2.442 139 K HA 0.040 4.360 4.320 0.000 0.000 0.198 139 K C -0.033 176.472 176.600 -0.159 0.000 1.042 139 K CA 0.642 56.853 56.287 -0.127 0.000 0.958 139 K CB 0.117 32.564 32.500 -0.088 0.000 0.766 139 K HN 0.096 nan 8.250 nan 0.000 0.474 140 R N -0.343 119.997 120.500 -0.267 0.000 3.951 140 R HA -0.155 4.185 4.340 0.000 0.000 0.352 140 R C -0.485 175.567 176.300 -0.412 0.000 1.178 140 R CA 1.029 56.911 56.100 -0.363 0.000 0.949 140 R CB -1.910 28.316 30.300 -0.124 0.000 1.452 140 R HN 0.403 nan 8.270 nan 0.000 0.540 141 Q N 0.240 119.834 119.800 -0.344 0.000 2.194 141 Q HA 0.619 4.959 4.340 0.000 0.000 0.245 141 Q C -0.258 175.680 176.000 -0.104 0.000 0.993 141 Q CA -0.509 55.218 55.803 -0.126 0.000 0.930 141 Q CB 1.011 29.730 28.738 -0.033 0.000 1.238 141 Q HN 0.234 nan 8.270 nan 0.000 0.486 142 L N 2.140 123.457 121.223 0.157 0.000 2.265 142 L HA 0.365 4.705 4.340 0.000 0.000 0.289 142 L C -0.631 176.338 176.870 0.164 0.000 1.033 142 L CA -0.914 54.092 54.840 0.277 0.000 0.814 142 L CB 0.822 43.118 42.059 0.394 0.000 1.203 142 L HN 0.567 nan 8.230 nan 0.000 0.423 143 I N 2.796 123.452 120.570 0.144 0.000 2.919 143 I HA -0.144 4.026 4.170 0.000 0.000 0.303 143 I C 1.517 177.676 176.117 0.070 0.000 1.221 143 I CA 0.973 62.323 61.300 0.084 0.000 1.444 143 I CB 0.759 38.789 38.000 0.050 0.000 1.331 143 I HN 0.707 nan 8.210 nan 0.000 0.572 144 T N 0.944 115.522 114.554 0.040 0.000 2.975 144 T HA 0.192 4.542 4.350 0.000 0.000 0.261 144 T C 0.328 175.026 174.700 -0.004 0.000 0.984 144 T CA -0.435 61.681 62.100 0.026 0.000 0.911 144 T CB 0.045 68.931 68.868 0.031 0.000 1.127 144 T HN 0.579 nan 8.240 nan 0.000 0.514 145 E N 1.803 121.995 120.200 -0.014 0.000 2.248 145 E HA 0.275 4.625 4.350 0.000 0.000 0.272 145 E C -0.443 176.124 176.600 -0.055 0.000 1.008 145 E CA -0.544 55.838 56.400 -0.030 0.000 0.856 145 E CB 0.795 30.482 29.700 -0.022 0.000 1.120 145 E HN 0.142 nan 8.360 nan 0.000 0.397 146 E N 0.402 120.562 120.200 -0.068 0.000 2.494 146 E HA -0.258 4.092 4.350 0.000 0.000 0.249 146 E C -0.394 176.130 176.600 -0.127 0.000 1.184 146 E CA 0.896 57.239 56.400 -0.094 0.000 0.727 146 E CB -1.729 27.919 29.700 -0.087 0.000 1.281 146 E HN 0.603 nan 8.360 nan 0.000 0.405 147 R N 0.020 120.446 120.500 -0.124 0.000 2.817 147 R HA 0.255 4.595 4.340 0.000 0.000 0.264 147 R C 1.154 177.300 176.300 -0.257 0.000 1.009 147 R CA -0.042 55.969 56.100 -0.149 0.000 1.133 147 R CB 0.292 30.530 30.300 -0.103 0.000 1.013 147 R HN 0.071 nan 8.270 nan 0.000 0.453 148 I N 2.504 122.884 120.570 -0.315 0.000 2.533 148 I HA 0.081 4.251 4.170 0.000 0.000 0.284 148 I C -1.725 174.091 176.117 -0.501 0.000 1.109 148 I CA -1.966 59.002 61.300 -0.553 0.000 1.412 148 I CB 0.624 38.260 38.000 -0.608 0.000 1.396 148 I HN 0.313 nan 8.210 nan 0.000 0.543 149 P HA -0.028 nan 4.420 nan 0.000 0.264 149 P C -0.475 176.610 177.300 -0.359 0.000 1.179 149 P CA 0.104 62.787 63.100 -0.694 0.000 0.763 149 P CB 0.310 31.155 31.700 -1.424 0.000 0.806 150 N N 2.699 121.278 118.700 -0.202 0.000 2.326 150 N HA 0.008 4.748 4.740 0.000 0.000 0.239 150 N C 0.615 176.195 175.510 0.117 0.000 1.301 150 N CA 0.244 53.248 53.050 -0.076 0.000 0.909 150 N CB -0.182 38.272 38.487 -0.055 0.000 1.156 150 N HN 0.420 nan 8.380 nan 0.000 0.462 151 N N -0.784 117.960 118.700 0.073 0.000 2.725 151 N HA -0.156 4.584 4.740 0.000 0.000 0.249 151 N C -0.868 174.780 175.510 0.231 0.000 1.103 151 N CA 0.732 53.860 53.050 0.129 0.000 0.707 151 N CB -1.479 37.097 38.487 0.148 0.000 1.043 151 N HN 0.473 nan 8.380 nan 0.000 0.553 152 T N 0.847 115.535 114.554 0.224 0.000 2.870 152 T HA 0.077 4.428 4.350 0.000 0.000 0.300 152 T C 1.724 176.550 174.700 0.210 0.000 0.989 152 T CA 0.083 62.327 62.100 0.241 0.000 1.139 152 T CB 1.207 70.117 68.868 0.069 0.000 0.920 152 T HN 0.175 nan 8.240 nan 0.000 0.537 153 Q N 1.859 121.779 119.800 0.200 0.000 2.212 153 Q HA 0.117 4.458 4.340 0.000 0.000 0.199 153 Q C 0.285 176.435 176.000 0.251 0.000 0.950 153 Q CA 0.563 56.504 55.803 0.229 0.000 0.863 153 Q CB 0.652 29.501 28.738 0.185 0.000 0.944 153 Q HN 0.729 nan 8.270 nan 0.000 0.465 154 W N -0.318 120.943 121.300 -0.066 0.000 3.363 154 W HA 0.478 5.138 4.660 0.000 0.000 0.306 154 W C -2.322 174.119 176.519 -0.130 0.000 1.253 154 W CA -0.600 56.666 57.345 -0.131 0.000 1.195 154 W CB 1.291 30.610 29.460 -0.235 0.000 1.366 154 W HN -0.344 nan 8.180 nan 0.000 0.551 155 V N 3.155 122.259 119.914 -1.350 0.000 2.932 155 V HA 0.653 4.773 4.120 0.000 0.000 0.307 155 V C -0.612 174.801 176.094 -1.135 0.000 1.147 155 V CA -0.570 61.104 62.300 -1.042 0.000 0.951 155 V CB 1.939 33.077 31.823 -1.142 0.000 1.031 155 V HN 0.506 nan 8.190 nan 0.000 0.426 156 T N 2.911 117.140 114.554 -0.541 0.000 3.193 156 T HA 0.476 4.826 4.350 0.000 0.000 0.332 156 T C -1.343 173.402 174.700 0.076 0.000 1.208 156 T CA -0.308 61.682 62.100 -0.182 0.000 1.080 156 T CB 0.672 69.663 68.868 0.205 0.000 1.180 156 T HN 0.507 nan 8.240 nan 0.000 0.469 157 W N 3.257 124.596 121.300 0.066 0.000 2.079 157 W HA 0.429 5.089 4.660 0.000 0.000 0.354 157 W C 1.393 177.790 176.519 -0.203 0.000 1.302 157 W CA -0.504 56.832 57.345 -0.016 0.000 1.281 157 W CB 0.564 30.019 29.460 -0.008 0.000 1.165 157 W HN 0.804 nan 8.180 nan 0.000 0.603 158 S N 0.845 116.336 115.700 -0.348 0.000 2.634 158 S HA 0.216 4.686 4.470 0.000 0.000 0.261 158 S C -1.899 172.457 174.600 -0.407 0.000 1.271 158 S CA -1.013 56.438 58.200 -1.249 0.000 0.985 158 S CB 0.754 63.054 63.200 -1.500 0.000 0.968 158 S HN 0.274 nan 8.310 nan 0.000 0.568 159 P HA 0.071 nan 4.420 nan 0.000 0.237 159 P C 0.930 178.184 177.300 -0.076 0.000 1.178 159 P CA 0.458 63.521 63.100 -0.062 0.000 0.766 159 P CB -0.069 31.639 31.700 0.014 0.000 0.876 160 V N -6.222 113.598 119.914 -0.156 0.000 3.415 160 V HA 0.429 4.549 4.120 0.000 0.000 0.204 160 V C 1.557 177.558 176.094 -0.154 0.000 1.365 160 V CA 0.645 62.873 62.300 -0.121 0.000 1.310 160 V CB -1.015 30.748 31.823 -0.100 0.000 1.231 160 V HN 0.016 nan 8.190 nan 0.000 0.538 161 G N 1.697 110.358 108.800 -0.231 0.000 3.048 161 G HA2 0.222 4.183 3.960 0.000 0.000 0.151 161 G HA3 0.222 4.183 3.960 0.000 0.000 0.151 161 G C 0.687 175.453 174.900 -0.224 0.000 1.803 161 G CA 0.694 45.612 45.100 -0.303 0.000 1.047 161 G HN 0.933 nan 8.290 nan 0.000 0.513 162 H N -0.811 118.265 119.070 0.010 0.000 2.777 162 H HA 0.414 4.971 4.556 0.000 0.000 0.244 162 H C -0.045 175.445 175.328 0.270 0.000 1.185 162 H CA -0.465 55.653 56.048 0.116 0.000 0.945 162 H CB -0.024 29.905 29.762 0.278 0.000 1.994 162 H HN 0.160 nan 8.280 nan 0.000 0.638 163 K N 1.554 122.006 120.400 0.086 0.000 2.219 163 K HA 0.493 4.813 4.320 0.000 0.000 0.258 163 K C -0.463 176.258 176.600 0.201 0.000 1.008 163 K CA -0.263 56.060 56.287 0.059 0.000 0.928 163 K CB 1.355 33.694 32.500 -0.268 0.000 0.983 163 K HN 0.126 nan 8.250 nan 0.000 0.484 164 L N 0.841 122.205 121.223 0.234 0.000 2.445 164 L HA 0.564 4.905 4.340 0.000 0.000 0.262 164 L C -1.241 175.830 176.870 0.336 0.000 0.974 164 L CA -0.833 54.115 54.840 0.180 0.000 0.822 164 L CB 2.230 44.236 42.059 -0.088 0.000 1.339 164 L HN 0.707 nan 8.230 nan 0.000 0.409 165 A N 2.575 125.580 122.820 0.308 0.000 2.374 165 A HA 0.856 5.176 4.320 0.000 0.000 0.305 165 A C -1.694 175.914 177.584 0.040 0.000 1.053 165 A CA -0.380 51.728 52.037 0.119 0.000 0.726 165 A CB 1.361 20.366 19.000 0.008 0.000 1.229 165 A HN 0.660 nan 8.150 nan 0.000 0.431 166 Y N -0.581 119.668 120.300 -0.086 0.000 2.625 166 Y HA 0.765 5.316 4.550 0.000 0.000 0.338 166 Y C -1.405 174.496 175.900 0.001 0.000 1.123 166 Y CA -1.600 56.417 58.100 -0.139 0.000 1.046 166 Y CB 1.004 39.302 38.460 -0.270 0.000 1.299 166 Y HN 0.465 nan 8.280 nan 0.000 0.464 167 V N 1.838 121.899 119.914 0.244 0.000 2.540 167 V HA 0.423 4.543 4.120 0.000 0.000 0.302 167 V C -1.507 174.806 176.094 0.364 0.000 1.035 167 V CA -0.675 61.749 62.300 0.206 0.000 0.873 167 V CB 1.516 33.380 31.823 0.070 0.000 0.992 167 V HN 0.884 nan 8.190 nan 0.000 0.428 168 W N 4.537 125.933 121.300 0.161 0.000 3.042 168 W HA 0.488 5.148 4.660 0.000 0.000 0.337 168 W C 0.310 176.875 176.519 0.077 0.000 1.086 168 W CA -0.738 56.658 57.345 0.085 0.000 1.236 168 W CB 1.336 30.794 29.460 -0.003 0.000 1.381 168 W HN 0.793 nan 8.180 nan 0.000 0.472 169 N N 5.215 123.515 118.700 -0.666 0.000 2.735 169 N HA -0.350 4.390 4.740 0.000 0.000 0.248 169 N C 0.260 175.611 175.510 -0.265 0.000 1.083 169 N CA 1.071 53.743 53.050 -0.630 0.000 0.703 169 N CB -1.078 36.809 38.487 -1.000 0.000 1.005 169 N HN 0.834 nan 8.380 nan 0.000 0.550 170 N N -1.874 116.738 118.700 -0.146 0.000 2.863 170 N HA -0.180 4.561 4.740 0.000 0.000 0.245 170 N C -1.249 174.211 175.510 -0.084 0.000 1.001 170 N CA 1.199 54.193 53.050 -0.093 0.000 0.901 170 N CB -0.356 38.033 38.487 -0.164 0.000 1.124 170 N HN 0.452 nan 8.380 nan 0.000 0.582 171 D N 0.517 120.887 120.400 -0.050 0.000 2.340 171 D HA 0.471 5.111 4.640 0.000 0.000 0.240 171 D C 0.210 176.409 176.300 -0.170 0.000 1.001 171 D CA -0.379 53.525 54.000 -0.160 0.000 0.888 171 D CB 1.685 42.343 40.800 -0.235 0.000 1.310 171 D HN 0.027 nan 8.370 nan 0.000 0.474 172 I N 1.711 122.015 120.570 -0.443 0.000 2.396 172 I HA 0.221 4.391 4.170 0.000 0.000 0.292 172 I C -0.682 175.012 176.117 -0.704 0.000 0.999 172 I CA -0.393 60.621 61.300 -0.476 0.000 1.310 172 I CB 0.527 38.156 38.000 -0.619 0.000 1.404 172 I HN 0.172 nan 8.210 nan 0.000 0.496 173 Y N 4.098 124.019 120.300 -0.632 0.000 2.545 173 Y HA 0.658 5.208 4.550 0.000 0.000 0.348 173 Y C -0.321 175.226 175.900 -0.588 0.000 1.002 173 Y CA -0.906 56.775 58.100 -0.698 0.000 1.039 173 Y CB 2.140 39.921 38.460 -1.132 0.000 1.271 173 Y HN 0.113 nan 8.280 nan 0.000 0.467 174 V N 2.309 122.126 119.914 -0.161 0.000 2.760 174 V HA 0.462 4.582 4.120 0.000 0.000 0.309 174 V C -1.059 175.023 176.094 -0.020 0.000 1.077 174 V CA -1.467 60.819 62.300 -0.023 0.000 0.910 174 V CB 2.125 34.002 31.823 0.089 0.000 1.008 174 V HN 0.616 nan 8.190 nan 0.000 0.424 175 K N 3.976 124.399 120.400 0.038 0.000 2.507 175 K HA 0.466 4.786 4.320 0.000 0.000 0.253 175 K C 0.158 176.788 176.600 0.050 0.000 0.969 175 K CA -0.635 55.630 56.287 -0.037 0.000 0.908 175 K CB 1.862 34.350 32.500 -0.018 0.000 1.127 175 K HN 0.442 nan 8.250 nan 0.000 0.437 176 I N 1.267 121.855 120.570 0.029 0.000 2.394 176 I HA -0.143 4.027 4.170 0.000 0.000 0.251 176 I C 0.419 176.625 176.117 0.147 0.000 1.136 176 I CA 1.438 62.808 61.300 0.116 0.000 1.425 176 I CB 0.025 38.111 38.000 0.144 0.000 1.079 176 I HN 0.516 nan 8.210 nan 0.000 0.425 177 E N -1.088 119.161 120.200 0.083 0.000 2.331 177 E HA 0.251 4.601 4.350 0.000 0.000 0.275 177 E C -1.964 174.585 176.600 -0.085 0.000 0.895 177 E CA -1.700 54.745 56.400 0.074 0.000 0.753 177 E CB 1.749 31.486 29.700 0.061 0.000 1.216 177 E HN -0.239 nan 8.360 nan 0.000 0.434 178 P HA -0.216 nan 4.420 nan 0.000 0.218 178 P C 0.847 178.034 177.300 -0.188 0.000 1.154 178 P CA 1.583 64.490 63.100 -0.322 0.000 0.872 178 P CB 0.263 31.517 31.700 -0.743 0.000 0.790 179 N N -1.624 116.992 118.700 -0.139 0.000 2.236 179 N HA 0.020 4.760 4.740 0.000 0.000 0.196 179 N C -0.045 175.423 175.510 -0.070 0.000 1.114 179 N CA 0.160 53.162 53.050 -0.081 0.000 0.859 179 N CB -0.215 38.247 38.487 -0.041 0.000 0.982 179 N HN 0.071 nan 8.380 nan 0.000 0.493 180 L N 1.443 122.616 121.223 -0.084 0.000 2.399 180 L HA 0.503 4.843 4.340 0.000 0.000 0.266 180 L C -2.059 174.725 176.870 -0.144 0.000 1.114 180 L CA -1.929 52.855 54.840 -0.093 0.000 0.804 180 L CB 0.523 42.527 42.059 -0.092 0.000 1.146 180 L HN -0.095 nan 8.230 nan 0.000 0.451 181 P HA 0.060 nan 4.420 nan 0.000 0.267 181 P C -0.807 176.326 177.300 -0.277 0.000 1.201 181 P CA 0.055 63.068 63.100 -0.145 0.000 0.775 181 P CB 0.457 32.120 31.700 -0.063 0.000 0.854 182 S N 1.249 116.863 115.700 -0.143 0.000 2.580 182 S HA 0.262 4.732 4.470 0.000 0.000 0.274 182 S C -0.526 174.053 174.600 -0.035 0.000 1.329 182 S CA -0.020 58.118 58.200 -0.102 0.000 1.036 182 S CB -0.078 63.170 63.200 0.080 0.000 0.919 182 S HN 0.231 nan 8.310 nan 0.000 0.515 183 Y N 1.615 121.932 120.300 0.027 0.000 2.417 183 Y HA 0.316 4.866 4.550 0.000 0.000 0.336 183 Y C 0.862 176.643 175.900 -0.198 0.000 0.961 183 Y CA -1.044 57.037 58.100 -0.031 0.000 1.215 183 Y CB 0.324 38.773 38.460 -0.018 0.000 1.120 183 Y HN 0.420 nan 8.280 nan 0.000 0.499 184 R N 4.207 124.626 120.500 -0.135 0.000 2.483 184 R HA 0.009 4.349 4.340 0.000 0.000 0.329 184 R C 0.661 176.670 176.300 -0.485 0.000 0.961 184 R CA 0.391 56.063 56.100 -0.714 0.000 1.041 184 R CB 0.238 29.951 30.300 -0.978 0.000 0.930 184 R HN 0.719 nan 8.270 nan 0.000 0.413 185 I N 1.053 121.274 120.570 -0.582 0.000 2.429 185 I HA -0.067 4.103 4.170 0.000 0.000 0.247 185 I C 1.389 177.301 176.117 -0.342 0.000 1.099 185 I CA 1.088 62.176 61.300 -0.353 0.000 1.422 185 I CB -0.407 37.357 38.000 -0.394 0.000 1.112 185 I HN 0.355 nan 8.210 nan 0.000 0.430 186 T N -1.243 112.973 114.554 -0.564 0.000 2.885 186 T HA 0.345 4.695 4.350 0.000 0.000 0.285 186 T C -1.156 173.237 174.700 -0.512 0.000 1.019 186 T CA -0.371 61.496 62.100 -0.388 0.000 1.010 186 T CB 1.173 69.804 68.868 -0.396 0.000 1.022 186 T HN 0.187 nan 8.240 nan 0.000 0.466 187 W N 1.761 122.953 121.300 -0.180 0.000 2.467 187 W HA 0.252 4.912 4.660 0.000 0.000 0.369 187 W C 1.712 178.180 176.519 -0.085 0.000 0.938 187 W CA -0.266 57.009 57.345 -0.118 0.000 1.845 187 W CB 0.096 29.504 29.460 -0.087 0.000 1.167 187 W HN 0.819 nan 8.180 nan 0.000 0.558 188 T N -3.094 111.501 114.554 0.067 0.000 3.054 188 T HA 0.310 4.660 4.350 0.000 0.000 0.255 188 T C 1.207 175.903 174.700 -0.006 0.000 1.035 188 T CA 0.142 62.267 62.100 0.041 0.000 0.941 188 T CB -0.030 68.858 68.868 0.033 0.000 1.026 188 T HN 0.003 nan 8.240 nan 0.000 0.533 189 G N 1.281 110.051 108.800 -0.050 0.000 2.391 189 G HA2 0.351 4.311 3.960 0.000 0.000 0.234 189 G HA3 0.351 4.311 3.960 0.000 0.000 0.234 189 G C -0.574 174.269 174.900 -0.094 0.000 1.284 189 G CA -0.333 44.714 45.100 -0.088 0.000 0.873 189 G HN 0.603 nan 8.290 nan 0.000 0.549 190 K N 1.536 121.849 120.400 -0.145 0.000 2.610 190 K HA 0.131 4.452 4.320 0.000 0.000 0.274 190 K C -0.203 176.270 176.600 -0.213 0.000 1.049 190 K CA -0.591 55.612 56.287 -0.139 0.000 0.945 190 K CB 1.064 33.517 32.500 -0.079 0.000 1.313 190 K HN 0.651 nan 8.250 nan 0.000 0.463 191 E N 3.433 123.515 120.200 -0.197 0.000 2.900 191 E HA -0.199 4.151 4.350 0.000 0.000 0.259 191 E C -0.484 176.016 176.600 -0.168 0.000 0.918 191 E CA 1.377 57.660 56.400 -0.195 0.000 0.960 191 E CB 0.221 29.846 29.700 -0.124 0.000 0.908 191 E HN 0.673 nan 8.360 nan 0.000 0.511 192 D N 2.448 122.727 120.400 -0.201 0.000 3.059 192 D HA -0.247 4.393 4.640 0.000 0.000 0.213 192 D C 0.605 176.913 176.300 0.014 0.000 1.144 192 D CA 1.321 55.323 54.000 0.003 0.000 0.975 192 D CB -0.440 40.411 40.800 0.085 0.000 1.125 192 D HN 0.417 nan 8.370 nan 0.000 0.412 193 I N -0.605 119.882 120.570 -0.138 0.000 3.518 193 I HA 0.211 4.381 4.170 0.000 0.000 0.260 193 I C 0.999 177.127 176.117 0.017 0.000 1.148 193 I CA 0.512 61.809 61.300 -0.006 0.000 1.440 193 I CB 0.309 38.300 38.000 -0.014 0.000 1.485 193 I HN -0.122 nan 8.210 nan 0.000 0.456 194 I N 0.727 121.217 120.570 -0.133 0.000 2.447 194 I HA 0.253 4.423 4.170 0.000 0.000 0.287 194 I C -1.500 174.544 176.117 -0.122 0.000 1.023 194 I CA -0.599 60.698 61.300 -0.005 0.000 1.083 194 I CB 2.005 40.018 38.000 0.023 0.000 1.245 194 I HN -0.068 nan 8.210 nan 0.000 0.434 195 Y N 4.720 125.108 120.300 0.147 0.000 2.328 195 Y HA 0.436 4.986 4.550 0.000 0.000 0.337 195 Y C 0.050 176.022 175.900 0.120 0.000 0.966 195 Y CA -0.979 57.209 58.100 0.147 0.000 1.136 195 Y CB 1.029 39.635 38.460 0.242 0.000 1.170 195 Y HN 0.419 nan 8.280 nan 0.000 0.470 196 N N 1.947 120.731 118.700 0.140 0.000 2.417 196 N HA 0.366 5.106 4.740 0.000 0.000 0.274 196 N C 0.826 176.311 175.510 -0.042 0.000 0.987 196 N CA 0.418 53.486 53.050 0.029 0.000 0.912 196 N CB 1.895 40.297 38.487 -0.142 0.000 1.177 196 N HN 0.962 nan 8.380 nan 0.000 0.490 197 G N 1.478 110.284 108.800 0.009 0.000 2.205 197 G HA2 -0.257 3.703 3.960 0.000 0.000 0.261 197 G HA3 -0.257 3.703 3.960 0.000 0.000 0.261 197 G C 0.146 174.968 174.900 -0.130 0.000 0.980 197 G CA 0.819 45.867 45.100 -0.087 0.000 0.632 197 G HN 0.657 nan 8.290 nan 0.000 0.533 198 I N -1.737 118.806 120.570 -0.045 0.000 2.934 198 I HA 0.820 4.990 4.170 0.000 0.000 0.306 198 I C 0.328 176.466 176.117 0.035 0.000 1.110 198 I CA -0.639 60.518 61.300 -0.238 0.000 1.019 198 I CB 1.984 39.639 38.000 -0.574 0.000 1.227 198 I HN 0.180 nan 8.210 nan 0.000 0.434 199 T N -0.610 113.875 114.554 -0.114 0.000 2.902 199 T HA 0.377 4.727 4.350 0.000 0.000 0.280 199 T C -0.205 174.215 174.700 -0.468 0.000 0.992 199 T CA -0.636 61.196 62.100 -0.446 0.000 1.015 199 T CB 1.379 69.972 68.868 -0.458 0.000 1.044 199 T HN 0.778 nan 8.240 nan 0.000 0.520 200 D N -0.094 119.770 120.400 -0.892 0.000 2.478 200 D HA 0.045 4.685 4.640 0.000 0.000 0.269 200 D C 0.927 177.061 176.300 -0.277 0.000 1.232 200 D CA -1.064 52.424 54.000 -0.853 0.000 1.059 200 D CB 0.185 40.468 40.800 -0.862 0.000 1.104 200 D HN 0.687 nan 8.370 nan 0.000 0.566 201 W N 0.181 121.370 121.300 -0.186 0.000 2.317 201 W HA -0.222 4.438 4.660 0.000 0.000 0.318 201 W C 2.221 178.570 176.519 -0.284 0.000 1.227 201 W CA 2.446 59.671 57.345 -0.200 0.000 1.269 201 W CB -0.510 28.782 29.460 -0.280 0.000 1.155 201 W HN 0.199 nan 8.180 nan 0.000 0.484 202 V N -0.246 119.646 119.914 -0.036 0.000 2.515 202 V HA -0.284 3.836 4.120 0.000 0.000 0.250 202 V C 1.818 177.647 176.094 -0.441 0.000 1.058 202 V CA 1.910 64.076 62.300 -0.222 0.000 1.064 202 V CB -0.709 31.017 31.823 -0.162 0.000 0.675 202 V HN 0.294 nan 8.190 nan 0.000 0.461 203 Y N 0.553 120.527 120.300 -0.543 0.000 2.373 203 Y HA -0.109 4.441 4.550 0.000 0.000 0.293 203 Y C 2.511 178.071 175.900 -0.566 0.000 1.129 203 Y CA 1.890 59.570 58.100 -0.700 0.000 1.226 203 Y CB 0.016 37.745 38.460 -1.218 0.000 1.000 203 Y HN 0.410 nan 8.280 nan 0.000 0.549 204 E N 0.337 120.325 120.200 -0.353 0.000 2.028 204 E HA -0.263 4.087 4.350 0.000 0.000 0.191 204 E C 2.030 178.511 176.600 -0.198 0.000 0.988 204 E CA 1.455 57.729 56.400 -0.210 0.000 0.799 204 E CB 0.008 29.605 29.700 -0.173 0.000 0.755 204 E HN 0.367 nan 8.360 nan 0.000 0.447 205 E N 0.371 120.272 120.200 -0.498 0.000 2.028 205 E HA -0.168 4.182 4.350 0.000 0.000 0.190 205 E C 1.802 178.277 176.600 -0.209 0.000 0.984 205 E CA 1.671 57.810 56.400 -0.435 0.000 0.800 205 E CB 0.073 29.191 29.700 -0.971 0.000 0.758 205 E HN 0.235 nan 8.360 nan 0.000 0.448 206 E N -0.425 119.617 120.200 -0.263 0.000 2.340 206 E HA 0.020 4.370 4.350 0.000 0.000 0.194 206 E C 1.803 178.322 176.600 -0.136 0.000 0.996 206 E CA 0.758 57.075 56.400 -0.139 0.000 0.869 206 E CB 0.858 30.464 29.700 -0.156 0.000 0.835 206 E HN 0.298 nan 8.360 nan 0.000 0.493 207 V N -1.121 118.681 119.914 -0.186 0.000 2.996 207 V HA 0.065 4.185 4.120 0.000 0.000 0.235 207 V C 1.215 177.479 176.094 0.283 0.000 1.205 207 V CA 0.245 62.519 62.300 -0.044 0.000 1.225 207 V CB -0.073 31.600 31.823 -0.249 0.000 0.995 207 V HN -0.054 nan 8.190 nan 0.000 0.484 208 F N 1.456 121.396 119.950 -0.017 0.000 2.569 208 F HA 0.385 4.912 4.527 0.000 0.000 0.295 208 F C 1.908 177.663 175.800 -0.074 0.000 1.115 208 F CA 0.727 58.741 58.000 0.023 0.000 1.450 208 F CB -0.657 38.392 39.000 0.081 0.000 1.107 208 F HN 0.358 nan 8.300 nan 0.000 0.563 209 S N -0.151 115.587 115.700 0.063 0.000 3.581 209 S HA -0.035 4.435 4.470 0.000 0.000 0.354 209 S C -0.086 174.169 174.600 -0.575 0.000 1.059 209 S CA 0.382 58.495 58.200 -0.145 0.000 1.060 209 S CB -1.439 61.731 63.200 -0.050 0.000 0.908 209 S HN 0.770 nan 8.310 nan 0.000 0.475 210 A N -0.094 122.548 122.820 -0.297 0.000 2.586 210 A HA 0.643 4.963 4.320 0.000 0.000 0.291 210 A C -0.405 177.169 177.584 -0.016 0.000 1.062 210 A CA -0.015 51.864 52.037 -0.264 0.000 0.666 210 A CB 0.045 18.940 19.000 -0.175 0.000 1.281 210 A HN 0.817 nan 8.150 nan 0.000 0.421 211 Y N 1.168 121.335 120.300 -0.223 0.000 2.436 211 Y HA 0.249 4.800 4.550 0.000 0.000 0.288 211 Y C 1.524 177.194 175.900 -0.383 0.000 1.112 211 Y CA 0.884 58.857 58.100 -0.211 0.000 1.220 211 Y CB -0.025 38.349 38.460 -0.144 0.000 1.073 211 Y HN 0.698 nan 8.280 nan 0.000 0.552 212 S N 0.570 115.820 115.700 -0.749 0.000 2.560 212 S HA 0.407 4.878 4.470 0.000 0.000 0.284 212 S C 0.408 174.665 174.600 -0.572 0.000 1.327 212 S CA 0.311 57.799 58.200 -1.188 0.000 1.055 212 S CB 0.449 62.636 63.200 -1.689 0.000 0.868 212 S HN 0.462 nan 8.310 nan 0.000 0.506 213 A N 4.051 126.517 122.820 -0.591 0.000 2.676 213 A HA 0.500 4.820 4.320 0.000 0.000 0.258 213 A C -1.000 175.991 177.584 -0.989 0.000 0.898 213 A CA -0.573 51.185 52.037 -0.466 0.000 1.087 213 A CB -0.251 18.858 19.000 0.182 0.000 1.214 213 A HN 0.740 nan 8.150 nan 0.000 0.474 214 L N -3.958 116.523 121.223 -1.237 0.000 2.409 214 L HA 0.851 5.191 4.340 0.000 0.000 0.262 214 L C -1.154 175.236 176.870 -0.801 0.000 0.992 214 L CA -1.377 52.986 54.840 -0.796 0.000 0.817 214 L CB 0.930 42.806 42.059 -0.304 0.000 1.350 214 L HN 0.237 nan 8.230 nan 0.000 0.411 215 W N 1.278 122.684 121.300 0.178 0.000 2.687 215 W HA 0.325 4.985 4.660 0.000 0.000 0.328 215 W C -1.358 175.439 176.519 0.464 0.000 1.012 215 W CA -0.788 56.763 57.345 0.343 0.000 1.262 215 W CB 1.385 31.067 29.460 0.371 0.000 1.331 215 W HN 0.601 nan 8.180 nan 0.000 0.433 216 W N 2.537 124.098 121.300 0.435 0.000 2.158 216 W HA 0.179 4.839 4.660 0.000 0.000 0.339 216 W C 1.371 177.797 176.519 -0.155 0.000 1.294 216 W CA 0.493 57.956 57.345 0.197 0.000 1.231 216 W CB 0.794 30.328 29.460 0.123 0.000 1.143 216 W HN 0.195 nan 8.180 nan 0.000 0.571 217 S N 2.515 118.039 115.700 -0.293 0.000 2.600 217 S HA 0.171 4.641 4.470 0.000 0.000 0.265 217 S C -1.792 172.529 174.600 -0.465 0.000 1.325 217 S CA -1.002 56.385 58.200 -1.355 0.000 1.002 217 S CB 0.950 63.509 63.200 -1.070 0.000 0.921 217 S HN 0.284 nan 8.310 nan 0.000 0.554 218 P HA -0.176 nan 4.420 nan 0.000 0.216 218 P C 1.020 178.287 177.300 -0.056 0.000 1.157 218 P CA 1.684 64.737 63.100 -0.078 0.000 0.880 218 P CB -0.171 31.529 31.700 0.001 0.000 0.791 219 N N -2.120 116.537 118.700 -0.072 0.000 2.280 219 N HA 0.098 4.838 4.740 0.000 0.000 0.192 219 N C 1.154 176.605 175.510 -0.099 0.000 1.109 219 N CA 0.795 53.806 53.050 -0.064 0.000 0.855 219 N CB -0.590 37.874 38.487 -0.039 0.000 0.974 219 N HN 0.213 nan 8.380 nan 0.000 0.482 220 G N -0.949 107.805 108.800 -0.076 0.000 2.175 220 G HA2 -0.322 3.638 3.960 0.000 0.000 0.244 220 G HA3 -0.322 3.638 3.960 0.000 0.000 0.244 220 G C 0.947 175.913 174.900 0.110 0.000 0.982 220 G CA 0.642 45.710 45.100 -0.054 0.000 0.641 220 G HN 0.368 nan 8.290 nan 0.000 0.527 221 T N 0.359 114.897 114.554 -0.027 0.000 2.643 221 T HA 0.172 4.522 4.350 0.000 0.000 0.264 221 T C 0.955 175.538 174.700 -0.195 0.000 1.045 221 T CA 1.344 63.325 62.100 -0.198 0.000 1.155 221 T CB -0.112 68.471 68.868 -0.475 0.000 0.863 221 T HN 0.281 nan 8.240 nan 0.000 0.420 222 F N 0.630 120.624 119.950 0.073 0.000 2.397 222 F HA 0.589 5.116 4.527 0.000 0.000 0.331 222 F C -0.118 175.760 175.800 0.131 0.000 1.090 222 F CA -1.500 56.574 58.000 0.122 0.000 1.065 222 F CB 0.892 40.010 39.000 0.196 0.000 1.184 222 F HN -0.052 nan 8.300 nan 0.000 0.499 223 L N 3.066 124.438 121.223 0.248 0.000 2.342 223 L HA 0.781 5.121 4.340 0.000 0.000 0.276 223 L C -0.618 176.356 176.870 0.173 0.000 0.997 223 L CA -0.423 54.373 54.840 -0.073 0.000 0.838 223 L CB 0.714 42.456 42.059 -0.528 0.000 1.224 223 L HN 0.666 nan 8.230 nan 0.000 0.416 224 A N 4.641 127.656 122.820 0.326 0.000 2.303 224 A HA 0.802 5.122 4.320 0.000 0.000 0.317 224 A C -1.376 176.364 177.584 0.259 0.000 1.149 224 A CA -0.240 51.889 52.037 0.153 0.000 0.822 224 A CB 0.639 19.774 19.000 0.226 0.000 1.131 224 A HN 0.910 nan 8.150 nan 0.000 0.493 225 Y N -1.829 118.342 120.300 -0.215 0.000 2.624 225 Y HA 0.739 5.289 4.550 0.000 0.000 0.334 225 Y C -0.389 175.518 175.900 0.011 0.000 1.155 225 Y CA -0.870 57.244 58.100 0.023 0.000 1.046 225 Y CB 0.773 39.172 38.460 -0.101 0.000 1.316 225 Y HN 0.952 nan 8.280 nan 0.000 0.457 226 A N 2.123 125.200 122.820 0.430 0.000 2.311 226 A HA 0.707 5.027 4.320 0.000 0.000 0.334 226 A C -1.181 176.409 177.584 0.011 0.000 1.139 226 A CA -0.853 51.290 52.037 0.177 0.000 0.830 226 A CB 1.748 20.861 19.000 0.187 0.000 1.234 226 A HN 0.818 nan 8.150 nan 0.000 0.483 227 Q N 0.852 120.536 119.800 -0.194 0.000 2.321 227 Q HA 0.590 4.930 4.340 0.000 0.000 0.270 227 Q C -2.094 173.682 176.000 -0.373 0.000 1.032 227 Q CA -0.363 55.401 55.803 -0.065 0.000 0.784 227 Q CB 1.096 29.996 28.738 0.270 0.000 1.264 227 Q HN 0.590 nan 8.270 nan 0.000 0.448 228 F N 2.414 122.461 119.950 0.162 0.000 2.443 228 F HA 0.416 4.943 4.527 0.000 0.000 0.335 228 F C 0.371 176.316 175.800 0.241 0.000 1.104 228 F CA -0.871 57.188 58.000 0.100 0.000 1.013 228 F CB 1.420 40.370 39.000 -0.082 0.000 1.136 228 F HN 0.437 nan 8.300 nan 0.000 0.470 229 N N 1.963 120.872 118.700 0.348 0.000 2.479 229 N HA 0.238 4.978 4.740 0.000 0.000 0.261 229 N C -0.800 174.875 175.510 0.276 0.000 0.979 229 N CA -0.396 52.823 53.050 0.282 0.000 0.930 229 N CB 1.023 39.621 38.487 0.186 0.000 1.172 229 N HN 0.510 nan 8.380 nan 0.000 0.499 230 D N 1.278 121.865 120.400 0.312 0.000 2.368 230 D HA 0.107 4.747 4.640 0.000 0.000 0.218 230 D C 1.263 177.674 176.300 0.185 0.000 1.112 230 D CA 0.145 54.306 54.000 0.267 0.000 0.834 230 D CB 0.487 41.506 40.800 0.365 0.000 0.953 230 D HN 0.479 nan 8.370 nan 0.000 0.505 231 T N 0.873 115.517 114.554 0.150 0.000 2.616 231 T HA -0.283 4.067 4.350 0.000 0.000 0.261 231 T C 1.310 176.064 174.700 0.090 0.000 1.105 231 T CA 1.572 63.734 62.100 0.103 0.000 1.159 231 T CB -0.172 68.747 68.868 0.085 0.000 0.856 231 T HN 0.362 nan 8.240 nan 0.000 0.449 232 E N 0.414 120.667 120.200 0.088 0.000 2.444 232 E HA 0.190 4.540 4.350 0.000 0.000 0.191 232 E C -0.390 176.258 176.600 0.080 0.000 1.041 232 E CA -0.258 56.185 56.400 0.073 0.000 0.883 232 E CB 0.424 30.160 29.700 0.059 0.000 1.024 232 E HN 0.237 nan 8.360 nan 0.000 0.470 233 V N 3.521 123.497 119.914 0.104 0.000 2.508 233 V HA 0.096 4.216 4.120 0.000 0.000 0.281 233 V C -1.984 174.171 176.094 0.101 0.000 1.041 233 V CA -1.558 60.809 62.300 0.111 0.000 1.016 233 V CB 0.411 32.320 31.823 0.142 0.000 0.984 233 V HN 0.038 nan 8.190 nan 0.000 0.478 234 P HA 0.185 nan 4.420 nan 0.000 0.269 234 P C -0.662 176.684 177.300 0.077 0.000 1.217 234 P CA -0.105 63.038 63.100 0.072 0.000 0.783 234 P CB 0.476 32.215 31.700 0.065 0.000 0.898 235 L N 2.207 123.455 121.223 0.042 0.000 2.309 235 L HA 0.472 4.813 4.340 0.000 0.000 0.282 235 L C 0.255 177.100 176.870 -0.041 0.000 1.036 235 L CA -1.012 53.842 54.840 0.022 0.000 0.806 235 L CB 1.182 43.249 42.059 0.013 0.000 1.220 235 L HN 0.297 nan 8.230 nan 0.000 0.429 236 I N 2.285 122.794 120.570 -0.102 0.000 2.385 236 I HA 0.291 4.461 4.170 0.000 0.000 0.294 236 I C -0.456 175.563 176.117 -0.164 0.000 0.988 236 I CA 0.088 61.239 61.300 -0.248 0.000 1.265 236 I CB 1.146 38.776 38.000 -0.616 0.000 1.388 236 I HN 0.562 nan 8.210 nan 0.000 0.480 237 E N 7.192 127.308 120.200 -0.139 0.000 2.234 237 E HA 0.490 4.840 4.350 0.000 0.000 0.266 237 E C -1.813 174.780 176.600 -0.011 0.000 0.877 237 E CA -0.571 55.767 56.400 -0.104 0.000 0.758 237 E CB 2.013 31.652 29.700 -0.103 0.000 1.170 237 E HN 0.555 nan 8.360 nan 0.000 0.415 238 Y N -1.549 118.657 120.300 -0.156 0.000 2.597 238 Y HA 0.593 5.143 4.550 0.000 0.000 0.340 238 Y C -0.645 175.181 175.900 -0.122 0.000 1.097 238 Y CA -1.334 56.683 58.100 -0.139 0.000 1.037 238 Y CB 0.895 39.277 38.460 -0.131 0.000 1.305 238 Y HN 0.182 nan 8.280 nan 0.000 0.463 239 S N 1.904 117.567 115.700 -0.061 0.000 2.562 239 S HA 0.510 4.980 4.470 0.000 0.000 0.275 239 S C -1.460 172.935 174.600 -0.342 0.000 1.281 239 S CA -0.431 57.584 58.200 -0.308 0.000 1.045 239 S CB 0.443 63.339 63.200 -0.506 0.000 0.962 239 S HN 0.551 nan 8.310 nan 0.000 0.503 240 F N 2.439 122.091 119.950 -0.496 0.000 2.499 240 F HA 0.414 4.941 4.527 0.000 0.000 0.333 240 F C -0.212 175.351 175.800 -0.394 0.000 1.138 240 F CA -0.862 56.953 58.000 -0.308 0.000 0.945 240 F CB 0.755 39.682 39.000 -0.121 0.000 1.181 240 F HN 0.664 nan 8.300 nan 0.000 0.435 241 Y N 2.813 122.914 120.300 -0.332 0.000 2.420 241 Y HA 0.070 4.620 4.550 0.000 0.000 0.292 241 Y C 1.762 177.613 175.900 -0.082 0.000 1.119 241 Y CA 1.100 59.097 58.100 -0.170 0.000 1.229 241 Y CB -0.590 37.749 38.460 -0.202 0.000 1.026 241 Y HN 0.740 nan 8.280 nan 0.000 0.554 242 S N -0.158 115.510 115.700 -0.053 0.000 3.307 242 S HA -0.243 4.227 4.470 0.000 0.000 0.634 242 S C -0.293 174.381 174.600 0.125 0.000 2.711 242 S CA 0.349 58.679 58.200 0.217 0.000 2.940 242 S CB -1.111 62.293 63.200 0.340 0.000 0.331 242 S HN 0.474 nan 8.310 nan 0.000 1.766 243 D N 1.396 121.878 120.400 0.137 0.000 2.390 243 D HA 0.106 4.746 4.640 0.000 0.000 0.236 243 D C 1.450 177.791 176.300 0.068 0.000 1.189 243 D CA 0.416 54.469 54.000 0.089 0.000 0.887 243 D CB 0.197 41.046 40.800 0.082 0.000 1.198 243 D HN 0.599 nan 8.370 nan 0.000 0.444 244 E N 0.404 120.631 120.200 0.044 0.000 2.097 244 E HA -0.228 4.122 4.350 0.000 0.000 0.196 244 E C 1.792 178.411 176.600 0.032 0.000 1.000 244 E CA 1.555 57.971 56.400 0.027 0.000 0.804 244 E CB 0.119 29.828 29.700 0.015 0.000 0.740 244 E HN 0.468 nan 8.360 nan 0.000 0.454 245 S N 0.405 116.128 115.700 0.039 0.000 2.440 245 S HA -0.142 4.328 4.470 0.000 0.000 0.238 245 S C 1.188 175.818 174.600 0.051 0.000 1.010 245 S CA 0.324 58.547 58.200 0.039 0.000 0.972 245 S CB -0.271 62.953 63.200 0.040 0.000 0.774 245 S HN 0.228 nan 8.310 nan 0.000 0.501 246 L N 2.331 123.594 121.223 0.066 0.000 2.433 246 L HA 0.108 4.448 4.340 0.000 0.000 0.275 246 L C 1.633 178.548 176.870 0.075 0.000 1.128 246 L CA 0.086 54.977 54.840 0.085 0.000 0.875 246 L CB 0.933 43.056 42.059 0.107 0.000 1.171 246 L HN 0.418 nan 8.230 nan 0.000 0.463 247 Q N 4.008 123.863 119.800 0.091 0.000 2.083 247 Q HA -0.086 4.254 4.340 0.000 0.000 0.198 247 Q C -0.582 175.394 176.000 -0.040 0.000 0.969 247 Q CA 1.256 57.079 55.803 0.034 0.000 0.838 247 Q CB 0.235 29.031 28.738 0.097 0.000 0.900 247 Q HN 0.574 nan 8.270 nan 0.000 0.436 248 Y N 0.581 120.892 120.300 0.018 0.000 2.352 248 Y HA 0.387 4.937 4.550 0.000 0.000 0.339 248 Y C -2.054 173.849 175.900 0.006 0.000 0.992 248 Y CA -2.923 55.183 58.100 0.010 0.000 1.100 248 Y CB 1.296 39.754 38.460 -0.004 0.000 1.192 248 Y HN 0.134 nan 8.280 nan 0.000 0.458 249 P HA 0.078 nan 4.420 nan 0.000 0.269 249 P C -1.057 176.237 177.300 -0.011 0.000 1.209 249 P CA -0.474 62.627 63.100 0.003 0.000 0.776 249 P CB 0.499 32.140 31.700 -0.099 0.000 0.876 250 K N 0.100 120.475 120.400 -0.043 0.000 2.123 250 K HA 0.549 4.869 4.320 0.000 0.000 0.259 250 K C -0.826 175.706 176.600 -0.113 0.000 0.960 250 K CA -0.656 55.604 56.287 -0.044 0.000 0.872 250 K CB 0.703 33.195 32.500 -0.012 0.000 1.079 250 K HN 0.169 nan 8.250 nan 0.000 0.440 251 T N 2.158 116.637 114.554 -0.126 0.000 2.733 251 T HA 0.180 4.530 4.350 0.000 0.000 0.294 251 T C -0.259 174.299 174.700 -0.236 0.000 0.956 251 T CA -0.661 61.331 62.100 -0.180 0.000 0.987 251 T CB 0.884 69.672 68.868 -0.134 0.000 0.920 251 T HN 0.364 nan 8.240 nan 0.000 0.470 252 V N 6.546 126.208 119.914 -0.420 0.000 2.461 252 V HA 0.414 4.535 4.120 0.000 0.000 0.275 252 V C 0.342 176.182 176.094 -0.425 0.000 1.047 252 V CA -0.671 61.332 62.300 -0.495 0.000 0.955 252 V CB 0.423 31.724 31.823 -0.870 0.000 0.988 252 V HN 0.735 nan 8.190 nan 0.000 0.471 253 R N 4.808 125.196 120.500 -0.186 0.000 2.439 253 R HA 0.738 5.078 4.340 0.000 0.000 0.310 253 R C -1.202 175.117 176.300 0.032 0.000 0.955 253 R CA -0.616 55.430 56.100 -0.090 0.000 0.853 253 R CB 1.624 31.886 30.300 -0.063 0.000 1.171 253 R HN 0.472 nan 8.270 nan 0.000 0.449 254 V N 1.487 121.438 119.914 0.062 0.000 2.638 254 V HA 0.516 4.636 4.120 0.000 0.000 0.306 254 V C -2.757 173.418 176.094 0.136 0.000 1.052 254 V CA -2.512 59.892 62.300 0.173 0.000 0.885 254 V CB 2.631 34.612 31.823 0.264 0.000 0.999 254 V HN 0.529 nan 8.190 nan 0.000 0.424 255 P HA 0.190 nan 4.420 nan 0.000 0.262 255 P C -1.706 175.720 177.300 0.210 0.000 1.199 255 P CA 0.654 63.873 63.100 0.200 0.000 0.763 255 P CB -0.282 31.574 31.700 0.259 0.000 0.790 256 Y N 6.399 126.692 120.300 -0.011 0.000 2.307 256 Y HA 0.354 4.904 4.550 0.000 0.000 0.323 256 Y C -2.778 173.100 175.900 -0.036 0.000 1.100 256 Y CA -2.982 55.066 58.100 -0.086 0.000 1.140 256 Y CB 1.630 39.910 38.460 -0.300 0.000 1.159 256 Y HN 0.280 nan 8.280 nan 0.000 0.436 257 P HA 0.236 nan 4.420 nan 0.000 0.281 257 P C -0.910 176.479 177.300 0.147 0.000 1.286 257 P CA -0.113 63.055 63.100 0.113 0.000 0.772 257 P CB 1.391 33.123 31.700 0.054 0.000 0.862 258 K N 2.091 122.631 120.400 0.233 0.000 2.098 258 K HA 0.499 4.819 4.320 0.000 0.000 0.244 258 K C 0.471 177.162 176.600 0.151 0.000 1.014 258 K CA -0.779 55.649 56.287 0.235 0.000 0.917 258 K CB 0.618 33.247 32.500 0.215 0.000 1.072 258 K HN 0.455 nan 8.250 nan 0.000 0.477 259 A N 0.981 123.910 122.820 0.182 0.000 2.581 259 A HA 0.188 4.508 4.320 0.000 0.000 0.257 259 A C 1.172 178.778 177.584 0.035 0.000 1.022 259 A CA 1.195 53.327 52.037 0.158 0.000 0.812 259 A CB -1.485 17.689 19.000 0.290 0.000 0.918 259 A HN 0.930 nan 8.150 nan 0.000 0.516 260 G N 0.884 109.702 108.800 0.030 0.000 2.179 260 G HA2 0.121 4.081 3.960 0.000 0.000 0.260 260 G HA3 0.121 4.081 3.960 0.000 0.000 0.260 260 G C 0.639 175.546 174.900 0.011 0.000 0.977 260 G CA 0.802 45.895 45.100 -0.012 0.000 0.641 260 G HN 2.180 nan 8.290 nan 0.000 0.533 261 A N -0.629 122.216 122.820 0.041 0.000 2.257 261 A HA 0.792 5.112 4.320 0.000 0.000 0.290 261 A C 0.818 178.431 177.584 0.049 0.000 1.201 261 A CA 0.243 52.309 52.037 0.048 0.000 0.863 261 A CB 0.653 19.697 19.000 0.073 0.000 1.256 261 A HN 1.124 nan 8.150 nan 0.000 0.506 262 V N 2.081 122.026 119.914 0.052 0.000 2.521 262 V HA 0.060 4.180 4.120 0.000 0.000 0.286 262 V C 0.199 176.337 176.094 0.073 0.000 1.034 262 V CA -0.059 62.273 62.300 0.053 0.000 1.045 262 V CB 0.074 31.929 31.823 0.054 0.000 0.974 262 V HN 0.780 nan 8.190 nan 0.000 0.480 263 N N 6.383 125.126 118.700 0.071 0.000 2.495 263 N HA 0.487 5.227 4.740 0.000 0.000 0.280 263 N C -2.341 173.249 175.510 0.135 0.000 1.168 263 N CA -1.465 51.650 53.050 0.108 0.000 0.978 263 N CB 1.177 39.729 38.487 0.109 0.000 1.191 263 N HN 0.397 nan 8.380 nan 0.000 0.497 264 P HA 0.106 nan 4.420 nan 0.000 0.272 264 P C -0.607 176.835 177.300 0.236 0.000 1.240 264 P CA -0.142 63.099 63.100 0.235 0.000 0.791 264 P CB 0.402 32.276 31.700 0.290 0.000 0.978 265 T N -2.284 112.392 114.554 0.203 0.000 2.950 265 T HA 0.597 4.947 4.350 0.000 0.000 0.288 265 T C -0.321 174.484 174.700 0.175 0.000 1.035 265 T CA -0.860 61.319 62.100 0.132 0.000 1.028 265 T CB 1.530 70.442 68.868 0.072 0.000 1.109 265 T HN 0.363 nan 8.240 nan 0.000 0.514 266 V N 0.303 120.296 119.914 0.132 0.000 2.962 266 V HA 0.791 4.911 4.120 0.000 0.000 0.313 266 V C -1.547 174.608 176.094 0.101 0.000 1.099 266 V CA -0.856 61.474 62.300 0.049 0.000 0.971 266 V CB 2.055 33.930 31.823 0.086 0.000 1.028 266 V HN 1.046 nan 8.190 nan 0.000 0.430 267 K N 4.071 124.468 120.400 -0.004 0.000 2.477 267 K HA 0.569 4.889 4.320 0.000 0.000 0.255 267 K C -1.990 174.547 176.600 -0.104 0.000 0.952 267 K CA -0.481 55.782 56.287 -0.040 0.000 0.826 267 K CB 2.687 35.158 32.500 -0.048 0.000 1.331 267 K HN 0.562 nan 8.250 nan 0.000 0.437 268 F N 2.113 121.777 119.950 -0.478 0.000 2.532 268 F HA 0.613 5.140 4.527 0.000 0.000 0.321 268 F C -1.409 173.888 175.800 -0.838 0.000 1.089 268 F CA -0.740 56.984 58.000 -0.461 0.000 0.926 268 F CB 0.919 39.752 39.000 -0.278 0.000 1.168 268 F HN 0.400 nan 8.300 nan 0.000 0.459 269 F N 3.191 122.426 119.950 -1.192 0.000 2.626 269 F HA 0.728 5.256 4.527 0.000 0.000 0.311 269 F C -1.059 174.155 175.800 -0.977 0.000 1.088 269 F CA -1.159 56.262 58.000 -0.964 0.000 0.949 269 F CB 2.079 40.437 39.000 -1.070 0.000 1.322 269 F HN 0.131 nan 8.300 nan 0.000 0.461 270 V N 2.404 122.167 119.914 -0.251 0.000 2.638 270 V HA 0.638 4.758 4.120 0.000 0.000 0.306 270 V C -1.165 175.069 176.094 0.234 0.000 1.052 270 V CA -0.854 61.392 62.300 -0.091 0.000 0.885 270 V CB 1.956 33.600 31.823 -0.298 0.000 0.999 270 V HN 0.595 nan 8.190 nan 0.000 0.424 271 V N 4.217 124.315 119.914 0.307 0.000 2.604 271 V HA 0.503 4.623 4.120 0.000 0.000 0.305 271 V C -0.084 176.220 176.094 0.350 0.000 1.043 271 V CA -0.597 61.886 62.300 0.306 0.000 0.888 271 V CB 1.964 33.908 31.823 0.203 0.000 0.995 271 V HN 0.997 nan 8.190 nan 0.000 0.429 272 N N 3.352 122.221 118.700 0.281 0.000 2.602 272 N HA 0.120 4.860 4.740 0.000 0.000 0.238 272 N C 1.363 176.889 175.510 0.027 0.000 1.084 272 N CA 0.382 53.482 53.050 0.083 0.000 0.952 272 N CB 0.891 39.425 38.487 0.079 0.000 1.244 272 N HN 0.905 nan 8.380 nan 0.000 0.512 273 T N -0.080 114.501 114.554 0.044 0.000 2.897 273 T HA -0.137 4.214 4.350 0.000 0.000 0.271 273 T C 0.980 175.724 174.700 0.073 0.000 1.084 273 T CA 1.033 63.200 62.100 0.111 0.000 1.123 273 T CB 0.021 69.050 68.868 0.268 0.000 0.865 273 T HN 0.339 nan 8.240 nan 0.000 0.496 274 D N 0.783 121.174 120.400 -0.016 0.000 2.317 274 D HA 0.076 4.716 4.640 0.000 0.000 0.211 274 D C 1.698 177.994 176.300 -0.007 0.000 0.966 274 D CA 0.608 54.598 54.000 -0.017 0.000 0.876 274 D CB -0.056 40.697 40.800 -0.079 0.000 0.927 274 D HN 0.506 nan 8.370 nan 0.000 0.519 275 S N 0.107 115.801 115.700 -0.010 0.000 2.575 275 S HA 0.162 4.632 4.470 0.000 0.000 0.237 275 S C 0.361 174.949 174.600 -0.021 0.000 0.975 275 S CA -0.633 57.568 58.200 0.001 0.000 0.960 275 S CB -0.433 62.784 63.200 0.029 0.000 0.822 275 S HN 0.237 nan 8.310 nan 0.000 0.472 276 L N 1.056 122.243 121.223 -0.059 0.000 2.295 276 L HA 0.804 5.144 4.340 0.000 0.000 0.285 276 L C 0.207 176.888 176.870 -0.315 0.000 1.035 276 L CA -0.715 54.019 54.840 -0.177 0.000 0.806 276 L CB 1.666 43.594 42.059 -0.218 0.000 1.214 276 L HN 0.190 nan 8.230 nan 0.000 0.426 277 S N 2.405 117.929 115.700 -0.292 0.000 2.337 277 S HA 0.458 4.928 4.470 0.000 0.000 0.258 277 S C 0.621 174.979 174.600 -0.402 0.000 1.178 277 S CA -0.063 57.987 58.200 -0.250 0.000 1.023 277 S CB 1.067 64.207 63.200 -0.100 0.000 1.136 277 S HN 0.749 nan 8.310 nan 0.000 0.458 278 S N -0.946 114.681 115.700 -0.121 0.000 2.787 278 S HA 0.273 4.743 4.470 0.000 0.000 0.255 278 S C 1.090 175.711 174.600 0.034 0.000 1.051 278 S CA -0.208 58.004 58.200 0.020 0.000 1.124 278 S CB 0.447 63.755 63.200 0.180 0.000 1.104 278 S HN 0.402 nan 8.310 nan 0.000 0.623 279 V N 1.460 121.373 119.914 -0.002 0.000 2.685 279 V HA 0.148 4.268 4.120 0.000 0.000 0.244 279 V C 0.795 176.887 176.094 -0.002 0.000 1.054 279 V CA 1.067 63.371 62.300 0.008 0.000 1.076 279 V CB 0.061 31.886 31.823 0.003 0.000 0.725 279 V HN 0.336 nan 8.190 nan 0.000 0.467 280 T N 0.038 114.579 114.554 -0.022 0.000 2.908 280 T HA 0.379 4.729 4.350 0.000 0.000 0.290 280 T C -0.364 174.325 174.700 -0.018 0.000 1.034 280 T CA -0.574 61.514 62.100 -0.021 0.000 1.010 280 T CB 1.545 70.400 68.868 -0.023 0.000 1.068 280 T HN 0.077 nan 8.240 nan 0.000 0.481 281 N N 1.182 119.882 118.700 0.001 0.000 2.415 281 N HA 0.374 5.114 4.740 0.000 0.000 0.248 281 N C 0.056 175.584 175.510 0.030 0.000 1.271 281 N CA -0.154 52.928 53.050 0.054 0.000 0.913 281 N CB 0.580 39.089 38.487 0.036 0.000 1.129 281 N HN 0.822 nan 8.380 nan 0.000 0.444 282 A N 0.893 123.743 122.820 0.050 0.000 2.425 282 A HA 0.280 4.600 4.320 0.000 0.000 0.249 282 A C 0.115 177.732 177.584 0.055 0.000 1.084 282 A CA -0.022 52.030 52.037 0.026 0.000 0.781 282 A CB 0.057 19.062 19.000 0.009 0.000 1.019 282 A HN 0.529 nan 8.150 nan 0.000 0.490 283 T N 2.586 117.182 114.554 0.070 0.000 2.733 283 T HA 0.369 4.719 4.350 0.000 0.000 0.294 283 T C 0.109 174.893 174.700 0.139 0.000 0.956 283 T CA 0.049 62.206 62.100 0.095 0.000 0.987 283 T CB 0.610 69.540 68.868 0.103 0.000 0.920 283 T HN 0.513 nan 8.240 nan 0.000 0.470 284 S N 4.173 119.948 115.700 0.125 0.000 2.430 284 S HA 0.362 4.832 4.470 0.000 0.000 0.289 284 S C 0.245 175.009 174.600 0.273 0.000 1.143 284 S CA -0.762 57.539 58.200 0.168 0.000 1.067 284 S CB 0.076 63.273 63.200 -0.005 0.000 0.964 284 S HN 0.464 nan 8.310 nan 0.000 0.485 285 I N 3.880 124.634 120.570 0.307 0.000 2.312 285 I HA 0.229 4.399 4.170 0.000 0.000 0.291 285 I C 0.585 176.850 176.117 0.247 0.000 1.031 285 I CA -0.269 61.220 61.300 0.316 0.000 1.293 285 I CB 0.709 38.966 38.000 0.428 0.000 1.403 285 I HN 0.661 nan 8.210 nan 0.000 0.484 286 Q N 6.817 126.730 119.800 0.188 0.000 2.261 286 Q HA 0.511 4.851 4.340 0.000 0.000 0.252 286 Q C -1.211 174.732 176.000 -0.095 0.000 0.915 286 Q CA -0.411 55.302 55.803 -0.150 0.000 0.915 286 Q CB 1.356 29.927 28.738 -0.278 0.000 1.204 286 Q HN 0.585 nan 8.270 nan 0.000 0.421 287 I N 4.293 124.778 120.570 -0.142 0.000 2.355 287 I HA 0.247 4.417 4.170 0.000 0.000 0.288 287 I C 0.466 176.566 176.117 -0.029 0.000 0.999 287 I CA -0.497 60.796 61.300 -0.011 0.000 1.163 287 I CB 1.574 39.608 38.000 0.058 0.000 1.316 287 I HN 0.812 nan 8.210 nan 0.000 0.454 288 T N 3.386 117.891 114.554 -0.083 0.000 2.855 288 T HA 0.858 5.208 4.350 0.000 0.000 0.275 288 T C 0.632 175.134 174.700 -0.329 0.000 1.022 288 T CA 0.284 62.275 62.100 -0.182 0.000 0.977 288 T CB 1.519 70.287 68.868 -0.167 0.000 1.559 288 T HN 0.993 nan 8.240 nan 0.000 0.600 289 A N 0.634 123.171 122.820 -0.470 0.000 6.069 289 A HA -0.019 4.301 4.320 0.000 0.000 0.278 289 A C -2.466 174.488 177.584 -1.051 0.000 2.017 289 A CA 0.198 51.879 52.037 -0.592 0.000 0.717 289 A CB -2.903 15.892 19.000 -0.342 0.000 1.159 289 A HN 0.901 nan 8.150 nan 0.000 0.378 290 P HA 0.429 nan 4.420 nan 0.000 0.272 290 P C 0.971 178.057 177.300 -0.356 0.000 1.223 290 P CA 0.671 63.528 63.100 -0.404 0.000 0.784 290 P CB 0.588 32.134 31.700 -0.256 0.000 0.923 291 A N 2.505 125.188 122.820 -0.229 0.000 1.892 291 A HA -0.234 4.087 4.320 0.000 0.000 0.218 291 A C 2.154 179.634 177.584 -0.173 0.000 1.188 291 A CA 2.589 54.516 52.037 -0.184 0.000 0.631 291 A CB -1.960 16.966 19.000 -0.124 0.000 0.822 291 A HN 0.632 nan 8.150 nan 0.000 0.447 292 S N -1.849 113.770 115.700 -0.136 0.000 2.465 292 S HA -0.160 4.310 4.470 0.000 0.000 0.241 292 S C 1.695 176.205 174.600 -0.149 0.000 1.000 292 S CA 1.891 60.020 58.200 -0.118 0.000 0.964 292 S CB -0.299 62.888 63.200 -0.022 0.000 0.763 292 S HN 0.405 nan 8.310 nan 0.000 0.512 293 M N 0.974 120.442 119.600 -0.219 0.000 2.557 293 M HA 0.462 4.942 4.480 0.000 0.000 0.262 293 M C 1.717 177.791 176.300 -0.377 0.000 1.168 293 M CA 0.943 56.059 55.300 -0.306 0.000 1.194 293 M CB -0.470 31.821 32.600 -0.515 0.000 1.311 293 M HN 0.246 nan 8.290 nan 0.000 0.489 294 L N 0.685 121.659 121.223 -0.414 0.000 2.349 294 L HA -0.174 4.167 4.340 0.000 0.000 0.220 294 L C 2.062 178.880 176.870 -0.087 0.000 1.130 294 L CA 0.779 55.470 54.840 -0.249 0.000 0.791 294 L CB -1.027 40.896 42.059 -0.227 0.000 0.918 294 L HN 0.432 nan 8.230 nan 0.000 0.444 295 I N -2.668 117.841 120.570 -0.100 0.000 2.530 295 I HA -0.007 4.163 4.170 0.000 0.000 0.257 295 I C 1.169 177.269 176.117 -0.030 0.000 1.179 295 I CA 1.028 62.288 61.300 -0.066 0.000 1.440 295 I CB -0.591 37.357 38.000 -0.087 0.000 1.087 295 I HN 0.137 nan 8.210 nan 0.000 0.440 296 G N -0.042 108.763 108.800 0.008 0.000 2.650 296 G HA2 0.261 4.221 3.960 0.000 0.000 0.310 296 G HA3 0.261 4.221 3.960 0.000 0.000 0.310 296 G C -1.794 173.152 174.900 0.076 0.000 1.270 296 G CA -0.557 44.555 45.100 0.020 0.000 0.810 296 G HN 0.036 nan 8.290 nan 0.000 0.493 297 D N 1.382 121.771 120.400 -0.018 0.000 2.455 297 D HA 0.423 5.063 4.640 0.000 0.000 0.241 297 D C 0.372 176.597 176.300 -0.125 0.000 1.138 297 D CA 0.749 54.672 54.000 -0.128 0.000 0.877 297 D CB 0.384 41.087 40.800 -0.162 0.000 1.187 297 D HN 0.550 nan 8.370 nan 0.000 0.451 298 H N -0.796 118.133 119.070 -0.235 0.000 2.960 298 H HA 0.458 5.015 4.556 0.000 0.000 0.323 298 H C -1.335 173.871 175.328 -0.204 0.000 1.326 298 H CA -0.804 55.112 56.048 -0.219 0.000 1.124 298 H CB 0.412 30.184 29.762 0.016 0.000 1.853 298 H HN 0.298 nan 8.280 nan 0.000 0.536 299 Y N -0.163 120.417 120.300 0.467 0.000 2.605 299 Y HA 0.434 4.984 4.550 0.000 0.000 0.343 299 Y C -0.579 175.632 175.900 0.518 0.000 1.036 299 Y CA -1.217 57.155 58.100 0.454 0.000 1.065 299 Y CB 1.865 40.437 38.460 0.186 0.000 1.288 299 Y HN 0.483 nan 8.280 nan 0.000 0.481 300 L N 2.495 124.090 121.223 0.620 0.000 2.277 300 L HA 0.431 4.771 4.340 0.000 0.000 0.284 300 L C 0.288 177.342 176.870 0.305 0.000 1.028 300 L CA -0.476 54.380 54.840 0.027 0.000 0.835 300 L CB 0.351 42.334 42.059 -0.125 0.000 1.215 300 L HN 0.965 nan 8.230 nan 0.000 0.425 301 C N 1.165 120.505 119.300 0.068 0.000 2.735 301 C HA 0.465 4.925 4.460 0.000 0.000 0.271 301 C C 0.426 175.380 174.990 -0.061 0.000 1.281 301 C CA -0.242 58.849 59.018 0.123 0.000 1.719 301 C CB -0.594 27.197 27.740 0.086 0.000 2.024 301 C HN 0.849 nan 8.230 nan 0.000 0.566 302 D N -0.291 119.922 120.400 -0.312 0.000 2.706 302 D HA 0.389 5.029 4.640 0.000 0.000 0.225 302 D C -1.831 174.039 176.300 -0.717 0.000 1.241 302 D CA 0.038 53.767 54.000 -0.451 0.000 0.784 302 D CB 2.588 43.206 40.800 -0.304 0.000 1.521 302 D HN 0.266 nan 8.370 nan 0.000 0.461 303 V N 1.838 121.246 119.914 -0.843 0.000 2.610 303 V HA 0.664 4.784 4.120 0.000 0.000 0.298 303 V C -1.650 173.958 176.094 -0.810 0.000 1.067 303 V CA 0.043 61.698 62.300 -1.076 0.000 0.894 303 V CB 1.647 32.425 31.823 -1.742 0.000 1.015 303 V HN 0.602 nan 8.190 nan 0.000 0.432 304 T N 6.227 120.424 114.554 -0.596 0.000 2.881 304 T HA 0.495 4.846 4.350 0.000 0.000 0.290 304 T C -1.037 173.465 174.700 -0.330 0.000 1.000 304 T CA -0.178 61.732 62.100 -0.316 0.000 0.978 304 T CB 1.313 70.087 68.868 -0.157 0.000 0.997 304 T HN 0.742 nan 8.240 nan 0.000 0.443 305 W N 1.826 123.051 121.300 -0.126 0.000 2.272 305 W HA 0.507 5.167 4.660 0.000 0.000 0.318 305 W C 1.089 177.485 176.519 -0.205 0.000 1.255 305 W CA -0.456 56.812 57.345 -0.128 0.000 1.200 305 W CB 0.670 30.138 29.460 0.014 0.000 1.170 305 W HN 0.884 nan 8.180 nan 0.000 0.549 306 A N 2.097 124.814 122.820 -0.171 0.000 1.881 306 A HA 0.170 4.490 4.320 0.000 0.000 0.210 306 A C 0.943 178.499 177.584 -0.047 0.000 1.239 306 A CA 1.628 53.353 52.037 -0.520 0.000 0.629 306 A CB -0.502 17.824 19.000 -1.123 0.000 0.906 306 A HN 0.527 nan 8.150 nan 0.000 0.460 307 T N -5.605 109.007 114.554 0.097 0.000 2.716 307 T HA 0.368 4.718 4.350 0.000 0.000 0.286 307 T C 0.263 175.112 174.700 0.247 0.000 1.052 307 T CA -0.408 61.789 62.100 0.163 0.000 1.024 307 T CB 0.823 69.771 68.868 0.133 0.000 1.349 307 T HN 0.010 nan 8.240 nan 0.000 0.525 308 Q N 0.308 120.219 119.800 0.184 0.000 2.234 308 Q HA -0.050 4.290 4.340 0.000 0.000 0.206 308 Q C 0.900 177.099 176.000 0.331 0.000 0.980 308 Q CA 1.654 57.564 55.803 0.179 0.000 0.869 308 Q CB -0.172 28.652 28.738 0.143 0.000 0.912 308 Q HN 0.823 nan 8.270 nan 0.000 0.436 309 E N -0.526 119.881 120.200 0.346 0.000 2.758 309 E HA 0.210 4.560 4.350 0.000 0.000 0.215 309 E C -0.272 176.603 176.600 0.459 0.000 0.985 309 E CA -0.156 56.469 56.400 0.375 0.000 1.102 309 E CB 1.026 30.869 29.700 0.239 0.000 1.042 309 E HN -0.054 nan 8.360 nan 0.000 0.480 310 R N 1.547 122.335 120.500 0.479 0.000 2.538 310 R HA 0.524 4.865 4.340 0.000 0.000 0.292 310 R C -1.670 174.683 176.300 0.089 0.000 1.008 310 R CA -0.512 55.758 56.100 0.283 0.000 0.896 310 R CB 1.517 31.858 30.300 0.068 0.000 1.187 310 R HN 0.092 nan 8.270 nan 0.000 0.440 311 I N 2.627 123.068 120.570 -0.214 0.000 2.545 311 I HA 0.395 4.565 4.170 0.000 0.000 0.292 311 I C -0.795 174.989 176.117 -0.555 0.000 1.040 311 I CA -0.413 60.464 61.300 -0.705 0.000 1.068 311 I CB 2.128 39.268 38.000 -1.433 0.000 1.251 311 I HN 0.740 nan 8.210 nan 0.000 0.424 312 S N 7.569 122.923 115.700 -0.577 0.000 2.472 312 S HA 0.762 5.232 4.470 0.000 0.000 0.303 312 S C -1.120 173.140 174.600 -0.567 0.000 1.099 312 S CA -0.682 57.263 58.200 -0.426 0.000 1.077 312 S CB 1.743 64.803 63.200 -0.233 0.000 1.031 312 S HN 0.452 nan 8.310 nan 0.000 0.487 313 L N 2.196 123.110 121.223 -0.515 0.000 2.381 313 L HA 0.569 4.910 4.340 0.000 0.000 0.268 313 L C -0.279 176.272 176.870 -0.532 0.000 0.997 313 L CA -0.203 54.209 54.840 -0.713 0.000 0.818 313 L CB 1.883 43.471 42.059 -0.785 0.000 1.310 313 L HN 0.863 nan 8.230 nan 0.000 0.416 314 Q N 1.754 121.180 119.800 -0.623 0.000 2.330 314 Q HA 0.442 4.782 4.340 0.000 0.000 0.269 314 Q C -1.668 174.074 176.000 -0.431 0.000 1.022 314 Q CA -0.477 55.108 55.803 -0.365 0.000 0.796 314 Q CB 2.039 30.620 28.738 -0.261 0.000 1.271 314 Q HN 0.512 nan 8.270 nan 0.000 0.450 315 W N 2.555 123.818 121.300 -0.062 0.000 2.639 315 W HA 0.628 5.289 4.660 0.000 0.000 0.347 315 W C -0.828 175.746 176.519 0.091 0.000 1.067 315 W CA -0.653 56.709 57.345 0.029 0.000 1.218 315 W CB 1.016 30.462 29.460 -0.022 0.000 1.393 315 W HN 0.368 nan 8.180 nan 0.000 0.557 316 L N 2.394 123.875 121.223 0.430 0.000 2.410 316 L HA 0.544 4.884 4.340 0.000 0.000 0.270 316 L C -0.122 176.952 176.870 0.339 0.000 0.983 316 L CA -1.228 53.828 54.840 0.360 0.000 0.822 316 L CB 1.346 43.623 42.059 0.363 0.000 1.285 316 L HN 0.414 nan 8.230 nan 0.000 0.409 317 R N 2.333 122.991 120.500 0.263 0.000 2.738 317 R HA 0.226 4.566 4.340 0.000 0.000 0.268 317 R C 1.058 177.395 176.300 0.061 0.000 1.062 317 R CA -0.079 56.108 56.100 0.146 0.000 1.158 317 R CB 0.578 30.954 30.300 0.128 0.000 1.046 317 R HN 0.660 nan 8.270 nan 0.000 0.493 318 R N 1.135 121.579 120.500 -0.092 0.000 2.096 318 R HA -0.053 4.287 4.340 0.000 0.000 0.235 318 R C 0.417 176.755 176.300 0.065 0.000 1.127 318 R CA 1.082 57.109 56.100 -0.121 0.000 0.968 318 R CB 0.179 30.382 30.300 -0.162 0.000 0.861 318 R HN 0.378 nan 8.270 nan 0.000 0.440 319 I N 3.040 123.641 120.570 0.051 0.000 2.293 319 I HA -0.008 4.162 4.170 0.000 0.000 0.299 319 I C 0.261 176.442 176.117 0.107 0.000 1.153 319 I CA 0.455 61.794 61.300 0.065 0.000 1.302 319 I CB 0.703 38.730 38.000 0.045 0.000 1.460 319 I HN 0.273 nan 8.210 nan 0.000 0.552 320 Q N 3.482 123.353 119.800 0.117 0.000 2.285 320 Q HA -0.097 4.243 4.340 0.000 0.000 0.191 320 Q C 0.972 177.069 176.000 0.161 0.000 0.860 320 Q CA 0.096 55.988 55.803 0.149 0.000 1.015 320 Q CB -0.114 28.680 28.738 0.094 0.000 1.118 320 Q HN 0.478 nan 8.270 nan 0.000 0.455 321 N N -0.487 118.307 118.700 0.157 0.000 2.387 321 N HA -0.041 4.699 4.740 0.000 0.000 0.176 321 N C -0.751 174.880 175.510 0.203 0.000 1.022 321 N CA 0.637 53.778 53.050 0.151 0.000 0.883 321 N CB 0.430 38.995 38.487 0.130 0.000 1.019 321 N HN 0.294 nan 8.380 nan 0.000 0.435 322 Y N 0.539 120.878 120.300 0.066 0.000 2.376 322 Y HA 0.477 5.027 4.550 0.000 0.000 0.340 322 Y C -0.739 175.212 175.900 0.085 0.000 0.965 322 Y CA -1.062 57.075 58.100 0.062 0.000 1.078 322 Y CB 1.301 39.787 38.460 0.043 0.000 1.193 322 Y HN -0.074 nan 8.280 nan 0.000 0.452 323 S N 4.223 119.857 115.700 -0.110 0.000 2.546 323 S HA 0.859 5.329 4.470 0.000 0.000 0.274 323 S C -2.004 172.495 174.600 -0.169 0.000 1.121 323 S CA -0.794 57.398 58.200 -0.013 0.000 0.887 323 S CB 1.612 64.833 63.200 0.036 0.000 1.094 323 S HN 0.469 nan 8.310 nan 0.000 0.474 324 V N 3.415 123.328 119.914 -0.001 0.000 2.531 324 V HA 0.528 4.648 4.120 0.000 0.000 0.301 324 V C -0.424 175.712 176.094 0.068 0.000 1.034 324 V CA -0.631 61.666 62.300 -0.005 0.000 0.865 324 V CB 1.794 33.650 31.823 0.056 0.000 0.995 324 V HN 1.035 nan 8.190 nan 0.000 0.424 325 M N 3.778 123.390 119.600 0.021 0.000 2.180 325 M HA 0.505 4.986 4.480 0.000 0.000 0.350 325 M C -1.247 175.075 176.300 0.035 0.000 1.125 325 M CA -0.268 55.026 55.300 -0.010 0.000 1.031 325 M CB 1.096 33.646 32.600 -0.083 0.000 1.623 325 M HN 0.613 nan 8.290 nan 0.000 0.451 326 D N 4.923 125.332 120.400 0.014 0.000 2.198 326 D HA 0.534 5.175 4.640 0.000 0.000 0.247 326 D C -1.001 175.277 176.300 -0.037 0.000 1.010 326 D CA -0.062 53.948 54.000 0.017 0.000 0.880 326 D CB 1.829 42.667 40.800 0.063 0.000 1.209 326 D HN 0.582 nan 8.370 nan 0.000 0.451 327 I N 2.410 122.981 120.570 0.002 0.000 2.466 327 I HA 0.247 4.417 4.170 0.000 0.000 0.279 327 I C -0.597 175.526 176.117 0.011 0.000 1.033 327 I CA -0.572 60.722 61.300 -0.010 0.000 1.123 327 I CB 1.061 39.116 38.000 0.092 0.000 1.237 327 I HN 0.150 nan 8.210 nan 0.000 0.460 328 c N 3.535 122.132 118.600 -0.005 0.000 2.358 328 c HA 0.559 5.129 4.570 0.000 0.000 0.342 328 c C 0.056 174.308 174.090 0.270 0.000 1.234 328 c CA -0.623 55.776 56.329 0.116 0.000 1.969 328 c CB 0.797 43.380 42.510 0.121 0.000 2.346 328 c HN 0.592 nan 8.230 nan 0.000 0.525 329 D N -0.351 120.202 120.400 0.254 0.000 2.269 329 D HA 0.370 5.010 4.640 0.000 0.000 0.244 329 D C -0.788 175.499 176.300 -0.023 0.000 0.992 329 D CA -0.241 53.873 54.000 0.189 0.000 0.894 329 D CB 0.751 41.593 40.800 0.070 0.000 1.248 329 D HN 0.584 nan 8.370 nan 0.000 0.468 330 Y N 1.478 121.398 120.300 -0.634 0.000 2.335 330 Y HA 0.207 4.757 4.550 0.000 0.000 0.331 330 Y C -0.257 175.338 175.900 -0.509 0.000 1.094 330 Y CA -0.340 57.036 58.100 -1.207 0.000 1.253 330 Y CB 0.704 38.309 38.460 -1.424 0.000 1.203 330 Y HN 0.195 nan 8.280 nan 0.000 0.508 331 D N 5.044 124.911 120.400 -0.888 0.000 2.280 331 D HA 0.069 4.709 4.640 0.000 0.000 0.243 331 D C 0.620 176.428 176.300 -0.820 0.000 1.129 331 D CA -0.020 53.613 54.000 -0.611 0.000 0.848 331 D CB 1.417 41.994 40.800 -0.372 0.000 1.107 331 D HN 0.849 nan 8.370 nan 0.000 0.471 332 E N 1.733 121.638 120.200 -0.490 0.000 2.005 332 E HA -0.107 4.243 4.350 0.000 0.000 0.198 332 E C 0.643 177.104 176.600 -0.232 0.000 1.010 332 E CA 1.210 57.417 56.400 -0.322 0.000 0.825 332 E CB 0.026 29.653 29.700 -0.123 0.000 0.769 332 E HN 0.261 nan 8.360 nan 0.000 0.456 333 S N -0.371 115.234 115.700 -0.158 0.000 3.122 333 S HA 0.198 4.668 4.470 0.000 0.000 0.249 333 S C -0.069 174.466 174.600 -0.109 0.000 1.334 333 S CA 0.257 58.396 58.200 -0.102 0.000 1.251 333 S CB 0.074 63.234 63.200 -0.066 0.000 1.034 333 S HN 0.156 nan 8.310 nan 0.000 0.478 334 S N -0.667 114.940 115.700 -0.154 0.000 2.126 334 S HA 0.262 4.733 4.470 0.000 0.000 0.242 334 S C 1.267 175.792 174.600 -0.125 0.000 0.898 334 S CA -0.040 58.087 58.200 -0.123 0.000 1.395 334 S CB 0.053 63.173 63.200 -0.132 0.000 0.966 334 S HN 0.655 nan 8.310 nan 0.000 0.435 335 G N 2.432 111.078 108.800 -0.256 0.000 2.168 335 G HA2 -0.308 3.652 3.960 0.000 0.000 0.263 335 G HA3 -0.308 3.652 3.960 0.000 0.000 0.263 335 G C 0.033 174.895 174.900 -0.064 0.000 0.977 335 G CA 0.792 45.795 45.100 -0.161 0.000 0.659 335 G HN 0.533 nan 8.290 nan 0.000 0.533 336 R N -1.780 118.621 120.500 -0.165 0.000 2.606 336 R HA 0.698 5.038 4.340 0.000 0.000 0.249 336 R C -0.712 175.503 176.300 -0.141 0.000 1.127 336 R CA -0.793 55.302 56.100 -0.008 0.000 1.133 336 R CB 0.672 30.983 30.300 0.019 0.000 1.243 336 R HN 0.167 nan 8.270 nan 0.000 0.558 337 W N 0.223 121.552 121.300 0.048 0.000 2.532 337 W HA 0.401 5.061 4.660 0.000 0.000 0.321 337 W C -0.632 175.885 176.519 -0.003 0.000 1.037 337 W CA -0.358 57.009 57.345 0.037 0.000 1.220 337 W CB 1.287 30.768 29.460 0.035 0.000 1.361 337 W HN 0.414 nan 8.180 nan 0.000 0.468 338 N N 2.290 121.086 118.700 0.160 0.000 2.400 338 N HA 0.480 5.220 4.740 0.000 0.000 0.288 338 N C -1.384 174.182 175.510 0.093 0.000 1.024 338 N CA -0.702 52.400 53.050 0.087 0.000 0.894 338 N CB 1.177 39.675 38.487 0.018 0.000 1.173 338 N HN 0.201 nan 8.380 nan 0.000 0.487 339 c N 3.527 122.163 118.600 0.060 0.000 2.184 339 c HA 0.343 4.913 4.570 0.000 0.000 0.328 339 c C 0.462 174.559 174.090 0.011 0.000 1.081 339 c CA -1.079 55.272 56.329 0.037 0.000 1.533 339 c CB -1.547 40.976 42.510 0.021 0.000 1.905 339 c HN 0.584 nan 8.230 nan 0.000 0.439 340 L N 3.062 124.293 121.223 0.013 0.000 2.410 340 L HA 0.250 4.590 4.340 0.000 0.000 0.273 340 L C 0.815 177.674 176.870 -0.018 0.000 1.152 340 L CA 0.202 55.041 54.840 -0.002 0.000 0.855 340 L CB 0.210 42.272 42.059 0.004 0.000 1.129 340 L HN 0.501 nan 8.230 nan 0.000 0.463 341 V N 4.852 124.749 119.914 -0.029 0.000 3.503 341 V HA 0.390 4.510 4.120 0.000 0.000 0.300 341 V C 1.254 177.317 176.094 -0.052 0.000 1.099 341 V CA 0.688 62.961 62.300 -0.045 0.000 1.117 341 V CB 1.154 32.953 31.823 -0.041 0.000 1.122 341 V HN 1.120 nan 8.190 nan 0.000 0.476 342 A N 2.801 125.574 122.820 -0.078 0.000 4.018 342 A HA -0.270 4.051 4.320 0.000 0.000 0.252 342 A C 1.728 179.247 177.584 -0.109 0.000 0.872 342 A CA 1.837 53.825 52.037 -0.082 0.000 1.417 342 A CB -1.899 17.074 19.000 -0.044 0.000 1.002 342 A HN 0.912 nan 8.150 nan 0.000 0.777 343 R N 0.018 120.462 120.500 -0.093 0.000 2.365 343 R HA 0.130 4.470 4.340 0.000 0.000 0.223 343 R C 0.772 176.982 176.300 -0.150 0.000 0.899 343 R CA 0.715 56.782 56.100 -0.055 0.000 1.059 343 R CB 0.199 30.517 30.300 0.029 0.000 1.086 343 R HN 0.886 nan 8.270 nan 0.000 0.522 344 Q N -0.154 119.517 119.800 -0.213 0.000 2.230 344 Q HA 0.224 4.564 4.340 0.000 0.000 0.248 344 Q C -1.234 174.520 176.000 -0.411 0.000 0.915 344 Q CA -0.483 55.209 55.803 -0.185 0.000 0.900 344 Q CB 1.274 29.967 28.738 -0.074 0.000 1.229 344 Q HN 0.100 nan 8.270 nan 0.000 0.439 345 H N 1.259 120.339 119.070 0.017 0.000 2.489 345 H HA 0.464 5.020 4.556 0.000 0.000 0.343 345 H C -1.069 174.237 175.328 -0.036 0.000 1.086 345 H CA -0.712 55.351 56.048 0.026 0.000 1.198 345 H CB 1.211 31.014 29.762 0.067 0.000 1.490 345 H HN 0.530 nan 8.280 nan 0.000 0.504 346 I N 1.956 122.544 120.570 0.031 0.000 2.385 346 I HA 0.191 4.361 4.170 0.000 0.000 0.294 346 I C 0.085 176.153 176.117 -0.082 0.000 0.988 346 I CA -0.081 61.149 61.300 -0.117 0.000 1.265 346 I CB 1.129 39.035 38.000 -0.156 0.000 1.388 346 I HN 0.626 nan 8.210 nan 0.000 0.480 347 E N 7.688 127.787 120.200 -0.167 0.000 2.260 347 E HA 0.654 5.004 4.350 0.000 0.000 0.266 347 E C -1.257 175.268 176.600 -0.124 0.000 0.887 347 E CA -0.627 55.726 56.400 -0.079 0.000 0.777 347 E CB 1.256 30.943 29.700 -0.021 0.000 1.205 347 E HN 0.626 nan 8.360 nan 0.000 0.414 348 M N 1.117 120.683 119.600 -0.057 0.000 2.744 348 M HA 0.688 5.168 4.480 0.000 0.000 0.283 348 M C -0.891 175.422 176.300 0.022 0.000 1.275 348 M CA -1.025 54.271 55.300 -0.006 0.000 0.796 348 M CB 2.183 34.807 32.600 0.039 0.000 1.739 348 M HN 0.239 nan 8.290 nan 0.000 0.454 349 S N -0.818 114.905 115.700 0.038 0.000 2.546 349 S HA 0.536 5.007 4.470 0.000 0.000 0.272 349 S C 0.019 174.634 174.600 0.025 0.000 1.140 349 S CA 0.028 58.241 58.200 0.021 0.000 0.920 349 S CB 1.801 64.998 63.200 -0.005 0.000 1.083 349 S HN 0.930 nan 8.310 nan 0.000 0.476 350 T N -0.237 114.329 114.554 0.020 0.000 3.015 350 T HA 0.077 4.427 4.350 0.000 0.000 0.250 350 T C 1.484 176.188 174.700 0.008 0.000 1.057 350 T CA 0.952 63.063 62.100 0.019 0.000 1.066 350 T CB -0.410 68.469 68.868 0.019 0.000 0.959 350 T HN 0.705 nan 8.240 nan 0.000 0.488 351 T N -1.929 112.634 114.554 0.015 0.000 3.060 351 T HA 0.622 4.972 4.350 0.000 0.000 0.249 351 T C 1.108 175.722 174.700 -0.143 0.000 1.079 351 T CA 0.332 62.450 62.100 0.030 0.000 1.013 351 T CB 0.415 69.359 68.868 0.127 0.000 0.975 351 T HN 0.631 nan 8.240 nan 0.000 0.518 352 G N 0.539 109.131 108.800 -0.346 0.000 2.704 352 G HA2 0.453 4.414 3.960 0.000 0.000 0.118 352 G HA3 0.453 4.414 3.960 0.000 0.000 0.118 352 G C -1.670 173.063 174.900 -0.279 0.000 1.197 352 G CA -0.479 44.218 45.100 -0.671 0.000 1.152 352 G HN 0.503 nan 8.290 nan 0.000 0.571 353 W N 0.015 121.093 121.300 -0.371 0.000 2.492 353 W HA 0.786 5.447 4.660 0.000 0.000 0.373 353 W C -0.428 176.073 176.519 -0.030 0.000 1.323 353 W CA -1.345 55.908 57.345 -0.153 0.000 1.406 353 W CB 0.851 30.195 29.460 -0.193 0.000 1.398 353 W HN 0.289 nan 8.180 nan 0.000 0.671 354 V N 3.131 123.157 119.914 0.187 0.000 2.432 354 V HA 0.666 4.786 4.120 0.000 0.000 0.275 354 V C 0.813 177.004 176.094 0.161 0.000 1.043 354 V CA 0.425 62.785 62.300 0.099 0.000 0.925 354 V CB -0.079 31.804 31.823 0.101 0.000 0.985 354 V HN 1.291 nan 8.190 nan 0.000 0.466 355 G N 5.255 114.093 108.800 0.063 0.000 2.828 355 G HA2 -0.204 3.756 3.960 0.000 0.000 0.463 355 G HA3 -0.204 3.756 3.960 0.000 0.000 0.463 355 G C 0.369 175.364 174.900 0.159 0.000 1.394 355 G CA 0.259 45.424 45.100 0.108 0.000 0.862 355 G HN 0.652 nan 8.290 nan 0.000 0.540 356 R N -0.914 119.682 120.500 0.159 0.000 2.057 356 R HA 0.148 4.488 4.340 0.000 0.000 0.229 356 R C 1.993 178.312 176.300 0.031 0.000 1.136 356 R CA 2.116 58.272 56.100 0.094 0.000 0.952 356 R CB -0.086 30.265 30.300 0.086 0.000 0.848 356 R HN 0.463 nan 8.270 nan 0.000 0.430 357 F N -0.850 119.275 119.950 0.290 0.000 2.784 357 F HA 0.270 4.798 4.527 0.000 0.000 0.323 357 F C 0.246 176.119 175.800 0.122 0.000 1.085 357 F CA -0.442 57.674 58.000 0.193 0.000 1.196 357 F CB 0.805 39.911 39.000 0.178 0.000 1.053 357 F HN -0.098 nan 8.300 nan 0.000 0.578 358 R N -0.804 119.876 120.500 0.300 0.000 2.825 358 R HA 0.300 4.640 4.340 0.000 0.000 0.274 358 R C -3.379 173.018 176.300 0.161 0.000 1.026 358 R CA -1.582 54.633 56.100 0.191 0.000 0.867 358 R CB 0.225 30.615 30.300 0.151 0.000 1.268 358 R HN -0.364 nan 8.270 nan 0.000 0.491 359 P HA -0.045 nan 4.420 nan 0.000 0.266 359 P C -0.031 177.301 177.300 0.053 0.000 1.195 359 P CA 0.131 63.272 63.100 0.068 0.000 0.768 359 P CB 0.853 32.570 31.700 0.027 0.000 0.838 360 S N 1.350 117.084 115.700 0.057 0.000 2.587 360 S HA 0.042 4.512 4.470 0.000 0.000 0.260 360 S C 0.156 174.757 174.600 0.002 0.000 1.353 360 S CA -0.537 57.702 58.200 0.065 0.000 0.995 360 S CB 0.498 63.756 63.200 0.096 0.000 0.912 360 S HN 0.588 nan 8.310 nan 0.000 0.568 361 E N 1.750 121.966 120.200 0.028 0.000 2.200 361 E HA 0.345 4.696 4.350 0.000 0.000 0.283 361 E C -2.395 174.170 176.600 -0.060 0.000 1.015 361 E CA -2.557 53.806 56.400 -0.062 0.000 0.819 361 E CB 0.942 30.609 29.700 -0.055 0.000 1.081 361 E HN 0.492 nan 8.360 nan 0.000 0.397 362 P HA 0.148 nan 4.420 nan 0.000 0.276 362 P C -1.041 176.100 177.300 -0.265 0.000 1.244 362 P CA -0.185 62.726 63.100 -0.316 0.000 0.801 362 P CB 0.932 32.047 31.700 -0.975 0.000 1.006 363 H N 1.644 120.655 119.070 -0.097 0.000 2.887 363 H HA 0.276 4.832 4.556 0.000 0.000 0.300 363 H C -0.193 175.203 175.328 0.113 0.000 1.038 363 H CA -0.373 55.725 56.048 0.083 0.000 1.352 363 H CB 0.193 30.047 29.762 0.155 0.000 1.473 363 H HN 0.296 nan 8.280 nan 0.000 0.503 364 F N 1.807 121.909 119.950 0.254 0.000 2.450 364 F HA 0.040 4.568 4.527 0.000 0.000 0.339 364 F C 1.764 177.736 175.800 0.288 0.000 1.146 364 F CA -0.249 57.920 58.000 0.282 0.000 1.267 364 F CB 0.783 39.888 39.000 0.175 0.000 1.178 364 F HN 0.364 nan 8.300 nan 0.000 0.585 365 T N 0.020 114.853 114.554 0.465 0.000 2.770 365 T HA 0.197 4.547 4.350 0.000 0.000 0.281 365 T C 1.130 176.007 174.700 0.295 0.000 0.981 365 T CA -0.782 61.530 62.100 0.353 0.000 0.955 365 T CB 0.676 69.734 68.868 0.317 0.000 1.060 365 T HN 0.566 nan 8.240 nan 0.000 0.531 366 L N 1.321 122.677 121.223 0.222 0.000 1.976 366 L HA -0.182 4.158 4.340 0.000 0.000 0.223 366 L C 2.118 179.091 176.870 0.172 0.000 1.081 366 L CA 2.756 57.702 54.840 0.176 0.000 0.784 366 L CB -1.154 40.987 42.059 0.138 0.000 0.896 366 L HN 0.957 nan 8.230 nan 0.000 0.438 367 D N -1.000 119.501 120.400 0.167 0.000 2.363 367 D HA 0.048 4.688 4.640 0.000 0.000 0.226 367 D C 1.501 177.907 176.300 0.176 0.000 1.020 367 D CA 0.736 54.827 54.000 0.151 0.000 0.892 367 D CB -0.849 40.029 40.800 0.130 0.000 0.900 367 D HN 0.587 nan 8.370 nan 0.000 0.531 368 G N 0.704 109.648 108.800 0.240 0.000 2.283 368 G HA2 -0.393 3.567 3.960 0.000 0.000 0.280 368 G HA3 -0.393 3.567 3.960 0.000 0.000 0.280 368 G C 0.552 175.651 174.900 0.332 0.000 1.029 368 G CA 0.554 45.833 45.100 0.299 0.000 0.840 368 G HN 0.529 nan 8.290 nan 0.000 0.505 369 N N -0.613 118.261 118.700 0.291 0.000 2.254 369 N HA 0.315 5.055 4.740 0.000 0.000 0.190 369 N C 0.731 176.375 175.510 0.222 0.000 1.107 369 N CA 0.492 53.683 53.050 0.234 0.000 0.869 369 N CB 0.444 39.022 38.487 0.151 0.000 0.983 369 N HN 0.624 nan 8.380 nan 0.000 0.487 370 S N -0.148 115.711 115.700 0.265 0.000 2.596 370 S HA 0.724 5.195 4.470 0.000 0.000 0.270 370 S C -1.298 173.378 174.600 0.127 0.000 1.155 370 S CA -0.997 57.238 58.200 0.058 0.000 0.827 370 S CB 1.470 64.656 63.200 -0.024 0.000 1.130 370 S HN 0.149 nan 8.310 nan 0.000 0.467 371 F N -1.854 117.959 119.950 -0.228 0.000 2.693 371 F HA 0.815 5.342 4.527 0.000 0.000 0.309 371 F C -2.275 173.367 175.800 -0.263 0.000 1.129 371 F CA -1.513 56.271 58.000 -0.360 0.000 0.948 371 F CB 0.490 38.846 39.000 -1.073 0.000 1.315 371 F HN 0.613 nan 8.300 nan 0.000 0.447 372 Y N 1.192 121.643 120.300 0.252 0.000 2.446 372 Y HA 0.723 5.274 4.550 0.000 0.000 0.338 372 Y C -0.557 175.496 175.900 0.255 0.000 1.055 372 Y CA -0.864 57.370 58.100 0.225 0.000 1.101 372 Y CB 2.251 40.773 38.460 0.103 0.000 1.221 372 Y HN 0.740 nan 8.280 nan 0.000 0.460 373 K N 0.848 121.479 120.400 0.384 0.000 2.572 373 K HA 0.537 4.857 4.320 0.000 0.000 0.263 373 K C -1.958 174.781 176.600 0.232 0.000 0.932 373 K CA -0.651 55.798 56.287 0.271 0.000 0.838 373 K CB 1.054 33.647 32.500 0.156 0.000 1.366 373 K HN 0.576 nan 8.250 nan 0.000 0.425 374 I N 4.196 124.866 120.570 0.166 0.000 2.533 374 I HA 0.291 4.461 4.170 0.000 0.000 0.284 374 I C 0.266 176.473 176.117 0.150 0.000 1.109 374 I CA -0.271 61.111 61.300 0.137 0.000 1.412 374 I CB 0.055 38.108 38.000 0.089 0.000 1.396 374 I HN 0.685 nan 8.210 nan 0.000 0.543 375 I N 1.872 122.561 120.570 0.199 0.000 3.102 375 I HA 0.471 4.641 4.170 0.000 0.000 0.310 375 I C -0.382 175.848 176.117 0.188 0.000 1.246 375 I CA -0.817 60.596 61.300 0.187 0.000 0.979 375 I CB 2.149 40.284 38.000 0.226 0.000 1.267 375 I HN 0.363 nan 8.210 nan 0.000 0.451 376 S N 2.453 118.207 115.700 0.090 0.000 2.531 376 S HA 0.271 4.741 4.470 0.000 0.000 0.279 376 S C 0.161 174.779 174.600 0.030 0.000 1.305 376 S CA -0.264 57.930 58.200 -0.011 0.000 1.058 376 S CB -0.157 62.976 63.200 -0.111 0.000 0.899 376 S HN 0.663 nan 8.310 nan 0.000 0.493 377 N N 2.235 120.848 118.700 -0.145 0.000 2.260 377 N HA 0.014 4.754 4.740 0.000 0.000 0.230 377 N C 1.079 176.505 175.510 -0.140 0.000 1.323 377 N CA 0.007 52.864 53.050 -0.322 0.000 0.897 377 N CB 0.270 38.557 38.487 -0.334 0.000 1.146 377 N HN 0.844 nan 8.380 nan 0.000 0.460 378 E N 0.174 120.287 120.200 -0.144 0.000 2.358 378 E HA -0.068 4.282 4.350 0.000 0.000 0.195 378 E C 0.619 177.172 176.600 -0.079 0.000 1.010 378 E CA 1.159 57.519 56.400 -0.067 0.000 0.856 378 E CB 0.102 29.771 29.700 -0.051 0.000 0.795 378 E HN 0.546 nan 8.360 nan 0.000 0.504 379 E N -1.171 118.974 120.200 -0.092 0.000 2.476 379 E HA 0.115 4.466 4.350 0.000 0.000 0.196 379 E C 0.441 177.029 176.600 -0.020 0.000 1.029 379 E CA 0.353 56.741 56.400 -0.020 0.000 0.896 379 E CB 0.204 29.916 29.700 0.021 0.000 1.012 379 E HN 0.411 nan 8.360 nan 0.000 0.475 380 G N 0.920 109.637 108.800 -0.138 0.000 2.179 380 G HA2 -0.292 3.669 3.960 0.000 0.000 0.260 380 G HA3 -0.292 3.669 3.960 0.000 0.000 0.260 380 G C -0.246 174.377 174.900 -0.462 0.000 0.977 380 G CA 0.379 45.289 45.100 -0.317 0.000 0.641 380 G HN 0.247 nan 8.290 nan 0.000 0.533 381 Y N 0.522 120.675 120.300 -0.246 0.000 2.323 381 Y HA 0.641 5.191 4.550 0.000 0.000 0.331 381 Y C 1.214 176.939 175.900 -0.292 0.000 1.092 381 Y CA -0.866 57.074 58.100 -0.267 0.000 1.150 381 Y CB 0.933 39.255 38.460 -0.230 0.000 1.200 381 Y HN 0.065 nan 8.280 nan 0.000 0.472 382 R N 3.721 124.064 120.500 -0.262 0.000 2.248 382 R HA 0.282 4.622 4.340 0.000 0.000 0.328 382 R C -0.714 175.269 176.300 -0.529 0.000 1.067 382 R CA -0.102 55.843 56.100 -0.258 0.000 0.924 382 R CB 0.158 30.358 30.300 -0.167 0.000 1.013 382 R HN 0.686 nan 8.270 nan 0.000 0.454 383 H N 1.595 120.584 119.070 -0.135 0.000 2.941 383 H HA 0.352 4.908 4.556 0.000 0.000 0.344 383 H C -0.153 175.204 175.328 0.049 0.000 1.235 383 H CA -0.949 54.993 56.048 -0.176 0.000 1.149 383 H CB 1.564 31.101 29.762 -0.376 0.000 1.885 383 H HN 0.292 nan 8.280 nan 0.000 0.558 384 I N 1.054 121.691 120.570 0.110 0.000 2.441 384 I HA 0.075 4.245 4.170 0.000 0.000 0.287 384 I C 0.302 176.508 176.117 0.149 0.000 1.049 384 I CA 0.087 61.445 61.300 0.096 0.000 1.381 384 I CB 0.534 38.499 38.000 -0.058 0.000 1.409 384 I HN 0.150 nan 8.210 nan 0.000 0.523 385 c N 6.665 125.310 118.600 0.075 0.000 2.456 385 c HA 0.456 5.027 4.570 0.000 0.000 0.325 385 c C -0.578 173.437 174.090 -0.124 0.000 1.217 385 c CA -0.506 55.654 56.329 -0.282 0.000 1.687 385 c CB 1.159 43.232 42.510 -0.729 0.000 2.270 385 c HN 0.639 nan 8.230 nan 0.000 0.499 386 Y N 4.572 124.563 120.300 -0.515 0.000 2.335 386 Y HA 0.689 5.239 4.550 0.000 0.000 0.339 386 Y C -1.088 174.362 175.900 -0.750 0.000 0.987 386 Y CA -1.010 56.731 58.100 -0.597 0.000 1.140 386 Y CB 0.178 38.381 38.460 -0.428 0.000 1.173 386 Y HN 0.588 nan 8.280 nan 0.000 0.486 387 F N 3.038 122.294 119.950 -1.156 0.000 2.556 387 F HA 0.558 5.085 4.527 0.000 0.000 0.327 387 F C -0.351 174.745 175.800 -1.172 0.000 1.059 387 F CA -1.044 56.188 58.000 -1.279 0.000 0.953 387 F CB 1.646 39.503 39.000 -1.905 0.000 1.227 387 F HN 0.254 nan 8.300 nan 0.000 0.478 388 Q N 1.427 120.909 119.800 -0.531 0.000 2.331 388 Q HA 0.395 4.735 4.340 0.000 0.000 0.267 388 Q C 1.004 176.992 176.000 -0.020 0.000 1.006 388 Q CA -0.333 55.299 55.803 -0.285 0.000 0.818 388 Q CB 1.582 30.184 28.738 -0.228 0.000 1.276 388 Q HN 0.683 nan 8.270 nan 0.000 0.450 389 I N -0.565 120.090 120.570 0.142 0.000 2.479 389 I HA -0.218 3.952 4.170 0.000 0.000 0.258 389 I C 0.441 176.759 176.117 0.335 0.000 1.165 389 I CA 1.702 63.245 61.300 0.405 0.000 1.422 389 I CB 0.014 38.257 38.000 0.405 0.000 1.087 389 I HN 0.487 nan 8.210 nan 0.000 0.441 390 D N -0.035 120.464 120.400 0.164 0.000 2.462 390 D HA 0.191 4.831 4.640 0.000 0.000 0.221 390 D C -0.076 176.245 176.300 0.036 0.000 1.173 390 D CA -0.257 53.788 54.000 0.074 0.000 0.831 390 D CB 0.153 40.978 40.800 0.043 0.000 1.001 390 D HN 0.206 nan 8.370 nan 0.000 0.499 391 K N 0.604 121.046 120.400 0.070 0.000 2.323 391 K HA 0.293 4.613 4.320 0.000 0.000 0.259 391 K C 0.859 177.497 176.600 0.063 0.000 0.947 391 K CA -0.693 55.596 56.287 0.005 0.000 0.819 391 K CB 2.182 34.632 32.500 -0.084 0.000 1.109 391 K HN -0.120 nan 8.250 nan 0.000 0.429 392 K N 0.229 120.637 120.400 0.013 0.000 1.973 392 K HA -0.007 4.313 4.320 0.000 0.000 0.212 392 K C 0.031 176.626 176.600 -0.009 0.000 1.047 392 K CA 1.259 57.572 56.287 0.044 0.000 0.937 392 K CB -0.234 32.262 32.500 -0.008 0.000 0.721 392 K HN 0.324 nan 8.250 nan 0.000 0.440 393 D N 1.295 121.630 120.400 -0.108 0.000 2.371 393 D HA 0.051 4.691 4.640 0.000 0.000 0.256 393 D C 0.072 176.132 176.300 -0.399 0.000 1.193 393 D CA -0.118 53.754 54.000 -0.212 0.000 0.881 393 D CB 0.627 41.331 40.800 -0.160 0.000 1.143 393 D HN 0.509 nan 8.370 nan 0.000 0.473 394 c N 1.390 119.591 118.600 -0.666 0.000 2.347 394 c HA 0.755 5.325 4.570 0.000 0.000 0.366 394 c C 0.388 174.047 174.090 -0.719 0.000 1.241 394 c CA -0.618 55.094 56.329 -1.028 0.000 2.360 394 c CB 0.961 42.240 42.510 -2.052 0.000 2.290 394 c HN 0.469 nan 8.230 nan 0.000 0.587 395 T N 1.835 116.014 114.554 -0.625 0.000 2.809 395 T HA 0.461 4.811 4.350 0.000 0.000 0.284 395 T C -0.692 173.797 174.700 -0.351 0.000 0.992 395 T CA 0.136 62.035 62.100 -0.335 0.000 0.957 395 T CB 0.314 69.140 68.868 -0.070 0.000 0.942 395 T HN 0.478 nan 8.240 nan 0.000 0.439 396 F N 3.336 123.171 119.950 -0.191 0.000 2.538 396 F HA 0.228 4.756 4.527 0.000 0.000 0.371 396 F C 1.665 177.283 175.800 -0.303 0.000 1.087 396 F CA -0.882 56.987 58.000 -0.219 0.000 1.250 396 F CB 0.371 39.244 39.000 -0.212 0.000 1.110 396 F HN 0.586 nan 8.300 nan 0.000 0.570 397 I N -0.716 119.705 120.570 -0.248 0.000 3.783 397 I HA 0.196 4.366 4.170 0.000 0.000 0.310 397 I C 0.359 176.266 176.117 -0.350 0.000 1.274 397 I CA 0.190 61.055 61.300 -0.725 0.000 1.294 397 I CB -0.009 37.327 38.000 -1.107 0.000 1.051 397 I HN 0.486 nan 8.210 nan 0.000 0.435 398 T N 0.308 114.740 114.554 -0.203 0.000 2.916 398 T HA 0.740 5.090 4.350 0.000 0.000 0.292 398 T C -0.705 173.658 174.700 -0.562 0.000 1.064 398 T CA -0.724 61.253 62.100 -0.206 0.000 1.011 398 T CB 2.483 71.288 68.868 -0.104 0.000 1.152 398 T HN 0.495 nan 8.240 nan 0.000 0.510 399 K N -0.470 119.427 120.400 -0.839 0.000 2.639 399 K HA 0.721 5.041 4.320 0.000 0.000 0.279 399 K C -0.617 175.392 176.600 -0.984 0.000 0.976 399 K CA -0.878 54.592 56.287 -1.362 0.000 0.861 399 K CB 1.261 33.341 32.500 -0.700 0.000 1.436 399 K HN 1.467 nan 8.250 nan 0.000 0.400 400 G N 0.076 108.242 108.800 -1.056 0.000 2.356 400 G HA2 0.223 4.183 3.960 0.000 0.000 0.300 400 G HA3 0.223 4.183 3.960 0.000 0.000 0.300 400 G C -1.095 173.306 174.900 -0.832 0.000 1.331 400 G CA -0.307 44.405 45.100 -0.646 0.000 0.905 400 G HN 1.033 nan 8.290 nan 0.000 0.587 401 T N -0.544 113.698 114.554 -0.520 0.000 3.629 401 T HA 0.599 4.949 4.350 0.000 0.000 0.317 401 T C 0.034 174.624 174.700 -0.184 0.000 1.690 401 T CA 0.194 61.827 62.100 -0.779 0.000 1.276 401 T CB -0.884 67.707 68.868 -0.463 0.000 1.205 401 T HN 1.421 nan 8.240 nan 0.000 0.824 402 W N -0.177 121.025 121.300 -0.163 0.000 2.881 402 W HA 0.641 5.301 4.660 0.000 0.000 0.380 402 W C -1.554 174.961 176.519 -0.007 0.000 1.170 402 W CA -0.975 56.376 57.345 0.009 0.000 1.171 402 W CB 0.501 29.951 29.460 -0.017 0.000 1.464 402 W HN 0.245 nan 8.180 nan 0.000 0.574 403 E N 0.604 120.926 120.200 0.203 0.000 2.367 403 E HA 0.453 4.803 4.350 0.000 0.000 0.273 403 E C -1.284 175.356 176.600 0.067 0.000 0.903 403 E CA -1.162 55.136 56.400 -0.169 0.000 0.764 403 E CB 3.358 33.029 29.700 -0.048 0.000 1.252 403 E HN 0.154 nan 8.360 nan 0.000 0.446 404 V N 3.638 123.458 119.914 -0.157 0.000 2.455 404 V HA 0.010 4.130 4.120 0.000 0.000 0.273 404 V C 1.249 177.398 176.094 0.091 0.000 1.045 404 V CA -0.066 62.258 62.300 0.040 0.000 0.976 404 V CB 0.539 32.270 31.823 -0.154 0.000 0.993 404 V HN 0.685 nan 8.190 nan 0.000 0.475 405 I N 3.391 124.056 120.570 0.159 0.000 2.277 405 I HA 0.174 4.344 4.170 0.000 0.000 0.243 405 I C 1.159 177.373 176.117 0.162 0.000 1.094 405 I CA 1.310 62.698 61.300 0.147 0.000 1.393 405 I CB -0.895 37.137 38.000 0.052 0.000 1.078 405 I HN 0.747 nan 8.210 nan 0.000 0.417 406 G N 0.329 109.228 108.800 0.164 0.000 2.703 406 G HA2 0.531 4.491 3.960 0.000 0.000 0.294 406 G HA3 0.531 4.491 3.960 0.000 0.000 0.294 406 G C -1.205 173.781 174.900 0.144 0.000 1.451 406 G CA -0.548 44.646 45.100 0.156 0.000 0.869 406 G HN -0.031 nan 8.290 nan 0.000 0.516 407 I N 1.829 122.433 120.570 0.057 0.000 2.337 407 I HA 0.189 4.360 4.170 0.000 0.000 0.291 407 I C 0.731 176.823 176.117 -0.041 0.000 1.046 407 I CA -0.465 60.779 61.300 -0.092 0.000 1.324 407 I CB 1.595 39.296 38.000 -0.498 0.000 1.409 407 I HN 0.502 nan 8.210 nan 0.000 0.494 408 E N 5.150 125.371 120.200 0.035 0.000 2.307 408 E HA 0.285 4.636 4.350 0.000 0.000 0.195 408 E C 0.158 176.722 176.600 -0.059 0.000 0.975 408 E CA 0.211 56.661 56.400 0.083 0.000 0.878 408 E CB 0.703 30.522 29.700 0.197 0.000 0.845 408 E HN 0.667 nan 8.360 nan 0.000 0.488 409 A N 0.635 123.342 122.820 -0.190 0.000 2.582 409 A HA 0.535 4.855 4.320 0.000 0.000 0.297 409 A C -1.959 175.557 177.584 -0.114 0.000 1.059 409 A CA -0.696 51.161 52.037 -0.300 0.000 0.705 409 A CB 1.026 19.406 19.000 -1.033 0.000 1.279 409 A HN 0.048 nan 8.150 nan 0.000 0.404 410 L N 2.209 123.408 121.223 -0.039 0.000 2.376 410 L HA 0.832 5.172 4.340 0.000 0.000 0.275 410 L C 0.243 177.139 176.870 0.044 0.000 0.987 410 L CA 0.441 55.283 54.840 0.003 0.000 0.828 410 L CB 1.909 44.007 42.059 0.065 0.000 1.249 410 L HN 1.111 nan 8.230 nan 0.000 0.409 411 T N -0.115 114.473 114.554 0.057 0.000 2.927 411 T HA 0.424 4.774 4.350 0.000 0.000 0.286 411 T C 1.028 175.763 174.700 0.058 0.000 1.040 411 T CA 0.018 62.164 62.100 0.077 0.000 1.010 411 T CB 1.291 70.238 68.868 0.130 0.000 1.177 411 T HN 0.619 nan 8.240 nan 0.000 0.546 412 S N -0.666 115.071 115.700 0.062 0.000 2.474 412 S HA -0.077 4.394 4.470 0.000 0.000 0.235 412 S C 1.185 175.777 174.600 -0.013 0.000 0.997 412 S CA 0.763 58.992 58.200 0.048 0.000 0.949 412 S CB -0.464 62.768 63.200 0.054 0.000 0.766 412 S HN 0.736 nan 8.310 nan 0.000 0.517 413 D N -0.005 120.382 120.400 -0.022 0.000 2.394 413 D HA 0.179 4.819 4.640 0.000 0.000 0.237 413 D C -0.308 175.779 176.300 -0.355 0.000 1.028 413 D CA 0.806 54.720 54.000 -0.143 0.000 0.937 413 D CB 0.278 41.095 40.800 0.029 0.000 1.072 413 D HN 0.366 nan 8.370 nan 0.000 0.457 414 Y N -0.237 119.975 120.300 -0.147 0.000 2.587 414 Y HA 0.422 4.972 4.550 0.000 0.000 0.337 414 Y C -0.051 175.622 175.900 -0.378 0.000 1.065 414 Y CA -1.077 56.834 58.100 -0.315 0.000 1.126 414 Y CB 1.582 39.713 38.460 -0.549 0.000 1.279 414 Y HN -0.130 nan 8.280 nan 0.000 0.489 415 L N 2.542 123.602 121.223 -0.272 0.000 2.325 415 L HA 0.489 4.829 4.340 0.000 0.000 0.281 415 L C -1.939 174.759 176.870 -0.286 0.000 1.004 415 L CA -1.187 53.481 54.840 -0.287 0.000 0.823 415 L CB 0.044 41.874 42.059 -0.382 0.000 1.236 415 L HN 0.570 nan 8.230 nan 0.000 0.415 416 Y N 6.084 126.289 120.300 -0.158 0.000 2.342 416 Y HA 0.586 5.136 4.550 0.000 0.000 0.334 416 Y C -0.180 175.698 175.900 -0.036 0.000 1.067 416 Y CA -0.184 57.808 58.100 -0.180 0.000 1.128 416 Y CB 1.340 39.563 38.460 -0.394 0.000 1.200 416 Y HN 0.594 nan 8.280 nan 0.000 0.464 417 Y N 0.055 120.398 120.300 0.072 0.000 2.609 417 Y HA 0.776 5.326 4.550 0.000 0.000 0.336 417 Y C -1.851 174.126 175.900 0.127 0.000 1.129 417 Y CA -2.029 56.111 58.100 0.066 0.000 1.040 417 Y CB 0.971 39.444 38.460 0.022 0.000 1.310 417 Y HN 0.427 nan 8.280 nan 0.000 0.460 418 I N 3.059 123.806 120.570 0.296 0.000 2.460 418 I HA 0.711 4.881 4.170 0.000 0.000 0.298 418 I C -0.270 176.049 176.117 0.336 0.000 0.989 418 I CA -0.520 60.906 61.300 0.208 0.000 1.173 418 I CB 2.046 40.108 38.000 0.103 0.000 1.338 418 I HN 0.894 nan 8.210 nan 0.000 0.456 419 S N 2.820 118.690 115.700 0.284 0.000 2.656 419 S HA 0.385 4.856 4.470 0.000 0.000 0.273 419 S C -0.730 173.953 174.600 0.138 0.000 1.168 419 S CA -0.882 57.477 58.200 0.265 0.000 0.817 419 S CB 1.627 65.063 63.200 0.393 0.000 1.146 419 S HN 0.656 nan 8.310 nan 0.000 0.475 420 N N -0.449 118.327 118.700 0.127 0.000 2.328 420 N HA 0.180 4.920 4.740 0.000 0.000 0.247 420 N C 0.607 176.118 175.510 0.002 0.000 1.165 420 N CA -0.288 52.790 53.050 0.046 0.000 0.873 420 N CB 0.346 38.840 38.487 0.012 0.000 1.125 420 N HN 0.768 nan 8.380 nan 0.000 0.513 421 E N -0.048 120.012 120.200 -0.235 0.000 2.077 421 E HA -0.221 4.129 4.350 0.000 0.000 0.193 421 E C -0.350 176.101 176.600 -0.248 0.000 0.989 421 E CA 0.422 56.405 56.400 -0.696 0.000 0.800 421 E CB -0.071 28.531 29.700 -1.829 0.000 0.746 421 E HN 0.417 nan 8.360 nan 0.000 0.452 422 Y N 2.104 122.303 120.300 -0.169 0.000 2.865 422 Y HA -0.156 4.394 4.550 0.000 0.000 0.338 422 Y C 0.412 176.279 175.900 -0.056 0.000 1.269 422 Y CA 0.822 58.881 58.100 -0.069 0.000 1.585 422 Y CB -0.136 38.314 38.460 -0.017 0.000 1.224 422 Y HN 0.077 nan 8.280 nan 0.000 0.554 423 K N 3.469 123.624 120.400 -0.408 0.000 3.130 423 K HA -0.256 4.065 4.320 0.000 0.000 0.282 423 K C 0.928 177.465 176.600 -0.105 0.000 1.145 423 K CA 0.780 56.865 56.287 -0.337 0.000 0.831 423 K CB -1.758 30.445 32.500 -0.495 0.000 1.226 423 K HN 1.243 nan 8.250 nan 0.000 0.478 424 G N 0.522 109.285 108.800 -0.062 0.000 2.233 424 G HA2 -0.342 3.618 3.960 0.000 0.000 0.270 424 G HA3 -0.342 3.618 3.960 0.000 0.000 0.270 424 G C 0.081 174.989 174.900 0.013 0.000 1.011 424 G CA 0.896 46.011 45.100 0.025 0.000 0.762 424 G HN 0.362 nan 8.290 nan 0.000 0.511 425 M N 0.931 120.455 119.600 -0.126 0.000 2.151 425 M HA 0.202 4.683 4.480 0.000 0.000 0.349 425 M C -1.000 175.052 176.300 -0.414 0.000 1.284 425 M CA -1.829 53.218 55.300 -0.423 0.000 1.173 425 M CB 1.323 33.724 32.600 -0.331 0.000 1.469 425 M HN -0.077 nan 8.290 nan 0.000 0.439 426 P HA -0.083 nan 4.420 nan 0.000 0.225 426 P C 1.067 178.210 177.300 -0.261 0.000 1.148 426 P CA 1.155 64.076 63.100 -0.299 0.000 0.779 426 P CB 0.111 31.649 31.700 -0.271 0.000 0.780 427 G N -0.567 107.997 108.800 -0.393 0.000 3.042 427 G HA2 0.254 4.215 3.960 0.000 0.000 0.212 427 G HA3 0.254 4.215 3.960 0.000 0.000 0.212 427 G C 0.736 175.624 174.900 -0.019 0.000 1.166 427 G CA 0.137 45.142 45.100 -0.158 0.000 0.767 427 G HN 0.420 nan 8.290 nan 0.000 0.546 428 G N -0.376 108.360 108.800 -0.107 0.000 2.491 428 G HA2 0.654 4.614 3.960 0.000 0.000 0.327 428 G HA3 0.654 4.614 3.960 0.000 0.000 0.327 428 G C -0.896 173.876 174.900 -0.213 0.000 1.189 428 G CA -0.754 44.310 45.100 -0.060 0.000 0.956 428 G HN 0.069 nan 8.290 nan 0.000 0.491 429 R N 0.670 121.016 120.500 -0.257 0.000 2.522 429 R HA 0.429 4.769 4.340 0.000 0.000 0.283 429 R C -1.377 174.897 176.300 -0.044 0.000 1.074 429 R CA -0.816 55.111 56.100 -0.289 0.000 0.925 429 R CB 1.935 31.797 30.300 -0.730 0.000 1.205 429 R HN 0.594 nan 8.270 nan 0.000 0.436 430 N N 1.627 120.321 118.700 -0.008 0.000 2.277 430 N HA 0.321 5.061 4.740 0.000 0.000 0.286 430 N C -1.272 174.111 175.510 -0.212 0.000 1.140 430 N CA -0.792 52.171 53.050 -0.144 0.000 0.799 430 N CB 2.796 41.076 38.487 -0.344 0.000 1.596 430 N HN 0.293 nan 8.380 nan 0.000 0.473 431 L N 2.370 123.336 121.223 -0.428 0.000 2.305 431 L HA 0.482 4.822 4.340 0.000 0.000 0.281 431 L C -1.403 175.129 176.870 -0.564 0.000 1.085 431 L CA 0.102 54.725 54.840 -0.362 0.000 0.813 431 L CB -0.113 41.722 42.059 -0.373 0.000 1.157 431 L HN 0.412 nan 8.230 nan 0.000 0.436 432 Y N 3.320 123.272 120.300 -0.579 0.000 2.602 432 Y HA 0.629 5.179 4.550 0.000 0.000 0.342 432 Y C -0.530 174.986 175.900 -0.640 0.000 1.029 432 Y CA -0.897 56.798 58.100 -0.676 0.000 1.080 432 Y CB 1.710 39.589 38.460 -0.969 0.000 1.284 432 Y HN 0.569 nan 8.280 nan 0.000 0.485 433 K N 2.022 122.237 120.400 -0.309 0.000 2.443 433 K HA 0.716 5.036 4.320 0.000 0.000 0.252 433 K C -1.912 174.614 176.600 -0.125 0.000 0.933 433 K CA -0.665 55.367 56.287 -0.425 0.000 0.792 433 K CB 2.487 34.536 32.500 -0.751 0.000 1.185 433 K HN 0.763 nan 8.250 nan 0.000 0.425 434 I N 2.115 122.691 120.570 0.010 0.000 2.441 434 I HA 0.192 4.362 4.170 0.000 0.000 0.295 434 I C -0.660 175.537 176.117 0.134 0.000 0.994 434 I CA -0.740 60.647 61.300 0.144 0.000 1.144 434 I CB 1.933 40.044 38.000 0.185 0.000 1.314 434 I HN 0.859 nan 8.210 nan 0.000 0.445 435 Q N 5.393 125.242 119.800 0.082 0.000 2.293 435 Q HA 0.107 4.447 4.340 0.000 0.000 0.263 435 Q C 0.124 176.014 176.000 -0.183 0.000 1.002 435 Q CA -0.570 55.033 55.803 -0.333 0.000 0.910 435 Q CB 1.236 29.806 28.738 -0.280 0.000 1.185 435 Q HN 0.751 nan 8.270 nan 0.000 0.401 436 L N 3.178 124.241 121.223 -0.268 0.000 2.362 436 L HA -0.090 4.251 4.340 0.000 0.000 0.219 436 L C 1.810 178.581 176.870 -0.165 0.000 1.134 436 L CA 1.285 56.065 54.840 -0.100 0.000 0.807 436 L CB -0.578 41.395 42.059 -0.143 0.000 0.927 436 L HN 0.582 nan 8.230 nan 0.000 0.447 437 S N -1.709 113.844 115.700 -0.244 0.000 2.458 437 S HA 0.018 4.489 4.470 0.000 0.000 0.223 437 S C 0.620 175.025 174.600 -0.325 0.000 1.019 437 S CA 0.285 58.331 58.200 -0.256 0.000 0.937 437 S CB 0.271 63.351 63.200 -0.199 0.000 0.788 437 S HN 0.358 nan 8.310 nan 0.000 0.511 438 D N -0.114 120.112 120.400 -0.290 0.000 2.323 438 D HA 0.189 4.829 4.640 0.000 0.000 0.242 438 D C -0.570 175.669 176.300 -0.102 0.000 1.347 438 D CA -0.464 53.386 54.000 -0.249 0.000 0.988 438 D CB 0.241 40.961 40.800 -0.134 0.000 1.314 438 D HN -0.017 nan 8.370 nan 0.000 0.564 439 Y N 1.286 121.563 120.300 -0.038 0.000 2.736 439 Y HA -0.062 4.488 4.550 0.000 0.000 0.298 439 Y C 2.316 178.220 175.900 0.007 0.000 1.156 439 Y CA 0.600 58.691 58.100 -0.015 0.000 1.384 439 Y CB -0.639 37.816 38.460 -0.008 0.000 0.976 439 Y HN 0.294 nan 8.280 nan 0.000 0.556 440 T N -0.757 113.862 114.554 0.109 0.000 3.054 440 T HA 0.004 4.354 4.350 0.000 0.000 0.259 440 T C 0.823 175.564 174.700 0.070 0.000 1.092 440 T CA 0.367 62.511 62.100 0.074 0.000 1.121 440 T CB -0.045 68.840 68.868 0.029 0.000 0.912 440 T HN 0.146 nan 8.240 nan 0.000 0.489 441 K N 2.199 122.639 120.400 0.067 0.000 2.184 441 K HA 0.398 4.718 4.320 0.000 0.000 0.259 441 K C -1.066 175.601 176.600 0.113 0.000 1.119 441 K CA -0.169 56.163 56.287 0.074 0.000 0.991 441 K CB 1.002 33.536 32.500 0.057 0.000 1.522 441 K HN 0.030 nan 8.250 nan 0.000 0.405 442 V N 2.326 122.303 119.914 0.105 0.000 2.495 442 V HA 0.413 4.533 4.120 0.000 0.000 0.298 442 V C -0.923 175.220 176.094 0.082 0.000 1.031 442 V CA -0.160 62.210 62.300 0.116 0.000 0.871 442 V CB 1.983 33.890 31.823 0.140 0.000 0.988 442 V HN 0.550 nan 8.190 nan 0.000 0.432 443 T N 5.796 120.372 114.554 0.037 0.000 2.824 443 T HA 0.297 4.647 4.350 0.000 0.000 0.282 443 T C -0.600 174.030 174.700 -0.115 0.000 0.993 443 T CA -0.283 61.795 62.100 -0.038 0.000 0.967 443 T CB 1.133 69.939 68.868 -0.104 0.000 0.960 443 T HN 0.863 nan 8.240 nan 0.000 0.441 444 C N 5.317 124.478 119.300 -0.232 0.000 2.373 444 C HA 0.412 4.872 4.460 0.000 0.000 0.354 444 C C 1.671 176.321 174.990 -0.567 0.000 1.249 444 C CA -0.609 57.970 59.018 -0.731 0.000 1.784 444 C CB -1.955 25.221 27.740 -0.940 0.000 2.408 444 C HN 0.981 nan 8.230 nan 0.000 0.542 445 L N 4.735 125.611 121.223 -0.579 0.000 2.492 445 L HA 0.071 4.411 4.340 0.000 0.000 0.223 445 L C 2.122 178.675 176.870 -0.528 0.000 1.132 445 L CA 0.956 55.534 54.840 -0.436 0.000 0.850 445 L CB -0.310 41.528 42.059 -0.367 0.000 0.966 445 L HN 0.887 nan 8.230 nan 0.000 0.454 446 S N -3.111 112.154 115.700 -0.725 0.000 2.619 446 S HA -0.023 4.447 4.470 0.000 0.000 0.238 446 S C 1.923 176.124 174.600 -0.666 0.000 1.068 446 S CA 0.094 57.762 58.200 -0.886 0.000 0.926 446 S CB -0.330 61.928 63.200 -1.571 0.000 0.864 446 S HN 0.300 nan 8.310 nan 0.000 0.493 447 C N 2.361 121.225 119.300 -0.727 0.000 2.326 447 C HA -0.139 4.321 4.460 0.000 0.000 0.269 447 C C 2.562 177.286 174.990 -0.444 0.000 1.140 447 C CA 1.899 60.422 59.018 -0.825 0.000 1.798 447 C CB -1.268 25.674 27.740 -1.331 0.000 2.053 447 C HN 0.633 nan 8.230 nan 0.000 0.438 448 E N 0.054 120.052 120.200 -0.336 0.000 2.489 448 E HA 0.142 4.492 4.350 0.000 0.000 0.193 448 E C 1.884 178.437 176.600 -0.077 0.000 1.057 448 E CA 0.007 56.322 56.400 -0.142 0.000 0.866 448 E CB -0.325 29.304 29.700 -0.119 0.000 0.916 448 E HN 0.587 nan 8.360 nan 0.000 0.500 449 L N 0.210 121.380 121.223 -0.089 0.000 2.127 449 L HA -0.116 4.224 4.340 0.000 0.000 0.211 449 L C 0.873 177.760 176.870 0.028 0.000 1.089 449 L CA 0.941 55.769 54.840 -0.020 0.000 0.757 449 L CB -0.085 41.973 42.059 -0.002 0.000 0.899 449 L HN 0.138 nan 8.230 nan 0.000 0.434 450 N N -1.696 117.036 118.700 0.052 0.000 3.506 450 N HA 0.022 4.762 4.740 0.000 0.000 0.174 450 N C -2.111 173.435 175.510 0.060 0.000 1.488 450 N CA -0.540 52.537 53.050 0.045 0.000 0.834 450 N CB 0.563 39.072 38.487 0.036 0.000 1.677 450 N HN -0.207 nan 8.380 nan 0.000 0.654 451 P HA -0.173 nan 4.420 nan 0.000 0.217 451 P C 0.827 178.173 177.300 0.077 0.000 1.148 451 P CA 1.243 64.409 63.100 0.110 0.000 0.828 451 P CB 0.646 32.424 31.700 0.131 0.000 0.783 452 E N 0.176 120.401 120.200 0.041 0.000 2.015 452 E HA -0.155 4.195 4.350 0.000 0.000 0.191 452 E C 2.327 178.927 176.600 -0.000 0.000 0.991 452 E CA 0.982 57.394 56.400 0.019 0.000 0.802 452 E CB -0.605 29.099 29.700 0.005 0.000 0.759 452 E HN 0.301 nan 8.360 nan 0.000 0.447 453 R N -0.027 120.463 120.500 -0.018 0.000 2.153 453 R HA 0.004 4.344 4.340 0.000 0.000 0.218 453 R C 0.029 176.279 176.300 -0.084 0.000 1.072 453 R CA 0.585 56.651 56.100 -0.056 0.000 0.990 453 R CB 0.276 30.535 30.300 -0.069 0.000 0.889 453 R HN 0.082 nan 8.270 nan 0.000 0.452 454 c N 0.469 119.029 118.600 -0.066 0.000 2.346 454 c HA 0.408 4.978 4.570 0.000 0.000 0.326 454 c C -0.061 173.990 174.090 -0.064 0.000 1.224 454 c CA -0.721 55.501 56.329 -0.178 0.000 1.408 454 c CB 1.545 43.872 42.510 -0.306 0.000 2.089 454 c HN 0.502 nan 8.230 nan 0.000 0.456 455 Q N 0.339 120.094 119.800 -0.076 0.000 2.073 455 Q HA 0.197 4.537 4.340 0.000 0.000 0.215 455 Q C -1.038 175.006 176.000 0.074 0.000 0.776 455 Q CA 0.058 55.904 55.803 0.071 0.000 1.008 455 Q CB 1.274 30.069 28.738 0.095 0.000 1.196 455 Q HN 0.796 nan 8.270 nan 0.000 0.458 456 Y N 0.461 120.639 120.300 -0.203 0.000 2.400 456 Y HA 0.370 4.920 4.550 0.000 0.000 0.335 456 Y C -1.670 174.082 175.900 -0.246 0.000 1.066 456 Y CA -1.030 56.986 58.100 -0.139 0.000 1.285 456 Y CB 0.668 39.063 38.460 -0.109 0.000 1.103 456 Y HN -0.067 nan 8.280 nan 0.000 0.490 457 Y N 2.111 122.356 120.300 -0.093 0.000 2.487 457 Y HA 0.702 5.252 4.550 0.000 0.000 0.337 457 Y C 0.339 176.200 175.900 -0.065 0.000 1.076 457 Y CA -0.526 57.534 58.100 -0.067 0.000 1.115 457 Y CB 2.204 40.587 38.460 -0.129 0.000 1.235 457 Y HN 0.496 nan 8.280 nan 0.000 0.468 458 S N 0.484 116.294 115.700 0.182 0.000 2.661 458 S HA 0.874 5.345 4.470 0.000 0.000 0.285 458 S C -1.582 173.093 174.600 0.124 0.000 1.138 458 S CA -0.809 57.474 58.200 0.139 0.000 0.855 458 S CB 1.886 65.186 63.200 0.167 0.000 1.136 458 S HN 0.630 nan 8.310 nan 0.000 0.484 459 V N 0.160 120.143 119.914 0.115 0.000 3.087 459 V HA 0.834 4.954 4.120 0.000 0.000 0.306 459 V C -1.371 174.795 176.094 0.120 0.000 1.187 459 V CA -0.239 62.096 62.300 0.059 0.000 0.999 459 V CB 2.308 34.086 31.823 -0.075 0.000 1.049 459 V HN 1.194 nan 8.190 nan 0.000 0.431 460 S N 4.857 120.614 115.700 0.095 0.000 2.774 460 S HA 0.697 5.168 4.470 0.000 0.000 0.297 460 S C -1.183 173.506 174.600 0.149 0.000 1.143 460 S CA -0.354 57.988 58.200 0.236 0.000 1.090 460 S CB 0.374 63.785 63.200 0.353 0.000 1.019 460 S HN 0.493 nan 8.310 nan 0.000 0.482 461 F N 2.933 122.879 119.950 -0.006 0.000 2.377 461 F HA 0.468 4.995 4.527 0.000 0.000 0.328 461 F C 1.401 176.707 175.800 -0.824 0.000 1.094 461 F CA -0.299 57.518 58.000 -0.305 0.000 1.093 461 F CB 1.475 40.306 39.000 -0.282 0.000 1.214 461 F HN 0.631 nan 8.300 nan 0.000 0.518 462 S N 1.615 116.665 115.700 -1.083 0.000 2.626 462 S HA 0.165 4.635 4.470 0.000 0.000 0.257 462 S C 1.235 175.600 174.600 -0.392 0.000 1.288 462 S CA -0.788 56.636 58.200 -1.293 0.000 0.980 462 S CB 0.703 63.215 63.200 -1.146 0.000 0.975 462 S HN 0.519 nan 8.310 nan 0.000 0.577 463 K N 0.965 121.272 120.400 -0.154 0.000 2.089 463 K HA -0.104 4.217 4.320 0.000 0.000 0.210 463 K C 1.056 177.630 176.600 -0.043 0.000 1.048 463 K CA 1.664 57.938 56.287 -0.021 0.000 0.926 463 K CB -0.426 32.106 32.500 0.054 0.000 0.714 463 K HN 0.714 nan 8.250 nan 0.000 0.448 464 E N -0.756 119.390 120.200 -0.089 0.000 2.569 464 E HA 0.221 4.572 4.350 0.000 0.000 0.205 464 E C -0.227 176.299 176.600 -0.125 0.000 1.006 464 E CA 0.039 56.393 56.400 -0.077 0.000 0.985 464 E CB 0.576 30.240 29.700 -0.059 0.000 1.060 464 E HN 0.207 nan 8.360 nan 0.000 0.460 465 A N 1.851 124.577 122.820 -0.158 0.000 2.745 465 A HA -0.300 4.020 4.320 0.000 0.000 0.296 465 A C 1.414 178.921 177.584 -0.127 0.000 1.500 465 A CA 1.601 53.563 52.037 -0.125 0.000 0.766 465 A CB -1.920 16.839 19.000 -0.402 0.000 1.030 465 A HN 0.289 nan 8.150 nan 0.000 0.489 466 K N -1.865 118.386 120.400 -0.248 0.000 2.305 466 K HA 0.177 4.497 4.320 0.000 0.000 0.199 466 K C 0.035 176.201 176.600 -0.724 0.000 1.047 466 K CA 1.217 57.224 56.287 -0.467 0.000 0.976 466 K CB 0.064 32.208 32.500 -0.593 0.000 0.765 466 K HN 0.702 nan 8.250 nan 0.000 0.474 467 Y N -1.220 118.993 120.300 -0.145 0.000 2.644 467 Y HA 0.337 4.888 4.550 0.000 0.000 0.338 467 Y C -1.075 174.714 175.900 -0.186 0.000 1.119 467 Y CA -1.373 56.645 58.100 -0.136 0.000 1.060 467 Y CB 1.610 40.047 38.460 -0.038 0.000 1.294 467 Y HN -0.038 nan 8.280 nan 0.000 0.472 468 Y N -1.224 119.020 120.300 -0.094 0.000 2.521 468 Y HA 0.459 5.009 4.550 0.000 0.000 0.332 468 Y C -1.398 174.457 175.900 -0.075 0.000 1.121 468 Y CA -1.438 56.414 58.100 -0.413 0.000 1.037 468 Y CB 1.427 39.040 38.460 -1.412 0.000 1.330 468 Y HN 0.596 nan 8.280 nan 0.000 0.452 469 Q N 4.100 123.976 119.800 0.125 0.000 2.314 469 Q HA 0.531 4.871 4.340 0.000 0.000 0.259 469 Q C -1.705 174.355 176.000 0.100 0.000 0.951 469 Q CA -0.629 55.229 55.803 0.092 0.000 0.909 469 Q CB 1.210 29.986 28.738 0.063 0.000 1.236 469 Q HN 0.961 nan 8.270 nan 0.000 0.444 470 L N 4.505 125.797 121.223 0.115 0.000 2.312 470 L HA 0.478 4.818 4.340 0.000 0.000 0.281 470 L C -0.181 176.755 176.870 0.110 0.000 1.070 470 L CA -0.454 54.449 54.840 0.104 0.000 0.805 470 L CB 1.052 43.126 42.059 0.026 0.000 1.174 470 L HN 0.641 nan 8.230 nan 0.000 0.434 471 R N 2.728 123.287 120.500 0.099 0.000 2.358 471 R HA 0.271 4.611 4.340 0.000 0.000 0.309 471 R C -0.994 175.189 176.300 -0.195 0.000 1.026 471 R CA -0.525 55.480 56.100 -0.157 0.000 0.909 471 R CB 1.380 31.684 30.300 0.007 0.000 1.153 471 R HN 0.558 nan 8.270 nan 0.000 0.515 472 c N 2.966 121.332 118.600 -0.391 0.000 2.373 472 c HA 0.297 4.867 4.570 0.000 0.000 0.354 472 c C 1.474 175.331 174.090 -0.387 0.000 1.249 472 c CA -0.284 55.706 56.329 -0.566 0.000 1.784 472 c CB -0.240 41.916 42.510 -0.591 0.000 2.408 472 c HN 0.959 nan 8.230 nan 0.000 0.542 473 S N 3.866 119.429 115.700 -0.229 0.000 2.593 473 S HA 0.600 5.070 4.470 0.000 0.000 0.236 473 S C 0.452 175.014 174.600 -0.064 0.000 0.991 473 S CA 0.197 58.330 58.200 -0.112 0.000 0.963 473 S CB 0.072 63.245 63.200 -0.045 0.000 0.865 473 S HN 1.794 nan 8.310 nan 0.000 0.488 474 G N 1.736 110.479 108.800 -0.095 0.000 2.316 474 G HA2 0.395 4.355 3.960 0.000 0.000 0.296 474 G HA3 0.395 4.355 3.960 0.000 0.000 0.296 474 G C -3.001 171.867 174.900 -0.053 0.000 1.399 474 G CA -0.537 44.548 45.100 -0.025 0.000 0.833 474 G HN -0.124 nan 8.290 nan 0.000 0.565 475 P HA 0.121 nan 4.420 nan 0.000 0.229 475 P C 1.303 178.620 177.300 0.028 0.000 1.160 475 P CA 1.337 64.459 63.100 0.037 0.000 0.777 475 P CB 0.385 32.102 31.700 0.028 0.000 0.814 476 G N 0.512 109.264 108.800 -0.080 0.000 2.508 476 G HA2 0.376 4.336 3.960 0.000 0.000 0.278 476 G HA3 0.376 4.336 3.960 0.000 0.000 0.278 476 G C -0.208 174.468 174.900 -0.374 0.000 1.389 476 G CA -0.715 44.263 45.100 -0.204 0.000 1.050 476 G HN 0.041 nan 8.290 nan 0.000 0.522 477 L N 1.071 122.001 121.223 -0.488 0.000 2.456 477 L HA 0.167 4.507 4.340 0.000 0.000 0.272 477 L C -1.904 174.821 176.870 -0.242 0.000 1.189 477 L CA -1.313 53.216 54.840 -0.518 0.000 0.846 477 L CB 0.762 42.578 42.059 -0.404 0.000 1.111 477 L HN 0.230 nan 8.230 nan 0.000 0.475 478 P HA -0.020 nan 4.420 nan 0.000 0.261 478 P C -0.897 176.329 177.300 -0.123 0.000 1.173 478 P CA 0.144 63.176 63.100 -0.112 0.000 0.760 478 P CB 0.463 32.201 31.700 0.064 0.000 0.783 479 L N 5.945 126.994 121.223 -0.289 0.000 2.381 479 L HA 0.488 4.828 4.340 0.000 0.000 0.274 479 L C -1.683 174.972 176.870 -0.358 0.000 0.988 479 L CA -0.750 53.979 54.840 -0.186 0.000 0.824 479 L CB 0.942 42.932 42.059 -0.114 0.000 1.263 479 L HN 0.223 nan 8.230 nan 0.000 0.410 480 Y N 2.892 123.170 120.300 -0.037 0.000 2.328 480 Y HA 0.714 5.264 4.550 0.000 0.000 0.337 480 Y C 0.546 176.359 175.900 -0.145 0.000 0.966 480 Y CA -0.557 57.498 58.100 -0.076 0.000 1.136 480 Y CB 1.927 40.312 38.460 -0.124 0.000 1.170 480 Y HN 0.689 nan 8.280 nan 0.000 0.470 481 T N 1.271 115.838 114.554 0.020 0.000 2.930 481 T HA 0.716 5.066 4.350 0.000 0.000 0.290 481 T C -1.212 173.429 174.700 -0.099 0.000 1.052 481 T CA -0.986 61.076 62.100 -0.062 0.000 1.017 481 T CB 1.933 70.826 68.868 0.041 0.000 1.137 481 T HN 0.544 nan 8.240 nan 0.000 0.511 482 L N 1.622 122.667 121.223 -0.297 0.000 2.362 482 L HA 0.608 4.948 4.340 0.000 0.000 0.275 482 L C -1.337 175.243 176.870 -0.483 0.000 0.998 482 L CA -0.732 53.963 54.840 -0.242 0.000 0.820 482 L CB 1.587 43.520 42.059 -0.209 0.000 1.270 482 L HN 0.900 nan 8.230 nan 0.000 0.415 483 H N 0.599 119.400 119.070 -0.448 0.000 2.865 483 H HA 0.465 5.021 4.556 0.000 0.000 0.372 483 H C -0.467 174.619 175.328 -0.403 0.000 1.173 483 H CA -0.691 55.019 56.048 -0.563 0.000 1.147 483 H CB 2.002 31.125 29.762 -1.065 0.000 1.805 483 H HN 0.470 nan 8.280 nan 0.000 0.553 484 S N 0.089 115.748 115.700 -0.068 0.000 2.451 484 S HA 0.265 4.735 4.470 0.000 0.000 0.301 484 S C 0.461 175.036 174.600 -0.043 0.000 1.116 484 S CA -0.747 57.437 58.200 -0.027 0.000 1.093 484 S CB 1.671 64.898 63.200 0.046 0.000 1.017 484 S HN 0.561 nan 8.310 nan 0.000 0.482 485 S N 2.020 117.694 115.700 -0.044 0.000 2.402 485 S HA -0.102 4.368 4.470 0.000 0.000 0.229 485 S C 1.906 176.525 174.600 0.033 0.000 1.021 485 S CA 0.888 59.154 58.200 0.110 0.000 0.974 485 S CB -0.423 62.828 63.200 0.085 0.000 0.800 485 S HN 0.650 nan 8.310 nan 0.000 0.484 486 V N 2.626 122.515 119.914 -0.042 0.000 2.250 486 V HA -0.258 3.862 4.120 0.000 0.000 0.250 486 V C 1.132 177.226 176.094 -0.000 0.000 1.060 486 V CA 2.130 64.419 62.300 -0.019 0.000 1.030 486 V CB -0.387 31.416 31.823 -0.032 0.000 0.643 486 V HN 0.575 nan 8.190 nan 0.000 0.445 487 N N -1.511 117.190 118.700 0.003 0.000 2.177 487 N HA 0.104 4.844 4.740 0.000 0.000 0.218 487 N C -0.495 175.024 175.510 0.015 0.000 1.182 487 N CA 0.386 53.439 53.050 0.005 0.000 0.882 487 N CB 0.542 39.033 38.487 0.007 0.000 1.052 487 N HN 0.370 nan 8.380 nan 0.000 0.519 488 D N 1.548 121.975 120.400 0.046 0.000 2.723 488 D HA -0.132 4.508 4.640 0.000 0.000 0.236 488 D C -0.594 175.751 176.300 0.075 0.000 1.138 488 D CA 1.309 55.366 54.000 0.095 0.000 0.676 488 D CB -0.864 39.969 40.800 0.055 0.000 1.069 488 D HN 0.349 nan 8.370 nan 0.000 0.430 489 K N -0.115 120.309 120.400 0.040 0.000 2.098 489 K HA 0.577 4.897 4.320 0.000 0.000 0.261 489 K C 1.013 177.592 176.600 -0.035 0.000 0.987 489 K CA -0.370 55.923 56.287 0.011 0.000 0.916 489 K CB 1.133 33.628 32.500 -0.009 0.000 1.039 489 K HN 0.082 nan 8.250 nan 0.000 0.455 490 G N 1.959 110.699 108.800 -0.100 0.000 2.338 490 G HA2 0.248 4.208 3.960 0.000 0.000 0.295 490 G HA3 0.248 4.208 3.960 0.000 0.000 0.295 490 G C 0.458 175.191 174.900 -0.278 0.000 1.132 490 G CA -0.508 44.365 45.100 -0.378 0.000 0.922 490 G HN 0.547 nan 8.290 nan 0.000 0.427 491 L N 1.808 122.838 121.223 -0.321 0.000 2.084 491 L HA 0.282 4.622 4.340 0.000 0.000 0.202 491 L C 1.516 178.291 176.870 -0.159 0.000 1.074 491 L CA 0.843 55.580 54.840 -0.172 0.000 0.757 491 L CB -0.283 41.700 42.059 -0.126 0.000 0.918 491 L HN 0.718 nan 8.230 nan 0.000 0.444 492 R N -2.039 118.331 120.500 -0.215 0.000 2.753 492 R HA 0.430 4.770 4.340 0.000 0.000 0.272 492 R C -1.555 174.628 176.300 -0.195 0.000 1.034 492 R CA -0.906 55.097 56.100 -0.162 0.000 0.869 492 R CB 1.207 31.447 30.300 -0.100 0.000 1.264 492 R HN -0.285 nan 8.270 nan 0.000 0.481 493 V N 2.877 122.706 119.914 -0.142 0.000 2.614 493 V HA 0.139 4.259 4.120 0.000 0.000 0.291 493 V C 1.179 177.168 176.094 -0.174 0.000 1.049 493 V CA -0.227 61.993 62.300 -0.133 0.000 1.038 493 V CB 1.124 32.904 31.823 -0.072 0.000 0.980 493 V HN 0.655 nan 8.190 nan 0.000 0.481 494 L N 2.275 123.338 121.223 -0.266 0.000 2.408 494 L HA 0.359 4.699 4.340 0.000 0.000 0.215 494 L C 0.529 177.252 176.870 -0.246 0.000 1.081 494 L CA 0.468 54.993 54.840 -0.524 0.000 0.840 494 L CB 0.306 41.652 42.059 -1.189 0.000 1.002 494 L HN 0.729 nan 8.230 nan 0.000 0.468 495 E N 0.173 120.349 120.200 -0.041 0.000 2.683 495 E HA 0.060 4.410 4.350 0.000 0.000 0.339 495 E C -1.254 175.435 176.600 0.148 0.000 0.921 495 E CA -0.333 56.133 56.400 0.110 0.000 0.786 495 E CB 0.709 30.518 29.700 0.180 0.000 1.363 495 E HN 0.184 nan 8.360 nan 0.000 0.401 496 D N 2.899 123.349 120.400 0.084 0.000 2.395 496 D HA 0.176 4.816 4.640 0.000 0.000 0.213 496 D C -0.250 176.077 176.300 0.045 0.000 1.110 496 D CA -0.315 53.716 54.000 0.051 0.000 0.835 496 D CB 0.008 40.817 40.800 0.015 0.000 0.965 496 D HN 0.415 nan 8.370 nan 0.000 0.505 497 N N 0.473 119.220 118.700 0.079 0.000 2.727 497 N HA -0.208 4.532 4.740 0.000 0.000 0.249 497 N C 0.816 176.346 175.510 0.034 0.000 1.048 497 N CA 0.912 54.001 53.050 0.065 0.000 0.714 497 N CB -1.136 37.383 38.487 0.054 0.000 0.959 497 N HN 0.513 nan 8.380 nan 0.000 0.544 498 S N -1.415 114.306 115.700 0.036 0.000 2.428 498 S HA 0.046 4.516 4.470 0.000 0.000 0.230 498 S C 2.058 176.682 174.600 0.039 0.000 1.014 498 S CA 0.693 58.909 58.200 0.026 0.000 0.957 498 S CB 0.053 63.268 63.200 0.025 0.000 0.784 498 S HN 0.511 nan 8.310 nan 0.000 0.499 499 A N 2.250 125.102 122.820 0.053 0.000 1.858 499 A HA 0.068 4.389 4.320 0.000 0.000 0.216 499 A C 2.207 179.842 177.584 0.085 0.000 1.190 499 A CA 1.570 53.645 52.037 0.064 0.000 0.617 499 A CB -0.980 18.059 19.000 0.065 0.000 0.827 499 A HN 0.497 nan 8.150 nan 0.000 0.443 500 L N 0.420 121.699 121.223 0.093 0.000 2.042 500 L HA -0.177 4.163 4.340 0.000 0.000 0.210 500 L C 1.865 178.790 176.870 0.092 0.000 1.076 500 L CA 2.782 57.699 54.840 0.128 0.000 0.749 500 L CB -0.846 41.284 42.059 0.118 0.000 0.893 500 L HN 0.508 nan 8.230 nan 0.000 0.432 501 D N -1.089 119.333 120.400 0.036 0.000 2.182 501 D HA -0.217 4.423 4.640 0.000 0.000 0.201 501 D C 2.009 178.330 176.300 0.035 0.000 0.986 501 D CA 1.018 55.022 54.000 0.007 0.000 0.847 501 D CB 0.141 40.930 40.800 -0.017 0.000 0.942 501 D HN 0.105 nan 8.370 nan 0.000 0.467 502 K N -0.667 119.767 120.400 0.056 0.000 2.167 502 K HA 0.123 4.443 4.320 0.000 0.000 0.203 502 K C 1.975 178.636 176.600 0.102 0.000 1.052 502 K CA 0.580 56.905 56.287 0.064 0.000 0.956 502 K CB -0.068 32.467 32.500 0.057 0.000 0.735 502 K HN 0.253 nan 8.250 nan 0.000 0.451 503 M N -0.314 119.375 119.600 0.149 0.000 2.099 503 M HA -0.105 4.375 4.480 0.000 0.000 0.262 503 M C 1.698 178.158 176.300 0.266 0.000 1.067 503 M CA 1.539 56.999 55.300 0.267 0.000 1.124 503 M CB -0.225 32.618 32.600 0.405 0.000 1.353 503 M HN 0.027 nan 8.290 nan 0.000 0.410 504 L N 0.158 121.460 121.223 0.131 0.000 2.291 504 L HA -0.172 4.168 4.340 0.000 0.000 0.214 504 L C 2.563 179.437 176.870 0.007 0.000 1.120 504 L CA 0.736 55.567 54.840 -0.015 0.000 0.799 504 L CB -0.746 41.282 42.059 -0.052 0.000 0.925 504 L HN 0.453 nan 8.230 nan 0.000 0.446 505 Q N 0.067 119.889 119.800 0.036 0.000 2.364 505 Q HA -0.242 4.098 4.340 0.000 0.000 0.209 505 Q C 1.575 177.604 176.000 0.049 0.000 0.977 505 Q CA 1.891 57.713 55.803 0.033 0.000 0.885 505 Q CB -0.571 28.188 28.738 0.035 0.000 0.941 505 Q HN 0.495 nan 8.270 nan 0.000 0.464 506 N N 0.852 119.596 118.700 0.073 0.000 2.376 506 N HA -0.054 4.686 4.740 0.000 0.000 0.177 506 N C 0.512 176.073 175.510 0.085 0.000 1.024 506 N CA 0.668 53.773 53.050 0.093 0.000 0.893 506 N CB 0.580 39.152 38.487 0.142 0.000 0.980 506 N HN 0.294 nan 8.380 nan 0.000 0.439 507 V N -1.363 118.581 119.914 0.050 0.000 2.966 507 V HA 0.423 4.543 4.120 0.000 0.000 0.317 507 V C -0.464 175.643 176.094 0.022 0.000 1.070 507 V CA -0.871 61.451 62.300 0.036 0.000 1.008 507 V CB 1.584 33.387 31.823 -0.033 0.000 1.070 507 V HN 0.068 nan 8.190 nan 0.000 0.457 508 Q N 3.367 123.189 119.800 0.036 0.000 2.566 508 Q HA 0.401 4.741 4.340 0.000 0.000 0.221 508 Q C -0.522 175.454 176.000 -0.040 0.000 1.195 508 Q CA -0.349 55.454 55.803 -0.000 0.000 0.967 508 Q CB 0.875 29.634 28.738 0.035 0.000 1.337 508 Q HN 0.651 nan 8.270 nan 0.000 0.553 509 M N 3.647 123.207 119.600 -0.067 0.000 2.242 509 M HA 0.326 4.807 4.480 0.000 0.000 0.344 509 M C -2.003 174.228 176.300 -0.114 0.000 1.140 509 M CA -2.130 53.117 55.300 -0.087 0.000 1.160 509 M CB 0.091 32.648 32.600 -0.071 0.000 1.491 509 M HN 0.309 nan 8.290 nan 0.000 0.459 510 P HA 0.268 nan 4.420 nan 0.000 0.278 510 P C -0.825 176.395 177.300 -0.134 0.000 1.258 510 P CA -0.379 62.634 63.100 -0.145 0.000 0.811 510 P CB 0.891 32.498 31.700 -0.156 0.000 1.063 511 S N 0.049 115.654 115.700 -0.159 0.000 2.747 511 S HA 0.617 5.087 4.470 0.000 0.000 0.300 511 S C -0.456 174.047 174.600 -0.162 0.000 1.121 511 S CA -0.677 57.440 58.200 -0.138 0.000 0.995 511 S CB 1.522 64.636 63.200 -0.144 0.000 1.113 511 S HN 0.536 nan 8.310 nan 0.000 0.547 512 K N 0.247 120.573 120.400 -0.124 0.000 2.443 512 K HA 0.424 4.745 4.320 0.000 0.000 0.252 512 K C -1.552 174.983 176.600 -0.108 0.000 0.933 512 K CA -0.526 55.690 56.287 -0.117 0.000 0.792 512 K CB 1.581 34.041 32.500 -0.068 0.000 1.185 512 K HN 0.723 nan 8.250 nan 0.000 0.425 513 K N 5.250 125.575 120.400 -0.125 0.000 2.274 513 K HA 0.365 4.686 4.320 0.000 0.000 0.262 513 K C -1.466 175.083 176.600 -0.085 0.000 0.961 513 K CA -0.723 55.500 56.287 -0.107 0.000 0.833 513 K CB 1.148 33.563 32.500 -0.142 0.000 1.102 513 K HN 0.567 nan 8.250 nan 0.000 0.436 514 L N 4.634 125.822 121.223 -0.059 0.000 2.345 514 L HA 0.402 4.742 4.340 0.000 0.000 0.274 514 L C -1.323 175.534 176.870 -0.020 0.000 0.999 514 L CA -0.211 54.622 54.840 -0.012 0.000 0.849 514 L CB 1.074 43.192 42.059 0.099 0.000 1.220 514 L HN 0.831 nan 8.230 nan 0.000 0.422 515 D N 3.205 123.376 120.400 -0.382 0.000 2.867 515 D HA 0.577 5.217 4.640 0.000 0.000 0.308 515 D C -1.394 174.503 176.300 -0.671 0.000 1.202 515 D CA 0.020 53.708 54.000 -0.520 0.000 1.035 515 D CB 2.026 42.526 40.800 -0.500 0.000 1.427 515 D HN 0.247 nan 8.370 nan 0.000 0.570 516 F N -0.505 119.109 119.950 -0.561 0.000 2.662 516 F HA 0.685 5.212 4.527 0.000 0.000 0.312 516 F C -1.093 174.754 175.800 0.078 0.000 1.113 516 F CA -1.146 56.649 58.000 -0.342 0.000 0.951 516 F CB 0.961 39.346 39.000 -1.026 0.000 1.344 516 F HN 0.292 nan 8.300 nan 0.000 0.462 517 I N 0.285 121.195 120.570 0.566 0.000 2.740 517 I HA 0.685 4.856 4.170 0.000 0.000 0.303 517 I C -1.360 175.040 176.117 0.472 0.000 1.044 517 I CA -1.276 60.285 61.300 0.435 0.000 1.064 517 I CB 2.439 40.657 38.000 0.363 0.000 1.249 517 I HN 0.651 nan 8.210 nan 0.000 0.433 518 I N 5.246 126.017 120.570 0.336 0.000 2.312 518 I HA 0.426 4.596 4.170 0.000 0.000 0.290 518 I C -0.713 175.543 176.117 0.231 0.000 1.008 518 I CA -0.423 61.032 61.300 0.259 0.000 1.226 518 I CB 1.296 39.408 38.000 0.187 0.000 1.371 518 I HN 0.383 nan 8.210 nan 0.000 0.468 519 L N 6.300 127.710 121.223 0.311 0.000 2.341 519 L HA 0.440 4.781 4.340 0.000 0.000 0.278 519 L C -0.152 176.852 176.870 0.223 0.000 1.005 519 L CA -0.990 54.008 54.840 0.264 0.000 0.818 519 L CB 1.475 43.722 42.059 0.313 0.000 1.259 519 L HN 0.591 nan 8.230 nan 0.000 0.418 520 N N 4.075 122.850 118.700 0.125 0.000 2.725 520 N HA -0.245 4.495 4.740 0.000 0.000 0.280 520 N C 0.347 175.899 175.510 0.070 0.000 1.017 520 N CA 1.051 54.151 53.050 0.082 0.000 0.813 520 N CB -0.687 37.839 38.487 0.065 0.000 0.931 520 N HN 0.727 nan 8.380 nan 0.000 0.570 521 E N -4.316 115.913 120.200 0.048 0.000 4.067 521 E HA -0.210 4.140 4.350 0.000 0.000 0.346 521 E C -0.116 176.466 176.600 -0.031 0.000 0.613 521 E CA 1.909 58.316 56.400 0.011 0.000 1.252 521 E CB -1.608 28.092 29.700 -0.000 0.000 1.731 521 E HN 0.648 nan 8.360 nan 0.000 0.406 522 T N 1.929 116.464 114.554 -0.032 0.000 2.895 522 T HA 0.466 4.816 4.350 0.000 0.000 0.283 522 T C 0.265 174.783 174.700 -0.303 0.000 1.014 522 T CA -0.742 61.224 62.100 -0.225 0.000 1.037 522 T CB 2.115 70.758 68.868 -0.375 0.000 1.006 522 T HN 0.142 nan 8.240 nan 0.000 0.468 523 K N 2.027 122.145 120.400 -0.471 0.000 2.185 523 K HA 0.507 4.827 4.320 0.000 0.000 0.269 523 K C -1.585 174.685 176.600 -0.550 0.000 0.987 523 K CA -0.556 55.462 56.287 -0.447 0.000 0.865 523 K CB 0.882 32.851 32.500 -0.885 0.000 1.090 523 K HN 0.424 nan 8.250 nan 0.000 0.450 524 F N 2.085 122.055 119.950 0.034 0.000 2.493 524 F HA 0.345 4.872 4.527 0.000 0.000 0.329 524 F C -0.605 175.258 175.800 0.104 0.000 1.126 524 F CA -0.773 57.260 58.000 0.055 0.000 0.937 524 F CB 1.044 40.078 39.000 0.056 0.000 1.146 524 F HN 0.529 nan 8.300 nan 0.000 0.442 525 W N 3.647 125.045 121.300 0.164 0.000 2.237 525 W HA 0.475 5.135 4.660 0.000 0.000 0.335 525 W C -0.520 176.135 176.519 0.227 0.000 1.230 525 W CA -0.403 57.061 57.345 0.198 0.000 1.253 525 W CB 0.443 29.964 29.460 0.102 0.000 1.129 525 W HN 0.449 nan 8.180 nan 0.000 0.590 526 Y N -0.636 119.970 120.300 0.510 0.000 2.638 526 Y HA 0.609 5.159 4.550 0.000 0.000 0.335 526 Y C -1.040 175.074 175.900 0.357 0.000 1.155 526 Y CA -1.926 56.468 58.100 0.490 0.000 1.046 526 Y CB 0.968 39.895 38.460 0.777 0.000 1.303 526 Y HN 0.577 nan 8.280 nan 0.000 0.460 527 Q N 2.058 122.108 119.800 0.417 0.000 2.456 527 Q HA 0.809 5.149 4.340 0.000 0.000 0.283 527 Q C -1.855 174.276 176.000 0.217 0.000 1.084 527 Q CA -1.218 54.698 55.803 0.189 0.000 0.801 527 Q CB 3.410 32.225 28.738 0.128 0.000 1.434 527 Q HN 0.871 nan 8.270 nan 0.000 0.419 528 M N 2.053 121.688 119.600 0.058 0.000 2.324 528 M HA 0.408 4.889 4.480 0.000 0.000 0.288 528 M C -1.437 174.781 176.300 -0.137 0.000 1.097 528 M CA -0.854 54.410 55.300 -0.061 0.000 0.928 528 M CB 2.287 34.794 32.600 -0.154 0.000 1.648 528 M HN 0.602 nan 8.290 nan 0.000 0.460 529 I N 5.133 125.623 120.570 -0.133 0.000 2.301 529 I HA 0.336 4.507 4.170 0.000 0.000 0.292 529 I C -0.454 175.513 176.117 -0.252 0.000 1.046 529 I CA -0.231 60.971 61.300 -0.165 0.000 1.282 529 I CB 0.043 37.970 38.000 -0.122 0.000 1.409 529 I HN 0.629 nan 8.210 nan 0.000 0.484 530 L N 8.428 129.449 121.223 -0.337 0.000 2.295 530 L HA 0.443 4.783 4.340 0.000 0.000 0.285 530 L C -2.186 174.489 176.870 -0.324 0.000 1.035 530 L CA -1.796 52.749 54.840 -0.492 0.000 0.806 530 L CB 1.247 42.823 42.059 -0.804 0.000 1.214 530 L HN 0.259 nan 8.230 nan 0.000 0.426 531 P HA 0.074 nan 4.420 nan 0.000 0.267 531 P C -2.449 174.804 177.300 -0.078 0.000 1.200 531 P CA -0.788 62.243 63.100 -0.114 0.000 0.772 531 P CB -0.050 31.648 31.700 -0.003 0.000 0.855 532 P HA -0.024 nan 4.420 nan 0.000 0.268 532 P C -0.558 176.621 177.300 -0.203 0.000 1.208 532 P CA 0.424 63.353 63.100 -0.284 0.000 0.777 532 P CB -0.297 31.163 31.700 -0.400 0.000 0.875 533 H N -1.692 117.422 119.070 0.073 0.000 2.692 533 H HA -0.225 4.331 4.556 0.000 0.000 0.316 533 H C -0.175 175.223 175.328 0.116 0.000 1.176 533 H CA -0.325 55.770 56.048 0.078 0.000 1.142 533 H CB -2.300 27.497 29.762 0.058 0.000 1.475 533 H HN 0.307 nan 8.280 nan 0.000 0.423 534 F N 2.443 122.393 119.950 -0.001 0.000 2.557 534 F HA 0.106 4.633 4.527 0.000 0.000 0.384 534 F C 0.504 176.328 175.800 0.041 0.000 1.057 534 F CA -0.475 57.485 58.000 -0.067 0.000 1.169 534 F CB 0.385 39.218 39.000 -0.278 0.000 1.070 534 F HN 0.283 nan 8.300 nan 0.000 0.554 535 D N 6.122 126.277 120.400 -0.409 0.000 2.441 535 D HA 0.130 4.770 4.640 0.000 0.000 0.231 535 D C 0.607 176.605 176.300 -0.503 0.000 1.073 535 D CA -0.622 53.184 54.000 -0.323 0.000 0.850 535 D CB 0.954 41.690 40.800 -0.107 0.000 1.062 535 D HN 0.673 nan 8.370 nan 0.000 0.524 536 K N 1.491 121.604 120.400 -0.479 0.000 2.585 536 K HA -0.093 4.227 4.320 0.000 0.000 0.194 536 K C 1.260 177.863 176.600 0.005 0.000 1.037 536 K CA 0.543 56.723 56.287 -0.178 0.000 0.964 536 K CB 0.112 32.682 32.500 0.117 0.000 0.787 536 K HN 0.148 nan 8.250 nan 0.000 0.488 537 S N 0.567 116.231 115.700 -0.060 0.000 2.446 537 S HA -0.028 4.442 4.470 0.000 0.000 0.225 537 S C 0.709 175.275 174.600 -0.056 0.000 1.016 537 S CA -0.056 58.123 58.200 -0.036 0.000 0.943 537 S CB 0.063 63.235 63.200 -0.048 0.000 0.786 537 S HN 0.436 nan 8.310 nan 0.000 0.508 538 K N 1.206 121.543 120.400 -0.106 0.000 2.087 538 K HA 0.273 4.594 4.320 0.000 0.000 0.255 538 K C -1.024 175.488 176.600 -0.146 0.000 0.988 538 K CA -0.516 55.648 56.287 -0.206 0.000 0.915 538 K CB 0.592 32.842 32.500 -0.416 0.000 1.043 538 K HN 0.035 nan 8.250 nan 0.000 0.457 539 K N 2.969 123.256 120.400 -0.188 0.000 2.293 539 K HA 0.201 4.522 4.320 0.000 0.000 0.267 539 K C -1.337 175.186 176.600 -0.128 0.000 1.010 539 K CA -0.535 55.723 56.287 -0.049 0.000 0.875 539 K CB 0.834 33.303 32.500 -0.052 0.000 1.106 539 K HN 0.373 nan 8.250 nan 0.000 0.450 540 Y N 3.303 123.630 120.300 0.045 0.000 2.352 540 Y HA 0.251 4.801 4.550 0.000 0.000 0.326 540 Y C -1.870 173.981 175.900 -0.082 0.000 1.166 540 Y CA -2.562 55.540 58.100 0.003 0.000 1.182 540 Y CB 0.569 39.085 38.460 0.094 0.000 1.216 540 Y HN 0.480 nan 8.280 nan 0.000 0.474 541 P HA 0.205 nan 4.420 nan 0.000 0.274 541 P C -1.093 176.085 177.300 -0.203 0.000 1.231 541 P CA -0.254 62.587 63.100 -0.433 0.000 0.790 541 P CB 1.650 32.743 31.700 -1.011 0.000 0.951 542 L N 2.286 123.426 121.223 -0.138 0.000 2.401 542 L HA 0.571 4.911 4.340 0.000 0.000 0.266 542 L C -1.300 175.764 176.870 0.324 0.000 0.991 542 L CA -1.114 53.794 54.840 0.113 0.000 0.818 542 L CB 1.875 44.021 42.059 0.146 0.000 1.321 542 L HN 0.257 nan 8.230 nan 0.000 0.413 543 L N 5.267 126.693 121.223 0.339 0.000 2.325 543 L HA 0.470 4.810 4.340 0.000 0.000 0.281 543 L C -1.312 175.805 176.870 0.411 0.000 1.004 543 L CA -0.873 54.222 54.840 0.425 0.000 0.823 543 L CB 1.777 44.035 42.059 0.332 0.000 1.236 543 L HN 0.641 nan 8.230 nan 0.000 0.415 544 L N 5.160 126.670 121.223 0.479 0.000 2.260 544 L HA 0.345 4.685 4.340 0.000 0.000 0.289 544 L C -0.364 176.764 176.870 0.431 0.000 1.057 544 L CA 0.118 55.229 54.840 0.452 0.000 0.811 544 L CB 0.879 43.225 42.059 0.479 0.000 1.184 544 L HN 0.495 nan 8.230 nan 0.000 0.429 545 D N 4.700 125.338 120.400 0.396 0.000 2.380 545 D HA 0.231 4.871 4.640 0.000 0.000 0.230 545 D C -0.961 175.442 176.300 0.171 0.000 1.154 545 D CA 0.057 54.227 54.000 0.283 0.000 0.859 545 D CB 1.237 42.268 40.800 0.384 0.000 1.045 545 D HN 0.343 nan 8.370 nan 0.000 0.495 546 V N 5.726 125.668 119.914 0.047 0.000 2.815 546 V HA 0.493 4.613 4.120 0.000 0.000 0.314 546 V C -0.949 175.257 176.094 0.187 0.000 1.064 546 V CA -0.439 61.952 62.300 0.152 0.000 0.952 546 V CB 1.875 33.802 31.823 0.175 0.000 1.020 546 V HN 0.616 nan 8.190 nan 0.000 0.439 547 Y N 4.634 125.017 120.300 0.138 0.000 3.274 547 Y HA 0.544 5.095 4.550 0.000 0.000 0.174 547 Y C 1.419 177.472 175.900 0.254 0.000 0.880 547 Y CA 1.265 59.474 58.100 0.182 0.000 1.793 547 Y CB -0.075 38.472 38.460 0.146 0.000 1.409 547 Y HN 1.475 nan 8.280 nan 0.000 0.368 548 A N 1.030 123.930 122.820 0.133 0.000 2.979 548 A HA -0.136 4.184 4.320 0.000 0.000 0.260 548 A C 1.038 178.468 177.584 -0.257 0.000 1.282 548 A CA 1.238 53.267 52.037 -0.013 0.000 0.971 548 A CB -2.462 16.678 19.000 0.232 0.000 1.124 548 A HN 1.104 nan 8.150 nan 0.000 0.826 549 G N -0.537 107.866 108.800 -0.662 0.000 2.616 549 G HA2 0.505 4.465 3.960 0.000 0.000 0.268 549 G HA3 0.505 4.465 3.960 0.000 0.000 0.268 549 G C -1.960 172.503 174.900 -0.730 0.000 1.213 549 G CA -0.653 43.711 45.100 -1.228 0.000 0.926 549 G HN 0.393 nan 8.290 nan 0.000 0.523 550 P HA 0.042 nan 4.420 nan 0.000 0.267 550 P C 0.575 177.640 177.300 -0.392 0.000 1.205 550 P CA 0.222 62.994 63.100 -0.547 0.000 0.765 550 P CB 0.847 31.919 31.700 -1.047 0.000 0.828 551 C N 2.241 121.368 119.300 -0.288 0.000 4.456 551 C HA -0.140 4.321 4.460 0.000 0.000 0.288 551 C C 0.943 175.804 174.990 -0.215 0.000 1.374 551 C CA 1.114 59.934 59.018 -0.330 0.000 1.956 551 C CB -2.689 24.765 27.740 -0.477 0.000 1.255 551 C HN 0.814 nan 8.230 nan 0.000 0.788 552 S N 0.172 115.690 115.700 -0.305 0.000 2.632 552 S HA 0.608 5.078 4.470 0.000 0.000 0.271 552 S C -0.683 173.856 174.600 -0.101 0.000 1.260 552 S CA 0.022 57.972 58.200 -0.417 0.000 1.010 552 S CB 1.755 64.169 63.200 -1.311 0.000 0.965 552 S HN 0.827 nan 8.310 nan 0.000 0.534 553 Q N 0.302 120.158 119.800 0.092 0.000 2.275 553 Q HA 0.379 4.719 4.340 0.000 0.000 0.258 553 Q C -0.781 175.335 176.000 0.194 0.000 0.960 553 Q CA -0.630 55.290 55.803 0.195 0.000 0.801 553 Q CB 1.111 30.068 28.738 0.365 0.000 1.302 553 Q HN 0.707 nan 8.270 nan 0.000 0.433 554 K N 1.100 121.603 120.400 0.172 0.000 2.402 554 K HA 0.340 4.660 4.320 0.000 0.000 0.203 554 K C -0.491 176.220 176.600 0.186 0.000 1.077 554 K CA 0.259 56.665 56.287 0.199 0.000 1.051 554 K CB 1.660 34.298 32.500 0.230 0.000 0.907 554 K HN 0.501 nan 8.250 nan 0.000 0.554 555 A N 2.799 125.727 122.820 0.180 0.000 2.322 555 A HA 0.429 4.749 4.320 0.000 0.000 0.327 555 A C -0.801 176.848 177.584 0.107 0.000 1.394 555 A CA -0.486 51.658 52.037 0.178 0.000 0.921 555 A CB 0.026 19.184 19.000 0.263 0.000 1.153 555 A HN 0.232 nan 8.150 nan 0.000 0.523 556 D N -0.127 120.318 120.400 0.075 0.000 2.652 556 D HA 0.463 5.103 4.640 0.000 0.000 0.285 556 D C 0.409 176.723 176.300 0.024 0.000 1.173 556 D CA 0.195 54.228 54.000 0.056 0.000 0.981 556 D CB 0.492 41.324 40.800 0.053 0.000 1.440 556 D HN 0.144 nan 8.370 nan 0.000 0.485 557 T N -2.320 112.269 114.554 0.058 0.000 3.206 557 T HA 0.306 4.656 4.350 0.000 0.000 0.253 557 T C 0.411 175.087 174.700 -0.041 0.000 1.042 557 T CA -0.427 61.695 62.100 0.037 0.000 0.931 557 T CB -0.719 68.204 68.868 0.092 0.000 1.029 557 T HN 0.263 nan 8.240 nan 0.000 0.564 558 V N 2.420 122.213 119.914 -0.202 0.000 2.715 558 V HA 0.323 4.444 4.120 0.000 0.000 0.299 558 V C 0.085 176.127 176.094 -0.086 0.000 1.054 558 V CA -0.819 61.320 62.300 -0.269 0.000 1.077 558 V CB 0.156 31.710 31.823 -0.448 0.000 0.972 558 V HN 0.568 nan 8.190 nan 0.000 0.484 559 F N 6.063 125.922 119.950 -0.151 0.000 2.411 559 F HA 0.643 5.170 4.527 0.000 0.000 0.350 559 F C 0.393 176.140 175.800 -0.088 0.000 1.114 559 F CA -0.324 57.611 58.000 -0.108 0.000 1.135 559 F CB 0.462 39.406 39.000 -0.093 0.000 1.120 559 F HN 0.438 nan 8.300 nan 0.000 0.495 560 R N 5.054 124.994 120.500 -0.934 0.000 2.808 560 R HA 0.646 4.986 4.340 0.000 0.000 0.272 560 R C -2.037 173.780 176.300 -0.805 0.000 0.995 560 R CA -1.303 54.412 56.100 -0.641 0.000 0.917 560 R CB 1.933 32.051 30.300 -0.304 0.000 1.217 560 R HN 0.473 nan 8.270 nan 0.000 0.471 561 L N 3.352 124.326 121.223 -0.414 0.000 2.401 561 L HA 0.368 4.708 4.340 0.000 0.000 0.263 561 L C -1.022 175.790 176.870 -0.097 0.000 1.004 561 L CA -0.450 54.197 54.840 -0.322 0.000 0.881 561 L CB 0.631 42.630 42.059 -0.099 0.000 1.219 561 L HN 0.768 nan 8.230 nan 0.000 0.441 562 N N 0.172 118.734 118.700 -0.229 0.000 3.506 562 N HA 0.206 4.946 4.740 0.000 0.000 0.331 562 N C 0.505 175.641 175.510 -0.623 0.000 1.631 562 N CA -0.804 51.974 53.050 -0.455 0.000 0.786 562 N CB -0.030 38.354 38.487 -0.170 0.000 2.023 562 N HN 0.188 nan 8.380 nan 0.000 0.621 563 W N 0.761 121.506 121.300 -0.925 0.000 2.317 563 W HA 0.033 4.693 4.660 0.000 0.000 0.318 563 W C 2.205 178.678 176.519 -0.075 0.000 1.227 563 W CA 3.251 60.327 57.345 -0.449 0.000 1.269 563 W CB -1.138 28.230 29.460 -0.153 0.000 1.155 563 W HN 0.712 nan 8.180 nan 0.000 0.484 564 A N -0.638 122.175 122.820 -0.013 0.000 1.978 564 A HA -0.237 4.083 4.320 0.000 0.000 0.220 564 A C 1.930 179.417 177.584 -0.161 0.000 1.170 564 A CA 2.629 54.593 52.037 -0.122 0.000 0.636 564 A CB -1.304 17.713 19.000 0.029 0.000 0.810 564 A HN 0.341 nan 8.150 nan 0.000 0.448 565 T N -1.248 113.225 114.554 -0.136 0.000 2.652 565 T HA -0.209 4.141 4.350 0.000 0.000 0.267 565 T C 1.821 176.537 174.700 0.027 0.000 1.039 565 T CA 1.759 63.765 62.100 -0.156 0.000 1.153 565 T CB -0.510 68.137 68.868 -0.368 0.000 0.863 565 T HN 0.695 nan 8.240 nan 0.000 0.428 566 Y N 2.201 122.556 120.300 0.090 0.000 2.145 566 Y HA -0.051 4.499 4.550 0.000 0.000 0.286 566 Y C 1.981 177.843 175.900 -0.063 0.000 1.145 566 Y CA 0.958 59.131 58.100 0.122 0.000 1.148 566 Y CB -0.847 37.667 38.460 0.091 0.000 0.981 566 Y HN 0.120 nan 8.280 nan 0.000 0.507 567 L N 0.239 120.996 121.223 -0.775 0.000 2.079 567 L HA -0.249 4.091 4.340 0.000 0.000 0.210 567 L C 2.782 179.390 176.870 -0.438 0.000 1.081 567 L CA 1.376 55.712 54.840 -0.840 0.000 0.752 567 L CB -0.968 40.638 42.059 -0.754 0.000 0.896 567 L HN 0.443 nan 8.230 nan 0.000 0.433 568 A N -1.377 121.275 122.820 -0.281 0.000 1.878 568 A HA -0.143 4.177 4.320 0.000 0.000 0.213 568 A C 2.493 180.009 177.584 -0.114 0.000 1.192 568 A CA 1.524 53.459 52.037 -0.170 0.000 0.619 568 A CB -0.542 18.358 19.000 -0.165 0.000 0.837 568 A HN 0.299 nan 8.150 nan 0.000 0.446 569 S N -0.941 114.708 115.700 -0.086 0.000 2.343 569 S HA -0.131 4.339 4.470 0.000 0.000 0.219 569 S C 2.092 176.700 174.600 0.014 0.000 1.033 569 S CA 2.337 60.533 58.200 -0.007 0.000 1.014 569 S CB -0.497 62.759 63.200 0.092 0.000 0.915 569 S HN 0.574 nan 8.310 nan 0.000 0.435 570 T N 1.496 116.048 114.554 -0.003 0.000 2.852 570 T HA 0.117 4.467 4.350 0.000 0.000 0.256 570 T C 1.525 176.192 174.700 -0.056 0.000 1.038 570 T CA 0.822 62.939 62.100 0.028 0.000 1.141 570 T CB -0.196 68.801 68.868 0.214 0.000 0.869 570 T HN 0.305 nan 8.240 nan 0.000 0.439 571 E N 1.134 121.195 120.200 -0.233 0.000 2.478 571 E HA 0.147 4.497 4.350 0.000 0.000 0.194 571 E C 0.308 176.877 176.600 -0.052 0.000 1.045 571 E CA -0.074 56.233 56.400 -0.155 0.000 0.868 571 E CB -0.380 29.155 29.700 -0.275 0.000 0.885 571 E HN 0.536 nan 8.360 nan 0.000 0.505 572 N N 0.412 119.096 118.700 -0.027 0.000 2.754 572 N HA -0.185 4.555 4.740 0.000 0.000 0.248 572 N C -0.754 174.835 175.510 0.133 0.000 1.093 572 N CA 0.057 53.165 53.050 0.097 0.000 0.699 572 N CB -1.001 37.575 38.487 0.147 0.000 1.016 572 N HN 0.168 nan 8.380 nan 0.000 0.552 573 I N 1.233 121.805 120.570 0.004 0.000 2.392 573 I HA 0.354 4.524 4.170 0.000 0.000 0.295 573 I C 0.684 176.780 176.117 -0.035 0.000 0.985 573 I CA -0.700 60.608 61.300 0.014 0.000 1.221 573 I CB 1.483 39.487 38.000 0.006 0.000 1.366 573 I HN -0.002 nan 8.210 nan 0.000 0.467 574 I N 6.166 126.728 120.570 -0.014 0.000 2.352 574 I HA 0.177 4.347 4.170 0.000 0.000 0.290 574 I C -0.413 175.691 176.117 -0.023 0.000 1.036 574 I CA -0.455 60.792 61.300 -0.090 0.000 1.336 574 I CB 1.133 39.077 38.000 -0.094 0.000 1.407 574 I HN 0.200 nan 8.210 nan 0.000 0.497 575 V N 6.786 126.674 119.914 -0.044 0.000 2.347 575 V HA 0.604 4.724 4.120 0.000 0.000 0.280 575 V C 0.371 176.500 176.094 0.059 0.000 1.021 575 V CA -0.399 61.931 62.300 0.049 0.000 0.847 575 V CB 1.150 32.998 31.823 0.042 0.000 0.990 575 V HN 0.843 nan 8.190 nan 0.000 0.444 576 A N 4.078 126.972 122.820 0.123 0.000 2.354 576 A HA 0.949 5.269 4.320 0.000 0.000 0.321 576 A C -0.205 177.564 177.584 0.308 0.000 1.125 576 A CA -0.522 51.593 52.037 0.129 0.000 0.799 576 A CB 1.797 20.727 19.000 -0.117 0.000 1.293 576 A HN 0.672 nan 8.150 nan 0.000 0.452 577 S N -0.337 115.590 115.700 0.377 0.000 2.549 577 S HA 0.749 5.219 4.470 0.000 0.000 0.280 577 S C -1.532 173.436 174.600 0.613 0.000 1.109 577 S CA -0.289 58.172 58.200 0.435 0.000 0.905 577 S CB 1.314 64.706 63.200 0.320 0.000 1.081 577 S HN 0.756 nan 8.310 nan 0.000 0.477 578 F N 1.804 121.992 119.950 0.396 0.000 2.561 578 F HA 0.477 5.004 4.527 0.000 0.000 0.313 578 F C -1.489 174.497 175.800 0.311 0.000 1.126 578 F CA -0.697 57.553 58.000 0.416 0.000 0.918 578 F CB 1.499 40.705 39.000 0.344 0.000 1.199 578 F HN 0.384 nan 8.300 nan 0.000 0.444 579 D N 4.620 124.820 120.400 -0.334 0.000 2.473 579 D HA 0.360 5.000 4.640 0.000 0.000 0.226 579 D C 0.359 176.408 176.300 -0.418 0.000 1.089 579 D CA 0.140 54.021 54.000 -0.198 0.000 0.883 579 D CB 1.445 42.253 40.800 0.014 0.000 1.029 579 D HN 0.764 nan 8.370 nan 0.000 0.517 580 G N 1.258 109.930 108.800 -0.213 0.000 2.773 580 G HA2 0.266 4.226 3.960 0.000 0.000 0.186 580 G HA3 0.266 4.226 3.960 0.000 0.000 0.186 580 G C 0.143 175.108 174.900 0.108 0.000 1.411 580 G CA -0.633 44.413 45.100 -0.090 0.000 1.054 580 G HN 0.288 nan 8.290 nan 0.000 0.579 581 R N -0.749 119.792 120.500 0.068 0.000 2.640 581 R HA 0.386 4.726 4.340 0.000 0.000 0.270 581 R C 1.356 177.736 176.300 0.134 0.000 1.024 581 R CA 1.919 58.113 56.100 0.158 0.000 1.085 581 R CB 0.378 30.755 30.300 0.129 0.000 0.963 581 R HN 1.178 nan 8.270 nan 0.000 0.426 582 G N 1.351 110.215 108.800 0.107 0.000 2.241 582 G HA2 -0.317 3.643 3.960 0.000 0.000 0.244 582 G HA3 -0.317 3.643 3.960 0.000 0.000 0.244 582 G C 0.301 175.176 174.900 -0.040 0.000 0.998 582 G CA 0.234 45.362 45.100 0.046 0.000 0.621 582 G HN 0.719 nan 8.290 nan 0.000 0.519 583 S N 0.682 116.373 115.700 -0.016 0.000 2.569 583 S HA 0.492 4.962 4.470 0.000 0.000 0.274 583 S C 1.105 175.633 174.600 -0.120 0.000 1.353 583 S CA 0.920 59.086 58.200 -0.057 0.000 1.023 583 S CB 0.422 63.642 63.200 0.032 0.000 0.876 583 S HN 1.521 nan 8.310 nan 0.000 0.540 584 G N 0.726 109.414 108.800 -0.188 0.000 2.552 584 G HA2 0.520 4.480 3.960 0.000 0.000 0.324 584 G HA3 0.520 4.480 3.960 0.000 0.000 0.324 584 G C -1.061 173.657 174.900 -0.305 0.000 1.217 584 G CA -0.608 44.237 45.100 -0.424 0.000 0.989 584 G HN 0.897 nan 8.290 nan 0.000 0.490 585 Y N -2.334 117.947 120.300 -0.031 0.000 4.604 585 Y HA -0.218 4.332 4.550 0.000 0.000 0.230 585 Y C 1.343 177.225 175.900 -0.030 0.000 1.066 585 Y CA 1.080 59.167 58.100 -0.021 0.000 1.990 585 Y CB -2.189 36.281 38.460 0.017 0.000 1.619 585 Y HN 0.553 nan 8.280 nan 0.000 0.649 586 Q N -0.067 119.719 119.800 -0.023 0.000 2.084 586 Q HA 0.513 4.853 4.340 0.000 0.000 0.230 586 Q C 0.888 176.729 176.000 -0.265 0.000 0.806 586 Q CA 0.202 55.996 55.803 -0.014 0.000 1.083 586 Q CB 1.558 30.291 28.738 -0.008 0.000 1.208 586 Q HN 0.586 nan 8.270 nan 0.000 0.462 587 G N 0.685 109.192 108.800 -0.490 0.000 2.690 587 G HA2 -0.188 3.772 3.960 0.000 0.000 0.686 587 G HA3 -0.188 3.772 3.960 0.000 0.000 0.686 587 G C -0.440 174.057 174.900 -0.672 0.000 1.277 587 G CA -0.549 43.972 45.100 -0.965 0.000 0.799 587 G HN 0.131 nan 8.290 nan 0.000 0.613 588 D N -0.011 119.954 120.400 -0.727 0.000 2.219 588 D HA -0.058 4.582 4.640 0.000 0.000 0.205 588 D C 2.223 178.225 176.300 -0.496 0.000 0.970 588 D CA 1.245 54.780 54.000 -0.775 0.000 0.851 588 D CB 0.011 40.258 40.800 -0.922 0.000 0.943 588 D HN 0.568 nan 8.370 nan 0.000 0.488 589 K N 0.465 120.632 120.400 -0.389 0.000 2.113 589 K HA -0.148 4.172 4.320 0.000 0.000 0.208 589 K C 1.860 178.373 176.600 -0.146 0.000 1.047 589 K CA 0.867 57.023 56.287 -0.217 0.000 0.928 589 K CB 0.085 32.477 32.500 -0.179 0.000 0.716 589 K HN 0.073 nan 8.250 nan 0.000 0.446 590 I N 0.682 121.146 120.570 -0.175 0.000 2.188 590 I HA -0.232 3.938 4.170 0.000 0.000 0.237 590 I C 2.599 178.692 176.117 -0.040 0.000 1.073 590 I CA 0.975 62.237 61.300 -0.064 0.000 1.359 590 I CB -0.864 37.093 38.000 -0.070 0.000 1.083 590 I HN 0.331 nan 8.210 nan 0.000 0.412 591 M N 0.270 119.791 119.600 -0.132 0.000 2.149 591 M HA -0.253 4.227 4.480 0.000 0.000 0.261 591 M C 1.960 178.316 176.300 0.092 0.000 1.064 591 M CA 1.951 57.207 55.300 -0.072 0.000 1.102 591 M CB -0.396 32.080 32.600 -0.207 0.000 1.369 591 M HN 0.280 nan 8.290 nan 0.000 0.408 592 H N -0.940 118.020 119.070 -0.184 0.000 2.539 592 H HA 0.174 4.730 4.556 0.000 0.000 0.267 592 H C 1.830 177.168 175.328 0.016 0.000 0.982 592 H CA 0.112 56.069 56.048 -0.151 0.000 1.146 592 H CB 0.211 29.799 29.762 -0.291 0.000 1.382 592 H HN 0.533 nan 8.280 nan 0.000 0.577 593 A N 1.524 124.435 122.820 0.151 0.000 2.019 593 A HA -0.121 4.199 4.320 0.000 0.000 0.219 593 A C 2.043 179.810 177.584 0.305 0.000 1.164 593 A CA 1.016 53.149 52.037 0.161 0.000 0.644 593 A CB -0.618 18.436 19.000 0.089 0.000 0.805 593 A HN 0.562 nan 8.150 nan 0.000 0.449 594 I N -3.207 117.524 120.570 0.269 0.000 3.904 594 I HA 0.167 4.337 4.170 0.000 0.000 0.333 594 I C 0.365 176.567 176.117 0.141 0.000 1.361 594 I CA -0.479 60.952 61.300 0.219 0.000 1.116 594 I CB -0.591 37.500 38.000 0.151 0.000 1.028 594 I HN 0.212 nan 8.210 nan 0.000 0.398 595 N N 3.096 121.918 118.700 0.203 0.000 2.365 595 N HA -0.078 4.662 4.740 0.000 0.000 0.265 595 N C 0.201 175.746 175.510 0.059 0.000 1.288 595 N CA 0.291 53.459 53.050 0.197 0.000 0.869 595 N CB 0.318 38.888 38.487 0.140 0.000 1.071 595 N HN 0.421 nan 8.380 nan 0.000 0.480 596 R N 0.653 121.162 120.500 0.015 0.000 4.016 596 R HA -0.193 4.147 4.340 0.000 0.000 0.385 596 R C -0.271 175.919 176.300 -0.184 0.000 1.158 596 R CA 0.894 56.959 56.100 -0.057 0.000 1.117 596 R CB -0.925 29.358 30.300 -0.027 0.000 1.635 596 R HN 0.574 nan 8.270 nan 0.000 0.560 597 R N 0.721 121.103 120.500 -0.196 0.000 2.772 597 R HA 0.358 4.698 4.340 0.000 0.000 0.358 597 R C -0.462 175.789 176.300 -0.082 0.000 1.143 597 R CA -0.201 55.645 56.100 -0.424 0.000 1.153 597 R CB 0.540 30.596 30.300 -0.408 0.000 1.329 597 R HN 0.080 nan 8.270 nan 0.000 0.615 598 L N -0.362 120.904 121.223 0.072 0.000 2.483 598 L HA 0.210 4.550 4.340 0.000 0.000 0.276 598 L C 1.303 178.428 176.870 0.425 0.000 1.213 598 L CA 0.918 55.852 54.840 0.156 0.000 0.843 598 L CB 0.543 42.496 42.059 -0.176 0.000 1.107 598 L HN 0.685 nan 8.230 nan 0.000 0.487 599 G N 0.883 109.978 108.800 0.491 0.000 2.147 599 G HA2 -0.286 3.675 3.960 0.000 0.000 0.244 599 G HA3 -0.286 3.675 3.960 0.000 0.000 0.244 599 G C 0.435 175.448 174.900 0.188 0.000 1.005 599 G CA 0.558 45.917 45.100 0.430 0.000 0.713 599 G HN 0.844 nan 8.290 nan 0.000 0.515 600 T N -3.588 111.019 114.554 0.089 0.000 3.409 600 T HA 0.449 4.799 4.350 0.000 0.000 0.188 600 T C 1.661 176.315 174.700 -0.077 0.000 0.929 600 T CA 0.928 62.954 62.100 -0.123 0.000 1.184 600 T CB -0.045 68.532 68.868 -0.485 0.000 1.570 600 T HN 0.149 nan 8.240 nan 0.000 0.367 601 F N 3.467 123.467 119.950 0.084 0.000 2.216 601 F HA 0.103 4.630 4.527 0.000 0.000 0.300 601 F C 2.792 178.634 175.800 0.070 0.000 1.085 601 F CA 1.058 59.092 58.000 0.058 0.000 1.326 601 F CB -0.626 38.402 39.000 0.046 0.000 1.027 601 F HN 0.501 nan 8.300 nan 0.000 0.497 602 E N 0.914 121.274 120.200 0.267 0.000 2.150 602 E HA -0.142 4.208 4.350 0.000 0.000 0.193 602 E C 2.330 179.051 176.600 0.203 0.000 0.985 602 E CA 1.534 58.072 56.400 0.229 0.000 0.814 602 E CB -1.226 28.617 29.700 0.238 0.000 0.752 602 E HN 0.351 nan 8.360 nan 0.000 0.466 603 V N 0.916 120.929 119.914 0.166 0.000 2.488 603 V HA -0.166 3.954 4.120 0.000 0.000 0.246 603 V C 1.982 178.121 176.094 0.075 0.000 1.046 603 V CA 1.956 64.313 62.300 0.095 0.000 1.053 603 V CB -0.240 31.593 31.823 0.017 0.000 0.679 603 V HN 0.145 nan 8.190 nan 0.000 0.458 604 E N 0.062 120.316 120.200 0.090 0.000 2.077 604 E HA -0.222 4.128 4.350 0.000 0.000 0.193 604 E C 1.931 178.551 176.600 0.033 0.000 0.989 604 E CA 1.735 58.178 56.400 0.072 0.000 0.800 604 E CB -0.202 29.572 29.700 0.123 0.000 0.746 604 E HN 0.637 nan 8.360 nan 0.000 0.452 605 D N 0.180 120.614 120.400 0.057 0.000 2.219 605 D HA -0.141 4.499 4.640 0.000 0.000 0.205 605 D C 1.888 178.122 176.300 -0.110 0.000 0.970 605 D CA 0.804 54.793 54.000 -0.019 0.000 0.851 605 D CB -0.094 40.763 40.800 0.095 0.000 0.943 605 D HN 0.022 nan 8.370 nan 0.000 0.488 606 Q N 0.215 120.038 119.800 0.038 0.000 2.079 606 Q HA 0.023 4.364 4.340 0.000 0.000 0.200 606 Q C 2.162 178.164 176.000 0.003 0.000 0.974 606 Q CA 0.797 56.634 55.803 0.056 0.000 0.840 606 Q CB -0.160 28.655 28.738 0.128 0.000 0.898 606 Q HN 0.323 nan 8.270 nan 0.000 0.430 607 I N 0.046 120.642 120.570 0.044 0.000 2.163 607 I HA -0.226 3.945 4.170 0.000 0.000 0.240 607 I C 2.178 178.235 176.117 -0.100 0.000 1.081 607 I CA 1.255 62.619 61.300 0.106 0.000 1.353 607 I CB -0.314 37.747 38.000 0.102 0.000 1.054 607 I HN 0.223 nan 8.210 nan 0.000 0.407 608 E N 1.598 121.694 120.200 -0.173 0.000 2.130 608 E HA -0.237 4.113 4.350 0.000 0.000 0.196 608 E C 2.024 178.343 176.600 -0.468 0.000 0.998 608 E CA 1.891 58.133 56.400 -0.263 0.000 0.806 608 E CB -0.210 29.354 29.700 -0.228 0.000 0.738 608 E HN 0.445 nan 8.360 nan 0.000 0.459 609 A N 0.421 122.807 122.820 -0.723 0.000 1.930 609 A HA 0.073 4.393 4.320 0.000 0.000 0.217 609 A C 2.410 179.274 177.584 -1.200 0.000 1.175 609 A CA 1.833 53.146 52.037 -1.206 0.000 0.627 609 A CB -0.793 17.095 19.000 -1.853 0.000 0.815 609 A HN 0.359 nan 8.150 nan 0.000 0.443 610 A N -0.049 122.397 122.820 -0.623 0.000 1.930 610 A HA -0.136 4.184 4.320 0.000 0.000 0.217 610 A C 2.226 179.601 177.584 -0.348 0.000 1.175 610 A CA 1.332 53.160 52.037 -0.349 0.000 0.627 610 A CB -0.457 18.480 19.000 -0.106 0.000 0.815 610 A HN 0.524 nan 8.150 nan 0.000 0.443 611 R N -0.429 119.864 120.500 -0.344 0.000 2.091 611 R HA -0.157 4.183 4.340 0.000 0.000 0.238 611 R C 2.412 178.562 176.300 -0.251 0.000 1.136 611 R CA 1.611 57.554 56.100 -0.262 0.000 0.959 611 R CB -0.376 29.794 30.300 -0.217 0.000 0.856 611 R HN 0.674 nan 8.270 nan 0.000 0.437 612 Q N -0.264 119.325 119.800 -0.353 0.000 2.046 612 Q HA -0.133 4.207 4.340 0.000 0.000 0.200 612 Q C 2.067 177.970 176.000 -0.162 0.000 0.975 612 Q CA 1.252 56.885 55.803 -0.283 0.000 0.836 612 Q CB -0.174 28.347 28.738 -0.361 0.000 0.896 612 Q HN 0.274 nan 8.270 nan 0.000 0.428 613 F N 1.515 121.337 119.950 -0.214 0.000 2.134 613 F HA -0.172 4.356 4.527 0.000 0.000 0.299 613 F C 2.801 178.479 175.800 -0.203 0.000 1.097 613 F CA 1.342 59.225 58.000 -0.196 0.000 1.264 613 F CB -1.397 37.529 39.000 -0.123 0.000 1.001 613 F HN 0.096 nan 8.300 nan 0.000 0.479 614 S N -0.758 114.941 115.700 -0.001 0.000 2.469 614 S HA -0.124 4.347 4.470 0.000 0.000 0.238 614 S C 1.403 175.932 174.600 -0.118 0.000 0.998 614 S CA 0.829 58.986 58.200 -0.072 0.000 0.957 614 S CB -0.333 62.800 63.200 -0.112 0.000 0.764 614 S HN 0.136 nan 8.310 nan 0.000 0.514 615 K N 0.368 120.690 120.400 -0.130 0.000 2.576 615 K HA 0.423 4.743 4.320 0.000 0.000 0.209 615 K C 0.538 177.035 176.600 -0.172 0.000 1.049 615 K CA 0.012 56.219 56.287 -0.134 0.000 1.140 615 K CB -0.023 32.410 32.500 -0.111 0.000 0.871 615 K HN 0.503 nan 8.250 nan 0.000 0.479 616 M N -1.341 118.090 119.600 -0.283 0.000 2.414 616 M HA 0.073 4.553 4.480 0.000 0.000 0.251 616 M C 0.999 176.965 176.300 -0.555 0.000 1.116 616 M CA 0.593 55.623 55.300 -0.451 0.000 1.056 616 M CB 0.595 32.786 32.600 -0.682 0.000 1.388 616 M HN 0.416 nan 8.290 nan 0.000 0.487 617 G N 1.085 109.641 108.800 -0.408 0.000 2.317 617 G HA2 -0.306 3.654 3.960 0.000 0.000 0.227 617 G HA3 -0.306 3.654 3.960 0.000 0.000 0.227 617 G C 0.483 175.309 174.900 -0.123 0.000 1.042 617 G CA 0.367 45.329 45.100 -0.230 0.000 0.623 617 G HN 0.514 nan 8.290 nan 0.000 0.509 618 F N 1.107 121.118 119.950 0.102 0.000 2.664 618 F HA 0.760 5.287 4.527 0.000 0.000 0.303 618 F C 0.289 176.208 175.800 0.200 0.000 1.092 618 F CA -1.389 56.707 58.000 0.160 0.000 1.305 618 F CB -0.076 39.080 39.000 0.260 0.000 1.054 618 F HN 0.104 nan 8.300 nan 0.000 0.565 619 V N 1.849 121.846 119.914 0.138 0.000 2.370 619 V HA 0.189 4.309 4.120 0.000 0.000 0.283 619 V C -0.555 175.559 176.094 0.034 0.000 1.023 619 V CA -0.823 61.566 62.300 0.147 0.000 0.857 619 V CB 1.378 33.239 31.823 0.063 0.000 0.985 619 V HN 0.066 nan 8.190 nan 0.000 0.443 620 D N 4.432 124.841 120.400 0.015 0.000 2.359 620 D HA 0.035 4.675 4.640 0.000 0.000 0.250 620 D C 1.424 177.687 176.300 -0.062 0.000 1.264 620 D CA -0.124 53.847 54.000 -0.050 0.000 0.911 620 D CB 0.563 41.303 40.800 -0.099 0.000 1.056 620 D HN 0.649 nan 8.370 nan 0.000 0.499 621 N N 3.567 122.233 118.700 -0.058 0.000 2.430 621 N HA -0.196 4.544 4.740 0.000 0.000 0.186 621 N C 0.692 176.168 175.510 -0.057 0.000 1.032 621 N CA 0.673 53.682 53.050 -0.067 0.000 0.893 621 N CB 0.044 38.486 38.487 -0.074 0.000 0.957 621 N HN 0.421 nan 8.380 nan 0.000 0.442 622 K N 0.096 120.469 120.400 -0.045 0.000 2.404 622 K HA 0.180 4.500 4.320 0.000 0.000 0.194 622 K C 0.309 176.916 176.600 0.012 0.000 1.023 622 K CA 0.046 56.323 56.287 -0.017 0.000 1.094 622 K CB 0.479 32.970 32.500 -0.016 0.000 0.841 622 K HN 0.106 nan 8.250 nan 0.000 0.523 623 R N 1.215 121.694 120.500 -0.036 0.000 2.653 623 R HA 0.347 4.687 4.340 0.000 0.000 0.269 623 R C -1.043 175.211 176.300 -0.077 0.000 1.603 623 R CA -0.128 55.928 56.100 -0.073 0.000 1.671 623 R CB 0.600 30.659 30.300 -0.402 0.000 1.300 623 R HN -0.005 nan 8.270 nan 0.000 0.668 624 I N 1.008 121.700 120.570 0.204 0.000 2.406 624 I HA 0.569 4.739 4.170 0.000 0.000 0.290 624 I C -0.074 176.376 176.117 0.556 0.000 0.999 624 I CA -0.753 60.722 61.300 0.291 0.000 1.124 624 I CB 1.995 40.022 38.000 0.045 0.000 1.289 624 I HN 0.280 nan 8.210 nan 0.000 0.441 625 A N 6.957 130.198 122.820 0.702 0.000 2.387 625 A HA 0.924 5.244 4.320 0.000 0.000 0.303 625 A C -1.184 176.743 177.584 0.571 0.000 1.145 625 A CA -0.651 51.733 52.037 0.578 0.000 0.801 625 A CB 2.111 21.295 19.000 0.306 0.000 1.342 625 A HN 0.734 nan 8.150 nan 0.000 0.440 626 I N 0.469 121.270 120.570 0.386 0.000 2.656 626 I HA 0.712 4.883 4.170 0.000 0.000 0.292 626 I C -1.961 174.383 176.117 0.379 0.000 1.144 626 I CA -0.595 60.860 61.300 0.258 0.000 1.038 626 I CB 1.637 39.479 38.000 -0.264 0.000 1.244 626 I HN 0.928 nan 8.210 nan 0.000 0.420 627 W N 7.110 128.525 121.300 0.191 0.000 3.217 627 W HA 0.849 5.509 4.660 0.000 0.000 0.323 627 W C -1.664 174.989 176.519 0.223 0.000 1.216 627 W CA -1.243 56.226 57.345 0.207 0.000 1.194 627 W CB 1.203 30.838 29.460 0.292 0.000 1.397 627 W HN 0.816 nan 8.180 nan 0.000 0.537 628 G N 1.786 110.531 108.800 -0.091 0.000 2.742 628 G HA2 0.472 4.433 3.960 0.000 0.000 0.296 628 G HA3 0.472 4.433 3.960 0.000 0.000 0.296 628 G C -2.669 172.147 174.900 -0.140 0.000 1.436 628 G CA -0.626 44.298 45.100 -0.293 0.000 0.928 628 G HN 0.582 nan 8.290 nan 0.000 0.520 629 W N 1.878 122.966 121.300 -0.353 0.000 2.606 629 W HA 0.628 5.288 4.660 0.000 0.000 0.332 629 W C 0.757 177.192 176.519 -0.141 0.000 1.052 629 W CA 0.181 57.398 57.345 -0.215 0.000 1.223 629 W CB 1.702 31.025 29.460 -0.228 0.000 1.383 629 W HN 0.951 nan 8.180 nan 0.000 0.524 630 S N 1.823 117.716 115.700 0.321 0.000 4.116 630 S HA -0.418 4.052 4.470 0.000 0.000 0.623 630 S C 0.905 175.613 174.600 0.180 0.000 1.933 630 S CA 1.677 60.055 58.200 0.297 0.000 4.224 630 S CB -1.703 61.675 63.200 0.296 0.000 0.208 630 S HN 0.742 nan 8.310 nan 0.000 0.527 631 Y N 2.601 122.965 120.300 0.108 0.000 2.274 631 Y HA 0.060 4.610 4.550 0.000 0.000 0.290 631 Y C 2.283 178.361 175.900 0.297 0.000 1.145 631 Y CA 2.214 60.459 58.100 0.241 0.000 1.203 631 Y CB -0.944 37.743 38.460 0.378 0.000 0.984 631 Y HN 0.495 nan 8.280 nan 0.000 0.533 632 G N -0.899 108.135 108.800 0.390 0.000 2.432 632 G HA2 -0.215 3.746 3.960 0.000 0.000 0.219 632 G HA3 -0.215 3.746 3.960 0.000 0.000 0.219 632 G C 1.909 176.892 174.900 0.137 0.000 1.135 632 G CA 0.715 45.976 45.100 0.269 0.000 0.767 632 G HN 0.565 nan 8.290 nan 0.000 0.550 633 G N -0.109 108.753 108.800 0.103 0.000 2.402 633 G HA2 -0.226 3.734 3.960 0.000 0.000 0.216 633 G HA3 -0.226 3.734 3.960 0.000 0.000 0.216 633 G C 1.592 176.534 174.900 0.069 0.000 1.162 633 G CA 1.085 46.218 45.100 0.055 0.000 0.777 633 G HN 0.440 nan 8.290 nan 0.000 0.539 634 Y N 1.274 121.510 120.300 -0.106 0.000 2.114 634 Y HA -0.104 4.446 4.550 0.000 0.000 0.284 634 Y C 2.760 178.600 175.900 -0.101 0.000 1.143 634 Y CA 1.683 59.668 58.100 -0.192 0.000 1.135 634 Y CB -0.465 37.736 38.460 -0.430 0.000 0.980 634 Y HN 0.021 nan 8.280 nan 0.000 0.499 635 V N -0.202 119.662 119.914 -0.084 0.000 2.343 635 V HA -0.327 3.793 4.120 0.000 0.000 0.247 635 V C 2.344 178.363 176.094 -0.125 0.000 1.051 635 V CA 2.469 64.711 62.300 -0.097 0.000 1.036 635 V CB -1.160 30.789 31.823 0.209 0.000 0.654 635 V HN 0.503 nan 8.190 nan 0.000 0.451 636 T N -0.606 113.921 114.554 -0.044 0.000 2.759 636 T HA -0.196 4.154 4.350 0.000 0.000 0.269 636 T C 2.170 176.805 174.700 -0.108 0.000 1.042 636 T CA 1.949 64.013 62.100 -0.061 0.000 1.140 636 T CB -0.204 68.694 68.868 0.051 0.000 0.864 636 T HN 0.469 nan 8.240 nan 0.000 0.455 637 S N 0.573 116.227 115.700 -0.076 0.000 2.357 637 S HA 0.017 4.487 4.470 0.000 0.000 0.221 637 S C 2.136 176.622 174.600 -0.191 0.000 1.031 637 S CA 0.808 58.970 58.200 -0.063 0.000 0.982 637 S CB -0.212 63.003 63.200 0.026 0.000 0.853 637 S HN 0.315 nan 8.310 nan 0.000 0.458 638 M N 0.980 120.391 119.600 -0.316 0.000 2.149 638 M HA -0.050 4.430 4.480 0.000 0.000 0.261 638 M C 2.156 178.305 176.300 -0.252 0.000 1.064 638 M CA 1.099 56.211 55.300 -0.314 0.000 1.102 638 M CB -1.467 30.864 32.600 -0.448 0.000 1.369 638 M HN 0.171 nan 8.290 nan 0.000 0.408 639 V N 0.561 120.320 119.914 -0.257 0.000 2.270 639 V HA -0.245 3.875 4.120 0.000 0.000 0.245 639 V C 2.529 178.438 176.094 -0.308 0.000 1.043 639 V CA 1.427 63.580 62.300 -0.245 0.000 1.014 639 V CB -0.654 30.976 31.823 -0.322 0.000 0.645 639 V HN 0.394 nan 8.190 nan 0.000 0.447 640 L N 0.445 121.399 121.223 -0.448 0.000 2.127 640 L HA -0.093 4.247 4.340 0.000 0.000 0.211 640 L C 2.193 178.524 176.870 -0.898 0.000 1.089 640 L CA 1.580 56.044 54.840 -0.627 0.000 0.757 640 L CB -0.715 40.868 42.059 -0.792 0.000 0.899 640 L HN 0.496 nan 8.230 nan 0.000 0.434 641 G N -1.610 106.676 108.800 -0.856 0.000 3.284 641 G HA2 -0.042 3.918 3.960 0.000 0.000 0.236 641 G HA3 -0.042 3.918 3.960 0.000 0.000 0.236 641 G C 1.476 176.238 174.900 -0.230 0.000 1.158 641 G CA 0.565 45.315 45.100 -0.582 0.000 0.774 641 G HN 0.412 nan 8.290 nan 0.000 0.545 642 S N -0.543 115.033 115.700 -0.205 0.000 2.496 642 S HA 0.298 4.768 4.470 0.000 0.000 0.224 642 S C 1.983 176.544 174.600 -0.064 0.000 0.996 642 S CA 1.120 59.260 58.200 -0.100 0.000 0.927 642 S CB -0.141 63.017 63.200 -0.069 0.000 0.774 642 S HN 1.363 nan 8.310 nan 0.000 0.524 643 G N 1.339 110.091 108.800 -0.080 0.000 2.148 643 G HA2 -0.363 3.597 3.960 0.000 0.000 0.254 643 G HA3 -0.363 3.597 3.960 0.000 0.000 0.254 643 G C 1.066 175.956 174.900 -0.017 0.000 0.981 643 G CA 1.094 46.168 45.100 -0.043 0.000 0.670 643 G HN 1.335 nan 8.290 nan 0.000 0.528 644 S N -0.376 115.326 115.700 0.003 0.000 2.374 644 S HA 0.193 4.663 4.470 0.000 0.000 0.227 644 S C 2.673 177.271 174.600 -0.004 0.000 1.037 644 S CA 2.186 60.397 58.200 0.018 0.000 1.024 644 S CB -0.464 62.785 63.200 0.083 0.000 0.861 644 S HN 2.511 nan 8.310 nan 0.000 0.456 645 G N -0.654 108.150 108.800 0.007 0.000 2.176 645 G HA2 -0.252 3.709 3.960 0.000 0.000 0.253 645 G HA3 -0.252 3.709 3.960 0.000 0.000 0.253 645 G C 0.723 175.585 174.900 -0.063 0.000 0.979 645 G CA 0.380 45.471 45.100 -0.016 0.000 0.641 645 G HN 0.792 nan 8.290 nan 0.000 0.530 646 V N -0.375 119.464 119.914 -0.125 0.000 2.446 646 V HA 0.315 4.435 4.120 0.000 0.000 0.244 646 V C 1.156 176.963 176.094 -0.479 0.000 1.039 646 V CA 1.378 63.441 62.300 -0.394 0.000 1.045 646 V CB -0.356 31.030 31.823 -0.729 0.000 0.681 646 V HN 0.284 nan 8.190 nan 0.000 0.459 647 F N 0.426 120.394 119.950 0.030 0.000 2.415 647 F HA 0.417 4.945 4.527 0.000 0.000 0.348 647 F C 1.147 176.994 175.800 0.078 0.000 1.119 647 F CA -0.686 57.360 58.000 0.077 0.000 1.069 647 F CB 1.216 40.264 39.000 0.081 0.000 1.124 647 F HN -0.200 nan 8.300 nan 0.000 0.472 648 K N 1.970 122.528 120.400 0.262 0.000 2.062 648 K HA 0.016 4.336 4.320 0.000 0.000 0.205 648 K C 0.084 176.810 176.600 0.211 0.000 1.051 648 K CA 1.193 57.599 56.287 0.198 0.000 0.941 648 K CB 0.176 32.796 32.500 0.200 0.000 0.719 648 K HN 0.829 nan 8.250 nan 0.000 0.440 649 c N -2.868 115.893 118.600 0.267 0.000 3.332 649 c HA 0.916 5.486 4.570 0.000 0.000 0.329 649 c C -0.232 174.068 174.090 0.350 0.000 1.434 649 c CA -0.542 55.961 56.329 0.290 0.000 1.314 649 c CB 1.124 43.733 42.510 0.164 0.000 1.664 649 c HN 0.370 nan 8.230 nan 0.000 0.457 650 G N 0.029 109.096 108.800 0.444 0.000 2.667 650 G HA2 0.676 4.636 3.960 0.000 0.000 0.294 650 G HA3 0.676 4.636 3.960 0.000 0.000 0.294 650 G C -1.955 173.165 174.900 0.368 0.000 1.467 650 G CA -0.648 44.679 45.100 0.379 0.000 0.852 650 G HN 0.967 nan 8.290 nan 0.000 0.521 651 I N 0.780 121.534 120.570 0.306 0.000 2.465 651 I HA 0.648 4.818 4.170 0.000 0.000 0.291 651 I C 0.168 176.404 176.117 0.198 0.000 1.014 651 I CA -0.991 60.376 61.300 0.112 0.000 1.093 651 I CB 2.267 40.315 38.000 0.079 0.000 1.267 651 I HN 0.657 nan 8.210 nan 0.000 0.431 652 A N 6.362 129.200 122.820 0.030 0.000 2.319 652 A HA 0.757 5.077 4.320 0.000 0.000 0.310 652 A C -0.880 176.618 177.584 -0.142 0.000 1.152 652 A CA -0.500 51.560 52.037 0.039 0.000 0.783 652 A CB 1.228 20.330 19.000 0.170 0.000 1.184 652 A HN 0.427 nan 8.150 nan 0.000 0.474 653 V N 2.126 121.895 119.914 -0.241 0.000 2.398 653 V HA 0.569 4.689 4.120 0.000 0.000 0.286 653 V C 0.965 176.656 176.094 -0.671 0.000 1.026 653 V CA 0.315 62.257 62.300 -0.597 0.000 0.868 653 V CB 0.836 31.986 31.823 -1.122 0.000 0.982 653 V HN 2.109 nan 8.190 nan 0.000 0.443 654 A N 5.783 128.191 122.820 -0.686 0.000 2.312 654 A HA -0.107 4.213 4.320 0.000 0.000 0.286 654 A C -1.852 175.568 177.584 -0.273 0.000 1.425 654 A CA 0.535 52.047 52.037 -0.876 0.000 0.748 654 A CB -1.461 17.105 19.000 -0.723 0.000 1.126 654 A HN 0.614 nan 8.150 nan 0.000 0.368 655 P HA 0.531 nan 4.420 nan 0.000 0.283 655 P C -0.027 177.247 177.300 -0.044 0.000 1.271 655 P CA -0.481 62.601 63.100 -0.030 0.000 0.841 655 P CB 1.559 33.265 31.700 0.010 0.000 1.122 656 V N 1.516 121.319 119.914 -0.185 0.000 2.607 656 V HA 0.144 4.264 4.120 0.000 0.000 0.289 656 V C 1.627 177.571 176.094 -0.250 0.000 1.053 656 V CA 0.729 62.781 62.300 -0.413 0.000 0.996 656 V CB 1.017 32.202 31.823 -1.063 0.000 0.995 656 V HN 0.844 nan 8.190 nan 0.000 0.476 657 S N 3.739 119.306 115.700 -0.222 0.000 2.575 657 S HA 0.244 4.714 4.470 0.000 0.000 0.230 657 S C 0.442 174.892 174.600 -0.250 0.000 1.062 657 S CA -0.347 57.784 58.200 -0.114 0.000 0.913 657 S CB 0.297 63.484 63.200 -0.022 0.000 0.837 657 S HN 0.832 nan 8.310 nan 0.000 0.487 658 R N -1.067 119.160 120.500 -0.455 0.000 2.515 658 R HA 0.433 4.773 4.340 0.000 0.000 0.278 658 R C -0.932 175.055 176.300 -0.520 0.000 1.107 658 R CA -0.835 54.935 56.100 -0.550 0.000 0.945 658 R CB -0.266 29.627 30.300 -0.679 0.000 1.219 658 R HN 0.134 nan 8.270 nan 0.000 0.434 659 W N 1.746 122.997 121.300 -0.083 0.000 2.359 659 W HA -0.089 4.571 4.660 0.000 0.000 0.275 659 W C 1.045 177.720 176.519 0.261 0.000 1.217 659 W CA 0.940 58.333 57.345 0.080 0.000 1.196 659 W CB 0.210 29.642 29.460 -0.046 0.000 1.129 659 W HN 0.717 nan 8.180 nan 0.000 0.566 660 E N -1.201 119.156 120.200 0.262 0.000 2.347 660 E HA -0.171 4.180 4.350 0.000 0.000 0.196 660 E C 1.285 178.010 176.600 0.207 0.000 1.008 660 E CA 0.717 57.208 56.400 0.152 0.000 0.852 660 E CB -0.199 29.485 29.700 -0.027 0.000 0.783 660 E HN 0.375 nan 8.360 nan 0.000 0.505 661 Y N -1.317 119.052 120.300 0.115 0.000 2.517 661 Y HA 0.049 4.599 4.550 0.000 0.000 0.281 661 Y C 0.775 176.720 175.900 0.075 0.000 1.125 661 Y CA -0.291 57.834 58.100 0.041 0.000 1.283 661 Y CB -0.417 38.019 38.460 -0.040 0.000 1.042 661 Y HN 0.013 nan 8.280 nan 0.000 0.547 662 Y N 2.133 122.549 120.300 0.194 0.000 2.334 662 Y HA 0.265 4.815 4.550 0.000 0.000 0.325 662 Y C 0.335 176.432 175.900 0.328 0.000 1.308 662 Y CA -2.106 56.118 58.100 0.206 0.000 1.389 662 Y CB 0.309 38.935 38.460 0.276 0.000 1.328 662 Y HN 0.207 nan 8.280 nan 0.000 0.532 663 D N -0.283 119.760 120.400 -0.595 0.000 2.423 663 D HA 0.078 4.718 4.640 0.000 0.000 0.238 663 D C 0.965 177.230 176.300 -0.059 0.000 1.142 663 D CA 0.424 54.222 54.000 -0.336 0.000 0.884 663 D CB 0.864 41.270 40.800 -0.657 0.000 1.199 663 D HN 0.499 nan 8.370 nan 0.000 0.438 664 S N 1.598 117.287 115.700 -0.018 0.000 2.354 664 S HA -0.261 4.209 4.470 0.000 0.000 0.219 664 S C 1.994 176.613 174.600 0.032 0.000 1.035 664 S CA 1.330 59.565 58.200 0.059 0.000 1.037 664 S CB -1.173 62.066 63.200 0.067 0.000 0.956 664 S HN 0.453 nan 8.310 nan 0.000 0.428 665 V N 1.015 120.889 119.914 -0.066 0.000 2.278 665 V HA -0.230 3.890 4.120 0.000 0.000 0.251 665 V C 2.339 178.344 176.094 -0.149 0.000 1.062 665 V CA 2.484 64.662 62.300 -0.202 0.000 1.038 665 V CB -1.164 30.392 31.823 -0.445 0.000 0.646 665 V HN 0.624 nan 8.190 nan 0.000 0.447 666 Y N 1.110 121.340 120.300 -0.117 0.000 2.176 666 Y HA -0.175 4.375 4.550 0.000 0.000 0.291 666 Y C 2.713 178.591 175.900 -0.035 0.000 1.122 666 Y CA 2.152 60.250 58.100 -0.003 0.000 1.128 666 Y CB -0.631 38.016 38.460 0.312 0.000 1.005 666 Y HN 0.215 nan 8.280 nan 0.000 0.509 667 T N 0.592 115.376 114.554 0.383 0.000 2.622 667 T HA -0.218 4.133 4.350 0.000 0.000 0.266 667 T C 1.566 176.236 174.700 -0.051 0.000 1.047 667 T CA 2.029 64.282 62.100 0.255 0.000 1.159 667 T CB -0.370 68.794 68.868 0.492 0.000 0.863 667 T HN 0.444 nan 8.240 nan 0.000 0.422 668 E N 0.560 120.765 120.200 0.009 0.000 2.265 668 E HA -0.130 4.220 4.350 0.000 0.000 0.196 668 E C 2.297 178.763 176.600 -0.223 0.000 0.996 668 E CA 0.532 56.923 56.400 -0.015 0.000 0.832 668 E CB -0.157 29.582 29.700 0.065 0.000 0.756 668 E HN 0.344 nan 8.360 nan 0.000 0.491 669 R N -0.031 120.158 120.500 -0.518 0.000 2.193 669 R HA -0.166 4.174 4.340 0.000 0.000 0.229 669 R C 0.948 176.610 176.300 -1.064 0.000 1.110 669 R CA 1.371 56.958 56.100 -0.854 0.000 0.988 669 R CB 0.117 29.615 30.300 -1.337 0.000 0.871 669 R HN 0.230 nan 8.270 nan 0.000 0.458 670 Y N -2.643 117.346 120.300 -0.519 0.000 2.526 670 Y HA 0.251 4.801 4.550 0.000 0.000 0.265 670 Y C 1.556 177.267 175.900 -0.315 0.000 1.092 670 Y CA -0.186 57.601 58.100 -0.522 0.000 1.277 670 Y CB 0.380 38.418 38.460 -0.704 0.000 1.228 670 Y HN -0.075 nan 8.280 nan 0.000 0.507 671 M N 0.051 119.534 119.600 -0.195 0.000 2.371 671 M HA 0.361 4.841 4.480 0.000 0.000 0.246 671 M C 1.087 177.397 176.300 0.017 0.000 1.103 671 M CA 0.808 55.989 55.300 -0.199 0.000 1.010 671 M CB -0.632 31.637 32.600 -0.551 0.000 1.457 671 M HN 0.383 nan 8.290 nan 0.000 0.486 672 G N 1.792 110.618 108.800 0.043 0.000 2.601 672 G HA2 -0.228 3.732 3.960 0.000 0.000 0.252 672 G HA3 -0.228 3.732 3.960 0.000 0.000 0.252 672 G C -0.782 174.252 174.900 0.223 0.000 1.294 672 G CA -0.758 44.409 45.100 0.110 0.000 0.912 672 G HN 0.274 nan 8.290 nan 0.000 0.574 673 L N 2.812 124.144 121.223 0.182 0.000 2.307 673 L HA 0.539 4.879 4.340 0.000 0.000 0.282 673 L C -1.320 175.583 176.870 0.056 0.000 1.051 673 L CA -1.896 53.012 54.840 0.113 0.000 0.804 673 L CB 1.380 43.465 42.059 0.043 0.000 1.197 673 L HN 0.429 nan 8.230 nan 0.000 0.431 674 P HA 0.082 nan 4.420 nan 0.000 0.226 674 P C -0.722 176.440 177.300 -0.229 0.000 1.783 674 P CA -0.100 62.603 63.100 -0.663 0.000 0.980 674 P CB -0.475 30.495 31.700 -1.216 0.000 1.967 675 T N -2.654 111.860 114.554 -0.066 0.000 2.907 675 T HA 0.457 4.807 4.350 0.000 0.000 0.292 675 T C -2.087 172.624 174.700 0.018 0.000 1.043 675 T CA -2.383 59.702 62.100 -0.025 0.000 1.003 675 T CB 2.241 71.100 68.868 -0.014 0.000 1.084 675 T HN -0.207 nan 8.240 nan 0.000 0.483 676 P HA -0.074 nan 4.420 nan 0.000 0.218 676 P C 0.775 178.096 177.300 0.035 0.000 1.149 676 P CA 1.181 64.299 63.100 0.031 0.000 0.817 676 P CB 0.167 31.880 31.700 0.021 0.000 0.785 677 E N -0.760 119.456 120.200 0.026 0.000 2.338 677 E HA -0.091 4.259 4.350 0.000 0.000 0.197 677 E C 1.500 178.122 176.600 0.036 0.000 1.007 677 E CA 0.815 57.231 56.400 0.026 0.000 0.849 677 E CB -0.369 29.341 29.700 0.017 0.000 0.774 677 E HN 0.351 nan 8.360 nan 0.000 0.506 678 D N -0.768 119.662 120.400 0.050 0.000 3.066 678 D HA 0.112 4.753 4.640 0.000 0.000 0.225 678 D C 0.229 176.590 176.300 0.102 0.000 1.397 678 D CA 0.035 54.077 54.000 0.069 0.000 1.344 678 D CB -0.061 40.784 40.800 0.074 0.000 0.934 678 D HN 0.008 nan 8.370 nan 0.000 0.202 679 N N 0.087 118.884 118.700 0.161 0.000 2.299 679 N HA 0.054 4.794 4.740 0.000 0.000 0.246 679 N C 1.256 176.971 175.510 0.341 0.000 1.254 679 N CA -0.120 53.068 53.050 0.230 0.000 0.879 679 N CB 0.877 39.512 38.487 0.247 0.000 1.214 679 N HN -0.009 nan 8.380 nan 0.000 0.510 680 L N 1.239 122.596 121.223 0.223 0.000 2.043 680 L HA -0.185 4.155 4.340 0.000 0.000 0.212 680 L C 1.429 178.423 176.870 0.207 0.000 1.075 680 L CA 2.013 56.965 54.840 0.186 0.000 0.752 680 L CB -0.501 41.595 42.059 0.062 0.000 0.891 680 L HN 0.170 nan 8.230 nan 0.000 0.432 681 D N -1.493 119.004 120.400 0.161 0.000 2.133 681 D HA -0.255 4.385 4.640 0.000 0.000 0.195 681 D C 2.096 178.494 176.300 0.162 0.000 0.997 681 D CA 1.745 55.827 54.000 0.136 0.000 0.840 681 D CB -0.138 40.729 40.800 0.112 0.000 0.947 681 D HN 0.591 nan 8.370 nan 0.000 0.452 682 H N -1.062 118.071 119.070 0.106 0.000 2.436 682 H HA -0.032 4.524 4.556 0.000 0.000 0.294 682 H C 1.682 177.068 175.328 0.098 0.000 1.048 682 H CA 1.066 57.153 56.048 0.065 0.000 1.353 682 H CB -0.251 29.512 29.762 0.002 0.000 1.414 682 H HN 0.123 nan 8.280 nan 0.000 0.536 683 Y N 0.567 120.878 120.300 0.018 0.000 2.097 683 Y HA -0.210 4.340 4.550 0.000 0.000 0.282 683 Y C 2.420 178.299 175.900 -0.035 0.000 1.152 683 Y CA 1.742 59.857 58.100 0.025 0.000 1.136 683 Y CB 0.068 38.566 38.460 0.063 0.000 0.975 683 Y HN 0.119 nan 8.280 nan 0.000 0.498 684 R N -0.176 120.412 120.500 0.145 0.000 2.189 684 R HA -0.079 4.261 4.340 0.000 0.000 0.218 684 R C 1.280 177.579 176.300 -0.002 0.000 1.074 684 R CA 0.988 57.120 56.100 0.052 0.000 0.991 684 R CB -0.768 29.563 30.300 0.052 0.000 0.883 684 R HN 0.392 nan 8.270 nan 0.000 0.457 685 N N -0.100 118.576 118.700 -0.040 0.000 2.353 685 N HA -0.050 4.690 4.740 0.000 0.000 0.185 685 N C 0.324 175.768 175.510 -0.110 0.000 1.098 685 N CA 0.455 53.473 53.050 -0.053 0.000 0.872 685 N CB 0.420 38.911 38.487 0.005 0.000 0.970 685 N HN 0.092 nan 8.380 nan 0.000 0.467 686 S N -1.152 114.440 115.700 -0.180 0.000 2.588 686 S HA 0.131 4.601 4.470 0.000 0.000 0.245 686 S C 0.382 175.014 174.600 0.054 0.000 1.021 686 S CA -0.764 57.389 58.200 -0.079 0.000 1.006 686 S CB -0.581 62.517 63.200 -0.169 0.000 0.830 686 S HN 0.158 nan 8.310 nan 0.000 0.468 687 T N -1.631 112.913 114.554 -0.015 0.000 2.922 687 T HA 0.526 4.877 4.350 0.000 0.000 0.285 687 T C 1.266 175.942 174.700 -0.040 0.000 1.005 687 T CA -0.642 61.433 62.100 -0.042 0.000 1.061 687 T CB 1.398 70.212 68.868 -0.089 0.000 1.007 687 T HN -0.043 nan 8.240 nan 0.000 0.502 688 V N 2.536 122.418 119.914 -0.054 0.000 2.379 688 V HA -0.143 3.977 4.120 0.000 0.000 0.245 688 V C 2.748 178.796 176.094 -0.077 0.000 1.044 688 V CA 1.646 63.906 62.300 -0.066 0.000 1.036 688 V CB -0.825 30.952 31.823 -0.078 0.000 0.664 688 V HN 0.883 nan 8.190 nan 0.000 0.453 689 M N 1.215 120.754 119.600 -0.102 0.000 2.195 689 M HA -0.139 4.342 4.480 0.000 0.000 0.260 689 M C 2.283 178.539 176.300 -0.075 0.000 1.066 689 M CA 2.309 57.539 55.300 -0.117 0.000 1.089 689 M CB -2.109 30.437 32.600 -0.089 0.000 1.377 689 M HN 0.576 nan 8.290 nan 0.000 0.411 690 S N 0.046 115.719 115.700 -0.046 0.000 2.555 690 S HA 0.005 4.475 4.470 0.000 0.000 0.230 690 S C 1.846 176.444 174.600 -0.003 0.000 0.978 690 S CA 0.363 58.549 58.200 -0.023 0.000 0.934 690 S CB -0.375 62.814 63.200 -0.019 0.000 0.766 690 S HN 0.589 nan 8.310 nan 0.000 0.533 691 R N 0.085 120.594 120.500 0.015 0.000 2.362 691 R HA 0.425 4.765 4.340 0.000 0.000 0.227 691 R C 2.278 178.678 176.300 0.167 0.000 0.905 691 R CA 0.459 56.603 56.100 0.074 0.000 1.067 691 R CB -0.240 30.112 30.300 0.087 0.000 1.078 691 R HN 0.489 nan 8.270 nan 0.000 0.516 692 A N 1.544 124.392 122.820 0.047 0.000 1.915 692 A HA -0.319 4.001 4.320 0.000 0.000 0.220 692 A C 1.978 179.623 177.584 0.101 0.000 1.198 692 A CA 2.125 54.144 52.037 -0.031 0.000 0.647 692 A CB -0.378 18.540 19.000 -0.137 0.000 0.825 692 A HN 0.291 nan 8.150 nan 0.000 0.456 693 E N 0.370 120.612 120.200 0.071 0.000 2.130 693 E HA -0.201 4.149 4.350 0.000 0.000 0.196 693 E C 1.668 178.327 176.600 0.099 0.000 0.998 693 E CA 1.944 58.386 56.400 0.070 0.000 0.806 693 E CB -0.568 29.157 29.700 0.041 0.000 0.738 693 E HN 0.797 nan 8.360 nan 0.000 0.459 694 N N -1.225 117.538 118.700 0.105 0.000 2.453 694 N HA -0.106 4.634 4.740 0.000 0.000 0.183 694 N C 0.859 176.380 175.510 0.019 0.000 1.041 694 N CA 0.406 53.479 53.050 0.038 0.000 0.900 694 N CB -0.151 38.316 38.487 -0.034 0.000 0.961 694 N HN 0.145 nan 8.380 nan 0.000 0.443 695 F N 1.490 121.392 119.950 -0.079 0.000 2.546 695 F HA -0.001 4.526 4.527 0.000 0.000 0.298 695 F C 1.930 177.731 175.800 0.001 0.000 1.120 695 F CA 0.706 58.656 58.000 -0.083 0.000 1.456 695 F CB -0.066 38.835 39.000 -0.164 0.000 1.088 695 F HN -0.094 nan 8.300 nan 0.000 0.572 696 K N -0.297 120.202 120.400 0.167 0.000 2.281 696 K HA -0.216 4.104 4.320 0.000 0.000 0.203 696 K C 1.600 178.259 176.600 0.098 0.000 1.046 696 K CA 1.093 57.456 56.287 0.126 0.000 0.938 696 K CB -0.120 32.434 32.500 0.089 0.000 0.737 696 K HN 0.223 nan 8.250 nan 0.000 0.458 697 Q N -0.499 119.340 119.800 0.065 0.000 2.392 697 Q HA 0.025 4.365 4.340 0.000 0.000 0.203 697 Q C 0.214 176.251 176.000 0.061 0.000 0.917 697 Q CA 0.129 55.961 55.803 0.048 0.000 0.939 697 Q CB 0.830 29.578 28.738 0.017 0.000 1.063 697 Q HN 0.190 nan 8.270 nan 0.000 0.516 698 V N -3.530 116.431 119.914 0.077 0.000 3.126 698 V HA 0.549 4.669 4.120 0.000 0.000 0.314 698 V C -0.787 175.440 176.094 0.221 0.000 1.138 698 V CA -1.225 61.145 62.300 0.117 0.000 1.034 698 V CB 2.312 34.161 31.823 0.043 0.000 1.075 698 V HN -0.031 nan 8.190 nan 0.000 0.442 699 E N 1.392 121.754 120.200 0.270 0.000 2.109 699 E HA 0.414 4.764 4.350 0.000 0.000 0.278 699 E C -1.883 175.077 176.600 0.599 0.000 0.954 699 E CA -0.339 56.288 56.400 0.379 0.000 0.779 699 E CB 1.756 31.602 29.700 0.243 0.000 1.093 699 E HN 0.690 nan 8.360 nan 0.000 0.401 700 Y N 3.435 123.993 120.300 0.429 0.000 2.393 700 Y HA 0.433 4.983 4.550 0.000 0.000 0.341 700 Y C -1.400 174.601 175.900 0.168 0.000 0.988 700 Y CA -1.195 57.107 58.100 0.336 0.000 1.078 700 Y CB 1.018 39.719 38.460 0.402 0.000 1.203 700 Y HN 0.441 nan 8.280 nan 0.000 0.453 701 L N 7.826 128.766 121.223 -0.471 0.000 2.333 701 L HA 0.513 4.853 4.340 0.000 0.000 0.280 701 L C -1.733 174.676 176.870 -0.768 0.000 1.004 701 L CA -0.846 53.565 54.840 -0.714 0.000 0.820 701 L CB 1.327 42.644 42.059 -1.237 0.000 1.247 701 L HN 0.677 nan 8.230 nan 0.000 0.416 702 L N 6.612 127.512 121.223 -0.539 0.000 2.325 702 L HA 0.585 4.926 4.340 0.000 0.000 0.281 702 L C -0.991 175.771 176.870 -0.180 0.000 1.004 702 L CA -0.458 54.122 54.840 -0.432 0.000 0.823 702 L CB 1.646 43.517 42.059 -0.313 0.000 1.236 702 L HN 0.620 nan 8.230 nan 0.000 0.415 703 I N 3.997 124.466 120.570 -0.168 0.000 2.646 703 I HA 0.525 4.695 4.170 0.000 0.000 0.299 703 I C -0.967 175.150 176.117 0.000 0.000 1.036 703 I CA -0.768 60.486 61.300 -0.077 0.000 1.074 703 I CB 2.101 40.012 38.000 -0.148 0.000 1.258 703 I HN 0.527 nan 8.210 nan 0.000 0.430 704 H N 2.576 121.709 119.070 0.106 0.000 3.151 704 H HA 0.315 4.871 4.556 0.000 0.000 0.333 704 H C -0.770 174.792 175.328 0.390 0.000 1.093 704 H CA -0.613 55.558 56.048 0.205 0.000 1.342 704 H CB 2.204 32.068 29.762 0.170 0.000 1.983 704 H HN 0.764 nan 8.280 nan 0.000 0.503 705 G N 1.167 110.347 108.800 0.632 0.000 2.403 705 G HA2 0.240 4.200 3.960 0.000 0.000 0.259 705 G HA3 0.240 4.200 3.960 0.000 0.000 0.259 705 G C 1.124 176.291 174.900 0.445 0.000 1.244 705 G CA 0.247 45.645 45.100 0.497 0.000 0.849 705 G HN 0.644 nan 8.290 nan 0.000 0.532 706 T N -0.794 113.867 114.554 0.179 0.000 2.995 706 T HA 0.104 4.454 4.350 0.000 0.000 0.269 706 T C 1.777 176.488 174.700 0.018 0.000 1.091 706 T CA 1.225 63.253 62.100 -0.119 0.000 1.128 706 T CB 0.179 68.895 68.868 -0.253 0.000 0.891 706 T HN 0.657 nan 8.240 nan 0.000 0.492 707 A N 0.985 123.895 122.820 0.149 0.000 2.507 707 A HA 0.280 4.600 4.320 0.000 0.000 0.270 707 A C 0.550 178.173 177.584 0.064 0.000 1.318 707 A CA -0.463 51.703 52.037 0.214 0.000 0.924 707 A CB -0.309 18.995 19.000 0.507 0.000 1.061 707 A HN 0.394 nan 8.150 nan 0.000 0.516 708 D N 1.596 122.035 120.400 0.064 0.000 2.363 708 D HA -0.023 4.617 4.640 0.000 0.000 0.263 708 D C 0.298 176.545 176.300 -0.089 0.000 1.258 708 D CA 0.238 54.345 54.000 0.178 0.000 0.907 708 D CB 0.662 41.736 40.800 0.456 0.000 1.107 708 D HN 0.548 nan 8.370 nan 0.000 0.495 709 D N 2.410 122.806 120.400 -0.007 0.000 2.348 709 D HA -0.133 4.507 4.640 0.000 0.000 0.211 709 D C 0.959 177.212 176.300 -0.078 0.000 0.998 709 D CA -0.027 53.871 54.000 -0.168 0.000 0.873 709 D CB 0.367 41.095 40.800 -0.121 0.000 0.925 709 D HN 0.223 nan 8.370 nan 0.000 0.524 710 N N 0.795 119.588 118.700 0.155 0.000 2.335 710 N HA -0.053 4.687 4.740 0.000 0.000 0.197 710 N C -0.116 175.406 175.510 0.021 0.000 1.045 710 N CA 0.550 53.735 53.050 0.224 0.000 0.928 710 N CB 0.189 38.812 38.487 0.227 0.000 1.118 710 N HN -0.115 nan 8.380 nan 0.000 0.471 711 V N 2.937 122.845 119.914 -0.009 0.000 2.320 711 V HA 0.206 4.326 4.120 0.000 0.000 0.265 711 V C -0.468 175.720 176.094 0.156 0.000 1.048 711 V CA -0.437 61.887 62.300 0.040 0.000 0.865 711 V CB -0.404 31.447 31.823 0.045 0.000 1.043 711 V HN 0.320 nan 8.190 nan 0.000 0.474 712 H N 3.643 122.673 119.070 -0.066 0.000 3.001 712 H HA -0.033 4.523 4.556 0.000 0.000 0.334 712 H C 0.826 175.965 175.328 -0.315 0.000 1.034 712 H CA -0.170 55.745 56.048 -0.222 0.000 1.420 712 H CB 0.757 30.311 29.762 -0.346 0.000 1.405 712 H HN 0.644 nan 8.280 nan 0.000 0.593 713 F N 2.476 122.178 119.950 -0.412 0.000 2.184 713 F HA -0.333 4.194 4.527 0.000 0.000 0.301 713 F C 2.602 178.141 175.800 -0.435 0.000 1.076 713 F CA 1.964 59.551 58.000 -0.688 0.000 1.295 713 F CB -0.235 38.542 39.000 -0.372 0.000 1.026 713 F HN 0.670 nan 8.300 nan 0.000 0.494 714 Q N 0.088 119.722 119.800 -0.278 0.000 2.197 714 Q HA -0.305 4.035 4.340 0.000 0.000 0.211 714 Q C 2.012 177.759 176.000 -0.423 0.000 0.993 714 Q CA 2.172 57.770 55.803 -0.341 0.000 0.883 714 Q CB -0.366 28.160 28.738 -0.352 0.000 0.916 714 Q HN 0.611 nan 8.270 nan 0.000 0.418 715 Q N -0.330 119.271 119.800 -0.332 0.000 2.084 715 Q HA -0.095 4.246 4.340 0.000 0.000 0.202 715 Q C 2.196 178.094 176.000 -0.170 0.000 0.978 715 Q CA 1.644 57.367 55.803 -0.134 0.000 0.844 715 Q CB -0.030 28.707 28.738 -0.002 0.000 0.898 715 Q HN 0.325 nan 8.270 nan 0.000 0.426 716 S N 0.489 115.992 115.700 -0.329 0.000 2.436 716 S HA 0.038 4.508 4.470 0.000 0.000 0.228 716 S C 1.946 176.297 174.600 -0.415 0.000 1.014 716 S CA 0.611 58.626 58.200 -0.309 0.000 0.950 716 S CB 0.028 63.068 63.200 -0.267 0.000 0.784 716 S HN 0.437 nan 8.310 nan 0.000 0.504 717 A N 1.157 123.619 122.820 -0.598 0.000 1.969 717 A HA -0.089 4.231 4.320 0.000 0.000 0.218 717 A C 2.088 179.552 177.584 -0.200 0.000 1.169 717 A CA 1.023 52.824 52.037 -0.393 0.000 0.635 717 A CB -0.291 18.511 19.000 -0.330 0.000 0.810 717 A HN 0.348 nan 8.150 nan 0.000 0.445 718 Q N -0.596 119.097 119.800 -0.179 0.000 2.269 718 Q HA 0.088 4.428 4.340 0.000 0.000 0.201 718 Q C 2.025 177.964 176.000 -0.102 0.000 0.946 718 Q CA 0.734 56.488 55.803 -0.082 0.000 0.877 718 Q CB -0.166 28.596 28.738 0.040 0.000 0.963 718 Q HN 0.779 nan 8.270 nan 0.000 0.472 719 I N 1.013 121.497 120.570 -0.144 0.000 2.233 719 I HA -0.246 3.924 4.170 0.000 0.000 0.243 719 I C 2.515 178.460 176.117 -0.287 0.000 1.093 719 I CA 1.313 62.484 61.300 -0.216 0.000 1.380 719 I CB -0.445 37.437 38.000 -0.196 0.000 1.067 719 I HN 0.154 nan 8.210 nan 0.000 0.413 720 S N 1.083 116.649 115.700 -0.223 0.000 2.374 720 S HA -0.307 4.163 4.470 0.000 0.000 0.227 720 S C 2.040 176.599 174.600 -0.068 0.000 1.037 720 S CA 1.675 59.785 58.200 -0.149 0.000 1.024 720 S CB -0.504 62.762 63.200 0.111 0.000 0.861 720 S HN 0.387 nan 8.310 nan 0.000 0.456 721 K N 1.530 121.892 120.400 -0.063 0.000 2.097 721 K HA 0.099 4.419 4.320 0.000 0.000 0.205 721 K C 2.278 178.843 176.600 -0.058 0.000 1.050 721 K CA 1.003 57.270 56.287 -0.033 0.000 0.938 721 K CB -0.589 31.892 32.500 -0.032 0.000 0.718 721 K HN 0.464 nan 8.250 nan 0.000 0.442 722 A N 1.010 123.763 122.820 -0.113 0.000 1.898 722 A HA -0.073 4.247 4.320 0.000 0.000 0.216 722 A C 2.046 179.540 177.584 -0.149 0.000 1.181 722 A CA 1.034 52.998 52.037 -0.122 0.000 0.620 722 A CB -0.516 18.392 19.000 -0.154 0.000 0.819 722 A HN 0.293 nan 8.150 nan 0.000 0.442 723 L N -0.516 120.558 121.223 -0.249 0.000 2.083 723 L HA -0.151 4.190 4.340 0.000 0.000 0.209 723 L C 2.508 179.357 176.870 -0.036 0.000 1.083 723 L CA 1.009 55.694 54.840 -0.258 0.000 0.752 723 L CB -0.514 41.184 42.059 -0.601 0.000 0.899 723 L HN 0.253 nan 8.230 nan 0.000 0.433 724 V N -0.414 119.519 119.914 0.030 0.000 2.307 724 V HA -0.257 3.864 4.120 0.000 0.000 0.245 724 V C 1.999 178.120 176.094 0.046 0.000 1.045 724 V CA 1.752 64.111 62.300 0.097 0.000 1.024 724 V CB -0.478 31.411 31.823 0.110 0.000 0.651 724 V HN 0.412 nan 8.190 nan 0.000 0.449 725 D N -0.289 120.119 120.400 0.014 0.000 2.263 725 D HA -0.104 4.537 4.640 0.000 0.000 0.208 725 D C 1.755 178.061 176.300 0.010 0.000 0.971 725 D CA 0.985 54.990 54.000 0.008 0.000 0.867 725 D CB 0.090 40.887 40.800 -0.005 0.000 0.929 725 D HN 0.339 nan 8.370 nan 0.000 0.492 726 V N -0.485 119.432 119.914 0.005 0.000 3.621 726 V HA 0.209 4.330 4.120 0.000 0.000 0.285 726 V C 1.121 177.236 176.094 0.034 0.000 1.346 726 V CA 0.696 63.004 62.300 0.012 0.000 1.104 726 V CB 0.215 32.036 31.823 -0.003 0.000 0.913 726 V HN 0.348 nan 8.190 nan 0.000 0.432 727 G N 0.859 109.688 108.800 0.048 0.000 2.256 727 G HA2 -0.190 3.770 3.960 0.000 0.000 0.272 727 G HA3 -0.190 3.770 3.960 0.000 0.000 0.272 727 G C -0.056 174.902 174.900 0.098 0.000 1.076 727 G CA 0.288 45.429 45.100 0.069 0.000 0.882 727 G HN 0.414 nan 8.290 nan 0.000 0.497 728 V N 0.649 120.639 119.914 0.126 0.000 2.350 728 V HA 0.437 4.557 4.120 0.000 0.000 0.276 728 V C 0.407 176.696 176.094 0.326 0.000 1.028 728 V CA -0.545 61.866 62.300 0.184 0.000 0.860 728 V CB 1.665 33.571 31.823 0.138 0.000 0.990 728 V HN 0.470 nan 8.190 nan 0.000 0.453 729 D N 4.451 125.016 120.400 0.275 0.000 2.341 729 D HA 0.574 5.214 4.640 0.000 0.000 0.245 729 D C -0.576 175.981 176.300 0.427 0.000 1.106 729 D CA 0.263 54.423 54.000 0.266 0.000 0.905 729 D CB 0.738 41.621 40.800 0.138 0.000 1.202 729 D HN 0.358 nan 8.370 nan 0.000 0.426 730 F N -0.263 119.767 119.950 0.134 0.000 2.773 730 F HA 0.422 4.949 4.527 0.000 0.000 0.314 730 F C -1.602 174.257 175.800 0.099 0.000 1.160 730 F CA -1.173 56.930 58.000 0.173 0.000 0.920 730 F CB 0.586 39.729 39.000 0.239 0.000 1.323 730 F HN 0.086 nan 8.300 nan 0.000 0.457 731 Q N 1.457 121.284 119.800 0.045 0.000 2.214 731 Q HA 0.832 5.172 4.340 0.000 0.000 0.251 731 Q C -0.755 175.172 176.000 -0.122 0.000 0.936 731 Q CA -0.631 55.108 55.803 -0.106 0.000 0.894 731 Q CB 1.941 30.676 28.738 -0.005 0.000 1.252 731 Q HN 1.066 nan 8.270 nan 0.000 0.448 732 A N 1.544 124.279 122.820 -0.142 0.000 2.539 732 A HA 0.833 5.153 4.320 0.000 0.000 0.296 732 A C -1.359 176.169 177.584 -0.095 0.000 1.073 732 A CA -0.577 51.429 52.037 -0.052 0.000 0.700 732 A CB 1.917 20.931 19.000 0.024 0.000 1.296 732 A HN 0.614 nan 8.150 nan 0.000 0.405 733 M N 1.643 121.181 119.600 -0.104 0.000 2.274 733 M HA 0.568 5.048 4.480 0.000 0.000 0.272 733 M C -1.983 174.173 176.300 -0.240 0.000 1.053 733 M CA -0.502 54.591 55.300 -0.346 0.000 0.978 733 M CB 1.045 33.349 32.600 -0.494 0.000 1.836 733 M HN 0.978 nan 8.290 nan 0.000 0.484 734 W N 4.381 125.507 121.300 -0.290 0.000 2.516 734 W HA 0.783 5.443 4.660 0.000 0.000 0.343 734 W C -2.004 174.221 176.519 -0.490 0.000 1.094 734 W CA -0.800 56.439 57.345 -0.177 0.000 1.250 734 W CB 0.451 29.845 29.460 -0.111 0.000 1.308 734 W HN 0.607 nan 8.180 nan 0.000 0.588 735 Y N 2.567 122.978 120.300 0.185 0.000 2.555 735 Y HA 0.271 4.821 4.550 0.000 0.000 0.326 735 Y C 0.796 176.791 175.900 0.158 0.000 0.984 735 Y CA -1.229 56.902 58.100 0.052 0.000 1.298 735 Y CB 1.154 39.630 38.460 0.027 0.000 1.094 735 Y HN 0.635 nan 8.280 nan 0.000 0.500 736 T N 0.850 115.570 114.554 0.275 0.000 2.902 736 T HA 0.080 4.430 4.350 0.000 0.000 0.301 736 T C 0.503 175.255 174.700 0.086 0.000 1.012 736 T CA 0.395 62.586 62.100 0.152 0.000 1.151 736 T CB 0.219 69.107 68.868 0.034 0.000 0.946 736 T HN 0.776 nan 8.240 nan 0.000 0.542 737 D N 0.713 121.127 120.400 0.024 0.000 2.978 737 D HA -0.115 4.526 4.640 0.000 0.000 0.205 737 D C 0.010 176.415 176.300 0.175 0.000 1.093 737 D CA 1.268 55.206 54.000 -0.103 0.000 1.006 737 D CB -0.683 39.901 40.800 -0.360 0.000 1.116 737 D HN 0.739 nan 8.370 nan 0.000 0.419 738 E N 0.879 121.213 120.200 0.224 0.000 2.283 738 E HA 0.388 4.738 4.350 0.000 0.000 0.271 738 E C 0.610 177.399 176.600 0.315 0.000 1.031 738 E CA -0.282 56.278 56.400 0.266 0.000 0.868 738 E CB 1.198 31.044 29.700 0.243 0.000 1.094 738 E HN 0.346 nan 8.360 nan 0.000 0.401 739 D N -1.084 119.515 120.400 0.330 0.000 2.595 739 D HA 0.034 4.675 4.640 0.000 0.000 0.268 739 D C 1.005 177.545 176.300 0.400 0.000 1.181 739 D CA -0.398 53.824 54.000 0.370 0.000 1.085 739 D CB -0.081 40.957 40.800 0.397 0.000 1.186 739 D HN 0.392 nan 8.370 nan 0.000 0.621 740 H N -1.393 117.868 119.070 0.317 0.000 2.496 740 H HA -0.016 4.540 4.556 0.000 0.000 0.296 740 H C 1.844 177.426 175.328 0.423 0.000 1.107 740 H CA 2.232 58.483 56.048 0.338 0.000 1.263 740 H CB -0.341 29.599 29.762 0.297 0.000 1.369 740 H HN 0.515 nan 8.280 nan 0.000 0.541 741 G N -0.546 108.449 108.800 0.324 0.000 2.683 741 G HA2 0.025 3.985 3.960 0.000 0.000 0.213 741 G HA3 0.025 3.985 3.960 0.000 0.000 0.213 741 G C 0.680 175.782 174.900 0.337 0.000 1.142 741 G CA 0.267 45.486 45.100 0.200 0.000 0.793 741 G HN 0.509 nan 8.290 nan 0.000 0.534 742 I N 0.221 120.997 120.570 0.342 0.000 5.115 742 I HA -0.323 3.847 4.170 0.000 0.000 0.126 742 I C 1.473 177.726 176.117 0.227 0.000 1.316 742 I CA 0.182 61.628 61.300 0.243 0.000 2.641 742 I CB -1.117 36.997 38.000 0.190 0.000 2.272 742 I HN 0.262 nan 8.210 nan 0.000 0.321 743 A N 1.191 124.120 122.820 0.181 0.000 2.465 743 A HA 0.327 4.647 4.320 0.000 0.000 0.255 743 A C 1.125 178.767 177.584 0.096 0.000 1.274 743 A CA 0.490 52.604 52.037 0.129 0.000 0.920 743 A CB 0.109 19.148 19.000 0.066 0.000 1.033 743 A HN 0.617 nan 8.150 nan 0.000 0.516 744 S N -0.663 115.103 115.700 0.109 0.000 2.579 744 S HA 0.192 4.662 4.470 0.000 0.000 0.275 744 S C 1.233 175.887 174.600 0.090 0.000 1.345 744 S CA 0.346 58.600 58.200 0.091 0.000 1.031 744 S CB 1.175 64.433 63.200 0.097 0.000 0.892 744 S HN 0.428 nan 8.310 nan 0.000 0.529 745 S N 1.826 117.566 115.700 0.066 0.000 2.359 745 S HA -0.189 4.281 4.470 0.000 0.000 0.223 745 S C 2.120 176.777 174.600 0.096 0.000 1.039 745 S CA 2.338 60.578 58.200 0.068 0.000 1.042 745 S CB -1.575 61.647 63.200 0.036 0.000 0.915 745 S HN 1.038 nan 8.310 nan 0.000 0.439 746 T N 0.024 114.622 114.554 0.073 0.000 2.777 746 T HA 0.129 4.479 4.350 0.000 0.000 0.266 746 T C 1.987 176.733 174.700 0.076 0.000 1.040 746 T CA 1.374 63.516 62.100 0.070 0.000 1.141 746 T CB -0.990 67.908 68.868 0.051 0.000 0.868 746 T HN 0.462 nan 8.240 nan 0.000 0.444 747 A N 1.606 124.451 122.820 0.042 0.000 1.902 747 A HA -0.149 4.171 4.320 0.000 0.000 0.217 747 A C 2.219 179.752 177.584 -0.084 0.000 1.181 747 A CA 2.174 54.166 52.037 -0.075 0.000 0.623 747 A CB -1.314 17.620 19.000 -0.111 0.000 0.818 747 A HN 0.771 nan 8.150 nan 0.000 0.443 748 H N -0.226 118.829 119.070 -0.025 0.000 2.352 748 H HA -0.128 4.428 4.556 0.000 0.000 0.299 748 H C 2.116 177.508 175.328 0.107 0.000 1.097 748 H CA 2.301 58.392 56.048 0.070 0.000 1.311 748 H CB -0.159 29.648 29.762 0.075 0.000 1.377 748 H HN 0.594 nan 8.280 nan 0.000 0.504 749 Q N -1.083 118.728 119.800 0.017 0.000 2.119 749 Q HA -0.166 4.175 4.340 0.000 0.000 0.201 749 Q C 2.134 178.123 176.000 -0.018 0.000 0.972 749 Q CA 1.165 56.941 55.803 -0.046 0.000 0.847 749 Q CB -0.139 28.608 28.738 0.015 0.000 0.903 749 Q HN 0.654 nan 8.270 nan 0.000 0.433 750 H N 0.884 119.920 119.070 -0.056 0.000 2.326 750 H HA -0.062 4.494 4.556 0.000 0.000 0.301 750 H C 2.048 177.364 175.328 -0.020 0.000 1.081 750 H CA 1.245 57.290 56.048 -0.006 0.000 1.334 750 H CB 0.011 29.812 29.762 0.064 0.000 1.385 750 H HN 0.259 nan 8.280 nan 0.000 0.504 751 I N 0.207 120.722 120.570 -0.091 0.000 2.286 751 I HA -0.316 3.854 4.170 0.000 0.000 0.248 751 I C 1.673 177.546 176.117 -0.406 0.000 1.115 751 I CA 1.248 62.414 61.300 -0.223 0.000 1.392 751 I CB -0.224 37.467 38.000 -0.514 0.000 1.065 751 I HN 0.155 nan 8.210 nan 0.000 0.418 752 Y N 0.516 120.607 120.300 -0.349 0.000 2.457 752 Y HA -0.129 4.421 4.550 0.000 0.000 0.292 752 Y C 2.622 178.344 175.900 -0.297 0.000 1.125 752 Y CA 1.433 59.232 58.100 -0.503 0.000 1.254 752 Y CB -0.540 37.643 38.460 -0.461 0.000 1.012 752 Y HN 0.125 nan 8.280 nan 0.000 0.555 753 T N -1.763 112.733 114.554 -0.097 0.000 2.812 753 T HA -0.181 4.170 4.350 0.000 0.000 0.264 753 T C 1.532 176.147 174.700 -0.141 0.000 1.042 753 T CA 1.675 63.696 62.100 -0.133 0.000 1.140 753 T CB -0.331 68.466 68.868 -0.119 0.000 0.870 753 T HN 0.379 nan 8.240 nan 0.000 0.445 754 H N 1.145 120.101 119.070 -0.190 0.000 2.326 754 H HA 0.122 4.678 4.556 0.000 0.000 0.301 754 H C 2.182 177.495 175.328 -0.025 0.000 1.081 754 H CA 1.567 57.568 56.048 -0.078 0.000 1.334 754 H CB -0.264 29.406 29.762 -0.154 0.000 1.385 754 H HN 0.222 nan 8.280 nan 0.000 0.504 755 M N -0.697 118.831 119.600 -0.119 0.000 2.159 755 M HA -0.178 4.302 4.480 0.000 0.000 0.263 755 M C 2.418 178.831 176.300 0.188 0.000 1.063 755 M CA 1.518 56.734 55.300 -0.138 0.000 1.110 755 M CB -0.140 32.092 32.600 -0.614 0.000 1.374 755 M HN 0.211 nan 8.290 nan 0.000 0.411 756 S N -0.555 115.291 115.700 0.244 0.000 2.359 756 S HA -0.161 4.309 4.470 0.000 0.000 0.224 756 S C 1.691 176.379 174.600 0.146 0.000 1.035 756 S CA 1.075 59.506 58.200 0.384 0.000 1.018 756 S CB -0.579 62.811 63.200 0.317 0.000 0.876 756 S HN 0.469 nan 8.310 nan 0.000 0.448 757 H N -0.178 118.961 119.070 0.114 0.000 2.353 757 H HA -0.050 4.506 4.556 0.000 0.000 0.300 757 H C 2.000 177.332 175.328 0.007 0.000 1.090 757 H CA 1.357 57.424 56.048 0.032 0.000 1.327 757 H CB -0.782 28.955 29.762 -0.042 0.000 1.383 757 H HN 0.443 nan 8.280 nan 0.000 0.508 758 F N 1.541 121.471 119.950 -0.033 0.000 2.069 758 F HA -0.213 4.314 4.527 0.000 0.000 0.298 758 F C 2.312 178.066 175.800 -0.077 0.000 1.113 758 F CA 1.035 58.983 58.000 -0.086 0.000 1.214 758 F CB -0.356 38.563 39.000 -0.136 0.000 0.978 758 F HN -0.044 nan 8.300 nan 0.000 0.474 759 I N 0.831 121.413 120.570 0.019 0.000 2.226 759 I HA -0.281 3.890 4.170 0.000 0.000 0.245 759 I C 2.214 178.152 176.117 -0.299 0.000 1.100 759 I CA 1.520 62.680 61.300 -0.232 0.000 1.374 759 I CB -1.365 36.591 38.000 -0.073 0.000 1.057 759 I HN 0.255 nan 8.210 nan 0.000 0.413 760 K N 0.303 120.661 120.400 -0.070 0.000 2.097 760 K HA -0.190 4.130 4.320 0.000 0.000 0.205 760 K C 2.017 178.610 176.600 -0.012 0.000 1.050 760 K CA 0.833 57.130 56.287 0.018 0.000 0.938 760 K CB -0.283 32.268 32.500 0.086 0.000 0.718 760 K HN 0.384 nan 8.250 nan 0.000 0.442 761 Q N 1.513 121.265 119.800 -0.081 0.000 2.084 761 Q HA -0.192 4.148 4.340 0.000 0.000 0.202 761 Q C 2.239 178.150 176.000 -0.148 0.000 0.978 761 Q CA 1.715 57.456 55.803 -0.103 0.000 0.844 761 Q CB -0.525 28.132 28.738 -0.136 0.000 0.898 761 Q HN 0.377 nan 8.270 nan 0.000 0.426 762 c N 0.111 118.520 118.600 -0.318 0.000 2.432 762 c HA -0.038 4.532 4.570 0.000 0.000 0.280 762 c C 2.228 176.337 174.090 0.031 0.000 1.353 762 c CA 0.304 56.460 56.329 -0.289 0.000 1.766 762 c CB -1.292 40.870 42.510 -0.580 0.000 1.924 762 c HN 0.536 nan 8.230 nan 0.000 0.509 763 F N 1.074 120.982 119.950 -0.069 0.000 2.746 763 F HA 0.322 4.849 4.527 0.000 0.000 0.297 763 F C 1.595 177.380 175.800 -0.026 0.000 1.113 763 F CA -0.001 57.980 58.000 -0.031 0.000 1.367 763 F CB -0.748 38.240 39.000 -0.019 0.000 1.111 763 F HN 0.135 nan 8.300 nan 0.000 0.590 764 S N 0.000 115.791 115.700 0.151 0.000 2.498 764 S HA 0.000 4.470 4.470 0.000 0.000 0.327 764 S CA 0.000 58.247 58.200 0.079 0.000 1.107 764 S CB 0.000 63.236 63.200 0.060 0.000 0.593 764 S HN 0.000 nan 8.310 nan 0.000 0.517