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 2ajb_1_D DATA FIRST_RESID 39 DATA SEQUENCE SRRTYTLTDY LKSTFRVKFY TLQWISDHEY LYKQENNILL FNAEYGNSSI DATA SEQUENCE FLENSTFDEL GYSTNDYSVS PDRQFILFEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWITWS PVGHKLAYVW NNDIYVKNEP NLSSQRITWT DATA SEQUENCE GKENVIYNGV TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRIPYPK AGAENPTVKF FVVDTRTLSP NASVTSYQIV DATA SEQUENCE PPASVLIGDH YLCGVTWVTE ERISLQWIRR AQNYSIIDIC DYDESTGRWI DATA SEQUENCE SSVARQHIEI STTGWVGRFR PAEPHFTSDG NSFYKIISNE EGYKHIcHFQ DATA SEQUENCE TDKSNcTFIT KGAWEVIGIE ALTSDYLYYI SNEHKGMPGG RNLYRIQLND DATA SEQUENCE YTKVTCLSCE LNPERcQYYS ASFSNKAKYY QLRcFGPGLP LYTLHSSSSD DATA SEQUENCE KELRVLEDNS ALDKMLQDVQ MPSKKLDVIN LHGTKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLIEVYA GPCSQKVDTV FRLSWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE ATRQFSKMGF VDDKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGAGSGVFK cGIAVAPVSK WEYYDSVYTE RYMGLPTPED NLDYYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ LSKALVDAGV DFQTMWYTDE DATA SEQUENCE DHGIASNMAH QHIYTHMSHF LKQcFSLP 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 0.000 174.639 174.600 0.064 0.000 1.055 39 S CA 0.000 58.229 58.200 0.048 0.000 1.107 39 S CB 0.000 63.229 63.200 0.048 0.000 0.593 40 R N 2.202 122.749 120.500 0.078 0.000 2.570 40 R HA 0.323 4.663 4.340 0.000 0.000 0.277 40 R C 0.035 176.399 176.300 0.107 0.000 1.039 40 R CA 0.180 56.335 56.100 0.093 0.000 1.065 40 R CB 0.349 30.708 30.300 0.098 0.000 0.964 40 R HN 0.399 nan 8.270 nan 0.000 0.428 41 R N 0.689 121.260 120.500 0.119 0.000 2.707 41 R HA 0.146 4.486 4.340 0.000 0.000 0.270 41 R C 0.302 176.699 176.300 0.162 0.000 1.083 41 R CA -0.254 55.928 56.100 0.137 0.000 1.182 41 R CB 0.153 30.548 30.300 0.159 0.000 1.084 41 R HN 0.605 nan 8.270 nan 0.000 0.528 42 T N -2.533 112.127 114.554 0.177 0.000 2.948 42 T HA 0.210 4.560 4.350 0.000 0.000 0.285 42 T C -0.799 174.073 174.700 0.286 0.000 1.019 42 T CA -0.773 61.453 62.100 0.211 0.000 1.013 42 T CB 0.739 69.721 68.868 0.190 0.000 1.117 42 T HN 0.496 nan 8.240 nan 0.000 0.533 43 Y N 2.799 123.214 120.300 0.192 0.000 2.539 43 Y HA 0.354 4.904 4.550 0.000 0.000 0.352 43 Y C 1.093 177.178 175.900 0.308 0.000 1.004 43 Y CA -0.461 57.793 58.100 0.258 0.000 1.278 43 Y CB -0.333 38.251 38.460 0.207 0.000 1.136 43 Y HN 0.996 nan 8.280 nan 0.000 0.528 44 T N 2.471 117.018 114.554 -0.012 0.000 2.828 44 T HA 0.060 4.410 4.350 0.000 0.000 0.290 44 T C 1.085 175.612 174.700 -0.289 0.000 1.019 44 T CA -0.601 61.477 62.100 -0.037 0.000 1.031 44 T CB 1.079 69.902 68.868 -0.075 0.000 1.001 44 T HN 0.730 nan 8.240 nan 0.000 0.531 45 L N 1.299 122.153 121.223 -0.615 0.000 2.083 45 L HA 0.051 4.391 4.340 0.000 0.000 0.209 45 L C 2.606 179.285 176.870 -0.318 0.000 1.083 45 L CA 2.013 56.366 54.840 -0.812 0.000 0.752 45 L CB -1.392 40.068 42.059 -0.997 0.000 0.899 45 L HN 0.948 nan 8.230 nan 0.000 0.433 46 T N -0.486 113.908 114.554 -0.266 0.000 2.777 46 T HA -0.148 4.202 4.350 0.000 0.000 0.266 46 T C 1.485 176.052 174.700 -0.221 0.000 1.040 46 T CA 1.455 63.437 62.100 -0.196 0.000 1.141 46 T CB -0.275 68.502 68.868 -0.151 0.000 0.868 46 T HN 0.427 nan 8.240 nan 0.000 0.444 47 D N -0.031 120.193 120.400 -0.294 0.000 2.123 47 D HA -0.103 4.537 4.640 0.000 0.000 0.196 47 D C 1.690 177.816 176.300 -0.291 0.000 0.992 47 D CA 1.105 54.877 54.000 -0.380 0.000 0.833 47 D CB -0.267 40.175 40.800 -0.595 0.000 0.954 47 D HN 0.458 nan 8.370 nan 0.000 0.455 48 Y N 1.359 121.434 120.300 -0.375 0.000 2.220 48 Y HA -0.056 4.494 4.550 0.000 0.000 0.291 48 Y C 2.190 178.073 175.900 -0.028 0.000 1.129 48 Y CA 1.098 59.160 58.100 -0.064 0.000 1.161 48 Y CB -0.438 38.056 38.460 0.057 0.000 0.997 48 Y HN -0.112 nan 8.280 nan 0.000 0.522 49 L N 0.101 121.109 121.223 -0.358 0.000 2.141 49 L HA -0.150 4.190 4.340 0.000 0.000 0.209 49 L C 1.696 178.432 176.870 -0.223 0.000 1.094 49 L CA 1.504 56.128 54.840 -0.360 0.000 0.763 49 L CB -0.423 41.513 42.059 -0.205 0.000 0.908 49 L HN 0.122 nan 8.230 nan 0.000 0.437 50 K N -0.516 119.771 120.400 -0.188 0.000 2.399 50 K HA 0.185 4.505 4.320 0.000 0.000 0.204 50 K C 0.411 176.933 176.600 -0.130 0.000 1.023 50 K CA -0.038 56.166 56.287 -0.138 0.000 1.127 50 K CB 0.742 33.166 32.500 -0.126 0.000 0.856 50 K HN 0.011 nan 8.250 nan 0.000 0.514 51 S N 1.408 117.029 115.700 -0.131 0.000 3.486 51 S HA -0.192 4.278 4.470 0.000 0.000 0.371 51 S C 1.458 176.018 174.600 -0.068 0.000 1.001 51 S CA 1.117 59.289 58.200 -0.047 0.000 1.164 51 S CB -1.829 61.353 63.200 -0.030 0.000 0.911 51 S HN 0.728 nan 8.310 nan 0.000 0.472 52 T N -1.862 112.578 114.554 -0.190 0.000 2.721 52 T HA -0.139 4.211 4.350 0.000 0.000 0.268 52 T C 0.385 174.852 174.700 -0.389 0.000 1.038 52 T CA 1.168 63.043 62.100 -0.375 0.000 1.145 52 T CB -0.501 67.984 68.868 -0.638 0.000 0.858 52 T HN 0.385 nan 8.240 nan 0.000 0.459 53 F N 2.020 122.034 119.950 0.106 0.000 2.332 53 F HA 0.656 5.183 4.527 0.000 0.000 0.368 53 F C 0.464 176.335 175.800 0.119 0.000 1.110 53 F CA -1.474 56.607 58.000 0.135 0.000 1.087 53 F CB 0.869 40.007 39.000 0.231 0.000 1.235 53 F HN -0.208 nan 8.300 nan 0.000 0.470 54 R N 1.439 122.063 120.500 0.208 0.000 2.390 54 R HA 0.506 4.846 4.340 0.000 0.000 0.291 54 R C -0.891 175.472 176.300 0.105 0.000 1.070 54 R CA -0.465 55.702 56.100 0.112 0.000 1.014 54 R CB 0.984 31.293 30.300 0.014 0.000 1.007 54 R HN 0.409 nan 8.270 nan 0.000 0.466 55 V N 5.259 125.229 119.914 0.094 0.000 2.304 55 V HA 0.212 4.332 4.120 0.000 0.000 0.269 55 V C 0.207 176.260 176.094 -0.068 0.000 1.036 55 V CA -0.552 61.808 62.300 0.100 0.000 0.840 55 V CB 0.712 32.675 31.823 0.233 0.000 1.036 55 V HN 0.604 nan 8.190 nan 0.000 0.466 56 K N 4.710 125.033 120.400 -0.128 0.000 2.295 56 K HA 0.496 4.816 4.320 0.000 0.000 0.270 56 K C -0.440 176.022 176.600 -0.230 0.000 1.011 56 K CA 0.006 56.085 56.287 -0.346 0.000 0.953 56 K CB 0.805 33.188 32.500 -0.195 0.000 0.956 56 K HN 0.561 nan 8.250 nan 0.000 0.477 57 F N -0.457 119.464 119.950 -0.049 0.000 2.900 57 F HA 0.534 5.061 4.527 0.000 0.000 0.375 57 F C -0.974 174.529 175.800 -0.495 0.000 1.258 57 F CA -1.529 56.263 58.000 -0.346 0.000 1.094 57 F CB 0.421 39.370 39.000 -0.085 0.000 1.505 57 F HN 0.379 nan 8.300 nan 0.000 0.510 58 Y N 0.268 120.266 120.300 -0.503 0.000 2.301 58 Y HA 0.437 4.987 4.550 0.000 0.000 0.334 58 Y C -1.200 174.587 175.900 -0.189 0.000 1.158 58 Y CA -0.668 57.248 58.100 -0.306 0.000 1.266 58 Y CB 0.992 39.097 38.460 -0.590 0.000 1.153 58 Y HN 0.718 nan 8.280 nan 0.000 0.453 59 T N 6.996 121.521 114.554 -0.048 0.000 2.771 59 T HA 0.605 4.955 4.350 0.000 0.000 0.291 59 T C -0.842 173.838 174.700 -0.032 0.000 0.954 59 T CA -0.260 61.806 62.100 -0.057 0.000 1.045 59 T CB 0.181 68.977 68.868 -0.120 0.000 0.917 59 T HN 0.499 nan 8.240 nan 0.000 0.484 60 L N 2.049 123.215 121.223 -0.094 0.000 2.371 60 L HA 0.724 5.064 4.340 0.000 0.000 0.262 60 L C -0.788 176.004 176.870 -0.129 0.000 1.006 60 L CA -1.025 53.718 54.840 -0.161 0.000 0.818 60 L CB 1.730 43.377 42.059 -0.685 0.000 1.354 60 L HN 0.419 nan 8.230 nan 0.000 0.415 61 Q N 1.476 121.278 119.800 0.004 0.000 2.381 61 Q HA 0.374 4.714 4.340 0.000 0.000 0.263 61 Q C -1.682 174.425 176.000 0.178 0.000 1.030 61 Q CA -0.168 55.694 55.803 0.098 0.000 0.772 61 Q CB 1.311 30.152 28.738 0.171 0.000 1.232 61 Q HN 0.672 nan 8.270 nan 0.000 0.476 62 W N 4.153 125.565 121.300 0.187 0.000 2.308 62 W HA 0.101 4.761 4.660 -0.000 0.000 0.324 62 W C 1.195 177.812 176.519 0.164 0.000 1.387 62 W CA -0.309 57.160 57.345 0.206 0.000 1.250 62 W CB 0.507 30.078 29.460 0.186 0.000 1.257 62 W HN 0.689 nan 8.180 nan 0.000 0.554 63 I N 0.543 121.368 120.570 0.425 0.000 4.227 63 I HA 0.291 4.461 4.170 0.000 0.000 0.334 63 I C 0.613 176.840 176.117 0.184 0.000 1.341 63 I CA -0.124 61.319 61.300 0.238 0.000 1.123 63 I CB 0.061 38.137 38.000 0.125 0.000 1.097 63 I HN 0.229 nan 8.210 nan 0.000 0.399 64 S N 0.586 116.411 115.700 0.208 0.000 2.819 64 S HA 0.256 4.726 4.470 0.000 0.000 0.299 64 S C 0.085 174.756 174.600 0.119 0.000 1.192 64 S CA 0.056 58.326 58.200 0.117 0.000 0.847 64 S CB 1.146 64.341 63.200 -0.008 0.000 1.224 64 S HN 0.297 nan 8.310 nan 0.000 0.537 65 D N -0.063 120.426 120.400 0.148 0.000 2.349 65 D HA -0.037 4.603 4.640 0.000 0.000 0.224 65 D C 0.966 177.431 176.300 0.275 0.000 1.029 65 D CA 1.018 55.106 54.000 0.147 0.000 0.879 65 D CB -0.551 40.357 40.800 0.181 0.000 0.906 65 D HN 0.850 nan 8.370 nan 0.000 0.528 66 H N -1.981 117.201 119.070 0.187 0.000 3.566 66 H HA 0.414 4.970 4.556 0.000 0.000 0.259 66 H C -0.708 174.781 175.328 0.268 0.000 1.184 66 H CA -0.449 55.725 56.048 0.210 0.000 1.107 66 H CB -0.209 29.691 29.762 0.231 0.000 1.726 66 H HN 0.034 nan 8.280 nan 0.000 0.743 67 E N 1.041 121.301 120.200 0.100 0.000 2.343 67 E HA 0.484 4.834 4.350 0.000 0.000 0.270 67 E C -1.579 175.280 176.600 0.432 0.000 0.895 67 E CA -1.218 55.257 56.400 0.125 0.000 0.767 67 E CB 2.884 32.511 29.700 -0.122 0.000 1.248 67 E HN 0.287 nan 8.360 nan 0.000 0.440 68 Y N -0.801 119.595 120.300 0.159 0.000 2.571 68 Y HA 0.581 5.131 4.550 -0.000 0.000 0.341 68 Y C -1.909 174.035 175.900 0.075 0.000 1.076 68 Y CA -1.374 56.742 58.100 0.027 0.000 1.029 68 Y CB 0.789 38.956 38.460 -0.488 0.000 1.308 68 Y HN 0.366 nan 8.280 nan 0.000 0.461 69 L N 3.580 124.995 121.223 0.319 0.000 2.325 69 L HA 0.508 4.848 4.340 0.000 0.000 0.279 69 L C -1.281 175.876 176.870 0.478 0.000 1.054 69 L CA -0.985 54.009 54.840 0.257 0.000 0.804 69 L CB 1.483 43.583 42.059 0.068 0.000 1.200 69 L HN 0.789 nan 8.230 nan 0.000 0.436 70 Y N 2.904 123.397 120.300 0.322 0.000 2.433 70 Y HA 0.337 4.887 4.550 0.000 0.000 0.337 70 Y C -0.608 175.413 175.900 0.201 0.000 1.026 70 Y CA -1.372 56.866 58.100 0.229 0.000 1.037 70 Y CB 1.598 40.222 38.460 0.273 0.000 1.245 70 Y HN 0.502 nan 8.280 nan 0.000 0.443 71 K N 5.098 125.278 120.400 -0.367 0.000 2.234 71 K HA 0.445 4.765 4.320 0.000 0.000 0.282 71 K C -1.195 174.995 176.600 -0.684 0.000 1.039 71 K CA -0.343 55.770 56.287 -0.290 0.000 0.928 71 K CB 0.794 33.273 32.500 -0.034 0.000 1.039 71 K HN 0.846 nan 8.250 nan 0.000 0.470 72 Q N 3.760 123.366 119.800 -0.323 0.000 2.280 72 Q HA 0.097 4.437 4.340 0.000 0.000 0.259 72 Q C -1.296 174.665 176.000 -0.064 0.000 0.964 72 Q CA -0.260 55.404 55.803 -0.232 0.000 0.844 72 Q CB 1.249 29.941 28.738 -0.078 0.000 1.334 72 Q HN 0.863 nan 8.270 nan 0.000 0.423 73 E N 3.038 123.207 120.200 -0.052 0.000 2.586 73 E HA -0.327 4.023 4.350 0.000 0.000 0.259 73 E C -0.572 176.022 176.600 -0.009 0.000 1.107 73 E CA 0.717 57.104 56.400 -0.021 0.000 0.754 73 E CB -1.058 28.643 29.700 0.002 0.000 1.335 73 E HN 0.917 nan 8.360 nan 0.000 0.411 74 N N -1.856 116.832 118.700 -0.021 0.000 2.828 74 N HA -0.182 4.558 4.740 0.000 0.000 0.248 74 N C -0.679 174.933 175.510 0.169 0.000 1.044 74 N CA 1.630 54.698 53.050 0.029 0.000 0.851 74 N CB -1.502 36.987 38.487 0.005 0.000 1.136 74 N HN 0.452 nan 8.380 nan 0.000 0.572 75 N N 0.389 119.138 118.700 0.083 0.000 2.430 75 N HA 0.609 5.349 4.740 0.000 0.000 0.298 75 N C -0.141 175.402 175.510 0.055 0.000 1.130 75 N CA -0.476 52.615 53.050 0.069 0.000 0.894 75 N CB 1.520 40.021 38.487 0.023 0.000 1.209 75 N HN 0.074 nan 8.380 nan 0.000 0.503 76 I N 2.268 122.857 120.570 0.031 0.000 2.307 76 I HA 0.264 4.434 4.170 0.000 0.000 0.289 76 I C -0.378 175.785 176.117 0.076 0.000 1.021 76 I CA -0.449 60.859 61.300 0.014 0.000 1.224 76 I CB 0.402 38.337 38.000 -0.109 0.000 1.376 76 I HN 0.257 nan 8.210 nan 0.000 0.470 77 L N 6.084 127.368 121.223 0.102 0.000 2.416 77 L HA 0.547 4.887 4.340 0.000 0.000 0.263 77 L C -0.596 176.287 176.870 0.022 0.000 1.065 77 L CA -1.010 53.848 54.840 0.030 0.000 0.798 77 L CB 1.365 43.384 42.059 -0.066 0.000 1.267 77 L HN 0.404 nan 8.230 nan 0.000 0.467 78 L N 1.014 122.154 121.223 -0.138 0.000 2.442 78 L HA 0.478 4.818 4.340 0.000 0.000 0.261 78 L C -1.215 175.484 176.870 -0.285 0.000 1.000 78 L CA 0.090 54.865 54.840 -0.108 0.000 0.882 78 L CB 0.630 42.701 42.059 0.019 0.000 1.207 78 L HN 0.155 nan 8.230 nan 0.000 0.443 79 F N 3.096 122.817 119.950 -0.382 0.000 2.384 79 F HA 0.397 4.924 4.527 -0.000 0.000 0.338 79 F C 1.057 176.604 175.800 -0.422 0.000 1.103 79 F CA -0.114 57.586 58.000 -0.500 0.000 1.157 79 F CB 0.987 39.397 39.000 -0.983 0.000 1.167 79 F HN 0.517 nan 8.300 nan 0.000 0.529 80 N N 2.741 121.422 118.700 -0.031 0.000 2.546 80 N HA 0.372 5.112 4.740 0.000 0.000 0.238 80 N C -0.427 175.115 175.510 0.055 0.000 0.984 80 N CA -0.212 52.881 53.050 0.072 0.000 0.935 80 N CB 1.036 39.652 38.487 0.216 0.000 1.122 80 N HN 0.755 nan 8.380 nan 0.000 0.510 81 A N 2.291 125.091 122.820 -0.033 0.000 2.504 81 A HA 0.061 4.381 4.320 0.000 0.000 0.242 81 A C 1.057 178.484 177.584 -0.261 0.000 1.100 81 A CA 0.951 52.890 52.037 -0.164 0.000 0.786 81 A CB -0.066 18.713 19.000 -0.368 0.000 1.050 81 A HN 0.955 nan 8.150 nan 0.000 0.512 82 E N -1.769 118.289 120.200 -0.236 0.000 4.120 82 E HA -0.338 4.012 4.350 0.000 0.000 0.191 82 E C 1.169 177.712 176.600 -0.094 0.000 1.227 82 E CA 1.999 58.309 56.400 -0.151 0.000 2.327 82 E CB -1.486 28.073 29.700 -0.235 0.000 1.820 82 E HN 0.746 nan 8.360 nan 0.000 0.383 83 Y N -0.161 120.153 120.300 0.024 0.000 2.200 83 Y HA 0.044 4.594 4.550 0.000 0.000 0.290 83 Y C 2.431 178.345 175.900 0.024 0.000 1.137 83 Y CA 2.261 60.377 58.100 0.027 0.000 1.163 83 Y CB -0.332 38.146 38.460 0.030 0.000 0.988 83 Y HN 0.615 nan 8.280 nan 0.000 0.518 84 G N -0.232 108.682 108.800 0.190 0.000 2.195 84 G HA2 -0.310 3.650 3.960 0.000 0.000 0.246 84 G HA3 -0.310 3.650 3.960 0.000 0.000 0.246 84 G C 0.121 175.129 174.900 0.180 0.000 0.984 84 G CA 0.139 45.337 45.100 0.163 0.000 0.633 84 G HN 0.517 nan 8.290 nan 0.000 0.525 85 N N 0.929 119.705 118.700 0.128 0.000 2.453 85 N HA 0.485 5.225 4.740 0.000 0.000 0.253 85 N C 0.024 175.478 175.510 -0.094 0.000 1.252 85 N CA 0.810 53.872 53.050 0.019 0.000 0.917 85 N CB 1.369 39.845 38.487 -0.020 0.000 1.117 85 N HN 1.026 nan 8.380 nan 0.000 0.442 86 S N -1.015 114.538 115.700 -0.245 0.000 2.595 86 S HA 0.706 5.176 4.470 0.000 0.000 0.281 86 S C -0.777 173.624 174.600 -0.332 0.000 1.117 86 S CA -0.904 56.977 58.200 -0.531 0.000 0.873 86 S CB 1.351 63.773 63.200 -1.296 0.000 1.108 86 S HN 0.926 nan 8.310 nan 0.000 0.477 87 S N 0.930 116.455 115.700 -0.292 0.000 2.549 87 S HA 0.652 5.122 4.470 0.000 0.000 0.280 87 S C -0.559 173.975 174.600 -0.110 0.000 1.109 87 S CA -1.000 57.106 58.200 -0.157 0.000 0.905 87 S CB 0.580 63.724 63.200 -0.092 0.000 1.081 87 S HN 0.780 nan 8.310 nan 0.000 0.477 88 I N 3.064 123.587 120.570 -0.077 0.000 2.662 88 I HA 0.078 4.248 4.170 0.000 0.000 0.285 88 I C 0.504 176.624 176.117 0.005 0.000 1.161 88 I CA 0.114 61.391 61.300 -0.038 0.000 1.415 88 I CB 0.260 38.227 38.000 -0.055 0.000 1.385 88 I HN 0.832 nan 8.210 nan 0.000 0.552 89 F N 7.801 127.690 119.950 -0.102 0.000 2.559 89 F HA 0.359 4.886 4.527 -0.000 0.000 0.286 89 F C -0.003 175.736 175.800 -0.101 0.000 1.108 89 F CA 0.056 58.002 58.000 -0.090 0.000 1.436 89 F CB 0.614 39.570 39.000 -0.074 0.000 1.130 89 F HN 0.298 nan 8.300 nan 0.000 0.584 90 L N 1.087 122.333 121.223 0.038 0.000 2.588 90 L HA 0.312 4.652 4.340 0.000 0.000 0.263 90 L C -1.147 175.636 176.870 -0.145 0.000 0.935 90 L CA -0.480 54.295 54.840 -0.108 0.000 0.891 90 L CB 1.733 43.715 42.059 -0.130 0.000 1.318 90 L HN -0.057 nan 8.230 nan 0.000 0.409 91 E N 2.168 122.268 120.200 -0.167 0.000 2.338 91 E HA 0.119 4.469 4.350 0.000 0.000 0.272 91 E C 0.418 176.920 176.600 -0.163 0.000 1.029 91 E CA -0.011 56.312 56.400 -0.129 0.000 0.872 91 E CB 0.755 30.392 29.700 -0.105 0.000 1.015 91 E HN 0.680 nan 8.360 nan 0.000 0.417 92 N N 1.524 120.196 118.700 -0.047 0.000 2.334 92 N HA -0.211 4.529 4.740 0.000 0.000 0.187 92 N C 1.077 176.579 175.510 -0.013 0.000 1.016 92 N CA 1.182 54.269 53.050 0.061 0.000 0.879 92 N CB -0.191 38.348 38.487 0.086 0.000 0.965 92 N HN 0.168 nan 8.380 nan 0.000 0.438 93 S N 0.069 115.724 115.700 -0.074 0.000 2.359 93 S HA -0.181 4.289 4.470 0.000 0.000 0.223 93 S C 1.853 176.368 174.600 -0.141 0.000 1.039 93 S CA 1.826 59.976 58.200 -0.084 0.000 1.042 93 S CB -1.014 62.139 63.200 -0.080 0.000 0.915 93 S HN 0.513 nan 8.310 nan 0.000 0.439 94 T N 1.908 116.317 114.554 -0.242 0.000 2.721 94 T HA -0.136 4.214 4.350 0.000 0.000 0.268 94 T C 1.376 175.824 174.700 -0.419 0.000 1.038 94 T CA 1.503 63.377 62.100 -0.377 0.000 1.145 94 T CB -0.504 68.016 68.868 -0.580 0.000 0.858 94 T HN 0.286 nan 8.240 nan 0.000 0.459 95 F N 1.756 121.517 119.950 -0.315 0.000 2.163 95 F HA -0.002 4.525 4.527 -0.000 0.000 0.297 95 F C 2.312 177.929 175.800 -0.304 0.000 1.094 95 F CA 0.532 58.313 58.000 -0.365 0.000 1.290 95 F CB -0.684 38.146 39.000 -0.284 0.000 1.017 95 F HN 0.122 nan 8.300 nan 0.000 0.483 96 D N 0.166 120.554 120.400 -0.021 0.000 2.178 96 D HA -0.163 4.477 4.640 0.000 0.000 0.201 96 D C 1.925 178.148 176.300 -0.128 0.000 0.980 96 D CA 1.186 55.141 54.000 -0.076 0.000 0.842 96 D CB -0.487 40.279 40.800 -0.057 0.000 0.948 96 D HN 0.423 nan 8.370 nan 0.000 0.472 97 E N 0.112 120.229 120.200 -0.139 0.000 2.268 97 E HA -0.019 4.331 4.350 0.000 0.000 0.195 97 E C 0.576 177.055 176.600 -0.202 0.000 0.995 97 E CA 0.082 56.398 56.400 -0.140 0.000 0.836 97 E CB 0.129 29.764 29.700 -0.107 0.000 0.763 97 E HN 0.288 nan 8.360 nan 0.000 0.491 98 L N 0.554 121.587 121.223 -0.316 0.000 2.439 98 L HA 0.133 4.473 4.340 0.000 0.000 0.269 98 L C 1.283 177.764 176.870 -0.648 0.000 1.179 98 L CA -0.317 54.192 54.840 -0.551 0.000 0.828 98 L CB 0.567 42.135 42.059 -0.819 0.000 1.106 98 L HN 0.021 nan 8.230 nan 0.000 0.467 99 G N 2.297 110.699 108.800 -0.664 0.000 3.452 99 G HA2 0.281 4.241 3.960 0.000 0.000 0.258 99 G HA3 0.281 4.241 3.960 0.000 0.000 0.258 99 G C -0.438 174.277 174.900 -0.309 0.000 1.305 99 G CA 0.209 45.082 45.100 -0.379 0.000 1.514 99 G HN 0.628 nan 8.290 nan 0.000 0.593 100 Y N -4.150 116.059 120.300 -0.152 0.000 2.851 100 Y HA 0.597 5.147 4.550 0.000 0.000 0.359 100 Y C -0.491 175.343 175.900 -0.111 0.000 1.231 100 Y CA -2.116 55.906 58.100 -0.130 0.000 1.106 100 Y CB 0.220 38.556 38.460 -0.207 0.000 1.409 100 Y HN -0.151 nan 8.280 nan 0.000 0.454 101 S N 1.062 116.907 115.700 0.242 0.000 2.448 101 S HA 0.406 4.876 4.470 0.000 0.000 0.279 101 S C -0.497 174.226 174.600 0.205 0.000 1.195 101 S CA -0.449 57.822 58.200 0.117 0.000 1.051 101 S CB 0.209 63.439 63.200 0.050 0.000 0.948 101 S HN 0.555 nan 8.310 nan 0.000 0.493 102 T N 4.220 118.831 114.554 0.094 0.000 2.738 102 T HA 0.094 4.444 4.350 0.000 0.000 0.294 102 T C 1.560 176.236 174.700 -0.040 0.000 0.914 102 T CA -0.417 61.744 62.100 0.102 0.000 1.052 102 T CB 0.119 68.979 68.868 -0.013 0.000 0.897 102 T HN 0.626 nan 8.240 nan 0.000 0.522 103 N N 2.762 121.460 118.700 -0.004 0.000 2.309 103 N HA -0.088 4.652 4.740 0.000 0.000 0.182 103 N C 0.096 175.537 175.510 -0.115 0.000 1.018 103 N CA 1.003 53.989 53.050 -0.107 0.000 0.876 103 N CB 0.372 38.768 38.487 -0.152 0.000 0.972 103 N HN 0.680 nan 8.380 nan 0.000 0.434 104 D N -2.132 118.269 120.400 0.002 0.000 2.798 104 D HA 0.177 4.817 4.640 0.000 0.000 0.265 104 D C -1.640 174.803 176.300 0.239 0.000 1.223 104 D CA -0.571 53.431 54.000 0.002 0.000 0.743 104 D CB 0.261 41.015 40.800 -0.077 0.000 1.276 104 D HN 0.102 nan 8.370 nan 0.000 0.421 105 Y N -0.708 119.756 120.300 0.273 0.000 2.634 105 Y HA 0.855 5.405 4.550 -0.000 0.000 0.340 105 Y C -1.040 175.059 175.900 0.332 0.000 1.058 105 Y CA -1.152 57.196 58.100 0.413 0.000 1.081 105 Y CB 1.864 40.651 38.460 0.545 0.000 1.295 105 Y HN 0.248 nan 8.280 nan 0.000 0.487 106 S N 1.700 117.796 115.700 0.660 0.000 2.652 106 S HA 0.519 4.989 4.470 0.000 0.000 0.273 106 S C -1.580 173.446 174.600 0.711 0.000 1.172 106 S CA -0.497 58.048 58.200 0.575 0.000 1.009 106 S CB 0.371 63.818 63.200 0.412 0.000 1.094 106 S HN 1.544 nan 8.310 nan 0.000 0.471 107 V N 3.965 124.190 119.914 0.518 0.000 2.509 107 V HA 0.831 4.951 4.120 0.000 0.000 0.284 107 V C 0.447 176.507 176.094 -0.056 0.000 1.047 107 V CA -0.157 62.322 62.300 0.297 0.000 0.952 107 V CB 1.131 33.050 31.823 0.160 0.000 0.988 107 V HN 1.089 nan 8.190 nan 0.000 0.469 108 S N 5.253 120.549 115.700 -0.674 0.000 2.560 108 S HA 0.249 4.719 4.470 0.000 0.000 0.284 108 S C -1.010 173.287 174.600 -0.505 0.000 1.327 108 S CA -0.174 57.159 58.200 -1.445 0.000 1.055 108 S CB 0.631 62.925 63.200 -1.509 0.000 0.868 108 S HN 0.850 nan 8.310 nan 0.000 0.506 109 P HA -0.159 nan 4.420 nan 0.000 0.220 109 P C 0.454 177.704 177.300 -0.083 0.000 1.144 109 P CA 1.467 64.502 63.100 -0.110 0.000 0.800 109 P CB -0.274 31.396 31.700 -0.051 0.000 0.772 110 D N -0.922 119.409 120.400 -0.116 0.000 2.706 110 D HA 0.055 4.695 4.640 0.000 0.000 0.236 110 D C 0.647 176.905 176.300 -0.070 0.000 1.231 110 D CA -0.872 53.098 54.000 -0.050 0.000 0.828 110 D CB -0.607 40.200 40.800 0.012 0.000 1.015 110 D HN -0.182 nan 8.370 nan 0.000 0.484 111 R N -0.571 119.901 120.500 -0.048 0.000 3.968 111 R HA -0.296 4.044 4.340 0.000 0.000 0.322 111 R C 1.410 177.649 176.300 -0.103 0.000 1.279 111 R CA 1.806 57.929 56.100 0.038 0.000 1.074 111 R CB -1.783 28.593 30.300 0.126 0.000 1.459 111 R HN 0.422 nan 8.270 nan 0.000 0.575 112 Q N -1.463 118.167 119.800 -0.283 0.000 2.230 112 Q HA 0.056 4.397 4.340 0.000 0.000 0.202 112 Q C -0.247 175.172 176.000 -0.968 0.000 0.963 112 Q CA 0.900 56.299 55.803 -0.673 0.000 0.866 112 Q CB 0.289 28.493 28.738 -0.890 0.000 0.931 112 Q HN 0.246 nan 8.270 nan 0.000 0.452 113 F N -1.115 118.708 119.950 -0.212 0.000 2.626 113 F HA 0.504 5.031 4.527 0.000 0.000 0.311 113 F C -0.664 175.168 175.800 0.054 0.000 1.088 113 F CA -1.145 56.804 58.000 -0.085 0.000 0.949 113 F CB 1.599 40.583 39.000 -0.027 0.000 1.322 113 F HN -0.223 nan 8.300 nan 0.000 0.461 114 I N 2.199 122.992 120.570 0.373 0.000 2.608 114 I HA 0.557 4.727 4.170 0.000 0.000 0.295 114 I C -1.833 174.401 176.117 0.195 0.000 1.049 114 I CA -1.052 60.458 61.300 0.349 0.000 1.063 114 I CB 1.699 39.877 38.000 0.297 0.000 1.248 114 I HN 0.480 nan 8.210 nan 0.000 0.424 115 L N 7.507 128.952 121.223 0.371 0.000 2.307 115 L HA 0.509 4.849 4.340 0.000 0.000 0.282 115 L C -1.275 175.818 176.870 0.372 0.000 1.051 115 L CA 0.132 55.105 54.840 0.220 0.000 0.804 115 L CB 1.141 43.291 42.059 0.151 0.000 1.197 115 L HN 0.363 nan 8.230 nan 0.000 0.431 116 F N 3.139 123.348 119.950 0.432 0.000 2.402 116 F HA 0.350 4.877 4.527 0.000 0.000 0.355 116 F C 0.412 176.427 175.800 0.358 0.000 1.123 116 F CA -0.843 57.421 58.000 0.440 0.000 1.021 116 F CB 1.391 40.671 39.000 0.466 0.000 1.160 116 F HN 0.443 nan 8.300 nan 0.000 0.451 117 E N 5.088 125.546 120.200 0.430 0.000 2.167 117 E HA 0.273 4.623 4.350 0.000 0.000 0.284 117 E C -1.533 175.059 176.600 -0.014 0.000 1.016 117 E CA -0.503 55.878 56.400 -0.032 0.000 0.817 117 E CB 0.927 30.657 29.700 0.051 0.000 1.080 117 E HN 0.580 nan 8.360 nan 0.000 0.397 118 Y N 1.974 122.035 120.300 -0.399 0.000 2.625 118 Y HA 0.448 4.998 4.550 0.000 0.000 0.338 118 Y C -0.390 175.320 175.900 -0.318 0.000 1.123 118 Y CA -1.552 56.333 58.100 -0.359 0.000 1.046 118 Y CB 0.927 38.959 38.460 -0.714 0.000 1.299 118 Y HN 0.517 nan 8.280 nan 0.000 0.464 119 N N 0.171 118.798 118.700 -0.121 0.000 2.815 119 N HA -0.266 4.474 4.740 0.000 0.000 0.248 119 N C -1.163 174.274 175.510 -0.122 0.000 1.110 119 N CA 0.753 53.718 53.050 -0.141 0.000 0.699 119 N CB -1.709 36.597 38.487 -0.302 0.000 1.040 119 N HN 0.906 nan 8.380 nan 0.000 0.555 120 Y N 0.351 120.540 120.300 -0.185 0.000 2.620 120 Y HA 0.298 4.848 4.550 0.000 0.000 0.330 120 Y C 0.121 175.950 175.900 -0.119 0.000 1.186 120 Y CA 0.200 58.191 58.100 -0.182 0.000 1.467 120 Y CB 0.723 39.032 38.460 -0.252 0.000 1.262 120 Y HN 0.002 nan 8.280 nan 0.000 0.550 121 V N 8.219 127.731 119.914 -0.669 0.000 2.501 121 V HA 0.151 4.271 4.120 0.000 0.000 0.277 121 V C -0.282 175.404 176.094 -0.681 0.000 1.004 121 V CA -1.324 60.660 62.300 -0.526 0.000 0.862 121 V CB 0.987 32.651 31.823 -0.264 0.000 1.035 121 V HN 0.794 nan 8.190 nan 0.000 0.448 122 K N 3.593 123.482 120.400 -0.851 0.000 2.469 122 K HA 0.153 4.473 4.320 0.000 0.000 0.274 122 K C 0.359 176.738 176.600 -0.369 0.000 0.983 122 K CA 0.526 56.499 56.287 -0.523 0.000 0.974 122 K CB 1.209 33.590 32.500 -0.198 0.000 0.913 122 K HN 0.761 nan 8.250 nan 0.000 0.493 123 Q N 2.422 121.992 119.800 -0.384 0.000 2.898 123 Q HA 0.194 4.534 4.340 0.000 0.000 0.212 123 Q C -0.076 175.578 176.000 -0.577 0.000 1.077 123 Q CA -0.563 54.796 55.803 -0.740 0.000 0.387 123 Q CB 0.138 28.270 28.738 -1.009 0.000 4.985 123 Q HN 0.737 nan 8.270 nan 0.000 0.324 124 W N 0.590 121.862 121.300 -0.047 0.000 1.707 124 W HA 0.356 5.016 4.660 -0.000 0.000 0.601 124 W C 1.912 178.383 176.519 -0.079 0.000 1.890 124 W CA -0.570 56.767 57.345 -0.013 0.000 2.128 124 W CB -0.158 29.253 29.460 -0.081 0.000 2.771 124 W HN 0.359 nan 8.180 nan 0.000 0.796 125 R N -0.749 119.782 120.500 0.053 0.000 2.075 125 R HA -0.145 4.195 4.340 0.000 0.000 0.232 125 R C 1.924 178.045 176.300 -0.298 0.000 1.126 125 R CA 1.781 57.745 56.100 -0.227 0.000 0.963 125 R CB -0.384 29.596 30.300 -0.534 0.000 0.858 125 R HN 0.492 nan 8.270 nan 0.000 0.435 126 H N -1.087 118.046 119.070 0.106 0.000 2.481 126 H HA 0.147 4.703 4.556 -0.000 0.000 0.291 126 H C 0.855 176.273 175.328 0.150 0.000 1.009 126 H CA 0.528 56.667 56.048 0.152 0.000 1.282 126 H CB -0.356 29.477 29.762 0.118 0.000 1.457 126 H HN 0.124 nan 8.280 nan 0.000 0.525 127 S N 1.576 117.253 115.700 -0.038 0.000 2.573 127 S HA 0.250 4.720 4.470 0.000 0.000 0.277 127 S C -0.258 174.169 174.600 -0.289 0.000 1.346 127 S CA -0.287 57.564 58.200 -0.583 0.000 1.034 127 S CB 0.128 62.340 63.200 -1.647 0.000 0.879 127 S HN 0.501 nan 8.310 nan 0.000 0.528 128 Y N -2.732 117.407 120.300 -0.268 0.000 2.721 128 Y HA 0.528 5.078 4.550 0.000 0.000 0.357 128 Y C -0.601 175.267 175.900 -0.053 0.000 1.183 128 Y CA -0.848 57.106 58.100 -0.242 0.000 1.231 128 Y CB 0.042 38.341 38.460 -0.269 0.000 1.390 128 Y HN 0.916 nan 8.280 nan 0.000 0.488 129 T N 0.235 114.822 114.554 0.056 0.000 2.897 129 T HA 1.027 5.377 4.350 0.000 0.000 0.278 129 T C -0.049 174.732 174.700 0.136 0.000 0.981 129 T CA -0.065 62.090 62.100 0.092 0.000 0.973 129 T CB 1.634 70.507 68.868 0.008 0.000 1.092 129 T HN 2.091 nan 8.240 nan 0.000 0.543 130 A N 0.224 123.071 122.820 0.045 0.000 2.490 130 A HA 0.634 4.954 4.320 0.000 0.000 0.292 130 A C -0.729 176.627 177.584 -0.380 0.000 1.047 130 A CA -0.997 50.922 52.037 -0.198 0.000 0.632 130 A CB 0.489 19.339 19.000 -0.250 0.000 1.323 130 A HN 0.880 nan 8.150 nan 0.000 0.448 131 S N -0.643 114.573 115.700 -0.807 0.000 2.578 131 S HA 0.851 5.321 4.470 0.000 0.000 0.301 131 S C -1.474 172.422 174.600 -1.174 0.000 1.091 131 S CA -0.149 57.505 58.200 -0.911 0.000 1.032 131 S CB 0.840 63.310 63.200 -1.218 0.000 1.064 131 S HN 0.496 nan 8.310 nan 0.000 0.508 132 Y N 0.102 120.163 120.300 -0.399 0.000 2.524 132 Y HA 0.502 5.052 4.550 -0.000 0.000 0.347 132 Y C -0.446 175.519 175.900 0.108 0.000 1.005 132 Y CA -0.968 57.068 58.100 -0.106 0.000 1.025 132 Y CB 1.716 40.068 38.460 -0.180 0.000 1.275 132 Y HN 0.478 nan 8.280 nan 0.000 0.460 133 D N 1.970 122.620 120.400 0.417 0.000 2.575 133 D HA 0.544 5.184 4.640 0.000 0.000 0.236 133 D C -0.971 175.418 176.300 0.148 0.000 1.075 133 D CA -0.329 53.864 54.000 0.322 0.000 0.860 133 D CB 2.471 43.566 40.800 0.493 0.000 1.475 133 D HN 0.387 nan 8.370 nan 0.000 0.474 134 I N 2.105 122.717 120.570 0.070 0.000 2.362 134 I HA 0.216 4.386 4.170 0.000 0.000 0.289 134 I C -0.813 175.351 176.117 0.077 0.000 0.994 134 I CA -0.952 60.363 61.300 0.026 0.000 1.158 134 I CB 1.130 39.110 38.000 -0.034 0.000 1.315 134 I HN 0.204 nan 8.210 nan 0.000 0.451 135 Y N 5.550 125.756 120.300 -0.156 0.000 2.323 135 Y HA 0.239 4.789 4.550 0.000 0.000 0.331 135 Y C 0.138 176.131 175.900 0.156 0.000 1.092 135 Y CA -0.626 57.426 58.100 -0.081 0.000 1.150 135 Y CB 1.075 39.348 38.460 -0.311 0.000 1.200 135 Y HN 0.474 nan 8.280 nan 0.000 0.472 136 D N 6.688 126.912 120.400 -0.293 0.000 2.468 136 D HA 0.082 4.722 4.640 0.000 0.000 0.218 136 D C 0.889 176.856 176.300 -0.554 0.000 1.155 136 D CA 0.179 54.047 54.000 -0.219 0.000 0.924 136 D CB 0.430 41.147 40.800 -0.137 0.000 1.029 136 D HN 0.851 nan 8.370 nan 0.000 0.515 137 L N 2.845 123.822 121.223 -0.408 0.000 2.189 137 L HA -0.216 4.124 4.340 0.000 0.000 0.214 137 L C 1.990 178.655 176.870 -0.342 0.000 1.097 137 L CA 0.674 55.330 54.840 -0.308 0.000 0.764 137 L CB -0.294 41.605 42.059 -0.265 0.000 0.900 137 L HN 0.349 nan 8.230 nan 0.000 0.436 138 N N 1.026 119.493 118.700 -0.390 0.000 2.131 138 N HA -0.127 4.613 4.740 0.000 0.000 0.190 138 N C 1.534 176.897 175.510 -0.245 0.000 1.055 138 N CA 1.337 54.208 53.050 -0.298 0.000 0.853 138 N CB -0.278 38.029 38.487 -0.299 0.000 1.035 138 N HN 0.396 nan 8.380 nan 0.000 0.440 139 K N 1.621 121.878 120.400 -0.239 0.000 2.616 139 K HA 0.082 4.402 4.320 0.000 0.000 0.192 139 K C -0.222 176.247 176.600 -0.219 0.000 1.031 139 K CA 0.199 56.374 56.287 -0.187 0.000 1.004 139 K CB -0.080 32.332 32.500 -0.146 0.000 0.810 139 K HN 0.095 nan 8.250 nan 0.000 0.497 140 R N 1.309 121.619 120.500 -0.317 0.000 3.484 140 R HA -0.207 4.133 4.340 0.000 0.000 0.260 140 R C -0.730 175.352 176.300 -0.364 0.000 1.053 140 R CA 1.043 56.930 56.100 -0.356 0.000 0.703 140 R CB -1.839 28.413 30.300 -0.080 0.000 1.089 140 R HN 0.638 nan 8.270 nan 0.000 0.459 141 Q N -0.041 119.465 119.800 -0.489 0.000 2.333 141 Q HA 0.599 4.939 4.340 0.000 0.000 0.266 141 Q C -0.247 175.585 176.000 -0.280 0.000 1.053 141 Q CA -1.044 54.622 55.803 -0.229 0.000 0.890 141 Q CB 1.754 30.420 28.738 -0.121 0.000 1.337 141 Q HN 0.158 nan 8.270 nan 0.000 0.474 142 L N 2.149 123.402 121.223 0.049 0.000 2.262 142 L HA 0.414 4.754 4.340 0.000 0.000 0.288 142 L C -0.709 176.215 176.870 0.090 0.000 1.035 142 L CA -0.641 54.318 54.840 0.197 0.000 0.820 142 L CB 0.639 42.874 42.059 0.293 0.000 1.204 142 L HN 0.596 nan 8.230 nan 0.000 0.424 143 I N 4.397 125.004 120.570 0.062 0.000 2.752 143 I HA -0.127 4.043 4.170 0.000 0.000 0.286 143 I C 1.516 177.661 176.117 0.046 0.000 1.180 143 I CA 0.501 61.821 61.300 0.032 0.000 1.404 143 I CB 0.848 38.849 38.000 0.001 0.000 1.389 143 I HN 0.709 nan 8.210 nan 0.000 0.549 144 T N 1.713 116.288 114.554 0.035 0.000 3.023 144 T HA 0.072 4.422 4.350 0.000 0.000 0.249 144 T C 0.571 175.281 174.700 0.017 0.000 1.050 144 T CA -0.335 61.788 62.100 0.039 0.000 1.088 144 T CB 0.037 68.928 68.868 0.039 0.000 0.946 144 T HN 0.677 nan 8.240 nan 0.000 0.480 145 E N 1.349 121.551 120.200 0.004 0.000 2.242 145 E HA 0.380 4.730 4.350 0.000 0.000 0.275 145 E C -0.750 175.837 176.600 -0.023 0.000 1.002 145 E CA -0.826 55.569 56.400 -0.007 0.000 0.841 145 E CB 0.628 30.326 29.700 -0.003 0.000 1.109 145 E HN 0.034 nan 8.360 nan 0.000 0.394 146 E N 0.819 120.999 120.200 -0.033 0.000 2.340 146 E HA -0.179 4.171 4.350 0.000 0.000 0.240 146 E C -0.701 175.850 176.600 -0.081 0.000 1.154 146 E CA 0.562 56.932 56.400 -0.050 0.000 0.717 146 E CB -1.421 28.259 29.700 -0.033 0.000 1.250 146 E HN 0.626 nan 8.360 nan 0.000 0.386 147 R N -0.287 120.160 120.500 -0.088 0.000 2.774 147 R HA 0.410 4.750 4.340 0.000 0.000 0.269 147 R C 1.240 177.408 176.300 -0.219 0.000 1.068 147 R CA -0.319 55.714 56.100 -0.111 0.000 1.180 147 R CB 0.503 30.766 30.300 -0.062 0.000 1.077 147 R HN 0.107 nan 8.270 nan 0.000 0.513 148 I N 2.412 122.822 120.570 -0.267 0.000 2.575 148 I HA 0.146 4.316 4.170 0.000 0.000 0.285 148 I C -1.793 174.064 176.117 -0.433 0.000 1.085 148 I CA -1.936 59.068 61.300 -0.493 0.000 1.403 148 I CB 0.798 38.510 38.000 -0.481 0.000 1.409 148 I HN 0.306 nan 8.210 nan 0.000 0.557 149 P HA 0.123 nan 4.420 nan 0.000 0.273 149 P C -0.936 176.201 177.300 -0.271 0.000 1.250 149 P CA -0.441 62.320 63.100 -0.566 0.000 0.793 149 P CB 0.422 31.361 31.700 -1.269 0.000 1.011 150 N N 1.600 120.233 118.700 -0.112 0.000 2.483 150 N HA 0.116 4.856 4.740 0.000 0.000 0.269 150 N C -0.001 175.605 175.510 0.160 0.000 1.209 150 N CA 0.016 53.051 53.050 -0.024 0.000 0.969 150 N CB -0.256 38.227 38.487 -0.006 0.000 1.173 150 N HN 0.390 nan 8.380 nan 0.000 0.475 151 N N -0.562 118.190 118.700 0.087 0.000 2.756 151 N HA -0.151 4.589 4.740 0.000 0.000 0.248 151 N C -0.976 174.695 175.510 0.269 0.000 1.062 151 N CA 0.655 53.784 53.050 0.132 0.000 0.696 151 N CB -1.575 36.984 38.487 0.119 0.000 0.946 151 N HN 0.443 nan 8.380 nan 0.000 0.548 152 T N 0.732 115.434 114.554 0.246 0.000 2.780 152 T HA 0.191 4.541 4.350 0.000 0.000 0.294 152 T C 1.675 176.531 174.700 0.261 0.000 0.949 152 T CA -0.178 62.104 62.100 0.303 0.000 1.074 152 T CB 1.504 70.498 68.868 0.210 0.000 0.910 152 T HN 0.167 nan 8.240 nan 0.000 0.501 153 Q N 2.182 122.135 119.800 0.256 0.000 2.163 153 Q HA 0.126 4.466 4.340 0.000 0.000 0.198 153 Q C 0.211 176.397 176.000 0.311 0.000 0.954 153 Q CA 0.642 56.618 55.803 0.288 0.000 0.851 153 Q CB 0.646 29.541 28.738 0.261 0.000 0.928 153 Q HN 0.686 nan 8.270 nan 0.000 0.459 154 W N -0.190 121.105 121.300 -0.009 0.000 3.571 154 W HA 0.566 5.226 4.660 -0.000 0.000 0.294 154 W C -2.253 174.208 176.519 -0.098 0.000 1.257 154 W CA -0.765 56.525 57.345 -0.091 0.000 1.206 154 W CB 1.117 30.458 29.460 -0.198 0.000 1.325 154 W HN -0.046 nan 8.180 nan 0.000 0.546 155 I N 3.763 123.638 120.570 -1.159 0.000 3.102 155 I HA 0.721 4.891 4.170 0.000 0.000 0.310 155 I C -1.472 174.032 176.117 -1.022 0.000 1.246 155 I CA -0.199 60.578 61.300 -0.870 0.000 0.979 155 I CB 2.624 40.068 38.000 -0.927 0.000 1.267 155 I HN 0.392 nan 8.210 nan 0.000 0.451 156 T N 3.206 117.453 114.554 -0.512 0.000 3.033 156 T HA 0.324 4.674 4.350 0.000 0.000 0.362 156 T C -1.913 172.783 174.700 -0.008 0.000 1.723 156 T CA -0.410 61.538 62.100 -0.254 0.000 1.110 156 T CB 0.407 69.324 68.868 0.080 0.000 1.515 156 T HN 0.554 nan 8.240 nan 0.000 0.484 157 W N 2.593 123.948 121.300 0.091 0.000 2.141 157 W HA 0.543 5.203 4.660 0.000 0.000 0.354 157 W C 1.157 177.597 176.519 -0.132 0.000 1.297 157 W CA -0.577 56.778 57.345 0.018 0.000 1.380 157 W CB 0.537 30.003 29.460 0.009 0.000 1.168 157 W HN 0.781 nan 8.180 nan 0.000 0.639 158 S N 0.483 116.023 115.700 -0.267 0.000 2.614 158 S HA 0.180 4.650 4.470 0.000 0.000 0.265 158 S C -1.947 172.509 174.600 -0.239 0.000 1.303 158 S CA -1.034 56.610 58.200 -0.927 0.000 1.000 158 S CB 0.835 63.291 63.200 -1.241 0.000 0.935 158 S HN 0.241 nan 8.310 nan 0.000 0.551 159 P HA 0.006 nan 4.420 nan 0.000 0.220 159 P C 0.354 177.631 177.300 -0.038 0.000 1.148 159 P CA 0.832 63.932 63.100 0.001 0.000 0.803 159 P CB -0.123 31.598 31.700 0.035 0.000 0.782 160 V N -6.901 112.940 119.914 -0.122 0.000 3.130 160 V HA 0.889 5.009 4.120 0.000 0.000 0.310 160 V C 0.370 176.359 176.094 -0.175 0.000 1.158 160 V CA -0.288 61.945 62.300 -0.112 0.000 1.029 160 V CB 1.134 32.900 31.823 -0.095 0.000 1.057 160 V HN 0.395 nan 8.190 nan 0.000 0.436 161 G N 1.939 110.650 108.800 -0.148 0.000 2.512 161 G HA2 -0.131 3.829 3.960 0.000 0.000 0.254 161 G HA3 -0.131 3.829 3.960 0.000 0.000 0.254 161 G C 0.169 174.966 174.900 -0.172 0.000 1.199 161 G CA 0.819 45.793 45.100 -0.211 0.000 0.941 161 G HN 2.645 nan 8.290 nan 0.000 0.569 162 H N -0.571 118.450 119.070 -0.082 0.000 3.233 162 H HA 0.389 4.945 4.556 0.000 0.000 0.232 162 H C 0.113 175.572 175.328 0.218 0.000 1.322 162 H CA -0.064 55.946 56.048 -0.063 0.000 1.043 162 H CB -0.445 29.309 29.762 -0.015 0.000 2.572 162 H HN 0.591 nan 8.280 nan 0.000 0.597 163 K N 1.455 121.888 120.400 0.056 0.000 2.107 163 K HA 0.626 4.946 4.320 0.000 0.000 0.251 163 K C -0.366 176.384 176.600 0.250 0.000 1.012 163 K CA -0.622 55.709 56.287 0.073 0.000 0.920 163 K CB 1.789 34.168 32.500 -0.201 0.000 1.033 163 K HN 0.065 nan 8.250 nan 0.000 0.478 164 L N 0.704 122.074 121.223 0.245 0.000 2.401 164 L HA 0.601 4.941 4.340 0.000 0.000 0.266 164 L C -1.039 176.069 176.870 0.398 0.000 0.991 164 L CA -0.947 54.014 54.840 0.203 0.000 0.818 164 L CB 2.207 44.223 42.059 -0.073 0.000 1.321 164 L HN 0.738 nan 8.230 nan 0.000 0.413 165 A N 2.504 125.561 122.820 0.396 0.000 2.330 165 A HA 0.813 5.133 4.320 0.000 0.000 0.313 165 A C -1.535 176.110 177.584 0.102 0.000 1.124 165 A CA -0.372 51.777 52.037 0.187 0.000 0.774 165 A CB 1.015 19.995 19.000 -0.033 0.000 1.198 165 A HN 0.654 nan 8.150 nan 0.000 0.465 166 Y N -0.198 120.073 120.300 -0.048 0.000 2.588 166 Y HA 0.765 5.315 4.550 0.000 0.000 0.343 166 Y C -1.291 174.635 175.900 0.043 0.000 1.065 166 Y CA -1.563 56.488 58.100 -0.081 0.000 1.038 166 Y CB 1.145 39.490 38.460 -0.193 0.000 1.297 166 Y HN 0.401 nan 8.280 nan 0.000 0.467 167 V N 2.264 122.333 119.914 0.259 0.000 2.495 167 V HA 0.426 4.546 4.120 0.000 0.000 0.298 167 V C -1.448 174.876 176.094 0.384 0.000 1.031 167 V CA -0.676 61.752 62.300 0.213 0.000 0.871 167 V CB 1.372 33.249 31.823 0.090 0.000 0.988 167 V HN 0.897 nan 8.190 nan 0.000 0.432 168 W N 5.042 126.424 121.300 0.137 0.000 3.211 168 W HA 0.473 5.133 4.660 -0.000 0.000 0.335 168 W C 0.100 176.660 176.519 0.068 0.000 1.113 168 W CA -0.583 56.809 57.345 0.079 0.000 1.235 168 W CB 1.245 30.709 29.460 0.008 0.000 1.365 168 W HN 0.785 nan 8.180 nan 0.000 0.476 169 N N 5.314 123.720 118.700 -0.491 0.000 2.754 169 N HA -0.332 4.408 4.740 0.000 0.000 0.248 169 N C 0.232 175.613 175.510 -0.215 0.000 1.093 169 N CA 0.935 53.678 53.050 -0.511 0.000 0.699 169 N CB -1.296 36.718 38.487 -0.789 0.000 1.016 169 N HN 0.871 nan 8.380 nan 0.000 0.552 170 N N -1.758 116.875 118.700 -0.112 0.000 2.815 170 N HA -0.180 4.560 4.740 0.000 0.000 0.247 170 N C -1.221 174.233 175.510 -0.092 0.000 1.030 170 N CA 1.223 54.223 53.050 -0.083 0.000 0.881 170 N CB -0.295 38.094 38.487 -0.163 0.000 1.134 170 N HN 0.427 nan 8.380 nan 0.000 0.582 171 D N 0.368 120.733 120.400 -0.059 0.000 2.269 171 D HA 0.485 5.125 4.640 0.000 0.000 0.244 171 D C 0.187 176.394 176.300 -0.155 0.000 0.992 171 D CA -0.327 53.574 54.000 -0.165 0.000 0.894 171 D CB 1.516 42.196 40.800 -0.200 0.000 1.248 171 D HN 0.035 nan 8.370 nan 0.000 0.468 172 I N 1.463 121.749 120.570 -0.473 0.000 2.385 172 I HA 0.263 4.433 4.170 0.000 0.000 0.294 172 I C -0.796 174.859 176.117 -0.769 0.000 0.988 172 I CA -0.558 60.441 61.300 -0.501 0.000 1.265 172 I CB 0.698 38.311 38.000 -0.644 0.000 1.388 172 I HN 0.160 nan 8.210 nan 0.000 0.480 173 Y N 3.932 123.822 120.300 -0.683 0.000 2.477 173 Y HA 0.585 5.135 4.550 0.000 0.000 0.347 173 Y C -0.373 175.190 175.900 -0.561 0.000 0.981 173 Y CA -0.936 56.696 58.100 -0.780 0.000 1.033 173 Y CB 2.081 39.692 38.460 -1.415 0.000 1.245 173 Y HN 0.104 nan 8.280 nan 0.000 0.455 174 V N 2.881 122.701 119.914 -0.156 0.000 2.540 174 V HA 0.498 4.618 4.120 0.000 0.000 0.302 174 V C -0.727 175.434 176.094 0.113 0.000 1.035 174 V CA -1.365 60.954 62.300 0.032 0.000 0.873 174 V CB 1.914 33.775 31.823 0.064 0.000 0.992 174 V HN 0.622 nan 8.190 nan 0.000 0.428 175 K N 3.164 123.673 120.400 0.181 0.000 2.572 175 K HA 0.419 4.739 4.320 0.000 0.000 0.244 175 K C 0.544 177.227 176.600 0.139 0.000 0.965 175 K CA -0.266 56.110 56.287 0.147 0.000 0.943 175 K CB 1.236 33.818 32.500 0.137 0.000 1.154 175 K HN 0.664 nan 8.250 nan 0.000 0.447 176 N N 1.212 119.980 118.700 0.112 0.000 2.188 176 N HA -0.110 4.630 4.740 0.000 0.000 0.184 176 N C -0.227 175.342 175.510 0.098 0.000 1.018 176 N CA 0.917 54.017 53.050 0.084 0.000 0.858 176 N CB 0.339 38.863 38.487 0.062 0.000 0.989 176 N HN 0.407 nan 8.380 nan 0.000 0.426 177 E N -0.772 119.485 120.200 0.095 0.000 2.238 177 E HA 0.209 4.559 4.350 0.000 0.000 0.267 177 E C -1.941 174.651 176.600 -0.013 0.000 0.887 177 E CA -2.132 54.324 56.400 0.093 0.000 0.769 177 E CB 1.600 31.351 29.700 0.085 0.000 1.187 177 E HN -0.126 nan 8.360 nan 0.000 0.416 178 P HA -0.099 nan 4.420 nan 0.000 0.220 178 P C 0.703 177.912 177.300 -0.152 0.000 1.148 178 P CA 1.064 64.005 63.100 -0.266 0.000 0.803 178 P CB 0.332 31.612 31.700 -0.701 0.000 0.782 179 N N -1.583 117.059 118.700 -0.097 0.000 2.230 179 N HA 0.022 4.762 4.740 0.000 0.000 0.202 179 N C 0.079 175.581 175.510 -0.014 0.000 1.119 179 N CA 0.319 53.344 53.050 -0.043 0.000 0.851 179 N CB -0.049 38.428 38.487 -0.016 0.000 0.990 179 N HN 0.048 nan 8.380 nan 0.000 0.497 180 L N 0.799 122.019 121.223 -0.005 0.000 2.304 180 L HA 0.443 4.783 4.340 0.000 0.000 0.268 180 L C 0.414 177.295 176.870 0.017 0.000 1.010 180 L CA -0.571 54.277 54.840 0.014 0.000 0.813 180 L CB 1.475 43.553 42.059 0.031 0.000 1.315 180 L HN -0.032 nan 8.230 nan 0.000 0.445 181 S N 0.194 115.910 115.700 0.026 0.000 2.573 181 S HA 0.204 4.674 4.470 0.000 0.000 0.277 181 S C 0.331 174.967 174.600 0.060 0.000 1.346 181 S CA -0.502 57.719 58.200 0.035 0.000 1.034 181 S CB 0.715 63.938 63.200 0.039 0.000 0.879 181 S HN 0.671 nan 8.310 nan 0.000 0.528 182 S N 0.991 116.741 115.700 0.083 0.000 2.652 182 S HA 0.481 4.951 4.470 0.000 0.000 0.270 182 S C -0.578 174.082 174.600 0.100 0.000 1.243 182 S CA -0.758 57.517 58.200 0.126 0.000 0.999 182 S CB 0.963 64.296 63.200 0.220 0.000 0.973 182 S HN 0.642 nan 8.310 nan 0.000 0.544 183 Q N 1.129 120.959 119.800 0.051 0.000 2.357 183 Q HA 0.372 4.712 4.340 0.000 0.000 0.266 183 Q C -0.631 175.255 176.000 -0.190 0.000 1.021 183 Q CA -0.402 55.393 55.803 -0.012 0.000 0.784 183 Q CB 1.049 29.791 28.738 0.008 0.000 1.243 183 Q HN 0.680 nan 8.270 nan 0.000 0.465 184 R N 4.204 124.514 120.500 -0.316 0.000 2.585 184 R HA 0.049 4.389 4.340 0.000 0.000 0.275 184 R C 0.233 176.176 176.300 -0.595 0.000 1.018 184 R CA 0.281 55.876 56.100 -0.841 0.000 1.072 184 R CB 0.530 30.159 30.300 -1.117 0.000 0.953 184 R HN 0.765 nan 8.270 nan 0.000 0.419 185 I N 1.091 121.216 120.570 -0.743 0.000 3.300 185 I HA -0.030 4.140 4.170 0.000 0.000 0.279 185 I C 1.266 177.130 176.117 -0.421 0.000 1.172 185 I CA 1.064 62.091 61.300 -0.455 0.000 1.431 185 I CB -0.491 37.223 38.000 -0.475 0.000 1.240 185 I HN 0.567 nan 8.210 nan 0.000 0.453 186 T N -3.739 110.421 114.554 -0.656 0.000 2.924 186 T HA 0.407 4.757 4.350 0.000 0.000 0.291 186 T C -0.438 173.875 174.700 -0.645 0.000 1.045 186 T CA -0.460 61.377 62.100 -0.439 0.000 1.015 186 T CB 2.097 70.718 68.868 -0.412 0.000 1.103 186 T HN 0.173 nan 8.240 nan 0.000 0.496 187 W N -0.665 120.533 121.300 -0.170 0.000 2.355 187 W HA 0.201 4.862 4.660 0.001 0.000 0.303 187 W C 2.191 178.660 176.519 -0.083 0.000 0.939 187 W CA 0.101 57.378 57.345 -0.113 0.000 1.377 187 W CB -0.181 29.227 29.460 -0.087 0.000 1.048 187 W HN 0.891 nan 8.180 nan 0.000 0.542 188 T N -1.869 112.734 114.554 0.082 0.000 3.035 188 T HA 0.117 4.467 4.350 0.000 0.000 0.268 188 T C 1.448 176.142 174.700 -0.009 0.000 1.109 188 T CA 0.554 62.679 62.100 0.043 0.000 1.119 188 T CB -0.606 68.285 68.868 0.040 0.000 0.900 188 T HN 0.070 nan 8.240 nan 0.000 0.503 189 G N 1.768 110.534 108.800 -0.056 0.000 2.097 189 G HA2 0.224 4.185 3.960 0.000 0.000 0.256 189 G HA3 0.224 4.185 3.960 0.000 0.000 0.256 189 G C -0.432 174.405 174.900 -0.105 0.000 1.082 189 G CA -0.284 44.757 45.100 -0.098 0.000 0.956 189 G HN 0.683 nan 8.290 nan 0.000 0.420 190 K N 2.475 122.791 120.400 -0.139 0.000 2.507 190 K HA 0.268 4.588 4.320 0.000 0.000 0.251 190 K C 0.035 176.512 176.600 -0.204 0.000 0.943 190 K CA -0.755 55.453 56.287 -0.132 0.000 0.794 190 K CB 1.502 33.958 32.500 -0.073 0.000 1.188 190 K HN 0.483 nan 8.250 nan 0.000 0.428 191 E N 3.307 123.404 120.200 -0.172 0.000 2.558 191 E HA -0.157 4.193 4.350 0.000 0.000 0.255 191 E C -0.537 175.992 176.600 -0.119 0.000 0.968 191 E CA 1.077 57.380 56.400 -0.163 0.000 0.939 191 E CB 0.037 29.678 29.700 -0.098 0.000 0.921 191 E HN 0.854 nan 8.360 nan 0.000 0.477 192 N N 1.645 120.281 118.700 -0.107 0.000 2.741 192 N HA -0.257 4.483 4.740 0.000 0.000 0.251 192 N C 0.021 175.573 175.510 0.070 0.000 1.112 192 N CA 0.429 53.528 53.050 0.081 0.000 0.750 192 N CB -0.431 38.112 38.487 0.093 0.000 1.119 192 N HN 0.263 nan 8.380 nan 0.000 0.561 193 V N -1.485 118.371 119.914 -0.097 0.000 3.359 193 V HA 0.256 4.376 4.120 0.000 0.000 0.204 193 V C -0.012 176.099 176.094 0.029 0.000 1.410 193 V CA 0.297 62.610 62.300 0.022 0.000 1.303 193 V CB 0.770 32.595 31.823 0.002 0.000 1.198 193 V HN 0.085 nan 8.190 nan 0.000 0.531 194 I N 1.311 121.788 120.570 -0.156 0.000 2.418 194 I HA 0.488 4.658 4.170 0.000 0.000 0.287 194 I C -1.556 174.459 176.117 -0.170 0.000 1.008 194 I CA -0.571 60.711 61.300 -0.031 0.000 1.104 194 I CB 1.199 39.199 38.000 -0.000 0.000 1.264 194 I HN 0.228 nan 8.210 nan 0.000 0.438 195 Y N 4.612 125.013 120.300 0.168 0.000 2.328 195 Y HA 0.428 4.978 4.550 0.000 0.000 0.336 195 Y C 0.414 176.390 175.900 0.127 0.000 0.960 195 Y CA -0.831 57.373 58.100 0.173 0.000 1.134 195 Y CB 1.190 39.831 38.460 0.303 0.000 1.166 195 Y HN 0.401 nan 8.280 nan 0.000 0.464 196 N N 2.116 120.894 118.700 0.130 0.000 2.446 196 N HA 0.379 5.119 4.740 0.000 0.000 0.265 196 N C 0.738 176.202 175.510 -0.077 0.000 0.975 196 N CA 0.389 53.445 53.050 0.011 0.000 0.928 196 N CB 1.879 40.253 38.487 -0.187 0.000 1.160 196 N HN 0.991 nan 8.380 nan 0.000 0.495 197 G N 0.614 109.406 108.800 -0.014 0.000 2.199 197 G HA2 -0.270 3.690 3.960 0.000 0.000 0.254 197 G HA3 -0.270 3.690 3.960 0.000 0.000 0.254 197 G C -0.048 174.723 174.900 -0.215 0.000 0.982 197 G CA 0.598 45.611 45.100 -0.145 0.000 0.632 197 G HN 0.685 nan 8.290 nan 0.000 0.529 198 V N -1.566 118.299 119.914 -0.080 0.000 2.925 198 V HA 0.894 5.014 4.120 0.000 0.000 0.311 198 V C 0.354 176.500 176.094 0.087 0.000 1.104 198 V CA -0.098 62.041 62.300 -0.268 0.000 0.954 198 V CB 1.360 32.748 31.823 -0.726 0.000 1.022 198 V HN 1.158 nan 8.190 nan 0.000 0.427 199 T N 0.453 114.974 114.554 -0.055 0.000 2.898 199 T HA 0.374 4.724 4.350 0.000 0.000 0.301 199 T C 0.001 174.457 174.700 -0.407 0.000 1.049 199 T CA -0.059 61.830 62.100 -0.352 0.000 1.095 199 T CB 0.787 69.572 68.868 -0.139 0.000 0.976 199 T HN 1.083 nan 8.240 nan 0.000 0.539 200 D N 0.883 120.788 120.400 -0.825 0.000 2.440 200 D HA 0.004 4.644 4.640 0.000 0.000 0.269 200 D C 0.983 177.109 176.300 -0.290 0.000 1.249 200 D CA -1.071 52.446 54.000 -0.806 0.000 1.055 200 D CB 0.108 40.452 40.800 -0.760 0.000 1.104 200 D HN 0.703 nan 8.370 nan 0.000 0.561 201 W N 0.026 121.175 121.300 -0.251 0.000 2.335 201 W HA -0.206 4.454 4.660 -0.000 0.000 0.311 201 W C 2.140 178.491 176.519 -0.279 0.000 1.213 201 W CA 2.200 59.390 57.345 -0.257 0.000 1.274 201 W CB -0.396 28.853 29.460 -0.351 0.000 1.148 201 W HN 0.188 nan 8.180 nan 0.000 0.498 202 V N -0.281 119.611 119.914 -0.036 0.000 2.548 202 V HA -0.263 3.857 4.120 0.000 0.000 0.249 202 V C 1.771 177.618 176.094 -0.412 0.000 1.055 202 V CA 1.818 63.995 62.300 -0.204 0.000 1.065 202 V CB -0.672 31.061 31.823 -0.151 0.000 0.681 202 V HN 0.271 nan 8.190 nan 0.000 0.462 203 Y N 0.535 120.535 120.300 -0.500 0.000 2.373 203 Y HA -0.103 4.447 4.550 0.000 0.000 0.293 203 Y C 2.509 178.128 175.900 -0.468 0.000 1.129 203 Y CA 1.861 59.605 58.100 -0.594 0.000 1.226 203 Y CB 0.067 38.013 38.460 -0.858 0.000 1.000 203 Y HN 0.395 nan 8.280 nan 0.000 0.549 204 E N 0.355 120.401 120.200 -0.257 0.000 2.015 204 E HA -0.263 4.087 4.350 0.000 0.000 0.191 204 E C 1.998 178.486 176.600 -0.186 0.000 0.991 204 E CA 1.432 57.751 56.400 -0.134 0.000 0.802 204 E CB 0.011 29.636 29.700 -0.124 0.000 0.759 204 E HN 0.337 nan 8.360 nan 0.000 0.447 205 E N 0.324 120.201 120.200 -0.538 0.000 2.072 205 E HA -0.152 4.198 4.350 0.000 0.000 0.190 205 E C 1.464 177.899 176.600 -0.275 0.000 0.982 205 E CA 1.427 57.527 56.400 -0.499 0.000 0.803 205 E CB 0.178 29.250 29.700 -1.048 0.000 0.755 205 E HN 0.244 nan 8.360 nan 0.000 0.453 206 E N -0.891 119.111 120.200 -0.330 0.000 2.489 206 E HA 0.110 4.460 4.350 0.000 0.000 0.204 206 E C 1.248 177.675 176.600 -0.289 0.000 1.006 206 E CA 0.203 56.462 56.400 -0.236 0.000 0.936 206 E CB 1.282 30.829 29.700 -0.256 0.000 1.002 206 E HN 0.188 nan 8.360 nan 0.000 0.488 207 V N -0.669 119.028 119.914 -0.361 0.000 3.054 207 V HA 0.050 4.170 4.120 0.000 0.000 0.227 207 V C 1.124 177.106 176.094 -0.187 0.000 1.252 207 V CA 0.388 62.443 62.300 -0.409 0.000 1.279 207 V CB -0.097 31.258 31.823 -0.780 0.000 1.118 207 V HN 0.010 nan 8.190 nan 0.000 0.504 208 F N 0.999 120.955 119.950 0.010 0.000 2.776 208 F HA 0.317 4.844 4.527 -0.000 0.000 0.300 208 F C 1.607 177.364 175.800 -0.071 0.000 1.116 208 F CA -0.087 57.922 58.000 0.016 0.000 1.375 208 F CB -0.731 38.297 39.000 0.047 0.000 1.109 208 F HN 0.105 nan 8.300 nan 0.000 0.585 209 S N 0.256 115.988 115.700 0.054 0.000 3.477 209 S HA -0.023 4.447 4.470 0.000 0.000 0.357 209 S C 0.253 174.474 174.600 -0.632 0.000 1.083 209 S CA 0.537 58.660 58.200 -0.128 0.000 1.042 209 S CB -1.760 61.400 63.200 -0.067 0.000 0.911 209 S HN 0.666 nan 8.310 nan 0.000 0.490 210 A N -0.704 121.989 122.820 -0.212 0.000 2.608 210 A HA 0.720 5.040 4.320 0.000 0.000 0.292 210 A C -0.386 177.237 177.584 0.066 0.000 1.066 210 A CA -0.474 51.456 52.037 -0.179 0.000 0.676 210 A CB 0.404 19.303 19.000 -0.167 0.000 1.277 210 A HN 0.373 nan 8.150 nan 0.000 0.413 211 Y N 1.543 121.749 120.300 -0.157 0.000 2.503 211 Y HA 0.196 4.746 4.550 0.000 0.000 0.277 211 Y C 1.340 177.016 175.900 -0.374 0.000 1.102 211 Y CA 0.622 58.628 58.100 -0.157 0.000 1.261 211 Y CB 0.084 38.501 38.460 -0.071 0.000 1.096 211 Y HN 0.700 nan 8.280 nan 0.000 0.546 212 S N 0.611 115.813 115.700 -0.830 0.000 2.576 212 S HA 0.545 5.015 4.470 0.000 0.000 0.276 212 S C 0.348 174.416 174.600 -0.886 0.000 1.339 212 S CA -0.157 57.241 58.200 -1.337 0.000 1.039 212 S CB 1.545 63.262 63.200 -2.473 0.000 0.902 212 S HN 0.444 nan 8.310 nan 0.000 0.516 213 A N 2.820 125.125 122.820 -0.857 0.000 2.806 213 A HA 0.561 4.881 4.320 0.000 0.000 0.266 213 A C -0.371 176.458 177.584 -1.259 0.000 0.926 213 A CA -0.547 50.959 52.037 -0.886 0.000 1.068 213 A CB -0.078 18.880 19.000 -0.070 0.000 1.189 213 A HN 0.772 nan 8.150 nan 0.000 0.481 214 L N 0.189 120.547 121.223 -1.442 0.000 2.370 214 L HA 0.668 5.008 4.340 0.000 0.000 0.266 214 L C -1.201 175.142 176.870 -0.878 0.000 1.002 214 L CA -0.638 53.700 54.840 -0.836 0.000 0.818 214 L CB 2.093 43.941 42.059 -0.352 0.000 1.325 214 L HN 0.465 nan 8.230 nan 0.000 0.418 215 W N 2.117 123.459 121.300 0.072 0.000 2.957 215 W HA 0.184 4.843 4.660 -0.000 0.000 0.327 215 W C -1.328 175.460 176.519 0.449 0.000 1.039 215 W CA -1.033 56.479 57.345 0.277 0.000 1.257 215 W CB 0.983 30.609 29.460 0.277 0.000 1.238 215 W HN 0.479 nan 8.180 nan 0.000 0.406 216 W N 2.656 124.231 121.300 0.458 0.000 2.190 216 W HA 0.257 4.917 4.660 0.000 0.000 0.330 216 W C 1.349 177.837 176.519 -0.052 0.000 1.299 216 W CA 0.360 57.847 57.345 0.236 0.000 1.215 216 W CB 0.925 30.461 29.460 0.127 0.000 1.147 216 W HN 0.171 nan 8.180 nan 0.000 0.563 217 S N 2.714 118.235 115.700 -0.297 0.000 2.608 217 S HA 0.158 4.628 4.470 0.000 0.000 0.261 217 S C -1.765 172.524 174.600 -0.519 0.000 1.314 217 S CA -0.970 56.332 58.200 -1.497 0.000 0.992 217 S CB 0.819 63.063 63.200 -1.592 0.000 0.935 217 S HN 0.298 nan 8.310 nan 0.000 0.564 218 P HA -0.123 nan 4.420 nan 0.000 0.216 218 P C 0.837 178.067 177.300 -0.118 0.000 1.154 218 P CA 1.304 64.328 63.100 -0.127 0.000 0.865 218 P CB -0.012 31.659 31.700 -0.047 0.000 0.789 219 N N -2.226 116.374 118.700 -0.166 0.000 2.235 219 N HA 0.086 4.826 4.740 0.000 0.000 0.209 219 N C 0.985 176.382 175.510 -0.188 0.000 1.122 219 N CA 0.770 53.728 53.050 -0.154 0.000 0.845 219 N CB 0.206 38.611 38.487 -0.138 0.000 1.004 219 N HN 0.067 nan 8.380 nan 0.000 0.499 220 G N 0.444 109.141 108.800 -0.173 0.000 2.155 220 G HA2 -0.327 3.633 3.960 0.000 0.000 0.257 220 G HA3 -0.327 3.633 3.960 0.000 0.000 0.257 220 G C 1.105 176.005 174.900 -0.001 0.000 0.983 220 G CA 1.227 46.258 45.100 -0.114 0.000 0.676 220 G HN 0.351 nan 8.290 nan 0.000 0.528 221 T N -0.259 114.180 114.554 -0.193 0.000 2.737 221 T HA 0.214 4.564 4.350 0.000 0.000 0.265 221 T C 0.746 175.281 174.700 -0.276 0.000 1.038 221 T CA 1.318 63.190 62.100 -0.381 0.000 1.144 221 T CB -0.048 68.311 68.868 -0.849 0.000 0.866 221 T HN 0.291 nan 8.240 nan 0.000 0.434 222 F N 0.535 120.527 119.950 0.069 0.000 2.480 222 F HA 0.648 5.175 4.527 -0.000 0.000 0.329 222 F C -0.300 175.627 175.800 0.212 0.000 1.091 222 F CA -2.229 55.865 58.000 0.155 0.000 0.972 222 F CB 1.205 40.349 39.000 0.239 0.000 1.150 222 F HN -0.125 nan 8.300 nan 0.000 0.467 223 L N 3.016 124.453 121.223 0.357 0.000 2.342 223 L HA 0.852 5.192 4.340 0.000 0.000 0.276 223 L C -0.684 176.305 176.870 0.198 0.000 0.997 223 L CA -0.609 54.270 54.840 0.065 0.000 0.838 223 L CB 0.632 42.441 42.059 -0.417 0.000 1.224 223 L HN 0.666 nan 8.230 nan 0.000 0.416 224 A N 4.798 127.819 122.820 0.336 0.000 2.306 224 A HA 0.830 5.150 4.320 0.000 0.000 0.330 224 A C -1.428 176.336 177.584 0.300 0.000 1.146 224 A CA -0.256 51.856 52.037 0.124 0.000 0.827 224 A CB 0.744 19.750 19.000 0.010 0.000 1.178 224 A HN 0.987 nan 8.150 nan 0.000 0.490 225 Y N -1.794 118.461 120.300 -0.074 0.000 2.592 225 Y HA 0.714 5.264 4.550 -0.000 0.000 0.334 225 Y C -0.425 175.498 175.900 0.037 0.000 1.136 225 Y CA -0.834 57.302 58.100 0.060 0.000 1.042 225 Y CB 0.708 39.087 38.460 -0.136 0.000 1.325 225 Y HN 0.974 nan 8.280 nan 0.000 0.457 226 A N 2.646 125.602 122.820 0.226 0.000 2.306 226 A HA 0.666 4.986 4.320 0.000 0.000 0.330 226 A C -1.012 176.442 177.584 -0.216 0.000 1.146 226 A CA -0.799 51.185 52.037 -0.088 0.000 0.827 226 A CB 1.580 20.541 19.000 -0.066 0.000 1.178 226 A HN 0.834 nan 8.150 nan 0.000 0.490 227 Q N 0.721 120.298 119.800 -0.373 0.000 2.353 227 Q HA 0.626 4.966 4.340 0.000 0.000 0.268 227 Q C -2.106 173.592 176.000 -0.504 0.000 1.045 227 Q CA -0.410 55.283 55.803 -0.182 0.000 0.811 227 Q CB 1.128 29.983 28.738 0.194 0.000 1.305 227 Q HN 0.581 nan 8.270 nan 0.000 0.447 228 F N 2.403 122.469 119.950 0.194 0.000 2.467 228 F HA 0.386 4.913 4.527 0.000 0.000 0.336 228 F C 0.227 176.192 175.800 0.274 0.000 1.123 228 F CA -0.953 57.143 58.000 0.160 0.000 0.964 228 F CB 1.513 40.540 39.000 0.044 0.000 1.136 228 F HN 0.430 nan 8.300 nan 0.000 0.447 229 N N 2.248 121.165 118.700 0.361 0.000 2.469 229 N HA 0.194 4.934 4.740 0.000 0.000 0.253 229 N C -0.622 175.060 175.510 0.286 0.000 0.970 229 N CA -0.160 53.059 53.050 0.282 0.000 0.940 229 N CB 1.125 39.721 38.487 0.181 0.000 1.128 229 N HN 0.587 nan 8.380 nan 0.000 0.503 230 D N 1.224 121.812 120.400 0.313 0.000 2.402 230 D HA 0.115 4.755 4.640 0.000 0.000 0.216 230 D C 1.209 177.617 176.300 0.180 0.000 1.128 230 D CA 0.178 54.338 54.000 0.266 0.000 0.833 230 D CB 0.552 41.570 40.800 0.362 0.000 0.971 230 D HN 0.475 nan 8.370 nan 0.000 0.503 231 T N 0.460 115.102 114.554 0.147 0.000 2.649 231 T HA -0.232 4.118 4.350 0.000 0.000 0.268 231 T C 1.229 175.978 174.700 0.083 0.000 1.036 231 T CA 1.366 63.526 62.100 0.100 0.000 1.157 231 T CB -0.084 68.833 68.868 0.081 0.000 0.861 231 T HN 0.341 nan 8.240 nan 0.000 0.445 232 E N 0.303 120.553 120.200 0.083 0.000 2.451 232 E HA 0.200 4.550 4.350 0.000 0.000 0.194 232 E C -0.572 176.070 176.600 0.070 0.000 1.027 232 E CA -0.226 56.213 56.400 0.065 0.000 0.914 232 E CB 0.621 30.352 29.700 0.053 0.000 1.054 232 E HN 0.205 nan 8.360 nan 0.000 0.461 233 V N 3.552 123.520 119.914 0.089 0.000 2.455 233 V HA 0.130 4.250 4.120 0.000 0.000 0.273 233 V C -2.046 174.096 176.094 0.080 0.000 1.045 233 V CA -1.678 60.677 62.300 0.091 0.000 0.976 233 V CB 0.580 32.472 31.823 0.116 0.000 0.993 233 V HN 0.047 nan 8.190 nan 0.000 0.475 234 P HA 0.187 nan 4.420 nan 0.000 0.269 234 P C -0.615 176.719 177.300 0.056 0.000 1.215 234 P CA -0.140 62.994 63.100 0.056 0.000 0.780 234 P CB 0.489 32.224 31.700 0.058 0.000 0.898 235 L N 2.593 123.830 121.223 0.022 0.000 2.307 235 L HA 0.414 4.754 4.340 0.000 0.000 0.282 235 L C 0.452 177.279 176.870 -0.071 0.000 1.051 235 L CA -0.907 53.926 54.840 -0.011 0.000 0.804 235 L CB 0.842 42.886 42.059 -0.026 0.000 1.197 235 L HN 0.305 nan 8.230 nan 0.000 0.431 236 I N 2.603 123.086 120.570 -0.144 0.000 2.440 236 I HA 0.249 4.419 4.170 0.000 0.000 0.294 236 I C -0.376 175.564 176.117 -0.296 0.000 0.995 236 I CA 0.180 61.302 61.300 -0.296 0.000 1.306 236 I CB 0.996 38.602 38.000 -0.658 0.000 1.407 236 I HN 0.568 nan 8.210 nan 0.000 0.501 237 E N 7.227 127.271 120.200 -0.260 0.000 2.263 237 E HA 0.434 4.784 4.350 0.000 0.000 0.268 237 E C -1.810 174.689 176.600 -0.168 0.000 0.884 237 E CA -0.560 55.680 56.400 -0.266 0.000 0.766 237 E CB 1.955 31.548 29.700 -0.177 0.000 1.196 237 E HN 0.558 nan 8.360 nan 0.000 0.416 238 Y N -1.448 118.758 120.300 -0.158 0.000 2.615 238 Y HA 0.655 5.206 4.550 0.000 0.000 0.341 238 Y C -0.529 175.298 175.900 -0.120 0.000 1.089 238 Y CA -1.295 56.727 58.100 -0.130 0.000 1.049 238 Y CB 1.072 39.463 38.460 -0.115 0.000 1.296 238 Y HN 0.167 nan 8.280 nan 0.000 0.470 239 S N 1.647 117.378 115.700 0.051 0.000 2.554 239 S HA 0.500 4.970 4.470 0.000 0.000 0.278 239 S C -1.510 172.952 174.600 -0.230 0.000 1.242 239 S CA -0.504 57.569 58.200 -0.212 0.000 1.051 239 S CB 0.680 63.612 63.200 -0.447 0.000 0.986 239 S HN 0.541 nan 8.310 nan 0.000 0.502 240 F N 2.379 122.093 119.950 -0.393 0.000 2.477 240 F HA 0.446 4.973 4.527 0.000 0.000 0.335 240 F C -0.190 175.359 175.800 -0.418 0.000 1.130 240 F CA -0.910 56.942 58.000 -0.247 0.000 0.948 240 F CB 0.760 39.744 39.000 -0.027 0.000 1.154 240 F HN 0.653 nan 8.300 nan 0.000 0.439 241 Y N 2.730 122.737 120.300 -0.488 0.000 2.314 241 Y HA 0.112 4.662 4.550 0.000 0.000 0.294 241 Y C 1.737 177.530 175.900 -0.180 0.000 1.119 241 Y CA 1.177 59.118 58.100 -0.265 0.000 1.179 241 Y CB -0.599 37.706 38.460 -0.259 0.000 1.025 241 Y HN 0.739 nan 8.280 nan 0.000 0.541 242 S N -0.243 115.309 115.700 -0.247 0.000 3.513 242 S HA -0.310 4.160 4.470 0.000 0.000 0.636 242 S C -0.201 174.442 174.600 0.073 0.000 2.452 242 S CA 0.099 58.359 58.200 0.099 0.000 2.644 242 S CB -1.354 62.021 63.200 0.290 0.000 0.331 242 S HN 0.620 nan 8.310 nan 0.000 1.787 243 D N 0.995 121.459 120.400 0.107 0.000 2.443 243 D HA 0.129 4.769 4.640 0.000 0.000 0.234 243 D C 1.392 177.724 176.300 0.052 0.000 1.172 243 D CA 1.037 55.079 54.000 0.070 0.000 0.878 243 D CB 0.384 41.226 40.800 0.071 0.000 1.204 243 D HN 0.542 nan 8.370 nan 0.000 0.453 244 E N 0.982 121.202 120.200 0.033 0.000 2.267 244 E HA -0.233 4.117 4.350 0.000 0.000 0.197 244 E C 1.367 177.981 176.600 0.023 0.000 0.998 244 E CA 1.154 57.565 56.400 0.019 0.000 0.830 244 E CB 0.008 29.713 29.700 0.008 0.000 0.751 244 E HN 0.537 nan 8.360 nan 0.000 0.491 245 S N -0.110 115.609 115.700 0.033 0.000 2.481 245 S HA -0.034 4.436 4.470 0.000 0.000 0.231 245 S C 1.074 175.700 174.600 0.043 0.000 0.996 245 S CA -0.069 58.151 58.200 0.033 0.000 0.942 245 S CB -0.057 63.165 63.200 0.037 0.000 0.768 245 S HN 0.222 nan 8.310 nan 0.000 0.520 246 L N 2.512 123.768 121.223 0.056 0.000 2.407 246 L HA 0.183 4.523 4.340 0.000 0.000 0.282 246 L C 1.617 178.523 176.870 0.060 0.000 1.110 246 L CA -0.032 54.852 54.840 0.074 0.000 0.863 246 L CB 1.041 43.157 42.059 0.094 0.000 1.207 246 L HN 0.452 nan 8.230 nan 0.000 0.454 247 Q N 4.216 124.056 119.800 0.066 0.000 2.050 247 Q HA -0.134 4.206 4.340 0.000 0.000 0.202 247 Q C -0.561 175.378 176.000 -0.101 0.000 0.980 247 Q CA 1.578 57.375 55.803 -0.010 0.000 0.840 247 Q CB 0.166 28.925 28.738 0.035 0.000 0.898 247 Q HN 0.564 nan 8.270 nan 0.000 0.424 248 Y N 0.435 120.747 120.300 0.019 0.000 2.352 248 Y HA 0.404 4.954 4.550 0.000 0.000 0.339 248 Y C -2.034 173.872 175.900 0.009 0.000 0.992 248 Y CA -2.998 55.110 58.100 0.013 0.000 1.100 248 Y CB 1.298 39.758 38.460 0.001 0.000 1.192 248 Y HN 0.157 nan 8.280 nan 0.000 0.458 249 P HA 0.089 nan 4.420 nan 0.000 0.272 249 P C -0.965 176.336 177.300 0.002 0.000 1.230 249 P CA -0.684 62.419 63.100 0.006 0.000 0.788 249 P CB 0.693 32.326 31.700 -0.113 0.000 0.949 250 K N 1.157 121.544 120.400 -0.022 0.000 2.185 250 K HA 0.317 4.637 4.320 0.000 0.000 0.269 250 K C -0.827 175.740 176.600 -0.054 0.000 0.987 250 K CA -0.315 55.971 56.287 -0.001 0.000 0.865 250 K CB 0.506 33.044 32.500 0.064 0.000 1.090 250 K HN 0.337 nan 8.250 nan 0.000 0.450 251 T N 3.351 117.857 114.554 -0.079 0.000 2.749 251 T HA 0.192 4.542 4.350 0.000 0.000 0.295 251 T C -0.300 174.294 174.700 -0.177 0.000 0.936 251 T CA -0.564 61.457 62.100 -0.133 0.000 1.060 251 T CB 1.023 69.820 68.868 -0.117 0.000 0.904 251 T HN 0.304 nan 8.240 nan 0.000 0.500 252 V N 5.933 125.658 119.914 -0.315 0.000 2.481 252 V HA 0.575 4.695 4.120 0.000 0.000 0.286 252 V C 0.253 176.079 176.094 -0.447 0.000 1.042 252 V CA -0.807 61.255 62.300 -0.395 0.000 0.928 252 V CB 1.037 32.484 31.823 -0.627 0.000 0.986 252 V HN 0.806 nan 8.190 nan 0.000 0.462 253 R N 5.137 125.487 120.500 -0.250 0.000 2.538 253 R HA 0.690 5.030 4.340 0.000 0.000 0.292 253 R C -1.743 174.505 176.300 -0.086 0.000 1.008 253 R CA -0.623 55.359 56.100 -0.196 0.000 0.896 253 R CB 1.707 31.933 30.300 -0.122 0.000 1.187 253 R HN 0.586 nan 8.270 nan 0.000 0.440 254 I N 2.785 123.288 120.570 -0.112 0.000 2.465 254 I HA 0.350 4.520 4.170 0.000 0.000 0.291 254 I C -2.406 173.721 176.117 0.017 0.000 1.014 254 I CA -2.809 58.476 61.300 -0.025 0.000 1.093 254 I CB 2.876 40.758 38.000 -0.195 0.000 1.267 254 I HN 0.249 nan 8.210 nan 0.000 0.431 255 P HA 0.070 nan 4.420 nan 0.000 0.275 255 P C -1.483 175.895 177.300 0.130 0.000 1.276 255 P CA 0.259 63.436 63.100 0.128 0.000 0.782 255 P CB -0.085 31.731 31.700 0.193 0.000 0.851 256 Y N 6.891 127.151 120.300 -0.068 0.000 2.346 256 Y HA 0.462 5.012 4.550 -0.000 0.000 0.332 256 Y C -2.693 173.176 175.900 -0.052 0.000 0.985 256 Y CA -2.888 55.133 58.100 -0.131 0.000 1.112 256 Y CB 1.987 40.267 38.460 -0.300 0.000 1.170 256 Y HN 0.281 nan 8.280 nan 0.000 0.447 257 P HA 0.305 nan 4.420 nan 0.000 0.297 257 P C -1.280 176.028 177.300 0.013 0.000 1.342 257 P CA -0.409 62.697 63.100 0.010 0.000 0.801 257 P CB 1.728 33.418 31.700 -0.017 0.000 0.920 258 K N 1.923 122.423 120.400 0.167 0.000 2.109 258 K HA 0.579 4.899 4.320 0.000 0.000 0.243 258 K C 0.395 177.081 176.600 0.143 0.000 1.006 258 K CA -0.833 55.575 56.287 0.203 0.000 0.917 258 K CB 0.704 33.359 32.500 0.258 0.000 1.081 258 K HN 0.458 nan 8.250 nan 0.000 0.468 259 A N 0.799 123.733 122.820 0.190 0.000 2.608 259 A HA 0.127 4.447 4.320 0.000 0.000 0.246 259 A C 1.268 178.893 177.584 0.069 0.000 0.998 259 A CA 1.218 53.358 52.037 0.172 0.000 0.796 259 A CB -1.385 17.775 19.000 0.267 0.000 0.895 259 A HN 0.951 nan 8.150 nan 0.000 0.508 260 G N 0.952 109.782 108.800 0.049 0.000 2.186 260 G HA2 0.069 4.029 3.960 0.000 0.000 0.266 260 G HA3 0.069 4.029 3.960 0.000 0.000 0.266 260 G C 0.678 175.587 174.900 0.016 0.000 0.982 260 G CA 1.166 46.271 45.100 0.009 0.000 0.670 260 G HN 2.307 nan 8.290 nan 0.000 0.533 261 A N -0.515 122.328 122.820 0.040 0.000 2.257 261 A HA 0.655 4.975 4.320 0.000 0.000 0.289 261 A C 0.634 178.240 177.584 0.037 0.000 1.095 261 A CA -0.334 51.728 52.037 0.041 0.000 0.836 261 A CB 0.413 19.451 19.000 0.063 0.000 1.111 261 A HN 0.251 nan 8.150 nan 0.000 0.497 262 E N 1.345 121.567 120.200 0.037 0.000 2.480 262 E HA 0.002 4.352 4.350 0.000 0.000 0.258 262 E C -0.433 176.197 176.600 0.051 0.000 0.984 262 E CA 0.361 56.783 56.400 0.036 0.000 0.930 262 E CB 0.176 29.899 29.700 0.039 0.000 0.936 262 E HN 0.496 nan 8.360 nan 0.000 0.466 263 N N 3.180 121.909 118.700 0.049 0.000 2.476 263 N HA 0.401 5.141 4.740 0.000 0.000 0.276 263 N C -2.351 173.227 175.510 0.113 0.000 1.204 263 N CA -1.522 51.576 53.050 0.080 0.000 0.974 263 N CB 0.624 39.160 38.487 0.083 0.000 1.204 263 N HN 0.222 nan 8.380 nan 0.000 0.543 264 P HA 0.137 nan 4.420 nan 0.000 0.274 264 P C -0.577 176.869 177.300 0.243 0.000 1.231 264 P CA -0.157 63.082 63.100 0.231 0.000 0.790 264 P CB 0.505 32.383 31.700 0.296 0.000 0.951 265 T N -1.345 113.333 114.554 0.206 0.000 2.944 265 T HA 0.566 4.916 4.350 0.000 0.000 0.284 265 T C -0.194 174.624 174.700 0.198 0.000 1.010 265 T CA -0.849 61.336 62.100 0.142 0.000 1.025 265 T CB 1.462 70.377 68.868 0.079 0.000 1.079 265 T HN 0.342 nan 8.240 nan 0.000 0.516 266 V N 0.475 120.475 119.914 0.143 0.000 2.841 266 V HA 0.656 4.776 4.120 0.000 0.000 0.310 266 V C -1.532 174.601 176.094 0.065 0.000 1.090 266 V CA -0.885 61.469 62.300 0.090 0.000 0.930 266 V CB 2.034 33.967 31.823 0.183 0.000 1.014 266 V HN 0.971 nan 8.190 nan 0.000 0.425 267 K N 5.398 125.752 120.400 -0.078 0.000 2.345 267 K HA 0.509 4.830 4.320 0.000 0.000 0.255 267 K C -1.611 174.792 176.600 -0.328 0.000 0.934 267 K CA -0.437 55.736 56.287 -0.191 0.000 0.801 267 K CB 2.575 34.952 32.500 -0.206 0.000 1.137 267 K HN 0.577 nan 8.250 nan 0.000 0.424 268 F N 3.195 122.821 119.950 -0.541 0.000 2.450 268 F HA 0.580 5.107 4.527 0.000 0.000 0.332 268 F C -1.235 174.031 175.800 -0.891 0.000 1.093 268 F CA -0.623 57.058 58.000 -0.531 0.000 1.003 268 F CB 0.696 39.523 39.000 -0.288 0.000 1.151 268 F HN 0.395 nan 8.300 nan 0.000 0.474 269 F N 3.692 122.816 119.950 -1.376 0.000 2.613 269 F HA 0.659 5.186 4.527 0.000 0.000 0.310 269 F C -1.094 174.084 175.800 -1.036 0.000 1.085 269 F CA -1.167 56.225 58.000 -1.013 0.000 0.945 269 F CB 2.094 40.524 39.000 -0.950 0.000 1.298 269 F HN 0.128 nan 8.300 nan 0.000 0.455 270 V N 2.959 122.681 119.914 -0.319 0.000 2.487 270 V HA 0.568 4.688 4.120 0.000 0.000 0.298 270 V C -0.816 175.321 176.094 0.072 0.000 1.028 270 V CA -0.807 61.351 62.300 -0.237 0.000 0.860 270 V CB 1.779 33.249 31.823 -0.589 0.000 0.991 270 V HN 0.527 nan 8.190 nan 0.000 0.427 271 V N 3.162 123.182 119.914 0.177 0.000 2.459 271 V HA 0.388 4.508 4.120 0.000 0.000 0.295 271 V C -0.160 176.174 176.094 0.399 0.000 1.029 271 V CA -0.542 61.906 62.300 0.248 0.000 0.874 271 V CB 1.963 33.890 31.823 0.174 0.000 0.985 271 V HN 0.876 nan 8.190 nan 0.000 0.438 272 D N 3.360 124.014 120.400 0.425 0.000 2.393 272 D HA 0.081 4.721 4.640 0.000 0.000 0.232 272 D C 1.402 177.867 176.300 0.275 0.000 1.192 272 D CA 0.119 54.419 54.000 0.500 0.000 0.882 272 D CB 1.659 42.738 40.800 0.465 0.000 1.038 272 D HN 0.770 nan 8.370 nan 0.000 0.499 273 T N 1.388 116.080 114.554 0.230 0.000 3.035 273 T HA -0.084 4.266 4.350 0.000 0.000 0.268 273 T C 1.696 176.469 174.700 0.121 0.000 1.109 273 T CA 0.501 62.704 62.100 0.172 0.000 1.119 273 T CB 0.027 69.042 68.868 0.245 0.000 0.900 273 T HN 0.328 nan 8.240 nan 0.000 0.503 274 R N 1.492 122.045 120.500 0.089 0.000 2.127 274 R HA -0.051 4.289 4.340 0.000 0.000 0.238 274 R C 2.232 178.576 176.300 0.073 0.000 1.134 274 R CA 1.760 57.894 56.100 0.056 0.000 0.975 274 R CB -0.685 29.630 30.300 0.025 0.000 0.865 274 R HN 0.673 nan 8.270 nan 0.000 0.447 275 T N -1.608 113.004 114.554 0.098 0.000 3.206 275 T HA 0.200 4.550 4.350 0.000 0.000 0.253 275 T C 0.262 175.011 174.700 0.081 0.000 1.042 275 T CA -0.379 61.774 62.100 0.089 0.000 0.931 275 T CB 0.067 68.997 68.868 0.103 0.000 1.029 275 T HN -0.159 nan 8.240 nan 0.000 0.564 276 L N 2.761 124.033 121.223 0.081 0.000 2.433 276 L HA 0.556 4.896 4.340 0.000 0.000 0.275 276 L C 0.324 177.232 176.870 0.064 0.000 1.128 276 L CA 0.237 55.121 54.840 0.072 0.000 0.875 276 L CB 0.160 42.263 42.059 0.074 0.000 1.171 276 L HN 0.379 nan 8.230 nan 0.000 0.463 277 S N 5.080 120.818 115.700 0.062 0.000 2.543 277 S HA 0.505 4.975 4.470 0.000 0.000 0.273 277 S C -1.957 172.680 174.600 0.061 0.000 1.152 277 S CA -0.871 57.363 58.200 0.057 0.000 0.910 277 S CB 1.664 64.894 63.200 0.050 0.000 1.105 277 S HN 0.381 nan 8.310 nan 0.000 0.465 278 P HA -0.173 nan 4.420 nan 0.000 0.220 278 P C 0.352 177.688 177.300 0.060 0.000 1.155 278 P CA 1.532 64.674 63.100 0.069 0.000 0.880 278 P CB -0.095 31.642 31.700 0.061 0.000 0.790 279 N N -0.663 118.064 118.700 0.046 0.000 2.279 279 N HA 0.289 5.029 4.740 0.000 0.000 0.226 279 N C 0.178 175.706 175.510 0.030 0.000 1.126 279 N CA 0.040 53.109 53.050 0.032 0.000 0.846 279 N CB 0.684 39.186 38.487 0.026 0.000 1.050 279 N HN 0.144 nan 8.380 nan 0.000 0.502 280 A N 0.463 123.308 122.820 0.041 0.000 2.374 280 A HA 0.587 4.907 4.320 0.000 0.000 0.317 280 A C 0.595 178.207 177.584 0.045 0.000 1.094 280 A CA -0.567 51.496 52.037 0.042 0.000 0.765 280 A CB 1.128 20.159 19.000 0.052 0.000 1.268 280 A HN 0.176 nan 8.150 nan 0.000 0.438 281 S N 0.487 116.209 115.700 0.038 0.000 2.617 281 S HA 0.455 4.925 4.470 0.000 0.000 0.255 281 S C 0.112 174.750 174.600 0.065 0.000 1.318 281 S CA -0.340 57.881 58.200 0.036 0.000 0.978 281 S CB 0.468 63.685 63.200 0.028 0.000 0.961 281 S HN 0.917 nan 8.310 nan 0.000 0.582 282 V N 1.216 121.172 119.914 0.071 0.000 2.439 282 V HA 0.365 4.485 4.120 0.000 0.000 0.282 282 V C 0.184 176.335 176.094 0.095 0.000 1.039 282 V CA -0.526 61.823 62.300 0.082 0.000 0.913 282 V CB 1.429 33.295 31.823 0.072 0.000 0.983 282 V HN 1.021 nan 8.190 nan 0.000 0.460 283 T N 4.488 119.118 114.554 0.126 0.000 2.811 283 T HA 0.459 4.809 4.350 0.000 0.000 0.309 283 T C 0.021 174.845 174.700 0.208 0.000 1.005 283 T CA -0.245 61.957 62.100 0.170 0.000 0.955 283 T CB 0.402 69.388 68.868 0.198 0.000 0.970 283 T HN 0.878 nan 8.240 nan 0.000 0.496 284 S N 3.018 118.841 115.700 0.204 0.000 2.599 284 S HA 0.751 5.221 4.470 0.000 0.000 0.287 284 S C -1.523 173.283 174.600 0.344 0.000 1.105 284 S CA -0.975 57.368 58.200 0.238 0.000 0.899 284 S CB 1.772 65.042 63.200 0.117 0.000 1.100 284 S HN 0.566 nan 8.310 nan 0.000 0.482 285 Y N 1.237 121.677 120.300 0.234 0.000 2.406 285 Y HA 0.501 5.051 4.550 -0.000 0.000 0.340 285 Y C -0.478 175.529 175.900 0.178 0.000 0.975 285 Y CA -0.554 57.692 58.100 0.244 0.000 1.056 285 Y CB 1.866 40.535 38.460 0.348 0.000 1.210 285 Y HN 0.958 nan 8.280 nan 0.000 0.448 286 Q N 6.319 125.865 119.800 -0.422 0.000 2.256 286 Q HA 0.531 4.871 4.340 0.000 0.000 0.254 286 Q C -1.490 174.161 176.000 -0.582 0.000 0.916 286 Q CA -0.449 55.023 55.803 -0.552 0.000 0.932 286 Q CB 0.796 29.197 28.738 -0.561 0.000 1.207 286 Q HN 0.793 nan 8.270 nan 0.000 0.426 287 I N 4.672 125.104 120.570 -0.230 0.000 2.330 287 I HA 0.263 4.433 4.170 0.000 0.000 0.289 287 I C -0.442 175.658 176.117 -0.030 0.000 1.001 287 I CA -0.917 60.381 61.300 -0.003 0.000 1.193 287 I CB 1.578 39.706 38.000 0.213 0.000 1.345 287 I HN 0.449 nan 8.210 nan 0.000 0.461 288 V N 8.401 128.229 119.914 -0.144 0.000 2.785 288 V HA 0.314 4.434 4.120 0.000 0.000 0.300 288 V C -1.765 174.023 176.094 -0.510 0.000 1.062 288 V CA -1.364 60.758 62.300 -0.296 0.000 1.029 288 V CB 1.232 32.898 31.823 -0.263 0.000 1.024 288 V HN 0.621 nan 8.190 nan 0.000 0.477 289 P HA 0.264 nan 4.420 nan 0.000 0.274 289 P C -2.824 174.029 177.300 -0.745 0.000 1.237 289 P CA -1.718 60.483 63.100 -1.500 0.000 0.793 289 P CB 0.039 30.394 31.700 -2.242 0.000 0.977 290 P HA -0.059 nan 4.420 nan 0.000 0.265 290 P C 1.017 178.147 177.300 -0.283 0.000 1.187 290 P CA 0.455 63.390 63.100 -0.275 0.000 0.766 290 P CB 0.093 31.709 31.700 -0.141 0.000 0.820 291 A N 3.549 126.247 122.820 -0.203 0.000 1.909 291 A HA -0.307 4.013 4.320 0.000 0.000 0.221 291 A C 2.205 179.671 177.584 -0.195 0.000 1.223 291 A CA 2.951 54.877 52.037 -0.185 0.000 0.658 291 A CB -2.040 16.886 19.000 -0.124 0.000 0.831 291 A HN 0.648 nan 8.150 nan 0.000 0.462 292 S N -1.349 114.257 115.700 -0.158 0.000 2.461 292 S HA -0.094 4.376 4.470 0.000 0.000 0.246 292 S C 1.392 175.825 174.600 -0.279 0.000 1.007 292 S CA 1.675 59.758 58.200 -0.196 0.000 0.976 292 S CB -0.451 62.691 63.200 -0.096 0.000 0.763 292 S HN 0.406 nan 8.310 nan 0.000 0.508 293 V N 0.206 119.962 119.914 -0.264 0.000 3.219 293 V HA 0.301 4.421 4.120 0.000 0.000 0.240 293 V C 1.938 177.779 176.094 -0.422 0.000 1.222 293 V CA 0.258 62.381 62.300 -0.295 0.000 1.181 293 V CB -0.194 31.463 31.823 -0.276 0.000 0.941 293 V HN 0.432 nan 8.190 nan 0.000 0.471 294 L N 0.374 121.303 121.223 -0.490 0.000 2.450 294 L HA -0.110 4.230 4.340 0.000 0.000 0.224 294 L C 2.132 178.868 176.870 -0.224 0.000 1.149 294 L CA 1.298 55.862 54.840 -0.461 0.000 0.816 294 L CB -0.141 41.691 42.059 -0.378 0.000 0.932 294 L HN 0.353 nan 8.230 nan 0.000 0.449 295 I N -0.706 119.748 120.570 -0.194 0.000 2.226 295 I HA -0.125 4.045 4.170 0.000 0.000 0.245 295 I C 1.415 177.486 176.117 -0.077 0.000 1.100 295 I CA 1.128 62.350 61.300 -0.129 0.000 1.374 295 I CB -0.566 37.346 38.000 -0.148 0.000 1.057 295 I HN 0.312 nan 8.210 nan 0.000 0.413 296 G N -0.633 108.138 108.800 -0.049 0.000 3.135 296 G HA2 0.285 4.245 3.960 0.000 0.000 0.278 296 G HA3 0.285 4.245 3.960 0.000 0.000 0.278 296 G C -1.478 173.467 174.900 0.075 0.000 1.302 296 G CA -0.467 44.626 45.100 -0.011 0.000 0.880 296 G HN -0.089 nan 8.290 nan 0.000 0.574 297 D N 1.303 121.683 120.400 -0.032 0.000 2.488 297 D HA 0.336 4.976 4.640 0.000 0.000 0.238 297 D C 0.315 176.512 176.300 -0.173 0.000 1.138 297 D CA 0.771 54.679 54.000 -0.154 0.000 0.873 297 D CB 0.389 41.072 40.800 -0.195 0.000 1.183 297 D HN 0.514 nan 8.370 nan 0.000 0.458 298 H N -0.605 118.319 119.070 -0.242 0.000 2.966 298 H HA 0.470 5.026 4.556 -0.000 0.000 0.330 298 H C -1.305 173.899 175.328 -0.206 0.000 1.292 298 H CA -0.834 55.079 56.048 -0.226 0.000 1.127 298 H CB 0.418 30.175 29.762 -0.009 0.000 1.863 298 H HN 0.253 nan 8.280 nan 0.000 0.543 299 Y N 0.091 120.598 120.300 0.346 0.000 2.512 299 Y HA 0.373 4.923 4.550 0.000 0.000 0.348 299 Y C -0.376 175.778 175.900 0.423 0.000 0.990 299 Y CA -1.159 57.123 58.100 0.304 0.000 1.033 299 Y CB 2.067 40.521 38.460 -0.011 0.000 1.259 299 Y HN 0.479 nan 8.280 nan 0.000 0.461 300 L N 3.726 125.287 121.223 0.564 0.000 2.255 300 L HA 0.414 4.754 4.340 0.000 0.000 0.289 300 L C 0.365 177.323 176.870 0.146 0.000 1.046 300 L CA -0.359 54.483 54.840 0.003 0.000 0.816 300 L CB 0.247 42.235 42.059 -0.119 0.000 1.197 300 L HN 0.939 nan 8.230 nan 0.000 0.427 301 C N 1.901 121.209 119.300 0.013 0.000 3.104 301 C HA 0.871 5.331 4.460 0.000 0.000 0.284 301 C C 0.648 175.763 174.990 0.208 0.000 1.326 301 C CA 0.012 59.093 59.018 0.106 0.000 1.725 301 C CB -1.085 26.682 27.740 0.045 0.000 2.156 301 C HN 0.906 nan 8.230 nan 0.000 0.638 302 G N -0.148 108.656 108.800 0.007 0.000 2.667 302 G HA2 0.597 4.557 3.960 0.000 0.000 0.294 302 G HA3 0.597 4.557 3.960 0.000 0.000 0.294 302 G C -1.904 172.698 174.900 -0.496 0.000 1.467 302 G CA -0.252 44.766 45.100 -0.138 0.000 0.852 302 G HN 0.509 nan 8.290 nan 0.000 0.521 303 V N 0.281 119.857 119.914 -0.563 0.000 2.752 303 V HA 0.792 4.912 4.120 0.000 0.000 0.302 303 V C -0.617 175.117 176.094 -0.599 0.000 1.133 303 V CA -0.733 61.018 62.300 -0.914 0.000 0.919 303 V CB 2.086 32.826 31.823 -1.806 0.000 1.026 303 V HN 1.006 nan 8.190 nan 0.000 0.429 304 T N 2.767 117.000 114.554 -0.536 0.000 3.237 304 T HA 0.366 4.716 4.350 0.000 0.000 0.319 304 T C -1.088 173.448 174.700 -0.274 0.000 1.037 304 T CA -0.465 61.477 62.100 -0.263 0.000 1.048 304 T CB 0.919 69.725 68.868 -0.104 0.000 1.081 304 T HN 0.536 nan 8.240 nan 0.000 0.455 305 W N 2.276 123.510 121.300 -0.110 0.000 2.272 305 W HA 0.417 5.077 4.660 -0.000 0.000 0.318 305 W C 1.084 177.538 176.519 -0.109 0.000 1.255 305 W CA -0.485 56.816 57.345 -0.073 0.000 1.200 305 W CB 0.864 30.357 29.460 0.055 0.000 1.170 305 W HN 0.469 nan 8.180 nan 0.000 0.549 306 V N 1.290 121.266 119.914 0.103 0.000 2.788 306 V HA 0.113 4.233 4.120 0.000 0.000 0.241 306 V C 0.752 176.916 176.094 0.117 0.000 1.083 306 V CA 1.261 63.524 62.300 -0.061 0.000 1.103 306 V CB -0.199 31.376 31.823 -0.413 0.000 0.800 306 V HN 0.682 nan 8.190 nan 0.000 0.476 307 T N -4.320 110.359 114.554 0.209 0.000 2.731 307 T HA 0.337 4.687 4.350 0.000 0.000 0.300 307 T C 0.287 175.151 174.700 0.272 0.000 1.283 307 T CA -0.496 61.722 62.100 0.197 0.000 1.005 307 T CB 1.977 70.946 68.868 0.168 0.000 1.420 307 T HN -0.092 nan 8.240 nan 0.000 0.503 308 E N 0.383 120.691 120.200 0.181 0.000 2.338 308 E HA -0.042 4.308 4.350 0.000 0.000 0.197 308 E C 0.911 177.809 176.600 0.496 0.000 1.007 308 E CA 1.020 57.528 56.400 0.181 0.000 0.849 308 E CB 0.126 29.843 29.700 0.028 0.000 0.774 308 E HN 0.742 nan 8.360 nan 0.000 0.506 309 E N 0.035 120.499 120.200 0.441 0.000 2.603 309 E HA 0.133 4.483 4.350 0.000 0.000 0.211 309 E C 0.321 177.200 176.600 0.465 0.000 0.995 309 E CA -0.172 56.484 56.400 0.427 0.000 0.990 309 E CB 0.887 30.738 29.700 0.253 0.000 1.036 309 E HN -0.111 nan 8.360 nan 0.000 0.475 310 R N 1.547 122.394 120.500 0.579 0.000 2.538 310 R HA 0.510 4.850 4.340 0.000 0.000 0.292 310 R C -1.742 174.762 176.300 0.341 0.000 1.008 310 R CA -0.422 55.934 56.100 0.426 0.000 0.896 310 R CB 1.250 31.652 30.300 0.169 0.000 1.187 310 R HN 0.030 nan 8.270 nan 0.000 0.440 311 I N 2.359 123.013 120.570 0.140 0.000 2.608 311 I HA 0.356 4.526 4.170 0.000 0.000 0.295 311 I C -1.130 174.771 176.117 -0.361 0.000 1.049 311 I CA -0.513 60.596 61.300 -0.319 0.000 1.063 311 I CB 2.382 39.869 38.000 -0.855 0.000 1.248 311 I HN 0.657 nan 8.210 nan 0.000 0.424 312 S N 7.760 123.173 115.700 -0.479 0.000 2.520 312 S HA 0.574 5.044 4.470 0.000 0.000 0.324 312 S C -0.786 173.521 174.600 -0.488 0.000 1.069 312 S CA -0.676 57.289 58.200 -0.393 0.000 1.121 312 S CB 0.211 63.222 63.200 -0.315 0.000 0.971 312 S HN 0.478 nan 8.310 nan 0.000 0.463 313 L N 4.182 125.121 121.223 -0.473 0.000 2.343 313 L HA 0.578 4.918 4.340 0.000 0.000 0.275 313 L C 0.168 176.759 176.870 -0.464 0.000 1.056 313 L CA -0.649 53.792 54.840 -0.664 0.000 0.804 313 L CB 1.592 43.225 42.059 -0.710 0.000 1.203 313 L HN 0.602 nan 8.230 nan 0.000 0.440 314 Q N 1.741 121.183 119.800 -0.596 0.000 2.310 314 Q HA 0.394 4.734 4.340 0.000 0.000 0.270 314 Q C -1.998 173.770 176.000 -0.388 0.000 1.025 314 Q CA -0.588 55.024 55.803 -0.317 0.000 0.772 314 Q CB 1.583 30.202 28.738 -0.198 0.000 1.253 314 Q HN 0.460 nan 8.270 nan 0.000 0.450 315 W N 3.779 125.067 121.300 -0.020 0.000 2.781 315 W HA 0.702 5.362 4.660 -0.000 0.000 0.345 315 W C -0.700 175.878 176.519 0.100 0.000 1.085 315 W CA -0.645 56.731 57.345 0.051 0.000 1.198 315 W CB 1.316 30.781 29.460 0.008 0.000 1.423 315 W HN 0.547 nan 8.180 nan 0.000 0.532 316 I N 1.351 122.171 120.570 0.417 0.000 2.769 316 I HA 0.480 4.650 4.170 0.000 0.000 0.298 316 I C -0.201 176.094 176.117 0.297 0.000 1.128 316 I CA -1.114 60.381 61.300 0.325 0.000 1.031 316 I CB 1.478 39.638 38.000 0.267 0.000 1.235 316 I HN 0.396 nan 8.210 nan 0.000 0.423 317 R N 4.031 124.668 120.500 0.228 0.000 2.615 317 R HA 0.304 4.644 4.340 0.000 0.000 0.270 317 R C 1.029 177.335 176.300 0.010 0.000 1.081 317 R CA -0.337 55.820 56.100 0.094 0.000 1.154 317 R CB 0.576 30.913 30.300 0.062 0.000 1.063 317 R HN 0.584 nan 8.270 nan 0.000 0.519 318 R N 1.436 121.841 120.500 -0.158 0.000 2.117 318 R HA -0.112 4.228 4.340 0.000 0.000 0.243 318 R C 0.128 176.437 176.300 0.015 0.000 1.143 318 R CA 1.738 57.709 56.100 -0.215 0.000 0.968 318 R CB -0.074 30.087 30.300 -0.232 0.000 0.863 318 R HN 0.649 nan 8.270 nan 0.000 0.444 319 A N 1.421 124.246 122.820 0.008 0.000 2.539 319 A HA 0.096 4.416 4.320 0.000 0.000 0.306 319 A C -0.244 177.382 177.584 0.071 0.000 1.392 319 A CA -0.292 51.763 52.037 0.029 0.000 1.060 319 A CB 0.382 19.392 19.000 0.016 0.000 1.134 319 A HN 0.443 nan 8.150 nan 0.000 0.542 320 Q N 1.544 121.386 119.800 0.071 0.000 2.294 320 Q HA -0.066 4.274 4.340 0.000 0.000 0.207 320 Q C 0.695 176.762 176.000 0.112 0.000 0.887 320 Q CA 0.409 56.272 55.803 0.101 0.000 0.987 320 Q CB -0.168 28.596 28.738 0.042 0.000 1.101 320 Q HN 0.885 nan 8.270 nan 0.000 0.447 321 N N -1.134 117.635 118.700 0.116 0.000 2.205 321 N HA -0.061 4.679 4.740 0.000 0.000 0.201 321 N C -0.942 174.651 175.510 0.138 0.000 1.128 321 N CA -0.083 53.026 53.050 0.099 0.000 0.867 321 N CB 0.342 38.868 38.487 0.066 0.000 0.996 321 N HN 0.175 nan 8.380 nan 0.000 0.503 322 Y N 0.738 121.063 120.300 0.042 0.000 2.329 322 Y HA 0.584 5.134 4.550 0.000 0.000 0.328 322 Y C -0.945 174.995 175.900 0.067 0.000 0.992 322 Y CA -1.198 56.928 58.100 0.044 0.000 1.151 322 Y CB 1.516 39.992 38.460 0.027 0.000 1.150 322 Y HN 0.019 nan 8.280 nan 0.000 0.450 323 S N 6.860 122.510 115.700 -0.084 0.000 2.542 323 S HA 0.778 5.248 4.470 0.000 0.000 0.293 323 S C -1.700 172.861 174.600 -0.066 0.000 1.089 323 S CA -0.632 57.589 58.200 0.036 0.000 0.961 323 S CB 1.094 64.314 63.200 0.034 0.000 1.062 323 S HN 0.746 nan 8.310 nan 0.000 0.483 324 I N 3.846 124.473 120.570 0.096 0.000 2.656 324 I HA 0.536 4.706 4.170 0.000 0.000 0.292 324 I C -1.614 174.579 176.117 0.127 0.000 1.144 324 I CA -1.089 60.263 61.300 0.088 0.000 1.038 324 I CB 1.583 39.677 38.000 0.156 0.000 1.244 324 I HN 0.701 nan 8.210 nan 0.000 0.420 325 I N 5.887 126.507 120.570 0.084 0.000 2.336 325 I HA 0.306 4.476 4.170 0.000 0.000 0.292 325 I C -1.078 175.106 176.117 0.111 0.000 0.991 325 I CA -0.316 61.012 61.300 0.047 0.000 1.227 325 I CB 1.512 39.465 38.000 -0.078 0.000 1.366 325 I HN 0.457 nan 8.210 nan 0.000 0.466 326 D N 7.556 128.010 120.400 0.089 0.000 2.462 326 D HA 0.390 5.030 4.640 0.000 0.000 0.245 326 D C -0.530 175.787 176.300 0.028 0.000 1.122 326 D CA -0.316 53.737 54.000 0.089 0.000 0.864 326 D CB 0.993 41.862 40.800 0.116 0.000 1.098 326 D HN 0.276 nan 8.370 nan 0.000 0.541 327 I N 4.054 124.661 120.570 0.062 0.000 2.308 327 I HA 0.191 4.361 4.170 0.000 0.000 0.293 327 I C -0.071 176.083 176.117 0.062 0.000 1.078 327 I CA -0.467 60.847 61.300 0.023 0.000 1.292 327 I CB 0.349 38.402 38.000 0.087 0.000 1.423 327 I HN 0.275 nan 8.210 nan 0.000 0.493 328 C N 4.925 124.266 119.300 0.069 0.000 2.350 328 C HA 0.400 4.860 4.460 0.000 0.000 0.348 328 C C 0.137 175.317 174.990 0.316 0.000 1.260 328 C CA -0.834 58.300 59.018 0.193 0.000 1.966 328 C CB 0.471 28.366 27.740 0.259 0.000 2.380 328 C HN 0.585 nan 8.230 nan 0.000 0.535 329 D N 0.451 120.975 120.400 0.206 0.000 2.181 329 D HA 0.251 4.891 4.640 0.000 0.000 0.248 329 D C -0.638 175.563 176.300 -0.164 0.000 1.020 329 D CA -0.182 53.879 54.000 0.102 0.000 0.891 329 D CB 1.091 41.907 40.800 0.027 0.000 1.187 329 D HN 0.603 nan 8.370 nan 0.000 0.443 330 Y N 1.133 121.029 120.300 -0.673 0.000 2.304 330 Y HA 0.206 4.756 4.550 -0.000 0.000 0.328 330 Y C -0.266 175.299 175.900 -0.557 0.000 1.123 330 Y CA -0.448 56.937 58.100 -1.193 0.000 1.218 330 Y CB 0.911 38.517 38.460 -1.423 0.000 1.207 330 Y HN 0.127 nan 8.280 nan 0.000 0.495 331 D N 5.091 124.832 120.400 -1.099 0.000 2.427 331 D HA 0.140 4.780 4.640 0.000 0.000 0.226 331 D C 0.394 176.094 176.300 -1.000 0.000 1.076 331 D CA -0.139 53.411 54.000 -0.750 0.000 0.849 331 D CB 0.868 41.359 40.800 -0.514 0.000 1.052 331 D HN 0.801 nan 8.370 nan 0.000 0.515 332 E N 1.387 121.211 120.200 -0.627 0.000 2.160 332 E HA -0.178 4.172 4.350 0.000 0.000 0.195 332 E C 1.474 177.927 176.600 -0.246 0.000 0.991 332 E CA 1.228 57.407 56.400 -0.369 0.000 0.810 332 E CB 0.113 29.771 29.700 -0.071 0.000 0.742 332 E HN 0.549 nan 8.360 nan 0.000 0.466 333 S N -0.248 115.316 115.700 -0.228 0.000 2.562 333 S HA -0.028 4.442 4.470 0.000 0.000 0.221 333 S C 1.759 176.275 174.600 -0.141 0.000 0.975 333 S CA 1.082 59.199 58.200 -0.139 0.000 0.918 333 S CB 0.081 63.217 63.200 -0.106 0.000 0.772 333 S HN 0.298 nan 8.310 nan 0.000 0.531 334 T N -4.660 109.756 114.554 -0.230 0.000 2.992 334 T HA 0.550 4.900 4.350 0.000 0.000 0.255 334 T C 1.607 176.196 174.700 -0.186 0.000 0.938 334 T CA 0.575 62.568 62.100 -0.178 0.000 0.895 334 T CB 0.015 68.770 68.868 -0.188 0.000 1.221 334 T HN 1.092 nan 8.240 nan 0.000 0.512 335 G N 2.370 110.955 108.800 -0.359 0.000 2.205 335 G HA2 -0.259 3.701 3.960 0.000 0.000 0.261 335 G HA3 -0.259 3.701 3.960 0.000 0.000 0.261 335 G C 0.285 175.001 174.900 -0.308 0.000 0.980 335 G CA 0.024 45.022 45.100 -0.171 0.000 0.632 335 G HN 0.693 nan 8.290 nan 0.000 0.533 336 R N -1.090 119.061 120.500 -0.582 0.000 2.707 336 R HA 0.415 4.755 4.340 0.000 0.000 0.270 336 R C -0.605 175.137 176.300 -0.931 0.000 1.083 336 R CA 0.056 55.557 56.100 -0.999 0.000 1.182 336 R CB 0.441 30.340 30.300 -0.669 0.000 1.084 336 R HN 0.213 nan 8.270 nan 0.000 0.528 337 W N 1.763 122.501 121.300 -0.937 0.000 2.362 337 W HA 0.424 5.084 4.660 -0.000 0.000 0.316 337 W C -0.299 176.172 176.519 -0.080 0.000 1.024 337 W CA -0.303 56.907 57.345 -0.225 0.000 1.270 337 W CB 0.812 30.303 29.460 0.051 0.000 1.273 337 W HN 0.288 nan 8.180 nan 0.000 0.424 338 I N 3.123 123.718 120.570 0.041 0.000 2.428 338 I HA 0.378 4.548 4.170 0.000 0.000 0.296 338 I C 0.436 176.609 176.117 0.094 0.000 0.985 338 I CA -0.538 60.793 61.300 0.052 0.000 1.260 338 I CB 1.380 39.356 38.000 -0.040 0.000 1.389 338 I HN 0.191 nan 8.210 nan 0.000 0.484 339 S N 3.186 118.935 115.700 0.081 0.000 2.638 339 S HA 0.676 5.146 4.470 0.000 0.000 0.298 339 S C -0.450 174.173 174.600 0.037 0.000 1.111 339 S CA -0.701 57.538 58.200 0.064 0.000 1.027 339 S CB 1.792 65.022 63.200 0.049 0.000 1.064 339 S HN 0.746 nan 8.310 nan 0.000 0.525 340 S N 0.108 115.829 115.700 0.034 0.000 2.603 340 S HA 0.308 4.778 4.470 0.000 0.000 0.274 340 S C 0.499 175.106 174.600 0.012 0.000 1.168 340 S CA -0.784 57.428 58.200 0.020 0.000 0.963 340 S CB 0.740 63.956 63.200 0.026 0.000 1.078 340 S HN 0.275 nan 8.310 nan 0.000 0.477 341 V N 2.610 122.521 119.914 -0.004 0.000 2.428 341 V HA -0.287 3.833 4.120 0.000 0.000 0.255 341 V C 2.898 178.969 176.094 -0.039 0.000 1.080 341 V CA 2.781 65.068 62.300 -0.021 0.000 1.083 341 V CB -1.391 30.419 31.823 -0.022 0.000 0.665 341 V HN 1.057 nan 8.190 nan 0.000 0.461 342 A N -0.749 122.059 122.820 -0.019 0.000 2.066 342 A HA -0.122 4.198 4.320 0.000 0.000 0.218 342 A C 2.247 179.825 177.584 -0.011 0.000 1.157 342 A CA 1.255 53.279 52.037 -0.022 0.000 0.670 342 A CB -0.377 18.631 19.000 0.013 0.000 0.804 342 A HN 0.496 nan 8.150 nan 0.000 0.453 343 R N -0.257 120.269 120.500 0.043 0.000 2.388 343 R HA 0.156 4.496 4.340 0.000 0.000 0.247 343 R C -0.145 176.252 176.300 0.162 0.000 0.931 343 R CA 0.048 56.246 56.100 0.164 0.000 1.082 343 R CB 0.159 30.553 30.300 0.157 0.000 1.135 343 R HN 0.633 nan 8.270 nan 0.000 0.525 344 Q N -0.482 119.286 119.800 -0.053 0.000 2.226 344 Q HA 0.297 4.637 4.340 0.000 0.000 0.256 344 Q C -1.070 174.734 176.000 -0.327 0.000 0.962 344 Q CA -0.585 55.203 55.803 -0.025 0.000 0.887 344 Q CB 1.939 30.665 28.738 -0.020 0.000 1.282 344 Q HN 0.194 nan 8.270 nan 0.000 0.449 345 H N 0.422 119.526 119.070 0.057 0.000 3.018 345 H HA 0.390 4.946 4.556 0.000 0.000 0.334 345 H C -0.973 174.351 175.328 -0.006 0.000 0.983 345 H CA -0.339 55.745 56.048 0.060 0.000 1.363 345 H CB 0.899 30.711 29.762 0.083 0.000 1.668 345 H HN 0.436 nan 8.280 nan 0.000 0.513 346 I N 2.108 122.701 120.570 0.038 0.000 2.428 346 I HA 0.219 4.389 4.170 0.000 0.000 0.289 346 I C 0.211 176.273 176.117 -0.092 0.000 1.019 346 I CA -0.060 61.175 61.300 -0.107 0.000 1.351 346 I CB 1.156 39.063 38.000 -0.154 0.000 1.412 346 I HN 0.595 nan 8.210 nan 0.000 0.513 347 E N 7.786 127.870 120.200 -0.193 0.000 2.283 347 E HA 0.520 4.870 4.350 0.000 0.000 0.258 347 E C -1.383 175.111 176.600 -0.178 0.000 0.893 347 E CA -0.569 55.767 56.400 -0.106 0.000 0.798 347 E CB 1.645 31.321 29.700 -0.040 0.000 1.242 347 E HN 0.632 nan 8.360 nan 0.000 0.414 348 I N 0.434 120.930 120.570 -0.124 0.000 3.108 348 I HA 0.724 4.894 4.170 0.000 0.000 0.312 348 I C -1.022 175.079 176.117 -0.027 0.000 1.095 348 I CA -0.760 60.486 61.300 -0.090 0.000 1.000 348 I CB 2.388 40.345 38.000 -0.072 0.000 1.229 348 I HN 0.324 nan 8.210 nan 0.000 0.454 349 S N 0.612 116.306 115.700 -0.010 0.000 2.557 349 S HA 0.491 4.961 4.470 0.000 0.000 0.291 349 S C 0.318 174.914 174.600 -0.007 0.000 1.116 349 S CA 0.051 58.243 58.200 -0.015 0.000 0.992 349 S CB 1.405 64.579 63.200 -0.044 0.000 1.028 349 S HN 0.890 nan 8.310 nan 0.000 0.484 350 T N 0.016 114.568 114.554 -0.003 0.000 3.022 350 T HA 0.068 4.418 4.350 0.000 0.000 0.250 350 T C 1.451 176.147 174.700 -0.007 0.000 1.060 350 T CA 0.808 62.908 62.100 0.000 0.000 1.013 350 T CB -0.325 68.546 68.868 0.006 0.000 0.982 350 T HN 0.665 nan 8.240 nan 0.000 0.508 351 T N -2.122 112.435 114.554 0.005 0.000 3.014 351 T HA 0.619 4.969 4.350 0.000 0.000 0.250 351 T C 1.193 175.832 174.700 -0.101 0.000 1.060 351 T CA 0.395 62.516 62.100 0.034 0.000 1.040 351 T CB 0.432 69.371 68.868 0.118 0.000 0.971 351 T HN 0.608 nan 8.240 nan 0.000 0.497 352 G N 0.614 109.217 108.800 -0.328 0.000 2.818 352 G HA2 0.447 4.407 3.960 0.000 0.000 0.109 352 G HA3 0.447 4.407 3.960 0.000 0.000 0.109 352 G C -1.707 172.965 174.900 -0.379 0.000 1.206 352 G CA -0.424 44.258 45.100 -0.697 0.000 1.243 352 G HN 0.521 nan 8.290 nan 0.000 0.609 353 W N 0.203 121.197 121.300 -0.511 0.000 2.578 353 W HA 0.806 5.466 4.660 0.000 0.000 0.364 353 W C -0.488 175.971 176.519 -0.101 0.000 1.144 353 W CA -1.400 55.792 57.345 -0.256 0.000 1.242 353 W CB 1.088 30.356 29.460 -0.320 0.000 1.382 353 W HN 0.285 nan 8.180 nan 0.000 0.625 354 V N 3.403 123.377 119.914 0.100 0.000 2.465 354 V HA 0.657 4.777 4.120 0.000 0.000 0.279 354 V C 0.899 177.074 176.094 0.135 0.000 1.045 354 V CA 0.726 63.055 62.300 0.049 0.000 0.938 354 V CB 0.033 31.891 31.823 0.059 0.000 0.986 354 V HN 1.310 nan 8.190 nan 0.000 0.467 355 G N 5.653 114.485 108.800 0.054 0.000 2.642 355 G HA2 -0.211 3.749 3.960 0.000 0.000 0.231 355 G HA3 -0.211 3.749 3.960 0.000 0.000 0.231 355 G C 0.389 175.384 174.900 0.159 0.000 1.338 355 G CA 0.398 45.556 45.100 0.097 0.000 0.883 355 G HN 0.620 nan 8.290 nan 0.000 0.570 356 R N -1.634 118.952 120.500 0.142 0.000 2.103 356 R HA 0.380 4.720 4.340 0.000 0.000 0.212 356 R C 1.741 177.887 176.300 -0.257 0.000 1.107 356 R CA 1.540 57.656 56.100 0.028 0.000 1.025 356 R CB 0.137 30.448 30.300 0.018 0.000 0.929 356 R HN 0.410 nan 8.270 nan 0.000 0.456 357 F N -0.350 119.726 119.950 0.209 0.000 2.964 357 F HA 0.279 4.806 4.527 -0.000 0.000 0.371 357 F C 0.139 175.971 175.800 0.053 0.000 1.026 357 F CA -0.399 57.672 58.000 0.118 0.000 1.106 357 F CB 0.876 39.965 39.000 0.148 0.000 1.135 357 F HN -0.161 nan 8.300 nan 0.000 0.557 358 R N -0.058 120.575 120.500 0.222 0.000 2.709 358 R HA 0.378 4.718 4.340 0.000 0.000 0.270 358 R C -3.474 172.911 176.300 0.141 0.000 1.038 358 R CA -1.538 54.646 56.100 0.140 0.000 0.872 358 R CB 0.951 31.326 30.300 0.124 0.000 1.259 358 R HN -0.311 nan 8.270 nan 0.000 0.473 359 P HA 0.104 nan 4.420 nan 0.000 0.271 359 P C -0.168 177.186 177.300 0.091 0.000 1.218 359 P CA -0.067 63.086 63.100 0.089 0.000 0.780 359 P CB 0.728 32.463 31.700 0.059 0.000 0.901 360 A N 2.936 125.811 122.820 0.092 0.000 2.466 360 A HA 0.063 4.383 4.320 0.000 0.000 0.238 360 A C 0.461 178.093 177.584 0.079 0.000 1.074 360 A CA -0.008 52.096 52.037 0.113 0.000 0.774 360 A CB -0.339 18.733 19.000 0.120 0.000 1.015 360 A HN 0.571 nan 8.150 nan 0.000 0.498 361 E N 1.952 122.215 120.200 0.106 0.000 2.277 361 E HA 0.344 4.694 4.350 0.000 0.000 0.274 361 E C -2.342 174.280 176.600 0.037 0.000 1.022 361 E CA -1.783 54.634 56.400 0.028 0.000 0.853 361 E CB 0.980 30.685 29.700 0.008 0.000 1.086 361 E HN 0.533 nan 8.360 nan 0.000 0.397 362 P HA 0.060 nan 4.420 nan 0.000 0.275 362 P C -0.990 176.197 177.300 -0.188 0.000 1.227 362 P CA 0.074 63.032 63.100 -0.238 0.000 0.781 362 P CB 0.795 31.970 31.700 -0.874 0.000 0.906 363 H N 2.678 121.713 119.070 -0.059 0.000 2.685 363 H HA 0.279 4.835 4.556 0.000 0.000 0.307 363 H C -0.200 175.176 175.328 0.079 0.000 1.017 363 H CA -0.369 55.728 56.048 0.082 0.000 1.237 363 H CB 0.320 30.165 29.762 0.139 0.000 1.409 363 H HN 0.324 nan 8.280 nan 0.000 0.488 364 F N 1.716 121.819 119.950 0.254 0.000 2.389 364 F HA 0.058 4.585 4.527 0.000 0.000 0.337 364 F C 1.598 177.556 175.800 0.264 0.000 1.112 364 F CA -0.506 57.657 58.000 0.272 0.000 1.192 364 F CB 1.008 40.104 39.000 0.159 0.000 1.185 364 F HN 0.382 nan 8.300 nan 0.000 0.552 365 T N -1.501 113.326 114.554 0.456 0.000 2.813 365 T HA 0.056 4.406 4.350 0.000 0.000 0.297 365 T C 1.347 176.223 174.700 0.293 0.000 1.036 365 T CA -0.232 62.068 62.100 0.333 0.000 1.044 365 T CB 1.258 70.301 68.868 0.292 0.000 0.993 365 T HN 0.630 nan 8.240 nan 0.000 0.535 366 S N 0.937 116.767 115.700 0.216 0.000 2.365 366 S HA -0.198 4.272 4.470 0.000 0.000 0.225 366 S C 1.722 176.424 174.600 0.170 0.000 1.039 366 S CA 1.990 60.296 58.200 0.177 0.000 1.033 366 S CB -0.959 62.324 63.200 0.138 0.000 0.887 366 S HN 0.918 nan 8.310 nan 0.000 0.447 367 D N -0.596 119.905 120.400 0.168 0.000 2.312 367 D HA 0.070 4.710 4.640 0.000 0.000 0.211 367 D C 1.468 177.872 176.300 0.174 0.000 0.964 367 D CA 0.995 55.086 54.000 0.152 0.000 0.877 367 D CB -0.859 40.022 40.800 0.136 0.000 0.924 367 D HN 0.641 nan 8.370 nan 0.000 0.515 368 G N 1.250 110.192 108.800 0.237 0.000 2.148 368 G HA2 -0.348 3.612 3.960 0.000 0.000 0.254 368 G HA3 -0.348 3.612 3.960 0.000 0.000 0.254 368 G C 0.634 175.722 174.900 0.313 0.000 0.981 368 G CA 0.370 45.638 45.100 0.281 0.000 0.670 368 G HN 0.479 nan 8.290 nan 0.000 0.528 369 N N -0.083 118.779 118.700 0.270 0.000 2.463 369 N HA 0.251 4.992 4.740 0.000 0.000 0.181 369 N C 0.840 176.513 175.510 0.271 0.000 1.078 369 N CA 0.687 53.879 53.050 0.237 0.000 0.902 369 N CB 0.133 38.722 38.487 0.170 0.000 0.970 369 N HN 0.705 nan 8.380 nan 0.000 0.451 370 S N -0.333 115.561 115.700 0.324 0.000 2.588 370 S HA 0.622 5.092 4.470 0.000 0.000 0.269 370 S C -1.189 173.539 174.600 0.214 0.000 1.157 370 S CA -1.109 57.229 58.200 0.230 0.000 0.824 370 S CB 1.364 64.669 63.200 0.174 0.000 1.126 370 S HN 0.176 nan 8.310 nan 0.000 0.464 371 F N -1.544 118.260 119.950 -0.243 0.000 2.685 371 F HA 0.867 5.394 4.527 0.000 0.000 0.315 371 F C -2.261 173.211 175.800 -0.546 0.000 1.126 371 F CA -1.515 56.196 58.000 -0.481 0.000 0.950 371 F CB 0.724 38.948 39.000 -1.293 0.000 1.360 371 F HN 0.594 nan 8.300 nan 0.000 0.469 372 Y N 1.241 121.535 120.300 -0.011 0.000 2.364 372 Y HA 0.645 5.195 4.550 0.000 0.000 0.340 372 Y C -0.377 175.612 175.900 0.148 0.000 0.975 372 Y CA -0.925 57.164 58.100 -0.018 0.000 1.089 372 Y CB 2.095 40.499 38.460 -0.095 0.000 1.192 372 Y HN 0.741 nan 8.280 nan 0.000 0.454 373 K N 3.571 124.124 120.400 0.254 0.000 2.525 373 K HA 0.569 4.889 4.320 0.000 0.000 0.254 373 K C -1.683 175.040 176.600 0.205 0.000 0.934 373 K CA -0.541 55.877 56.287 0.220 0.000 0.802 373 K CB 1.548 34.121 32.500 0.121 0.000 1.295 373 K HN 0.733 nan 8.250 nan 0.000 0.433 374 I N 6.341 127.003 120.570 0.153 0.000 2.496 374 I HA 0.270 4.440 4.170 0.000 0.000 0.285 374 I C 0.358 176.570 176.117 0.158 0.000 1.080 374 I CA -0.366 61.018 61.300 0.140 0.000 1.404 374 I CB 0.340 38.388 38.000 0.080 0.000 1.403 374 I HN 0.542 nan 8.210 nan 0.000 0.539 375 I N 1.174 121.880 120.570 0.227 0.000 3.279 375 I HA 0.524 4.694 4.170 0.000 0.000 0.315 375 I C -0.613 175.629 176.117 0.207 0.000 1.187 375 I CA -0.877 60.551 61.300 0.213 0.000 0.953 375 I CB 2.172 40.337 38.000 0.276 0.000 1.279 375 I HN 0.261 nan 8.210 nan 0.000 0.465 376 S N 2.518 118.285 115.700 0.112 0.000 2.537 376 S HA 0.332 4.802 4.470 0.000 0.000 0.275 376 S C 0.028 174.650 174.600 0.036 0.000 1.272 376 S CA -0.640 57.566 58.200 0.010 0.000 1.050 376 S CB 0.401 63.549 63.200 -0.087 0.000 0.961 376 S HN 0.551 nan 8.310 nan 0.000 0.496 377 N N 2.135 120.750 118.700 -0.141 0.000 2.229 377 N HA 0.050 4.790 4.740 0.000 0.000 0.242 377 N C 0.932 176.375 175.510 -0.111 0.000 1.327 377 N CA -0.135 52.727 53.050 -0.313 0.000 0.896 377 N CB 0.143 38.389 38.487 -0.401 0.000 1.129 377 N HN 0.543 nan 8.380 nan 0.000 0.490 378 E N 0.197 120.327 120.200 -0.116 0.000 2.435 378 E HA -0.041 4.309 4.350 0.000 0.000 0.195 378 E C 0.600 177.164 176.600 -0.060 0.000 1.029 378 E CA 0.514 56.882 56.400 -0.053 0.000 0.865 378 E CB 0.037 29.712 29.700 -0.042 0.000 0.833 378 E HN 0.582 nan 8.360 nan 0.000 0.510 379 E N -0.464 119.687 120.200 -0.081 0.000 2.465 379 E HA 0.104 4.454 4.350 0.000 0.000 0.195 379 E C 0.621 177.272 176.600 0.084 0.000 1.028 379 E CA 0.387 56.777 56.400 -0.018 0.000 0.899 379 E CB -0.052 29.603 29.700 -0.074 0.000 1.032 379 E HN 0.256 nan 8.360 nan 0.000 0.468 380 G N 0.662 109.452 108.800 -0.016 0.000 2.184 380 G HA2 -0.310 3.650 3.960 0.000 0.000 0.264 380 G HA3 -0.310 3.650 3.960 0.000 0.000 0.264 380 G C -0.300 174.488 174.900 -0.186 0.000 0.975 380 G CA 0.649 45.678 45.100 -0.119 0.000 0.642 380 G HN 0.293 nan 8.290 nan 0.000 0.536 381 Y N 0.928 121.107 120.300 -0.201 0.000 2.323 381 Y HA 0.537 5.087 4.550 0.000 0.000 0.331 381 Y C 1.005 176.767 175.900 -0.230 0.000 1.092 381 Y CA -0.800 57.173 58.100 -0.210 0.000 1.150 381 Y CB 1.061 39.423 38.460 -0.163 0.000 1.200 381 Y HN 0.002 nan 8.280 nan 0.000 0.472 382 K N 4.641 124.920 120.400 -0.201 0.000 2.349 382 K HA 0.211 4.531 4.320 0.000 0.000 0.289 382 K C -0.684 175.649 176.600 -0.444 0.000 1.064 382 K CA -0.041 56.120 56.287 -0.211 0.000 0.947 382 K CB 0.166 32.571 32.500 -0.159 0.000 1.007 382 K HN 0.663 nan 8.250 nan 0.000 0.478 383 H N 1.424 120.439 119.070 -0.091 0.000 2.949 383 H HA 0.334 4.890 4.556 0.000 0.000 0.356 383 H C -0.190 175.214 175.328 0.126 0.000 1.212 383 H CA -0.981 55.002 56.048 -0.109 0.000 1.136 383 H CB 1.531 31.104 29.762 -0.316 0.000 1.869 383 H HN 0.324 nan 8.280 nan 0.000 0.556 384 I N 1.627 122.291 120.570 0.156 0.000 2.363 384 I HA 0.013 4.183 4.170 0.000 0.000 0.292 384 I C 0.309 176.485 176.117 0.098 0.000 1.075 384 I CA 0.133 61.486 61.300 0.088 0.000 1.333 384 I CB 0.124 38.071 38.000 -0.087 0.000 1.415 384 I HN 0.145 nan 8.210 nan 0.000 0.502 385 c N 6.866 125.458 118.600 -0.014 0.000 2.329 385 c HA 0.277 4.847 4.570 0.000 0.000 0.329 385 c C 0.258 174.166 174.090 -0.304 0.000 1.275 385 c CA -0.457 55.603 56.329 -0.447 0.000 1.726 385 c CB 0.231 42.177 42.510 -0.939 0.000 2.291 385 c HN 0.756 nan 8.230 nan 0.000 0.514 386 H N 4.544 123.277 119.070 -0.562 0.000 2.782 386 H HA 0.443 4.999 4.556 0.000 0.000 0.285 386 H C -1.029 173.819 175.328 -0.801 0.000 1.093 386 H CA -0.392 55.256 56.048 -0.666 0.000 1.410 386 H CB 0.270 29.758 29.762 -0.456 0.000 1.439 386 H HN 0.587 nan 8.280 nan 0.000 0.469 387 F N 2.695 122.216 119.950 -0.714 0.000 2.425 387 F HA 0.175 4.702 4.527 0.000 0.000 0.331 387 F C 0.271 175.691 175.800 -0.633 0.000 1.085 387 F CA -0.846 56.636 58.000 -0.863 0.000 1.028 387 F CB 1.641 39.661 39.000 -1.633 0.000 1.177 387 F HN 0.534 nan 8.300 nan 0.000 0.487 388 Q N 0.623 120.316 119.800 -0.179 0.000 2.256 388 Q HA 0.273 4.613 4.340 0.000 0.000 0.254 388 Q C 0.887 176.984 176.000 0.162 0.000 0.916 388 Q CA 0.075 55.862 55.803 -0.025 0.000 0.932 388 Q CB 1.599 30.321 28.738 -0.026 0.000 1.207 388 Q HN 0.770 nan 8.270 nan 0.000 0.426 389 T N 2.143 116.856 114.554 0.266 0.000 2.760 389 T HA -0.203 4.147 4.350 0.000 0.000 0.269 389 T C 0.175 175.145 174.700 0.451 0.000 1.047 389 T CA 1.933 64.302 62.100 0.448 0.000 1.139 389 T CB -0.111 69.018 68.868 0.435 0.000 0.855 389 T HN 0.785 nan 8.240 nan 0.000 0.471 390 D N -0.699 119.881 120.400 0.300 0.000 2.501 390 D HA 0.158 4.798 4.640 0.000 0.000 0.224 390 D C 0.165 176.554 176.300 0.148 0.000 1.202 390 D CA -0.353 53.779 54.000 0.220 0.000 0.829 390 D CB 0.330 41.214 40.800 0.140 0.000 1.023 390 D HN 0.037 nan 8.370 nan 0.000 0.499 391 K N -0.061 120.453 120.400 0.190 0.000 2.328 391 K HA 0.374 4.694 4.320 0.000 0.000 0.246 391 K C 0.499 177.179 176.600 0.133 0.000 0.955 391 K CA -0.530 55.811 56.287 0.090 0.000 0.817 391 K CB 1.903 34.419 32.500 0.027 0.000 1.208 391 K HN 0.009 nan 8.250 nan 0.000 0.432 392 S N -0.370 115.349 115.700 0.031 0.000 2.535 392 S HA -0.027 4.443 4.470 0.000 0.000 0.214 392 S C 0.222 174.849 174.600 0.045 0.000 0.980 392 S CA -0.240 57.988 58.200 0.046 0.000 0.907 392 S CB -0.513 62.667 63.200 -0.033 0.000 0.790 392 S HN 0.679 nan 8.310 nan 0.000 0.510 393 N N 0.877 119.544 118.700 -0.055 0.000 2.456 393 N HA 0.621 5.361 4.740 0.000 0.000 0.296 393 N C -0.380 174.907 175.510 -0.372 0.000 1.102 393 N CA -0.696 52.248 53.050 -0.176 0.000 0.924 393 N CB 1.435 39.833 38.487 -0.149 0.000 1.186 393 N HN 0.403 nan 8.380 nan 0.000 0.492 394 c N -1.157 117.074 118.600 -0.615 0.000 2.889 394 c HA 0.758 5.328 4.570 0.000 0.000 0.307 394 c C -0.380 173.285 174.090 -0.709 0.000 1.251 394 c CA -0.688 55.079 56.329 -0.936 0.000 1.593 394 c CB 1.157 42.440 42.510 -2.044 0.000 2.104 394 c HN 0.718 nan 8.230 nan 0.000 0.476 395 T N 2.155 116.349 114.554 -0.601 0.000 2.770 395 T HA 0.507 4.857 4.350 0.000 0.000 0.283 395 T C -0.690 173.809 174.700 -0.334 0.000 0.988 395 T CA 0.133 62.024 62.100 -0.348 0.000 0.957 395 T CB 0.208 68.998 68.868 -0.131 0.000 0.930 395 T HN 0.475 nan 8.240 nan 0.000 0.443 396 F N 3.918 123.772 119.950 -0.159 0.000 2.543 396 F HA 0.202 4.729 4.527 0.000 0.000 0.375 396 F C 1.642 177.344 175.800 -0.163 0.000 1.075 396 F CA -0.785 57.115 58.000 -0.167 0.000 1.225 396 F CB 0.280 39.172 39.000 -0.180 0.000 1.099 396 F HN 0.562 nan 8.300 nan 0.000 0.561 397 I N 0.055 120.551 120.570 -0.123 0.000 3.883 397 I HA 0.227 4.397 4.170 0.000 0.000 0.326 397 I C 0.112 176.113 176.117 -0.192 0.000 1.283 397 I CA 0.155 61.181 61.300 -0.457 0.000 1.161 397 I CB -0.146 37.252 38.000 -1.003 0.000 1.012 397 I HN 0.493 nan 8.210 nan 0.000 0.421 398 T N -0.026 114.466 114.554 -0.104 0.000 2.923 398 T HA 0.660 5.010 4.350 0.000 0.000 0.311 398 T C -0.858 173.536 174.700 -0.510 0.000 1.183 398 T CA -0.717 61.300 62.100 -0.139 0.000 1.020 398 T CB 2.792 71.617 68.868 -0.072 0.000 1.165 398 T HN 0.333 nan 8.240 nan 0.000 0.482 399 K N 0.554 120.534 120.400 -0.700 0.000 2.578 399 K HA 0.871 5.191 4.320 0.000 0.000 0.287 399 K C -0.241 175.779 176.600 -0.967 0.000 1.010 399 K CA -0.506 55.037 56.287 -1.240 0.000 0.889 399 K CB 1.383 33.486 32.500 -0.661 0.000 1.514 399 K HN 1.906 nan 8.250 nan 0.000 0.424 400 G N -0.896 107.328 108.800 -0.960 0.000 2.340 400 G HA2 0.380 4.340 3.960 0.000 0.000 0.527 400 G HA3 0.380 4.340 3.960 0.000 0.000 0.527 400 G C -1.262 173.182 174.900 -0.759 0.000 1.381 400 G CA -0.333 44.402 45.100 -0.610 0.000 1.001 400 G HN 0.933 nan 8.290 nan 0.000 0.626 401 A N 1.266 123.807 122.820 -0.465 0.000 3.063 401 A HA 0.625 4.945 4.320 0.000 0.000 0.263 401 A C 0.314 177.978 177.584 0.134 0.000 1.736 401 A CA 0.827 52.479 52.037 -0.641 0.000 1.408 401 A CB -1.248 17.590 19.000 -0.269 0.000 1.108 401 A HN 1.883 nan 8.150 nan 0.000 0.621 402 W N -0.611 120.767 121.300 0.129 0.000 2.929 402 W HA 0.530 5.190 4.660 0.000 0.000 0.363 402 W C -1.200 175.384 176.519 0.109 0.000 1.168 402 W CA -0.756 56.711 57.345 0.203 0.000 1.163 402 W CB 0.151 29.665 29.460 0.091 0.000 1.455 402 W HN 0.307 nan 8.180 nan 0.000 0.568 403 E N 0.535 120.932 120.200 0.328 0.000 2.378 403 E HA 0.575 4.925 4.350 0.000 0.000 0.265 403 E C -1.237 175.471 176.600 0.180 0.000 0.932 403 E CA -1.211 55.144 56.400 -0.076 0.000 0.795 403 E CB 3.091 32.773 29.700 -0.031 0.000 1.296 403 E HN 0.167 nan 8.360 nan 0.000 0.438 404 V N 2.462 122.343 119.914 -0.055 0.000 2.439 404 V HA 0.084 4.204 4.120 0.000 0.000 0.282 404 V C 1.025 177.202 176.094 0.138 0.000 1.039 404 V CA -0.386 61.979 62.300 0.108 0.000 0.913 404 V CB 1.100 32.868 31.823 -0.092 0.000 0.983 404 V HN 0.661 nan 8.190 nan 0.000 0.460 405 I N 2.714 123.411 120.570 0.212 0.000 2.406 405 I HA 0.255 4.425 4.170 0.000 0.000 0.249 405 I C 1.111 177.351 176.117 0.204 0.000 1.122 405 I CA 1.230 62.664 61.300 0.223 0.000 1.431 405 I CB -0.819 37.280 38.000 0.166 0.000 1.087 405 I HN 0.797 nan 8.210 nan 0.000 0.424 406 G N 0.396 109.310 108.800 0.191 0.000 2.387 406 G HA2 0.466 4.426 3.960 0.000 0.000 0.294 406 G HA3 0.466 4.426 3.960 0.000 0.000 0.294 406 G C -1.403 173.572 174.900 0.125 0.000 1.509 406 G CA -0.673 44.521 45.100 0.157 0.000 0.806 406 G HN -0.047 nan 8.290 nan 0.000 0.546 407 I N 1.535 122.078 120.570 -0.045 0.000 2.325 407 I HA 0.267 4.437 4.170 0.000 0.000 0.291 407 I C 1.039 177.106 176.117 -0.085 0.000 1.019 407 I CA -0.529 60.650 61.300 -0.202 0.000 1.302 407 I CB 1.731 39.269 38.000 -0.770 0.000 1.401 407 I HN 0.513 nan 8.210 nan 0.000 0.485 408 E N 4.661 124.888 120.200 0.046 0.000 2.057 408 E HA 0.239 4.589 4.350 0.000 0.000 0.190 408 E C 0.281 176.866 176.600 -0.026 0.000 0.969 408 E CA 0.502 56.965 56.400 0.105 0.000 0.812 408 E CB 0.484 30.309 29.700 0.209 0.000 0.777 408 E HN 0.699 nan 8.360 nan 0.000 0.455 409 A N 0.397 123.074 122.820 -0.239 0.000 2.556 409 A HA 0.655 4.975 4.320 0.000 0.000 0.294 409 A C -1.713 175.817 177.584 -0.091 0.000 1.091 409 A CA -0.566 51.280 52.037 -0.319 0.000 0.704 409 A CB 1.590 19.914 19.000 -1.126 0.000 1.300 409 A HN 0.074 nan 8.150 nan 0.000 0.406 410 L N 1.203 122.413 121.223 -0.022 0.000 2.516 410 L HA 0.704 5.044 4.340 0.000 0.000 0.267 410 L C 0.152 177.051 176.870 0.050 0.000 0.957 410 L CA 0.407 55.247 54.840 0.001 0.000 0.860 410 L CB 1.945 44.005 42.059 0.001 0.000 1.265 410 L HN 1.144 nan 8.230 nan 0.000 0.403 411 T N -0.141 114.454 114.554 0.069 0.000 2.819 411 T HA 0.453 4.803 4.350 0.000 0.000 0.271 411 T C 1.035 175.772 174.700 0.063 0.000 0.986 411 T CA 0.166 62.324 62.100 0.097 0.000 0.989 411 T CB 0.980 69.948 68.868 0.166 0.000 1.396 411 T HN 0.652 nan 8.240 nan 0.000 0.597 412 S N -0.412 115.330 115.700 0.070 0.000 2.461 412 S HA -0.002 4.468 4.470 0.000 0.000 0.228 412 S C 0.882 175.479 174.600 -0.005 0.000 1.005 412 S CA 0.649 58.878 58.200 0.049 0.000 0.942 412 S CB -0.424 62.811 63.200 0.058 0.000 0.776 412 S HN 0.746 nan 8.310 nan 0.000 0.514 413 D N -0.513 119.864 120.400 -0.038 0.000 2.615 413 D HA 0.172 4.812 4.640 0.000 0.000 0.259 413 D C -0.204 175.858 176.300 -0.397 0.000 0.999 413 D CA 0.495 54.352 54.000 -0.239 0.000 0.938 413 D CB 0.052 40.646 40.800 -0.343 0.000 1.121 413 D HN 0.397 nan 8.370 nan 0.000 0.487 414 Y N 0.326 120.562 120.300 -0.106 0.000 2.567 414 Y HA 0.582 5.132 4.550 0.000 0.000 0.333 414 Y C -0.160 175.558 175.900 -0.304 0.000 1.106 414 Y CA -1.027 56.925 58.100 -0.246 0.000 1.157 414 Y CB 2.167 40.385 38.460 -0.403 0.000 1.277 414 Y HN -0.199 nan 8.280 nan 0.000 0.490 415 L N 1.956 123.040 121.223 -0.230 0.000 2.439 415 L HA 0.537 4.877 4.340 0.000 0.000 0.270 415 L C -1.987 174.729 176.870 -0.256 0.000 0.972 415 L CA -0.562 54.130 54.840 -0.247 0.000 0.836 415 L CB 0.905 42.744 42.059 -0.367 0.000 1.255 415 L HN 0.574 nan 8.230 nan 0.000 0.404 416 Y N 4.610 124.804 120.300 -0.178 0.000 2.334 416 Y HA 0.608 5.158 4.550 0.000 0.000 0.328 416 Y C -0.282 175.587 175.900 -0.051 0.000 1.130 416 Y CA -0.322 57.661 58.100 -0.195 0.000 1.163 416 Y CB 1.313 39.508 38.460 -0.441 0.000 1.207 416 Y HN 0.543 nan 8.280 nan 0.000 0.471 417 Y N 0.065 120.424 120.300 0.100 0.000 2.670 417 Y HA 0.763 5.313 4.550 0.000 0.000 0.334 417 Y C -2.028 173.967 175.900 0.159 0.000 1.185 417 Y CA -1.885 56.267 58.100 0.086 0.000 1.053 417 Y CB 1.089 39.566 38.460 0.029 0.000 1.298 417 Y HN 0.319 nan 8.280 nan 0.000 0.459 418 I N 3.232 123.992 120.570 0.316 0.000 2.378 418 I HA 0.603 4.773 4.170 0.000 0.000 0.291 418 I C -0.325 175.997 176.117 0.340 0.000 0.992 418 I CA -0.300 61.140 61.300 0.234 0.000 1.154 418 I CB 1.458 39.561 38.000 0.171 0.000 1.315 418 I HN 0.888 nan 8.210 nan 0.000 0.448 419 S N 4.254 120.112 115.700 0.264 0.000 2.685 419 S HA 0.493 4.963 4.470 0.000 0.000 0.282 419 S C -0.456 174.192 174.600 0.081 0.000 1.159 419 S CA -0.799 57.538 58.200 0.227 0.000 0.833 419 S CB 2.089 65.478 63.200 0.316 0.000 1.151 419 S HN 0.593 nan 8.310 nan 0.000 0.485 420 N N -0.369 118.382 118.700 0.085 0.000 2.538 420 N HA 0.145 4.885 4.740 0.000 0.000 0.291 420 N C 0.344 175.817 175.510 -0.061 0.000 1.323 420 N CA -0.305 52.753 53.050 0.013 0.000 0.934 420 N CB 0.396 38.895 38.487 0.020 0.000 1.255 420 N HN 0.873 nan 8.380 nan 0.000 0.509 421 E N -0.093 119.878 120.200 -0.381 0.000 2.158 421 E HA -0.178 4.172 4.350 0.000 0.000 0.191 421 E C -0.113 176.313 176.600 -0.290 0.000 0.982 421 E CA 0.125 56.042 56.400 -0.804 0.000 0.823 421 E CB -0.147 28.355 29.700 -1.997 0.000 0.766 421 E HN 0.470 nan 8.360 nan 0.000 0.468 422 H N 1.302 120.275 119.070 -0.161 0.000 3.070 422 H HA 0.023 4.579 4.556 0.000 0.000 0.313 422 H C -0.046 175.264 175.328 -0.030 0.000 0.997 422 H CA 1.085 57.106 56.048 -0.044 0.000 1.438 422 H CB 0.367 30.136 29.762 0.012 0.000 1.455 422 H HN 0.108 nan 8.280 nan 0.000 0.575 423 K N 3.022 123.174 120.400 -0.412 0.000 3.048 423 K HA -0.210 4.110 4.320 0.000 0.000 0.274 423 K C 0.952 177.527 176.600 -0.042 0.000 1.098 423 K CA 1.044 57.169 56.287 -0.271 0.000 0.807 423 K CB -1.432 30.872 32.500 -0.326 0.000 1.217 423 K HN 1.111 nan 8.250 nan 0.000 0.477 424 G N 0.018 108.810 108.800 -0.014 0.000 2.337 424 G HA2 -0.352 3.608 3.960 0.000 0.000 0.290 424 G HA3 -0.352 3.608 3.960 0.000 0.000 0.290 424 G C 0.079 175.051 174.900 0.121 0.000 1.003 424 G CA 0.859 46.016 45.100 0.094 0.000 0.825 424 G HN 0.359 nan 8.290 nan 0.000 0.509 425 M N 1.029 120.603 119.600 -0.042 0.000 2.261 425 M HA 0.175 4.655 4.480 0.000 0.000 0.349 425 M C -0.570 175.532 176.300 -0.330 0.000 1.305 425 M CA -1.931 53.174 55.300 -0.326 0.000 1.240 425 M CB 1.287 33.708 32.600 -0.298 0.000 1.394 425 M HN -0.041 nan 8.290 nan 0.000 0.438 426 P HA -0.154 nan 4.420 nan 0.000 0.217 426 P C 1.007 178.184 177.300 -0.206 0.000 1.148 426 P CA 1.492 64.475 63.100 -0.195 0.000 0.828 426 P CB 0.036 31.636 31.700 -0.167 0.000 0.783 427 G N -0.575 108.013 108.800 -0.353 0.000 3.262 427 G HA2 0.310 4.270 3.960 0.000 0.000 0.228 427 G HA3 0.310 4.270 3.960 0.000 0.000 0.228 427 G C 0.646 175.518 174.900 -0.047 0.000 1.197 427 G CA 0.132 45.138 45.100 -0.157 0.000 0.819 427 G HN 0.470 nan 8.290 nan 0.000 0.531 428 G N -0.291 108.426 108.800 -0.139 0.000 2.489 428 G HA2 0.676 4.636 3.960 0.000 0.000 0.327 428 G HA3 0.676 4.636 3.960 0.000 0.000 0.327 428 G C -0.903 173.838 174.900 -0.265 0.000 1.189 428 G CA -0.805 44.236 45.100 -0.099 0.000 0.962 428 G HN 0.093 nan 8.290 nan 0.000 0.486 429 R N 0.913 121.236 120.500 -0.295 0.000 2.564 429 R HA 0.463 4.803 4.340 0.000 0.000 0.284 429 R C -1.350 174.952 176.300 0.004 0.000 1.031 429 R CA -0.842 55.100 56.100 -0.263 0.000 0.904 429 R CB 2.138 32.069 30.300 -0.616 0.000 1.199 429 R HN 0.586 nan 8.270 nan 0.000 0.443 430 N N 1.437 120.161 118.700 0.041 0.000 2.329 430 N HA 0.329 5.069 4.740 0.000 0.000 0.282 430 N C -1.390 174.073 175.510 -0.079 0.000 1.198 430 N CA -0.779 52.227 53.050 -0.075 0.000 0.790 430 N CB 2.735 41.105 38.487 -0.194 0.000 1.579 430 N HN 0.296 nan 8.380 nan 0.000 0.475 431 L N 2.379 123.406 121.223 -0.326 0.000 2.276 431 L HA 0.492 4.832 4.340 0.000 0.000 0.286 431 L C -1.402 175.189 176.870 -0.466 0.000 1.061 431 L CA 0.032 54.714 54.840 -0.265 0.000 0.807 431 L CB -0.158 41.736 42.059 -0.276 0.000 1.177 431 L HN 0.397 nan 8.230 nan 0.000 0.429 432 Y N 4.152 124.121 120.300 -0.552 0.000 2.598 432 Y HA 0.695 5.245 4.550 0.000 0.000 0.340 432 Y C -0.119 175.455 175.900 -0.545 0.000 1.038 432 Y CA -0.864 56.859 58.100 -0.628 0.000 1.100 432 Y CB 1.535 39.439 38.460 -0.926 0.000 1.281 432 Y HN 0.521 nan 8.280 nan 0.000 0.488 433 R N 2.308 122.675 120.500 -0.223 0.000 2.538 433 R HA 0.614 4.954 4.340 0.000 0.000 0.292 433 R C -1.984 174.277 176.300 -0.066 0.000 1.008 433 R CA -0.565 55.349 56.100 -0.310 0.000 0.896 433 R CB 1.505 31.504 30.300 -0.501 0.000 1.187 433 R HN 0.875 nan 8.270 nan 0.000 0.440 434 I N 2.819 123.393 120.570 0.008 0.000 2.530 434 I HA 0.287 4.457 4.170 0.000 0.000 0.297 434 I C -0.569 175.593 176.117 0.073 0.000 1.011 434 I CA -0.749 60.616 61.300 0.108 0.000 1.107 434 I CB 2.039 40.130 38.000 0.151 0.000 1.285 434 I HN 0.638 nan 8.210 nan 0.000 0.436 435 Q N 5.282 125.132 119.800 0.084 0.000 2.293 435 Q HA 0.135 4.475 4.340 0.000 0.000 0.263 435 Q C 0.489 176.506 176.000 0.029 0.000 1.002 435 Q CA -0.539 55.220 55.803 -0.073 0.000 0.910 435 Q CB 1.531 30.224 28.738 -0.075 0.000 1.185 435 Q HN 0.640 nan 8.270 nan 0.000 0.401 436 L N 3.058 124.244 121.223 -0.061 0.000 2.191 436 L HA -0.223 4.117 4.340 0.000 0.000 0.212 436 L C 1.542 178.522 176.870 0.184 0.000 1.103 436 L CA 1.637 56.546 54.840 0.114 0.000 0.769 436 L CB -0.680 41.377 42.059 -0.004 0.000 0.908 436 L HN 0.669 nan 8.230 nan 0.000 0.438 437 N N -1.951 116.750 118.700 0.002 0.000 2.314 437 N HA 0.054 4.794 4.740 0.000 0.000 0.200 437 N C -0.564 174.882 175.510 -0.107 0.000 1.135 437 N CA 0.115 53.133 53.050 -0.054 0.000 0.835 437 N CB 0.141 38.585 38.487 -0.071 0.000 0.989 437 N HN 0.162 nan 8.380 nan 0.000 0.478 438 D N -0.490 119.872 120.400 -0.063 0.000 2.329 438 D HA 0.008 4.648 4.640 0.000 0.000 0.217 438 D C -0.881 175.493 176.300 0.123 0.000 1.317 438 D CA -0.494 53.464 54.000 -0.071 0.000 0.928 438 D CB -0.441 40.335 40.800 -0.040 0.000 1.544 438 D HN -0.029 nan 8.370 nan 0.000 0.499 439 Y N 1.380 121.692 120.300 0.020 0.000 2.665 439 Y HA 0.091 4.641 4.550 0.000 0.000 0.320 439 Y C 2.097 178.024 175.900 0.046 0.000 1.204 439 Y CA 0.412 58.536 58.100 0.040 0.000 1.315 439 Y CB -0.788 37.699 38.460 0.044 0.000 1.033 439 Y HN 0.290 nan 8.280 nan 0.000 0.509 440 T N -1.092 113.559 114.554 0.161 0.000 3.033 440 T HA 0.024 4.374 4.350 0.000 0.000 0.248 440 T C 0.960 175.723 174.700 0.105 0.000 1.040 440 T CA 0.251 62.416 62.100 0.108 0.000 1.133 440 T CB 0.135 69.036 68.868 0.055 0.000 0.895 440 T HN 0.040 nan 8.240 nan 0.000 0.465 441 K N 3.218 123.678 120.400 0.100 0.000 2.142 441 K HA 0.368 4.688 4.320 0.000 0.000 0.250 441 K C -0.820 175.852 176.600 0.121 0.000 1.148 441 K CA 0.011 56.355 56.287 0.095 0.000 1.040 441 K CB 0.367 32.913 32.500 0.076 0.000 1.569 441 K HN 0.151 nan 8.250 nan 0.000 0.361 442 V N 1.380 121.370 119.914 0.128 0.000 2.713 442 V HA 0.419 4.539 4.120 0.000 0.000 0.307 442 V C 0.337 176.493 176.094 0.104 0.000 1.052 442 V CA -0.610 61.779 62.300 0.149 0.000 0.967 442 V CB 1.962 33.909 31.823 0.206 0.000 1.019 442 V HN 0.527 nan 8.190 nan 0.000 0.459 443 T N 1.454 116.047 114.554 0.065 0.000 2.952 443 T HA 0.229 4.579 4.350 0.000 0.000 0.305 443 T C -0.985 173.607 174.700 -0.179 0.000 1.064 443 T CA -0.315 61.764 62.100 -0.036 0.000 1.008 443 T CB 1.436 70.262 68.868 -0.069 0.000 1.078 443 T HN 0.825 nan 8.240 nan 0.000 0.459 444 C N 5.656 124.757 119.300 -0.331 0.000 2.200 444 C HA 0.439 4.899 4.460 0.000 0.000 0.328 444 C C 1.767 176.433 174.990 -0.541 0.000 1.148 444 C CA -0.661 57.899 59.018 -0.764 0.000 1.624 444 C CB -2.162 25.000 27.740 -0.964 0.000 2.167 444 C HN 0.970 nan 8.230 nan 0.000 0.484 445 L N 4.293 125.219 121.223 -0.495 0.000 2.456 445 L HA 0.001 4.341 4.340 0.000 0.000 0.224 445 L C 2.122 178.737 176.870 -0.425 0.000 1.148 445 L CA 1.300 55.929 54.840 -0.352 0.000 0.825 445 L CB -0.385 41.501 42.059 -0.288 0.000 0.937 445 L HN 0.886 nan 8.230 nan 0.000 0.450 446 S N -3.408 111.925 115.700 -0.611 0.000 2.670 446 S HA -0.026 4.444 4.470 0.000 0.000 0.241 446 S C 1.910 176.161 174.600 -0.583 0.000 1.077 446 S CA 0.091 57.839 58.200 -0.752 0.000 0.899 446 S CB -0.325 62.053 63.200 -1.369 0.000 0.835 446 S HN 0.308 nan 8.310 nan 0.000 0.481 447 C N 2.258 121.186 119.300 -0.620 0.000 2.366 447 C HA -0.131 4.329 4.460 0.000 0.000 0.271 447 C C 2.411 177.224 174.990 -0.295 0.000 1.152 447 C CA 1.819 60.474 59.018 -0.605 0.000 1.809 447 C CB -1.158 26.044 27.740 -0.897 0.000 2.107 447 C HN 0.611 nan 8.230 nan 0.000 0.455 448 E N -0.271 119.795 120.200 -0.223 0.000 2.481 448 E HA 0.204 4.554 4.350 0.000 0.000 0.198 448 E C 1.821 178.393 176.600 -0.047 0.000 1.027 448 E CA -0.077 56.267 56.400 -0.094 0.000 0.900 448 E CB -0.187 29.465 29.700 -0.080 0.000 0.993 448 E HN 0.575 nan 8.360 nan 0.000 0.482 449 L N -0.095 121.098 121.223 -0.051 0.000 1.994 449 L HA -0.122 4.218 4.340 0.000 0.000 0.208 449 L C 0.072 176.966 176.870 0.039 0.000 1.071 449 L CA 1.228 56.075 54.840 0.012 0.000 0.745 449 L CB -0.167 41.919 42.059 0.045 0.000 0.892 449 L HN 0.088 nan 8.230 nan 0.000 0.431 450 N N -1.856 116.885 118.700 0.069 0.000 2.666 450 N HA 0.094 4.834 4.740 0.000 0.000 0.253 450 N C -2.072 173.473 175.510 0.058 0.000 1.621 450 N CA -0.651 52.426 53.050 0.045 0.000 0.785 450 N CB 0.767 39.268 38.487 0.024 0.000 1.332 450 N HN -0.060 nan 8.380 nan 0.000 0.514 451 P HA -0.260 nan 4.420 nan 0.000 0.218 451 P C 0.518 177.861 177.300 0.072 0.000 1.152 451 P CA 1.587 64.740 63.100 0.087 0.000 0.857 451 P CB 0.555 32.305 31.700 0.084 0.000 0.787 452 E N -0.700 119.524 120.200 0.040 0.000 2.170 452 E HA -0.076 4.274 4.350 0.000 0.000 0.191 452 E C 2.295 178.901 176.600 0.009 0.000 0.981 452 E CA 0.602 57.017 56.400 0.025 0.000 0.830 452 E CB -0.267 29.440 29.700 0.011 0.000 0.775 452 E HN 0.382 nan 8.360 nan 0.000 0.470 453 R N -0.149 120.346 120.500 -0.008 0.000 2.175 453 R HA 0.091 4.431 4.340 0.000 0.000 0.202 453 R C 0.062 176.321 176.300 -0.067 0.000 1.018 453 R CA 0.519 56.592 56.100 -0.045 0.000 1.029 453 R CB 0.432 30.689 30.300 -0.071 0.000 0.959 453 R HN -0.019 nan 8.270 nan 0.000 0.480 454 c N 1.496 120.066 118.600 -0.049 0.000 2.291 454 c HA 0.438 5.008 4.570 0.000 0.000 0.322 454 c C 0.012 174.137 174.090 0.058 0.000 1.205 454 c CA -0.663 55.583 56.329 -0.137 0.000 1.495 454 c CB 1.161 43.494 42.510 -0.296 0.000 2.127 454 c HN 0.543 nan 8.230 nan 0.000 0.452 455 Q N 0.310 120.149 119.800 0.066 0.000 2.113 455 Q HA 0.201 4.541 4.340 0.000 0.000 0.225 455 Q C -0.905 175.229 176.000 0.223 0.000 0.786 455 Q CA 0.113 56.028 55.803 0.186 0.000 0.989 455 Q CB 1.234 30.060 28.738 0.147 0.000 1.174 455 Q HN 0.794 nan 8.270 nan 0.000 0.470 456 Y N 0.441 120.751 120.300 0.018 0.000 2.349 456 Y HA 0.402 4.952 4.550 -0.000 0.000 0.324 456 Y C -1.554 174.358 175.900 0.020 0.000 1.005 456 Y CA -1.091 57.055 58.100 0.076 0.000 1.240 456 Y CB 0.789 39.295 38.460 0.076 0.000 1.117 456 Y HN -0.094 nan 8.280 nan 0.000 0.463 457 Y N 1.749 122.111 120.300 0.103 0.000 2.602 457 Y HA 0.723 5.273 4.550 0.000 0.000 0.342 457 Y C 0.044 176.025 175.900 0.136 0.000 1.029 457 Y CA -0.725 57.413 58.100 0.064 0.000 1.080 457 Y CB 2.370 40.791 38.460 -0.066 0.000 1.284 457 Y HN 0.475 nan 8.280 nan 0.000 0.485 458 S N 0.490 116.394 115.700 0.340 0.000 2.651 458 S HA 0.991 5.461 4.470 0.000 0.000 0.279 458 S C -1.344 173.389 174.600 0.221 0.000 1.148 458 S CA -0.470 57.916 58.200 0.311 0.000 0.837 458 S CB 2.058 65.530 63.200 0.454 0.000 1.138 458 S HN 1.183 nan 8.310 nan 0.000 0.478 459 A N 0.346 123.296 122.820 0.217 0.000 2.587 459 A HA 0.889 5.209 4.320 0.000 0.000 0.293 459 A C -0.801 176.912 177.584 0.215 0.000 1.087 459 A CA -0.619 51.513 52.037 0.157 0.000 0.692 459 A CB 1.538 20.578 19.000 0.067 0.000 1.291 459 A HN 1.402 nan 8.150 nan 0.000 0.407 460 S N 0.173 115.964 115.700 0.151 0.000 2.647 460 S HA 0.731 5.201 4.470 0.000 0.000 0.300 460 S C -1.599 173.157 174.600 0.261 0.000 1.129 460 S CA -0.320 58.063 58.200 0.306 0.000 1.029 460 S CB 0.043 63.443 63.200 0.333 0.000 1.007 460 S HN 0.469 nan 8.310 nan 0.000 0.484 461 F N 3.087 123.170 119.950 0.222 0.000 2.422 461 F HA 0.473 5.000 4.527 0.000 0.000 0.333 461 F C 1.219 176.757 175.800 -0.438 0.000 1.095 461 F CA -0.458 57.522 58.000 -0.034 0.000 1.038 461 F CB 1.716 40.642 39.000 -0.122 0.000 1.156 461 F HN 0.627 nan 8.300 nan 0.000 0.483 462 S N 1.599 116.792 115.700 -0.845 0.000 2.596 462 S HA 0.060 4.530 4.470 0.000 0.000 0.260 462 S C 1.141 175.540 174.600 -0.335 0.000 1.336 462 S CA -0.334 57.113 58.200 -1.255 0.000 0.993 462 S CB 0.299 62.734 63.200 -1.274 0.000 0.923 462 S HN 0.808 nan 8.310 nan 0.000 0.567 463 N N 0.925 119.532 118.700 -0.155 0.000 2.089 463 N HA -0.228 4.512 4.740 0.000 0.000 0.198 463 N C 1.339 176.868 175.510 0.031 0.000 1.017 463 N CA 1.810 54.869 53.050 0.015 0.000 0.880 463 N CB -0.205 38.325 38.487 0.072 0.000 1.042 463 N HN 0.684 nan 8.380 nan 0.000 0.446 464 K N -0.066 120.346 120.400 0.018 0.000 2.514 464 K HA 0.286 4.606 4.320 0.000 0.000 0.207 464 K C -0.062 176.550 176.600 0.020 0.000 1.035 464 K CA 0.386 56.696 56.287 0.038 0.000 1.113 464 K CB 0.462 32.995 32.500 0.055 0.000 0.846 464 K HN 0.192 nan 8.250 nan 0.000 0.491 465 A N 0.884 123.705 122.820 0.002 0.000 2.952 465 A HA -0.246 4.074 4.320 0.000 0.000 0.252 465 A C 1.108 178.702 177.584 0.015 0.000 1.323 465 A CA 1.479 53.537 52.037 0.036 0.000 0.957 465 A CB -2.029 16.932 19.000 -0.065 0.000 1.130 465 A HN 0.527 nan 8.150 nan 0.000 0.799 466 K N -1.803 118.553 120.400 -0.072 0.000 2.362 466 K HA 0.084 4.405 4.320 0.000 0.000 0.200 466 K C -0.258 175.994 176.600 -0.580 0.000 1.046 466 K CA 1.410 57.541 56.287 -0.261 0.000 0.952 466 K CB -0.072 32.310 32.500 -0.197 0.000 0.753 466 K HN 0.686 nan 8.250 nan 0.000 0.466 467 Y N -0.928 119.320 120.300 -0.085 0.000 2.552 467 Y HA 0.248 4.798 4.550 -0.000 0.000 0.337 467 Y C -1.223 174.617 175.900 -0.100 0.000 1.094 467 Y CA -1.423 56.631 58.100 -0.078 0.000 1.028 467 Y CB 1.598 40.001 38.460 -0.095 0.000 1.321 467 Y HN -0.029 nan 8.280 nan 0.000 0.456 468 Y N -0.252 120.013 120.300 -0.059 0.000 2.470 468 Y HA 0.556 5.106 4.550 0.000 0.000 0.341 468 Y C -1.133 174.725 175.900 -0.069 0.000 1.021 468 Y CA -1.389 56.476 58.100 -0.391 0.000 1.025 468 Y CB 1.569 39.189 38.460 -1.400 0.000 1.266 468 Y HN 0.610 nan 8.280 nan 0.000 0.448 469 Q N 4.476 124.347 119.800 0.119 0.000 2.274 469 Q HA 0.508 4.848 4.340 0.000 0.000 0.256 469 Q C -1.644 174.383 176.000 0.045 0.000 0.927 469 Q CA -0.604 55.218 55.803 0.033 0.000 0.939 469 Q CB 1.222 29.951 28.738 -0.015 0.000 1.201 469 Q HN 0.994 nan 8.270 nan 0.000 0.426 470 L N 3.738 124.979 121.223 0.031 0.000 2.322 470 L HA 0.514 4.854 4.340 0.000 0.000 0.279 470 L C -0.576 176.274 176.870 -0.034 0.000 1.036 470 L CA -0.783 54.087 54.840 0.050 0.000 0.807 470 L CB 1.375 43.443 42.059 0.015 0.000 1.226 470 L HN 0.617 nan 8.230 nan 0.000 0.433 471 R N 1.888 122.319 120.500 -0.116 0.000 2.388 471 R HA 0.283 4.623 4.340 0.000 0.000 0.314 471 R C -1.056 174.664 176.300 -0.967 0.000 0.959 471 R CA -0.292 55.402 56.100 -0.676 0.000 0.851 471 R CB 1.335 31.264 30.300 -0.620 0.000 1.168 471 R HN 0.525 nan 8.270 nan 0.000 0.472 472 c N 4.698 122.629 118.600 -1.114 0.000 2.303 472 c HA 0.445 5.015 4.570 0.000 0.000 0.341 472 c C 0.554 174.084 174.090 -0.934 0.000 1.244 472 c CA -0.413 55.255 56.329 -1.103 0.000 1.765 472 c CB -1.027 40.974 42.510 -0.848 0.000 2.379 472 c HN 0.972 nan 8.230 nan 0.000 0.530 473 F N 3.758 123.530 119.950 -0.297 0.000 2.694 473 F HA 0.404 4.931 4.527 0.000 0.000 0.292 473 F C 1.564 177.307 175.800 -0.095 0.000 1.121 473 F CA 0.633 58.539 58.000 -0.156 0.000 1.352 473 F CB 0.399 39.328 39.000 -0.117 0.000 1.107 473 F HN 0.831 nan 8.300 nan 0.000 0.597 474 G N -0.539 108.290 108.800 0.048 0.000 2.495 474 G HA2 0.254 4.214 3.960 0.000 0.000 0.294 474 G HA3 0.254 4.214 3.960 0.000 0.000 0.294 474 G C -2.523 172.389 174.900 0.020 0.000 1.397 474 G CA -0.650 44.487 45.100 0.061 0.000 0.790 474 G HN -0.341 nan 8.290 nan 0.000 0.486 475 P HA 0.119 nan 4.420 nan 0.000 0.227 475 P C 1.233 178.577 177.300 0.072 0.000 1.161 475 P CA 1.061 64.206 63.100 0.075 0.000 0.788 475 P CB 0.466 32.200 31.700 0.056 0.000 0.822 476 G N 0.600 109.374 108.800 -0.042 0.000 2.563 476 G HA2 0.356 4.316 3.960 0.000 0.000 0.283 476 G HA3 0.356 4.316 3.960 0.000 0.000 0.283 476 G C -0.206 174.482 174.900 -0.354 0.000 1.309 476 G CA -0.739 44.264 45.100 -0.162 0.000 1.022 476 G HN 0.050 nan 8.290 nan 0.000 0.501 477 L N 1.298 122.224 121.223 -0.495 0.000 2.540 477 L HA 0.087 4.427 4.340 0.000 0.000 0.276 477 L C -1.773 174.908 176.870 -0.315 0.000 1.212 477 L CA -1.080 53.404 54.840 -0.593 0.000 0.893 477 L CB 0.442 42.237 42.059 -0.441 0.000 1.138 477 L HN 0.254 nan 8.230 nan 0.000 0.491 478 P HA -0.002 nan 4.420 nan 0.000 0.264 478 P C -0.929 176.280 177.300 -0.152 0.000 1.179 478 P CA 0.122 63.134 63.100 -0.147 0.000 0.763 478 P CB 0.530 32.289 31.700 0.098 0.000 0.806 479 L N 4.534 125.558 121.223 -0.331 0.000 2.470 479 L HA 0.503 4.843 4.340 0.000 0.000 0.268 479 L C -1.885 174.775 176.870 -0.350 0.000 0.964 479 L CA -0.632 54.089 54.840 -0.200 0.000 0.839 479 L CB 1.108 43.057 42.059 -0.184 0.000 1.276 479 L HN 0.201 nan 8.230 nan 0.000 0.403 480 Y N 2.229 122.427 120.300 -0.171 0.000 2.409 480 Y HA 0.851 5.401 4.550 0.000 0.000 0.339 480 Y C 0.448 176.220 175.900 -0.213 0.000 1.033 480 Y CA -0.341 57.644 58.100 -0.192 0.000 1.094 480 Y CB 2.376 40.720 38.460 -0.193 0.000 1.210 480 Y HN 0.703 nan 8.280 nan 0.000 0.456 481 T N 0.469 115.001 114.554 -0.037 0.000 2.894 481 T HA 0.570 4.920 4.350 0.000 0.000 0.309 481 T C -1.650 173.000 174.700 -0.082 0.000 1.208 481 T CA -0.899 61.149 62.100 -0.087 0.000 1.016 481 T CB 1.373 70.248 68.868 0.010 0.000 1.192 481 T HN 0.615 nan 8.240 nan 0.000 0.491 482 L N 2.070 123.180 121.223 -0.189 0.000 2.282 482 L HA 0.580 4.920 4.340 0.000 0.000 0.288 482 L C -0.933 175.771 176.870 -0.277 0.000 1.033 482 L CA -0.657 54.087 54.840 -0.160 0.000 0.807 482 L CB 1.032 43.000 42.059 -0.152 0.000 1.209 482 L HN 0.872 nan 8.230 nan 0.000 0.423 483 H N 1.121 119.928 119.070 -0.438 0.000 2.679 483 H HA 0.323 4.879 4.556 0.000 0.000 0.367 483 H C -0.451 174.667 175.328 -0.350 0.000 1.162 483 H CA -0.312 55.378 56.048 -0.596 0.000 1.181 483 H CB 2.098 31.061 29.762 -1.331 0.000 1.693 483 H HN 0.448 nan 8.280 nan 0.000 0.538 484 S N 0.530 116.197 115.700 -0.055 0.000 2.480 484 S HA 0.164 4.634 4.470 0.000 0.000 0.286 484 S C 0.656 175.264 174.600 0.014 0.000 1.180 484 S CA -0.569 57.634 58.200 0.005 0.000 1.075 484 S CB 0.693 63.908 63.200 0.024 0.000 0.996 484 S HN 0.656 nan 8.310 nan 0.000 0.487 485 S N 3.518 119.190 115.700 -0.046 0.000 2.447 485 S HA -0.089 4.381 4.470 0.000 0.000 0.233 485 S C 2.067 176.682 174.600 0.025 0.000 1.006 485 S CA 1.138 59.403 58.200 0.108 0.000 0.957 485 S CB -0.354 62.871 63.200 0.042 0.000 0.773 485 S HN 0.908 nan 8.310 nan 0.000 0.507 486 S N 2.809 118.479 115.700 -0.051 0.000 2.331 486 S HA -0.093 4.378 4.470 0.000 0.000 0.208 486 S C 2.079 176.673 174.600 -0.010 0.000 1.032 486 S CA 1.272 59.450 58.200 -0.037 0.000 0.991 486 S CB -1.014 62.156 63.200 -0.051 0.000 0.980 486 S HN 0.560 nan 8.310 nan 0.000 0.433 487 S N 0.736 116.434 115.700 -0.005 0.000 2.481 487 S HA 0.032 4.503 4.470 0.000 0.000 0.231 487 S C 0.452 175.071 174.600 0.032 0.000 0.996 487 S CA 0.905 59.109 58.200 0.007 0.000 0.942 487 S CB -0.718 62.482 63.200 0.000 0.000 0.768 487 S HN 0.496 nan 8.310 nan 0.000 0.520 488 D N 0.627 121.069 120.400 0.070 0.000 3.077 488 D HA -0.155 4.485 4.640 0.000 0.000 0.217 488 D C 0.041 176.424 176.300 0.140 0.000 1.162 488 D CA 1.205 55.300 54.000 0.159 0.000 0.943 488 D CB -1.268 39.612 40.800 0.132 0.000 1.122 488 D HN 0.686 nan 8.370 nan 0.000 0.413 489 K N 1.204 121.625 120.400 0.036 0.000 2.295 489 K HA 0.090 4.410 4.320 0.000 0.000 0.270 489 K C 0.267 176.760 176.600 -0.179 0.000 1.011 489 K CA -0.163 56.105 56.287 -0.032 0.000 0.953 489 K CB 0.620 33.097 32.500 -0.039 0.000 0.956 489 K HN 0.013 nan 8.250 nan 0.000 0.477 490 E N 5.108 125.128 120.200 -0.300 0.000 1.932 490 E HA 0.009 4.359 4.350 0.000 0.000 0.275 490 E C 0.693 177.079 176.600 -0.358 0.000 1.159 490 E CA -0.161 55.858 56.400 -0.635 0.000 0.905 490 E CB 0.179 29.584 29.700 -0.492 0.000 1.059 490 E HN 0.650 nan 8.360 nan 0.000 0.400 491 L N 4.390 125.422 121.223 -0.318 0.000 2.013 491 L HA -0.175 4.165 4.340 0.000 0.000 0.212 491 L C 1.348 178.124 176.870 -0.156 0.000 1.073 491 L CA 1.495 56.235 54.840 -0.167 0.000 0.753 491 L CB -0.641 41.353 42.059 -0.109 0.000 0.890 491 L HN 0.618 nan 8.230 nan 0.000 0.432 492 R N -2.784 117.591 120.500 -0.208 0.000 2.780 492 R HA 0.413 4.753 4.340 0.000 0.000 0.280 492 R C -1.707 174.474 176.300 -0.198 0.000 1.016 492 R CA -0.982 55.017 56.100 -0.169 0.000 0.854 492 R CB 1.254 31.479 30.300 -0.125 0.000 1.293 492 R HN -0.294 nan 8.270 nan 0.000 0.483 493 V N 2.816 122.632 119.914 -0.163 0.000 2.364 493 V HA 0.210 4.330 4.120 0.000 0.000 0.272 493 V C 1.341 177.296 176.094 -0.232 0.000 1.036 493 V CA -0.501 61.701 62.300 -0.164 0.000 0.880 493 V CB 1.195 32.954 31.823 -0.107 0.000 0.991 493 V HN 0.619 nan 8.190 nan 0.000 0.460 494 L N 2.954 123.960 121.223 -0.361 0.000 2.179 494 L HA 0.219 4.559 4.340 0.000 0.000 0.208 494 L C 0.712 177.308 176.870 -0.457 0.000 1.096 494 L CA 0.754 55.180 54.840 -0.690 0.000 0.779 494 L CB 0.120 41.387 42.059 -1.319 0.000 0.922 494 L HN 0.742 nan 8.230 nan 0.000 0.443 495 E N 0.212 120.290 120.200 -0.205 0.000 2.647 495 E HA 0.052 4.402 4.350 0.000 0.000 0.320 495 E C -1.359 175.259 176.600 0.030 0.000 0.951 495 E CA -0.373 56.003 56.400 -0.040 0.000 0.809 495 E CB 0.817 30.515 29.700 -0.003 0.000 1.295 495 E HN 0.141 nan 8.360 nan 0.000 0.407 496 D N 3.504 123.908 120.400 0.007 0.000 2.571 496 D HA 0.154 4.794 4.640 0.000 0.000 0.239 496 D C -0.419 175.872 176.300 -0.015 0.000 1.267 496 D CA -0.382 53.616 54.000 -0.004 0.000 0.823 496 D CB -0.252 40.529 40.800 -0.032 0.000 1.056 496 D HN 0.465 nan 8.370 nan 0.000 0.494 497 N N 0.998 119.699 118.700 0.001 0.000 2.693 497 N HA -0.240 4.500 4.740 0.000 0.000 0.250 497 N C 1.082 176.572 175.510 -0.034 0.000 1.033 497 N CA 1.007 54.047 53.050 -0.017 0.000 0.747 497 N CB -1.018 37.453 38.487 -0.026 0.000 0.964 497 N HN 0.560 nan 8.380 nan 0.000 0.540 498 S N -1.332 114.352 115.700 -0.025 0.000 2.423 498 S HA 0.009 4.479 4.470 0.000 0.000 0.231 498 S C 2.038 176.630 174.600 -0.013 0.000 1.014 498 S CA 0.744 58.929 58.200 -0.026 0.000 0.965 498 S CB 0.029 63.217 63.200 -0.020 0.000 0.785 498 S HN 0.492 nan 8.310 nan 0.000 0.495 499 A N 2.278 125.097 122.820 -0.001 0.000 1.855 499 A HA 0.092 4.412 4.320 0.000 0.000 0.215 499 A C 2.217 179.819 177.584 0.029 0.000 1.191 499 A CA 1.543 53.590 52.037 0.018 0.000 0.613 499 A CB -1.082 17.931 19.000 0.022 0.000 0.829 499 A HN 0.546 nan 8.150 nan 0.000 0.442 500 L N 0.588 121.826 121.223 0.025 0.000 2.081 500 L HA -0.216 4.124 4.340 0.000 0.000 0.212 500 L C 1.862 178.719 176.870 -0.021 0.000 1.080 500 L CA 2.868 57.729 54.840 0.035 0.000 0.754 500 L CB -0.852 41.221 42.059 0.024 0.000 0.893 500 L HN 0.552 nan 8.230 nan 0.000 0.433 501 D N -0.909 119.462 120.400 -0.047 0.000 2.117 501 D HA -0.268 4.372 4.640 0.000 0.000 0.197 501 D C 2.177 178.452 176.300 -0.042 0.000 0.987 501 D CA 1.343 55.302 54.000 -0.069 0.000 0.829 501 D CB -0.017 40.741 40.800 -0.069 0.000 0.961 501 D HN 0.229 nan 8.370 nan 0.000 0.460 502 K N -0.081 120.310 120.400 -0.014 0.000 2.057 502 K HA -0.062 4.258 4.320 0.000 0.000 0.207 502 K C 2.057 178.669 176.600 0.020 0.000 1.049 502 K CA 1.319 57.609 56.287 0.005 0.000 0.931 502 K CB -0.314 32.197 32.500 0.018 0.000 0.714 502 K HN 0.231 nan 8.250 nan 0.000 0.440 503 M N -0.031 119.595 119.600 0.043 0.000 2.117 503 M HA -0.103 4.377 4.480 0.000 0.000 0.262 503 M C 1.940 178.211 176.300 -0.048 0.000 1.065 503 M CA 1.462 56.816 55.300 0.091 0.000 1.114 503 M CB -0.264 32.487 32.600 0.252 0.000 1.361 503 M HN 0.096 nan 8.290 nan 0.000 0.408 504 L N 0.301 121.431 121.223 -0.155 0.000 2.362 504 L HA -0.182 4.158 4.340 0.000 0.000 0.219 504 L C 2.364 179.167 176.870 -0.111 0.000 1.134 504 L CA 0.784 55.487 54.840 -0.229 0.000 0.807 504 L CB -0.633 41.304 42.059 -0.204 0.000 0.927 504 L HN 0.481 nan 8.230 nan 0.000 0.447 505 Q N -1.313 118.453 119.800 -0.057 0.000 2.482 505 Q HA -0.132 4.208 4.340 0.000 0.000 0.209 505 Q C 0.640 176.640 176.000 -0.000 0.000 0.961 505 Q CA 0.824 56.611 55.803 -0.027 0.000 0.945 505 Q CB -0.082 28.646 28.738 -0.017 0.000 1.012 505 Q HN 0.221 nan 8.270 nan 0.000 0.515 506 D N 0.449 120.855 120.400 0.009 0.000 2.440 506 D HA 0.112 4.752 4.640 0.000 0.000 0.216 506 D C -1.113 175.226 176.300 0.065 0.000 1.150 506 D CA -0.148 53.881 54.000 0.049 0.000 0.832 506 D CB 1.250 42.097 40.800 0.078 0.000 0.992 506 D HN 0.128 nan 8.370 nan 0.000 0.502 507 V N 0.733 120.663 119.914 0.026 0.000 2.588 507 V HA 0.328 4.448 4.120 0.000 0.000 0.304 507 V C -0.882 175.239 176.094 0.044 0.000 1.042 507 V CA -0.687 61.646 62.300 0.056 0.000 0.877 507 V CB 1.899 33.732 31.823 0.016 0.000 0.996 507 V HN -0.068 nan 8.190 nan 0.000 0.425 508 Q N 6.613 126.466 119.800 0.089 0.000 2.780 508 Q HA 0.227 4.567 4.340 0.000 0.000 0.234 508 Q C -0.196 175.831 176.000 0.046 0.000 1.355 508 Q CA -0.055 55.793 55.803 0.075 0.000 0.919 508 Q CB 0.152 28.977 28.738 0.145 0.000 1.645 508 Q HN 0.604 nan 8.270 nan 0.000 0.568 509 M N 3.495 123.091 119.600 -0.006 0.000 2.245 509 M HA 0.214 4.694 4.480 0.000 0.000 0.344 509 M C -1.913 174.354 176.300 -0.055 0.000 1.170 509 M CA -2.059 53.218 55.300 -0.038 0.000 1.135 509 M CB -0.216 32.349 32.600 -0.058 0.000 1.574 509 M HN 0.264 nan 8.290 nan 0.000 0.452 510 P HA 0.271 nan 4.420 nan 0.000 0.279 510 P C -0.989 176.244 177.300 -0.113 0.000 1.252 510 P CA -0.441 62.601 63.100 -0.096 0.000 0.811 510 P CB 0.745 32.380 31.700 -0.108 0.000 1.035 511 S N 0.418 116.035 115.700 -0.137 0.000 2.651 511 S HA 0.542 5.012 4.470 0.000 0.000 0.291 511 S C -0.342 174.166 174.600 -0.154 0.000 1.141 511 S CA -0.823 57.300 58.200 -0.129 0.000 1.027 511 S CB 1.609 64.729 63.200 -0.133 0.000 1.043 511 S HN 0.504 nan 8.310 nan 0.000 0.530 512 K N 0.949 121.280 120.400 -0.114 0.000 2.450 512 K HA 0.366 4.686 4.320 0.000 0.000 0.257 512 K C -1.279 175.265 176.600 -0.094 0.000 0.953 512 K CA -0.450 55.771 56.287 -0.110 0.000 0.844 512 K CB 1.082 33.536 32.500 -0.077 0.000 1.103 512 K HN 0.729 nan 8.250 nan 0.000 0.429 513 K N 5.184 125.511 120.400 -0.122 0.000 2.244 513 K HA 0.330 4.650 4.320 0.000 0.000 0.260 513 K C -1.339 175.191 176.600 -0.115 0.000 0.951 513 K CA -0.778 55.446 56.287 -0.106 0.000 0.826 513 K CB 0.957 33.375 32.500 -0.137 0.000 1.108 513 K HN 0.404 nan 8.250 nan 0.000 0.433 514 L N 3.590 124.776 121.223 -0.062 0.000 2.295 514 L HA 0.436 4.776 4.340 0.000 0.000 0.285 514 L C -0.255 176.564 176.870 -0.086 0.000 1.035 514 L CA 0.175 54.992 54.840 -0.038 0.000 0.806 514 L CB 1.494 43.644 42.059 0.153 0.000 1.214 514 L HN 0.799 nan 8.230 nan 0.000 0.426 515 D N 1.306 121.485 120.400 -0.369 0.000 2.895 515 D HA 0.661 5.301 4.640 0.000 0.000 0.320 515 D C -1.588 174.501 176.300 -0.351 0.000 1.249 515 D CA -0.189 53.607 54.000 -0.340 0.000 0.997 515 D CB 2.060 42.716 40.800 -0.240 0.000 1.430 515 D HN 0.119 nan 8.370 nan 0.000 0.558 516 V N 0.889 120.738 119.914 -0.107 0.000 3.040 516 V HA 0.653 4.773 4.120 0.000 0.000 0.312 516 V C -0.260 176.018 176.094 0.306 0.000 1.115 516 V CA -0.722 61.577 62.300 -0.001 0.000 0.998 516 V CB 1.976 33.523 31.823 -0.460 0.000 1.042 516 V HN 0.577 nan 8.190 nan 0.000 0.433 517 I N 0.101 120.868 120.570 0.330 0.000 3.145 517 I HA 0.708 4.878 4.170 0.000 0.000 0.313 517 I C -1.121 175.119 176.117 0.205 0.000 1.122 517 I CA -0.889 60.537 61.300 0.209 0.000 0.987 517 I CB 2.679 40.714 38.000 0.058 0.000 1.236 517 I HN 0.537 nan 8.210 nan 0.000 0.453 518 N N 2.726 121.505 118.700 0.131 0.000 2.479 518 N HA 0.632 5.372 4.740 0.000 0.000 0.261 518 N C -1.625 173.991 175.510 0.177 0.000 0.979 518 N CA -0.394 52.755 53.050 0.165 0.000 0.930 518 N CB 1.220 39.758 38.487 0.084 0.000 1.172 518 N HN 0.531 nan 8.380 nan 0.000 0.499 519 L N 2.314 123.746 121.223 0.348 0.000 2.362 519 L HA 0.420 4.760 4.340 0.000 0.000 0.271 519 L C -0.214 176.919 176.870 0.438 0.000 1.002 519 L CA -1.014 54.007 54.840 0.301 0.000 0.818 519 L CB 1.366 43.537 42.059 0.187 0.000 1.298 519 L HN 0.714 nan 8.230 nan 0.000 0.420 520 H N 2.495 121.622 119.070 0.095 0.000 2.415 520 H HA -0.196 4.360 4.556 0.000 0.000 0.323 520 H C 1.329 176.735 175.328 0.129 0.000 1.035 520 H CA 1.093 57.191 56.048 0.083 0.000 1.098 520 H CB -1.252 28.542 29.762 0.054 0.000 1.575 520 H HN 0.993 nan 8.280 nan 0.000 0.387 521 G N -1.035 107.858 108.800 0.155 0.000 2.451 521 G HA2 -0.404 3.556 3.960 0.000 0.000 0.253 521 G HA3 -0.404 3.556 3.960 0.000 0.000 0.253 521 G C 0.758 175.727 174.900 0.115 0.000 1.033 521 G CA 1.049 46.215 45.100 0.110 0.000 0.633 521 G HN 0.748 nan 8.290 nan 0.000 0.537 522 T N 1.381 116.046 114.554 0.186 0.000 2.899 522 T HA 0.513 4.863 4.350 0.000 0.000 0.284 522 T C 0.438 175.103 174.700 -0.060 0.000 1.004 522 T CA 0.238 62.328 62.100 -0.016 0.000 1.043 522 T CB 1.290 70.004 68.868 -0.258 0.000 1.013 522 T HN 0.662 nan 8.240 nan 0.000 0.518 523 K N 1.719 121.984 120.400 -0.225 0.000 2.268 523 K HA 0.483 4.803 4.320 0.000 0.000 0.276 523 K C -1.307 175.142 176.600 -0.252 0.000 1.080 523 K CA -0.485 55.721 56.287 -0.134 0.000 0.910 523 K CB 0.148 32.567 32.500 -0.135 0.000 1.163 523 K HN 0.292 nan 8.250 nan 0.000 0.465 524 F N 1.862 121.912 119.950 0.167 0.000 2.432 524 F HA 0.447 4.974 4.527 0.000 0.000 0.329 524 F C -0.073 175.908 175.800 0.303 0.000 1.076 524 F CA -0.705 57.446 58.000 0.250 0.000 1.018 524 F CB 0.851 40.014 39.000 0.272 0.000 1.201 524 F HN 0.463 nan 8.300 nan 0.000 0.489 525 W N 1.962 123.475 121.300 0.356 0.000 2.359 525 W HA 0.546 5.206 4.660 0.000 0.000 0.344 525 W C -0.678 176.144 176.519 0.504 0.000 1.170 525 W CA -0.560 56.990 57.345 0.342 0.000 1.296 525 W CB 0.606 30.170 29.460 0.173 0.000 1.197 525 W HN 0.456 nan 8.180 nan 0.000 0.618 526 Y N -0.888 119.787 120.300 0.626 0.000 2.705 526 Y HA 0.660 5.210 4.550 0.000 0.000 0.332 526 Y C -1.265 174.861 175.900 0.377 0.000 1.221 526 Y CA -1.804 56.636 58.100 0.568 0.000 1.059 526 Y CB 1.124 40.053 38.460 0.781 0.000 1.298 526 Y HN 0.554 nan 8.280 nan 0.000 0.459 527 Q N 1.582 121.570 119.800 0.314 0.000 2.418 527 Q HA 0.740 5.080 4.340 0.000 0.000 0.282 527 Q C -1.950 174.131 176.000 0.134 0.000 1.044 527 Q CA -1.191 54.661 55.803 0.081 0.000 0.813 527 Q CB 3.358 32.146 28.738 0.084 0.000 1.428 527 Q HN 0.819 nan 8.270 nan 0.000 0.402 528 M N 2.595 122.200 119.600 0.007 0.000 2.213 528 M HA 0.420 4.900 4.480 0.000 0.000 0.286 528 M C -1.147 175.066 176.300 -0.145 0.000 1.008 528 M CA -0.889 54.373 55.300 -0.062 0.000 0.937 528 M CB 2.086 34.624 32.600 -0.104 0.000 1.600 528 M HN 0.583 nan 8.290 nan 0.000 0.450 529 I N 5.084 125.575 120.570 -0.132 0.000 2.347 529 I HA 0.247 4.417 4.170 0.000 0.000 0.294 529 I C -0.178 175.792 176.117 -0.246 0.000 1.090 529 I CA -0.043 61.159 61.300 -0.164 0.000 1.314 529 I CB -0.306 37.617 38.000 -0.129 0.000 1.423 529 I HN 0.670 nan 8.210 nan 0.000 0.503 530 L N 8.630 129.653 121.223 -0.333 0.000 2.292 530 L HA 0.372 4.712 4.340 0.000 0.000 0.284 530 L C -2.104 174.578 176.870 -0.313 0.000 1.065 530 L CA -1.722 52.816 54.840 -0.503 0.000 0.806 530 L CB 0.925 42.514 42.059 -0.784 0.000 1.175 530 L HN 0.253 nan 8.230 nan 0.000 0.431 531 P HA 0.112 nan 4.420 nan 0.000 0.269 531 P C -2.447 174.858 177.300 0.008 0.000 1.215 531 P CA -0.925 62.135 63.100 -0.067 0.000 0.780 531 P CB 0.004 31.720 31.700 0.026 0.000 0.898 532 P HA -0.029 nan 4.420 nan 0.000 0.268 532 P C -0.563 176.827 177.300 0.151 0.000 1.208 532 P CA 0.512 63.627 63.100 0.025 0.000 0.777 532 P CB -0.294 31.456 31.700 0.085 0.000 0.875 533 H N -1.622 117.496 119.070 0.079 0.000 2.557 533 H HA -0.224 4.332 4.556 0.000 0.000 0.319 533 H C -0.043 175.358 175.328 0.121 0.000 1.102 533 H CA -0.045 56.053 56.048 0.083 0.000 1.126 533 H CB -2.352 27.450 29.762 0.067 0.000 1.498 533 H HN 0.275 nan 8.280 nan 0.000 0.411 534 F N 1.972 121.924 119.950 0.003 0.000 2.608 534 F HA 0.159 4.686 4.527 0.000 0.000 0.380 534 F C 0.537 176.359 175.800 0.035 0.000 1.083 534 F CA -0.328 57.628 58.000 -0.074 0.000 1.266 534 F CB 0.487 39.340 39.000 -0.244 0.000 1.076 534 F HN 0.344 nan 8.300 nan 0.000 0.574 535 D N 6.211 126.310 120.400 -0.501 0.000 2.420 535 D HA 0.183 4.823 4.640 0.000 0.000 0.255 535 D C -0.645 175.359 176.300 -0.493 0.000 1.185 535 D CA -0.675 53.114 54.000 -0.351 0.000 0.904 535 D CB 0.525 41.281 40.800 -0.073 0.000 1.102 535 D HN 0.587 nan 8.370 nan 0.000 0.534 536 K N 1.441 121.487 120.400 -0.591 0.000 2.185 536 K HA 0.288 4.608 4.320 0.000 0.000 0.245 536 K C 0.516 177.092 176.600 -0.040 0.000 1.035 536 K CA -0.067 56.097 56.287 -0.206 0.000 0.847 536 K CB 0.132 32.671 32.500 0.064 0.000 1.056 536 K HN 0.298 nan 8.250 nan 0.000 0.518 537 S N -2.010 113.725 115.700 0.059 0.000 1.540 537 S HA -0.226 4.244 4.470 0.000 0.000 0.243 537 S C 0.150 174.748 174.600 -0.004 0.000 0.778 537 S CA 1.521 59.732 58.200 0.018 0.000 1.286 537 S CB -1.354 61.840 63.200 -0.010 0.000 1.546 537 S HN 0.811 nan 8.310 nan 0.000 0.513 538 K N 2.691 123.077 120.400 -0.024 0.000 2.144 538 K HA 0.394 4.714 4.320 0.000 0.000 0.270 538 K C -0.829 175.730 176.600 -0.068 0.000 1.005 538 K CA -0.342 55.880 56.287 -0.109 0.000 0.932 538 K CB 0.514 32.885 32.500 -0.215 0.000 1.021 538 K HN 0.187 nan 8.250 nan 0.000 0.462 539 K N 3.384 123.693 120.400 -0.152 0.000 2.281 539 K HA 0.191 4.511 4.320 0.000 0.000 0.272 539 K C -1.263 175.240 176.600 -0.161 0.000 1.048 539 K CA -0.514 55.739 56.287 -0.057 0.000 0.898 539 K CB 0.748 33.210 32.500 -0.063 0.000 1.128 539 K HN 0.363 nan 8.250 nan 0.000 0.460 540 Y N 3.262 123.601 120.300 0.065 0.000 2.376 540 Y HA 0.267 4.817 4.550 0.000 0.000 0.325 540 Y C -1.882 173.966 175.900 -0.088 0.000 1.199 540 Y CA -2.561 55.555 58.100 0.027 0.000 1.206 540 Y CB 0.541 39.090 38.460 0.148 0.000 1.229 540 Y HN 0.483 nan 8.280 nan 0.000 0.480 541 P HA 0.189 nan 4.420 nan 0.000 0.277 541 P C -1.251 175.891 177.300 -0.263 0.000 1.240 541 P CA -0.291 62.516 63.100 -0.488 0.000 0.798 541 P CB 1.704 32.722 31.700 -1.137 0.000 0.979 542 L N 3.152 124.254 121.223 -0.203 0.000 2.341 542 L HA 0.558 4.898 4.340 0.000 0.000 0.278 542 L C -1.209 175.837 176.870 0.294 0.000 1.005 542 L CA -0.917 53.958 54.840 0.059 0.000 0.818 542 L CB 1.439 43.534 42.059 0.061 0.000 1.259 542 L HN 0.174 nan 8.230 nan 0.000 0.418 543 L N 5.926 127.332 121.223 0.305 0.000 2.341 543 L HA 0.624 4.964 4.340 0.000 0.000 0.278 543 L C -1.252 175.820 176.870 0.337 0.000 1.005 543 L CA -0.247 54.827 54.840 0.391 0.000 0.818 543 L CB 1.513 43.749 42.059 0.295 0.000 1.259 543 L HN 0.427 nan 8.230 nan 0.000 0.418 544 I N 4.386 125.210 120.570 0.424 0.000 2.328 544 I HA 0.323 4.493 4.170 0.000 0.000 0.287 544 I C 0.051 176.396 176.117 0.380 0.000 1.012 544 I CA -0.249 61.283 61.300 0.387 0.000 1.195 544 I CB 1.296 39.576 38.000 0.467 0.000 1.350 544 I HN 0.711 nan 8.210 nan 0.000 0.464 545 E N 6.114 126.508 120.200 0.324 0.000 2.130 545 E HA 0.431 4.781 4.350 0.000 0.000 0.284 545 E C -1.415 175.253 176.600 0.113 0.000 1.018 545 E CA -0.271 56.226 56.400 0.162 0.000 0.817 545 E CB 1.811 31.698 29.700 0.311 0.000 1.078 545 E HN 0.423 nan 8.360 nan 0.000 0.396 546 V N 5.356 125.281 119.914 0.017 0.000 2.960 546 V HA 0.373 4.493 4.120 0.000 0.000 0.315 546 V C -1.183 175.018 176.094 0.178 0.000 1.087 546 V CA -0.293 62.089 62.300 0.137 0.000 0.982 546 V CB 1.701 33.614 31.823 0.150 0.000 1.039 546 V HN 0.893 nan 8.190 nan 0.000 0.437 547 Y N 4.145 124.521 120.300 0.127 0.000 3.280 547 Y HA 0.543 5.093 4.550 -0.000 0.000 0.195 547 Y C 1.410 177.477 175.900 0.279 0.000 0.916 547 Y CA 1.197 59.404 58.100 0.178 0.000 1.655 547 Y CB -0.164 38.376 38.460 0.133 0.000 1.472 547 Y HN 1.177 nan 8.280 nan 0.000 0.384 548 A N 1.257 124.124 122.820 0.078 0.000 2.799 548 A HA -0.112 4.208 4.320 0.000 0.000 0.287 548 A C 0.815 178.214 177.584 -0.309 0.000 1.484 548 A CA 1.105 53.142 52.037 -0.000 0.000 0.813 548 A CB -2.241 16.847 19.000 0.147 0.000 1.009 548 A HN 0.979 nan 8.150 nan 0.000 0.545 549 G N -0.582 107.660 108.800 -0.929 0.000 2.504 549 G HA2 0.586 4.546 3.960 0.000 0.000 0.288 549 G HA3 0.586 4.546 3.960 0.000 0.000 0.288 549 G C -2.036 172.432 174.900 -0.719 0.000 1.182 549 G CA -1.108 43.024 45.100 -1.613 0.000 0.894 549 G HN 0.357 nan 8.290 nan 0.000 0.521 550 P HA 0.013 nan 4.420 nan 0.000 0.263 550 P C 0.595 177.723 177.300 -0.287 0.000 1.195 550 P CA 0.312 63.070 63.100 -0.571 0.000 0.762 550 P CB 0.705 31.624 31.700 -1.302 0.000 0.799 551 C N 2.506 121.750 119.300 -0.093 0.000 4.507 551 C HA -0.137 4.323 4.460 0.000 0.000 0.285 551 C C 1.031 176.095 174.990 0.122 0.000 1.335 551 C CA 1.059 60.023 59.018 -0.090 0.000 1.953 551 C CB -2.598 24.950 27.740 -0.320 0.000 1.262 551 C HN 0.815 nan 8.230 nan 0.000 0.776 552 S N -0.127 115.697 115.700 0.206 0.000 2.707 552 S HA 0.675 5.145 4.470 0.000 0.000 0.276 552 S C -0.588 174.231 174.600 0.366 0.000 1.179 552 S CA 0.227 58.669 58.200 0.404 0.000 0.992 552 S CB 1.700 65.205 63.200 0.508 0.000 1.030 552 S HN 0.941 nan 8.310 nan 0.000 0.554 553 Q N -0.297 119.728 119.800 0.375 0.000 2.567 553 Q HA 0.312 4.652 4.340 0.000 0.000 0.233 553 Q C -0.740 175.389 176.000 0.215 0.000 0.833 553 Q CA -0.552 55.430 55.803 0.298 0.000 0.844 553 Q CB 0.851 29.794 28.738 0.341 0.000 1.423 553 Q HN 0.597 nan 8.270 nan 0.000 0.442 554 K N 1.429 121.953 120.400 0.206 0.000 2.379 554 K HA 0.193 4.513 4.320 0.000 0.000 0.194 554 K C -0.033 176.655 176.600 0.146 0.000 1.031 554 K CA 0.346 56.736 56.287 0.172 0.000 1.037 554 K CB 0.920 33.549 32.500 0.214 0.000 0.824 554 K HN 0.383 nan 8.250 nan 0.000 0.516 555 V N 4.007 124.013 119.914 0.154 0.000 2.311 555 V HA 0.137 4.257 4.120 0.000 0.000 0.275 555 V C -0.437 175.700 176.094 0.073 0.000 1.022 555 V CA -0.736 61.648 62.300 0.140 0.000 0.830 555 V CB 0.882 32.836 31.823 0.218 0.000 1.012 555 V HN 0.282 nan 8.190 nan 0.000 0.452 556 D N 2.447 122.876 120.400 0.048 0.000 2.752 556 D HA 0.329 4.969 4.640 0.000 0.000 0.313 556 D C 0.473 176.789 176.300 0.025 0.000 1.225 556 D CA -0.003 54.027 54.000 0.050 0.000 0.976 556 D CB 1.516 42.369 40.800 0.088 0.000 1.443 556 D HN 0.310 nan 8.370 nan 0.000 0.515 557 T N -2.224 112.377 114.554 0.078 0.000 3.214 557 T HA 0.363 4.714 4.350 0.000 0.000 0.264 557 T C 0.356 175.046 174.700 -0.018 0.000 1.012 557 T CA -0.423 61.711 62.100 0.056 0.000 0.901 557 T CB -0.733 68.207 68.868 0.120 0.000 1.070 557 T HN 0.275 nan 8.240 nan 0.000 0.561 558 V N 2.376 122.165 119.914 -0.208 0.000 2.715 558 V HA 0.311 4.431 4.120 0.000 0.000 0.299 558 V C 0.167 176.239 176.094 -0.036 0.000 1.054 558 V CA -0.846 61.306 62.300 -0.247 0.000 1.077 558 V CB 0.146 31.678 31.823 -0.484 0.000 0.972 558 V HN 0.579 nan 8.190 nan 0.000 0.484 559 F N 5.947 125.850 119.950 -0.079 0.000 2.420 559 F HA 0.541 5.068 4.527 0.000 0.000 0.352 559 F C 0.516 176.297 175.800 -0.032 0.000 1.108 559 F CA -0.251 57.720 58.000 -0.047 0.000 1.162 559 F CB 0.286 39.273 39.000 -0.022 0.000 1.118 559 F HN 0.407 nan 8.300 nan 0.000 0.510 560 R N 6.519 126.597 120.500 -0.704 0.000 2.538 560 R HA 0.379 4.719 4.340 0.000 0.000 0.292 560 R C -1.775 174.164 176.300 -0.602 0.000 1.008 560 R CA -1.219 54.597 56.100 -0.473 0.000 0.896 560 R CB 1.845 32.012 30.300 -0.222 0.000 1.187 560 R HN 0.483 nan 8.270 nan 0.000 0.440 561 L N 3.325 124.345 121.223 -0.338 0.000 2.328 561 L HA 0.212 4.552 4.340 0.000 0.000 0.280 561 L C 0.199 177.115 176.870 0.077 0.000 1.111 561 L CA 0.288 55.006 54.840 -0.203 0.000 0.909 561 L CB 0.272 42.381 42.059 0.083 0.000 1.277 561 L HN 0.711 nan 8.230 nan 0.000 0.433 562 S N 1.285 116.937 115.700 -0.080 0.000 2.786 562 S HA 0.276 4.746 4.470 0.000 0.000 0.307 562 S C 0.635 175.016 174.600 -0.364 0.000 1.121 562 S CA -0.704 57.408 58.200 -0.147 0.000 0.975 562 S CB 0.587 63.753 63.200 -0.057 0.000 1.220 562 S HN 0.545 nan 8.310 nan 0.000 0.550 563 W N 1.139 121.923 121.300 -0.860 0.000 2.363 563 W HA 0.071 4.731 4.660 0.000 0.000 0.296 563 W C 2.236 178.704 176.519 -0.085 0.000 1.212 563 W CA 1.680 58.659 57.345 -0.611 0.000 1.260 563 W CB -0.978 28.191 29.460 -0.485 0.000 1.131 563 W HN 0.806 nan 8.180 nan 0.000 0.530 564 A N -0.376 122.367 122.820 -0.129 0.000 1.969 564 A HA -0.129 4.191 4.320 0.000 0.000 0.218 564 A C 1.939 179.413 177.584 -0.182 0.000 1.169 564 A CA 2.126 54.017 52.037 -0.243 0.000 0.635 564 A CB -1.217 17.738 19.000 -0.074 0.000 0.810 564 A HN 0.274 nan 8.150 nan 0.000 0.445 565 T N -0.878 113.608 114.554 -0.114 0.000 2.635 565 T HA -0.243 4.107 4.350 0.000 0.000 0.267 565 T C 1.813 176.551 174.700 0.063 0.000 1.040 565 T CA 1.935 63.960 62.100 -0.125 0.000 1.156 565 T CB -0.526 68.141 68.868 -0.335 0.000 0.863 565 T HN 0.702 nan 8.240 nan 0.000 0.430 566 Y N 2.188 122.586 120.300 0.163 0.000 2.145 566 Y HA -0.060 4.490 4.550 0.000 0.000 0.286 566 Y C 2.001 177.910 175.900 0.016 0.000 1.145 566 Y CA 0.962 59.191 58.100 0.215 0.000 1.148 566 Y CB -0.856 37.725 38.460 0.201 0.000 0.981 566 Y HN 0.135 nan 8.280 nan 0.000 0.507 567 L N 0.234 120.992 121.223 -0.775 0.000 2.043 567 L HA -0.252 4.088 4.340 0.000 0.000 0.212 567 L C 2.789 179.420 176.870 -0.398 0.000 1.075 567 L CA 1.470 55.815 54.840 -0.825 0.000 0.752 567 L CB -1.083 40.535 42.059 -0.735 0.000 0.891 567 L HN 0.448 nan 8.230 nan 0.000 0.432 568 A N -1.279 121.392 122.820 -0.248 0.000 1.878 568 A HA -0.145 4.175 4.320 0.000 0.000 0.213 568 A C 2.509 180.055 177.584 -0.064 0.000 1.192 568 A CA 1.528 53.483 52.037 -0.135 0.000 0.619 568 A CB -0.531 18.384 19.000 -0.143 0.000 0.837 568 A HN 0.307 nan 8.150 nan 0.000 0.446 569 S N -0.990 114.692 115.700 -0.030 0.000 2.343 569 S HA -0.127 4.343 4.470 0.000 0.000 0.219 569 S C 2.055 176.706 174.600 0.086 0.000 1.033 569 S CA 2.333 60.570 58.200 0.061 0.000 1.014 569 S CB -0.442 62.849 63.200 0.151 0.000 0.915 569 S HN 0.569 nan 8.310 nan 0.000 0.435 570 T N 1.400 115.995 114.554 0.069 0.000 2.939 570 T HA 0.148 4.498 4.350 0.000 0.000 0.254 570 T C 1.280 175.988 174.700 0.013 0.000 1.041 570 T CA 0.654 62.811 62.100 0.096 0.000 1.142 570 T CB -0.102 68.929 68.868 0.271 0.000 0.874 570 T HN 0.350 nan 8.240 nan 0.000 0.452 571 E N 1.247 121.360 120.200 -0.146 0.000 2.463 571 E HA 0.160 4.510 4.350 0.000 0.000 0.193 571 E C -0.045 176.556 176.600 0.001 0.000 1.041 571 E CA -0.104 56.245 56.400 -0.085 0.000 0.879 571 E CB -0.191 29.390 29.700 -0.198 0.000 0.997 571 E HN 0.411 nan 8.360 nan 0.000 0.478 572 N N 0.630 119.352 118.700 0.036 0.000 2.708 572 N HA -0.197 4.543 4.740 0.000 0.000 0.249 572 N C -0.763 174.866 175.510 0.198 0.000 1.097 572 N CA 0.559 53.706 53.050 0.162 0.000 0.710 572 N CB -1.375 37.245 38.487 0.222 0.000 1.032 572 N HN 0.286 nan 8.380 nan 0.000 0.551 573 I N 0.592 121.198 120.570 0.060 0.000 2.392 573 I HA 0.316 4.486 4.170 0.000 0.000 0.295 573 I C 0.721 176.842 176.117 0.007 0.000 0.985 573 I CA -0.805 60.536 61.300 0.068 0.000 1.221 573 I CB 1.153 39.204 38.000 0.085 0.000 1.366 573 I HN -0.003 nan 8.210 nan 0.000 0.467 574 I N 6.176 126.760 120.570 0.023 0.000 2.441 574 I HA 0.180 4.350 4.170 0.000 0.000 0.287 574 I C -0.397 175.706 176.117 -0.022 0.000 1.049 574 I CA -0.452 60.811 61.300 -0.062 0.000 1.381 574 I CB 1.199 39.165 38.000 -0.055 0.000 1.409 574 I HN 0.206 nan 8.210 nan 0.000 0.523 575 V N 6.432 126.312 119.914 -0.057 0.000 2.357 575 V HA 0.630 4.750 4.120 0.000 0.000 0.284 575 V C 0.249 176.350 176.094 0.012 0.000 1.018 575 V CA -0.461 61.844 62.300 0.007 0.000 0.841 575 V CB 1.185 33.002 31.823 -0.010 0.000 0.991 575 V HN 0.842 nan 8.190 nan 0.000 0.437 576 A N 3.866 126.716 122.820 0.049 0.000 2.356 576 A HA 0.941 5.261 4.320 0.000 0.000 0.323 576 A C -0.225 177.464 177.584 0.175 0.000 1.119 576 A CA -0.504 51.554 52.037 0.034 0.000 0.790 576 A CB 1.838 20.706 19.000 -0.220 0.000 1.273 576 A HN 0.669 nan 8.150 nan 0.000 0.452 577 S N -0.167 115.687 115.700 0.256 0.000 2.570 577 S HA 0.807 5.277 4.470 0.000 0.000 0.286 577 S C -1.558 173.371 174.600 0.548 0.000 1.099 577 S CA -0.282 58.126 58.200 0.347 0.000 0.913 577 S CB 1.338 64.697 63.200 0.264 0.000 1.085 577 S HN 0.774 nan 8.310 nan 0.000 0.480 578 F N 1.863 122.023 119.950 0.351 0.000 2.574 578 F HA 0.431 4.958 4.527 0.000 0.000 0.313 578 F C -1.703 174.289 175.800 0.320 0.000 1.130 578 F CA -0.791 57.448 58.000 0.399 0.000 0.936 578 F CB 1.481 40.726 39.000 0.409 0.000 1.219 578 F HN 0.392 nan 8.300 nan 0.000 0.445 579 D N 4.648 124.751 120.400 -0.494 0.000 2.427 579 D HA 0.439 5.079 4.640 0.000 0.000 0.226 579 D C 0.285 176.159 176.300 -0.710 0.000 1.076 579 D CA 0.102 53.892 54.000 -0.350 0.000 0.849 579 D CB 1.690 42.494 40.800 0.006 0.000 1.052 579 D HN 0.769 nan 8.370 nan 0.000 0.515 580 G N 1.536 110.008 108.800 -0.547 0.000 3.134 580 G HA2 0.284 4.244 3.960 0.000 0.000 0.158 580 G HA3 0.284 4.244 3.960 0.000 0.000 0.158 580 G C 0.026 174.853 174.900 -0.123 0.000 1.334 580 G CA -0.549 44.240 45.100 -0.519 0.000 1.001 580 G HN 0.235 nan 8.290 nan 0.000 0.600 581 R N -0.476 119.949 120.500 -0.125 0.000 2.570 581 R HA 0.417 4.757 4.340 0.000 0.000 0.277 581 R C 1.228 177.587 176.300 0.099 0.000 1.039 581 R CA 1.853 57.999 56.100 0.077 0.000 1.065 581 R CB 0.606 30.971 30.300 0.108 0.000 0.964 581 R HN 1.186 nan 8.270 nan 0.000 0.428 582 G N 1.076 109.947 108.800 0.119 0.000 2.308 582 G HA2 -0.329 3.631 3.960 0.000 0.000 0.221 582 G HA3 -0.329 3.631 3.960 0.000 0.000 0.221 582 G C 0.052 174.982 174.900 0.050 0.000 1.032 582 G CA 0.107 45.254 45.100 0.079 0.000 0.623 582 G HN 0.811 nan 8.290 nan 0.000 0.506 583 S N 0.820 116.558 115.700 0.062 0.000 2.569 583 S HA 0.548 5.018 4.470 0.000 0.000 0.274 583 S C 0.952 175.565 174.600 0.022 0.000 1.353 583 S CA 0.641 58.883 58.200 0.069 0.000 1.023 583 S CB 1.548 64.813 63.200 0.109 0.000 0.876 583 S HN 1.743 nan 8.310 nan 0.000 0.540 584 G N -0.507 108.274 108.800 -0.031 0.000 2.642 584 G HA2 0.492 4.452 3.960 0.000 0.000 0.291 584 G HA3 0.492 4.452 3.960 0.000 0.000 0.291 584 G C -0.867 173.885 174.900 -0.246 0.000 1.345 584 G CA -1.049 43.868 45.100 -0.305 0.000 1.043 584 G HN 0.945 nan 8.290 nan 0.000 0.528 585 Y N -2.261 118.045 120.300 0.009 0.000 4.409 585 Y HA -0.213 4.337 4.550 0.000 0.000 0.228 585 Y C 1.404 177.299 175.900 -0.009 0.000 1.108 585 Y CA 1.115 59.220 58.100 0.008 0.000 1.955 585 Y CB -2.068 36.417 38.460 0.041 0.000 1.615 585 Y HN 0.521 nan 8.280 nan 0.000 0.665 586 Q N -0.263 119.512 119.800 -0.041 0.000 2.093 586 Q HA 0.490 4.830 4.340 0.000 0.000 0.217 586 Q C 0.892 176.676 176.000 -0.361 0.000 0.785 586 Q CA 0.228 55.996 55.803 -0.059 0.000 1.038 586 Q CB 1.647 30.392 28.738 0.012 0.000 1.190 586 Q HN 0.581 nan 8.270 nan 0.000 0.468 587 G N 0.686 109.137 108.800 -0.581 0.000 2.570 587 G HA2 -0.176 3.784 3.960 0.000 0.000 0.686 587 G HA3 -0.176 3.784 3.960 0.000 0.000 0.686 587 G C -0.647 173.862 174.900 -0.651 0.000 1.257 587 G CA -0.633 43.842 45.100 -1.041 0.000 0.846 587 G HN 0.130 nan 8.290 nan 0.000 0.627 588 D N -0.319 119.688 120.400 -0.655 0.000 2.234 588 D HA 0.012 4.652 4.640 0.000 0.000 0.205 588 D C 2.275 178.276 176.300 -0.497 0.000 0.962 588 D CA 1.228 54.793 54.000 -0.725 0.000 0.855 588 D CB 0.091 40.426 40.800 -0.775 0.000 0.951 588 D HN 0.533 nan 8.370 nan 0.000 0.500 589 K N 0.522 120.722 120.400 -0.332 0.000 2.063 589 K HA -0.149 4.171 4.320 0.000 0.000 0.208 589 K C 1.763 178.314 176.600 -0.081 0.000 1.048 589 K CA 1.040 57.234 56.287 -0.155 0.000 0.928 589 K CB 0.028 32.469 32.500 -0.098 0.000 0.713 589 K HN 0.102 nan 8.250 nan 0.000 0.442 590 I N 0.638 121.144 120.570 -0.107 0.000 2.141 590 I HA -0.259 3.911 4.170 0.000 0.000 0.236 590 I C 2.678 178.813 176.117 0.031 0.000 1.071 590 I CA 1.144 62.455 61.300 0.018 0.000 1.345 590 I CB -0.675 37.340 38.000 0.025 0.000 1.066 590 I HN 0.368 nan 8.210 nan 0.000 0.406 591 M N 0.506 120.068 119.600 -0.063 0.000 2.089 591 M HA -0.283 4.197 4.480 0.000 0.000 0.257 591 M C 2.063 178.467 176.300 0.174 0.000 1.071 591 M CA 2.051 57.362 55.300 0.017 0.000 1.096 591 M CB -0.479 32.058 32.600 -0.106 0.000 1.330 591 M HN 0.282 nan 8.290 nan 0.000 0.403 592 H N -0.896 118.079 119.070 -0.160 0.000 2.556 592 H HA 0.138 4.694 4.556 0.000 0.000 0.268 592 H C 1.726 177.067 175.328 0.022 0.000 0.996 592 H CA 0.080 56.034 56.048 -0.157 0.000 1.157 592 H CB 0.066 29.624 29.762 -0.341 0.000 1.355 592 H HN 0.542 nan 8.280 nan 0.000 0.597 593 A N 1.443 124.377 122.820 0.192 0.000 2.178 593 A HA -0.090 4.230 4.320 0.000 0.000 0.218 593 A C 1.974 179.693 177.584 0.225 0.000 1.157 593 A CA 0.886 53.069 52.037 0.242 0.000 0.689 593 A CB -0.638 18.527 19.000 0.276 0.000 0.787 593 A HN 0.600 nan 8.150 nan 0.000 0.465 594 I N -4.099 116.546 120.570 0.124 0.000 4.081 594 I HA 0.216 4.386 4.170 0.000 0.000 0.333 594 I C 0.299 176.377 176.117 -0.064 0.000 1.413 594 I CA -0.567 60.704 61.300 -0.049 0.000 1.110 594 I CB -0.499 37.479 38.000 -0.036 0.000 1.082 594 I HN 0.205 nan 8.210 nan 0.000 0.402 595 N N 2.868 121.604 118.700 0.060 0.000 2.356 595 N HA -0.075 4.665 4.740 0.000 0.000 0.252 595 N C 0.268 175.712 175.510 -0.110 0.000 1.241 595 N CA 0.349 53.442 53.050 0.072 0.000 0.861 595 N CB 0.312 38.839 38.487 0.068 0.000 1.075 595 N HN 0.361 nan 8.380 nan 0.000 0.461 596 R N -0.035 120.381 120.500 -0.141 0.000 4.010 596 R HA -0.211 4.129 4.340 0.000 0.000 0.409 596 R C -0.302 175.784 176.300 -0.358 0.000 1.120 596 R CA 1.702 57.660 56.100 -0.236 0.000 1.244 596 R CB -1.433 28.727 30.300 -0.233 0.000 1.799 596 R HN 0.798 nan 8.270 nan 0.000 0.559 597 R N 0.221 120.532 120.500 -0.314 0.000 2.638 597 R HA 0.299 4.639 4.340 0.000 0.000 0.269 597 R C -0.428 175.769 176.300 -0.172 0.000 1.393 597 R CA -0.654 55.290 56.100 -0.260 0.000 1.531 597 R CB 0.297 30.351 30.300 -0.409 0.000 1.327 597 R HN -0.047 nan 8.270 nan 0.000 0.709 598 L N 0.952 122.066 121.223 -0.182 0.000 2.461 598 L HA 0.279 4.619 4.340 0.000 0.000 0.272 598 L C 1.182 178.157 176.870 0.175 0.000 1.197 598 L CA 1.205 55.995 54.840 -0.082 0.000 0.836 598 L CB 0.631 42.461 42.059 -0.383 0.000 1.105 598 L HN 0.868 nan 8.230 nan 0.000 0.477 599 G N 0.835 109.828 108.800 0.322 0.000 2.136 599 G HA2 -0.286 3.675 3.960 0.000 0.000 0.242 599 G HA3 -0.286 3.675 3.960 0.000 0.000 0.242 599 G C 0.426 175.394 174.900 0.113 0.000 0.989 599 G CA 0.556 45.833 45.100 0.295 0.000 0.682 599 G HN 0.855 nan 8.290 nan 0.000 0.522 600 T N -3.774 110.823 114.554 0.072 0.000 3.066 600 T HA 0.486 4.836 4.350 0.000 0.000 0.176 600 T C 1.682 176.494 174.700 0.186 0.000 0.826 600 T CA 0.934 63.065 62.100 0.052 0.000 1.280 600 T CB -0.049 68.734 68.868 -0.142 0.000 2.214 600 T HN 0.166 nan 8.240 nan 0.000 0.399 601 F N 3.591 123.566 119.950 0.042 0.000 2.154 601 F HA 0.005 4.532 4.527 0.000 0.000 0.301 601 F C 2.796 178.590 175.800 -0.010 0.000 1.087 601 F CA 1.362 59.357 58.000 -0.008 0.000 1.274 601 F CB -0.956 38.025 39.000 -0.031 0.000 1.009 601 F HN 0.590 nan 8.300 nan 0.000 0.485 602 E N 1.248 121.579 120.200 0.218 0.000 2.106 602 E HA -0.147 4.203 4.350 0.000 0.000 0.192 602 E C 2.279 178.967 176.600 0.147 0.000 0.984 602 E CA 1.701 58.197 56.400 0.159 0.000 0.806 602 E CB -1.297 28.498 29.700 0.160 0.000 0.750 602 E HN 0.346 nan 8.360 nan 0.000 0.458 603 V N 0.486 120.471 119.914 0.119 0.000 2.379 603 V HA -0.157 3.963 4.120 0.000 0.000 0.245 603 V C 2.048 178.186 176.094 0.074 0.000 1.044 603 V CA 1.916 64.251 62.300 0.060 0.000 1.036 603 V CB -0.467 31.336 31.823 -0.032 0.000 0.664 603 V HN 0.114 nan 8.190 nan 0.000 0.453 604 E N 0.265 120.523 120.200 0.096 0.000 2.130 604 E HA -0.248 4.102 4.350 0.000 0.000 0.196 604 E C 1.953 178.589 176.600 0.058 0.000 0.998 604 E CA 1.835 58.288 56.400 0.088 0.000 0.806 604 E CB -0.239 29.537 29.700 0.128 0.000 0.738 604 E HN 0.659 nan 8.360 nan 0.000 0.459 605 D N 0.079 120.514 120.400 0.057 0.000 2.178 605 D HA -0.116 4.524 4.640 0.000 0.000 0.202 605 D C 1.976 178.327 176.300 0.085 0.000 0.974 605 D CA 0.676 54.701 54.000 0.042 0.000 0.841 605 D CB -0.055 40.780 40.800 0.059 0.000 0.953 605 D HN 0.092 nan 8.370 nan 0.000 0.478 606 Q N 0.166 120.066 119.800 0.167 0.000 2.079 606 Q HA -0.051 4.289 4.340 0.000 0.000 0.200 606 Q C 2.542 178.629 176.000 0.145 0.000 0.974 606 Q CA 0.556 56.484 55.803 0.209 0.000 0.840 606 Q CB -0.136 28.729 28.738 0.212 0.000 0.898 606 Q HN 0.418 nan 8.270 nan 0.000 0.430 607 I N 0.787 121.442 120.570 0.142 0.000 2.113 607 I HA -0.249 3.921 4.170 0.000 0.000 0.238 607 I C 2.439 178.560 176.117 0.006 0.000 1.070 607 I CA 1.073 62.482 61.300 0.181 0.000 1.332 607 I CB -0.300 37.787 38.000 0.146 0.000 1.044 607 I HN 0.158 nan 8.210 nan 0.000 0.402 608 E N 1.024 121.188 120.200 -0.061 0.000 2.085 608 E HA -0.237 4.113 4.350 0.000 0.000 0.194 608 E C 2.225 178.623 176.600 -0.338 0.000 0.994 608 E CA 1.675 57.987 56.400 -0.146 0.000 0.801 608 E CB -0.176 29.469 29.700 -0.091 0.000 0.743 608 E HN 0.488 nan 8.360 nan 0.000 0.453 609 A N 0.118 122.622 122.820 -0.526 0.000 1.902 609 A HA -0.150 4.170 4.320 0.000 0.000 0.217 609 A C 2.461 179.415 177.584 -1.051 0.000 1.181 609 A CA 2.121 53.535 52.037 -1.038 0.000 0.623 609 A CB -0.854 17.151 19.000 -1.658 0.000 0.818 609 A HN 0.282 nan 8.150 nan 0.000 0.443 610 T N -0.706 113.607 114.554 -0.400 0.000 2.708 610 T HA -0.152 4.198 4.350 0.000 0.000 0.266 610 T C 2.072 176.642 174.700 -0.216 0.000 1.037 610 T CA 1.387 63.442 62.100 -0.075 0.000 1.146 610 T CB -0.260 68.632 68.868 0.040 0.000 0.865 610 T HN 0.476 nan 8.240 nan 0.000 0.435 611 R N 0.801 121.157 120.500 -0.241 0.000 2.112 611 R HA -0.174 4.166 4.340 0.000 0.000 0.242 611 R C 2.697 178.856 176.300 -0.235 0.000 1.137 611 R CA 1.817 57.792 56.100 -0.208 0.000 0.944 611 R CB -0.253 29.949 30.300 -0.163 0.000 0.857 611 R HN 0.531 nan 8.270 nan 0.000 0.435 612 Q N -0.808 118.780 119.800 -0.353 0.000 2.061 612 Q HA -0.201 4.140 4.340 0.000 0.000 0.204 612 Q C 2.086 177.919 176.000 -0.278 0.000 0.984 612 Q CA 1.809 57.401 55.803 -0.353 0.000 0.846 612 Q CB -0.214 28.230 28.738 -0.489 0.000 0.902 612 Q HN 0.285 nan 8.270 nan 0.000 0.421 613 F N 1.063 120.879 119.950 -0.225 0.000 2.069 613 F HA -0.230 4.297 4.527 -0.000 0.000 0.298 613 F C 2.837 178.518 175.800 -0.200 0.000 1.113 613 F CA 1.434 59.308 58.000 -0.210 0.000 1.214 613 F CB -1.404 37.490 39.000 -0.176 0.000 0.978 613 F HN 0.102 nan 8.300 nan 0.000 0.474 614 S N -0.179 115.524 115.700 0.004 0.000 2.440 614 S HA -0.237 4.233 4.470 0.000 0.000 0.240 614 S C 1.559 176.095 174.600 -0.107 0.000 1.014 614 S CA 1.358 59.514 58.200 -0.074 0.000 0.980 614 S CB -0.717 62.409 63.200 -0.123 0.000 0.775 614 S HN 0.489 nan 8.310 nan 0.000 0.499 615 K N 0.060 120.390 120.400 -0.117 0.000 2.387 615 K HA 0.346 4.666 4.320 0.000 0.000 0.198 615 K C 0.107 176.617 176.600 -0.150 0.000 1.022 615 K CA -0.117 56.097 56.287 -0.122 0.000 1.128 615 K CB 0.074 32.509 32.500 -0.108 0.000 0.853 615 K HN 0.463 nan 8.250 nan 0.000 0.523 616 M N -0.548 118.920 119.600 -0.220 0.000 2.288 616 M HA 0.118 4.598 4.480 0.000 0.000 0.334 616 M C 1.636 177.682 176.300 -0.424 0.000 1.150 616 M CA -0.187 54.899 55.300 -0.356 0.000 1.118 616 M CB 1.132 33.389 32.600 -0.572 0.000 1.501 616 M HN 0.161 nan 8.290 nan 0.000 0.462 617 G N 1.811 110.400 108.800 -0.351 0.000 2.545 617 G HA2 -0.248 3.712 3.960 0.000 0.000 0.217 617 G HA3 -0.248 3.712 3.960 0.000 0.000 0.217 617 G C 0.849 175.656 174.900 -0.154 0.000 1.218 617 G CA 0.971 45.958 45.100 -0.188 0.000 0.787 617 G HN 0.818 nan 8.290 nan 0.000 0.571 618 F N 0.737 120.761 119.950 0.124 0.000 2.754 618 F HA 0.464 4.991 4.527 0.000 0.000 0.298 618 F C -0.041 175.915 175.800 0.260 0.000 1.234 618 F CA -1.124 56.998 58.000 0.203 0.000 1.460 618 F CB -0.888 38.300 39.000 0.313 0.000 1.120 618 F HN -0.106 nan 8.300 nan 0.000 0.592 619 V N 0.900 120.814 119.914 0.000 0.000 2.628 619 V HA 0.260 4.380 4.120 0.000 0.000 0.306 619 V C -0.907 175.181 176.094 -0.011 0.000 1.045 619 V CA -0.985 61.351 62.300 0.059 0.000 0.905 619 V CB 1.926 33.713 31.823 -0.060 0.000 0.997 619 V HN 0.097 nan 8.190 nan 0.000 0.436 620 D N 2.257 122.647 120.400 -0.018 0.000 2.443 620 D HA 0.210 4.850 4.640 0.000 0.000 0.221 620 D C 0.843 177.093 176.300 -0.083 0.000 1.097 620 D CA -0.499 53.461 54.000 -0.066 0.000 0.865 620 D CB 1.289 42.031 40.800 -0.096 0.000 1.034 620 D HN 0.638 nan 8.370 nan 0.000 0.511 621 D N 3.043 123.397 120.400 -0.076 0.000 2.351 621 D HA -0.185 4.455 4.640 0.000 0.000 0.216 621 D C 0.914 177.174 176.300 -0.066 0.000 0.968 621 D CA 0.851 54.802 54.000 -0.081 0.000 0.899 621 D CB -0.075 40.676 40.800 -0.083 0.000 0.907 621 D HN 0.413 nan 8.370 nan 0.000 0.514 622 K N -0.389 119.978 120.400 -0.055 0.000 2.487 622 K HA 0.145 4.465 4.320 0.000 0.000 0.192 622 K C 0.271 176.866 176.600 -0.008 0.000 1.027 622 K CA 0.108 56.377 56.287 -0.029 0.000 1.054 622 K CB 0.365 32.849 32.500 -0.028 0.000 0.824 622 K HN 0.044 nan 8.250 nan 0.000 0.510 623 R N 1.048 121.520 120.500 -0.047 0.000 2.818 623 R HA 0.338 4.678 4.340 0.000 0.000 0.258 623 R C -1.157 175.109 176.300 -0.055 0.000 1.797 623 R CA -0.137 55.936 56.100 -0.045 0.000 1.532 623 R CB 0.742 30.877 30.300 -0.274 0.000 1.413 623 R HN -0.016 nan 8.270 nan 0.000 0.622 624 I N 1.204 121.866 120.570 0.154 0.000 2.465 624 I HA 0.624 4.794 4.170 0.000 0.000 0.291 624 I C -0.141 176.256 176.117 0.467 0.000 1.014 624 I CA -0.815 60.608 61.300 0.206 0.000 1.093 624 I CB 2.050 40.013 38.000 -0.062 0.000 1.267 624 I HN 0.371 nan 8.210 nan 0.000 0.431 625 A N 6.936 130.138 122.820 0.638 0.000 2.387 625 A HA 0.930 5.250 4.320 0.000 0.000 0.303 625 A C -1.196 176.764 177.584 0.626 0.000 1.145 625 A CA -0.653 51.741 52.037 0.596 0.000 0.801 625 A CB 2.157 21.365 19.000 0.347 0.000 1.342 625 A HN 0.737 nan 8.150 nan 0.000 0.440 626 I N 0.872 121.749 120.570 0.511 0.000 2.644 626 I HA 0.640 4.810 4.170 0.000 0.000 0.291 626 I C -1.883 174.487 176.117 0.422 0.000 1.180 626 I CA -0.546 60.998 61.300 0.406 0.000 1.040 626 I CB 1.367 39.415 38.000 0.080 0.000 1.255 626 I HN 0.923 nan 8.210 nan 0.000 0.422 627 W N 7.501 128.946 121.300 0.242 0.000 3.033 627 W HA 0.898 5.558 4.660 0.000 0.000 0.336 627 W C -1.258 175.417 176.519 0.260 0.000 1.173 627 W CA -1.106 56.381 57.345 0.237 0.000 1.185 627 W CB 1.306 30.951 29.460 0.309 0.000 1.425 627 W HN 0.791 nan 8.180 nan 0.000 0.536 628 G N 0.867 109.579 108.800 -0.147 0.000 2.623 628 G HA2 0.486 4.446 3.960 0.000 0.000 0.290 628 G HA3 0.486 4.446 3.960 0.000 0.000 0.290 628 G C -2.743 172.098 174.900 -0.098 0.000 1.437 628 G CA -0.738 44.129 45.100 -0.388 0.000 0.798 628 G HN 0.585 nan 8.290 nan 0.000 0.488 629 W N 0.775 121.964 121.300 -0.185 0.000 2.666 629 W HA 0.583 5.243 4.660 -0.000 0.000 0.334 629 W C 0.876 177.457 176.519 0.104 0.000 1.051 629 W CA 0.377 57.705 57.345 -0.028 0.000 1.224 629 W CB 1.912 31.343 29.460 -0.050 0.000 1.405 629 W HN 1.050 nan 8.180 nan 0.000 0.513 630 S N 2.409 118.358 115.700 0.415 0.000 4.139 630 S HA -0.431 4.039 4.470 0.000 0.000 0.603 630 S C 1.210 175.976 174.600 0.276 0.000 1.897 630 S CA 2.005 60.452 58.200 0.412 0.000 4.241 630 S CB -1.807 61.760 63.200 0.613 0.000 0.221 630 S HN 0.707 nan 8.310 nan 0.000 0.488 631 Y N 2.408 122.849 120.300 0.235 0.000 2.207 631 Y HA 0.004 4.554 4.550 -0.000 0.000 0.287 631 Y C 2.383 178.356 175.900 0.121 0.000 1.156 631 Y CA 2.536 60.692 58.100 0.094 0.000 1.182 631 Y CB -1.027 37.313 38.460 -0.200 0.000 0.979 631 Y HN 0.510 nan 8.280 nan 0.000 0.521 632 G N -0.937 108.077 108.800 0.356 0.000 2.418 632 G HA2 -0.252 3.708 3.960 0.000 0.000 0.217 632 G HA3 -0.252 3.708 3.960 0.000 0.000 0.217 632 G C 1.924 176.894 174.900 0.117 0.000 1.158 632 G CA 0.781 46.025 45.100 0.240 0.000 0.771 632 G HN 0.573 nan 8.290 nan 0.000 0.545 633 G N -0.132 108.742 108.800 0.123 0.000 2.418 633 G HA2 -0.257 3.703 3.960 0.000 0.000 0.217 633 G HA3 -0.257 3.703 3.960 0.000 0.000 0.217 633 G C 1.622 176.565 174.900 0.070 0.000 1.158 633 G CA 1.156 46.302 45.100 0.077 0.000 0.771 633 G HN 0.440 nan 8.290 nan 0.000 0.545 634 Y N 1.395 121.622 120.300 -0.123 0.000 2.097 634 Y HA -0.153 4.397 4.550 0.000 0.000 0.282 634 Y C 2.755 178.559 175.900 -0.161 0.000 1.152 634 Y CA 1.770 59.734 58.100 -0.226 0.000 1.136 634 Y CB -0.529 37.641 38.460 -0.483 0.000 0.975 634 Y HN 0.033 nan 8.280 nan 0.000 0.498 635 V N -0.320 119.443 119.914 -0.251 0.000 2.358 635 V HA -0.306 3.814 4.120 0.000 0.000 0.246 635 V C 2.348 178.322 176.094 -0.201 0.000 1.047 635 V CA 2.380 64.511 62.300 -0.282 0.000 1.035 635 V CB -1.184 30.626 31.823 -0.021 0.000 0.658 635 V HN 0.492 nan 8.190 nan 0.000 0.452 636 T N -0.008 114.496 114.554 -0.084 0.000 2.699 636 T HA -0.216 4.134 4.350 0.000 0.000 0.268 636 T C 2.129 176.792 174.700 -0.062 0.000 1.036 636 T CA 2.120 64.191 62.100 -0.049 0.000 1.147 636 T CB -0.247 68.668 68.868 0.077 0.000 0.862 636 T HN 0.536 nan 8.240 nan 0.000 0.446 637 S N 0.872 116.561 115.700 -0.019 0.000 2.371 637 S HA 0.017 4.487 4.470 0.000 0.000 0.224 637 S C 2.100 176.626 174.600 -0.123 0.000 1.029 637 S CA 0.823 59.040 58.200 0.028 0.000 0.978 637 S CB -0.256 62.995 63.200 0.085 0.000 0.833 637 S HN 0.302 nan 8.310 nan 0.000 0.466 638 M N 1.156 120.589 119.600 -0.278 0.000 2.202 638 M HA -0.038 4.442 4.480 0.000 0.000 0.262 638 M C 2.055 178.205 176.300 -0.249 0.000 1.063 638 M CA 1.015 56.132 55.300 -0.305 0.000 1.097 638 M CB -1.386 30.924 32.600 -0.482 0.000 1.382 638 M HN 0.177 nan 8.290 nan 0.000 0.413 639 V N 0.041 119.792 119.914 -0.272 0.000 2.273 639 V HA -0.192 3.928 4.120 0.000 0.000 0.242 639 V C 2.489 178.377 176.094 -0.343 0.000 1.035 639 V CA 1.074 63.193 62.300 -0.302 0.000 1.013 639 V CB -0.645 30.900 31.823 -0.465 0.000 0.652 639 V HN 0.357 nan 8.190 nan 0.000 0.452 640 L N 0.780 121.767 121.223 -0.395 0.000 2.081 640 L HA -0.163 4.177 4.340 0.000 0.000 0.212 640 L C 2.237 178.665 176.870 -0.736 0.000 1.080 640 L CA 1.810 56.369 54.840 -0.468 0.000 0.754 640 L CB -0.887 40.908 42.059 -0.439 0.000 0.893 640 L HN 0.530 nan 8.230 nan 0.000 0.433 641 G N -1.529 106.815 108.800 -0.759 0.000 3.141 641 G HA2 0.214 4.174 3.960 0.000 0.000 0.218 641 G HA3 0.214 4.174 3.960 0.000 0.000 0.218 641 G C 1.449 176.168 174.900 -0.302 0.000 1.170 641 G CA 0.495 45.185 45.100 -0.685 0.000 0.769 641 G HN 0.403 nan 8.290 nan 0.000 0.546 642 A N -0.083 122.599 122.820 -0.230 0.000 2.072 642 A HA 0.448 4.768 4.320 0.000 0.000 0.216 642 A C 2.069 179.606 177.584 -0.080 0.000 1.156 642 A CA 1.292 53.259 52.037 -0.116 0.000 0.701 642 A CB -0.344 18.611 19.000 -0.074 0.000 0.816 642 A HN 1.453 nan 8.150 nan 0.000 0.458 643 G N -0.107 108.634 108.800 -0.098 0.000 2.198 643 G HA2 -0.262 3.698 3.960 0.000 0.000 0.257 643 G HA3 -0.262 3.698 3.960 0.000 0.000 0.257 643 G C 0.811 175.704 174.900 -0.012 0.000 1.042 643 G CA 1.108 46.174 45.100 -0.057 0.000 0.791 643 G HN 1.439 nan 8.290 nan 0.000 0.502 644 S N -0.858 114.853 115.700 0.018 0.000 2.603 644 S HA 0.380 4.850 4.470 0.000 0.000 0.220 644 S C 2.404 177.030 174.600 0.045 0.000 0.967 644 S CA 1.211 59.440 58.200 0.047 0.000 0.920 644 S CB 0.144 63.407 63.200 0.105 0.000 0.773 644 S HN 2.285 nan 8.310 nan 0.000 0.529 645 G N 0.876 109.702 108.800 0.043 0.000 2.249 645 G HA2 -0.355 3.605 3.960 0.000 0.000 0.269 645 G HA3 -0.355 3.605 3.960 0.000 0.000 0.269 645 G C 0.870 175.779 174.900 0.015 0.000 0.979 645 G CA 0.704 45.821 45.100 0.029 0.000 0.644 645 G HN 0.679 nan 8.290 nan 0.000 0.546 646 V N -0.589 119.331 119.914 0.010 0.000 2.548 646 V HA 0.208 4.328 4.120 0.000 0.000 0.249 646 V C 1.204 177.106 176.094 -0.321 0.000 1.055 646 V CA 1.507 63.693 62.300 -0.191 0.000 1.065 646 V CB -0.390 31.228 31.823 -0.341 0.000 0.681 646 V HN 0.306 nan 8.190 nan 0.000 0.462 647 F N -0.283 119.695 119.950 0.047 0.000 2.443 647 F HA 0.423 4.950 4.527 0.000 0.000 0.335 647 F C 1.049 176.906 175.800 0.095 0.000 1.104 647 F CA -0.672 57.382 58.000 0.091 0.000 1.013 647 F CB 1.496 40.553 39.000 0.095 0.000 1.136 647 F HN -0.280 nan 8.300 nan 0.000 0.470 648 K N 1.419 121.996 120.400 0.295 0.000 2.099 648 K HA 0.124 4.444 4.320 0.000 0.000 0.203 648 K C -0.107 176.639 176.600 0.245 0.000 1.047 648 K CA 0.948 57.371 56.287 0.227 0.000 0.963 648 K CB 0.276 32.910 32.500 0.223 0.000 0.759 648 K HN 0.804 nan 8.250 nan 0.000 0.451 649 c N -2.538 116.249 118.600 0.310 0.000 3.323 649 c HA 0.913 5.483 4.570 0.000 0.000 0.324 649 c C -0.162 174.175 174.090 0.412 0.000 1.428 649 c CA -0.706 55.830 56.329 0.345 0.000 1.368 649 c CB 1.076 43.734 42.510 0.246 0.000 1.731 649 c HN 0.383 nan 8.230 nan 0.000 0.455 650 G N -0.130 108.969 108.800 0.498 0.000 2.673 650 G HA2 0.713 4.673 3.960 0.000 0.000 0.292 650 G HA3 0.713 4.673 3.960 0.000 0.000 0.292 650 G C -1.936 173.180 174.900 0.359 0.000 1.450 650 G CA -0.691 44.666 45.100 0.428 0.000 0.837 650 G HN 0.969 nan 8.290 nan 0.000 0.505 651 I N 0.507 121.245 120.570 0.280 0.000 2.498 651 I HA 0.667 4.837 4.170 0.000 0.000 0.290 651 I C 0.109 176.320 176.117 0.156 0.000 1.032 651 I CA -1.039 60.291 61.300 0.050 0.000 1.073 651 I CB 2.355 40.374 38.000 0.032 0.000 1.251 651 I HN 0.667 nan 8.210 nan 0.000 0.426 652 A N 6.039 128.840 122.820 -0.033 0.000 2.319 652 A HA 0.790 5.110 4.320 0.000 0.000 0.310 652 A C -0.904 176.605 177.584 -0.125 0.000 1.152 652 A CA -0.528 51.520 52.037 0.019 0.000 0.783 652 A CB 1.325 20.392 19.000 0.111 0.000 1.184 652 A HN 0.433 nan 8.150 nan 0.000 0.474 653 V N 2.018 121.818 119.914 -0.191 0.000 2.417 653 V HA 0.581 4.701 4.120 0.000 0.000 0.291 653 V C 0.980 176.743 176.094 -0.551 0.000 1.024 653 V CA 0.369 62.359 62.300 -0.516 0.000 0.861 653 V CB 0.968 32.159 31.823 -1.053 0.000 0.985 653 V HN 2.162 nan 8.190 nan 0.000 0.436 654 A N 5.449 127.956 122.820 -0.522 0.000 2.511 654 A HA -0.107 4.213 4.320 0.000 0.000 0.297 654 A C -1.630 175.856 177.584 -0.164 0.000 1.476 654 A CA 0.580 52.234 52.037 -0.638 0.000 0.757 654 A CB -1.631 17.086 19.000 -0.471 0.000 1.072 654 A HN 0.624 nan 8.150 nan 0.000 0.413 655 P HA 0.435 nan 4.420 nan 0.000 0.276 655 P C -0.026 177.269 177.300 -0.010 0.000 1.252 655 P CA -0.267 62.846 63.100 0.022 0.000 0.802 655 P CB 1.268 32.997 31.700 0.047 0.000 1.035 656 V N 1.744 121.557 119.914 -0.169 0.000 2.465 656 V HA 0.127 4.247 4.120 0.000 0.000 0.279 656 V C 1.572 177.486 176.094 -0.301 0.000 1.045 656 V CA 0.549 62.596 62.300 -0.421 0.000 0.938 656 V CB 0.903 32.082 31.823 -1.074 0.000 0.986 656 V HN 0.799 nan 8.190 nan 0.000 0.467 657 S N 3.126 118.709 115.700 -0.195 0.000 2.520 657 S HA 0.296 4.766 4.470 0.000 0.000 0.219 657 S C 0.375 174.879 174.600 -0.160 0.000 1.028 657 S CA -0.245 57.908 58.200 -0.078 0.000 0.921 657 S CB 0.250 63.452 63.200 0.003 0.000 0.844 657 S HN 0.631 nan 8.310 nan 0.000 0.495 658 K N -0.254 119.968 120.400 -0.297 0.000 2.651 658 K HA 0.271 4.591 4.320 0.000 0.000 0.259 658 K C -0.933 175.397 176.600 -0.449 0.000 1.017 658 K CA -0.662 55.358 56.287 -0.445 0.000 0.897 658 K CB 0.535 32.592 32.500 -0.739 0.000 1.262 658 K HN 0.141 nan 8.250 nan 0.000 0.460 659 W N 2.182 123.426 121.300 -0.094 0.000 2.331 659 W HA -0.188 4.472 4.660 -0.000 0.000 0.291 659 W C 1.247 177.881 176.519 0.190 0.000 1.214 659 W CA 1.041 58.408 57.345 0.037 0.000 1.228 659 W CB 0.143 29.569 29.460 -0.057 0.000 1.135 659 W HN 0.748 nan 8.180 nan 0.000 0.537 660 E N -1.177 119.181 120.200 0.264 0.000 2.401 660 E HA -0.200 4.150 4.350 0.000 0.000 0.199 660 E C 1.368 178.083 176.600 0.191 0.000 1.023 660 E CA 0.973 57.476 56.400 0.172 0.000 0.859 660 E CB -0.341 29.342 29.700 -0.027 0.000 0.780 660 E HN 0.387 nan 8.360 nan 0.000 0.523 661 Y N -1.534 118.863 120.300 0.161 0.000 2.490 661 Y HA 0.053 4.603 4.550 -0.000 0.000 0.285 661 Y C 0.731 176.726 175.900 0.158 0.000 1.117 661 Y CA -0.235 57.924 58.100 0.099 0.000 1.262 661 Y CB -0.370 38.090 38.460 0.001 0.000 1.043 661 Y HN 0.025 nan 8.280 nan 0.000 0.553 662 Y N 2.095 122.538 120.300 0.238 0.000 2.295 662 Y HA 0.233 4.783 4.550 0.000 0.000 0.331 662 Y C 0.479 176.574 175.900 0.324 0.000 1.311 662 Y CA -1.950 56.295 58.100 0.242 0.000 1.430 662 Y CB 0.212 38.867 38.460 0.325 0.000 1.339 662 Y HN 0.216 nan 8.280 nan 0.000 0.552 663 D N -0.655 119.470 120.400 -0.458 0.000 2.368 663 D HA 0.102 4.742 4.640 0.000 0.000 0.240 663 D C 0.981 177.243 176.300 -0.063 0.000 1.169 663 D CA 0.347 54.137 54.000 -0.350 0.000 0.906 663 D CB 0.706 41.048 40.800 -0.763 0.000 1.187 663 D HN 0.458 nan 8.370 nan 0.000 0.435 664 S N 0.722 116.392 115.700 -0.050 0.000 2.343 664 S HA -0.219 4.251 4.470 0.000 0.000 0.219 664 S C 2.011 176.627 174.600 0.026 0.000 1.033 664 S CA 1.144 59.368 58.200 0.041 0.000 1.014 664 S CB -1.109 62.118 63.200 0.046 0.000 0.915 664 S HN 0.421 nan 8.310 nan 0.000 0.435 665 V N 0.931 120.796 119.914 -0.081 0.000 2.317 665 V HA -0.216 3.904 4.120 0.000 0.000 0.251 665 V C 2.315 178.318 176.094 -0.152 0.000 1.065 665 V CA 2.444 64.605 62.300 -0.233 0.000 1.049 665 V CB -1.048 30.443 31.823 -0.554 0.000 0.651 665 V HN 0.661 nan 8.190 nan 0.000 0.450 666 Y N 0.911 121.134 120.300 -0.130 0.000 2.201 666 Y HA -0.127 4.423 4.550 -0.000 0.000 0.292 666 Y C 2.678 178.582 175.900 0.008 0.000 1.119 666 Y CA 1.991 60.082 58.100 -0.015 0.000 1.127 666 Y CB -0.503 38.120 38.460 0.271 0.000 1.019 666 Y HN 0.206 nan 8.280 nan 0.000 0.514 667 T N 0.567 115.351 114.554 0.384 0.000 2.708 667 T HA -0.192 4.158 4.350 0.000 0.000 0.266 667 T C 1.598 176.285 174.700 -0.023 0.000 1.037 667 T CA 1.939 64.195 62.100 0.260 0.000 1.146 667 T CB -0.301 68.859 68.868 0.487 0.000 0.865 667 T HN 0.428 nan 8.240 nan 0.000 0.435 668 E N 0.708 120.917 120.200 0.015 0.000 2.085 668 E HA -0.164 4.186 4.350 0.000 0.000 0.194 668 E C 2.371 178.851 176.600 -0.200 0.000 0.994 668 E CA 0.811 57.202 56.400 -0.017 0.000 0.801 668 E CB -0.180 29.544 29.700 0.041 0.000 0.743 668 E HN 0.340 nan 8.360 nan 0.000 0.453 669 R N 0.040 120.291 120.500 -0.415 0.000 2.154 669 R HA -0.219 4.121 4.340 0.000 0.000 0.248 669 R C 1.156 176.938 176.300 -0.864 0.000 1.155 669 R CA 1.723 57.392 56.100 -0.718 0.000 0.979 669 R CB -0.046 29.552 30.300 -1.170 0.000 0.869 669 R HN 0.264 nan 8.270 nan 0.000 0.452 670 Y N -2.760 117.238 120.300 -0.504 0.000 2.444 670 Y HA 0.277 4.828 4.550 0.000 0.000 0.252 670 Y C 1.482 177.149 175.900 -0.388 0.000 1.091 670 Y CA -0.227 57.552 58.100 -0.535 0.000 1.276 670 Y CB 0.625 38.610 38.460 -0.792 0.000 1.170 670 Y HN -0.039 nan 8.280 nan 0.000 0.517 671 M N -0.467 119.005 119.600 -0.214 0.000 2.292 671 M HA 0.390 4.871 4.480 0.000 0.000 0.286 671 M C 1.048 177.355 176.300 0.012 0.000 1.002 671 M CA 0.762 55.926 55.300 -0.227 0.000 1.029 671 M CB 0.043 32.290 32.600 -0.588 0.000 1.537 671 M HN 0.328 nan 8.290 nan 0.000 0.543 672 G N 1.946 110.763 108.800 0.028 0.000 2.601 672 G HA2 -0.221 3.739 3.960 0.000 0.000 0.252 672 G HA3 -0.221 3.739 3.960 0.000 0.000 0.252 672 G C -0.740 174.270 174.900 0.184 0.000 1.294 672 G CA -0.784 44.365 45.100 0.081 0.000 0.912 672 G HN 0.239 nan 8.290 nan 0.000 0.574 673 L N 2.839 124.133 121.223 0.119 0.000 2.326 673 L HA 0.464 4.804 4.340 0.000 0.000 0.278 673 L C -0.926 175.938 176.870 -0.010 0.000 1.092 673 L CA -1.653 53.219 54.840 0.053 0.000 0.810 673 L CB 1.143 43.207 42.059 0.008 0.000 1.153 673 L HN 0.429 nan 8.230 nan 0.000 0.439 674 P HA 0.031 nan 4.420 nan 0.000 0.254 674 P C -0.220 176.911 177.300 -0.282 0.000 1.631 674 P CA -0.139 62.536 63.100 -0.708 0.000 0.861 674 P CB -0.522 30.371 31.700 -1.344 0.000 1.663 675 T N -3.075 111.409 114.554 -0.116 0.000 2.934 675 T HA 0.350 4.700 4.350 0.000 0.000 0.283 675 T C -1.602 173.091 174.700 -0.013 0.000 1.005 675 T CA -2.190 59.876 62.100 -0.058 0.000 1.041 675 T CB 1.290 70.138 68.868 -0.033 0.000 1.042 675 T HN -0.164 nan 8.240 nan 0.000 0.505 676 P HA -0.088 nan 4.420 nan 0.000 0.222 676 P C 1.031 178.347 177.300 0.026 0.000 1.147 676 P CA 0.918 64.027 63.100 0.016 0.000 0.790 676 P CB 0.155 31.860 31.700 0.009 0.000 0.780 677 E N -1.096 119.114 120.200 0.017 0.000 2.478 677 E HA -0.011 4.339 4.350 0.000 0.000 0.194 677 E C 0.905 177.521 176.600 0.027 0.000 1.045 677 E CA 0.359 56.770 56.400 0.019 0.000 0.868 677 E CB -0.115 29.590 29.700 0.009 0.000 0.885 677 E HN 0.246 nan 8.360 nan 0.000 0.505 678 D N 1.249 121.672 120.400 0.038 0.000 3.221 678 D HA 0.072 4.712 4.640 0.000 0.000 0.207 678 D C 0.276 176.632 176.300 0.093 0.000 1.292 678 D CA -0.215 53.816 54.000 0.052 0.000 1.410 678 D CB -0.021 40.807 40.800 0.047 0.000 0.956 678 D HN 0.051 nan 8.370 nan 0.000 0.177 679 N N 0.250 119.038 118.700 0.147 0.000 2.238 679 N HA 0.045 4.785 4.740 0.000 0.000 0.235 679 N C 1.495 177.227 175.510 0.370 0.000 1.209 679 N CA -0.135 53.063 53.050 0.246 0.000 0.879 679 N CB 0.894 39.526 38.487 0.242 0.000 1.136 679 N HN 0.018 nan 8.380 nan 0.000 0.517 680 L N 1.450 122.797 121.223 0.207 0.000 2.034 680 L HA -0.250 4.090 4.340 0.000 0.000 0.217 680 L C 1.341 178.348 176.870 0.228 0.000 1.077 680 L CA 2.058 56.988 54.840 0.151 0.000 0.769 680 L CB -0.499 41.579 42.059 0.031 0.000 0.890 680 L HN 0.171 nan 8.230 nan 0.000 0.435 681 D N -1.375 119.134 120.400 0.182 0.000 2.133 681 D HA -0.245 4.395 4.640 0.000 0.000 0.195 681 D C 2.014 178.348 176.300 0.056 0.000 0.997 681 D CA 1.787 55.847 54.000 0.099 0.000 0.840 681 D CB -0.355 40.479 40.800 0.057 0.000 0.947 681 D HN 0.498 nan 8.370 nan 0.000 0.452 682 Y N -1.010 119.354 120.300 0.107 0.000 2.561 682 Y HA -0.032 4.518 4.550 -0.000 0.000 0.291 682 Y C 1.773 177.708 175.900 0.060 0.000 1.141 682 Y CA 0.282 58.412 58.100 0.049 0.000 1.303 682 Y CB -0.191 38.256 38.460 -0.023 0.000 1.015 682 Y HN 0.056 nan 8.280 nan 0.000 0.547 683 Y N -0.622 119.776 120.300 0.163 0.000 2.231 683 Y HA -0.124 4.426 4.550 0.000 0.000 0.294 683 Y C 2.340 178.301 175.900 0.101 0.000 1.120 683 Y CA 0.929 59.121 58.100 0.153 0.000 1.141 683 Y CB 0.047 38.573 38.460 0.110 0.000 1.022 683 Y HN -0.177 nan 8.280 nan 0.000 0.523 684 R N 0.662 121.300 120.500 0.229 0.000 2.096 684 R HA -0.123 4.217 4.340 0.000 0.000 0.235 684 R C 1.109 177.441 176.300 0.053 0.000 1.127 684 R CA 1.510 57.672 56.100 0.103 0.000 0.968 684 R CB -0.975 29.360 30.300 0.059 0.000 0.861 684 R HN 0.504 nan 8.270 nan 0.000 0.440 685 N N -0.058 118.655 118.700 0.021 0.000 2.251 685 N HA -0.031 4.709 4.740 0.000 0.000 0.217 685 N C 0.043 175.573 175.510 0.032 0.000 1.124 685 N CA 0.227 53.271 53.050 -0.010 0.000 0.843 685 N CB 0.435 38.870 38.487 -0.087 0.000 1.024 685 N HN 0.018 nan 8.380 nan 0.000 0.501 686 S N -1.500 114.263 115.700 0.106 0.000 2.663 686 S HA 0.087 4.557 4.470 0.000 0.000 0.243 686 S C 0.635 175.374 174.600 0.232 0.000 1.009 686 S CA -0.380 57.937 58.200 0.195 0.000 0.988 686 S CB -0.460 62.916 63.200 0.293 0.000 0.896 686 S HN 0.356 nan 8.310 nan 0.000 0.502 687 T N -1.121 113.504 114.554 0.118 0.000 2.816 687 T HA 0.518 4.868 4.350 0.000 0.000 0.282 687 T C 1.286 176.020 174.700 0.057 0.000 0.993 687 T CA -0.432 61.707 62.100 0.066 0.000 0.994 687 T CB 1.063 69.931 68.868 -0.000 0.000 1.025 687 T HN -0.050 nan 8.240 nan 0.000 0.529 688 V N 1.122 121.055 119.914 0.033 0.000 2.446 688 V HA -0.053 4.067 4.120 0.000 0.000 0.244 688 V C 2.691 178.782 176.094 -0.004 0.000 1.039 688 V CA 1.284 63.586 62.300 0.005 0.000 1.045 688 V CB -0.957 30.856 31.823 -0.017 0.000 0.681 688 V HN 0.801 nan 8.190 nan 0.000 0.459 689 M N 1.575 121.157 119.600 -0.030 0.000 2.089 689 M HA -0.235 4.245 4.480 0.000 0.000 0.257 689 M C 2.391 178.685 176.300 -0.011 0.000 1.071 689 M CA 2.445 57.720 55.300 -0.041 0.000 1.096 689 M CB -1.137 31.446 32.600 -0.029 0.000 1.330 689 M HN 0.530 nan 8.290 nan 0.000 0.403 690 S N -0.198 115.503 115.700 0.002 0.000 2.462 690 S HA -0.153 4.317 4.470 0.000 0.000 0.243 690 S C 1.692 176.302 174.600 0.017 0.000 1.003 690 S CA 1.063 59.268 58.200 0.007 0.000 0.970 690 S CB -0.606 62.599 63.200 0.007 0.000 0.762 690 S HN 0.579 nan 8.310 nan 0.000 0.510 691 R N 0.264 120.785 120.500 0.035 0.000 2.468 691 R HA 0.466 4.806 4.340 0.000 0.000 0.280 691 R C 2.070 178.457 176.300 0.145 0.000 0.963 691 R CA 0.416 56.548 56.100 0.053 0.000 1.083 691 R CB -0.119 30.193 30.300 0.020 0.000 1.200 691 R HN 0.455 nan 8.270 nan 0.000 0.541 692 A N 1.535 124.433 122.820 0.131 0.000 1.948 692 A HA -0.255 4.065 4.320 0.000 0.000 0.220 692 A C 1.821 179.526 177.584 0.202 0.000 1.177 692 A CA 1.639 53.773 52.037 0.161 0.000 0.636 692 A CB -0.158 18.830 19.000 -0.020 0.000 0.815 692 A HN 0.183 nan 8.150 nan 0.000 0.449 693 E N 0.503 120.766 120.200 0.105 0.000 2.118 693 E HA -0.141 4.209 4.350 0.000 0.000 0.195 693 E C 1.635 178.278 176.600 0.072 0.000 0.992 693 E CA 1.351 57.799 56.400 0.079 0.000 0.804 693 E CB -0.336 29.390 29.700 0.042 0.000 0.741 693 E HN 0.747 nan 8.360 nan 0.000 0.458 694 N N -0.549 118.166 118.700 0.025 0.000 2.573 694 N HA -0.105 4.635 4.740 0.000 0.000 0.187 694 N C 0.820 176.226 175.510 -0.173 0.000 1.107 694 N CA 0.273 53.273 53.050 -0.084 0.000 0.918 694 N CB -0.068 38.320 38.487 -0.165 0.000 0.966 694 N HN 0.177 nan 8.380 nan 0.000 0.448 695 F N 1.728 121.638 119.950 -0.068 0.000 2.456 695 F HA 0.042 4.569 4.527 0.000 0.000 0.298 695 F C 2.120 177.929 175.800 0.015 0.000 1.104 695 F CA 0.657 58.615 58.000 -0.071 0.000 1.435 695 F CB 0.073 38.983 39.000 -0.149 0.000 1.078 695 F HN -0.116 nan 8.300 nan 0.000 0.546 696 K N 0.113 120.611 120.400 0.163 0.000 2.160 696 K HA -0.249 4.071 4.320 0.000 0.000 0.206 696 K C 1.747 178.405 176.600 0.097 0.000 1.047 696 K CA 1.575 57.941 56.287 0.132 0.000 0.930 696 K CB -0.333 32.223 32.500 0.092 0.000 0.720 696 K HN 0.417 nan 8.250 nan 0.000 0.450 697 Q N 0.355 120.185 119.800 0.051 0.000 2.369 697 Q HA -0.026 4.314 4.340 0.000 0.000 0.206 697 Q C 0.715 176.750 176.000 0.058 0.000 0.963 697 Q CA 0.572 56.396 55.803 0.035 0.000 0.894 697 Q CB 0.230 28.966 28.738 -0.004 0.000 0.965 697 Q HN 0.219 nan 8.270 nan 0.000 0.475 698 V N -3.180 116.782 119.914 0.079 0.000 3.141 698 V HA 0.441 4.561 4.120 0.000 0.000 0.312 698 V C -1.138 175.101 176.094 0.242 0.000 1.157 698 V CA -1.328 61.053 62.300 0.134 0.000 1.041 698 V CB 2.204 34.081 31.823 0.089 0.000 1.071 698 V HN -0.047 nan 8.190 nan 0.000 0.441 699 E N 1.151 121.519 120.200 0.279 0.000 2.200 699 E HA 0.479 4.829 4.350 0.000 0.000 0.283 699 E C -1.855 175.128 176.600 0.637 0.000 1.015 699 E CA -0.307 56.320 56.400 0.378 0.000 0.819 699 E CB 1.787 31.607 29.700 0.199 0.000 1.081 699 E HN 0.692 nan 8.360 nan 0.000 0.397 700 Y N 3.020 123.630 120.300 0.517 0.000 2.442 700 Y HA 0.407 4.957 4.550 -0.000 0.000 0.344 700 Y C -1.632 174.386 175.900 0.198 0.000 0.976 700 Y CA -1.036 57.310 58.100 0.410 0.000 1.040 700 Y CB 1.131 39.839 38.460 0.415 0.000 1.228 700 Y HN 0.447 nan 8.280 nan 0.000 0.451 701 L N 7.847 128.726 121.223 -0.573 0.000 2.319 701 L HA 0.499 4.839 4.340 0.000 0.000 0.281 701 L C -1.611 174.758 176.870 -0.835 0.000 1.005 701 L CA -0.801 53.549 54.840 -0.817 0.000 0.828 701 L CB 1.121 42.341 42.059 -1.399 0.000 1.227 701 L HN 0.686 nan 8.230 nan 0.000 0.415 702 L N 6.672 127.541 121.223 -0.591 0.000 2.276 702 L HA 0.535 4.875 4.340 0.000 0.000 0.286 702 L C -0.653 176.112 176.870 -0.175 0.000 1.024 702 L CA -0.396 54.190 54.840 -0.423 0.000 0.826 702 L CB 1.230 43.143 42.059 -0.243 0.000 1.211 702 L HN 0.591 nan 8.230 nan 0.000 0.422 703 I N 3.726 124.203 120.570 -0.154 0.000 2.603 703 I HA 0.528 4.698 4.170 0.000 0.000 0.300 703 I C -0.584 175.572 176.117 0.066 0.000 1.017 703 I CA -0.779 60.493 61.300 -0.046 0.000 1.098 703 I CB 1.931 39.862 38.000 -0.116 0.000 1.279 703 I HN 0.514 nan 8.210 nan 0.000 0.437 704 H N 2.341 121.488 119.070 0.128 0.000 3.121 704 H HA 0.332 4.888 4.556 0.000 0.000 0.337 704 H C -1.009 174.538 175.328 0.365 0.000 1.198 704 H CA -0.550 55.625 56.048 0.212 0.000 1.274 704 H CB 2.369 32.260 29.762 0.215 0.000 1.954 704 H HN 0.769 nan 8.280 nan 0.000 0.531 705 G N 1.085 110.207 108.800 0.538 0.000 2.353 705 G HA2 0.261 4.221 3.960 0.000 0.000 0.284 705 G HA3 0.261 4.221 3.960 0.000 0.000 0.284 705 G C 1.101 176.216 174.900 0.359 0.000 1.172 705 G CA 0.177 45.528 45.100 0.417 0.000 0.854 705 G HN 0.638 nan 8.290 nan 0.000 0.485 706 T N -0.332 114.243 114.554 0.034 0.000 2.929 706 T HA -0.027 4.323 4.350 0.000 0.000 0.271 706 T C 1.810 176.407 174.700 -0.172 0.000 1.085 706 T CA 1.381 63.283 62.100 -0.330 0.000 1.125 706 T CB 0.118 68.791 68.868 -0.327 0.000 0.874 706 T HN 0.661 nan 8.240 nan 0.000 0.494 707 A N 0.831 123.629 122.820 -0.037 0.000 2.500 707 A HA 0.288 4.608 4.320 0.000 0.000 0.267 707 A C 0.564 178.047 177.584 -0.168 0.000 1.290 707 A CA -0.452 51.518 52.037 -0.112 0.000 0.928 707 A CB -0.182 19.003 19.000 0.308 0.000 1.066 707 A HN 0.370 nan 8.150 nan 0.000 0.516 708 D N 1.631 122.010 120.400 -0.036 0.000 2.349 708 D HA -0.020 4.620 4.640 0.000 0.000 0.266 708 D C 0.369 176.657 176.300 -0.020 0.000 1.293 708 D CA 0.214 54.301 54.000 0.144 0.000 0.926 708 D CB 0.630 41.657 40.800 0.379 0.000 1.090 708 D HN 0.551 nan 8.370 nan 0.000 0.502 709 D N 2.404 122.853 120.400 0.082 0.000 2.348 709 D HA -0.135 4.505 4.640 0.000 0.000 0.211 709 D C 0.931 177.278 176.300 0.080 0.000 0.998 709 D CA -0.098 53.936 54.000 0.056 0.000 0.873 709 D CB 0.388 41.262 40.800 0.122 0.000 0.925 709 D HN 0.218 nan 8.370 nan 0.000 0.524 710 N N 1.055 119.878 118.700 0.205 0.000 2.288 710 N HA -0.065 4.676 4.740 0.000 0.000 0.199 710 N C -0.007 175.502 175.510 -0.002 0.000 1.043 710 N CA 0.526 53.699 53.050 0.204 0.000 0.947 710 N CB 0.058 38.575 38.487 0.051 0.000 1.140 710 N HN -0.120 nan 8.380 nan 0.000 0.490 711 V N 3.092 122.986 119.914 -0.035 0.000 2.322 711 V HA 0.158 4.278 4.120 0.000 0.000 0.258 711 V C -0.259 175.947 176.094 0.187 0.000 1.074 711 V CA -0.294 62.040 62.300 0.057 0.000 0.909 711 V CB -0.981 30.879 31.823 0.062 0.000 1.090 711 V HN 0.322 nan 8.190 nan 0.000 0.486 712 H N 3.112 122.185 119.070 0.005 0.000 3.073 712 H HA -0.102 4.454 4.556 0.000 0.000 0.340 712 H C 0.830 176.116 175.328 -0.070 0.000 1.054 712 H CA 0.080 56.076 56.048 -0.087 0.000 1.372 712 H CB 0.704 30.311 29.762 -0.259 0.000 1.314 712 H HN 0.636 nan 8.280 nan 0.000 0.603 713 F N 2.094 121.958 119.950 -0.143 0.000 2.250 713 F HA -0.242 4.285 4.527 -0.000 0.000 0.301 713 F C 2.558 178.088 175.800 -0.451 0.000 1.077 713 F CA 1.544 59.232 58.000 -0.520 0.000 1.348 713 F CB -0.223 38.604 39.000 -0.289 0.000 1.040 713 F HN 0.648 nan 8.300 nan 0.000 0.509 714 Q N 0.270 119.897 119.800 -0.288 0.000 2.217 714 Q HA -0.305 4.035 4.340 0.000 0.000 0.209 714 Q C 1.961 177.618 176.000 -0.572 0.000 0.988 714 Q CA 2.216 57.777 55.803 -0.404 0.000 0.878 714 Q CB -0.349 28.167 28.738 -0.370 0.000 0.909 714 Q HN 0.620 nan 8.270 nan 0.000 0.424 715 Q N -0.294 119.207 119.800 -0.498 0.000 2.046 715 Q HA -0.103 4.237 4.340 0.000 0.000 0.200 715 Q C 2.309 178.114 176.000 -0.324 0.000 0.975 715 Q CA 1.648 57.250 55.803 -0.336 0.000 0.836 715 Q CB 0.002 28.682 28.738 -0.098 0.000 0.896 715 Q HN 0.327 nan 8.270 nan 0.000 0.428 716 S N 0.674 116.061 115.700 -0.522 0.000 2.387 716 S HA -0.070 4.400 4.470 0.000 0.000 0.226 716 S C 2.062 176.356 174.600 -0.509 0.000 1.026 716 S CA 0.786 58.720 58.200 -0.444 0.000 0.972 716 S CB -0.196 62.721 63.200 -0.473 0.000 0.814 716 S HN 0.471 nan 8.310 nan 0.000 0.477 717 A N 1.761 124.105 122.820 -0.793 0.000 1.873 717 A HA -0.191 4.129 4.320 0.000 0.000 0.218 717 A C 2.134 179.551 177.584 -0.279 0.000 1.193 717 A CA 1.432 53.149 52.037 -0.533 0.000 0.629 717 A CB -0.686 18.003 19.000 -0.518 0.000 0.826 717 A HN 0.394 nan 8.150 nan 0.000 0.447 718 Q N -1.045 118.593 119.800 -0.270 0.000 2.170 718 Q HA -0.148 4.192 4.340 0.000 0.000 0.203 718 Q C 2.099 178.036 176.000 -0.106 0.000 0.976 718 Q CA 1.395 57.116 55.803 -0.137 0.000 0.858 718 Q CB -0.566 28.131 28.738 -0.069 0.000 0.907 718 Q HN 0.620 nan 8.270 nan 0.000 0.433 719 L N 1.160 122.294 121.223 -0.148 0.000 2.017 719 L HA -0.160 4.180 4.340 0.000 0.000 0.208 719 L C 2.338 179.064 176.870 -0.240 0.000 1.073 719 L CA 2.435 57.171 54.840 -0.174 0.000 0.745 719 L CB -1.051 40.902 42.059 -0.177 0.000 0.894 719 L HN 0.214 nan 8.230 nan 0.000 0.432 720 S N -0.735 114.841 115.700 -0.206 0.000 2.370 720 S HA -0.305 4.165 4.470 0.000 0.000 0.226 720 S C 2.115 176.701 174.600 -0.025 0.000 1.033 720 S CA 1.447 59.565 58.200 -0.136 0.000 1.011 720 S CB -0.755 62.503 63.200 0.096 0.000 0.852 720 S HN 0.559 nan 8.310 nan 0.000 0.457 721 K N 1.890 122.270 120.400 -0.033 0.000 2.103 721 K HA -0.030 4.290 4.320 0.000 0.000 0.207 721 K C 2.230 178.819 176.600 -0.017 0.000 1.048 721 K CA 1.221 57.506 56.287 -0.003 0.000 0.930 721 K CB -0.682 31.806 32.500 -0.020 0.000 0.716 721 K HN 0.454 nan 8.250 nan 0.000 0.444 722 A N 0.902 123.681 122.820 -0.068 0.000 1.873 722 A HA -0.103 4.217 4.320 0.000 0.000 0.215 722 A C 2.099 179.630 177.584 -0.088 0.000 1.186 722 A CA 1.365 53.358 52.037 -0.074 0.000 0.616 722 A CB -0.627 18.313 19.000 -0.100 0.000 0.823 722 A HN 0.315 nan 8.150 nan 0.000 0.442 723 L N -0.530 120.579 121.223 -0.190 0.000 2.083 723 L HA -0.152 4.188 4.340 0.000 0.000 0.209 723 L C 2.481 179.401 176.870 0.083 0.000 1.083 723 L CA 0.920 55.645 54.840 -0.190 0.000 0.752 723 L CB -0.527 41.119 42.059 -0.689 0.000 0.899 723 L HN 0.235 nan 8.230 nan 0.000 0.433 724 V N -0.324 119.685 119.914 0.158 0.000 2.407 724 V HA -0.272 3.848 4.120 0.000 0.000 0.248 724 V C 1.856 178.006 176.094 0.094 0.000 1.055 724 V CA 1.762 64.171 62.300 0.181 0.000 1.049 724 V CB -0.484 31.430 31.823 0.152 0.000 0.662 724 V HN 0.455 nan 8.190 nan 0.000 0.455 725 D N 0.223 120.655 120.400 0.054 0.000 2.348 725 D HA 0.023 4.663 4.640 0.000 0.000 0.216 725 D C 1.663 177.985 176.300 0.037 0.000 0.970 725 D CA 1.204 55.226 54.000 0.037 0.000 0.889 725 D CB 0.185 40.997 40.800 0.020 0.000 0.912 725 D HN 0.496 nan 8.370 nan 0.000 0.524 726 A N -0.283 122.563 122.820 0.044 0.000 2.465 726 A HA 0.480 4.800 4.320 0.000 0.000 0.255 726 A C 1.594 179.218 177.584 0.068 0.000 1.274 726 A CA 0.509 52.574 52.037 0.047 0.000 0.920 726 A CB 0.065 19.089 19.000 0.040 0.000 1.033 726 A HN 0.125 nan 8.150 nan 0.000 0.516 727 G N -0.646 108.202 108.800 0.079 0.000 2.203 727 G HA2 -0.209 3.751 3.960 0.000 0.000 0.263 727 G HA3 -0.209 3.751 3.960 0.000 0.000 0.263 727 G C 0.221 175.192 174.900 0.118 0.000 1.012 727 G CA 0.431 45.583 45.100 0.086 0.000 0.749 727 G HN 0.762 nan 8.290 nan 0.000 0.512 728 V N 0.200 120.209 119.914 0.158 0.000 2.607 728 V HA 0.510 4.630 4.120 0.000 0.000 0.289 728 V C 0.424 176.716 176.094 0.329 0.000 1.053 728 V CA -0.136 62.296 62.300 0.220 0.000 0.996 728 V CB 1.789 33.734 31.823 0.205 0.000 0.995 728 V HN 0.402 nan 8.190 nan 0.000 0.476 729 D N 2.853 123.432 120.400 0.299 0.000 2.181 729 D HA 0.721 5.362 4.640 0.000 0.000 0.248 729 D C -0.794 175.752 176.300 0.410 0.000 1.020 729 D CA -0.096 54.043 54.000 0.231 0.000 0.891 729 D CB 1.228 42.093 40.800 0.110 0.000 1.187 729 D HN 0.336 nan 8.370 nan 0.000 0.443 730 F N -0.771 119.264 119.950 0.142 0.000 2.773 730 F HA 0.442 4.969 4.527 -0.000 0.000 0.314 730 F C -1.303 174.577 175.800 0.134 0.000 1.160 730 F CA -1.096 57.025 58.000 0.202 0.000 0.920 730 F CB 0.698 39.859 39.000 0.269 0.000 1.323 730 F HN 0.193 nan 8.300 nan 0.000 0.457 731 Q N 0.436 120.353 119.800 0.195 0.000 2.257 731 Q HA 0.671 5.011 4.340 0.000 0.000 0.262 731 Q C -0.995 175.030 176.000 0.042 0.000 0.997 731 Q CA -0.995 54.831 55.803 0.039 0.000 0.873 731 Q CB 2.331 31.152 28.738 0.138 0.000 1.312 731 Q HN 0.848 nan 8.270 nan 0.000 0.450 732 T N 0.442 114.983 114.554 -0.022 0.000 2.883 732 T HA 0.691 5.041 4.350 0.000 0.000 0.301 732 T C -1.834 172.805 174.700 -0.102 0.000 1.158 732 T CA -0.653 61.445 62.100 -0.004 0.000 1.007 732 T CB 1.409 70.336 68.868 0.098 0.000 1.186 732 T HN 0.483 nan 8.240 nan 0.000 0.499 733 M N 4.332 123.857 119.600 -0.124 0.000 2.215 733 M HA 0.536 5.016 4.480 0.000 0.000 0.251 733 M C -1.901 174.255 176.300 -0.240 0.000 0.987 733 M CA -0.723 54.366 55.300 -0.351 0.000 1.025 733 M CB 0.891 33.220 32.600 -0.451 0.000 2.064 733 M HN 0.750 nan 8.290 nan 0.000 0.473 734 W N 4.543 125.676 121.300 -0.279 0.000 2.359 734 W HA 0.749 5.409 4.660 0.000 0.000 0.344 734 W C -1.931 174.325 176.519 -0.439 0.000 1.170 734 W CA -0.759 56.487 57.345 -0.166 0.000 1.296 734 W CB 0.299 29.690 29.460 -0.116 0.000 1.197 734 W HN 0.612 nan 8.180 nan 0.000 0.618 735 Y N 2.152 122.598 120.300 0.244 0.000 2.488 735 Y HA 0.265 4.815 4.550 -0.000 0.000 0.330 735 Y C 0.342 176.323 175.900 0.134 0.000 1.013 735 Y CA -1.288 56.864 58.100 0.088 0.000 1.304 735 Y CB 1.156 39.626 38.460 0.016 0.000 1.098 735 Y HN 0.445 nan 8.280 nan 0.000 0.498 736 T N 4.718 119.436 114.554 0.273 0.000 2.800 736 T HA -0.061 4.289 4.350 0.000 0.000 0.283 736 T C 0.282 175.021 174.700 0.065 0.000 0.999 736 T CA 0.948 63.112 62.100 0.107 0.000 1.176 736 T CB -0.171 68.712 68.868 0.025 0.000 0.973 736 T HN 0.694 nan 8.240 nan 0.000 0.519 737 D N 0.723 121.130 120.400 0.013 0.000 3.059 737 D HA -0.129 4.511 4.640 0.000 0.000 0.213 737 D C 0.412 176.815 176.300 0.171 0.000 1.144 737 D CA 1.161 55.131 54.000 -0.050 0.000 0.975 737 D CB -0.337 40.230 40.800 -0.388 0.000 1.125 737 D HN 0.566 nan 8.370 nan 0.000 0.412 738 E N 0.860 121.167 120.200 0.178 0.000 2.349 738 E HA 0.342 4.692 4.350 0.000 0.000 0.265 738 E C 0.743 177.480 176.600 0.228 0.000 1.064 738 E CA -0.100 56.417 56.400 0.195 0.000 0.886 738 E CB 1.027 30.823 29.700 0.159 0.000 1.036 738 E HN 0.382 nan 8.360 nan 0.000 0.413 739 D N -1.079 119.468 120.400 0.244 0.000 2.624 739 D HA 0.050 4.690 4.640 0.000 0.000 0.257 739 D C 1.060 177.551 176.300 0.318 0.000 1.167 739 D CA -0.366 53.803 54.000 0.281 0.000 1.086 739 D CB -0.229 40.763 40.800 0.320 0.000 1.210 739 D HN 0.369 nan 8.370 nan 0.000 0.631 740 H N -1.202 118.018 119.070 0.250 0.000 2.431 740 H HA -0.035 4.521 4.556 0.000 0.000 0.297 740 H C 1.899 177.447 175.328 0.366 0.000 1.115 740 H CA 2.523 58.740 56.048 0.282 0.000 1.277 740 H CB -0.455 29.466 29.762 0.265 0.000 1.372 740 H HN 0.516 nan 8.280 nan 0.000 0.516 741 G N -0.566 108.363 108.800 0.216 0.000 2.683 741 G HA2 0.037 3.997 3.960 0.000 0.000 0.213 741 G HA3 0.037 3.997 3.960 0.000 0.000 0.213 741 G C 0.615 175.676 174.900 0.268 0.000 1.142 741 G CA 0.319 45.481 45.100 0.104 0.000 0.793 741 G HN 0.530 nan 8.290 nan 0.000 0.534 742 I N -0.072 120.648 120.570 0.251 0.000 6.697 742 I HA -0.316 3.854 4.170 0.000 0.000 0.126 742 I C 1.595 177.801 176.117 0.148 0.000 1.764 742 I CA 0.115 61.509 61.300 0.157 0.000 2.245 742 I CB -1.447 36.612 38.000 0.098 0.000 3.404 742 I HN 0.260 nan 8.210 nan 0.000 0.228 743 A N 1.088 123.980 122.820 0.120 0.000 2.275 743 A HA 0.216 4.536 4.320 0.000 0.000 0.212 743 A C 1.305 178.926 177.584 0.061 0.000 1.201 743 A CA 0.658 52.739 52.037 0.073 0.000 0.843 743 A CB 0.036 19.050 19.000 0.022 0.000 0.873 743 A HN 0.718 nan 8.150 nan 0.000 0.492 744 S N 0.086 115.831 115.700 0.076 0.000 2.563 744 S HA -0.012 4.458 4.470 0.000 0.000 0.284 744 S C 0.648 175.295 174.600 0.078 0.000 1.331 744 S CA 0.407 58.649 58.200 0.069 0.000 1.047 744 S CB -0.059 63.185 63.200 0.073 0.000 0.859 744 S HN 0.509 nan 8.310 nan 0.000 0.514 745 N N 1.723 120.459 118.700 0.060 0.000 2.149 745 N HA -0.135 4.605 4.740 0.000 0.000 0.188 745 N C 1.600 177.166 175.510 0.094 0.000 1.019 745 N CA 1.645 54.738 53.050 0.073 0.000 0.857 745 N CB -0.268 38.240 38.487 0.035 0.000 0.997 745 N HN 0.485 nan 8.380 nan 0.000 0.426 746 M N 0.508 120.151 119.600 0.072 0.000 2.156 746 M HA 0.085 4.565 4.480 0.000 0.000 0.264 746 M C 2.303 178.654 176.300 0.084 0.000 1.067 746 M CA 0.887 56.230 55.300 0.073 0.000 1.131 746 M CB -1.310 31.325 32.600 0.058 0.000 1.368 746 M HN 0.188 nan 8.290 nan 0.000 0.416 747 A N -0.786 122.063 122.820 0.048 0.000 1.873 747 A HA -0.226 4.094 4.320 0.000 0.000 0.215 747 A C 2.068 179.632 177.584 -0.033 0.000 1.186 747 A CA 2.219 54.218 52.037 -0.063 0.000 0.616 747 A CB -1.238 17.668 19.000 -0.156 0.000 0.823 747 A HN 0.584 nan 8.150 nan 0.000 0.442 748 H N -0.095 118.968 119.070 -0.012 0.000 2.394 748 H HA -0.201 4.355 4.556 0.000 0.000 0.297 748 H C 2.053 177.475 175.328 0.156 0.000 1.113 748 H CA 2.489 58.592 56.048 0.091 0.000 1.277 748 H CB -0.178 29.631 29.762 0.078 0.000 1.370 748 H HN 0.627 nan 8.280 nan 0.000 0.506 749 Q N -1.300 118.498 119.800 -0.003 0.000 2.062 749 Q HA -0.141 4.199 4.340 0.000 0.000 0.196 749 Q C 2.258 178.266 176.000 0.014 0.000 0.967 749 Q CA 1.055 56.827 55.803 -0.053 0.000 0.832 749 Q CB -0.213 28.528 28.738 0.005 0.000 0.899 749 Q HN 0.621 nan 8.270 nan 0.000 0.442 750 H N 1.090 120.148 119.070 -0.019 0.000 2.319 750 H HA -0.115 4.442 4.556 0.000 0.000 0.299 750 H C 2.016 177.372 175.328 0.045 0.000 1.092 750 H CA 1.468 57.540 56.048 0.040 0.000 1.302 750 H CB -0.130 29.700 29.762 0.113 0.000 1.373 750 H HN 0.268 nan 8.280 nan 0.000 0.497 751 I N 0.071 120.713 120.570 0.119 0.000 2.361 751 I HA -0.318 3.853 4.170 0.000 0.000 0.251 751 I C 1.692 177.615 176.117 -0.324 0.000 1.133 751 I CA 1.221 62.493 61.300 -0.047 0.000 1.413 751 I CB -0.226 37.545 38.000 -0.381 0.000 1.073 751 I HN 0.149 nan 8.210 nan 0.000 0.424 752 Y N 0.726 120.863 120.300 -0.273 0.000 2.286 752 Y HA -0.144 4.406 4.550 0.000 0.000 0.293 752 Y C 2.705 178.416 175.900 -0.315 0.000 1.124 752 Y CA 1.726 59.535 58.100 -0.486 0.000 1.178 752 Y CB -0.717 37.441 38.460 -0.502 0.000 1.010 752 Y HN 0.100 nan 8.280 nan 0.000 0.536 753 T N -1.448 113.064 114.554 -0.071 0.000 2.746 753 T HA -0.254 4.096 4.350 0.000 0.000 0.267 753 T C 1.577 176.218 174.700 -0.099 0.000 1.039 753 T CA 1.989 64.019 62.100 -0.116 0.000 1.142 753 T CB -0.491 68.302 68.868 -0.124 0.000 0.866 753 T HN 0.414 nan 8.240 nan 0.000 0.444 754 H N 0.741 119.726 119.070 -0.142 0.000 2.353 754 H HA 0.126 4.682 4.556 0.000 0.000 0.300 754 H C 2.142 177.470 175.328 -0.001 0.000 1.090 754 H CA 1.464 57.483 56.048 -0.048 0.000 1.327 754 H CB -0.237 29.481 29.762 -0.074 0.000 1.383 754 H HN 0.257 nan 8.280 nan 0.000 0.508 755 M N -0.842 118.685 119.600 -0.122 0.000 2.200 755 M HA -0.128 4.352 4.480 0.000 0.000 0.265 755 M C 2.332 178.703 176.300 0.118 0.000 1.066 755 M CA 1.321 56.533 55.300 -0.146 0.000 1.127 755 M CB 0.125 32.415 32.600 -0.516 0.000 1.379 755 M HN 0.224 nan 8.290 nan 0.000 0.420 756 S N -0.607 115.196 115.700 0.170 0.000 2.368 756 S HA -0.151 4.319 4.470 0.000 0.000 0.225 756 S C 1.696 176.384 174.600 0.147 0.000 1.030 756 S CA 0.962 59.362 58.200 0.333 0.000 0.999 756 S CB -0.549 62.868 63.200 0.362 0.000 0.844 756 S HN 0.455 nan 8.310 nan 0.000 0.459 757 H N 0.310 119.425 119.070 0.076 0.000 2.267 757 H HA -0.056 4.500 4.556 0.000 0.000 0.297 757 H C 1.983 177.306 175.328 -0.008 0.000 1.080 757 H CA 1.506 57.558 56.048 0.007 0.000 1.278 757 H CB -0.953 28.767 29.762 -0.070 0.000 1.365 757 H HN 0.440 nan 8.280 nan 0.000 0.489 758 F N 1.081 120.993 119.950 -0.064 0.000 2.087 758 F HA -0.238 4.289 4.527 0.000 0.000 0.299 758 F C 2.624 178.375 175.800 -0.082 0.000 1.100 758 F CA 1.165 59.102 58.000 -0.105 0.000 1.226 758 F CB -0.546 38.356 39.000 -0.163 0.000 0.983 758 F HN 0.038 nan 8.300 nan 0.000 0.479 759 L N 0.187 121.481 121.223 0.118 0.000 2.083 759 L HA -0.230 4.110 4.340 0.000 0.000 0.209 759 L C 2.463 179.175 176.870 -0.263 0.000 1.083 759 L CA 1.453 56.205 54.840 -0.147 0.000 0.752 759 L CB -0.499 41.527 42.059 -0.055 0.000 0.899 759 L HN 0.155 nan 8.230 nan 0.000 0.433 760 K N -0.570 119.802 120.400 -0.047 0.000 2.057 760 K HA -0.167 4.153 4.320 0.000 0.000 0.206 760 K C 2.004 178.610 176.600 0.010 0.000 1.050 760 K CA 0.898 57.207 56.287 0.038 0.000 0.935 760 K CB -0.219 32.345 32.500 0.105 0.000 0.715 760 K HN 0.363 nan 8.250 nan 0.000 0.439 761 Q N 0.784 120.545 119.800 -0.064 0.000 2.030 761 Q HA -0.181 4.160 4.340 0.000 0.000 0.204 761 Q C 2.460 178.393 176.000 -0.113 0.000 0.986 761 Q CA 1.271 57.017 55.803 -0.096 0.000 0.843 761 Q CB -1.316 27.323 28.738 -0.166 0.000 0.904 761 Q HN 0.387 nan 8.270 nan 0.000 0.420 762 c N 0.391 118.841 118.600 -0.249 0.000 2.398 762 c HA -0.149 4.421 4.570 0.000 0.000 0.276 762 c C 2.293 176.452 174.090 0.114 0.000 1.222 762 c CA 0.499 56.723 56.329 -0.175 0.000 1.746 762 c CB -1.170 41.130 42.510 -0.350 0.000 2.039 762 c HN 0.386 nan 8.230 nan 0.000 0.470 763 F N 1.962 121.894 119.950 -0.030 0.000 2.802 763 F HA 0.170 4.698 4.527 0.000 0.000 0.300 763 F C 1.777 177.571 175.800 -0.010 0.000 1.168 763 F CA 0.821 58.819 58.000 -0.003 0.000 1.433 763 F CB -1.290 37.718 39.000 0.012 0.000 1.115 763 F HN 0.349 nan 8.300 nan 0.000 0.582 764 S N 0.274 116.070 115.700 0.160 0.000 3.635 764 S HA -0.207 4.263 4.470 0.000 0.000 0.328 764 S C 0.140 174.788 174.600 0.080 0.000 1.135 764 S CA 0.096 58.345 58.200 0.081 0.000 0.942 764 S CB -2.247 60.987 63.200 0.057 0.000 0.930 764 S HN 0.239 nan 8.310 nan 0.000 0.512 765 L N 2.042 123.332 121.223 0.112 0.000 2.325 765 L HA 0.456 4.796 4.340 0.000 0.000 0.279 765 L C -1.067 175.851 176.870 0.079 0.000 1.054 765 L CA -2.177 52.721 54.840 0.098 0.000 0.804 765 L CB 0.405 42.546 42.059 0.138 0.000 1.200 765 L HN 0.037 nan 8.230 nan 0.000 0.436 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.138 63.100 0.064 0.000 0.800 766 P CB 0.000 31.731 31.700 0.051 0.000 0.726