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 2ajc_1_A 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 58.243 58.200 0.072 0.000 1.107 39 S CB 0.000 63.248 63.200 0.080 0.000 0.593 40 R N 2.152 122.688 120.500 0.060 0.000 2.424 40 R HA 0.214 4.157 4.340 -0.662 0.000 0.300 40 R C -0.110 176.218 176.300 0.046 0.000 0.730 40 R CA 0.174 56.295 56.100 0.035 0.000 0.969 40 R CB 0.267 30.579 30.300 0.020 0.000 1.669 40 R HN 0.763 nan 8.270 nan 0.000 0.500 41 R N -0.831 119.715 120.500 0.078 0.000 2.674 41 R HA 0.729 4.672 4.340 -0.662 0.000 0.266 41 R C -0.281 176.093 176.300 0.123 0.000 1.016 41 R CA -0.420 55.739 56.100 0.099 0.000 1.062 41 R CB 1.232 31.604 30.300 0.120 0.000 1.142 41 R HN 0.023 nan 8.270 nan 0.000 0.517 42 T N -2.046 112.594 114.554 0.143 0.000 2.938 42 T HA 0.243 4.196 4.350 -0.662 0.000 0.285 42 T C -0.860 173.987 174.700 0.246 0.000 1.028 42 T CA -0.760 61.447 62.100 0.178 0.000 1.005 42 T CB 0.921 69.886 68.868 0.162 0.000 1.157 42 T HN 0.543 nan 8.240 nan 0.000 0.550 43 Y N 2.633 123.022 120.300 0.148 0.000 2.486 43 Y HA 0.402 4.555 4.550 -0.662 0.000 0.348 43 Y C 0.888 176.966 175.900 0.297 0.000 1.000 43 Y CA -0.342 57.878 58.100 0.201 0.000 1.253 43 Y CB -0.121 38.411 38.460 0.121 0.000 1.140 43 Y HN 1.010 nan 8.280 nan 0.000 0.526 44 T N 2.645 117.167 114.554 -0.054 0.000 2.881 44 T HA 0.158 4.111 4.350 -0.662 0.000 0.278 44 T C 0.954 175.507 174.700 -0.245 0.000 0.982 44 T CA -0.770 61.336 62.100 0.009 0.000 0.989 44 T CB 1.247 70.113 68.868 -0.003 0.000 1.058 44 T HN 0.671 nan 8.240 nan 0.000 0.529 45 L N 1.115 122.014 121.223 -0.541 0.000 2.083 45 L HA 0.021 3.964 4.340 -0.662 0.000 0.209 45 L C 2.573 179.283 176.870 -0.266 0.000 1.083 45 L CA 2.124 56.528 54.840 -0.728 0.000 0.752 45 L CB -1.517 39.993 42.059 -0.915 0.000 0.899 45 L HN 0.959 nan 8.230 nan 0.000 0.433 46 T N -0.557 113.876 114.554 -0.201 0.000 2.788 46 T HA -0.147 3.806 4.350 -0.662 0.000 0.268 46 T C 1.483 176.104 174.700 -0.133 0.000 1.044 46 T CA 1.390 63.412 62.100 -0.130 0.000 1.139 46 T CB -0.330 68.485 68.868 -0.089 0.000 0.867 46 T HN 0.405 nan 8.240 nan 0.000 0.454 47 D N 0.181 120.471 120.400 -0.182 0.000 2.104 47 D HA -0.099 4.144 4.640 -0.662 0.000 0.194 47 D C 1.758 177.996 176.300 -0.102 0.000 0.994 47 D CA 1.111 54.998 54.000 -0.188 0.000 0.830 47 D CB -0.374 40.225 40.800 -0.336 0.000 0.959 47 D HN 0.419 nan 8.370 nan 0.000 0.452 48 Y N 1.551 121.688 120.300 -0.271 0.000 2.133 48 Y HA -0.108 4.044 4.550 -0.663 0.000 0.287 48 Y C 2.248 178.180 175.900 0.052 0.000 1.134 48 Y CA 1.212 59.337 58.100 0.041 0.000 1.133 48 Y CB -0.630 37.900 38.460 0.116 0.000 0.987 48 Y HN -0.108 nan 8.280 nan 0.000 0.502 49 L N 0.035 121.093 121.223 -0.274 0.000 2.083 49 L HA -0.191 3.752 4.340 -0.662 0.000 0.209 49 L C 1.846 178.620 176.870 -0.161 0.000 1.083 49 L CA 1.431 56.095 54.840 -0.293 0.000 0.752 49 L CB -0.435 41.531 42.059 -0.156 0.000 0.899 49 L HN 0.107 nan 8.230 nan 0.000 0.433 50 K N -0.484 119.848 120.400 -0.115 0.000 2.374 50 K HA 0.181 4.104 4.320 -0.662 0.000 0.196 50 K C 0.629 177.193 176.600 -0.061 0.000 1.023 50 K CA 0.034 56.275 56.287 -0.077 0.000 1.103 50 K CB 0.572 33.030 32.500 -0.071 0.000 0.848 50 K HN 0.055 nan 8.250 nan 0.000 0.528 51 S N 1.121 116.795 115.700 -0.043 0.000 3.631 51 S HA -0.148 3.925 4.470 -0.662 0.000 0.366 51 S C 1.320 175.934 174.600 0.024 0.000 0.993 51 S CA 0.994 59.218 58.200 0.039 0.000 1.167 51 S CB -1.859 61.355 63.200 0.023 0.000 0.909 51 S HN 0.639 nan 8.310 nan 0.000 0.478 52 T N -2.135 112.393 114.554 -0.043 0.000 2.759 52 T HA -0.040 3.913 4.350 -0.662 0.000 0.269 52 T C 0.439 174.936 174.700 -0.339 0.000 1.042 52 T CA 0.984 62.933 62.100 -0.252 0.000 1.140 52 T CB -0.386 68.214 68.868 -0.447 0.000 0.864 52 T HN 0.405 nan 8.240 nan 0.000 0.455 53 F N 2.215 122.269 119.950 0.174 0.000 2.334 53 F HA 0.607 4.736 4.527 -0.662 0.000 0.367 53 F C 0.508 176.416 175.800 0.180 0.000 1.115 53 F CA -1.544 56.573 58.000 0.196 0.000 1.116 53 F CB 0.895 40.070 39.000 0.292 0.000 1.230 53 F HN -0.105 nan 8.300 nan 0.000 0.484 54 R N 2.272 122.918 120.500 0.244 0.000 2.298 54 R HA 0.525 4.468 4.340 -0.662 0.000 0.310 54 R C -1.354 175.071 176.300 0.208 0.000 1.068 54 R CA -0.257 55.954 56.100 0.184 0.000 0.957 54 R CB 0.694 31.048 30.300 0.090 0.000 1.003 54 R HN 0.453 nan 8.270 nan 0.000 0.454 55 V N 6.173 126.229 119.914 0.236 0.000 2.364 55 V HA 0.291 4.014 4.120 -0.662 0.000 0.272 55 V C 0.201 176.417 176.094 0.204 0.000 1.036 55 V CA -0.560 61.898 62.300 0.263 0.000 0.880 55 V CB 1.165 33.205 31.823 0.362 0.000 0.991 55 V HN 0.707 nan 8.190 nan 0.000 0.460 56 K N 4.762 125.220 120.400 0.097 0.000 2.118 56 K HA 0.672 4.595 4.320 -0.662 0.000 0.264 56 K C -0.682 175.882 176.600 -0.061 0.000 1.000 56 K CA -0.193 56.024 56.287 -0.117 0.000 0.929 56 K CB 1.381 33.798 32.500 -0.138 0.000 1.021 56 K HN 0.597 nan 8.250 nan 0.000 0.463 57 F N -1.029 118.847 119.950 -0.124 0.000 2.706 57 F HA 0.515 4.645 4.527 -0.661 0.000 0.328 57 F C -1.259 174.206 175.800 -0.557 0.000 1.123 57 F CA -1.403 56.291 58.000 -0.509 0.000 0.978 57 F CB 0.751 39.655 39.000 -0.160 0.000 1.404 57 F HN 0.347 nan 8.300 nan 0.000 0.497 58 Y N 0.705 120.556 120.300 -0.747 0.000 2.373 58 Y HA 0.517 4.670 4.550 -0.662 0.000 0.327 58 Y C -1.094 174.771 175.900 -0.059 0.000 1.036 58 Y CA -0.799 57.087 58.100 -0.357 0.000 1.265 58 Y CB 1.387 39.523 38.460 -0.539 0.000 1.108 58 Y HN 0.756 nan 8.280 nan 0.000 0.471 59 T N 7.283 121.958 114.554 0.201 0.000 2.767 59 T HA 0.611 4.564 4.350 -0.662 0.000 0.288 59 T C -0.787 174.020 174.700 0.178 0.000 0.963 59 T CA -0.415 61.807 62.100 0.204 0.000 1.019 59 T CB 0.386 69.372 68.868 0.197 0.000 0.923 59 T HN 0.511 nan 8.240 nan 0.000 0.468 60 L N 1.445 122.709 121.223 0.067 0.000 2.327 60 L HA 0.760 4.703 4.340 -0.662 0.000 0.258 60 L C -0.773 176.057 176.870 -0.067 0.000 1.024 60 L CA -1.096 53.726 54.840 -0.030 0.000 0.825 60 L CB 1.549 43.314 42.059 -0.489 0.000 1.386 60 L HN 0.431 nan 8.230 nan 0.000 0.417 61 Q N 0.748 120.542 119.800 -0.009 0.000 2.320 61 Q HA 0.393 4.335 4.340 -0.662 0.000 0.268 61 Q C -1.765 174.269 176.000 0.056 0.000 1.023 61 Q CA -0.252 55.582 55.803 0.050 0.000 0.744 61 Q CB 1.589 30.403 28.738 0.127 0.000 1.246 61 Q HN 0.647 nan 8.270 nan 0.000 0.462 62 W N 3.754 125.168 121.300 0.190 0.000 2.181 62 W HA 0.151 4.413 4.660 -0.662 0.000 0.335 62 W C 1.230 177.837 176.519 0.146 0.000 1.310 62 W CA -0.168 57.293 57.345 0.193 0.000 1.226 62 W CB 0.517 30.085 29.460 0.180 0.000 1.155 62 W HN 0.678 nan 8.180 nan 0.000 0.565 63 I N -0.178 120.613 120.570 0.368 0.000 4.557 63 I HA 0.334 4.106 4.170 -0.662 0.000 0.333 63 I C 0.397 176.613 176.117 0.166 0.000 1.332 63 I CA -0.177 61.246 61.300 0.205 0.000 1.240 63 I CB 0.100 38.149 38.000 0.082 0.000 1.312 63 I HN 0.236 nan 8.210 nan 0.000 0.457 64 S N 0.495 116.316 115.700 0.201 0.000 2.752 64 S HA 0.297 4.370 4.470 -0.662 0.000 0.284 64 S C -0.129 174.571 174.600 0.168 0.000 1.189 64 S CA 0.092 58.363 58.200 0.118 0.000 0.835 64 S CB 1.219 64.388 63.200 -0.050 0.000 1.192 64 S HN 0.232 nan 8.310 nan 0.000 0.506 65 D N -0.053 120.459 120.400 0.188 0.000 2.371 65 D HA -0.030 4.213 4.640 -0.662 0.000 0.221 65 D C 1.083 177.593 176.300 0.350 0.000 0.986 65 D CA 1.347 55.476 54.000 0.216 0.000 0.899 65 D CB -0.530 40.405 40.800 0.225 0.000 0.902 65 D HN 0.816 nan 8.370 nan 0.000 0.530 66 H N -1.947 117.276 119.070 0.255 0.000 3.480 66 H HA 0.429 4.588 4.556 -0.662 0.000 0.257 66 H C -0.732 174.720 175.328 0.207 0.000 1.196 66 H CA -0.483 55.695 56.048 0.217 0.000 1.100 66 H CB -0.180 29.681 29.762 0.166 0.000 1.683 66 H HN 0.059 nan 8.280 nan 0.000 0.702 67 E N 1.123 121.350 120.200 0.045 0.000 2.317 67 E HA 0.452 4.405 4.350 -0.662 0.000 0.270 67 E C -1.562 175.183 176.600 0.243 0.000 0.885 67 E CA -1.218 55.194 56.400 0.021 0.000 0.760 67 E CB 2.827 32.422 29.700 -0.175 0.000 1.227 67 E HN 0.300 nan 8.360 nan 0.000 0.434 68 Y N -0.517 119.777 120.300 -0.009 0.000 2.562 68 Y HA 0.625 4.778 4.550 -0.662 0.000 0.345 68 Y C -1.697 174.202 175.900 -0.002 0.000 1.045 68 Y CA -1.402 56.607 58.100 -0.151 0.000 1.028 68 Y CB 0.864 38.905 38.460 -0.698 0.000 1.297 68 Y HN 0.346 nan 8.280 nan 0.000 0.463 69 L N 3.638 125.015 121.223 0.257 0.000 2.322 69 L HA 0.538 4.481 4.340 -0.662 0.000 0.279 69 L C -1.261 175.888 176.870 0.465 0.000 1.036 69 L CA -1.005 53.984 54.840 0.249 0.000 0.807 69 L CB 1.563 43.683 42.059 0.103 0.000 1.226 69 L HN 0.799 nan 8.230 nan 0.000 0.433 70 Y N 2.184 122.674 120.300 0.317 0.000 2.479 70 Y HA 0.337 4.490 4.550 -0.662 0.000 0.338 70 Y C -0.951 175.060 175.900 0.185 0.000 1.055 70 Y CA -1.239 56.992 58.100 0.218 0.000 1.023 70 Y CB 1.657 40.211 38.460 0.158 0.000 1.287 70 Y HN 0.415 nan 8.280 nan 0.000 0.447 71 K N 4.772 124.825 120.400 -0.579 0.000 2.276 71 K HA 0.257 4.179 4.320 -0.662 0.000 0.285 71 K C -1.006 175.134 176.600 -0.766 0.000 1.062 71 K CA -0.486 55.531 56.287 -0.450 0.000 0.918 71 K CB 1.020 33.397 32.500 -0.206 0.000 1.055 71 K HN 0.725 nan 8.250 nan 0.000 0.477 72 Q N 3.292 122.897 119.800 -0.326 0.000 2.290 72 Q HA 0.089 4.032 4.340 -0.662 0.000 0.269 72 Q C -1.228 174.731 176.000 -0.069 0.000 1.016 72 Q CA -0.244 55.455 55.803 -0.174 0.000 0.754 72 Q CB 0.993 29.788 28.738 0.096 0.000 1.247 72 Q HN 0.627 nan 8.270 nan 0.000 0.451 73 E N 3.530 123.684 120.200 -0.077 0.000 2.271 73 E HA -0.415 3.538 4.350 -0.662 0.000 0.223 73 E C 0.067 176.646 176.600 -0.034 0.000 1.223 73 E CA 0.814 57.187 56.400 -0.045 0.000 0.704 73 E CB -1.555 28.137 29.700 -0.014 0.000 1.194 73 E HN 1.094 nan 8.360 nan 0.000 0.375 74 N N -0.543 118.122 118.700 -0.059 0.000 2.951 74 N HA -0.275 4.068 4.740 -0.662 0.000 0.213 74 N C -0.235 175.342 175.510 0.111 0.000 0.877 74 N CA 1.677 54.713 53.050 -0.024 0.000 1.042 74 N CB -0.585 37.905 38.487 0.005 0.000 1.005 74 N HN 0.555 nan 8.380 nan 0.000 0.604 75 N N 0.571 119.308 118.700 0.062 0.000 2.443 75 N HA 0.552 4.895 4.740 -0.662 0.000 0.293 75 N C -0.592 174.934 175.510 0.027 0.000 1.159 75 N CA -0.632 52.467 53.050 0.082 0.000 0.904 75 N CB 1.034 39.534 38.487 0.023 0.000 1.214 75 N HN 0.167 nan 8.380 nan 0.000 0.513 76 I N 0.777 121.361 120.570 0.024 0.000 2.325 76 I HA 0.240 4.013 4.170 -0.662 0.000 0.291 76 I C -0.383 175.795 176.117 0.101 0.000 1.019 76 I CA -0.667 60.638 61.300 0.009 0.000 1.302 76 I CB 0.420 38.362 38.000 -0.097 0.000 1.401 76 I HN 0.297 nan 8.210 nan 0.000 0.485 77 L N 6.518 127.828 121.223 0.145 0.000 2.334 77 L HA 0.487 4.430 4.340 -0.662 0.000 0.273 77 L C -0.587 176.354 176.870 0.117 0.000 1.013 77 L CA -0.972 53.927 54.840 0.098 0.000 0.816 77 L CB 2.015 44.096 42.059 0.037 0.000 1.278 77 L HN 0.422 nan 8.230 nan 0.000 0.431 78 L N 2.544 123.755 121.223 -0.020 0.000 2.264 78 L HA 0.486 4.429 4.340 -0.662 0.000 0.287 78 L C -1.017 175.728 176.870 -0.208 0.000 1.039 78 L CA 0.298 55.116 54.840 -0.037 0.000 0.829 78 L CB 0.195 42.291 42.059 0.061 0.000 1.211 78 L HN 0.195 nan 8.230 nan 0.000 0.427 79 F N 3.642 123.380 119.950 -0.354 0.000 2.379 79 F HA 0.391 4.521 4.527 -0.662 0.000 0.332 79 F C 0.852 176.346 175.800 -0.509 0.000 1.096 79 F CA -0.301 57.382 58.000 -0.528 0.000 1.105 79 F CB 1.097 39.476 39.000 -1.034 0.000 1.189 79 F HN 0.535 nan 8.300 nan 0.000 0.515 80 N N 2.195 120.823 118.700 -0.119 0.000 2.501 80 N HA 0.263 4.605 4.740 -0.662 0.000 0.245 80 N C 0.450 175.897 175.510 -0.105 0.000 0.974 80 N CA 0.013 53.031 53.050 -0.054 0.000 0.941 80 N CB 1.645 40.192 38.487 0.099 0.000 1.122 80 N HN 0.784 nan 8.380 nan 0.000 0.507 81 A N 4.720 127.427 122.820 -0.187 0.000 1.884 81 A HA -0.235 3.688 4.320 -0.662 0.000 0.219 81 A C 1.733 179.101 177.584 -0.361 0.000 1.197 81 A CA 1.702 53.581 52.037 -0.264 0.000 0.637 81 A CB -0.518 18.172 19.000 -0.517 0.000 0.827 81 A HN 0.863 nan 8.150 nan 0.000 0.450 82 E N -1.158 118.742 120.200 -0.501 0.000 2.019 82 E HA -0.270 3.683 4.350 -0.662 0.000 0.208 82 E C 1.869 178.306 176.600 -0.272 0.000 1.030 82 E CA 2.044 58.208 56.400 -0.394 0.000 0.856 82 E CB -0.550 28.760 29.700 -0.649 0.000 0.781 82 E HN 0.809 nan 8.360 nan 0.000 0.471 83 Y N -0.677 119.628 120.300 0.009 0.000 2.457 83 Y HA 0.167 4.320 4.550 -0.662 0.000 0.292 83 Y C 1.935 177.842 175.900 0.012 0.000 1.125 83 Y CA 0.596 58.704 58.100 0.013 0.000 1.254 83 Y CB -0.107 38.361 38.460 0.012 0.000 1.012 83 Y HN 0.333 nan 8.280 nan 0.000 0.555 84 G N 0.615 109.494 108.800 0.132 0.000 2.159 84 G HA2 -0.307 3.256 3.960 -0.662 0.000 0.256 84 G HA3 -0.307 3.256 3.960 -0.662 0.000 0.256 84 G C -0.123 174.870 174.900 0.154 0.000 0.977 84 G CA 0.162 45.341 45.100 0.132 0.000 0.652 84 G HN 0.491 nan 8.290 nan 0.000 0.531 85 N N 0.481 119.250 118.700 0.116 0.000 2.479 85 N HA 0.586 4.929 4.740 -0.662 0.000 0.285 85 N C 0.053 175.489 175.510 -0.123 0.000 1.075 85 N CA 0.379 53.440 53.050 0.018 0.000 0.967 85 N CB 1.771 40.270 38.487 0.021 0.000 1.137 85 N HN 0.724 nan 8.380 nan 0.000 0.472 86 S N 0.321 115.834 115.700 -0.311 0.000 2.648 86 S HA 0.793 4.865 4.470 -0.662 0.000 0.305 86 S C -0.422 173.969 174.600 -0.349 0.000 1.094 86 S CA -0.735 57.088 58.200 -0.627 0.000 0.983 86 S CB 1.242 63.530 63.200 -1.520 0.000 1.101 86 S HN 0.894 nan 8.310 nan 0.000 0.514 87 S N 0.295 115.814 115.700 -0.301 0.000 2.541 87 S HA 0.594 4.667 4.470 -0.662 0.000 0.271 87 S C -0.679 173.859 174.600 -0.103 0.000 1.133 87 S CA -1.045 57.065 58.200 -0.151 0.000 0.876 87 S CB 0.364 63.516 63.200 -0.081 0.000 1.105 87 S HN 0.762 nan 8.310 nan 0.000 0.470 88 I N 2.679 123.209 120.570 -0.066 0.000 2.598 88 I HA 0.128 3.901 4.170 -0.662 0.000 0.284 88 I C 0.529 176.661 176.117 0.025 0.000 1.140 88 I CA 0.009 61.294 61.300 -0.025 0.000 1.420 88 I CB 0.271 38.243 38.000 -0.046 0.000 1.387 88 I HN 0.822 nan 8.210 nan 0.000 0.553 89 F N 7.219 127.126 119.950 -0.072 0.000 2.559 89 F HA 0.400 4.530 4.527 -0.662 0.000 0.286 89 F C 0.396 176.163 175.800 -0.056 0.000 1.108 89 F CA 0.191 58.159 58.000 -0.054 0.000 1.436 89 F CB 0.623 39.603 39.000 -0.034 0.000 1.130 89 F HN 0.246 nan 8.300 nan 0.000 0.584 90 L N 1.722 122.979 121.223 0.057 0.000 2.727 90 L HA 0.216 4.159 4.340 -0.662 0.000 0.255 90 L C -0.904 175.897 176.870 -0.115 0.000 0.983 90 L CA -0.530 54.270 54.840 -0.066 0.000 0.945 90 L CB 1.000 43.064 42.059 0.008 0.000 1.242 90 L HN -0.051 nan 8.230 nan 0.000 0.449 91 E N 1.773 121.891 120.200 -0.136 0.000 2.467 91 E HA -0.064 3.889 4.350 -0.662 0.000 0.264 91 E C -0.040 176.453 176.600 -0.179 0.000 1.020 91 E CA 0.171 56.497 56.400 -0.123 0.000 0.945 91 E CB 0.561 30.195 29.700 -0.111 0.000 0.942 91 E HN 0.603 nan 8.360 nan 0.000 0.449 92 N N 0.655 119.311 118.700 -0.074 0.000 2.267 92 N HA -0.103 4.240 4.740 -0.662 0.000 0.266 92 N C 0.488 175.948 175.510 -0.083 0.000 1.295 92 N CA 0.428 53.480 53.050 0.003 0.000 0.914 92 N CB 0.107 38.630 38.487 0.060 0.000 1.083 92 N HN 0.639 nan 8.380 nan 0.000 0.507 93 S N -4.752 110.944 115.700 -0.007 0.000 2.115 93 S HA -0.327 3.746 4.470 -0.662 0.000 0.227 93 S C 1.323 175.836 174.600 -0.145 0.000 1.127 93 S CA 1.811 59.979 58.200 -0.053 0.000 1.645 93 S CB -2.841 60.323 63.200 -0.061 0.000 2.159 93 S HN 0.700 nan 8.310 nan 0.000 0.584 94 T N 1.721 116.092 114.554 -0.306 0.000 3.025 94 T HA 0.166 4.119 4.350 -0.662 0.000 0.270 94 T C 0.257 174.622 174.700 -0.558 0.000 1.126 94 T CA 1.189 63.019 62.100 -0.451 0.000 1.105 94 T CB -0.618 67.875 68.868 -0.626 0.000 0.884 94 T HN 0.537 nan 8.240 nan 0.000 0.522 95 F N 2.477 122.255 119.950 -0.286 0.000 2.423 95 F HA 0.237 4.368 4.527 -0.661 0.000 0.356 95 F C 0.630 176.293 175.800 -0.228 0.000 1.170 95 F CA -1.692 56.110 58.000 -0.330 0.000 1.163 95 F CB 0.338 39.157 39.000 -0.301 0.000 1.318 95 F HN -0.012 nan 8.300 nan 0.000 0.569 96 D N 3.877 124.233 120.400 -0.074 0.000 3.060 96 D HA -0.043 4.200 4.640 -0.662 0.000 0.245 96 D C 0.649 176.902 176.300 -0.077 0.000 1.274 96 D CA 0.215 54.173 54.000 -0.070 0.000 0.864 96 D CB -0.056 40.698 40.800 -0.077 0.000 1.073 96 D HN 0.583 nan 8.370 nan 0.000 0.473 97 E N 0.070 120.231 120.200 -0.065 0.000 2.113 97 E HA -0.257 3.696 4.350 -0.662 0.000 0.203 97 E C -0.285 176.247 176.600 -0.113 0.000 1.346 97 E CA 0.380 56.731 56.400 -0.081 0.000 0.708 97 E CB -2.111 27.550 29.700 -0.066 0.000 1.085 97 E HN 0.534 nan 8.360 nan 0.000 0.338 98 L N 0.460 121.564 121.223 -0.199 0.000 2.780 98 L HA 0.007 3.950 4.340 -0.662 0.000 0.275 98 L C 1.986 178.708 176.870 -0.248 0.000 1.153 98 L CA 1.189 55.851 54.840 -0.297 0.000 0.993 98 L CB -0.672 41.062 42.059 -0.541 0.000 1.319 98 L HN 0.666 nan 8.230 nan 0.000 0.479 99 G N 2.673 111.454 108.800 -0.033 0.000 5.431 99 G HA2 -0.394 3.169 3.960 -0.662 0.000 0.322 99 G HA3 -0.394 3.169 3.960 -0.662 0.000 0.322 99 G C 0.428 175.411 174.900 0.138 0.000 1.370 99 G CA 0.864 46.074 45.100 0.183 0.000 0.963 99 G HN 0.524 nan 8.290 nan 0.000 0.797 100 Y N 0.245 120.590 120.300 0.074 0.000 3.154 100 Y HA 0.686 4.839 4.550 -0.662 0.000 0.179 100 Y C 1.301 177.198 175.900 -0.005 0.000 0.900 100 Y CA 0.825 58.954 58.100 0.049 0.000 1.743 100 Y CB 0.372 38.887 38.460 0.091 0.000 1.362 100 Y HN 0.889 nan 8.280 nan 0.000 0.414 101 S N -1.190 114.639 115.700 0.214 0.000 2.558 101 S HA 0.334 4.406 4.470 -0.662 0.000 0.277 101 S C -1.411 173.208 174.600 0.030 0.000 1.143 101 S CA -0.690 57.532 58.200 0.037 0.000 0.865 101 S CB 0.959 64.160 63.200 0.001 0.000 1.102 101 S HN 0.132 nan 8.310 nan 0.000 0.454 102 T N 4.702 119.195 114.554 -0.101 0.000 2.743 102 T HA 0.165 4.118 4.350 -0.662 0.000 0.290 102 T C 1.424 176.069 174.700 -0.091 0.000 0.908 102 T CA -0.314 61.745 62.100 -0.068 0.000 1.092 102 T CB -0.289 68.444 68.868 -0.225 0.000 0.882 102 T HN 0.645 nan 8.240 nan 0.000 0.531 103 N N 2.535 121.226 118.700 -0.014 0.000 2.398 103 N HA 0.027 4.370 4.740 -0.662 0.000 0.188 103 N C -0.199 175.292 175.510 -0.032 0.000 1.122 103 N CA -0.001 53.003 53.050 -0.076 0.000 0.866 103 N CB 0.484 38.874 38.487 -0.160 0.000 0.970 103 N HN 0.564 nan 8.380 nan 0.000 0.462 104 D N -0.802 119.647 120.400 0.082 0.000 2.751 104 D HA 0.241 4.484 4.640 -0.662 0.000 0.236 104 D C -1.805 174.685 176.300 0.317 0.000 1.196 104 D CA -0.666 53.409 54.000 0.126 0.000 0.741 104 D CB 0.688 41.535 40.800 0.078 0.000 1.474 104 D HN 0.132 nan 8.370 nan 0.000 0.452 105 Y N 0.010 120.482 120.300 0.286 0.000 2.576 105 Y HA 0.855 5.008 4.550 -0.661 0.000 0.346 105 Y C -1.178 174.910 175.900 0.312 0.000 1.018 105 Y CA -1.078 57.254 58.100 0.387 0.000 1.050 105 Y CB 2.098 40.856 38.460 0.497 0.000 1.280 105 Y HN 0.227 nan 8.280 nan 0.000 0.474 106 S N 1.873 117.870 115.700 0.494 0.000 2.720 106 S HA 0.596 4.669 4.470 -0.662 0.000 0.278 106 S C -1.881 173.083 174.600 0.607 0.000 1.172 106 S CA -0.608 57.859 58.200 0.444 0.000 1.019 106 S CB 0.701 64.119 63.200 0.364 0.000 1.049 106 S HN 0.723 nan 8.310 nan 0.000 0.483 107 V N 5.085 125.253 119.914 0.422 0.000 2.465 107 V HA 0.456 4.179 4.120 -0.662 0.000 0.279 107 V C 0.866 176.861 176.094 -0.164 0.000 1.045 107 V CA -0.571 61.856 62.300 0.211 0.000 0.938 107 V CB 1.355 33.263 31.823 0.142 0.000 0.986 107 V HN 1.011 nan 8.190 nan 0.000 0.467 108 S N 6.618 121.891 115.700 -0.712 0.000 2.566 108 S HA 0.138 4.210 4.470 -0.662 0.000 0.280 108 S C -1.208 173.121 174.600 -0.453 0.000 1.343 108 S CA -0.619 56.791 58.200 -1.315 0.000 1.036 108 S CB 0.563 62.855 63.200 -1.513 0.000 0.866 108 S HN 0.653 nan 8.310 nan 0.000 0.526 109 P HA -0.153 nan 4.420 nan 0.000 0.216 109 P C 0.672 177.932 177.300 -0.068 0.000 1.150 109 P CA 1.617 64.653 63.100 -0.107 0.000 0.837 109 P CB -0.322 31.338 31.700 -0.065 0.000 0.786 110 D N -1.098 119.255 120.400 -0.078 0.000 2.336 110 D HA -0.057 4.185 4.640 -0.662 0.000 0.229 110 D C 0.593 176.889 176.300 -0.008 0.000 1.061 110 D CA -0.209 53.783 54.000 -0.014 0.000 0.875 110 D CB -0.752 40.069 40.800 0.034 0.000 0.904 110 D HN 0.031 nan 8.370 nan 0.000 0.525 111 R N -1.161 119.324 120.500 -0.025 0.000 3.946 111 R HA -0.247 3.696 4.340 -0.662 0.000 0.329 111 R C 0.918 177.197 176.300 -0.035 0.000 1.209 111 R CA 1.219 57.350 56.100 0.052 0.000 0.909 111 R CB -2.418 27.972 30.300 0.150 0.000 1.355 111 R HN 0.343 nan 8.270 nan 0.000 0.539 112 Q N -0.988 118.722 119.800 -0.149 0.000 2.424 112 Q HA 0.186 4.129 4.340 -0.662 0.000 0.204 112 Q C -0.278 175.212 176.000 -0.850 0.000 0.933 112 Q CA 0.678 56.211 55.803 -0.450 0.000 0.929 112 Q CB 0.451 28.926 28.738 -0.439 0.000 1.037 112 Q HN 0.205 nan 8.270 nan 0.000 0.511 113 F N -0.962 118.870 119.950 -0.197 0.000 2.685 113 F HA 0.534 4.664 4.527 -0.662 0.000 0.315 113 F C -0.831 174.966 175.800 -0.005 0.000 1.126 113 F CA -1.127 56.805 58.000 -0.113 0.000 0.950 113 F CB 1.688 40.625 39.000 -0.105 0.000 1.360 113 F HN -0.266 nan 8.300 nan 0.000 0.469 114 I N 2.137 122.917 120.570 0.350 0.000 2.644 114 I HA 0.441 4.213 4.170 -0.662 0.000 0.291 114 I C -1.824 174.369 176.117 0.126 0.000 1.180 114 I CA -0.554 60.909 61.300 0.271 0.000 1.040 114 I CB 1.652 39.726 38.000 0.125 0.000 1.255 114 I HN 0.427 nan 8.210 nan 0.000 0.422 115 L N 7.260 128.675 121.223 0.320 0.000 2.312 115 L HA 0.462 4.405 4.340 -0.662 0.000 0.281 115 L C -1.124 175.869 176.870 0.206 0.000 1.070 115 L CA -0.373 54.570 54.840 0.173 0.000 0.805 115 L CB 1.169 43.296 42.059 0.113 0.000 1.174 115 L HN 0.479 nan 8.230 nan 0.000 0.434 116 F N 1.813 122.016 119.950 0.423 0.000 2.426 116 F HA 0.317 4.446 4.527 -0.662 0.000 0.348 116 F C 0.373 176.406 175.800 0.389 0.000 1.124 116 F CA -0.746 57.495 58.000 0.403 0.000 1.008 116 F CB 1.699 40.900 39.000 0.335 0.000 1.139 116 F HN 0.471 nan 8.300 nan 0.000 0.452 117 E N 4.949 125.438 120.200 0.482 0.000 2.156 117 E HA 0.372 4.325 4.350 -0.662 0.000 0.279 117 E C -1.564 175.129 176.600 0.155 0.000 0.965 117 E CA -0.499 55.954 56.400 0.088 0.000 0.789 117 E CB 1.170 30.951 29.700 0.135 0.000 1.098 117 E HN 0.590 nan 8.360 nan 0.000 0.397 118 Y N 1.719 121.917 120.300 -0.170 0.000 2.744 118 Y HA 0.433 4.587 4.550 -0.661 0.000 0.330 118 Y C -0.223 175.598 175.900 -0.131 0.000 1.263 118 Y CA -1.526 56.524 58.100 -0.083 0.000 1.065 118 Y CB 0.463 38.920 38.460 -0.004 0.000 1.306 118 Y HN 0.630 nan 8.280 nan 0.000 0.459 119 N N -0.740 117.882 118.700 -0.130 0.000 2.776 119 N HA -0.286 4.057 4.740 -0.662 0.000 0.249 119 N C -1.237 174.108 175.510 -0.275 0.000 1.111 119 N CA 0.807 53.643 53.050 -0.357 0.000 0.711 119 N CB -1.572 36.615 38.487 -0.499 0.000 1.065 119 N HN 0.811 nan 8.380 nan 0.000 0.556 120 Y N 0.039 120.167 120.300 -0.287 0.000 2.729 120 Y HA 0.270 4.423 4.550 -0.663 0.000 0.331 120 Y C -0.035 175.751 175.900 -0.190 0.000 1.208 120 Y CA 0.237 58.197 58.100 -0.232 0.000 1.521 120 Y CB 0.509 38.807 38.460 -0.270 0.000 1.233 120 Y HN -0.028 nan 8.280 nan 0.000 0.539 121 V N 8.339 127.907 119.914 -0.577 0.000 2.380 121 V HA 0.174 3.897 4.120 -0.662 0.000 0.286 121 V C -0.170 175.594 176.094 -0.550 0.000 1.015 121 V CA -1.351 60.697 62.300 -0.419 0.000 0.834 121 V CB 1.164 32.833 31.823 -0.256 0.000 1.009 121 V HN 0.729 nan 8.190 nan 0.000 0.428 122 K N 3.715 123.837 120.400 -0.463 0.000 2.414 122 K HA 0.153 4.076 4.320 -0.662 0.000 0.272 122 K C 0.439 176.870 176.600 -0.282 0.000 0.993 122 K CA 0.391 56.505 56.287 -0.287 0.000 0.964 122 K CB 1.088 33.596 32.500 0.012 0.000 0.925 122 K HN 0.803 nan 8.250 nan 0.000 0.487 123 Q N 2.614 122.214 119.800 -0.335 0.000 2.653 123 Q HA 0.181 4.124 4.340 -0.662 0.000 0.212 123 Q C -0.050 175.673 176.000 -0.461 0.000 0.951 123 Q CA -0.455 54.945 55.803 -0.671 0.000 0.535 123 Q CB 0.150 28.318 28.738 -0.950 0.000 3.737 123 Q HN 0.737 nan 8.270 nan 0.000 0.401 124 W N 0.282 121.557 121.300 -0.040 0.000 1.756 124 W HA 0.340 4.600 4.660 -0.667 0.000 0.638 124 W C 1.818 178.309 176.519 -0.046 0.000 1.472 124 W CA -0.422 56.927 57.345 0.008 0.000 1.437 124 W CB -0.213 29.222 29.460 -0.042 0.000 3.368 124 W HN 0.333 nan 8.180 nan 0.000 0.771 125 R N -0.614 119.973 120.500 0.146 0.000 2.092 125 R HA -0.135 3.808 4.340 -0.662 0.000 0.231 125 R C 1.652 177.783 176.300 -0.281 0.000 1.119 125 R CA 1.995 58.008 56.100 -0.145 0.000 0.970 125 R CB -0.466 29.621 30.300 -0.354 0.000 0.864 125 R HN 0.476 nan 8.270 nan 0.000 0.440 126 H N -0.986 118.146 119.070 0.104 0.000 2.800 126 H HA 0.206 4.367 4.556 -0.660 0.000 0.257 126 H C 0.439 175.849 175.328 0.137 0.000 0.967 126 H CA 0.515 56.649 56.048 0.144 0.000 1.192 126 H CB 0.168 29.995 29.762 0.109 0.000 1.441 126 H HN 0.223 nan 8.280 nan 0.000 0.461 127 S N 1.376 117.062 115.700 -0.024 0.000 2.585 127 S HA 0.354 4.427 4.470 -0.662 0.000 0.273 127 S C -0.278 174.164 174.600 -0.264 0.000 1.339 127 S CA -0.419 57.456 58.200 -0.541 0.000 1.028 127 S CB 0.592 62.956 63.200 -1.393 0.000 0.906 127 S HN 0.452 nan 8.310 nan 0.000 0.528 128 Y N -2.195 117.892 120.300 -0.356 0.000 2.732 128 Y HA 0.635 4.787 4.550 -0.663 0.000 0.342 128 Y C -0.821 174.980 175.900 -0.166 0.000 1.203 128 Y CA -0.847 57.032 58.100 -0.367 0.000 1.092 128 Y CB 0.463 38.592 38.460 -0.552 0.000 1.345 128 Y HN 0.899 nan 8.280 nan 0.000 0.458 129 T N 0.016 114.560 114.554 -0.017 0.000 2.932 129 T HA 1.022 4.975 4.350 -0.662 0.000 0.289 129 T C -0.481 174.248 174.700 0.048 0.000 1.039 129 T CA -0.137 61.983 62.100 0.034 0.000 1.024 129 T CB 1.794 70.650 68.868 -0.020 0.000 1.090 129 T HN 1.873 nan 8.240 nan 0.000 0.496 130 A N 0.836 123.671 122.820 0.025 0.000 2.581 130 A HA 0.793 4.716 4.320 -0.662 0.000 0.290 130 A C -0.601 176.755 177.584 -0.379 0.000 1.119 130 A CA -0.947 50.958 52.037 -0.219 0.000 0.670 130 A CB 1.198 20.044 19.000 -0.257 0.000 1.280 130 A HN 0.839 nan 8.150 nan 0.000 0.425 131 S N -0.721 114.541 115.700 -0.731 0.000 2.593 131 S HA 0.800 4.873 4.470 -0.662 0.000 0.297 131 S C -1.601 172.463 174.600 -0.893 0.000 1.112 131 S CA -0.064 57.700 58.200 -0.727 0.000 1.043 131 S CB 0.679 63.260 63.200 -1.032 0.000 1.054 131 S HN 0.435 nan 8.310 nan 0.000 0.516 132 Y N 0.367 120.552 120.300 -0.192 0.000 2.492 132 Y HA 0.457 4.610 4.550 -0.662 0.000 0.346 132 Y C -0.260 175.743 175.900 0.170 0.000 0.997 132 Y CA -0.948 57.171 58.100 0.033 0.000 1.025 132 Y CB 1.649 40.048 38.460 -0.101 0.000 1.263 132 Y HN 0.480 nan 8.280 nan 0.000 0.454 133 D N 2.537 123.214 120.400 0.462 0.000 2.457 133 D HA 0.563 4.806 4.640 -0.662 0.000 0.240 133 D C -0.906 175.545 176.300 0.251 0.000 1.041 133 D CA -0.311 53.899 54.000 0.350 0.000 0.861 133 D CB 2.506 43.553 40.800 0.412 0.000 1.394 133 D HN 0.405 nan 8.370 nan 0.000 0.473 134 I N 1.875 122.553 120.570 0.181 0.000 2.404 134 I HA 0.270 4.043 4.170 -0.662 0.000 0.293 134 I C -0.949 175.315 176.117 0.246 0.000 0.992 134 I CA -0.968 60.431 61.300 0.165 0.000 1.149 134 I CB 1.496 39.561 38.000 0.108 0.000 1.315 134 I HN 0.214 nan 8.210 nan 0.000 0.446 135 Y N 5.346 125.676 120.300 0.049 0.000 2.341 135 Y HA 0.309 4.462 4.550 -0.662 0.000 0.338 135 Y C -0.290 175.680 175.900 0.116 0.000 0.965 135 Y CA -0.797 57.343 58.100 0.066 0.000 1.108 135 Y CB 1.273 39.726 38.460 -0.012 0.000 1.180 135 Y HN 0.504 nan 8.280 nan 0.000 0.458 136 D N 6.482 126.697 120.400 -0.308 0.000 2.336 136 D HA 0.071 4.314 4.640 -0.662 0.000 0.249 136 D C 0.775 176.698 176.300 -0.628 0.000 1.213 136 D CA 0.360 54.095 54.000 -0.441 0.000 0.870 136 D CB 0.930 41.537 40.800 -0.321 0.000 1.076 136 D HN 0.886 nan 8.370 nan 0.000 0.483 137 L N 3.639 124.567 121.223 -0.492 0.000 2.201 137 L HA -0.143 3.800 4.340 -0.662 0.000 0.212 137 L C 2.019 178.674 176.870 -0.359 0.000 1.105 137 L CA 0.471 55.107 54.840 -0.340 0.000 0.775 137 L CB -0.247 41.639 42.059 -0.289 0.000 0.913 137 L HN 0.379 nan 8.230 nan 0.000 0.440 138 N N 0.729 119.177 118.700 -0.421 0.000 2.081 138 N HA -0.124 4.219 4.740 -0.662 0.000 0.191 138 N C 1.645 176.997 175.510 -0.263 0.000 1.053 138 N CA 1.202 54.066 53.050 -0.310 0.000 0.846 138 N CB -0.211 38.093 38.487 -0.306 0.000 1.032 138 N HN 0.282 nan 8.380 nan 0.000 0.431 139 K N 0.927 121.158 120.400 -0.283 0.000 2.442 139 K HA 0.096 4.019 4.320 -0.662 0.000 0.198 139 K C -0.091 176.354 176.600 -0.259 0.000 1.042 139 K CA 0.093 56.245 56.287 -0.225 0.000 0.958 139 K CB 0.094 32.476 32.500 -0.196 0.000 0.766 139 K HN 0.187 nan 8.250 nan 0.000 0.474 140 R N 1.086 121.360 120.500 -0.377 0.000 3.416 140 R HA -0.209 3.734 4.340 -0.662 0.000 0.263 140 R C -0.770 175.226 176.300 -0.507 0.000 1.053 140 R CA 0.646 56.489 56.100 -0.429 0.000 0.705 140 R CB -2.050 28.172 30.300 -0.130 0.000 1.124 140 R HN 0.425 nan 8.270 nan 0.000 0.444 141 Q N -0.045 119.351 119.800 -0.673 0.000 2.399 141 Q HA 0.579 4.522 4.340 -0.662 0.000 0.276 141 Q C -0.502 175.246 176.000 -0.420 0.000 1.098 141 Q CA -1.027 54.554 55.803 -0.370 0.000 0.827 141 Q CB 2.359 30.991 28.738 -0.177 0.000 1.386 141 Q HN 0.191 nan 8.270 nan 0.000 0.443 142 L N 1.916 123.138 121.223 -0.002 0.000 2.312 142 L HA 0.352 4.295 4.340 -0.662 0.000 0.281 142 L C -0.894 176.034 176.870 0.095 0.000 1.070 142 L CA -0.834 54.123 54.840 0.194 0.000 0.805 142 L CB 0.680 42.901 42.059 0.269 0.000 1.174 142 L HN 0.574 nan 8.230 nan 0.000 0.434 143 I N 3.498 124.138 120.570 0.118 0.000 2.517 143 I HA -0.004 3.769 4.170 -0.662 0.000 0.285 143 I C 1.423 177.582 176.117 0.070 0.000 1.106 143 I CA 0.574 61.922 61.300 0.079 0.000 1.402 143 I CB 1.379 39.422 38.000 0.072 0.000 1.399 143 I HN 0.678 nan 8.210 nan 0.000 0.535 144 T N 1.651 116.233 114.554 0.046 0.000 2.990 144 T HA 0.185 4.138 4.350 -0.662 0.000 0.250 144 T C 0.467 175.179 174.700 0.020 0.000 1.041 144 T CA -0.219 61.904 62.100 0.039 0.000 1.010 144 T CB 0.038 68.926 68.868 0.033 0.000 1.003 144 T HN 0.528 nan 8.240 nan 0.000 0.499 145 E N 1.360 121.568 120.200 0.012 0.000 2.235 145 E HA 0.313 4.266 4.350 -0.662 0.000 0.265 145 E C -0.669 175.923 176.600 -0.013 0.000 0.940 145 E CA -0.659 55.741 56.400 -0.001 0.000 0.819 145 E CB 0.881 30.582 29.700 0.002 0.000 1.206 145 E HN 0.085 nan 8.360 nan 0.000 0.409 146 E N 0.458 120.643 120.200 -0.026 0.000 2.252 146 E HA -0.221 3.732 4.350 -0.662 0.000 0.218 146 E C -0.627 175.933 176.600 -0.066 0.000 1.253 146 E CA 0.636 57.011 56.400 -0.042 0.000 0.705 146 E CB -1.590 28.096 29.700 -0.022 0.000 1.172 146 E HN 0.534 nan 8.360 nan 0.000 0.369 147 R N 0.162 120.615 120.500 -0.079 0.000 2.738 147 R HA 0.265 4.208 4.340 -0.662 0.000 0.268 147 R C 1.159 177.339 176.300 -0.201 0.000 1.062 147 R CA -0.644 55.399 56.100 -0.095 0.000 1.158 147 R CB 0.531 30.798 30.300 -0.055 0.000 1.046 147 R HN 0.038 nan 8.270 nan 0.000 0.493 148 I N 3.120 123.548 120.570 -0.236 0.000 2.588 148 I HA 0.081 3.854 4.170 -0.662 0.000 0.283 148 I C -1.726 174.136 176.117 -0.425 0.000 1.119 148 I CA -2.546 58.475 61.300 -0.465 0.000 1.419 148 I CB -0.041 37.708 38.000 -0.419 0.000 1.394 148 I HN 0.356 nan 8.210 nan 0.000 0.562 149 P HA 0.024 nan 4.420 nan 0.000 0.269 149 P C -0.041 177.076 177.300 -0.306 0.000 1.217 149 P CA -0.201 62.522 63.100 -0.628 0.000 0.783 149 P CB 0.471 31.363 31.700 -1.348 0.000 0.898 150 N N 2.367 120.967 118.700 -0.167 0.000 2.530 150 N HA -0.002 4.341 4.740 -0.662 0.000 0.273 150 N C -0.337 175.256 175.510 0.137 0.000 1.173 150 N CA -0.173 52.857 53.050 -0.033 0.000 0.967 150 N CB -0.032 38.457 38.487 0.004 0.000 1.109 150 N HN 0.364 nan 8.380 nan 0.000 0.453 151 N N 0.739 119.483 118.700 0.073 0.000 2.815 151 N HA -0.131 4.212 4.740 -0.662 0.000 0.248 151 N C -1.079 174.583 175.510 0.254 0.000 1.110 151 N CA 0.575 53.699 53.050 0.124 0.000 0.699 151 N CB -1.889 36.680 38.487 0.136 0.000 1.040 151 N HN 0.499 nan 8.380 nan 0.000 0.555 152 T N 0.898 115.593 114.554 0.235 0.000 2.814 152 T HA 0.128 4.081 4.350 -0.662 0.000 0.297 152 T C 1.735 176.584 174.700 0.249 0.000 0.956 152 T CA -0.028 62.242 62.100 0.283 0.000 1.123 152 T CB 1.203 70.163 68.868 0.154 0.000 0.902 152 T HN 0.163 nan 8.240 nan 0.000 0.528 153 Q N 2.199 122.144 119.800 0.242 0.000 2.187 153 Q HA 0.098 4.041 4.340 -0.662 0.000 0.199 153 Q C 0.256 176.431 176.000 0.292 0.000 0.957 153 Q CA 0.656 56.618 55.803 0.265 0.000 0.857 153 Q CB 0.599 29.463 28.738 0.210 0.000 0.929 153 Q HN 0.697 nan 8.270 nan 0.000 0.453 154 W N -0.403 120.880 121.300 -0.030 0.000 3.419 154 W HA 0.545 4.808 4.660 -0.662 0.000 0.298 154 W C -2.303 174.153 176.519 -0.105 0.000 1.260 154 W CA -0.765 56.519 57.345 -0.103 0.000 1.199 154 W CB 1.154 30.501 29.460 -0.188 0.000 1.349 154 W HN -0.090 nan 8.180 nan 0.000 0.557 155 I N 3.980 123.904 120.570 -1.077 0.000 2.841 155 I HA 0.613 4.385 4.170 -0.662 0.000 0.298 155 I C -1.568 173.972 176.117 -0.962 0.000 1.304 155 I CA -0.037 60.775 61.300 -0.813 0.000 1.019 155 I CB 2.560 39.986 38.000 -0.957 0.000 1.282 155 I HN 0.346 nan 8.210 nan 0.000 0.432 156 T N 4.550 118.832 114.554 -0.453 0.000 3.012 156 T HA 0.427 4.380 4.350 -0.662 0.000 0.330 156 T C -1.780 172.917 174.700 -0.005 0.000 1.321 156 T CA -0.304 61.671 62.100 -0.207 0.000 1.067 156 T CB 0.632 69.592 68.868 0.153 0.000 1.235 156 T HN 0.539 nan 8.240 nan 0.000 0.479 157 W N 3.078 124.405 121.300 0.046 0.000 2.184 157 W HA 0.475 4.738 4.660 -0.661 0.000 0.338 157 W C 1.298 177.689 176.519 -0.214 0.000 1.257 157 W CA -0.629 56.694 57.345 -0.036 0.000 1.243 157 W CB 0.727 30.172 29.460 -0.025 0.000 1.122 157 W HN 0.824 nan 8.180 nan 0.000 0.585 158 S N 1.464 116.942 115.700 -0.369 0.000 2.596 158 S HA 0.113 4.186 4.470 -0.662 0.000 0.260 158 S C -1.887 172.516 174.600 -0.328 0.000 1.336 158 S CA -0.884 56.656 58.200 -1.100 0.000 0.993 158 S CB 0.628 62.988 63.200 -1.401 0.000 0.923 158 S HN 0.284 nan 8.310 nan 0.000 0.567 159 P HA 0.066 nan 4.420 nan 0.000 0.223 159 P C 0.167 177.430 177.300 -0.063 0.000 1.151 159 P CA 0.696 63.772 63.100 -0.040 0.000 0.787 159 P CB -0.106 31.602 31.700 0.012 0.000 0.788 160 V N -6.789 113.039 119.914 -0.143 0.000 3.102 160 V HA 0.888 4.611 4.120 -0.662 0.000 0.312 160 V C 0.554 176.537 176.094 -0.184 0.000 1.135 160 V CA -0.365 61.862 62.300 -0.121 0.000 1.022 160 V CB 1.000 32.764 31.823 -0.098 0.000 1.056 160 V HN 0.374 nan 8.190 nan 0.000 0.436 161 G N 1.880 110.587 108.800 -0.155 0.000 2.550 161 G HA2 -0.198 3.365 3.960 -0.662 0.000 0.277 161 G HA3 -0.198 3.365 3.960 -0.662 0.000 0.277 161 G C 0.275 175.062 174.900 -0.188 0.000 1.190 161 G CA 0.992 45.956 45.100 -0.225 0.000 0.971 161 G HN 2.603 nan 8.290 nan 0.000 0.559 162 H N -0.753 118.256 119.070 -0.102 0.000 3.377 162 H HA 0.380 4.539 4.556 -0.662 0.000 0.243 162 H C 0.243 175.662 175.328 0.152 0.000 1.264 162 H CA -0.097 55.906 56.048 -0.075 0.000 1.021 162 H CB -0.361 29.345 29.762 -0.093 0.000 2.781 162 H HN 0.537 nan 8.280 nan 0.000 0.643 163 K N 1.567 121.971 120.400 0.007 0.000 2.180 163 K HA 0.502 4.425 4.320 -0.662 0.000 0.251 163 K C -0.356 176.350 176.600 0.177 0.000 1.014 163 K CA -0.357 55.943 56.287 0.022 0.000 0.913 163 K CB 1.544 33.881 32.500 -0.271 0.000 1.008 163 K HN 0.117 nan 8.250 nan 0.000 0.490 164 L N 0.720 122.068 121.223 0.209 0.000 2.388 164 L HA 0.605 4.548 4.340 -0.662 0.000 0.264 164 L C -1.004 176.073 176.870 0.344 0.000 0.998 164 L CA -0.854 54.079 54.840 0.155 0.000 0.817 164 L CB 2.186 44.187 42.059 -0.097 0.000 1.338 164 L HN 0.713 nan 8.230 nan 0.000 0.414 165 A N 2.221 125.245 122.820 0.340 0.000 2.393 165 A HA 0.861 4.784 4.320 -0.662 0.000 0.306 165 A C -1.703 175.931 177.584 0.083 0.000 1.050 165 A CA -0.385 51.737 52.037 0.141 0.000 0.724 165 A CB 1.364 20.364 19.000 -0.000 0.000 1.248 165 A HN 0.651 nan 8.150 nan 0.000 0.424 166 Y N -0.820 119.465 120.300 -0.025 0.000 2.609 166 Y HA 0.740 4.892 4.550 -0.662 0.000 0.336 166 Y C -1.339 174.600 175.900 0.065 0.000 1.129 166 Y CA -1.593 56.475 58.100 -0.052 0.000 1.040 166 Y CB 0.890 39.254 38.460 -0.161 0.000 1.310 166 Y HN 0.436 nan 8.280 nan 0.000 0.460 167 V N 2.183 122.284 119.914 0.313 0.000 2.459 167 V HA 0.444 4.167 4.120 -0.662 0.000 0.295 167 V C -1.412 174.929 176.094 0.411 0.000 1.029 167 V CA -0.561 61.892 62.300 0.255 0.000 0.874 167 V CB 1.420 33.299 31.823 0.093 0.000 0.985 167 V HN 0.879 nan 8.190 nan 0.000 0.438 168 W N 4.768 126.190 121.300 0.204 0.000 3.259 168 W HA 0.438 4.702 4.660 -0.660 0.000 0.331 168 W C 0.203 176.785 176.519 0.105 0.000 1.144 168 W CA -0.736 56.683 57.345 0.124 0.000 1.227 168 W CB 1.186 30.678 29.460 0.052 0.000 1.371 168 W HN 0.773 nan 8.180 nan 0.000 0.491 169 N N 5.360 123.664 118.700 -0.660 0.000 2.721 169 N HA -0.351 3.992 4.740 -0.662 0.000 0.249 169 N C 0.208 175.554 175.510 -0.274 0.000 1.072 169 N CA 1.141 53.815 53.050 -0.628 0.000 0.710 169 N CB -1.079 36.806 38.487 -1.003 0.000 0.993 169 N HN 0.874 nan 8.380 nan 0.000 0.547 170 N N -1.587 117.023 118.700 -0.150 0.000 2.828 170 N HA -0.170 4.173 4.740 -0.662 0.000 0.248 170 N C -1.337 174.115 175.510 -0.097 0.000 1.044 170 N CA 1.084 54.072 53.050 -0.105 0.000 0.851 170 N CB -0.286 38.086 38.487 -0.193 0.000 1.136 170 N HN 0.417 nan 8.380 nan 0.000 0.572 171 D N 0.322 120.684 120.400 -0.062 0.000 2.433 171 D HA 0.484 4.727 4.640 -0.662 0.000 0.236 171 D C 0.070 176.261 176.300 -0.181 0.000 1.026 171 D CA -0.391 53.497 54.000 -0.185 0.000 0.884 171 D CB 1.686 42.312 40.800 -0.291 0.000 1.384 171 D HN 0.016 nan 8.370 nan 0.000 0.477 172 I N 1.413 121.707 120.570 -0.461 0.000 2.440 172 I HA 0.260 4.033 4.170 -0.662 0.000 0.294 172 I C -0.718 174.957 176.117 -0.737 0.000 0.995 172 I CA -0.436 60.584 61.300 -0.467 0.000 1.306 172 I CB 0.598 38.252 38.000 -0.575 0.000 1.407 172 I HN 0.161 nan 8.210 nan 0.000 0.501 173 Y N 3.745 123.688 120.300 -0.595 0.000 2.512 173 Y HA 0.613 4.765 4.550 -0.662 0.000 0.348 173 Y C -0.403 175.121 175.900 -0.626 0.000 0.990 173 Y CA -0.925 56.758 58.100 -0.695 0.000 1.033 173 Y CB 2.056 39.855 38.460 -1.101 0.000 1.259 173 Y HN 0.109 nan 8.280 nan 0.000 0.461 174 V N 2.813 122.597 119.914 -0.217 0.000 2.604 174 V HA 0.491 4.214 4.120 -0.662 0.000 0.305 174 V C -0.827 175.284 176.094 0.027 0.000 1.043 174 V CA -1.367 60.898 62.300 -0.059 0.000 0.888 174 V CB 2.006 33.830 31.823 0.002 0.000 0.995 174 V HN 0.616 nan 8.190 nan 0.000 0.429 175 K N 3.117 123.579 120.400 0.104 0.000 2.483 175 K HA 0.430 4.353 4.320 -0.662 0.000 0.256 175 K C 0.496 177.167 176.600 0.118 0.000 0.961 175 K CA -0.286 56.065 56.287 0.106 0.000 0.873 175 K CB 1.391 33.961 32.500 0.116 0.000 1.107 175 K HN 0.642 nan 8.250 nan 0.000 0.432 176 N N 1.266 120.025 118.700 0.099 0.000 2.270 176 N HA -0.090 4.253 4.740 -0.662 0.000 0.181 176 N C -0.272 175.304 175.510 0.111 0.000 1.016 176 N CA 0.810 53.914 53.050 0.089 0.000 0.870 176 N CB 0.361 38.887 38.487 0.066 0.000 0.979 176 N HN 0.404 nan 8.380 nan 0.000 0.431 177 E N -0.889 119.363 120.200 0.086 0.000 2.272 177 E HA 0.195 4.148 4.350 -0.662 0.000 0.269 177 E C -1.953 174.615 176.600 -0.054 0.000 0.877 177 E CA -1.984 54.449 56.400 0.055 0.000 0.755 177 E CB 1.999 31.737 29.700 0.063 0.000 1.192 177 E HN -0.166 nan 8.360 nan 0.000 0.422 178 P HA -0.168 nan 4.420 nan 0.000 0.216 178 P C 0.878 178.112 177.300 -0.110 0.000 1.150 178 P CA 1.353 64.303 63.100 -0.250 0.000 0.843 178 P CB 0.316 31.655 31.700 -0.601 0.000 0.787 179 N N -1.395 117.262 118.700 -0.072 0.000 2.398 179 N HA -0.030 4.313 4.740 -0.662 0.000 0.188 179 N C 0.344 175.853 175.510 -0.002 0.000 1.122 179 N CA 0.539 53.580 53.050 -0.014 0.000 0.866 179 N CB -0.322 38.174 38.487 0.014 0.000 0.970 179 N HN 0.108 nan 8.380 nan 0.000 0.462 180 L N 1.601 122.825 121.223 0.001 0.000 2.387 180 L HA 0.280 4.223 4.340 -0.662 0.000 0.266 180 L C 0.780 177.661 176.870 0.019 0.000 1.059 180 L CA -0.391 54.460 54.840 0.017 0.000 0.801 180 L CB 1.619 43.696 42.059 0.031 0.000 1.223 180 L HN 0.183 nan 8.230 nan 0.000 0.456 181 S N 0.705 116.419 115.700 0.024 0.000 2.579 181 S HA 0.214 4.287 4.470 -0.662 0.000 0.275 181 S C 0.231 174.858 174.600 0.046 0.000 1.345 181 S CA -0.571 57.645 58.200 0.027 0.000 1.031 181 S CB 0.817 64.034 63.200 0.028 0.000 0.892 181 S HN 0.643 nan 8.310 nan 0.000 0.529 182 S N 1.177 116.913 115.700 0.060 0.000 2.632 182 S HA 0.443 4.516 4.470 -0.662 0.000 0.271 182 S C -0.426 174.224 174.600 0.083 0.000 1.260 182 S CA -0.729 57.521 58.200 0.082 0.000 1.010 182 S CB 0.909 64.183 63.200 0.125 0.000 0.965 182 S HN 0.954 nan 8.310 nan 0.000 0.534 183 Q N 1.120 120.951 119.800 0.052 0.000 2.333 183 Q HA 0.409 4.352 4.340 -0.662 0.000 0.265 183 Q C -0.557 175.387 176.000 -0.094 0.000 0.989 183 Q CA -0.540 55.275 55.803 0.021 0.000 0.842 183 Q CB 1.267 30.017 28.738 0.021 0.000 1.262 183 Q HN 0.753 nan 8.270 nan 0.000 0.451 184 R N 4.289 124.678 120.500 -0.185 0.000 2.491 184 R HA 0.148 4.090 4.340 -0.662 0.000 0.283 184 R C 0.105 176.115 176.300 -0.482 0.000 1.072 184 R CA -0.019 55.679 56.100 -0.670 0.000 1.048 184 R CB 0.430 30.172 30.300 -0.929 0.000 0.983 184 R HN 0.827 nan 8.270 nan 0.000 0.450 185 I N 1.949 122.137 120.570 -0.635 0.000 3.616 185 I HA 0.020 3.793 4.170 -0.662 0.000 0.296 185 I C 0.854 176.756 176.117 -0.358 0.000 1.226 185 I CA 0.815 61.882 61.300 -0.388 0.000 1.394 185 I CB -0.298 37.444 38.000 -0.431 0.000 1.171 185 I HN 0.697 nan 8.210 nan 0.000 0.442 186 T N -3.892 110.303 114.554 -0.599 0.000 2.906 186 T HA 0.425 4.378 4.350 -0.662 0.000 0.295 186 T C -0.746 173.621 174.700 -0.555 0.000 1.061 186 T CA -0.476 61.395 62.100 -0.382 0.000 1.000 186 T CB 1.983 70.614 68.868 -0.396 0.000 1.103 186 T HN 0.132 nan 8.240 nan 0.000 0.486 187 W N 0.119 121.316 121.300 -0.172 0.000 2.518 187 W HA 0.243 4.506 4.660 -0.662 0.000 0.352 187 W C 1.850 178.319 176.519 -0.083 0.000 0.952 187 W CA -0.058 57.218 57.345 -0.116 0.000 1.624 187 W CB 0.072 29.480 29.460 -0.087 0.000 1.135 187 W HN 0.914 nan 8.180 nan 0.000 0.540 188 T N -2.562 112.035 114.554 0.071 0.000 3.107 188 T HA 0.268 4.221 4.350 -0.662 0.000 0.249 188 T C 1.256 175.948 174.700 -0.013 0.000 1.096 188 T CA 0.227 62.352 62.100 0.041 0.000 1.012 188 T CB -0.178 68.718 68.868 0.047 0.000 0.977 188 T HN 0.020 nan 8.240 nan 0.000 0.527 189 G N 1.376 110.139 108.800 -0.062 0.000 2.265 189 G HA2 0.328 3.891 3.960 -0.662 0.000 0.240 189 G HA3 0.328 3.891 3.960 -0.662 0.000 0.240 189 G C -0.575 174.254 174.900 -0.119 0.000 1.270 189 G CA -0.357 44.678 45.100 -0.109 0.000 0.901 189 G HN 0.542 nan 8.290 nan 0.000 0.507 190 K N 2.251 122.550 120.400 -0.169 0.000 2.588 190 K HA 0.158 4.081 4.320 -0.662 0.000 0.250 190 K C -0.206 176.250 176.600 -0.240 0.000 0.972 190 K CA -0.648 55.544 56.287 -0.157 0.000 0.821 190 K CB 1.619 34.066 32.500 -0.089 0.000 1.249 190 K HN 0.633 nan 8.250 nan 0.000 0.442 191 E N 3.199 123.276 120.200 -0.204 0.000 2.708 191 E HA -0.190 3.762 4.350 -0.662 0.000 0.260 191 E C -0.275 176.240 176.600 -0.141 0.000 0.937 191 E CA 1.204 57.490 56.400 -0.190 0.000 0.953 191 E CB 0.047 29.678 29.700 -0.115 0.000 0.915 191 E HN 0.792 nan 8.360 nan 0.000 0.487 192 N N 1.472 120.102 118.700 -0.117 0.000 2.778 192 N HA -0.274 4.069 4.740 -0.662 0.000 0.249 192 N C 0.158 175.723 175.510 0.091 0.000 1.069 192 N CA 0.538 53.643 53.050 0.092 0.000 0.831 192 N CB -0.409 38.135 38.487 0.095 0.000 1.142 192 N HN 0.263 nan 8.380 nan 0.000 0.573 193 V N -0.822 119.044 119.914 -0.079 0.000 3.279 193 V HA 0.272 3.995 4.120 -0.662 0.000 0.213 193 V C 0.139 176.274 176.094 0.068 0.000 1.335 193 V CA 0.453 62.778 62.300 0.041 0.000 1.317 193 V CB 0.737 32.565 31.823 0.008 0.000 1.209 193 V HN 0.081 nan 8.190 nan 0.000 0.525 194 I N 0.873 121.380 120.570 -0.105 0.000 2.436 194 I HA 0.475 4.248 4.170 -0.662 0.000 0.289 194 I C -1.515 174.523 176.117 -0.132 0.000 1.010 194 I CA -0.636 60.672 61.300 0.014 0.000 1.098 194 I CB 1.201 39.212 38.000 0.019 0.000 1.266 194 I HN 0.221 nan 8.210 nan 0.000 0.434 195 Y N 4.489 124.874 120.300 0.143 0.000 2.328 195 Y HA 0.418 4.570 4.550 -0.664 0.000 0.333 195 Y C 0.290 176.265 175.900 0.124 0.000 0.958 195 Y CA -0.783 57.404 58.100 0.146 0.000 1.167 195 Y CB 1.289 39.896 38.460 0.246 0.000 1.151 195 Y HN 0.408 nan 8.280 nan 0.000 0.470 196 N N 2.141 120.922 118.700 0.135 0.000 2.446 196 N HA 0.389 4.731 4.740 -0.662 0.000 0.265 196 N C 0.763 176.249 175.510 -0.039 0.000 0.975 196 N CA 0.398 53.472 53.050 0.040 0.000 0.928 196 N CB 1.914 40.309 38.487 -0.153 0.000 1.160 196 N HN 0.983 nan 8.380 nan 0.000 0.495 197 G N 0.498 109.318 108.800 0.034 0.000 2.225 197 G HA2 -0.274 3.289 3.960 -0.662 0.000 0.254 197 G HA3 -0.274 3.289 3.960 -0.662 0.000 0.254 197 G C -0.006 174.808 174.900 -0.143 0.000 0.988 197 G CA 0.628 45.684 45.100 -0.073 0.000 0.625 197 G HN 0.687 nan 8.290 nan 0.000 0.527 198 V N -1.787 118.082 119.914 -0.075 0.000 3.078 198 V HA 0.932 4.655 4.120 -0.662 0.000 0.311 198 V C 0.390 176.482 176.094 -0.003 0.000 1.138 198 V CA 0.004 62.119 62.300 -0.308 0.000 1.007 198 V CB 1.401 32.727 31.823 -0.828 0.000 1.045 198 V HN 1.148 nan 8.190 nan 0.000 0.432 199 T N -0.056 114.395 114.554 -0.171 0.000 2.849 199 T HA 0.476 4.429 4.350 -0.662 0.000 0.284 199 T C -0.106 174.292 174.700 -0.503 0.000 1.004 199 T CA -0.063 61.708 62.100 -0.550 0.000 1.021 199 T CB 1.046 69.589 68.868 -0.541 0.000 1.013 199 T HN 1.106 nan 8.240 nan 0.000 0.527 200 D N -0.255 119.620 120.400 -0.874 0.000 2.511 200 D HA 0.051 4.294 4.640 -0.662 0.000 0.276 200 D C 0.949 177.072 176.300 -0.296 0.000 1.220 200 D CA -1.112 52.375 54.000 -0.855 0.000 1.077 200 D CB 0.055 40.388 40.800 -0.778 0.000 1.126 200 D HN 0.697 nan 8.370 nan 0.000 0.583 201 W N 0.056 121.219 121.300 -0.228 0.000 2.333 201 W HA -0.199 4.070 4.660 -0.653 0.000 0.316 201 W C 2.141 178.509 176.519 -0.252 0.000 1.215 201 W CA 2.171 59.401 57.345 -0.191 0.000 1.278 201 W CB -0.440 28.864 29.460 -0.259 0.000 1.154 201 W HN 0.176 nan 8.180 nan 0.000 0.486 202 V N -0.133 119.795 119.914 0.025 0.000 2.548 202 V HA -0.279 3.444 4.120 -0.662 0.000 0.249 202 V C 1.833 177.681 176.094 -0.410 0.000 1.055 202 V CA 1.900 64.100 62.300 -0.167 0.000 1.065 202 V CB -0.712 31.047 31.823 -0.106 0.000 0.681 202 V HN 0.292 nan 8.190 nan 0.000 0.462 203 Y N 0.539 120.531 120.300 -0.514 0.000 2.263 203 Y HA -0.151 4.002 4.550 -0.663 0.000 0.292 203 Y C 2.577 178.134 175.900 -0.572 0.000 1.130 203 Y CA 2.069 59.766 58.100 -0.673 0.000 1.179 203 Y CB -0.019 37.754 38.460 -1.145 0.000 0.998 203 Y HN 0.368 nan 8.280 nan 0.000 0.532 204 E N 0.319 120.315 120.200 -0.341 0.000 2.051 204 E HA -0.286 3.667 4.350 -0.662 0.000 0.192 204 E C 2.007 178.503 176.600 -0.172 0.000 0.991 204 E CA 1.540 57.827 56.400 -0.189 0.000 0.799 204 E CB 0.007 29.634 29.700 -0.121 0.000 0.748 204 E HN 0.411 nan 8.360 nan 0.000 0.449 205 E N 0.215 120.129 120.200 -0.477 0.000 2.072 205 E HA -0.151 3.802 4.350 -0.662 0.000 0.190 205 E C 1.626 178.092 176.600 -0.224 0.000 0.982 205 E CA 1.482 57.615 56.400 -0.445 0.000 0.803 205 E CB 0.177 29.260 29.700 -1.027 0.000 0.755 205 E HN 0.218 nan 8.360 nan 0.000 0.453 206 E N -0.830 119.204 120.200 -0.276 0.000 2.447 206 E HA 0.099 4.052 4.350 -0.662 0.000 0.204 206 E C 1.737 178.238 176.600 -0.165 0.000 0.977 206 E CA 0.388 56.691 56.400 -0.161 0.000 0.950 206 E CB 0.976 30.562 29.700 -0.190 0.000 0.975 206 E HN 0.202 nan 8.360 nan 0.000 0.496 207 V N -0.017 119.762 119.914 -0.224 0.000 2.721 207 V HA 0.030 3.753 4.120 -0.662 0.000 0.236 207 V C 1.615 177.866 176.094 0.262 0.000 1.116 207 V CA 0.692 62.930 62.300 -0.103 0.000 1.148 207 V CB -0.211 31.388 31.823 -0.373 0.000 0.886 207 V HN 0.035 nan 8.190 nan 0.000 0.490 208 F N 0.571 120.519 119.950 -0.003 0.000 2.619 208 F HA 0.303 4.433 4.527 -0.660 0.000 0.293 208 F C 1.688 177.444 175.800 -0.073 0.000 1.119 208 F CA 0.084 58.096 58.000 0.020 0.000 1.445 208 F CB -0.880 38.154 39.000 0.057 0.000 1.119 208 F HN 0.156 nan 8.300 nan 0.000 0.573 209 S N 0.181 115.917 115.700 0.061 0.000 3.682 209 S HA 0.048 4.121 4.470 -0.662 0.000 0.354 209 S C 0.092 174.305 174.600 -0.644 0.000 1.034 209 S CA 0.481 58.570 58.200 -0.186 0.000 1.084 209 S CB -1.626 61.528 63.200 -0.078 0.000 0.903 209 S HN 0.697 nan 8.310 nan 0.000 0.470 210 A N -0.595 122.054 122.820 -0.285 0.000 2.597 210 A HA 0.689 4.612 4.320 -0.662 0.000 0.292 210 A C -0.456 177.151 177.584 0.038 0.000 1.057 210 A CA -0.419 51.499 52.037 -0.198 0.000 0.674 210 A CB 0.270 19.188 19.000 -0.137 0.000 1.278 210 A HN 0.429 nan 8.150 nan 0.000 0.416 211 Y N 1.118 121.311 120.300 -0.178 0.000 2.476 211 Y HA 0.291 4.445 4.550 -0.659 0.000 0.283 211 Y C 1.457 177.145 175.900 -0.353 0.000 1.109 211 Y CA 0.877 58.869 58.100 -0.181 0.000 1.246 211 Y CB 0.118 38.512 38.460 -0.110 0.000 1.068 211 Y HN 0.701 nan 8.280 nan 0.000 0.552 212 S N 0.650 115.921 115.700 -0.715 0.000 2.562 212 S HA 0.488 4.561 4.470 -0.662 0.000 0.281 212 S C 0.233 174.455 174.600 -0.629 0.000 1.333 212 S CA 0.203 57.692 58.200 -1.186 0.000 1.052 212 S CB 0.525 62.489 63.200 -2.060 0.000 0.884 212 S HN 0.439 nan 8.310 nan 0.000 0.506 213 A N 5.412 127.844 122.820 -0.647 0.000 3.045 213 A HA 0.516 4.439 4.320 -0.662 0.000 0.244 213 A C -0.677 176.317 177.584 -0.983 0.000 0.917 213 A CA -0.463 51.214 52.037 -0.599 0.000 1.075 213 A CB -0.004 19.144 19.000 0.248 0.000 1.202 213 A HN 0.707 nan 8.150 nan 0.000 0.486 214 L N 0.406 120.874 121.223 -1.257 0.000 2.408 214 L HA 0.622 4.565 4.340 -0.662 0.000 0.268 214 L C -1.311 175.156 176.870 -0.671 0.000 0.986 214 L CA -0.523 53.939 54.840 -0.630 0.000 0.820 214 L CB 2.134 44.041 42.059 -0.253 0.000 1.303 214 L HN 0.492 nan 8.230 nan 0.000 0.411 215 W N 2.406 123.796 121.300 0.150 0.000 2.728 215 W HA 0.218 4.481 4.660 -0.662 0.000 0.324 215 W C -1.033 175.722 176.519 0.393 0.000 1.012 215 W CA -1.024 56.513 57.345 0.321 0.000 1.279 215 W CB 1.278 30.969 29.460 0.385 0.000 1.289 215 W HN 0.478 nan 8.180 nan 0.000 0.418 216 W N 2.357 123.878 121.300 0.368 0.000 2.137 216 W HA 0.205 4.468 4.660 -0.662 0.000 0.344 216 W C 1.346 177.681 176.519 -0.306 0.000 1.286 216 W CA 0.505 57.917 57.345 0.112 0.000 1.240 216 W CB 0.791 30.289 29.460 0.063 0.000 1.141 216 W HN 0.179 nan 8.180 nan 0.000 0.579 217 S N 2.050 117.498 115.700 -0.421 0.000 2.614 217 S HA 0.238 4.311 4.470 -0.662 0.000 0.265 217 S C -1.813 172.522 174.600 -0.443 0.000 1.303 217 S CA -1.083 56.304 58.200 -1.356 0.000 1.000 217 S CB 1.178 63.648 63.200 -1.216 0.000 0.935 217 S HN 0.275 nan 8.310 nan 0.000 0.551 218 P HA -0.117 nan 4.420 nan 0.000 0.216 218 P C 0.655 177.918 177.300 -0.061 0.000 1.154 218 P CA 1.339 64.400 63.100 -0.064 0.000 0.865 218 P CB -0.030 31.683 31.700 0.021 0.000 0.789 219 N N -2.369 116.277 118.700 -0.089 0.000 2.214 219 N HA 0.122 4.465 4.740 -0.662 0.000 0.214 219 N C 1.070 176.500 175.510 -0.133 0.000 1.132 219 N CA 0.850 53.845 53.050 -0.091 0.000 0.856 219 N CB 0.424 38.873 38.487 -0.063 0.000 1.020 219 N HN 0.119 nan 8.380 nan 0.000 0.509 220 G N 0.523 109.248 108.800 -0.124 0.000 2.162 220 G HA2 -0.328 3.235 3.960 -0.662 0.000 0.260 220 G HA3 -0.328 3.235 3.960 -0.662 0.000 0.260 220 G C 1.131 176.045 174.900 0.024 0.000 0.976 220 G CA 1.115 46.158 45.100 -0.094 0.000 0.655 220 G HN 0.335 nan 8.290 nan 0.000 0.533 221 T N -0.190 114.278 114.554 -0.143 0.000 2.737 221 T HA 0.220 4.173 4.350 -0.662 0.000 0.265 221 T C 0.797 175.240 174.700 -0.429 0.000 1.038 221 T CA 1.383 63.248 62.100 -0.393 0.000 1.144 221 T CB -0.059 68.332 68.868 -0.795 0.000 0.866 221 T HN 0.326 nan 8.240 nan 0.000 0.434 222 F N 0.153 120.133 119.950 0.051 0.000 2.507 222 F HA 0.659 4.789 4.527 -0.662 0.000 0.327 222 F C -0.361 175.477 175.800 0.063 0.000 1.068 222 F CA -1.751 56.300 58.000 0.084 0.000 0.965 222 F CB 1.308 40.390 39.000 0.137 0.000 1.192 222 F HN -0.143 nan 8.300 nan 0.000 0.476 223 L N 2.608 123.951 121.223 0.200 0.000 2.372 223 L HA 0.823 4.766 4.340 -0.662 0.000 0.273 223 L C -0.636 176.324 176.870 0.149 0.000 0.989 223 L CA -0.547 54.233 54.840 -0.099 0.000 0.841 223 L CB 0.717 42.448 42.059 -0.546 0.000 1.225 223 L HN 0.687 nan 8.230 nan 0.000 0.414 224 A N 4.710 127.717 122.820 0.312 0.000 2.304 224 A HA 0.773 4.696 4.320 -0.662 0.000 0.301 224 A C -1.299 176.437 177.584 0.253 0.000 1.132 224 A CA -0.200 51.918 52.037 0.136 0.000 0.819 224 A CB 0.568 19.690 19.000 0.203 0.000 1.094 224 A HN 0.922 nan 8.150 nan 0.000 0.492 225 Y N -1.780 118.432 120.300 -0.147 0.000 2.638 225 Y HA 0.754 4.907 4.550 -0.662 0.000 0.335 225 Y C -0.459 175.434 175.900 -0.012 0.000 1.155 225 Y CA -0.862 57.257 58.100 0.030 0.000 1.046 225 Y CB 0.880 39.296 38.460 -0.073 0.000 1.303 225 Y HN 0.965 nan 8.280 nan 0.000 0.460 226 A N 2.046 125.043 122.820 0.295 0.000 2.356 226 A HA 0.672 4.594 4.320 -0.662 0.000 0.323 226 A C -1.391 176.125 177.584 -0.115 0.000 1.119 226 A CA -0.889 51.126 52.037 -0.036 0.000 0.790 226 A CB 1.884 20.883 19.000 -0.003 0.000 1.273 226 A HN 0.821 nan 8.150 nan 0.000 0.452 227 Q N 1.225 120.849 119.800 -0.293 0.000 2.331 227 Q HA 0.608 4.551 4.340 -0.662 0.000 0.267 227 Q C -2.010 173.714 176.000 -0.460 0.000 1.006 227 Q CA -0.372 55.364 55.803 -0.112 0.000 0.818 227 Q CB 0.946 29.836 28.738 0.253 0.000 1.276 227 Q HN 0.582 nan 8.270 nan 0.000 0.450 228 F N 2.483 122.516 119.950 0.137 0.000 2.443 228 F HA 0.396 4.528 4.527 -0.660 0.000 0.335 228 F C 0.431 176.358 175.800 0.212 0.000 1.104 228 F CA -0.900 57.146 58.000 0.077 0.000 1.013 228 F CB 1.356 40.305 39.000 -0.085 0.000 1.136 228 F HN 0.454 nan 8.300 nan 0.000 0.470 229 N N 2.108 120.994 118.700 0.310 0.000 2.518 229 N HA 0.199 4.542 4.740 -0.662 0.000 0.254 229 N C -0.703 174.956 175.510 0.249 0.000 0.979 229 N CA -0.331 52.871 53.050 0.254 0.000 0.930 229 N CB 0.870 39.454 38.487 0.161 0.000 1.152 229 N HN 0.507 nan 8.380 nan 0.000 0.505 230 D N 1.528 122.102 120.400 0.290 0.000 2.342 230 D HA 0.086 4.329 4.640 -0.662 0.000 0.221 230 D C 1.224 177.625 176.300 0.169 0.000 1.101 230 D CA 0.244 54.390 54.000 0.244 0.000 0.837 230 D CB 0.384 41.380 40.800 0.327 0.000 0.938 230 D HN 0.490 nan 8.370 nan 0.000 0.508 231 T N 0.551 115.188 114.554 0.138 0.000 2.649 231 T HA -0.224 3.729 4.350 -0.662 0.000 0.268 231 T C 1.373 176.120 174.700 0.078 0.000 1.036 231 T CA 1.341 63.498 62.100 0.094 0.000 1.157 231 T CB -0.044 68.869 68.868 0.075 0.000 0.861 231 T HN 0.360 nan 8.240 nan 0.000 0.445 232 E N 0.325 120.571 120.200 0.077 0.000 2.463 232 E HA 0.155 4.108 4.350 -0.662 0.000 0.193 232 E C -0.302 176.337 176.600 0.065 0.000 1.041 232 E CA -0.182 56.254 56.400 0.060 0.000 0.879 232 E CB 0.500 30.229 29.700 0.048 0.000 0.997 232 E HN 0.243 nan 8.360 nan 0.000 0.478 233 V N 3.737 123.702 119.914 0.086 0.000 2.488 233 V HA 0.113 3.836 4.120 -0.662 0.000 0.277 233 V C -2.044 174.097 176.094 0.078 0.000 1.046 233 V CA -1.584 60.769 62.300 0.088 0.000 0.986 233 V CB 0.493 32.384 31.823 0.113 0.000 0.989 233 V HN 0.022 nan 8.190 nan 0.000 0.475 234 P HA 0.229 nan 4.420 nan 0.000 0.270 234 P C -0.695 176.634 177.300 0.048 0.000 1.223 234 P CA -0.235 62.895 63.100 0.050 0.000 0.785 234 P CB 0.498 32.226 31.700 0.047 0.000 0.923 235 L N 2.194 123.425 121.223 0.013 0.000 2.307 235 L HA 0.431 4.374 4.340 -0.662 0.000 0.282 235 L C 0.408 177.227 176.870 -0.084 0.000 1.051 235 L CA -0.971 53.858 54.840 -0.018 0.000 0.804 235 L CB 0.928 42.971 42.059 -0.027 0.000 1.197 235 L HN 0.306 nan 8.230 nan 0.000 0.431 236 I N 2.582 123.055 120.570 -0.162 0.000 2.428 236 I HA 0.256 4.029 4.170 -0.662 0.000 0.289 236 I C -0.327 175.643 176.117 -0.246 0.000 1.019 236 I CA 0.256 61.365 61.300 -0.318 0.000 1.351 236 I CB 0.877 38.426 38.000 -0.752 0.000 1.412 236 I HN 0.577 nan 8.210 nan 0.000 0.513 237 E N 7.116 127.194 120.200 -0.203 0.000 2.266 237 E HA 0.552 4.505 4.350 -0.662 0.000 0.268 237 E C -1.824 174.713 176.600 -0.104 0.000 0.879 237 E CA -0.628 55.650 56.400 -0.204 0.000 0.762 237 E CB 2.218 31.826 29.700 -0.154 0.000 1.199 237 E HN 0.569 nan 8.360 nan 0.000 0.422 238 Y N -1.998 118.200 120.300 -0.169 0.000 2.592 238 Y HA 0.492 4.631 4.550 -0.686 0.000 0.334 238 Y C -0.798 175.016 175.900 -0.143 0.000 1.136 238 Y CA -1.237 56.768 58.100 -0.158 0.000 1.042 238 Y CB 0.762 39.127 38.460 -0.159 0.000 1.325 238 Y HN 0.232 nan 8.280 nan 0.000 0.457 239 S N 2.211 117.877 115.700 -0.056 0.000 2.580 239 S HA 0.449 4.521 4.470 -0.662 0.000 0.274 239 S C -1.307 173.106 174.600 -0.311 0.000 1.329 239 S CA -0.262 57.757 58.200 -0.301 0.000 1.036 239 S CB 0.359 63.236 63.200 -0.539 0.000 0.919 239 S HN 0.537 nan 8.310 nan 0.000 0.515 240 F N 2.207 121.861 119.950 -0.492 0.000 2.507 240 F HA 0.430 4.565 4.527 -0.653 0.000 0.328 240 F C -0.304 175.243 175.800 -0.421 0.000 1.136 240 F CA -0.923 56.890 58.000 -0.312 0.000 0.930 240 F CB 0.833 39.774 39.000 -0.098 0.000 1.166 240 F HN 0.647 nan 8.300 nan 0.000 0.436 241 Y N 2.761 122.802 120.300 -0.433 0.000 2.448 241 Y HA 0.128 4.199 4.550 -0.798 0.000 0.289 241 Y C 1.701 177.516 175.900 -0.142 0.000 1.114 241 Y CA 1.109 59.072 58.100 -0.227 0.000 1.235 241 Y CB -0.464 37.856 38.460 -0.234 0.000 1.045 241 Y HN 0.743 nan 8.280 nan 0.000 0.554 242 S N -0.055 115.552 115.700 -0.155 0.000 3.513 242 S HA -0.322 3.751 4.470 -0.662 0.000 0.636 242 S C -0.144 174.503 174.600 0.078 0.000 2.452 242 S CA 0.218 58.485 58.200 0.112 0.000 2.644 242 S CB -1.391 61.964 63.200 0.258 0.000 0.331 242 S HN 0.630 nan 8.310 nan 0.000 1.787 243 D N 0.849 121.315 120.400 0.110 0.000 2.419 243 D HA 0.183 4.426 4.640 -0.662 0.000 0.236 243 D C 1.428 177.761 176.300 0.055 0.000 1.165 243 D CA 0.890 54.935 54.000 0.075 0.000 0.882 243 D CB 0.415 41.261 40.800 0.077 0.000 1.201 243 D HN 0.540 nan 8.370 nan 0.000 0.443 244 E N 1.004 121.225 120.200 0.035 0.000 2.219 244 E HA -0.268 3.685 4.350 -0.662 0.000 0.198 244 E C 1.542 178.155 176.600 0.022 0.000 0.998 244 E CA 1.338 57.749 56.400 0.018 0.000 0.818 244 E CB -0.011 29.693 29.700 0.007 0.000 0.741 244 E HN 0.573 nan 8.360 nan 0.000 0.477 245 S N 0.066 115.786 115.700 0.032 0.000 2.447 245 S HA -0.078 3.995 4.470 -0.662 0.000 0.233 245 S C 1.151 175.777 174.600 0.043 0.000 1.006 245 S CA 0.029 58.248 58.200 0.033 0.000 0.957 245 S CB -0.180 63.042 63.200 0.038 0.000 0.773 245 S HN 0.249 nan 8.310 nan 0.000 0.507 246 L N 2.467 123.724 121.223 0.057 0.000 2.456 246 L HA 0.128 4.071 4.340 -0.662 0.000 0.277 246 L C 1.642 178.548 176.870 0.061 0.000 1.124 246 L CA 0.052 54.937 54.840 0.076 0.000 0.880 246 L CB 0.835 42.952 42.059 0.097 0.000 1.192 246 L HN 0.459 nan 8.230 nan 0.000 0.463 247 Q N 4.064 123.906 119.800 0.070 0.000 2.119 247 Q HA -0.123 3.820 4.340 -0.662 0.000 0.201 247 Q C -0.621 175.301 176.000 -0.130 0.000 0.972 247 Q CA 1.466 57.263 55.803 -0.010 0.000 0.847 247 Q CB 0.211 28.974 28.738 0.043 0.000 0.903 247 Q HN 0.580 nan 8.270 nan 0.000 0.433 248 Y N 0.243 120.555 120.300 0.021 0.000 2.364 248 Y HA 0.392 4.543 4.550 -0.665 0.000 0.340 248 Y C -2.058 173.850 175.900 0.013 0.000 0.975 248 Y CA -3.033 55.076 58.100 0.015 0.000 1.089 248 Y CB 1.337 39.798 38.460 0.001 0.000 1.192 248 Y HN 0.117 nan 8.280 nan 0.000 0.454 249 P HA 0.129 nan 4.420 nan 0.000 0.270 249 P C -0.844 176.460 177.300 0.007 0.000 1.223 249 P CA -0.509 62.601 63.100 0.017 0.000 0.785 249 P CB 0.804 32.450 31.700 -0.090 0.000 0.923 250 K N 0.347 120.731 120.400 -0.026 0.000 2.098 250 K HA 0.531 4.454 4.320 -0.662 0.000 0.258 250 K C -0.382 176.164 176.600 -0.090 0.000 0.973 250 K CA -0.209 56.066 56.287 -0.020 0.000 0.898 250 K CB 0.690 33.210 32.500 0.032 0.000 1.057 250 K HN 0.285 nan 8.250 nan 0.000 0.447 251 T N 1.632 116.121 114.554 -0.107 0.000 2.770 251 T HA 0.340 4.293 4.350 -0.662 0.000 0.283 251 T C -0.730 173.835 174.700 -0.226 0.000 0.988 251 T CA -0.673 61.325 62.100 -0.169 0.000 0.957 251 T CB 0.808 69.594 68.868 -0.138 0.000 0.930 251 T HN 0.153 nan 8.240 nan 0.000 0.443 252 V N 5.343 125.019 119.914 -0.396 0.000 2.546 252 V HA 0.467 4.190 4.120 -0.662 0.000 0.284 252 V C 0.389 176.203 176.094 -0.466 0.000 1.050 252 V CA -0.508 61.506 62.300 -0.477 0.000 0.981 252 V CB 0.940 32.280 31.823 -0.805 0.000 0.990 252 V HN 0.719 nan 8.190 nan 0.000 0.474 253 R N 5.081 125.434 120.500 -0.245 0.000 2.532 253 R HA 0.727 4.670 4.340 -0.662 0.000 0.297 253 R C -1.439 174.830 176.300 -0.051 0.000 0.984 253 R CA -0.587 55.415 56.100 -0.163 0.000 0.884 253 R CB 2.144 32.384 30.300 -0.100 0.000 1.182 253 R HN 0.590 nan 8.270 nan 0.000 0.442 254 I N 3.130 123.668 120.570 -0.054 0.000 2.533 254 I HA 0.342 4.115 4.170 -0.662 0.000 0.290 254 I C -2.469 173.678 176.117 0.050 0.000 1.056 254 I CA -2.705 58.621 61.300 0.043 0.000 1.057 254 I CB 2.842 40.801 38.000 -0.068 0.000 1.240 254 I HN 0.227 nan 8.210 nan 0.000 0.423 255 P HA 0.096 nan 4.420 nan 0.000 0.276 255 P C -1.508 175.880 177.300 0.147 0.000 1.253 255 P CA 0.185 63.369 63.100 0.141 0.000 0.766 255 P CB 0.037 31.856 31.700 0.197 0.000 0.845 256 Y N 6.438 126.700 120.300 -0.063 0.000 2.315 256 Y HA 0.401 4.563 4.550 -0.647 0.000 0.324 256 Y C -2.788 173.075 175.900 -0.063 0.000 1.062 256 Y CA -2.887 55.131 58.100 -0.137 0.000 1.159 256 Y CB 1.850 40.105 38.460 -0.342 0.000 1.145 256 Y HN 0.282 nan 8.280 nan 0.000 0.442 257 P HA 0.267 nan 4.420 nan 0.000 0.287 257 P C -0.958 176.375 177.300 0.055 0.000 1.307 257 P CA -0.224 62.904 63.100 0.047 0.000 0.777 257 P CB 1.571 33.280 31.700 0.016 0.000 0.883 258 K N 1.974 122.489 120.400 0.192 0.000 2.117 258 K HA 0.526 4.449 4.320 -0.662 0.000 0.240 258 K C 0.553 177.241 176.600 0.147 0.000 1.031 258 K CA -0.767 55.653 56.287 0.221 0.000 0.909 258 K CB 0.509 33.162 32.500 0.254 0.000 1.097 258 K HN 0.450 nan 8.250 nan 0.000 0.492 259 A N 0.497 123.430 122.820 0.188 0.000 2.566 259 A HA 0.281 4.204 4.320 -0.662 0.000 0.245 259 A C 1.175 178.799 177.584 0.066 0.000 1.056 259 A CA 1.017 53.154 52.037 0.167 0.000 0.757 259 A CB -1.216 17.953 19.000 0.283 0.000 0.979 259 A HN 0.888 nan 8.150 nan 0.000 0.508 260 G N 0.940 109.772 108.800 0.052 0.000 2.205 260 G HA2 0.091 3.654 3.960 -0.662 0.000 0.261 260 G HA3 0.091 3.654 3.960 -0.662 0.000 0.261 260 G C 0.684 175.597 174.900 0.021 0.000 0.980 260 G CA 0.789 45.895 45.100 0.011 0.000 0.632 260 G HN 2.198 nan 8.290 nan 0.000 0.533 261 A N -0.169 122.678 122.820 0.044 0.000 2.272 261 A HA 0.690 4.613 4.320 -0.662 0.000 0.275 261 A C 0.518 178.126 177.584 0.039 0.000 1.096 261 A CA 0.630 52.693 52.037 0.044 0.000 0.822 261 A CB 0.362 19.402 19.000 0.067 0.000 1.088 261 A HN 0.820 nan 8.150 nan 0.000 0.495 262 E N 0.622 120.845 120.200 0.037 0.000 2.415 262 E HA 0.098 4.051 4.350 -0.662 0.000 0.263 262 E C -0.314 176.315 176.600 0.049 0.000 0.995 262 E CA 0.311 56.731 56.400 0.034 0.000 0.915 262 E CB 0.153 29.874 29.700 0.035 0.000 0.951 262 E HN 0.554 nan 8.360 nan 0.000 0.449 263 N N 4.113 122.839 118.700 0.043 0.000 2.482 263 N HA 0.447 4.790 4.740 -0.662 0.000 0.279 263 N C -2.482 173.090 175.510 0.104 0.000 1.182 263 N CA -1.779 51.316 53.050 0.076 0.000 0.969 263 N CB 0.781 39.306 38.487 0.064 0.000 1.201 263 N HN 0.400 nan 8.380 nan 0.000 0.523 264 P HA 0.127 nan 4.420 nan 0.000 0.274 264 P C -0.570 176.861 177.300 0.218 0.000 1.237 264 P CA -0.136 63.096 63.100 0.220 0.000 0.793 264 P CB 0.433 32.313 31.700 0.300 0.000 0.977 265 T N -1.768 112.892 114.554 0.178 0.000 2.952 265 T HA 0.589 4.542 4.350 -0.662 0.000 0.286 265 T C -0.280 174.507 174.700 0.144 0.000 1.024 265 T CA -0.855 61.305 62.100 0.101 0.000 1.029 265 T CB 1.536 70.427 68.868 0.038 0.000 1.094 265 T HN 0.336 nan 8.240 nan 0.000 0.515 266 V N 0.437 120.409 119.914 0.096 0.000 2.962 266 V HA 0.755 4.478 4.120 -0.662 0.000 0.313 266 V C -1.590 174.510 176.094 0.010 0.000 1.099 266 V CA -0.923 61.379 62.300 0.003 0.000 0.971 266 V CB 2.067 33.944 31.823 0.091 0.000 1.028 266 V HN 1.019 nan 8.190 nan 0.000 0.430 267 K N 4.843 125.155 120.400 -0.146 0.000 2.427 267 K HA 0.504 4.426 4.320 -0.662 0.000 0.252 267 K C -1.856 174.466 176.600 -0.464 0.000 0.931 267 K CA -0.386 55.723 56.287 -0.298 0.000 0.793 267 K CB 2.674 34.939 32.500 -0.392 0.000 1.211 267 K HN 0.579 nan 8.250 nan 0.000 0.426 268 F N 3.538 123.110 119.950 -0.630 0.000 2.467 268 F HA 0.550 4.679 4.527 -0.662 0.000 0.336 268 F C -1.391 173.910 175.800 -0.832 0.000 1.123 268 F CA -0.682 56.977 58.000 -0.569 0.000 0.964 268 F CB 0.682 39.522 39.000 -0.267 0.000 1.136 268 F HN 0.386 nan 8.300 nan 0.000 0.447 269 F N 4.340 123.620 119.950 -1.117 0.000 2.577 269 F HA 0.715 4.844 4.527 -0.662 0.000 0.318 269 F C -0.890 174.388 175.800 -0.870 0.000 1.065 269 F CA -1.299 56.199 58.000 -0.837 0.000 0.929 269 F CB 2.020 40.505 39.000 -0.858 0.000 1.237 269 F HN 0.065 nan 8.300 nan 0.000 0.468 270 V N 2.978 122.781 119.914 -0.186 0.000 2.407 270 V HA 0.435 4.158 4.120 -0.662 0.000 0.291 270 V C -0.654 175.553 176.094 0.187 0.000 1.018 270 V CA -0.800 61.421 62.300 -0.132 0.000 0.842 270 V CB 1.609 33.137 31.823 -0.492 0.000 0.996 270 V HN 0.533 nan 8.190 nan 0.000 0.426 271 V N 3.466 123.531 119.914 0.252 0.000 2.439 271 V HA 0.354 4.077 4.120 -0.662 0.000 0.282 271 V C -0.012 176.344 176.094 0.436 0.000 1.039 271 V CA -0.434 62.047 62.300 0.302 0.000 0.913 271 V CB 1.850 33.788 31.823 0.191 0.000 0.983 271 V HN 0.870 nan 8.190 nan 0.000 0.460 272 D N 3.305 123.967 120.400 0.437 0.000 2.380 272 D HA 0.120 4.363 4.640 -0.662 0.000 0.230 272 D C 1.289 177.681 176.300 0.154 0.000 1.154 272 D CA -0.047 54.171 54.000 0.365 0.000 0.859 272 D CB 1.708 42.756 40.800 0.413 0.000 1.045 272 D HN 0.735 nan 8.370 nan 0.000 0.495 273 T N 1.283 115.881 114.554 0.074 0.000 3.118 273 T HA -0.011 3.942 4.350 -0.662 0.000 0.260 273 T C 1.601 176.327 174.700 0.045 0.000 1.139 273 T CA 0.363 62.509 62.100 0.076 0.000 1.085 273 T CB 0.014 68.972 68.868 0.150 0.000 0.934 273 T HN 0.304 nan 8.240 nan 0.000 0.518 274 R N 1.353 121.852 120.500 -0.002 0.000 2.148 274 R HA -0.014 3.929 4.340 -0.662 0.000 0.227 274 R C 2.465 178.784 176.300 0.031 0.000 1.103 274 R CA 1.675 57.773 56.100 -0.004 0.000 0.983 274 R CB -0.443 29.836 30.300 -0.036 0.000 0.874 274 R HN 0.670 nan 8.270 nan 0.000 0.451 275 T N -2.020 112.566 114.554 0.054 0.000 3.086 275 T HA 0.231 4.184 4.350 -0.662 0.000 0.250 275 T C 0.658 175.393 174.700 0.059 0.000 1.074 275 T CA -0.271 61.865 62.100 0.061 0.000 0.988 275 T CB 0.056 68.972 68.868 0.079 0.000 0.988 275 T HN -0.031 nan 8.240 nan 0.000 0.530 276 L N 2.583 123.841 121.223 0.059 0.000 2.584 276 L HA 0.374 4.316 4.340 -0.662 0.000 0.272 276 L C 0.429 177.330 176.870 0.052 0.000 1.195 276 L CA 0.058 54.932 54.840 0.056 0.000 0.920 276 L CB 0.323 42.413 42.059 0.052 0.000 1.173 276 L HN 0.281 nan 8.230 nan 0.000 0.489 277 S N 3.970 119.702 115.700 0.054 0.000 2.547 277 S HA 0.479 4.552 4.470 -0.662 0.000 0.270 277 S C -2.039 172.596 174.600 0.058 0.000 1.150 277 S CA -1.030 57.200 58.200 0.051 0.000 0.850 277 S CB 1.947 65.174 63.200 0.044 0.000 1.118 277 S HN 0.350 nan 8.310 nan 0.000 0.461 278 P HA -0.028 nan 4.420 nan 0.000 0.218 278 P C 0.328 177.664 177.300 0.059 0.000 1.148 278 P CA 1.159 64.301 63.100 0.070 0.000 0.822 278 P CB -0.079 31.660 31.700 0.064 0.000 0.784 279 N N -0.573 118.153 118.700 0.043 0.000 2.268 279 N HA 0.215 4.558 4.740 -0.662 0.000 0.204 279 N C 0.411 175.937 175.510 0.025 0.000 1.124 279 N CA 0.035 53.103 53.050 0.029 0.000 0.838 279 N CB 0.428 38.930 38.487 0.024 0.000 0.994 279 N HN 0.125 nan 8.380 nan 0.000 0.489 280 A N 0.389 123.230 122.820 0.036 0.000 2.340 280 A HA 0.634 4.557 4.320 -0.662 0.000 0.331 280 A C 0.665 178.270 177.584 0.036 0.000 1.140 280 A CA -0.556 51.503 52.037 0.035 0.000 0.801 280 A CB 0.947 19.974 19.000 0.044 0.000 1.234 280 A HN 0.185 nan 8.150 nan 0.000 0.469 281 S N 0.287 116.003 115.700 0.027 0.000 2.640 281 S HA 0.525 4.598 4.470 -0.662 0.000 0.262 281 S C 0.047 174.678 174.600 0.052 0.000 1.232 281 S CA -0.480 57.733 58.200 0.022 0.000 0.988 281 S CB 0.530 63.735 63.200 0.008 0.000 1.034 281 S HN 0.806 nan 8.310 nan 0.000 0.569 282 V N 1.254 121.203 119.914 0.057 0.000 2.439 282 V HA 0.350 4.073 4.120 -0.662 0.000 0.282 282 V C 0.199 176.347 176.094 0.091 0.000 1.039 282 V CA -0.527 61.816 62.300 0.073 0.000 0.913 282 V CB 1.214 33.075 31.823 0.064 0.000 0.983 282 V HN 0.994 nan 8.190 nan 0.000 0.460 283 T N 4.711 119.340 114.554 0.126 0.000 2.727 283 T HA 0.510 4.463 4.350 -0.662 0.000 0.298 283 T C 0.039 174.877 174.700 0.231 0.000 0.942 283 T CA -0.206 62.000 62.100 0.176 0.000 0.997 283 T CB 0.500 69.486 68.868 0.198 0.000 0.917 283 T HN 0.930 nan 8.240 nan 0.000 0.487 284 S N 3.141 118.983 115.700 0.236 0.000 2.579 284 S HA 0.719 4.792 4.470 -0.662 0.000 0.272 284 S C -1.701 173.121 174.600 0.370 0.000 1.141 284 S CA -0.999 57.371 58.200 0.283 0.000 0.843 284 S CB 1.672 64.965 63.200 0.155 0.000 1.122 284 S HN 0.585 nan 8.310 nan 0.000 0.468 285 Y N 0.988 121.455 120.300 0.279 0.000 2.406 285 Y HA 0.518 4.671 4.550 -0.662 0.000 0.340 285 Y C -0.547 175.500 175.900 0.244 0.000 0.975 285 Y CA -0.462 57.813 58.100 0.291 0.000 1.056 285 Y CB 1.953 40.662 38.460 0.414 0.000 1.210 285 Y HN 0.929 nan 8.280 nan 0.000 0.448 286 Q N 6.426 125.997 119.800 -0.382 0.000 2.296 286 Q HA 0.496 4.439 4.340 -0.662 0.000 0.257 286 Q C -1.311 174.474 176.000 -0.357 0.000 0.942 286 Q CA -0.475 55.117 55.803 -0.352 0.000 0.939 286 Q CB 0.744 29.283 28.738 -0.331 0.000 1.198 286 Q HN 0.750 nan 8.270 nan 0.000 0.429 287 I N 5.258 125.798 120.570 -0.050 0.000 2.321 287 I HA 0.240 4.013 4.170 -0.662 0.000 0.291 287 I C 0.184 176.332 176.117 0.052 0.000 0.998 287 I CA -0.900 60.478 61.300 0.130 0.000 1.227 287 I CB 1.235 39.401 38.000 0.277 0.000 1.368 287 I HN 0.424 nan 8.210 nan 0.000 0.466 288 V N 5.245 125.115 119.914 -0.073 0.000 2.973 288 V HA 0.651 4.374 4.120 -0.662 0.000 0.314 288 V C -2.368 173.422 176.094 -0.507 0.000 1.066 288 V CA -1.933 60.201 62.300 -0.277 0.000 1.021 288 V CB 0.991 32.658 31.823 -0.259 0.000 1.076 288 V HN 0.519 nan 8.190 nan 0.000 0.462 289 P HA 0.400 nan 4.420 nan 0.000 0.274 289 P C -2.824 174.076 177.300 -0.666 0.000 1.246 289 P CA -1.681 60.567 63.100 -1.419 0.000 0.795 289 P CB -0.154 30.241 31.700 -2.177 0.000 1.006 290 P HA -0.029 nan 4.420 nan 0.000 0.268 290 P C 0.916 178.070 177.300 -0.243 0.000 1.208 290 P CA 0.323 63.285 63.100 -0.231 0.000 0.777 290 P CB 0.051 31.683 31.700 -0.114 0.000 0.875 291 A N 2.311 125.031 122.820 -0.166 0.000 1.927 291 A HA -0.241 3.682 4.320 -0.662 0.000 0.220 291 A C 2.078 179.565 177.584 -0.161 0.000 1.185 291 A CA 2.560 54.504 52.037 -0.154 0.000 0.639 291 A CB -1.845 17.093 19.000 -0.104 0.000 0.820 291 A HN 0.632 nan 8.150 nan 0.000 0.451 292 S N -1.394 114.229 115.700 -0.130 0.000 2.507 292 S HA 0.021 4.094 4.470 -0.662 0.000 0.235 292 S C 1.342 175.794 174.600 -0.248 0.000 0.988 292 S CA 1.286 59.386 58.200 -0.167 0.000 0.944 292 S CB -0.094 63.064 63.200 -0.069 0.000 0.762 292 S HN 0.284 nan 8.310 nan 0.000 0.526 293 V N 0.361 120.143 119.914 -0.221 0.000 3.219 293 V HA 0.280 4.003 4.120 -0.662 0.000 0.240 293 V C 2.023 177.918 176.094 -0.333 0.000 1.222 293 V CA 0.182 62.338 62.300 -0.241 0.000 1.181 293 V CB -0.228 31.474 31.823 -0.202 0.000 0.941 293 V HN 0.411 nan 8.190 nan 0.000 0.471 294 L N 0.217 121.184 121.223 -0.427 0.000 2.261 294 L HA -0.165 3.778 4.340 -0.662 0.000 0.216 294 L C 2.194 178.955 176.870 -0.181 0.000 1.114 294 L CA 1.678 56.278 54.840 -0.400 0.000 0.777 294 L CB -0.134 41.715 42.059 -0.350 0.000 0.910 294 L HN 0.373 nan 8.230 nan 0.000 0.440 295 I N -0.774 119.699 120.570 -0.162 0.000 2.567 295 I HA -0.101 3.672 4.170 -0.662 0.000 0.257 295 I C 1.058 177.132 176.117 -0.072 0.000 1.184 295 I CA 0.880 62.113 61.300 -0.112 0.000 1.451 295 I CB 0.022 37.944 38.000 -0.129 0.000 1.089 295 I HN 0.276 nan 8.210 nan 0.000 0.441 296 G N -1.061 107.713 108.800 -0.043 0.000 2.749 296 G HA2 0.216 3.779 3.960 -0.662 0.000 0.300 296 G HA3 0.216 3.779 3.960 -0.662 0.000 0.300 296 G C -1.609 173.309 174.900 0.031 0.000 1.352 296 G CA -0.605 44.481 45.100 -0.023 0.000 0.789 296 G HN -0.080 nan 8.290 nan 0.000 0.509 297 D N 1.176 121.541 120.400 -0.058 0.000 2.525 297 D HA 0.357 4.600 4.640 -0.662 0.000 0.235 297 D C 0.513 176.706 176.300 -0.177 0.000 1.137 297 D CA 0.902 54.799 54.000 -0.171 0.000 0.868 297 D CB 0.279 40.960 40.800 -0.198 0.000 1.180 297 D HN 0.529 nan 8.370 nan 0.000 0.465 298 H N -0.629 118.290 119.070 -0.252 0.000 2.933 298 H HA 0.478 4.637 4.556 -0.661 0.000 0.310 298 H C -1.312 173.866 175.328 -0.250 0.000 1.351 298 H CA -0.831 55.076 56.048 -0.235 0.000 1.137 298 H CB 0.448 30.183 29.762 -0.044 0.000 1.853 298 H HN 0.293 nan 8.280 nan 0.000 0.539 299 Y N 0.075 120.633 120.300 0.430 0.000 2.524 299 Y HA 0.374 4.527 4.550 -0.662 0.000 0.347 299 Y C -0.434 175.840 175.900 0.622 0.000 1.005 299 Y CA -1.103 57.266 58.100 0.448 0.000 1.025 299 Y CB 2.091 40.641 38.460 0.150 0.000 1.275 299 Y HN 0.513 nan 8.280 nan 0.000 0.460 300 L N 3.357 125.064 121.223 0.807 0.000 2.265 300 L HA 0.447 4.390 4.340 -0.662 0.000 0.288 300 L C 0.404 177.521 176.870 0.412 0.000 1.058 300 L CA -0.204 54.785 54.840 0.248 0.000 0.809 300 L CB 0.507 42.569 42.059 0.004 0.000 1.179 300 L HN 0.972 nan 8.230 nan 0.000 0.429 301 C N 1.693 121.068 119.300 0.125 0.000 3.392 301 C HA 0.837 4.900 4.460 -0.662 0.000 0.301 301 C C 0.691 175.656 174.990 -0.043 0.000 1.354 301 C CA 0.037 59.176 59.018 0.202 0.000 1.732 301 C CB -0.758 27.079 27.740 0.162 0.000 2.269 301 C HN 0.914 nan 8.230 nan 0.000 0.673 302 G N 0.138 108.750 108.800 -0.313 0.000 2.742 302 G HA2 0.597 4.160 3.960 -0.662 0.000 0.296 302 G HA3 0.597 4.160 3.960 -0.662 0.000 0.296 302 G C -1.894 172.579 174.900 -0.711 0.000 1.436 302 G CA -0.210 44.629 45.100 -0.436 0.000 0.928 302 G HN 0.323 nan 8.290 nan 0.000 0.520 303 V N 0.938 120.371 119.914 -0.802 0.000 2.569 303 V HA 0.710 4.433 4.120 -0.662 0.000 0.301 303 V C -0.497 175.156 176.094 -0.734 0.000 1.044 303 V CA -0.625 61.035 62.300 -1.067 0.000 0.874 303 V CB 2.102 32.799 31.823 -1.877 0.000 1.002 303 V HN 0.861 nan 8.190 nan 0.000 0.424 304 T N 3.571 117.765 114.554 -0.601 0.000 2.949 304 T HA 0.356 4.309 4.350 -0.662 0.000 0.300 304 T C -0.803 173.685 174.700 -0.352 0.000 0.988 304 T CA -0.384 61.517 62.100 -0.331 0.000 0.993 304 T CB 0.763 69.525 68.868 -0.176 0.000 0.984 304 T HN 0.536 nan 8.240 nan 0.000 0.442 305 W N 2.790 124.007 121.300 -0.138 0.000 2.253 305 W HA 0.313 4.576 4.660 -0.662 0.000 0.322 305 W C 1.118 177.551 176.519 -0.144 0.000 1.342 305 W CA -0.313 56.972 57.345 -0.100 0.000 1.218 305 W CB 0.659 30.143 29.460 0.040 0.000 1.205 305 W HN 0.463 nan 8.180 nan 0.000 0.551 306 V N 1.698 121.625 119.914 0.022 0.000 2.627 306 V HA 0.080 3.803 4.120 -0.662 0.000 0.239 306 V C 0.910 177.060 176.094 0.093 0.000 1.077 306 V CA 1.507 63.715 62.300 -0.154 0.000 1.103 306 V CB -0.289 31.187 31.823 -0.578 0.000 0.802 306 V HN 0.661 nan 8.190 nan 0.000 0.482 307 T N -4.120 110.551 114.554 0.195 0.000 2.696 307 T HA 0.356 4.309 4.350 -0.662 0.000 0.291 307 T C 0.470 175.363 174.700 0.323 0.000 1.095 307 T CA -0.487 61.742 62.100 0.214 0.000 1.026 307 T CB 1.945 70.915 68.868 0.170 0.000 1.390 307 T HN -0.035 nan 8.240 nan 0.000 0.513 308 E N 0.355 120.701 120.200 0.243 0.000 2.338 308 E HA -0.040 3.913 4.350 -0.662 0.000 0.197 308 E C 0.859 177.749 176.600 0.484 0.000 1.007 308 E CA 1.032 57.593 56.400 0.268 0.000 0.849 308 E CB 0.116 29.915 29.700 0.165 0.000 0.774 308 E HN 0.728 nan 8.360 nan 0.000 0.506 309 E N -0.133 120.313 120.200 0.411 0.000 2.693 309 E HA 0.146 4.099 4.350 -0.662 0.000 0.214 309 E C 0.150 176.991 176.600 0.400 0.000 0.990 309 E CA -0.160 56.457 56.400 0.360 0.000 1.047 309 E CB 0.967 30.792 29.700 0.209 0.000 1.039 309 E HN -0.121 nan 8.360 nan 0.000 0.475 310 R N 1.521 122.313 120.500 0.487 0.000 2.533 310 R HA 0.504 4.447 4.340 -0.662 0.000 0.288 310 R C -1.803 174.585 176.300 0.147 0.000 1.039 310 R CA -0.435 55.844 56.100 0.299 0.000 0.909 310 R CB 1.335 31.693 30.300 0.097 0.000 1.195 310 R HN 0.056 nan 8.270 nan 0.000 0.438 311 I N 2.226 122.738 120.570 -0.096 0.000 2.689 311 I HA 0.398 4.171 4.170 -0.662 0.000 0.299 311 I C -1.215 174.599 176.117 -0.504 0.000 1.059 311 I CA -0.548 60.409 61.300 -0.572 0.000 1.055 311 I CB 2.419 39.662 38.000 -1.263 0.000 1.243 311 I HN 0.665 nan 8.210 nan 0.000 0.425 312 S N 7.549 122.896 115.700 -0.587 0.000 2.456 312 S HA 0.624 4.697 4.470 -0.662 0.000 0.316 312 S C -0.980 173.285 174.600 -0.559 0.000 1.089 312 S CA -0.692 57.234 58.200 -0.458 0.000 1.101 312 S CB 0.599 63.589 63.200 -0.350 0.000 0.995 312 S HN 0.495 nan 8.310 nan 0.000 0.468 313 L N 4.389 125.299 121.223 -0.523 0.000 2.329 313 L HA 0.571 4.514 4.340 -0.662 0.000 0.279 313 L C -0.077 176.456 176.870 -0.561 0.000 1.014 313 L CA -0.657 53.738 54.840 -0.742 0.000 0.814 313 L CB 1.875 43.443 42.059 -0.818 0.000 1.257 313 L HN 0.651 nan 8.230 nan 0.000 0.424 314 Q N 2.208 121.613 119.800 -0.659 0.000 2.331 314 Q HA 0.422 4.365 4.340 -0.662 0.000 0.267 314 Q C -1.872 173.892 176.000 -0.393 0.000 1.006 314 Q CA -0.539 55.043 55.803 -0.369 0.000 0.818 314 Q CB 1.665 30.246 28.738 -0.261 0.000 1.276 314 Q HN 0.467 nan 8.270 nan 0.000 0.450 315 W N 3.653 124.920 121.300 -0.055 0.000 2.820 315 W HA 0.727 4.990 4.660 -0.662 0.000 0.350 315 W C -0.678 175.897 176.519 0.092 0.000 1.116 315 W CA -0.705 56.658 57.345 0.031 0.000 1.146 315 W CB 1.372 30.818 29.460 -0.023 0.000 1.433 315 W HN 0.536 nan 8.180 nan 0.000 0.561 316 I N 1.088 121.925 120.570 0.445 0.000 2.752 316 I HA 0.426 4.199 4.170 -0.662 0.000 0.295 316 I C -0.275 176.044 176.117 0.337 0.000 1.219 316 I CA -1.064 60.446 61.300 0.350 0.000 1.030 316 I CB 1.421 39.600 38.000 0.299 0.000 1.259 316 I HN 0.415 nan 8.210 nan 0.000 0.423 317 R N 4.404 125.063 120.500 0.266 0.000 2.679 317 R HA 0.235 4.178 4.340 -0.662 0.000 0.269 317 R C 1.063 177.414 176.300 0.085 0.000 1.076 317 R CA -0.268 55.915 56.100 0.138 0.000 1.160 317 R CB 0.488 30.834 30.300 0.077 0.000 1.054 317 R HN 0.613 nan 8.270 nan 0.000 0.507 318 R N 1.482 121.936 120.500 -0.078 0.000 2.103 318 R HA -0.204 3.739 4.340 -0.662 0.000 0.242 318 R C 1.807 178.152 176.300 0.075 0.000 1.142 318 R CA 2.028 58.047 56.100 -0.136 0.000 0.960 318 R CB -0.349 29.825 30.300 -0.210 0.000 0.858 318 R HN 0.765 nan 8.270 nan 0.000 0.439 319 A N 0.335 123.183 122.820 0.046 0.000 2.125 319 A HA -0.172 3.751 4.320 -0.662 0.000 0.219 319 A C 0.790 178.418 177.584 0.073 0.000 1.156 319 A CA 1.429 53.496 52.037 0.051 0.000 0.671 319 A CB -0.208 18.812 19.000 0.033 0.000 0.794 319 A HN 0.650 nan 8.150 nan 0.000 0.459 320 Q N -2.098 117.778 119.800 0.127 0.000 2.494 320 Q HA -0.239 3.704 4.340 -0.662 0.000 0.266 320 Q C 0.006 176.087 176.000 0.135 0.000 1.053 320 Q CA 0.743 56.630 55.803 0.140 0.000 1.029 320 Q CB -1.738 27.045 28.738 0.075 0.000 1.423 320 Q HN 1.001 nan 8.270 nan 0.000 0.516 321 N N -0.778 118.003 118.700 0.135 0.000 2.177 321 N HA 0.111 4.454 4.740 -0.662 0.000 0.218 321 N C -0.859 174.749 175.510 0.163 0.000 1.182 321 N CA -0.043 53.075 53.050 0.113 0.000 0.882 321 N CB 0.465 38.995 38.487 0.071 0.000 1.052 321 N HN 0.334 nan 8.380 nan 0.000 0.519 322 Y N 1.376 121.705 120.300 0.048 0.000 2.332 322 Y HA 0.575 4.728 4.550 -0.662 0.000 0.325 322 Y C -1.166 174.775 175.900 0.068 0.000 1.054 322 Y CA -1.111 57.016 58.100 0.045 0.000 1.119 322 Y CB 1.313 39.790 38.460 0.028 0.000 1.168 322 Y HN 0.153 nan 8.280 nan 0.000 0.439 323 S N 6.475 122.109 115.700 -0.110 0.000 2.632 323 S HA 0.854 4.927 4.470 -0.662 0.000 0.289 323 S C -1.441 173.082 174.600 -0.128 0.000 1.115 323 S CA -0.816 57.394 58.200 0.017 0.000 0.889 323 S CB 2.352 65.578 63.200 0.042 0.000 1.116 323 S HN 0.826 nan 8.310 nan 0.000 0.486 324 I N 0.907 121.498 120.570 0.036 0.000 2.752 324 I HA 0.531 4.304 4.170 -0.662 0.000 0.295 324 I C -1.860 174.297 176.117 0.067 0.000 1.219 324 I CA -1.244 60.069 61.300 0.021 0.000 1.030 324 I CB 1.640 39.688 38.000 0.080 0.000 1.259 324 I HN 0.793 nan 8.210 nan 0.000 0.423 325 I N 5.531 126.114 120.570 0.021 0.000 2.359 325 I HA 0.326 4.099 4.170 -0.662 0.000 0.294 325 I C -1.112 175.035 176.117 0.051 0.000 0.987 325 I CA -0.272 61.016 61.300 -0.020 0.000 1.225 325 I CB 1.559 39.484 38.000 -0.125 0.000 1.366 325 I HN 0.473 nan 8.210 nan 0.000 0.466 326 D N 7.325 127.743 120.400 0.031 0.000 2.505 326 D HA 0.427 4.670 4.640 -0.662 0.000 0.250 326 D C -0.792 175.501 176.300 -0.012 0.000 1.164 326 D CA -0.292 53.737 54.000 0.048 0.000 0.870 326 D CB 1.120 41.987 40.800 0.111 0.000 1.160 326 D HN 0.257 nan 8.370 nan 0.000 0.549 327 I N 4.178 124.764 120.570 0.027 0.000 2.291 327 I HA 0.276 4.048 4.170 -0.662 0.000 0.290 327 I C -0.225 175.908 176.117 0.025 0.000 1.050 327 I CA -0.635 60.663 61.300 -0.003 0.000 1.245 327 I CB 0.717 38.764 38.000 0.078 0.000 1.405 327 I HN 0.296 nan 8.210 nan 0.000 0.478 328 C N 4.334 123.648 119.300 0.023 0.000 2.350 328 C HA 0.452 4.515 4.460 -0.662 0.000 0.348 328 C C -0.011 175.109 174.990 0.218 0.000 1.260 328 C CA -0.718 58.377 59.018 0.128 0.000 1.966 328 C CB 0.548 28.402 27.740 0.191 0.000 2.380 328 C HN 0.573 nan 8.230 nan 0.000 0.535 329 D N 0.540 121.019 120.400 0.132 0.000 2.256 329 D HA 0.242 4.485 4.640 -0.662 0.000 0.246 329 D C -0.550 175.632 176.300 -0.197 0.000 1.042 329 D CA -0.241 53.786 54.000 0.045 0.000 0.841 329 D CB 1.017 41.818 40.800 0.002 0.000 1.223 329 D HN 0.585 nan 8.370 nan 0.000 0.470 330 Y N 1.729 121.614 120.300 -0.691 0.000 2.526 330 Y HA 0.109 4.262 4.550 -0.662 0.000 0.330 330 Y C 0.092 175.646 175.900 -0.577 0.000 1.156 330 Y CA -0.000 57.384 58.100 -1.194 0.000 1.419 330 Y CB 0.567 38.192 38.460 -1.392 0.000 1.250 330 Y HN 0.151 nan 8.280 nan 0.000 0.540 331 D N 5.687 125.455 120.400 -1.053 0.000 2.443 331 D HA 0.102 4.344 4.640 -0.662 0.000 0.221 331 D C 0.489 176.227 176.300 -0.937 0.000 1.097 331 D CA -0.087 53.483 54.000 -0.717 0.000 0.865 331 D CB 0.637 41.132 40.800 -0.508 0.000 1.034 331 D HN 0.800 nan 8.370 nan 0.000 0.511 332 E N 1.336 121.169 120.200 -0.612 0.000 2.219 332 E HA -0.193 3.760 4.350 -0.662 0.000 0.198 332 E C 1.570 178.022 176.600 -0.245 0.000 0.998 332 E CA 1.263 57.441 56.400 -0.370 0.000 0.818 332 E CB 0.142 29.807 29.700 -0.058 0.000 0.741 332 E HN 0.552 nan 8.360 nan 0.000 0.477 333 S N -0.141 115.424 115.700 -0.225 0.000 2.470 333 S HA -0.055 4.018 4.470 -0.662 0.000 0.225 333 S C 1.950 176.468 174.600 -0.135 0.000 1.006 333 S CA 1.157 59.276 58.200 -0.135 0.000 0.934 333 S CB 0.052 63.191 63.200 -0.101 0.000 0.778 333 S HN 0.306 nan 8.310 nan 0.000 0.517 334 T N -4.301 110.121 114.554 -0.221 0.000 3.004 334 T HA 0.545 4.498 4.350 -0.662 0.000 0.266 334 T C 1.547 176.135 174.700 -0.186 0.000 0.986 334 T CA 0.624 62.626 62.100 -0.165 0.000 0.902 334 T CB 0.129 68.903 68.868 -0.156 0.000 1.118 334 T HN 1.104 nan 8.240 nan 0.000 0.522 335 G N 2.335 110.912 108.800 -0.372 0.000 2.184 335 G HA2 -0.274 3.289 3.960 -0.662 0.000 0.264 335 G HA3 -0.274 3.289 3.960 -0.662 0.000 0.264 335 G C 0.243 174.916 174.900 -0.378 0.000 0.975 335 G CA 0.113 45.065 45.100 -0.246 0.000 0.642 335 G HN 0.713 nan 8.290 nan 0.000 0.536 336 R N -1.205 118.922 120.500 -0.622 0.000 2.637 336 R HA 0.460 4.403 4.340 -0.662 0.000 0.269 336 R C -0.591 175.134 176.300 -0.959 0.000 1.089 336 R CA -0.183 55.319 56.100 -0.997 0.000 1.177 336 R CB 0.542 30.422 30.300 -0.700 0.000 1.091 336 R HN 0.202 nan 8.270 nan 0.000 0.540 337 W N 1.781 122.590 121.300 -0.819 0.000 2.361 337 W HA 0.433 4.697 4.660 -0.661 0.000 0.314 337 W C -0.322 176.104 176.519 -0.155 0.000 1.041 337 W CA -0.295 56.898 57.345 -0.254 0.000 1.241 337 W CB 0.809 30.244 29.460 -0.043 0.000 1.279 337 W HN 0.281 nan 8.180 nan 0.000 0.436 338 I N 3.772 124.336 120.570 -0.011 0.000 2.412 338 I HA 0.376 4.149 4.170 -0.662 0.000 0.296 338 I C 0.405 176.553 176.117 0.052 0.000 0.987 338 I CA -0.698 60.607 61.300 0.008 0.000 1.180 338 I CB 1.403 39.359 38.000 -0.072 0.000 1.340 338 I HN 0.329 nan 8.210 nan 0.000 0.455 339 S N 3.637 119.370 115.700 0.055 0.000 2.638 339 S HA 0.812 4.885 4.470 -0.662 0.000 0.298 339 S C -0.351 174.259 174.600 0.017 0.000 1.111 339 S CA -0.705 57.520 58.200 0.042 0.000 1.027 339 S CB 1.839 65.064 63.200 0.041 0.000 1.064 339 S HN 0.684 nan 8.310 nan 0.000 0.525 340 S N -0.052 115.654 115.700 0.011 0.000 2.546 340 S HA 0.458 4.531 4.470 -0.662 0.000 0.274 340 S C 0.492 175.084 174.600 -0.014 0.000 1.121 340 S CA -0.814 57.384 58.200 -0.002 0.000 0.887 340 S CB 1.043 64.244 63.200 0.001 0.000 1.094 340 S HN 0.486 nan 8.310 nan 0.000 0.474 341 V N 2.023 121.922 119.914 -0.024 0.000 2.469 341 V HA -0.171 3.552 4.120 -0.662 0.000 0.251 341 V C 2.908 178.964 176.094 -0.063 0.000 1.064 341 V CA 2.542 64.818 62.300 -0.040 0.000 1.066 341 V CB -1.440 30.363 31.823 -0.034 0.000 0.667 341 V HN 1.041 nan 8.190 nan 0.000 0.461 342 A N -0.513 122.281 122.820 -0.044 0.000 2.070 342 A HA -0.163 3.760 4.320 -0.662 0.000 0.220 342 A C 2.235 179.781 177.584 -0.064 0.000 1.159 342 A CA 1.371 53.380 52.037 -0.048 0.000 0.656 342 A CB -0.403 18.590 19.000 -0.012 0.000 0.800 342 A HN 0.505 nan 8.150 nan 0.000 0.453 343 R N -0.560 119.919 120.500 -0.035 0.000 2.466 343 R HA 0.191 4.134 4.340 -0.662 0.000 0.279 343 R C -0.383 175.895 176.300 -0.037 0.000 0.976 343 R CA -0.021 56.099 56.100 0.033 0.000 1.081 343 R CB 0.207 30.562 30.300 0.092 0.000 1.215 343 R HN 0.585 nan 8.270 nan 0.000 0.546 344 Q N -0.237 119.434 119.800 -0.215 0.000 2.282 344 Q HA 0.267 4.210 4.340 -0.662 0.000 0.260 344 Q C -1.219 174.513 176.000 -0.447 0.000 0.964 344 Q CA -0.574 55.123 55.803 -0.178 0.000 0.880 344 Q CB 1.914 30.603 28.738 -0.081 0.000 1.286 344 Q HN 0.227 nan 8.270 nan 0.000 0.445 345 H N 1.336 120.402 119.070 -0.007 0.000 2.727 345 H HA 0.401 4.560 4.556 -0.662 0.000 0.330 345 H C -0.766 174.516 175.328 -0.077 0.000 0.986 345 H CA -0.393 55.640 56.048 -0.024 0.000 1.251 345 H CB 0.890 30.614 29.762 -0.064 0.000 1.493 345 H HN 0.436 nan 8.280 nan 0.000 0.515 346 I N 2.071 122.632 120.570 -0.014 0.000 2.440 346 I HA 0.244 4.017 4.170 -0.662 0.000 0.294 346 I C 0.203 176.247 176.117 -0.122 0.000 0.995 346 I CA -0.175 61.035 61.300 -0.151 0.000 1.306 346 I CB 1.275 39.149 38.000 -0.210 0.000 1.407 346 I HN 0.589 nan 8.210 nan 0.000 0.501 347 E N 7.269 127.343 120.200 -0.210 0.000 2.260 347 E HA 0.579 4.532 4.350 -0.662 0.000 0.266 347 E C -1.441 175.058 176.600 -0.168 0.000 0.887 347 E CA -0.601 55.733 56.400 -0.110 0.000 0.777 347 E CB 2.088 31.764 29.700 -0.040 0.000 1.205 347 E HN 0.632 nan 8.360 nan 0.000 0.414 348 I N 0.071 120.581 120.570 -0.099 0.000 3.042 348 I HA 0.729 4.502 4.170 -0.662 0.000 0.310 348 I C -1.108 175.000 176.117 -0.016 0.000 1.117 348 I CA -0.821 60.445 61.300 -0.057 0.000 1.003 348 I CB 2.392 40.379 38.000 -0.021 0.000 1.228 348 I HN 0.366 nan 8.210 nan 0.000 0.443 349 S N 0.796 116.493 115.700 -0.005 0.000 2.614 349 S HA 0.455 4.528 4.470 -0.662 0.000 0.288 349 S C 0.332 174.913 174.600 -0.031 0.000 1.137 349 S CA 0.057 58.236 58.200 -0.034 0.000 0.992 349 S CB 1.386 64.528 63.200 -0.097 0.000 1.026 349 S HN 0.895 nan 8.310 nan 0.000 0.486 350 T N 0.022 114.559 114.554 -0.028 0.000 3.037 350 T HA 0.063 4.015 4.350 -0.662 0.000 0.251 350 T C 1.412 176.086 174.700 -0.042 0.000 1.079 350 T CA 0.914 63.001 62.100 -0.021 0.000 1.067 350 T CB -0.218 68.646 68.868 -0.007 0.000 0.948 350 T HN 0.669 nan 8.240 nan 0.000 0.496 351 T N -2.282 112.230 114.554 -0.069 0.000 3.044 351 T HA 0.650 4.603 4.350 -0.662 0.000 0.260 351 T C 0.988 175.525 174.700 -0.271 0.000 1.019 351 T CA 0.350 62.403 62.100 -0.079 0.000 0.921 351 T CB 0.501 69.381 68.868 0.020 0.000 1.053 351 T HN 0.613 nan 8.240 nan 0.000 0.533 352 G N 0.669 109.195 108.800 -0.458 0.000 2.637 352 G HA2 0.450 4.013 3.960 -0.662 0.000 0.112 352 G HA3 0.450 4.013 3.960 -0.662 0.000 0.112 352 G C -1.767 172.927 174.900 -0.343 0.000 1.181 352 G CA -0.437 44.243 45.100 -0.700 0.000 1.150 352 G HN 0.533 nan 8.290 nan 0.000 0.561 353 W N 0.005 121.018 121.300 -0.480 0.000 2.671 353 W HA 0.797 5.062 4.660 -0.659 0.000 0.360 353 W C -0.444 176.022 176.519 -0.089 0.000 1.128 353 W CA -1.419 55.793 57.345 -0.221 0.000 1.184 353 W CB 1.171 30.488 29.460 -0.237 0.000 1.415 353 W HN 0.296 nan 8.180 nan 0.000 0.604 354 V N 3.525 123.509 119.914 0.117 0.000 2.461 354 V HA 0.609 4.332 4.120 -0.662 0.000 0.275 354 V C 0.930 177.097 176.094 0.122 0.000 1.047 354 V CA 0.771 63.107 62.300 0.061 0.000 0.955 354 V CB -0.090 31.775 31.823 0.071 0.000 0.988 354 V HN 1.286 nan 8.190 nan 0.000 0.471 355 G N 5.578 114.402 108.800 0.041 0.000 2.750 355 G HA2 -0.220 3.343 3.960 -0.662 0.000 0.228 355 G HA3 -0.220 3.343 3.960 -0.662 0.000 0.228 355 G C 0.452 175.412 174.900 0.100 0.000 1.367 355 G CA 0.382 45.528 45.100 0.076 0.000 0.871 355 G HN 0.633 nan 8.290 nan 0.000 0.560 356 R N -1.330 119.232 120.500 0.104 0.000 2.052 356 R HA 0.225 4.168 4.340 -0.662 0.000 0.226 356 R C 2.119 178.349 176.300 -0.117 0.000 1.145 356 R CA 1.999 58.094 56.100 -0.010 0.000 0.952 356 R CB -0.090 30.205 30.300 -0.009 0.000 0.847 356 R HN 0.437 nan 8.270 nan 0.000 0.431 357 F N -0.562 119.549 119.950 0.268 0.000 2.789 357 F HA 0.278 4.408 4.527 -0.662 0.000 0.320 357 F C 0.452 176.325 175.800 0.121 0.000 1.079 357 F CA -0.401 57.709 58.000 0.184 0.000 1.205 357 F CB 0.756 39.861 39.000 0.176 0.000 1.046 357 F HN -0.095 nan 8.300 nan 0.000 0.586 358 R N -0.430 120.246 120.500 0.293 0.000 2.709 358 R HA 0.367 4.310 4.340 -0.662 0.000 0.270 358 R C -3.383 173.019 176.300 0.169 0.000 1.038 358 R CA -1.707 54.510 56.100 0.195 0.000 0.872 358 R CB 0.618 31.019 30.300 0.169 0.000 1.259 358 R HN -0.351 nan 8.270 nan 0.000 0.473 359 P HA 0.034 nan 4.420 nan 0.000 0.267 359 P C -0.280 177.073 177.300 0.088 0.000 1.200 359 P CA 0.087 63.241 63.100 0.090 0.000 0.772 359 P CB 0.573 32.304 31.700 0.051 0.000 0.855 360 A N 3.064 125.940 122.820 0.094 0.000 2.406 360 A HA 0.156 4.079 4.320 -0.662 0.000 0.243 360 A C 0.556 178.184 177.584 0.073 0.000 1.082 360 A CA -0.254 51.852 52.037 0.115 0.000 0.786 360 A CB -0.104 18.978 19.000 0.137 0.000 1.029 360 A HN 0.493 nan 8.150 nan 0.000 0.495 361 E N 1.708 121.964 120.200 0.094 0.000 2.331 361 E HA 0.318 4.271 4.350 -0.662 0.000 0.272 361 E C -2.369 174.248 176.600 0.027 0.000 1.036 361 E CA -1.695 54.708 56.400 0.005 0.000 0.864 361 E CB 0.648 30.332 29.700 -0.027 0.000 1.035 361 E HN 0.449 nan 8.360 nan 0.000 0.408 362 P HA 0.145 nan 4.420 nan 0.000 0.279 362 P C -0.644 176.552 177.300 -0.174 0.000 1.239 362 P CA -0.055 62.908 63.100 -0.228 0.000 0.789 362 P CB 0.793 31.975 31.700 -0.863 0.000 0.933 363 H N 2.781 121.864 119.070 0.021 0.000 2.718 363 H HA 0.273 4.432 4.556 -0.662 0.000 0.295 363 H C -0.112 175.327 175.328 0.185 0.000 1.051 363 H CA -0.372 55.770 56.048 0.156 0.000 1.260 363 H CB 0.248 30.126 29.762 0.193 0.000 1.403 363 H HN 0.317 nan 8.280 nan 0.000 0.488 364 F N 1.706 121.806 119.950 0.250 0.000 2.382 364 F HA 0.055 4.184 4.527 -0.662 0.000 0.331 364 F C 1.602 177.572 175.800 0.282 0.000 1.121 364 F CA -0.414 57.749 58.000 0.272 0.000 1.183 364 F CB 0.919 40.008 39.000 0.149 0.000 1.207 364 F HN 0.358 nan 8.300 nan 0.000 0.555 365 T N -1.832 113.008 114.554 0.476 0.000 2.828 365 T HA 0.102 4.055 4.350 -0.662 0.000 0.290 365 T C 1.341 176.221 174.700 0.301 0.000 1.019 365 T CA -0.213 62.101 62.100 0.357 0.000 1.031 365 T CB 1.330 70.386 68.868 0.314 0.000 1.001 365 T HN 0.664 nan 8.240 nan 0.000 0.531 366 S N 0.996 116.834 115.700 0.230 0.000 2.381 366 S HA -0.243 3.830 4.470 -0.662 0.000 0.230 366 S C 1.609 176.316 174.600 0.178 0.000 1.052 366 S CA 2.164 60.477 58.200 0.188 0.000 1.068 366 S CB -1.052 62.239 63.200 0.151 0.000 0.918 366 S HN 0.902 nan 8.310 nan 0.000 0.448 367 D N -0.804 119.703 120.400 0.179 0.000 2.347 367 D HA 0.114 4.357 4.640 -0.662 0.000 0.213 367 D C 1.542 177.949 176.300 0.179 0.000 0.985 367 D CA 0.897 54.992 54.000 0.159 0.000 0.879 367 D CB -0.720 40.165 40.800 0.142 0.000 0.919 367 D HN 0.687 nan 8.370 nan 0.000 0.526 368 G N 1.447 110.392 108.800 0.243 0.000 2.162 368 G HA2 -0.366 3.197 3.960 -0.662 0.000 0.260 368 G HA3 -0.366 3.197 3.960 -0.662 0.000 0.260 368 G C 0.738 175.836 174.900 0.330 0.000 0.976 368 G CA 0.485 45.755 45.100 0.283 0.000 0.655 368 G HN 0.460 nan 8.290 nan 0.000 0.533 369 N N -0.014 118.847 118.700 0.269 0.000 2.446 369 N HA 0.272 4.615 4.740 -0.662 0.000 0.179 369 N C 1.035 176.681 175.510 0.227 0.000 1.054 369 N CA 0.862 54.045 53.050 0.222 0.000 0.905 369 N CB 0.169 38.749 38.487 0.155 0.000 0.973 369 N HN 0.712 nan 8.380 nan 0.000 0.448 370 S N -0.472 115.389 115.700 0.269 0.000 2.671 370 S HA 0.704 4.777 4.470 -0.662 0.000 0.277 370 S C -1.219 173.475 174.600 0.156 0.000 1.165 370 S CA -1.095 57.181 58.200 0.127 0.000 0.822 370 S CB 1.486 64.726 63.200 0.067 0.000 1.150 370 S HN 0.167 nan 8.310 nan 0.000 0.479 371 F N -1.920 117.869 119.950 -0.268 0.000 2.686 371 F HA 0.830 4.960 4.527 -0.662 0.000 0.311 371 F C -2.317 173.264 175.800 -0.364 0.000 1.128 371 F CA -1.494 56.252 58.000 -0.424 0.000 0.946 371 F CB 0.679 38.955 39.000 -1.207 0.000 1.336 371 F HN 0.603 nan 8.300 nan 0.000 0.457 372 Y N 1.310 121.723 120.300 0.189 0.000 2.393 372 Y HA 0.672 4.825 4.550 -0.662 0.000 0.341 372 Y C -0.329 175.726 175.900 0.259 0.000 0.988 372 Y CA -0.875 57.314 58.100 0.149 0.000 1.078 372 Y CB 2.209 40.703 38.460 0.057 0.000 1.203 372 Y HN 0.765 nan 8.280 nan 0.000 0.453 373 K N 3.157 123.780 120.400 0.372 0.000 2.523 373 K HA 0.564 4.487 4.320 -0.662 0.000 0.257 373 K C -1.726 175.025 176.600 0.251 0.000 0.932 373 K CA -0.604 55.874 56.287 0.319 0.000 0.812 373 K CB 1.667 34.342 32.500 0.291 0.000 1.326 373 K HN 0.735 nan 8.250 nan 0.000 0.433 374 I N 6.014 126.698 120.570 0.189 0.000 2.416 374 I HA 0.266 4.039 4.170 -0.662 0.000 0.288 374 I C 0.221 176.437 176.117 0.165 0.000 1.051 374 I CA -0.280 61.110 61.300 0.150 0.000 1.375 374 I CB 0.422 38.483 38.000 0.102 0.000 1.407 374 I HN 0.513 nan 8.210 nan 0.000 0.516 375 I N 1.330 122.024 120.570 0.208 0.000 3.095 375 I HA 0.499 4.272 4.170 -0.662 0.000 0.310 375 I C -0.491 175.745 176.117 0.197 0.000 1.196 375 I CA -0.851 60.566 61.300 0.195 0.000 0.985 375 I CB 2.142 40.282 38.000 0.234 0.000 1.250 375 I HN 0.228 nan 8.210 nan 0.000 0.446 376 S N 2.726 118.490 115.700 0.105 0.000 2.549 376 S HA 0.205 4.278 4.470 -0.662 0.000 0.279 376 S C 0.172 174.818 174.600 0.078 0.000 1.321 376 S CA -0.348 57.862 58.200 0.017 0.000 1.054 376 S CB 0.098 63.255 63.200 -0.072 0.000 0.899 376 S HN 0.608 nan 8.310 nan 0.000 0.497 377 N N 1.612 120.246 118.700 -0.110 0.000 2.263 377 N HA 0.044 4.387 4.740 -0.662 0.000 0.239 377 N C 0.964 176.389 175.510 -0.142 0.000 1.317 377 N CA -0.079 52.767 53.050 -0.341 0.000 0.909 377 N CB 0.305 38.609 38.487 -0.305 0.000 1.171 377 N HN 0.507 nan 8.380 nan 0.000 0.492 378 E N 0.355 120.462 120.200 -0.155 0.000 2.285 378 E HA -0.036 3.916 4.350 -0.662 0.000 0.194 378 E C 0.562 177.117 176.600 -0.075 0.000 0.997 378 E CA 0.969 57.327 56.400 -0.070 0.000 0.845 378 E CB 0.057 29.720 29.700 -0.061 0.000 0.782 378 E HN 0.590 nan 8.360 nan 0.000 0.491 379 E N -0.693 119.458 120.200 -0.081 0.000 2.474 379 E HA 0.183 4.136 4.350 -0.662 0.000 0.195 379 E C 0.710 177.251 176.600 -0.098 0.000 1.039 379 E CA 0.289 56.675 56.400 -0.023 0.000 0.881 379 E CB 0.538 30.291 29.700 0.088 0.000 0.970 379 E HN 0.296 nan 8.360 nan 0.000 0.486 380 G N 1.020 109.722 108.800 -0.164 0.000 2.176 380 G HA2 -0.298 3.265 3.960 -0.662 0.000 0.253 380 G HA3 -0.298 3.265 3.960 -0.662 0.000 0.253 380 G C -0.260 174.380 174.900 -0.433 0.000 0.979 380 G CA -0.086 44.827 45.100 -0.311 0.000 0.641 380 G HN 0.257 nan 8.290 nan 0.000 0.530 381 Y N 1.106 121.282 120.300 -0.205 0.000 2.313 381 Y HA 0.534 4.687 4.550 -0.662 0.000 0.332 381 Y C 0.890 176.625 175.900 -0.275 0.000 1.071 381 Y CA -0.784 57.177 58.100 -0.232 0.000 1.169 381 Y CB 0.997 39.335 38.460 -0.203 0.000 1.192 381 Y HN -0.160 nan 8.280 nan 0.000 0.487 382 K N 4.776 125.051 120.400 -0.208 0.000 2.378 382 K HA 0.169 4.092 4.320 -0.662 0.000 0.288 382 K C -0.489 175.826 176.600 -0.475 0.000 1.057 382 K CA 0.174 56.335 56.287 -0.209 0.000 0.971 382 K CB -0.024 32.400 32.500 -0.126 0.000 0.975 382 K HN 0.733 nan 8.250 nan 0.000 0.475 383 H N 1.222 120.237 119.070 -0.092 0.000 2.949 383 H HA 0.405 4.565 4.556 -0.661 0.000 0.356 383 H C -0.015 175.352 175.328 0.065 0.000 1.212 383 H CA -0.938 55.023 56.048 -0.146 0.000 1.136 383 H CB 1.630 31.166 29.762 -0.376 0.000 1.869 383 H HN 0.330 nan 8.280 nan 0.000 0.556 384 I N 1.300 121.940 120.570 0.118 0.000 2.416 384 I HA 0.045 3.818 4.170 -0.662 0.000 0.288 384 I C 0.310 176.499 176.117 0.121 0.000 1.051 384 I CA 0.094 61.445 61.300 0.086 0.000 1.375 384 I CB 0.400 38.356 38.000 -0.074 0.000 1.407 384 I HN 0.149 nan 8.210 nan 0.000 0.516 385 c N 6.691 125.294 118.600 0.005 0.000 2.382 385 c HA 0.311 4.484 4.570 -0.662 0.000 0.327 385 c C 0.052 173.968 174.090 -0.291 0.000 1.250 385 c CA -0.435 55.656 56.329 -0.397 0.000 1.707 385 c CB 0.556 42.536 42.510 -0.884 0.000 2.272 385 c HN 0.744 nan 8.230 nan 0.000 0.506 386 H N 4.201 122.935 119.070 -0.559 0.000 2.594 386 H HA 0.469 4.628 4.556 -0.662 0.000 0.304 386 H C -1.241 173.593 175.328 -0.824 0.000 1.068 386 H CA -0.272 55.369 56.048 -0.678 0.000 1.308 386 H CB 0.416 29.897 29.762 -0.467 0.000 1.409 386 H HN 0.574 nan 8.280 nan 0.000 0.460 387 F N 2.447 121.752 119.950 -1.076 0.000 2.458 387 F HA 0.226 4.356 4.527 -0.662 0.000 0.330 387 F C 0.202 175.376 175.800 -1.043 0.000 1.082 387 F CA -0.882 56.407 58.000 -1.186 0.000 0.995 387 F CB 1.683 39.572 39.000 -1.852 0.000 1.170 387 F HN 0.461 nan 8.300 nan 0.000 0.478 388 Q N 1.272 120.806 119.800 -0.444 0.000 2.256 388 Q HA 0.194 4.136 4.340 -0.662 0.000 0.254 388 Q C 0.957 176.971 176.000 0.023 0.000 0.916 388 Q CA -0.030 55.641 55.803 -0.220 0.000 0.932 388 Q CB 1.655 30.308 28.738 -0.142 0.000 1.207 388 Q HN 0.772 nan 8.270 nan 0.000 0.426 389 T N 1.522 116.170 114.554 0.156 0.000 2.737 389 T HA -0.199 3.754 4.350 -0.662 0.000 0.269 389 T C 0.651 175.592 174.700 0.403 0.000 1.040 389 T CA 2.121 64.451 62.100 0.384 0.000 1.142 389 T CB -0.032 69.069 68.868 0.390 0.000 0.861 389 T HN 0.635 nan 8.240 nan 0.000 0.456 390 D N -0.421 120.115 120.400 0.227 0.000 2.424 390 D HA 0.148 4.391 4.640 -0.662 0.000 0.220 390 D C 0.228 176.582 176.300 0.090 0.000 1.150 390 D CA -0.244 53.844 54.000 0.146 0.000 0.831 390 D CB 0.258 41.111 40.800 0.090 0.000 0.981 390 D HN 0.040 nan 8.370 nan 0.000 0.500 391 K N -0.148 120.330 120.400 0.131 0.000 2.328 391 K HA 0.370 4.293 4.320 -0.662 0.000 0.246 391 K C 0.744 177.411 176.600 0.111 0.000 0.955 391 K CA -0.521 55.801 56.287 0.059 0.000 0.817 391 K CB 1.905 34.403 32.500 -0.005 0.000 1.208 391 K HN 0.018 nan 8.250 nan 0.000 0.432 392 S N 0.040 115.761 115.700 0.034 0.000 2.470 392 S HA 0.045 4.118 4.470 -0.662 0.000 0.222 392 S C 0.434 175.071 174.600 0.063 0.000 1.024 392 S CA 0.169 58.407 58.200 0.064 0.000 0.931 392 S CB -0.102 63.094 63.200 -0.007 0.000 0.791 392 S HN 0.508 nan 8.310 nan 0.000 0.513 393 N N 1.565 120.237 118.700 -0.047 0.000 2.518 393 N HA 0.507 4.850 4.740 -0.662 0.000 0.283 393 N C -0.219 175.085 175.510 -0.343 0.000 1.119 393 N CA -0.200 52.755 53.050 -0.158 0.000 0.983 393 N CB 1.246 39.647 38.487 -0.142 0.000 1.139 393 N HN 0.631 nan 8.380 nan 0.000 0.465 394 c N -0.833 117.415 118.600 -0.585 0.000 2.771 394 c HA 0.818 4.991 4.570 -0.662 0.000 0.333 394 c C -0.218 173.449 174.090 -0.705 0.000 1.267 394 c CA -0.711 55.038 56.329 -0.966 0.000 1.721 394 c CB 1.240 42.522 42.510 -2.047 0.000 2.222 394 c HN 0.560 nan 8.230 nan 0.000 0.485 395 T N 1.907 116.079 114.554 -0.637 0.000 2.809 395 T HA 0.491 4.444 4.350 -0.662 0.000 0.284 395 T C -0.760 173.721 174.700 -0.365 0.000 0.992 395 T CA 0.120 62.000 62.100 -0.366 0.000 0.957 395 T CB 0.398 69.198 68.868 -0.115 0.000 0.942 395 T HN 0.485 nan 8.240 nan 0.000 0.439 396 F N 3.314 123.147 119.950 -0.195 0.000 2.538 396 F HA 0.223 4.353 4.527 -0.662 0.000 0.371 396 F C 1.611 177.258 175.800 -0.256 0.000 1.087 396 F CA -0.793 57.079 58.000 -0.213 0.000 1.250 396 F CB 0.361 39.238 39.000 -0.204 0.000 1.110 396 F HN 0.585 nan 8.300 nan 0.000 0.570 397 I N -0.579 119.883 120.570 -0.181 0.000 4.057 397 I HA 0.254 4.027 4.170 -0.662 0.000 0.334 397 I C 0.125 176.063 176.117 -0.299 0.000 1.308 397 I CA 0.087 61.044 61.300 -0.573 0.000 1.125 397 I CB 0.090 37.413 38.000 -1.129 0.000 1.034 397 I HN 0.480 nan 8.210 nan 0.000 0.401 398 T N -0.042 114.394 114.554 -0.196 0.000 2.896 398 T HA 0.720 4.673 4.350 -0.662 0.000 0.297 398 T C -0.768 173.540 174.700 -0.655 0.000 1.108 398 T CA -0.692 61.260 62.100 -0.247 0.000 1.004 398 T CB 2.694 71.476 68.868 -0.143 0.000 1.159 398 T HN 0.330 nan 8.240 nan 0.000 0.499 399 K N -0.042 119.775 120.400 -0.971 0.000 2.607 399 K HA 0.790 4.713 4.320 -0.662 0.000 0.287 399 K C -0.457 175.410 176.600 -1.222 0.000 0.996 399 K CA -0.488 54.923 56.287 -1.459 0.000 0.876 399 K CB 1.370 33.439 32.500 -0.719 0.000 1.496 399 K HN 1.850 nan 8.250 nan 0.000 0.415 400 G N -0.753 107.386 108.800 -1.101 0.000 2.339 400 G HA2 0.399 3.962 3.960 -0.662 0.000 0.381 400 G HA3 0.399 3.962 3.960 -0.662 0.000 0.381 400 G C -1.223 173.096 174.900 -0.969 0.000 1.400 400 G CA -0.298 44.321 45.100 -0.801 0.000 1.002 400 G HN 0.957 nan 8.290 nan 0.000 0.633 401 A N 1.208 123.629 122.820 -0.666 0.000 3.077 401 A HA 0.624 4.547 4.320 -0.662 0.000 0.255 401 A C 0.343 177.668 177.584 -0.432 0.000 1.728 401 A CA 0.709 52.145 52.037 -1.001 0.000 1.383 401 A CB -1.222 17.525 19.000 -0.421 0.000 1.097 401 A HN 1.752 nan 8.150 nan 0.000 0.634 402 W N -1.043 120.004 121.300 -0.422 0.000 2.895 402 W HA 0.619 4.882 4.660 -0.662 0.000 0.377 402 W C -1.218 175.273 176.519 -0.047 0.000 1.191 402 W CA -0.763 56.540 57.345 -0.070 0.000 1.179 402 W CB 0.355 29.785 29.460 -0.050 0.000 1.469 402 W HN 0.225 nan 8.180 nan 0.000 0.577 403 E N 0.780 121.190 120.200 0.351 0.000 2.317 403 E HA 0.450 4.403 4.350 -0.662 0.000 0.270 403 E C -1.209 175.510 176.600 0.197 0.000 0.885 403 E CA -1.149 55.258 56.400 0.011 0.000 0.760 403 E CB 3.420 33.160 29.700 0.067 0.000 1.227 403 E HN 0.162 nan 8.360 nan 0.000 0.434 404 V N 3.858 123.747 119.914 -0.041 0.000 2.488 404 V HA 0.024 3.747 4.120 -0.662 0.000 0.277 404 V C 1.159 177.329 176.094 0.125 0.000 1.046 404 V CA -0.043 62.313 62.300 0.093 0.000 0.986 404 V CB 0.659 32.417 31.823 -0.108 0.000 0.989 404 V HN 0.688 nan 8.190 nan 0.000 0.475 405 I N 3.152 123.834 120.570 0.186 0.000 2.400 405 I HA 0.260 4.033 4.170 -0.662 0.000 0.248 405 I C 1.115 177.343 176.117 0.185 0.000 1.109 405 I CA 1.183 62.594 61.300 0.184 0.000 1.425 405 I CB -0.785 37.277 38.000 0.102 0.000 1.094 405 I HN 0.744 nan 8.210 nan 0.000 0.425 406 G N 0.620 109.527 108.800 0.179 0.000 2.632 406 G HA2 0.549 4.112 3.960 -0.662 0.000 0.292 406 G HA3 0.549 4.112 3.960 -0.662 0.000 0.292 406 G C -1.324 173.651 174.900 0.125 0.000 1.465 406 G CA -0.561 44.632 45.100 0.155 0.000 0.824 406 G HN -0.039 nan 8.290 nan 0.000 0.509 407 I N 1.482 122.044 120.570 -0.013 0.000 2.325 407 I HA 0.249 4.021 4.170 -0.662 0.000 0.291 407 I C 0.896 176.942 176.117 -0.119 0.000 1.019 407 I CA -0.482 60.722 61.300 -0.161 0.000 1.302 407 I CB 1.804 39.451 38.000 -0.588 0.000 1.401 407 I HN 0.565 nan 8.210 nan 0.000 0.485 408 E N 4.843 125.039 120.200 -0.006 0.000 2.201 408 E HA 0.256 4.209 4.350 -0.662 0.000 0.193 408 E C 0.212 176.768 176.600 -0.074 0.000 0.957 408 E CA 0.284 56.710 56.400 0.043 0.000 0.858 408 E CB 0.834 30.614 29.700 0.133 0.000 0.816 408 E HN 0.711 nan 8.360 nan 0.000 0.475 409 A N 0.730 123.422 122.820 -0.214 0.000 2.604 409 A HA 0.585 4.508 4.320 -0.662 0.000 0.295 409 A C -1.926 175.606 177.584 -0.086 0.000 1.067 409 A CA -0.626 51.247 52.037 -0.272 0.000 0.683 409 A CB 1.449 19.878 19.000 -0.950 0.000 1.281 409 A HN 0.055 nan 8.150 nan 0.000 0.407 410 L N 1.368 122.589 121.223 -0.004 0.000 2.436 410 L HA 0.852 4.795 4.340 -0.662 0.000 0.268 410 L C 0.111 177.028 176.870 0.078 0.000 0.974 410 L CA 0.481 55.342 54.840 0.034 0.000 0.826 410 L CB 2.230 44.331 42.059 0.070 0.000 1.291 410 L HN 1.219 nan 8.230 nan 0.000 0.406 411 T N -0.460 114.153 114.554 0.098 0.000 2.807 411 T HA 0.421 4.374 4.350 -0.662 0.000 0.277 411 T C 0.989 175.746 174.700 0.095 0.000 1.006 411 T CA 0.074 62.248 62.100 0.124 0.000 1.006 411 T CB 1.087 70.068 68.868 0.188 0.000 1.274 411 T HN 0.660 nan 8.240 nan 0.000 0.569 412 S N -0.243 115.513 115.700 0.094 0.000 2.419 412 S HA -0.082 3.991 4.470 -0.662 0.000 0.233 412 S C 0.858 175.453 174.600 -0.007 0.000 1.016 412 S CA 1.108 59.345 58.200 0.062 0.000 0.974 412 S CB -0.500 62.739 63.200 0.065 0.000 0.786 412 S HN 0.739 nan 8.310 nan 0.000 0.492 413 D N -0.764 119.614 120.400 -0.037 0.000 2.454 413 D HA 0.248 4.491 4.640 -0.662 0.000 0.219 413 D C -0.428 175.518 176.300 -0.590 0.000 1.081 413 D CA 0.450 54.260 54.000 -0.317 0.000 0.867 413 D CB 0.327 40.881 40.800 -0.410 0.000 1.054 413 D HN 0.436 nan 8.370 nan 0.000 0.500 414 Y N -0.039 120.208 120.300 -0.088 0.000 2.605 414 Y HA 0.513 4.666 4.550 -0.662 0.000 0.343 414 Y C -0.460 175.287 175.900 -0.255 0.000 1.036 414 Y CA -1.214 56.759 58.100 -0.211 0.000 1.065 414 Y CB 2.161 40.420 38.460 -0.336 0.000 1.288 414 Y HN -0.281 nan 8.280 nan 0.000 0.481 415 L N 2.202 123.308 121.223 -0.195 0.000 2.409 415 L HA 0.538 4.481 4.340 -0.662 0.000 0.272 415 L C -2.141 174.573 176.870 -0.260 0.000 0.980 415 L CA -0.917 53.796 54.840 -0.211 0.000 0.826 415 L CB 1.201 43.065 42.059 -0.325 0.000 1.268 415 L HN 0.697 nan 8.230 nan 0.000 0.407 416 Y N 5.410 125.598 120.300 -0.187 0.000 2.360 416 Y HA 0.615 4.768 4.550 -0.662 0.000 0.337 416 Y C -0.192 175.656 175.900 -0.087 0.000 1.039 416 Y CA -0.363 57.598 58.100 -0.232 0.000 1.109 416 Y CB 1.601 39.752 38.460 -0.514 0.000 1.201 416 Y HN 0.560 nan 8.280 nan 0.000 0.458 417 Y N -0.142 120.200 120.300 0.070 0.000 2.625 417 Y HA 0.807 4.959 4.550 -0.662 0.000 0.338 417 Y C -1.759 174.225 175.900 0.140 0.000 1.123 417 Y CA -2.046 56.093 58.100 0.065 0.000 1.046 417 Y CB 1.126 39.601 38.460 0.025 0.000 1.299 417 Y HN 0.429 nan 8.280 nan 0.000 0.464 418 I N 2.974 123.723 120.570 0.298 0.000 2.404 418 I HA 0.628 4.401 4.170 -0.662 0.000 0.293 418 I C -0.401 175.918 176.117 0.336 0.000 0.992 418 I CA -0.492 60.939 61.300 0.218 0.000 1.149 418 I CB 1.954 40.035 38.000 0.136 0.000 1.315 418 I HN 0.867 nan 8.210 nan 0.000 0.446 419 S N 3.370 119.239 115.700 0.282 0.000 2.651 419 S HA 0.428 4.501 4.470 -0.662 0.000 0.279 419 S C -0.592 174.065 174.600 0.095 0.000 1.148 419 S CA -0.906 57.429 58.200 0.225 0.000 0.837 419 S CB 1.761 65.082 63.200 0.202 0.000 1.138 419 S HN 0.639 nan 8.310 nan 0.000 0.478 420 N N -0.156 118.593 118.700 0.081 0.000 2.453 420 N HA 0.154 4.497 4.740 -0.662 0.000 0.270 420 N C 0.454 175.937 175.510 -0.045 0.000 1.195 420 N CA -0.383 52.675 53.050 0.013 0.000 0.902 420 N CB 0.357 38.850 38.487 0.010 0.000 1.186 420 N HN 0.839 nan 8.380 nan 0.000 0.510 421 E N 0.235 120.258 120.200 -0.296 0.000 2.072 421 E HA -0.214 3.739 4.350 -0.662 0.000 0.190 421 E C -0.135 176.290 176.600 -0.291 0.000 0.982 421 E CA 0.352 56.308 56.400 -0.740 0.000 0.803 421 E CB -0.139 28.506 29.700 -1.758 0.000 0.755 421 E HN 0.519 nan 8.360 nan 0.000 0.453 422 H N 1.008 119.984 119.070 -0.158 0.000 3.167 422 H HA -0.057 4.102 4.556 -0.662 0.000 0.306 422 H C 0.089 175.384 175.328 -0.055 0.000 0.965 422 H CA 1.031 57.040 56.048 -0.066 0.000 1.408 422 H CB 0.249 30.001 29.762 -0.015 0.000 1.406 422 H HN 0.073 nan 8.280 nan 0.000 0.576 423 K N 3.111 123.223 120.400 -0.480 0.000 3.274 423 K HA -0.186 3.737 4.320 -0.662 0.000 0.305 423 K C 0.994 177.543 176.600 -0.085 0.000 1.225 423 K CA 1.313 57.411 56.287 -0.315 0.000 0.904 423 K CB -1.661 30.635 32.500 -0.340 0.000 1.227 423 K HN 1.115 nan 8.250 nan 0.000 0.453 424 G N 0.397 109.161 108.800 -0.060 0.000 2.225 424 G HA2 -0.343 3.219 3.960 -0.662 0.000 0.267 424 G HA3 -0.343 3.219 3.960 -0.662 0.000 0.267 424 G C 0.037 174.983 174.900 0.077 0.000 1.024 424 G CA 0.814 45.945 45.100 0.051 0.000 0.784 424 G HN 0.488 nan 8.290 nan 0.000 0.507 425 M N -1.081 118.465 119.600 -0.090 0.000 2.066 425 M HA 0.468 4.551 4.480 -0.662 0.000 0.340 425 M C -1.523 174.558 176.300 -0.364 0.000 1.053 425 M CA -2.337 52.714 55.300 -0.415 0.000 0.983 425 M CB 1.999 34.272 32.600 -0.545 0.000 1.520 425 M HN -0.086 nan 8.290 nan 0.000 0.428 426 P HA -0.040 nan 4.420 nan 0.000 0.228 426 P C 1.081 178.274 177.300 -0.178 0.000 1.151 426 P CA 1.305 64.305 63.100 -0.166 0.000 0.770 426 P CB 0.001 31.680 31.700 -0.035 0.000 0.786 427 G N -0.581 108.030 108.800 -0.316 0.000 3.233 427 G HA2 0.305 3.868 3.960 -0.662 0.000 0.227 427 G HA3 0.305 3.868 3.960 -0.662 0.000 0.227 427 G C 0.649 175.561 174.900 0.020 0.000 1.175 427 G CA 0.056 45.087 45.100 -0.115 0.000 0.781 427 G HN 0.425 nan 8.290 nan 0.000 0.542 428 G N -0.263 108.487 108.800 -0.084 0.000 2.489 428 G HA2 0.673 4.236 3.960 -0.662 0.000 0.327 428 G HA3 0.673 4.236 3.960 -0.662 0.000 0.327 428 G C -0.917 173.863 174.900 -0.200 0.000 1.189 428 G CA -0.778 44.299 45.100 -0.038 0.000 0.962 428 G HN 0.083 nan 8.290 nan 0.000 0.486 429 R N 0.853 121.203 120.500 -0.250 0.000 2.548 429 R HA 0.434 4.377 4.340 -0.662 0.000 0.280 429 R C -1.352 174.927 176.300 -0.035 0.000 1.061 429 R CA -0.804 55.135 56.100 -0.268 0.000 0.915 429 R CB 2.141 32.044 30.300 -0.662 0.000 1.210 429 R HN 0.613 nan 8.270 nan 0.000 0.442 430 N N 1.426 120.125 118.700 -0.001 0.000 2.416 430 N HA 0.366 4.709 4.740 -0.662 0.000 0.276 430 N C -1.352 174.036 175.510 -0.203 0.000 1.261 430 N CA -0.797 52.165 53.050 -0.147 0.000 0.790 430 N CB 2.754 41.068 38.487 -0.288 0.000 1.554 430 N HN 0.270 nan 8.380 nan 0.000 0.481 431 L N 1.858 122.805 121.223 -0.461 0.000 2.289 431 L HA 0.516 4.458 4.340 -0.662 0.000 0.285 431 L C -1.422 175.060 176.870 -0.646 0.000 1.049 431 L CA -0.028 54.581 54.840 -0.385 0.000 0.804 431 L CB 0.154 41.985 42.059 -0.380 0.000 1.195 431 L HN 0.423 nan 8.230 nan 0.000 0.428 432 Y N 3.835 123.793 120.300 -0.569 0.000 2.602 432 Y HA 0.683 4.835 4.550 -0.662 0.000 0.342 432 Y C -0.283 175.253 175.900 -0.606 0.000 1.029 432 Y CA -0.836 56.865 58.100 -0.666 0.000 1.080 432 Y CB 1.662 39.490 38.460 -1.053 0.000 1.284 432 Y HN 0.520 nan 8.280 nan 0.000 0.485 433 R N 2.398 122.720 120.500 -0.297 0.000 2.575 433 R HA 0.679 4.622 4.340 -0.662 0.000 0.293 433 R C -2.044 174.179 176.300 -0.127 0.000 0.983 433 R CA -0.646 55.201 56.100 -0.421 0.000 0.887 433 R CB 1.598 31.544 30.300 -0.590 0.000 1.184 433 R HN 0.871 nan 8.270 nan 0.000 0.445 434 I N 2.854 123.395 120.570 -0.048 0.000 2.509 434 I HA 0.271 4.044 4.170 -0.662 0.000 0.293 434 I C -0.689 175.455 176.117 0.045 0.000 1.020 434 I CA -0.731 60.617 61.300 0.080 0.000 1.088 434 I CB 1.985 40.078 38.000 0.156 0.000 1.267 434 I HN 0.694 nan 8.210 nan 0.000 0.430 435 Q N 5.202 125.034 119.800 0.054 0.000 2.293 435 Q HA 0.148 4.091 4.340 -0.662 0.000 0.263 435 Q C 0.087 176.051 176.000 -0.060 0.000 1.002 435 Q CA -0.511 55.218 55.803 -0.124 0.000 0.910 435 Q CB 1.300 29.971 28.738 -0.111 0.000 1.185 435 Q HN 0.782 nan 8.270 nan 0.000 0.401 436 L N 3.688 124.817 121.223 -0.157 0.000 2.265 436 L HA -0.187 3.756 4.340 -0.662 0.000 0.215 436 L C 1.434 178.284 176.870 -0.034 0.000 1.117 436 L CA 1.553 56.388 54.840 -0.008 0.000 0.782 436 L CB -0.708 41.301 42.059 -0.083 0.000 0.914 436 L HN 0.734 nan 8.230 nan 0.000 0.441 437 N N -2.501 116.110 118.700 -0.149 0.000 2.270 437 N HA 0.038 4.381 4.740 -0.662 0.000 0.198 437 N C -0.369 174.996 175.510 -0.243 0.000 1.117 437 N CA 0.077 53.013 53.050 -0.189 0.000 0.845 437 N CB 0.199 38.600 38.487 -0.144 0.000 0.980 437 N HN 0.090 nan 8.380 nan 0.000 0.486 438 D N -0.154 120.106 120.400 -0.234 0.000 2.362 438 D HA 0.012 4.255 4.640 -0.662 0.000 0.228 438 D C -0.592 175.687 176.300 -0.035 0.000 1.326 438 D CA -0.435 53.448 54.000 -0.195 0.000 0.927 438 D CB -0.221 40.518 40.800 -0.102 0.000 1.501 438 D HN -0.061 nan 8.370 nan 0.000 0.519 439 Y N 0.927 121.214 120.300 -0.021 0.000 2.716 439 Y HA -0.014 4.139 4.550 -0.661 0.000 0.302 439 Y C 2.257 178.164 175.900 0.012 0.000 1.160 439 Y CA 0.621 58.719 58.100 -0.004 0.000 1.362 439 Y CB -0.667 37.793 38.460 -0.000 0.000 0.988 439 Y HN 0.256 nan 8.280 nan 0.000 0.546 440 T N -0.938 113.689 114.554 0.121 0.000 3.043 440 T HA -0.018 3.935 4.350 -0.662 0.000 0.263 440 T C 0.766 175.513 174.700 0.079 0.000 1.094 440 T CA 0.428 62.577 62.100 0.082 0.000 1.127 440 T CB -0.047 68.842 68.868 0.035 0.000 0.905 440 T HN 0.158 nan 8.240 nan 0.000 0.490 441 K N 2.217 122.662 120.400 0.075 0.000 2.184 441 K HA 0.455 4.378 4.320 -0.662 0.000 0.259 441 K C -1.074 175.583 176.600 0.096 0.000 1.119 441 K CA -0.200 56.130 56.287 0.071 0.000 0.991 441 K CB 1.070 33.601 32.500 0.051 0.000 1.522 441 K HN 0.011 nan 8.250 nan 0.000 0.405 442 V N 2.172 122.148 119.914 0.103 0.000 2.487 442 V HA 0.435 4.158 4.120 -0.662 0.000 0.298 442 V C -0.968 175.185 176.094 0.097 0.000 1.028 442 V CA -0.290 62.085 62.300 0.125 0.000 0.860 442 V CB 1.956 33.892 31.823 0.187 0.000 0.991 442 V HN 0.646 nan 8.190 nan 0.000 0.427 443 T N 5.929 120.511 114.554 0.047 0.000 2.841 443 T HA 0.356 4.309 4.350 -0.662 0.000 0.283 443 T C -0.592 174.027 174.700 -0.135 0.000 1.000 443 T CA -0.380 61.705 62.100 -0.025 0.000 0.977 443 T CB 0.832 69.664 68.868 -0.060 0.000 0.979 443 T HN 0.994 nan 8.240 nan 0.000 0.446 444 C N 7.092 126.239 119.300 -0.254 0.000 2.373 444 C HA 0.471 4.534 4.460 -0.662 0.000 0.354 444 C C 1.679 176.355 174.990 -0.523 0.000 1.249 444 C CA -0.665 57.930 59.018 -0.706 0.000 1.784 444 C CB -1.877 25.391 27.740 -0.787 0.000 2.408 444 C HN 0.993 nan 8.230 nan 0.000 0.542 445 L N 4.696 125.590 121.223 -0.547 0.000 2.446 445 L HA 0.069 4.011 4.340 -0.662 0.000 0.219 445 L C 2.205 178.790 176.870 -0.476 0.000 1.116 445 L CA 0.990 55.592 54.840 -0.398 0.000 0.844 445 L CB -0.333 41.527 42.059 -0.332 0.000 0.970 445 L HN 0.872 nan 8.230 nan 0.000 0.457 446 S N -2.923 112.377 115.700 -0.667 0.000 2.549 446 S HA -0.012 4.061 4.470 -0.662 0.000 0.225 446 S C 1.893 176.128 174.600 -0.609 0.000 1.039 446 S CA -0.098 57.614 58.200 -0.814 0.000 0.942 446 S CB -0.362 61.939 63.200 -1.499 0.000 0.881 446 S HN 0.305 nan 8.310 nan 0.000 0.503 447 C N 2.139 121.074 119.300 -0.609 0.000 2.385 447 C HA -0.053 4.010 4.460 -0.662 0.000 0.275 447 C C 2.502 177.283 174.990 -0.347 0.000 1.207 447 C CA 1.520 60.160 59.018 -0.630 0.000 1.760 447 C CB -1.068 26.144 27.740 -0.879 0.000 2.051 447 C HN 0.589 nan 8.230 nan 0.000 0.467 448 E N -0.155 119.898 120.200 -0.245 0.000 2.474 448 E HA 0.188 4.141 4.350 -0.662 0.000 0.195 448 E C 1.887 178.451 176.600 -0.061 0.000 1.039 448 E CA -0.074 56.259 56.400 -0.112 0.000 0.881 448 E CB -0.235 29.410 29.700 -0.090 0.000 0.970 448 E HN 0.555 nan 8.360 nan 0.000 0.486 449 L N -0.007 121.175 121.223 -0.067 0.000 1.990 449 L HA -0.166 3.777 4.340 -0.662 0.000 0.213 449 L C -0.020 176.868 176.870 0.030 0.000 1.072 449 L CA 1.276 56.115 54.840 -0.003 0.000 0.755 449 L CB -0.153 41.921 42.059 0.026 0.000 0.889 449 L HN 0.098 nan 8.230 nan 0.000 0.432 450 N N -2.062 116.670 118.700 0.053 0.000 2.824 450 N HA 0.089 4.432 4.740 -0.662 0.000 0.224 450 N C -2.061 173.474 175.510 0.042 0.000 1.418 450 N CA -0.627 52.444 53.050 0.036 0.000 0.743 450 N CB 1.032 39.534 38.487 0.024 0.000 1.395 450 N HN -0.114 nan 8.380 nan 0.000 0.548 451 P HA -0.237 nan 4.420 nan 0.000 0.216 451 P C 0.521 177.853 177.300 0.053 0.000 1.154 451 P CA 1.608 64.743 63.100 0.059 0.000 0.865 451 P CB 0.558 32.293 31.700 0.058 0.000 0.789 452 E N -0.587 119.630 120.200 0.028 0.000 2.122 452 E HA -0.079 3.874 4.350 -0.662 0.000 0.190 452 E C 2.295 178.896 176.600 0.001 0.000 0.977 452 E CA 0.625 57.035 56.400 0.017 0.000 0.820 452 E CB -0.445 29.258 29.700 0.005 0.000 0.770 452 E HN 0.341 nan 8.360 nan 0.000 0.462 453 R N -0.131 120.360 120.500 -0.015 0.000 2.140 453 R HA 0.064 4.007 4.340 -0.662 0.000 0.213 453 R C 0.015 176.271 176.300 -0.073 0.000 1.059 453 R CA 0.620 56.691 56.100 -0.048 0.000 1.000 453 R CB 0.353 30.614 30.300 -0.064 0.000 0.910 453 R HN 0.009 nan 8.270 nan 0.000 0.455 454 c N 1.112 119.674 118.600 -0.062 0.000 2.321 454 c HA 0.408 4.581 4.570 -0.662 0.000 0.323 454 c C 0.075 174.153 174.090 -0.021 0.000 1.191 454 c CA -0.697 55.536 56.329 -0.160 0.000 1.455 454 c CB 1.225 43.570 42.510 -0.275 0.000 2.083 454 c HN 0.527 nan 8.230 nan 0.000 0.442 455 Q N 0.363 120.160 119.800 -0.004 0.000 2.140 455 Q HA 0.189 4.132 4.340 -0.662 0.000 0.227 455 Q C -0.852 175.248 176.000 0.166 0.000 0.798 455 Q CA 0.140 56.019 55.803 0.126 0.000 0.987 455 Q CB 1.314 30.125 28.738 0.123 0.000 1.161 455 Q HN 0.788 nan 8.270 nan 0.000 0.480 456 Y N 0.451 120.710 120.300 -0.069 0.000 2.333 456 Y HA 0.383 4.536 4.550 -0.662 0.000 0.324 456 Y C -1.642 174.230 175.900 -0.046 0.000 1.033 456 Y CA -1.131 56.982 58.100 0.021 0.000 1.224 456 Y CB 0.741 39.234 38.460 0.056 0.000 1.120 456 Y HN -0.100 nan 8.280 nan 0.000 0.457 457 Y N 2.077 122.403 120.300 0.043 0.000 2.562 457 Y HA 0.701 4.854 4.550 -0.662 0.000 0.343 457 Y C 0.086 176.035 175.900 0.082 0.000 1.025 457 Y CA -0.748 57.368 58.100 0.027 0.000 1.082 457 Y CB 2.363 40.761 38.460 -0.104 0.000 1.264 457 Y HN 0.503 nan 8.280 nan 0.000 0.478 458 S N 0.636 116.528 115.700 0.320 0.000 2.667 458 S HA 0.995 5.067 4.470 -0.662 0.000 0.292 458 S C -1.122 173.595 174.600 0.194 0.000 1.126 458 S CA -0.681 57.694 58.200 0.292 0.000 0.881 458 S CB 2.115 65.583 63.200 0.447 0.000 1.132 458 S HN 1.017 nan 8.310 nan 0.000 0.492 459 A N 0.317 123.247 122.820 0.183 0.000 2.566 459 A HA 0.901 4.824 4.320 -0.662 0.000 0.292 459 A C -0.694 177.009 177.584 0.198 0.000 1.112 459 A CA -0.718 51.386 52.037 0.112 0.000 0.707 459 A CB 1.688 20.688 19.000 -0.001 0.000 1.302 459 A HN 1.406 nan 8.150 nan 0.000 0.409 460 S N 0.329 116.121 115.700 0.154 0.000 2.776 460 S HA 0.692 4.765 4.470 -0.662 0.000 0.284 460 S C -1.566 173.187 174.600 0.255 0.000 1.160 460 S CA -0.359 58.035 58.200 0.324 0.000 1.051 460 S CB -0.046 63.396 63.200 0.402 0.000 1.037 460 S HN 0.465 nan 8.310 nan 0.000 0.485 461 F N 3.099 123.106 119.950 0.094 0.000 2.397 461 F HA 0.502 4.632 4.527 -0.662 0.000 0.331 461 F C 1.339 176.668 175.800 -0.785 0.000 1.090 461 F CA -0.362 57.493 58.000 -0.243 0.000 1.065 461 F CB 1.669 40.528 39.000 -0.235 0.000 1.184 461 F HN 0.647 nan 8.300 nan 0.000 0.499 462 S N 1.107 116.093 115.700 -1.191 0.000 2.617 462 S HA 0.106 4.179 4.470 -0.662 0.000 0.259 462 S C 1.027 175.436 174.600 -0.318 0.000 1.301 462 S CA -0.416 57.017 58.200 -1.278 0.000 0.984 462 S CB 0.263 62.763 63.200 -1.166 0.000 0.954 462 S HN 0.750 nan 8.310 nan 0.000 0.572 463 N N 0.845 119.497 118.700 -0.080 0.000 2.132 463 N HA -0.151 4.192 4.740 -0.662 0.000 0.191 463 N C 0.703 176.240 175.510 0.046 0.000 1.015 463 N CA 1.332 54.409 53.050 0.045 0.000 0.864 463 N CB -0.230 38.321 38.487 0.106 0.000 1.006 463 N HN 0.588 nan 8.380 nan 0.000 0.430 464 K N -0.005 120.414 120.400 0.033 0.000 2.758 464 K HA 0.371 4.294 4.320 -0.662 0.000 0.208 464 K C -0.117 176.491 176.600 0.014 0.000 1.091 464 K CA -0.067 56.247 56.287 0.044 0.000 1.059 464 K CB 1.273 33.814 32.500 0.067 0.000 0.801 464 K HN 0.108 nan 8.250 nan 0.000 0.470 465 A N 1.392 124.201 122.820 -0.020 0.000 2.826 465 A HA -0.296 3.627 4.320 -0.662 0.000 0.274 465 A C 1.137 178.720 177.584 -0.002 0.000 1.443 465 A CA 1.404 53.436 52.037 -0.008 0.000 0.833 465 A CB -1.766 17.120 19.000 -0.191 0.000 1.023 465 A HN 0.499 nan 8.150 nan 0.000 0.600 466 K N -2.196 118.159 120.400 -0.075 0.000 2.155 466 K HA 0.107 4.030 4.320 -0.662 0.000 0.203 466 K C 0.125 176.400 176.600 -0.541 0.000 1.052 466 K CA 1.382 57.518 56.287 -0.253 0.000 0.948 466 K CB 0.074 32.453 32.500 -0.202 0.000 0.728 466 K HN 0.715 nan 8.250 nan 0.000 0.448 467 Y N -0.897 119.315 120.300 -0.148 0.000 2.581 467 Y HA 0.321 4.474 4.550 -0.662 0.000 0.345 467 Y C -0.858 174.850 175.900 -0.320 0.000 1.036 467 Y CA -1.576 56.396 58.100 -0.215 0.000 1.042 467 Y CB 1.756 40.129 38.460 -0.145 0.000 1.289 467 Y HN -0.048 nan 8.280 nan 0.000 0.471 468 Y N -1.043 119.167 120.300 -0.150 0.000 2.519 468 Y HA 0.509 4.662 4.550 -0.662 0.000 0.336 468 Y C -1.235 174.646 175.900 -0.032 0.000 1.089 468 Y CA -1.458 56.390 58.100 -0.421 0.000 1.025 468 Y CB 1.391 38.947 38.460 -1.507 0.000 1.318 468 Y HN 0.607 nan 8.280 nan 0.000 0.452 469 Q N 3.517 123.428 119.800 0.185 0.000 2.243 469 Q HA 0.579 4.522 4.340 -0.662 0.000 0.252 469 Q C -1.748 174.316 176.000 0.106 0.000 0.909 469 Q CA -0.704 55.166 55.803 0.112 0.000 0.922 469 Q CB 1.297 30.072 28.738 0.062 0.000 1.215 469 Q HN 0.952 nan 8.270 nan 0.000 0.427 470 L N 4.230 125.518 121.223 0.107 0.000 2.307 470 L HA 0.537 4.480 4.340 -0.662 0.000 0.284 470 L C -0.649 176.200 176.870 -0.035 0.000 1.023 470 L CA -0.724 54.161 54.840 0.074 0.000 0.810 470 L CB 1.535 43.624 42.059 0.049 0.000 1.231 470 L HN 0.663 nan 8.230 nan 0.000 0.423 471 R N 2.494 122.908 120.500 -0.143 0.000 2.337 471 R HA 0.318 4.261 4.340 -0.662 0.000 0.319 471 R C -0.897 174.868 176.300 -0.893 0.000 0.954 471 R CA -0.380 55.295 56.100 -0.708 0.000 0.840 471 R CB 1.460 31.372 30.300 -0.648 0.000 1.164 471 R HN 0.541 nan 8.270 nan 0.000 0.472 472 c N 4.286 122.287 118.600 -0.999 0.000 2.347 472 c HA 0.439 4.612 4.570 -0.662 0.000 0.353 472 c C 0.475 174.058 174.090 -0.845 0.000 1.273 472 c CA -0.493 55.236 56.329 -0.999 0.000 1.861 472 c CB -0.759 41.255 42.510 -0.826 0.000 2.420 472 c HN 0.995 nan 8.230 nan 0.000 0.542 473 F N 4.104 123.914 119.950 -0.234 0.000 2.678 473 F HA 0.448 4.579 4.527 -0.660 0.000 0.305 473 F C 1.475 177.246 175.800 -0.048 0.000 1.090 473 F CA 0.668 58.612 58.000 -0.093 0.000 1.272 473 F CB 0.385 39.354 39.000 -0.052 0.000 1.060 473 F HN 1.012 nan 8.300 nan 0.000 0.576 474 G N 0.267 109.089 108.800 0.037 0.000 2.359 474 G HA2 0.056 3.619 3.960 -0.662 0.000 0.293 474 G HA3 0.056 3.619 3.960 -0.662 0.000 0.293 474 G C -2.539 172.373 174.900 0.019 0.000 1.300 474 G CA -0.665 44.473 45.100 0.064 0.000 0.888 474 G HN -0.295 nan 8.290 nan 0.000 0.541 475 P HA 0.119 nan 4.420 nan 0.000 0.230 475 P C 1.268 178.611 177.300 0.072 0.000 1.158 475 P CA 1.510 64.659 63.100 0.080 0.000 0.769 475 P CB 0.224 31.960 31.700 0.060 0.000 0.807 476 G N 0.339 109.116 108.800 -0.037 0.000 2.525 476 G HA2 0.400 3.963 3.960 -0.662 0.000 0.287 476 G HA3 0.400 3.963 3.960 -0.662 0.000 0.287 476 G C -0.249 174.444 174.900 -0.345 0.000 1.350 476 G CA -0.776 44.227 45.100 -0.161 0.000 1.039 476 G HN 0.041 nan 8.290 nan 0.000 0.513 477 L N 1.162 122.084 121.223 -0.501 0.000 2.485 477 L HA 0.129 4.072 4.340 -0.662 0.000 0.275 477 L C -1.850 174.872 176.870 -0.247 0.000 1.207 477 L CA -1.180 53.310 54.840 -0.583 0.000 0.855 477 L CB 0.518 42.328 42.059 -0.416 0.000 1.114 477 L HN 0.239 nan 8.230 nan 0.000 0.485 478 P HA 0.029 nan 4.420 nan 0.000 0.265 478 P C -0.934 176.340 177.300 -0.043 0.000 1.187 478 P CA 0.055 63.137 63.100 -0.029 0.000 0.766 478 P CB 0.571 32.411 31.700 0.233 0.000 0.820 479 L N 4.757 125.846 121.223 -0.225 0.000 2.438 479 L HA 0.498 4.441 4.340 -0.662 0.000 0.270 479 L C -1.856 174.850 176.870 -0.274 0.000 0.972 479 L CA -0.614 54.154 54.840 -0.120 0.000 0.831 479 L CB 1.053 43.035 42.059 -0.129 0.000 1.273 479 L HN 0.195 nan 8.230 nan 0.000 0.405 480 Y N 2.667 122.891 120.300 -0.127 0.000 2.352 480 Y HA 0.798 4.950 4.550 -0.662 0.000 0.339 480 Y C 0.506 176.289 175.900 -0.195 0.000 0.992 480 Y CA -0.443 57.565 58.100 -0.153 0.000 1.100 480 Y CB 2.173 40.544 38.460 -0.148 0.000 1.192 480 Y HN 0.705 nan 8.280 nan 0.000 0.458 481 T N 0.550 115.078 114.554 -0.043 0.000 2.896 481 T HA 0.694 4.647 4.350 -0.662 0.000 0.297 481 T C -1.687 172.929 174.700 -0.140 0.000 1.108 481 T CA -0.896 61.135 62.100 -0.115 0.000 1.004 481 T CB 1.883 70.735 68.868 -0.026 0.000 1.159 481 T HN 0.413 nan 8.240 nan 0.000 0.499 482 L N 1.707 122.743 121.223 -0.312 0.000 2.322 482 L HA 0.749 4.692 4.340 -0.662 0.000 0.281 482 L C -1.320 175.265 176.870 -0.475 0.000 1.014 482 L CA -0.178 54.514 54.840 -0.247 0.000 0.815 482 L CB 1.044 42.991 42.059 -0.187 0.000 1.247 482 L HN 0.908 nan 8.230 nan 0.000 0.421 483 H N 1.323 120.171 119.070 -0.370 0.000 2.797 483 H HA 0.665 4.824 4.556 -0.662 0.000 0.372 483 H C -0.929 174.147 175.328 -0.420 0.000 1.168 483 H CA -0.692 55.049 56.048 -0.511 0.000 1.163 483 H CB 1.970 31.139 29.762 -0.987 0.000 1.778 483 H HN 0.522 nan 8.280 nan 0.000 0.551 484 S N -0.050 115.562 115.700 -0.146 0.000 2.475 484 S HA 0.251 4.324 4.470 -0.662 0.000 0.298 484 S C 0.619 175.113 174.600 -0.177 0.000 1.119 484 S CA -0.580 57.508 58.200 -0.187 0.000 1.085 484 S CB 0.887 64.037 63.200 -0.085 0.000 1.028 484 S HN 0.642 nan 8.310 nan 0.000 0.489 485 S N 3.128 118.721 115.700 -0.179 0.000 2.402 485 S HA -0.112 3.961 4.470 -0.662 0.000 0.229 485 S C 2.281 176.860 174.600 -0.034 0.000 1.021 485 S CA 1.319 59.552 58.200 0.056 0.000 0.974 485 S CB -0.458 62.780 63.200 0.063 0.000 0.800 485 S HN 0.957 nan 8.310 nan 0.000 0.484 486 S N 2.365 117.992 115.700 -0.122 0.000 2.368 486 S HA -0.191 3.882 4.470 -0.662 0.000 0.226 486 S C 1.733 176.302 174.600 -0.051 0.000 1.044 486 S CA 1.896 60.043 58.200 -0.087 0.000 1.062 486 S CB -0.541 62.603 63.200 -0.095 0.000 0.931 486 S HN 0.633 nan 8.310 nan 0.000 0.440 487 S N -0.762 114.917 115.700 -0.036 0.000 2.733 487 S HA 0.279 4.352 4.470 -0.662 0.000 0.247 487 S C -0.250 174.353 174.600 0.006 0.000 1.043 487 S CA 0.274 58.465 58.200 -0.015 0.000 1.066 487 S CB 0.094 63.287 63.200 -0.011 0.000 1.045 487 S HN 0.340 nan 8.310 nan 0.000 0.586 488 D N 1.034 121.451 120.400 0.029 0.000 2.746 488 D HA -0.124 4.119 4.640 -0.662 0.000 0.236 488 D C -0.161 176.182 176.300 0.072 0.000 1.129 488 D CA 1.017 55.068 54.000 0.086 0.000 0.691 488 D CB -1.092 39.757 40.800 0.081 0.000 1.077 488 D HN 0.524 nan 8.370 nan 0.000 0.432 489 K N 0.971 121.385 120.400 0.023 0.000 2.270 489 K HA 0.147 4.070 4.320 -0.662 0.000 0.276 489 K C 1.208 177.779 176.600 -0.049 0.000 1.023 489 K CA -0.090 56.196 56.287 -0.003 0.000 0.955 489 K CB 0.949 33.438 32.500 -0.018 0.000 0.975 489 K HN -0.012 nan 8.250 nan 0.000 0.471 490 E N 3.860 124.007 120.200 -0.088 0.000 2.265 490 E HA -0.189 3.764 4.350 -0.662 0.000 0.196 490 E C 0.708 177.057 176.600 -0.418 0.000 0.996 490 E CA 1.454 57.670 56.400 -0.307 0.000 0.832 490 E CB -0.100 29.505 29.700 -0.158 0.000 0.756 490 E HN 0.698 nan 8.360 nan 0.000 0.491 491 L N -1.170 119.924 121.223 -0.215 0.000 3.415 491 L HA -0.418 3.525 4.340 -0.662 0.000 0.185 491 L C 0.623 177.404 176.870 -0.150 0.000 4.448 491 L CA 3.075 57.821 54.840 -0.156 0.000 0.483 491 L CB -1.142 40.829 42.059 -0.146 0.000 3.552 491 L HN 0.651 nan 8.230 nan 0.000 0.712 492 R N -2.790 117.577 120.500 -0.221 0.000 2.828 492 R HA 0.591 4.534 4.340 -0.662 0.000 0.280 492 R C -1.540 174.634 176.300 -0.211 0.000 1.020 492 R CA -0.689 55.308 56.100 -0.171 0.000 0.855 492 R CB 1.050 31.277 30.300 -0.122 0.000 1.278 492 R HN -0.144 nan 8.270 nan 0.000 0.495 493 V N 3.367 123.186 119.914 -0.159 0.000 2.406 493 V HA 0.219 3.942 4.120 -0.662 0.000 0.272 493 V C 1.282 177.254 176.094 -0.203 0.000 1.043 493 V CA -0.502 61.706 62.300 -0.152 0.000 0.915 493 V CB 1.155 32.924 31.823 -0.090 0.000 0.988 493 V HN 0.662 nan 8.190 nan 0.000 0.466 494 L N 2.529 123.564 121.223 -0.314 0.000 2.168 494 L HA 0.273 4.215 4.340 -0.662 0.000 0.203 494 L C 0.766 177.488 176.870 -0.246 0.000 1.078 494 L CA 0.798 55.293 54.840 -0.574 0.000 0.780 494 L CB 0.166 41.434 42.059 -1.319 0.000 0.939 494 L HN 0.648 nan 8.230 nan 0.000 0.451 495 E N 0.042 120.188 120.200 -0.089 0.000 2.307 495 E HA 0.079 4.032 4.350 -0.662 0.000 0.280 495 E C -0.973 175.673 176.600 0.076 0.000 0.900 495 E CA -0.328 56.090 56.400 0.030 0.000 0.790 495 E CB 1.131 30.847 29.700 0.027 0.000 1.261 495 E HN 0.182 nan 8.360 nan 0.000 0.405 496 D N 3.589 124.009 120.400 0.034 0.000 2.433 496 D HA 0.067 4.310 4.640 -0.662 0.000 0.211 496 D C -0.331 175.976 176.300 0.013 0.000 1.114 496 D CA -0.189 53.822 54.000 0.019 0.000 0.837 496 D CB -0.007 40.787 40.800 -0.009 0.000 0.984 496 D HN 0.483 nan 8.370 nan 0.000 0.505 497 N N 0.835 119.551 118.700 0.026 0.000 2.714 497 N HA -0.211 4.132 4.740 -0.662 0.000 0.250 497 N C 1.115 176.627 175.510 0.003 0.000 1.117 497 N CA 0.935 53.997 53.050 0.019 0.000 0.719 497 N CB -1.493 37.005 38.487 0.018 0.000 1.081 497 N HN 0.482 nan 8.380 nan 0.000 0.557 498 S N -1.145 114.557 115.700 0.003 0.000 2.419 498 S HA -0.079 3.994 4.470 -0.662 0.000 0.235 498 S C 2.070 176.680 174.600 0.018 0.000 1.019 498 S CA 1.058 59.259 58.200 0.002 0.000 0.982 498 S CB -0.121 63.080 63.200 0.002 0.000 0.789 498 S HN 0.512 nan 8.310 nan 0.000 0.490 499 A N 1.931 124.768 122.820 0.028 0.000 1.898 499 A HA 0.114 4.037 4.320 -0.662 0.000 0.216 499 A C 2.210 179.840 177.584 0.076 0.000 1.181 499 A CA 1.471 53.535 52.037 0.046 0.000 0.620 499 A CB -0.862 18.163 19.000 0.040 0.000 0.819 499 A HN 0.517 nan 8.150 nan 0.000 0.442 500 L N 0.547 121.818 121.223 0.080 0.000 2.046 500 L HA -0.158 3.785 4.340 -0.662 0.000 0.208 500 L C 1.866 178.784 176.870 0.080 0.000 1.077 500 L CA 2.820 57.734 54.840 0.124 0.000 0.747 500 L CB -0.935 41.191 42.059 0.112 0.000 0.896 500 L HN 0.519 nan 8.230 nan 0.000 0.432 501 D N -0.736 119.676 120.400 0.020 0.000 2.104 501 D HA -0.289 3.954 4.640 -0.662 0.000 0.194 501 D C 2.179 178.493 176.300 0.023 0.000 0.994 501 D CA 1.509 55.504 54.000 -0.009 0.000 0.830 501 D CB -0.016 40.766 40.800 -0.030 0.000 0.959 501 D HN 0.200 nan 8.370 nan 0.000 0.452 502 K N -0.105 120.321 120.400 0.043 0.000 2.057 502 K HA -0.084 3.839 4.320 -0.662 0.000 0.207 502 K C 2.098 178.751 176.600 0.089 0.000 1.049 502 K CA 1.370 57.690 56.287 0.054 0.000 0.931 502 K CB -0.315 32.217 32.500 0.052 0.000 0.714 502 K HN 0.254 nan 8.250 nan 0.000 0.440 503 M N -0.094 119.589 119.600 0.139 0.000 2.159 503 M HA -0.113 3.970 4.480 -0.662 0.000 0.263 503 M C 1.846 178.269 176.300 0.205 0.000 1.063 503 M CA 1.406 56.851 55.300 0.242 0.000 1.110 503 M CB -0.232 32.612 32.600 0.406 0.000 1.374 503 M HN 0.089 nan 8.290 nan 0.000 0.411 504 L N 0.238 121.506 121.223 0.075 0.000 2.465 504 L HA -0.161 3.782 4.340 -0.662 0.000 0.224 504 L C 2.558 179.421 176.870 -0.012 0.000 1.145 504 L CA 0.624 55.428 54.840 -0.060 0.000 0.834 504 L CB -0.695 41.307 42.059 -0.096 0.000 0.944 504 L HN 0.466 nan 8.230 nan 0.000 0.451 505 Q N -0.630 119.186 119.800 0.027 0.000 2.369 505 Q HA -0.217 3.726 4.340 -0.662 0.000 0.206 505 Q C 1.215 177.244 176.000 0.049 0.000 0.963 505 Q CA 1.502 57.322 55.803 0.029 0.000 0.894 505 Q CB -0.189 28.567 28.738 0.030 0.000 0.965 505 Q HN 0.255 nan 8.270 nan 0.000 0.475 506 D N 0.551 120.994 120.400 0.073 0.000 2.339 506 D HA 0.047 4.290 4.640 -0.662 0.000 0.217 506 D C -0.534 175.827 176.300 0.101 0.000 1.050 506 D CA -0.123 53.932 54.000 0.092 0.000 0.856 506 D CB 0.872 41.742 40.800 0.116 0.000 0.922 506 D HN 0.129 nan 8.370 nan 0.000 0.518 507 V N 0.838 120.795 119.914 0.073 0.000 2.581 507 V HA 0.316 4.038 4.120 -0.662 0.000 0.303 507 V C -0.573 175.565 176.094 0.072 0.000 1.041 507 V CA -0.689 61.655 62.300 0.074 0.000 0.907 507 V CB 1.819 33.640 31.823 -0.003 0.000 0.994 507 V HN -0.075 nan 8.190 nan 0.000 0.442 508 Q N 6.447 126.313 119.800 0.111 0.000 2.513 508 Q HA 0.257 4.200 4.340 -0.662 0.000 0.227 508 Q C -0.455 175.607 176.000 0.104 0.000 1.257 508 Q CA -0.079 55.808 55.803 0.140 0.000 0.915 508 Q CB 0.381 29.219 28.738 0.167 0.000 1.507 508 Q HN 0.595 nan 8.270 nan 0.000 0.543 509 M N 3.902 123.532 119.600 0.051 0.000 2.235 509 M HA 0.330 4.413 4.480 -0.662 0.000 0.351 509 M C -1.920 174.381 176.300 0.003 0.000 1.178 509 M CA -2.324 52.979 55.300 0.006 0.000 1.143 509 M CB 0.148 32.729 32.600 -0.031 0.000 1.530 509 M HN 0.292 nan 8.290 nan 0.000 0.461 510 P HA 0.266 nan 4.420 nan 0.000 0.276 510 P C -0.985 176.277 177.300 -0.064 0.000 1.261 510 P CA -0.408 62.667 63.100 -0.042 0.000 0.800 510 P CB 0.660 32.323 31.700 -0.062 0.000 1.066 511 S N -0.876 114.767 115.700 -0.095 0.000 2.503 511 S HA 0.511 4.584 4.470 -0.662 0.000 0.301 511 S C -0.470 174.064 174.600 -0.109 0.000 1.087 511 S CA -0.887 57.257 58.200 -0.092 0.000 1.042 511 S CB 1.743 64.876 63.200 -0.111 0.000 1.043 511 S HN 0.473 nan 8.310 nan 0.000 0.489 512 K N 1.523 121.881 120.400 -0.071 0.000 2.265 512 K HA 0.400 4.323 4.320 -0.662 0.000 0.267 512 K C -0.961 175.603 176.600 -0.059 0.000 0.994 512 K CA -0.477 55.772 56.287 -0.063 0.000 0.860 512 K CB 0.845 33.326 32.500 -0.033 0.000 1.099 512 K HN 0.752 nan 8.250 nan 0.000 0.448 513 K N 4.916 125.269 120.400 -0.078 0.000 2.324 513 K HA 0.356 4.278 4.320 -0.662 0.000 0.253 513 K C -1.448 175.101 176.600 -0.086 0.000 0.932 513 K CA -0.791 55.450 56.287 -0.077 0.000 0.799 513 K CB 1.036 33.468 32.500 -0.113 0.000 1.154 513 K HN 0.393 nan 8.250 nan 0.000 0.425 514 L N 2.537 123.728 121.223 -0.054 0.000 2.334 514 L HA 0.576 4.519 4.340 -0.662 0.000 0.272 514 L C -0.307 176.479 176.870 -0.140 0.000 1.020 514 L CA -0.028 54.788 54.840 -0.041 0.000 0.812 514 L CB 1.718 43.878 42.059 0.168 0.000 1.264 514 L HN 0.808 nan 8.230 nan 0.000 0.439 515 D N -0.364 119.807 120.400 -0.381 0.000 2.792 515 D HA 0.546 4.789 4.640 -0.662 0.000 0.335 515 D C -1.756 174.224 176.300 -0.533 0.000 1.353 515 D CA -0.160 53.558 54.000 -0.469 0.000 0.839 515 D CB 1.917 42.438 40.800 -0.464 0.000 1.396 515 D HN 0.137 nan 8.370 nan 0.000 0.479 516 V N 1.018 120.729 119.914 -0.338 0.000 2.914 516 V HA 0.694 4.416 4.120 -0.662 0.000 0.314 516 V C -0.203 176.002 176.094 0.185 0.000 1.084 516 V CA -0.730 61.441 62.300 -0.215 0.000 0.963 516 V CB 1.909 33.346 31.823 -0.644 0.000 1.025 516 V HN 0.524 nan 8.190 nan 0.000 0.432 517 I N 0.139 120.863 120.570 0.258 0.000 2.828 517 I HA 0.656 4.429 4.170 -0.662 0.000 0.302 517 I C -0.853 175.336 176.117 0.120 0.000 1.101 517 I CA -0.835 60.564 61.300 0.164 0.000 1.031 517 I CB 2.344 40.380 38.000 0.061 0.000 1.231 517 I HN 0.602 nan 8.210 nan 0.000 0.427 518 N N 4.493 123.210 118.700 0.029 0.000 2.422 518 N HA 0.570 4.913 4.740 -0.662 0.000 0.266 518 N C -1.594 173.904 175.510 -0.021 0.000 1.007 518 N CA -0.499 52.555 53.050 0.008 0.000 0.941 518 N CB 1.073 39.542 38.487 -0.029 0.000 1.115 518 N HN 0.619 nan 8.380 nan 0.000 0.492 519 L N 3.868 125.090 121.223 -0.001 0.000 2.333 519 L HA 0.341 4.284 4.340 -0.662 0.000 0.280 519 L C -0.287 176.228 176.870 -0.591 0.000 1.004 519 L CA -1.112 53.549 54.840 -0.298 0.000 0.820 519 L CB 1.161 43.022 42.059 -0.331 0.000 1.247 519 L HN 0.912 nan 8.230 nan 0.000 0.416 520 H N 1.034 120.158 119.070 0.091 0.000 2.484 520 H HA -0.215 3.944 4.556 -0.662 0.000 0.321 520 H C 0.931 176.283 175.328 0.041 0.000 1.065 520 H CA 0.597 56.675 56.048 0.049 0.000 1.118 520 H CB -1.972 27.807 29.762 0.028 0.000 1.511 520 H HN 1.002 nan 8.280 nan 0.000 0.403 521 G N -1.897 106.943 108.800 0.067 0.000 2.199 521 G HA2 -0.292 3.271 3.960 -0.662 0.000 0.254 521 G HA3 -0.292 3.271 3.960 -0.662 0.000 0.254 521 G C 0.376 175.274 174.900 -0.004 0.000 0.982 521 G CA 0.316 45.439 45.100 0.039 0.000 0.632 521 G HN 0.934 nan 8.290 nan 0.000 0.529 522 T N 1.345 115.883 114.554 -0.027 0.000 2.855 522 T HA 0.556 4.509 4.350 -0.662 0.000 0.281 522 T C 0.162 174.642 174.700 -0.366 0.000 1.007 522 T CA -0.245 61.714 62.100 -0.234 0.000 1.009 522 T CB 1.609 70.251 68.868 -0.378 0.000 0.983 522 T HN 0.618 nan 8.240 nan 0.000 0.455 523 K N 2.358 122.530 120.400 -0.381 0.000 2.297 523 K HA 0.549 4.472 4.320 -0.662 0.000 0.286 523 K C -1.272 175.096 176.600 -0.388 0.000 1.053 523 K CA -0.343 55.781 56.287 -0.271 0.000 0.940 523 K CB 0.398 32.783 32.500 -0.192 0.000 1.019 523 K HN 0.394 nan 8.250 nan 0.000 0.475 524 F N 1.670 121.665 119.950 0.075 0.000 2.563 524 F HA 0.402 4.533 4.527 -0.661 0.000 0.316 524 F C -0.607 175.308 175.800 0.191 0.000 1.076 524 F CA -0.964 57.137 58.000 0.168 0.000 0.921 524 F CB 1.329 40.464 39.000 0.224 0.000 1.209 524 F HN 0.495 nan 8.300 nan 0.000 0.462 525 W N 2.310 123.827 121.300 0.361 0.000 2.375 525 W HA 0.519 4.782 4.660 -0.662 0.000 0.336 525 W C -0.739 176.063 176.519 0.471 0.000 1.160 525 W CA -0.491 57.047 57.345 0.322 0.000 1.266 525 W CB 0.740 30.303 29.460 0.172 0.000 1.195 525 W HN 0.411 nan 8.180 nan 0.000 0.599 526 Y N -0.432 120.220 120.300 0.587 0.000 2.625 526 Y HA 0.658 4.811 4.550 -0.662 0.000 0.338 526 Y C -1.069 175.041 175.900 0.351 0.000 1.123 526 Y CA -1.807 56.616 58.100 0.538 0.000 1.046 526 Y CB 1.167 40.060 38.460 0.722 0.000 1.299 526 Y HN 0.562 nan 8.280 nan 0.000 0.464 527 Q N 2.269 122.293 119.800 0.372 0.000 2.421 527 Q HA 0.747 4.690 4.340 -0.662 0.000 0.280 527 Q C -1.809 174.292 176.000 0.168 0.000 1.085 527 Q CA -1.172 54.717 55.803 0.143 0.000 0.807 527 Q CB 3.362 32.172 28.738 0.120 0.000 1.405 527 Q HN 0.864 nan 8.270 nan 0.000 0.419 528 M N 2.365 121.996 119.600 0.052 0.000 2.393 528 M HA 0.456 4.539 4.480 -0.662 0.000 0.299 528 M C -1.375 174.880 176.300 -0.075 0.000 1.103 528 M CA -0.956 54.335 55.300 -0.014 0.000 0.910 528 M CB 2.259 34.835 32.600 -0.039 0.000 1.659 528 M HN 0.620 nan 8.290 nan 0.000 0.445 529 I N 5.132 125.654 120.570 -0.080 0.000 2.307 529 I HA 0.385 4.158 4.170 -0.662 0.000 0.289 529 I C -0.521 175.498 176.117 -0.163 0.000 1.021 529 I CA -0.380 60.856 61.300 -0.106 0.000 1.224 529 I CB 0.507 38.462 38.000 -0.075 0.000 1.376 529 I HN 0.622 nan 8.210 nan 0.000 0.470 530 L N 8.232 129.310 121.223 -0.241 0.000 2.307 530 L HA 0.459 4.402 4.340 -0.662 0.000 0.282 530 L C -2.189 174.567 176.870 -0.190 0.000 1.051 530 L CA -1.770 52.851 54.840 -0.365 0.000 0.804 530 L CB 1.033 42.661 42.059 -0.718 0.000 1.197 530 L HN 0.260 nan 8.230 nan 0.000 0.431 531 P HA 0.078 nan 4.420 nan 0.000 0.268 531 P C -2.451 174.920 177.300 0.118 0.000 1.208 531 P CA -0.789 62.343 63.100 0.052 0.000 0.777 531 P CB -0.105 31.671 31.700 0.126 0.000 0.875 532 P HA 0.038 nan 4.420 nan 0.000 0.270 532 P C -0.605 176.879 177.300 0.306 0.000 1.223 532 P CA 0.250 63.462 63.100 0.187 0.000 0.785 532 P CB -0.181 31.681 31.700 0.270 0.000 0.923 533 H N -2.216 116.903 119.070 0.083 0.000 2.626 533 H HA -0.216 3.943 4.556 -0.662 0.000 0.317 533 H C -0.249 175.152 175.328 0.120 0.000 1.140 533 H CA 0.035 56.133 56.048 0.084 0.000 1.134 533 H CB -2.569 27.229 29.762 0.060 0.000 1.486 533 H HN 0.280 nan 8.280 nan 0.000 0.417 534 F N 1.784 121.749 119.950 0.024 0.000 2.602 534 F HA 0.086 4.216 4.527 -0.662 0.000 0.385 534 F C 0.721 176.565 175.800 0.075 0.000 1.063 534 F CA -0.166 57.828 58.000 -0.010 0.000 1.233 534 F CB 0.418 39.292 39.000 -0.209 0.000 1.067 534 F HN 0.306 nan 8.300 nan 0.000 0.564 535 D N 5.528 125.754 120.400 -0.290 0.000 2.454 535 D HA 0.145 4.388 4.640 -0.662 0.000 0.225 535 D C 0.756 176.925 176.300 -0.219 0.000 1.081 535 D CA -0.407 53.500 54.000 -0.155 0.000 0.864 535 D CB 1.246 41.991 40.800 -0.093 0.000 1.040 535 D HN 0.439 nan 8.370 nan 0.000 0.517 536 K N 0.943 121.308 120.400 -0.058 0.000 2.281 536 K HA -0.122 3.801 4.320 -0.662 0.000 0.203 536 K C 1.762 178.421 176.600 0.099 0.000 1.046 536 K CA 1.238 57.585 56.287 0.099 0.000 0.938 536 K CB 0.066 32.672 32.500 0.177 0.000 0.737 536 K HN 0.413 nan 8.250 nan 0.000 0.458 537 S N -0.505 115.206 115.700 0.019 0.000 2.527 537 S HA -0.003 4.070 4.470 -0.662 0.000 0.222 537 S C 0.744 175.319 174.600 -0.041 0.000 0.985 537 S CA -0.177 58.026 58.200 0.004 0.000 0.921 537 S CB -0.030 63.163 63.200 -0.011 0.000 0.772 537 S HN 0.178 nan 8.310 nan 0.000 0.529 538 K N 1.464 121.804 120.400 -0.101 0.000 2.098 538 K HA 0.313 4.236 4.320 -0.662 0.000 0.261 538 K C -1.038 175.470 176.600 -0.153 0.000 0.987 538 K CA -0.596 55.552 56.287 -0.232 0.000 0.916 538 K CB 0.663 32.858 32.500 -0.508 0.000 1.039 538 K HN 0.008 nan 8.250 nan 0.000 0.455 539 K N 3.309 123.595 120.400 -0.189 0.000 2.347 539 K HA 0.181 4.104 4.320 -0.662 0.000 0.262 539 K C -1.352 175.173 176.600 -0.124 0.000 1.052 539 K CA -0.524 55.727 56.287 -0.061 0.000 0.946 539 K CB 0.641 33.102 32.500 -0.064 0.000 1.220 539 K HN 0.393 nan 8.250 nan 0.000 0.450 540 Y N 3.459 123.748 120.300 -0.017 0.000 2.299 540 Y HA 0.171 4.324 4.550 -0.662 0.000 0.326 540 Y C -1.769 174.051 175.900 -0.133 0.000 1.164 540 Y CA -2.286 55.784 58.100 -0.049 0.000 1.234 540 Y CB 0.270 38.770 38.460 0.066 0.000 1.219 540 Y HN 0.478 nan 8.280 nan 0.000 0.497 541 P HA 0.130 nan 4.420 nan 0.000 0.272 541 P C -0.925 176.198 177.300 -0.295 0.000 1.230 541 P CA -0.155 62.613 63.100 -0.552 0.000 0.788 541 P CB 1.349 32.267 31.700 -1.303 0.000 0.949 542 L N 2.338 123.424 121.223 -0.227 0.000 2.385 542 L HA 0.508 4.450 4.340 -0.662 0.000 0.273 542 L C -0.978 176.043 176.870 0.251 0.000 0.990 542 L CA -1.079 53.789 54.840 0.045 0.000 0.821 542 L CB 1.714 43.819 42.059 0.075 0.000 1.279 542 L HN 0.283 nan 8.230 nan 0.000 0.412 543 L N 5.625 127.016 121.223 0.280 0.000 2.333 543 L HA 0.494 4.437 4.340 -0.662 0.000 0.280 543 L C -0.956 176.131 176.870 0.362 0.000 1.004 543 L CA -0.762 54.312 54.840 0.391 0.000 0.820 543 L CB 1.824 44.077 42.059 0.323 0.000 1.247 543 L HN 0.497 nan 8.230 nan 0.000 0.416 544 I N 4.177 125.012 120.570 0.442 0.000 2.315 544 I HA 0.272 4.045 4.170 -0.662 0.000 0.291 544 I C 0.210 176.575 176.117 0.414 0.000 1.006 544 I CA -0.147 61.401 61.300 0.415 0.000 1.265 544 I CB 1.433 39.724 38.000 0.485 0.000 1.387 544 I HN 0.648 nan 8.210 nan 0.000 0.475 545 E N 6.049 126.456 120.200 0.345 0.000 2.134 545 E HA 0.490 4.443 4.350 -0.662 0.000 0.278 545 E C -1.512 175.161 176.600 0.121 0.000 0.959 545 E CA -0.418 56.100 56.400 0.196 0.000 0.783 545 E CB 1.920 31.797 29.700 0.294 0.000 1.095 545 E HN 0.424 nan 8.360 nan 0.000 0.399 546 V N 5.802 125.722 119.914 0.010 0.000 2.769 546 V HA 0.387 4.110 4.120 -0.662 0.000 0.312 546 V C -1.095 175.103 176.094 0.173 0.000 1.061 546 V CA -0.286 62.096 62.300 0.137 0.000 0.931 546 V CB 1.708 33.629 31.823 0.163 0.000 1.010 546 V HN 0.949 nan 8.190 nan 0.000 0.433 547 Y N 4.802 125.168 120.300 0.109 0.000 3.213 547 Y HA 0.476 4.630 4.550 -0.660 0.000 0.168 547 Y C 1.580 177.615 175.900 0.225 0.000 0.880 547 Y CA 0.259 58.447 58.100 0.146 0.000 1.806 547 Y CB 0.521 39.047 38.460 0.110 0.000 1.369 547 Y HN 0.930 nan 8.280 nan 0.000 0.377 548 A N 1.266 124.153 122.820 0.112 0.000 2.899 548 A HA -0.198 3.725 4.320 -0.662 0.000 0.257 548 A C 0.639 178.059 177.584 -0.274 0.000 1.335 548 A CA 0.926 52.950 52.037 -0.022 0.000 0.924 548 A CB -2.522 16.608 19.000 0.218 0.000 1.105 548 A HN 0.843 nan 8.150 nan 0.000 0.765 549 G N -0.484 107.934 108.800 -0.636 0.000 2.599 549 G HA2 0.510 4.073 3.960 -0.662 0.000 0.264 549 G HA3 0.510 4.073 3.960 -0.662 0.000 0.264 549 G C -1.990 172.470 174.900 -0.734 0.000 1.200 549 G CA -0.734 43.642 45.100 -1.207 0.000 0.896 549 G HN 0.368 nan 8.290 nan 0.000 0.536 550 P HA 0.019 nan 4.420 nan 0.000 0.262 550 P C 0.660 177.743 177.300 -0.361 0.000 1.199 550 P CA 0.242 63.004 63.100 -0.564 0.000 0.763 550 P CB 0.693 31.677 31.700 -1.193 0.000 0.790 551 C N 2.331 121.482 119.300 -0.248 0.000 4.497 551 C HA -0.159 3.904 4.460 -0.662 0.000 0.268 551 C C 1.141 176.037 174.990 -0.156 0.000 1.343 551 C CA 1.185 60.026 59.018 -0.294 0.000 1.742 551 C CB -2.589 24.819 27.740 -0.555 0.000 1.450 551 C HN 0.816 nan 8.230 nan 0.000 0.733 552 S N 0.143 115.683 115.700 -0.267 0.000 2.593 552 S HA 0.462 4.535 4.470 -0.662 0.000 0.269 552 S C -0.511 174.009 174.600 -0.133 0.000 1.334 552 S CA 0.411 58.345 58.200 -0.443 0.000 1.015 552 S CB 1.429 63.734 63.200 -1.493 0.000 0.912 552 S HN 0.818 nan 8.310 nan 0.000 0.541 553 Q N 0.205 120.039 119.800 0.056 0.000 2.444 553 Q HA 0.331 4.274 4.340 -0.662 0.000 0.251 553 Q C -0.375 175.741 176.000 0.192 0.000 0.939 553 Q CA -0.666 55.247 55.803 0.184 0.000 0.740 553 Q CB 0.871 29.822 28.738 0.355 0.000 1.308 553 Q HN 0.619 nan 8.270 nan 0.000 0.461 554 K N 1.406 121.899 120.400 0.156 0.000 2.323 554 K HA 0.188 4.111 4.320 -0.662 0.000 0.197 554 K C -0.045 176.657 176.600 0.170 0.000 1.043 554 K CA 0.401 56.810 56.287 0.203 0.000 0.997 554 K CB 0.829 33.460 32.500 0.218 0.000 0.807 554 K HN 0.393 nan 8.250 nan 0.000 0.497 555 V N 3.885 123.896 119.914 0.161 0.000 2.348 555 V HA 0.158 3.881 4.120 -0.662 0.000 0.270 555 V C -0.472 175.681 176.094 0.098 0.000 1.037 555 V CA -0.724 61.670 62.300 0.157 0.000 0.872 555 V CB 0.989 32.951 31.823 0.231 0.000 1.002 555 V HN 0.299 nan 8.190 nan 0.000 0.464 556 D N 2.099 122.538 120.400 0.065 0.000 2.677 556 D HA 0.313 4.556 4.640 -0.662 0.000 0.298 556 D C 0.340 176.651 176.300 0.020 0.000 1.250 556 D CA -0.159 53.869 54.000 0.047 0.000 0.888 556 D CB 1.475 42.297 40.800 0.035 0.000 1.397 556 D HN 0.353 nan 8.370 nan 0.000 0.461 557 T N -2.047 112.544 114.554 0.061 0.000 3.273 557 T HA 0.354 4.307 4.350 -0.662 0.000 0.254 557 T C 0.308 175.005 174.700 -0.006 0.000 1.002 557 T CA -0.440 61.693 62.100 0.054 0.000 0.913 557 T CB -0.757 68.177 68.868 0.111 0.000 1.056 557 T HN 0.273 nan 8.240 nan 0.000 0.576 558 V N 2.456 122.270 119.914 -0.166 0.000 2.583 558 V HA 0.367 4.090 4.120 -0.662 0.000 0.287 558 V C 0.060 176.141 176.094 -0.022 0.000 1.051 558 V CA -1.046 61.139 62.300 -0.192 0.000 1.010 558 V CB 0.395 31.970 31.823 -0.414 0.000 0.988 558 V HN 0.606 nan 8.190 nan 0.000 0.478 559 F N 6.410 126.328 119.950 -0.053 0.000 2.420 559 F HA 0.581 4.712 4.527 -0.661 0.000 0.352 559 F C 0.423 176.218 175.800 -0.008 0.000 1.108 559 F CA -0.219 57.766 58.000 -0.025 0.000 1.162 559 F CB 0.259 39.258 39.000 -0.002 0.000 1.118 559 F HN 0.424 nan 8.300 nan 0.000 0.510 560 R N 5.873 125.867 120.500 -0.844 0.000 2.673 560 R HA 0.491 4.434 4.340 -0.662 0.000 0.281 560 R C -1.930 173.926 176.300 -0.740 0.000 0.991 560 R CA -1.262 54.478 56.100 -0.601 0.000 0.896 560 R CB 1.906 32.055 30.300 -0.252 0.000 1.201 560 R HN 0.458 nan 8.270 nan 0.000 0.457 561 L N 2.725 123.694 121.223 -0.423 0.000 2.297 561 L HA 0.339 4.282 4.340 -0.662 0.000 0.277 561 L C -0.039 176.847 176.870 0.026 0.000 1.040 561 L CA 0.114 54.790 54.840 -0.274 0.000 0.867 561 L CB 0.591 42.647 42.059 -0.006 0.000 1.244 561 L HN 0.794 nan 8.230 nan 0.000 0.433 562 S N 1.397 117.045 115.700 -0.088 0.000 2.806 562 S HA 0.331 4.404 4.470 -0.662 0.000 0.315 562 S C 0.603 174.930 174.600 -0.455 0.000 1.127 562 S CA -0.674 57.428 58.200 -0.164 0.000 0.918 562 S CB 0.722 63.889 63.200 -0.056 0.000 1.240 562 S HN 0.504 nan 8.310 nan 0.000 0.552 563 W N 1.304 122.009 121.300 -0.992 0.000 2.363 563 W HA 0.030 4.297 4.660 -0.656 0.000 0.296 563 W C 2.369 178.818 176.519 -0.117 0.000 1.212 563 W CA 2.050 58.975 57.345 -0.700 0.000 1.260 563 W CB -1.059 28.125 29.460 -0.460 0.000 1.131 563 W HN 0.826 nan 8.180 nan 0.000 0.530 564 A N -0.366 122.411 122.820 -0.073 0.000 1.933 564 A HA -0.202 3.721 4.320 -0.662 0.000 0.218 564 A C 1.950 179.446 177.584 -0.147 0.000 1.175 564 A CA 2.466 54.405 52.037 -0.164 0.000 0.628 564 A CB -1.304 17.696 19.000 -0.000 0.000 0.814 564 A HN 0.300 nan 8.150 nan 0.000 0.444 565 T N -1.118 113.380 114.554 -0.093 0.000 2.684 565 T HA -0.222 3.731 4.350 -0.662 0.000 0.267 565 T C 1.808 176.570 174.700 0.103 0.000 1.036 565 T CA 1.818 63.864 62.100 -0.089 0.000 1.148 565 T CB -0.486 68.194 68.868 -0.314 0.000 0.863 565 T HN 0.695 nan 8.240 nan 0.000 0.436 566 Y N 2.068 122.480 120.300 0.187 0.000 2.163 566 Y HA -0.017 4.136 4.550 -0.662 0.000 0.288 566 Y C 1.956 177.864 175.900 0.013 0.000 1.136 566 Y CA 0.857 59.083 58.100 0.211 0.000 1.147 566 Y CB -0.820 37.745 38.460 0.174 0.000 0.987 566 Y HN 0.128 nan 8.280 nan 0.000 0.509 567 L N 0.221 120.972 121.223 -0.785 0.000 2.042 567 L HA -0.239 3.704 4.340 -0.662 0.000 0.210 567 L C 2.809 179.445 176.870 -0.391 0.000 1.076 567 L CA 1.429 55.779 54.840 -0.817 0.000 0.749 567 L CB -1.018 40.619 42.059 -0.703 0.000 0.893 567 L HN 0.420 nan 8.230 nan 0.000 0.432 568 A N -1.233 121.449 122.820 -0.230 0.000 1.874 568 A HA -0.172 3.751 4.320 -0.662 0.000 0.214 568 A C 2.514 180.077 177.584 -0.035 0.000 1.189 568 A CA 1.649 53.625 52.037 -0.102 0.000 0.615 568 A CB -0.657 18.289 19.000 -0.089 0.000 0.830 568 A HN 0.319 nan 8.150 nan 0.000 0.443 569 S N -1.079 114.619 115.700 -0.003 0.000 2.356 569 S HA -0.133 3.940 4.470 -0.662 0.000 0.223 569 S C 1.980 176.632 174.600 0.086 0.000 1.032 569 S CA 2.381 60.630 58.200 0.081 0.000 1.005 569 S CB -0.383 62.923 63.200 0.176 0.000 0.867 569 S HN 0.589 nan 8.310 nan 0.000 0.449 570 T N 1.056 115.643 114.554 0.056 0.000 3.021 570 T HA 0.185 4.138 4.350 -0.662 0.000 0.245 570 T C 1.295 176.002 174.700 0.012 0.000 1.028 570 T CA 0.461 62.610 62.100 0.083 0.000 1.139 570 T CB -0.046 68.969 68.868 0.244 0.000 0.884 570 T HN 0.328 nan 8.240 nan 0.000 0.457 571 E N 1.293 121.418 120.200 -0.125 0.000 2.474 571 E HA 0.178 4.131 4.350 -0.662 0.000 0.195 571 E C -0.134 176.462 176.600 -0.007 0.000 1.039 571 E CA -0.110 56.245 56.400 -0.075 0.000 0.881 571 E CB -0.279 29.322 29.700 -0.166 0.000 0.970 571 E HN 0.501 nan 8.360 nan 0.000 0.486 572 N N 0.756 119.473 118.700 0.028 0.000 2.725 572 N HA -0.188 4.155 4.740 -0.662 0.000 0.251 572 N C -0.944 174.680 175.510 0.190 0.000 1.031 572 N CA 0.286 53.430 53.050 0.156 0.000 0.720 572 N CB -1.095 37.493 38.487 0.168 0.000 0.930 572 N HN 0.218 nan 8.380 nan 0.000 0.543 573 I N 0.908 121.517 120.570 0.063 0.000 2.404 573 I HA 0.366 4.139 4.170 -0.662 0.000 0.293 573 I C 0.495 176.622 176.117 0.017 0.000 0.992 573 I CA -0.836 60.489 61.300 0.042 0.000 1.149 573 I CB 1.373 39.389 38.000 0.027 0.000 1.315 573 I HN 0.033 nan 8.210 nan 0.000 0.446 574 I N 6.485 127.079 120.570 0.039 0.000 2.441 574 I HA 0.207 3.980 4.170 -0.662 0.000 0.287 574 I C -0.371 175.756 176.117 0.018 0.000 1.049 574 I CA -0.434 60.863 61.300 -0.006 0.000 1.381 574 I CB 1.188 39.202 38.000 0.024 0.000 1.409 574 I HN 0.193 nan 8.210 nan 0.000 0.523 575 V N 6.188 126.100 119.914 -0.004 0.000 2.448 575 V HA 0.709 4.432 4.120 -0.662 0.000 0.295 575 V C 0.164 176.290 176.094 0.054 0.000 1.025 575 V CA -0.442 61.891 62.300 0.056 0.000 0.859 575 V CB 1.376 33.226 31.823 0.045 0.000 0.988 575 V HN 0.860 nan 8.190 nan 0.000 0.431 576 A N 3.742 126.618 122.820 0.093 0.000 2.384 576 A HA 0.961 4.884 4.320 -0.662 0.000 0.312 576 A C -0.383 177.323 177.584 0.204 0.000 1.113 576 A CA -0.543 51.531 52.037 0.062 0.000 0.779 576 A CB 2.043 20.921 19.000 -0.203 0.000 1.307 576 A HN 0.682 nan 8.150 nan 0.000 0.436 577 S N -0.369 115.492 115.700 0.268 0.000 2.569 577 S HA 0.785 4.858 4.470 -0.662 0.000 0.280 577 S C -1.610 173.313 174.600 0.538 0.000 1.111 577 S CA -0.295 58.121 58.200 0.359 0.000 0.887 577 S CB 1.386 64.751 63.200 0.274 0.000 1.095 577 S HN 0.886 nan 8.310 nan 0.000 0.476 578 F N 1.820 121.976 119.950 0.344 0.000 2.574 578 F HA 0.497 4.627 4.527 -0.663 0.000 0.313 578 F C -1.662 174.290 175.800 0.253 0.000 1.130 578 F CA -0.782 57.440 58.000 0.370 0.000 0.936 578 F CB 1.484 40.707 39.000 0.372 0.000 1.219 578 F HN 0.378 nan 8.300 nan 0.000 0.445 579 D N 4.312 124.388 120.400 -0.540 0.000 2.392 579 D HA 0.462 4.705 4.640 -0.662 0.000 0.228 579 D C 0.249 175.953 176.300 -0.994 0.000 1.074 579 D CA 0.127 53.840 54.000 -0.478 0.000 0.838 579 D CB 1.689 42.439 40.800 -0.083 0.000 1.067 579 D HN 0.796 nan 8.370 nan 0.000 0.511 580 G N 1.502 109.788 108.800 -0.857 0.000 3.039 580 G HA2 0.317 3.880 3.960 -0.662 0.000 0.159 580 G HA3 0.317 3.880 3.960 -0.662 0.000 0.159 580 G C -0.029 174.586 174.900 -0.475 0.000 1.284 580 G CA -0.703 43.804 45.100 -0.988 0.000 0.996 580 G HN 0.295 nan 8.290 nan 0.000 0.592 581 R N -0.436 119.883 120.500 -0.302 0.000 2.570 581 R HA 0.374 4.317 4.340 -0.662 0.000 0.277 581 R C 1.192 177.529 176.300 0.061 0.000 1.039 581 R CA 1.428 57.555 56.100 0.045 0.000 1.065 581 R CB 0.496 30.889 30.300 0.154 0.000 0.964 581 R HN 1.084 nan 8.270 nan 0.000 0.428 582 G N 1.160 110.008 108.800 0.081 0.000 2.234 582 G HA2 -0.331 3.232 3.960 -0.662 0.000 0.235 582 G HA3 -0.331 3.232 3.960 -0.662 0.000 0.235 582 G C 0.180 175.049 174.900 -0.052 0.000 0.997 582 G CA 0.168 45.291 45.100 0.037 0.000 0.623 582 G HN 0.728 nan 8.290 nan 0.000 0.514 583 S N 0.338 116.004 115.700 -0.057 0.000 2.600 583 S HA 0.651 4.724 4.470 -0.662 0.000 0.265 583 S C 0.846 175.387 174.600 -0.099 0.000 1.325 583 S CA 0.544 58.687 58.200 -0.095 0.000 1.002 583 S CB 1.761 64.923 63.200 -0.064 0.000 0.921 583 S HN 1.689 nan 8.310 nan 0.000 0.554 584 G N -0.894 107.808 108.800 -0.162 0.000 2.601 584 G HA2 0.511 4.074 3.960 -0.662 0.000 0.317 584 G HA3 0.511 4.074 3.960 -0.662 0.000 0.317 584 G C -0.997 173.755 174.900 -0.246 0.000 1.246 584 G CA -1.046 43.821 45.100 -0.388 0.000 1.012 584 G HN 0.948 nan 8.290 nan 0.000 0.494 585 Y N -2.374 117.931 120.300 0.007 0.000 4.668 585 Y HA -0.210 3.943 4.550 -0.662 0.000 0.234 585 Y C 1.336 177.271 175.900 0.058 0.000 1.056 585 Y CA 1.049 59.169 58.100 0.034 0.000 2.025 585 Y CB -2.145 36.350 38.460 0.059 0.000 1.613 585 Y HN 0.532 nan 8.280 nan 0.000 0.653 586 Q N -0.009 119.836 119.800 0.074 0.000 2.084 586 Q HA 0.513 4.456 4.340 -0.662 0.000 0.230 586 Q C 0.846 176.779 176.000 -0.112 0.000 0.806 586 Q CA 0.205 56.077 55.803 0.115 0.000 1.083 586 Q CB 1.567 30.387 28.738 0.136 0.000 1.208 586 Q HN 0.579 nan 8.270 nan 0.000 0.462 587 G N 0.683 109.286 108.800 -0.328 0.000 2.675 587 G HA2 -0.180 3.383 3.960 -0.662 0.000 0.686 587 G HA3 -0.180 3.383 3.960 -0.662 0.000 0.686 587 G C -0.443 174.117 174.900 -0.566 0.000 1.215 587 G CA -0.610 44.036 45.100 -0.756 0.000 0.777 587 G HN 0.134 nan 8.290 nan 0.000 0.638 588 D N 0.315 120.330 120.400 -0.642 0.000 2.219 588 D HA -0.041 4.202 4.640 -0.662 0.000 0.205 588 D C 2.384 178.362 176.300 -0.537 0.000 0.970 588 D CA 1.297 54.833 54.000 -0.774 0.000 0.851 588 D CB 0.049 40.327 40.800 -0.870 0.000 0.943 588 D HN 0.609 nan 8.370 nan 0.000 0.488 589 K N 0.151 120.331 120.400 -0.367 0.000 2.057 589 K HA -0.057 3.866 4.320 -0.662 0.000 0.207 589 K C 2.188 178.726 176.600 -0.103 0.000 1.049 589 K CA 0.716 56.888 56.287 -0.192 0.000 0.931 589 K CB 0.051 32.456 32.500 -0.159 0.000 0.714 589 K HN 0.174 nan 8.250 nan 0.000 0.440 590 I N 0.556 121.061 120.570 -0.108 0.000 2.277 590 I HA -0.224 3.549 4.170 -0.662 0.000 0.243 590 I C 2.590 178.713 176.117 0.010 0.000 1.094 590 I CA 0.888 62.208 61.300 0.034 0.000 1.393 590 I CB -0.041 38.015 38.000 0.093 0.000 1.078 590 I HN 0.202 nan 8.210 nan 0.000 0.417 591 M N 0.066 119.591 119.600 -0.126 0.000 2.132 591 M HA -0.228 3.855 4.480 -0.662 0.000 0.263 591 M C 1.959 178.292 176.300 0.054 0.000 1.065 591 M CA 1.979 57.223 55.300 -0.094 0.000 1.122 591 M CB -0.313 32.128 32.600 -0.266 0.000 1.365 591 M HN 0.263 nan 8.290 nan 0.000 0.411 592 H N -0.612 118.341 119.070 -0.196 0.000 2.556 592 H HA 0.148 4.307 4.556 -0.662 0.000 0.268 592 H C 1.892 177.241 175.328 0.034 0.000 0.996 592 H CA 0.100 56.041 56.048 -0.177 0.000 1.157 592 H CB 0.100 29.664 29.762 -0.330 0.000 1.355 592 H HN 0.537 nan 8.280 nan 0.000 0.597 593 A N 1.660 124.594 122.820 0.189 0.000 1.978 593 A HA -0.159 3.764 4.320 -0.662 0.000 0.220 593 A C 2.101 179.887 177.584 0.337 0.000 1.170 593 A CA 1.317 53.506 52.037 0.253 0.000 0.636 593 A CB -0.684 18.458 19.000 0.238 0.000 0.810 593 A HN 0.602 nan 8.150 nan 0.000 0.448 594 I N -3.179 117.543 120.570 0.254 0.000 3.861 594 I HA 0.158 3.931 4.170 -0.662 0.000 0.329 594 I C 0.384 176.552 176.117 0.085 0.000 1.321 594 I CA -0.442 60.937 61.300 0.131 0.000 1.126 594 I CB -0.625 37.425 38.000 0.084 0.000 1.018 594 I HN 0.220 nan 8.210 nan 0.000 0.407 595 N N 2.958 121.767 118.700 0.182 0.000 2.357 595 N HA -0.069 4.274 4.740 -0.662 0.000 0.257 595 N C 0.153 175.655 175.510 -0.013 0.000 1.250 595 N CA 0.249 53.401 53.050 0.169 0.000 0.862 595 N CB 0.327 38.903 38.487 0.148 0.000 1.066 595 N HN 0.397 nan 8.380 nan 0.000 0.468 596 R N 0.344 120.807 120.500 -0.063 0.000 4.000 596 R HA -0.205 3.738 4.340 -0.662 0.000 0.348 596 R C -0.221 175.955 176.300 -0.206 0.000 1.204 596 R CA 1.506 57.510 56.100 -0.160 0.000 0.987 596 R CB -1.516 28.674 30.300 -0.184 0.000 1.446 596 R HN 0.772 nan 8.270 nan 0.000 0.555 597 R N -0.087 120.328 120.500 -0.140 0.000 2.583 597 R HA 0.269 4.212 4.340 -0.662 0.000 0.282 597 R C -0.424 175.848 176.300 -0.048 0.000 1.288 597 R CA -0.681 55.389 56.100 -0.049 0.000 1.415 597 R CB 0.248 30.461 30.300 -0.144 0.000 1.331 597 R HN -0.029 nan 8.270 nan 0.000 0.719 598 L N 0.918 122.092 121.223 -0.082 0.000 2.483 598 L HA 0.214 4.157 4.340 -0.662 0.000 0.276 598 L C 1.237 178.266 176.870 0.265 0.000 1.213 598 L CA 1.506 56.365 54.840 0.031 0.000 0.843 598 L CB 0.530 42.435 42.059 -0.256 0.000 1.107 598 L HN 0.850 nan 8.230 nan 0.000 0.487 599 G N 0.799 109.840 108.800 0.401 0.000 2.157 599 G HA2 -0.304 3.259 3.960 -0.662 0.000 0.248 599 G HA3 -0.304 3.259 3.960 -0.662 0.000 0.248 599 G C 0.535 175.499 174.900 0.106 0.000 0.979 599 G CA 0.608 45.895 45.100 0.311 0.000 0.650 599 G HN 0.800 nan 8.290 nan 0.000 0.529 600 T N -2.867 111.717 114.554 0.051 0.000 3.556 600 T HA 0.450 4.403 4.350 -0.662 0.000 0.204 600 T C 1.749 176.503 174.700 0.090 0.000 0.896 600 T CA 1.075 63.151 62.100 -0.041 0.000 1.380 600 T CB -0.184 68.496 68.868 -0.314 0.000 1.584 600 T HN 0.129 nan 8.240 nan 0.000 0.411 601 F N 3.473 123.481 119.950 0.096 0.000 2.171 601 F HA 0.100 4.231 4.527 -0.661 0.000 0.300 601 F C 2.786 178.637 175.800 0.086 0.000 1.090 601 F CA 0.880 58.926 58.000 0.077 0.000 1.293 601 F CB -0.841 38.193 39.000 0.056 0.000 1.013 601 F HN 0.492 nan 8.300 nan 0.000 0.486 602 E N 0.832 121.195 120.200 0.270 0.000 2.106 602 E HA -0.116 3.837 4.350 -0.662 0.000 0.192 602 E C 2.138 178.854 176.600 0.194 0.000 0.984 602 E CA 1.389 57.911 56.400 0.203 0.000 0.806 602 E CB -1.109 28.706 29.700 0.192 0.000 0.750 602 E HN 0.283 nan 8.360 nan 0.000 0.458 603 V N 1.845 121.860 119.914 0.169 0.000 2.270 603 V HA -0.227 3.496 4.120 -0.662 0.000 0.245 603 V C 2.384 178.544 176.094 0.109 0.000 1.043 603 V CA 2.230 64.589 62.300 0.098 0.000 1.014 603 V CB -0.625 31.210 31.823 0.020 0.000 0.645 603 V HN 0.226 nan 8.190 nan 0.000 0.447 604 E N 0.080 120.366 120.200 0.142 0.000 2.085 604 E HA -0.248 3.705 4.350 -0.662 0.000 0.194 604 E C 1.923 178.600 176.600 0.129 0.000 0.994 604 E CA 1.540 58.025 56.400 0.141 0.000 0.801 604 E CB -0.210 29.607 29.700 0.196 0.000 0.743 604 E HN 0.578 nan 8.360 nan 0.000 0.453 605 D N 0.272 120.772 120.400 0.167 0.000 2.178 605 D HA -0.126 4.117 4.640 -0.662 0.000 0.202 605 D C 1.968 178.337 176.300 0.115 0.000 0.974 605 D CA 0.724 54.817 54.000 0.155 0.000 0.841 605 D CB -0.078 40.852 40.800 0.216 0.000 0.953 605 D HN 0.104 nan 8.370 nan 0.000 0.478 606 Q N 0.133 120.043 119.800 0.183 0.000 2.079 606 Q HA -0.029 3.914 4.340 -0.662 0.000 0.200 606 Q C 2.554 178.626 176.000 0.120 0.000 0.974 606 Q CA 0.519 56.438 55.803 0.194 0.000 0.840 606 Q CB -0.110 28.753 28.738 0.209 0.000 0.898 606 Q HN 0.419 nan 8.270 nan 0.000 0.430 607 I N 0.636 121.284 120.570 0.131 0.000 2.179 607 I HA -0.260 3.513 4.170 -0.662 0.000 0.242 607 I C 2.500 178.601 176.117 -0.027 0.000 1.088 607 I CA 1.196 62.596 61.300 0.167 0.000 1.357 607 I CB -0.255 37.836 38.000 0.152 0.000 1.051 607 I HN 0.260 nan 8.210 nan 0.000 0.409 608 E N 1.116 121.261 120.200 -0.092 0.000 2.077 608 E HA -0.247 3.706 4.350 -0.662 0.000 0.193 608 E C 2.263 178.615 176.600 -0.412 0.000 0.989 608 E CA 1.337 57.621 56.400 -0.193 0.000 0.800 608 E CB -0.026 29.595 29.700 -0.133 0.000 0.746 608 E HN 0.487 nan 8.360 nan 0.000 0.452 609 A N 0.108 122.549 122.820 -0.632 0.000 1.902 609 A HA -0.158 3.765 4.320 -0.662 0.000 0.217 609 A C 2.374 179.206 177.584 -1.254 0.000 1.181 609 A CA 1.964 53.292 52.037 -1.182 0.000 0.623 609 A CB -0.881 17.015 19.000 -1.839 0.000 0.818 609 A HN 0.311 nan 8.150 nan 0.000 0.443 610 T N -0.815 113.369 114.554 -0.617 0.000 2.821 610 T HA -0.133 3.820 4.350 -0.662 0.000 0.267 610 T C 2.043 176.546 174.700 -0.329 0.000 1.046 610 T CA 1.440 63.363 62.100 -0.294 0.000 1.139 610 T CB -0.231 68.632 68.868 -0.008 0.000 0.871 610 T HN 0.568 nan 8.240 nan 0.000 0.454 611 R N 0.943 121.247 120.500 -0.326 0.000 2.083 611 R HA -0.143 3.800 4.340 -0.662 0.000 0.237 611 R C 2.513 178.648 176.300 -0.274 0.000 1.137 611 R CA 1.622 57.567 56.100 -0.258 0.000 0.951 611 R CB -0.171 30.008 30.300 -0.203 0.000 0.851 611 R HN 0.488 nan 8.270 nan 0.000 0.434 612 Q N -0.658 118.906 119.800 -0.393 0.000 2.061 612 Q HA -0.183 3.759 4.340 -0.662 0.000 0.204 612 Q C 2.040 177.884 176.000 -0.260 0.000 0.984 612 Q CA 1.729 57.319 55.803 -0.355 0.000 0.846 612 Q CB -0.190 28.271 28.738 -0.462 0.000 0.902 612 Q HN 0.326 nan 8.270 nan 0.000 0.421 613 F N 1.051 120.842 119.950 -0.264 0.000 2.161 613 F HA -0.200 3.929 4.527 -0.663 0.000 0.300 613 F C 2.781 178.447 175.800 -0.225 0.000 1.089 613 F CA 1.331 59.181 58.000 -0.251 0.000 1.282 613 F CB -1.340 37.531 39.000 -0.216 0.000 1.010 613 F HN 0.095 nan 8.300 nan 0.000 0.485 614 S N 0.009 115.690 115.700 -0.031 0.000 2.440 614 S HA -0.179 3.894 4.470 -0.662 0.000 0.238 614 S C 1.818 176.344 174.600 -0.123 0.000 1.010 614 S CA 0.868 59.014 58.200 -0.090 0.000 0.972 614 S CB -0.434 62.688 63.200 -0.130 0.000 0.774 614 S HN 0.299 nan 8.310 nan 0.000 0.501 615 K N 0.806 121.128 120.400 -0.131 0.000 2.296 615 K HA 0.209 4.131 4.320 -0.662 0.000 0.200 615 K C 0.741 177.235 176.600 -0.177 0.000 1.048 615 K CA 0.203 56.410 56.287 -0.133 0.000 0.966 615 K CB -0.527 31.904 32.500 -0.116 0.000 0.754 615 K HN 0.529 nan 8.250 nan 0.000 0.466 616 M N 0.684 120.128 119.600 -0.261 0.000 2.260 616 M HA -0.026 4.057 4.480 -0.662 0.000 0.348 616 M C 1.584 177.592 176.300 -0.487 0.000 1.342 616 M CA 0.232 55.240 55.300 -0.486 0.000 1.040 616 M CB 0.569 32.623 32.600 -0.910 0.000 1.810 616 M HN 0.167 nan 8.290 nan 0.000 0.453 617 G N 3.077 111.677 108.800 -0.333 0.000 2.479 617 G HA2 -0.196 3.367 3.960 -0.662 0.000 0.220 617 G HA3 -0.196 3.367 3.960 -0.662 0.000 0.220 617 G C 0.777 175.637 174.900 -0.066 0.000 1.115 617 G CA 0.554 45.569 45.100 -0.141 0.000 0.757 617 G HN 0.837 nan 8.290 nan 0.000 0.560 618 F N -0.079 119.951 119.950 0.134 0.000 2.692 618 F HA 0.609 4.738 4.527 -0.662 0.000 0.303 618 F C -0.096 175.847 175.800 0.240 0.000 1.114 618 F CA -1.544 56.581 58.000 0.210 0.000 1.361 618 F CB -0.368 38.853 39.000 0.368 0.000 1.063 618 F HN -0.172 nan 8.300 nan 0.000 0.550 619 V N 1.482 121.396 119.914 0.001 0.000 2.459 619 V HA 0.209 3.932 4.120 -0.662 0.000 0.295 619 V C -0.724 175.368 176.094 -0.003 0.000 1.029 619 V CA -0.836 61.498 62.300 0.057 0.000 0.874 619 V CB 1.633 33.420 31.823 -0.061 0.000 0.985 619 V HN 0.065 nan 8.190 nan 0.000 0.438 620 D N 3.680 124.077 120.400 -0.005 0.000 2.393 620 D HA 0.081 4.324 4.640 -0.662 0.000 0.232 620 D C 1.141 177.402 176.300 -0.066 0.000 1.192 620 D CA -0.337 53.630 54.000 -0.055 0.000 0.882 620 D CB 0.919 41.664 40.800 -0.090 0.000 1.038 620 D HN 0.721 nan 8.370 nan 0.000 0.499 621 D N 2.556 122.917 120.400 -0.065 0.000 2.350 621 D HA -0.169 4.074 4.640 -0.662 0.000 0.216 621 D C 0.620 176.885 176.300 -0.060 0.000 0.968 621 D CA 0.342 54.298 54.000 -0.074 0.000 0.894 621 D CB 0.294 41.044 40.800 -0.084 0.000 0.909 621 D HN 0.192 nan 8.370 nan 0.000 0.520 622 K N 0.090 120.464 120.400 -0.043 0.000 2.404 622 K HA 0.186 4.109 4.320 -0.662 0.000 0.194 622 K C 0.471 177.083 176.600 0.020 0.000 1.023 622 K CA 0.056 56.334 56.287 -0.015 0.000 1.094 622 K CB 0.491 32.983 32.500 -0.014 0.000 0.841 622 K HN 0.019 nan 8.250 nan 0.000 0.523 623 R N 0.769 121.268 120.500 -0.003 0.000 2.653 623 R HA 0.366 4.308 4.340 -0.662 0.000 0.269 623 R C -0.955 175.385 176.300 0.066 0.000 1.603 623 R CA -0.102 56.025 56.100 0.045 0.000 1.671 623 R CB 0.525 30.725 30.300 -0.166 0.000 1.300 623 R HN 0.024 nan 8.270 nan 0.000 0.668 624 I N 0.988 121.676 120.570 0.198 0.000 2.433 624 I HA 0.613 4.386 4.170 -0.662 0.000 0.292 624 I C -0.030 176.371 176.117 0.473 0.000 1.001 624 I CA -0.798 60.645 61.300 0.238 0.000 1.119 624 I CB 2.007 39.987 38.000 -0.033 0.000 1.289 624 I HN 0.309 nan 8.210 nan 0.000 0.438 625 A N 6.773 129.959 122.820 0.611 0.000 2.435 625 A HA 0.938 4.861 4.320 -0.662 0.000 0.296 625 A C -1.229 176.711 177.584 0.594 0.000 1.147 625 A CA -0.642 51.732 52.037 0.562 0.000 0.775 625 A CB 2.182 21.399 19.000 0.362 0.000 1.340 625 A HN 0.734 nan 8.150 nan 0.000 0.427 626 I N 0.342 121.187 120.570 0.459 0.000 2.752 626 I HA 0.699 4.472 4.170 -0.662 0.000 0.295 626 I C -1.963 174.417 176.117 0.438 0.000 1.219 626 I CA -0.538 60.987 61.300 0.374 0.000 1.030 626 I CB 1.646 39.638 38.000 -0.013 0.000 1.259 626 I HN 0.950 nan 8.210 nan 0.000 0.423 627 W N 7.014 128.452 121.300 0.231 0.000 3.118 627 W HA 0.878 5.138 4.660 -0.667 0.000 0.328 627 W C -1.392 175.275 176.519 0.246 0.000 1.239 627 W CA -0.999 56.486 57.345 0.233 0.000 1.176 627 W CB 1.137 30.782 29.460 0.308 0.000 1.433 627 W HN 0.843 nan 8.180 nan 0.000 0.562 628 G N 0.700 109.453 108.800 -0.079 0.000 2.576 628 G HA2 0.466 4.029 3.960 -0.662 0.000 0.290 628 G HA3 0.466 4.029 3.960 -0.662 0.000 0.290 628 G C -2.799 172.034 174.900 -0.112 0.000 1.442 628 G CA -0.748 44.122 45.100 -0.384 0.000 0.792 628 G HN 0.599 nan 8.290 nan 0.000 0.491 629 W N 1.027 122.138 121.300 -0.314 0.000 2.702 629 W HA 0.573 4.840 4.660 -0.655 0.000 0.331 629 W C 0.736 177.188 176.519 -0.112 0.000 1.049 629 W CA 0.416 57.657 57.345 -0.173 0.000 1.230 629 W CB 1.604 30.945 29.460 -0.198 0.000 1.408 629 W HN 1.078 nan 8.180 nan 0.000 0.492 630 S N 1.961 117.833 115.700 0.287 0.000 4.116 630 S HA -0.425 3.648 4.470 -0.662 0.000 0.623 630 S C 0.804 175.505 174.600 0.167 0.000 1.933 630 S CA 1.569 59.922 58.200 0.255 0.000 4.224 630 S CB -1.526 61.858 63.200 0.306 0.000 0.208 630 S HN 0.743 nan 8.310 nan 0.000 0.527 631 Y N 2.991 123.366 120.300 0.125 0.000 2.207 631 Y HA -0.005 4.149 4.550 -0.660 0.000 0.287 631 Y C 2.426 178.506 175.900 0.301 0.000 1.156 631 Y CA 2.280 60.537 58.100 0.261 0.000 1.182 631 Y CB -0.988 37.713 38.460 0.401 0.000 0.979 631 Y HN 0.550 nan 8.280 nan 0.000 0.521 632 G N -1.019 108.019 108.800 0.396 0.000 2.432 632 G HA2 -0.217 3.345 3.960 -0.662 0.000 0.219 632 G HA3 -0.217 3.345 3.960 -0.662 0.000 0.219 632 G C 1.894 176.875 174.900 0.135 0.000 1.135 632 G CA 0.736 45.991 45.100 0.259 0.000 0.767 632 G HN 0.576 nan 8.290 nan 0.000 0.550 633 G N -0.178 108.689 108.800 0.112 0.000 2.402 633 G HA2 -0.213 3.350 3.960 -0.662 0.000 0.216 633 G HA3 -0.213 3.350 3.960 -0.662 0.000 0.216 633 G C 1.590 176.543 174.900 0.089 0.000 1.162 633 G CA 1.038 46.185 45.100 0.078 0.000 0.777 633 G HN 0.406 nan 8.290 nan 0.000 0.539 634 Y N 1.418 121.664 120.300 -0.091 0.000 2.114 634 Y HA -0.135 4.017 4.550 -0.664 0.000 0.284 634 Y C 2.769 178.612 175.900 -0.095 0.000 1.143 634 Y CA 1.665 59.658 58.100 -0.177 0.000 1.135 634 Y CB -0.505 37.704 38.460 -0.417 0.000 0.980 634 Y HN 0.028 nan 8.280 nan 0.000 0.499 635 V N -0.385 119.451 119.914 -0.130 0.000 2.343 635 V HA -0.309 3.414 4.120 -0.662 0.000 0.247 635 V C 2.336 178.349 176.094 -0.134 0.000 1.051 635 V CA 2.376 64.583 62.300 -0.154 0.000 1.036 635 V CB -1.170 30.733 31.823 0.134 0.000 0.654 635 V HN 0.483 nan 8.190 nan 0.000 0.451 636 T N -0.067 114.463 114.554 -0.039 0.000 2.665 636 T HA -0.209 3.743 4.350 -0.662 0.000 0.268 636 T C 2.143 176.797 174.700 -0.077 0.000 1.035 636 T CA 2.092 64.169 62.100 -0.038 0.000 1.151 636 T CB -0.251 68.673 68.868 0.094 0.000 0.862 636 T HN 0.528 nan 8.240 nan 0.000 0.438 637 S N 0.905 116.590 115.700 -0.025 0.000 2.355 637 S HA -0.004 4.069 4.470 -0.662 0.000 0.222 637 S C 2.132 176.649 174.600 -0.137 0.000 1.031 637 S CA 0.884 59.084 58.200 0.001 0.000 0.993 637 S CB -0.263 62.991 63.200 0.090 0.000 0.859 637 S HN 0.301 nan 8.310 nan 0.000 0.453 638 M N 1.056 120.491 119.600 -0.275 0.000 2.159 638 M HA -0.031 4.052 4.480 -0.662 0.000 0.263 638 M C 2.190 178.337 176.300 -0.255 0.000 1.063 638 M CA 1.053 56.174 55.300 -0.300 0.000 1.110 638 M CB -1.478 30.844 32.600 -0.463 0.000 1.374 638 M HN 0.167 nan 8.290 nan 0.000 0.411 639 V N 0.481 120.234 119.914 -0.268 0.000 2.307 639 V HA -0.239 3.483 4.120 -0.662 0.000 0.245 639 V C 2.514 178.402 176.094 -0.342 0.000 1.045 639 V CA 1.367 63.497 62.300 -0.284 0.000 1.024 639 V CB -0.591 30.991 31.823 -0.401 0.000 0.651 639 V HN 0.397 nan 8.190 nan 0.000 0.449 640 L N 0.389 121.348 121.223 -0.439 0.000 2.131 640 L HA -0.071 3.872 4.340 -0.662 0.000 0.210 640 L C 2.298 178.677 176.870 -0.818 0.000 1.092 640 L CA 1.562 56.063 54.840 -0.564 0.000 0.759 640 L CB -0.821 40.849 42.059 -0.648 0.000 0.903 640 L HN 0.490 nan 8.230 nan 0.000 0.435 641 G N -1.172 107.138 108.800 -0.817 0.000 3.088 641 G HA2 0.150 3.713 3.960 -0.662 0.000 0.212 641 G HA3 0.150 3.713 3.960 -0.662 0.000 0.212 641 G C 1.433 176.173 174.900 -0.265 0.000 1.173 641 G CA 0.520 45.243 45.100 -0.628 0.000 0.779 641 G HN 0.398 nan 8.290 nan 0.000 0.540 642 A N -0.139 122.550 122.820 -0.218 0.000 2.169 642 A HA 0.461 4.384 4.320 -0.662 0.000 0.212 642 A C 2.030 179.573 177.584 -0.068 0.000 1.153 642 A CA 1.144 53.119 52.037 -0.104 0.000 0.756 642 A CB -0.327 18.635 19.000 -0.063 0.000 0.813 642 A HN 1.423 nan 8.150 nan 0.000 0.471 643 G N 0.193 108.940 108.800 -0.089 0.000 2.246 643 G HA2 -0.288 3.275 3.960 -0.662 0.000 0.273 643 G HA3 -0.288 3.275 3.960 -0.662 0.000 0.273 643 G C 0.945 175.840 174.900 -0.010 0.000 1.055 643 G CA 1.211 46.283 45.100 -0.047 0.000 0.851 643 G HN 1.397 nan 8.290 nan 0.000 0.500 644 S N -1.260 114.450 115.700 0.017 0.000 2.470 644 S HA 0.353 4.426 4.470 -0.662 0.000 0.225 644 S C 2.414 177.029 174.600 0.026 0.000 1.006 644 S CA 1.416 59.639 58.200 0.038 0.000 0.934 644 S CB 0.040 63.296 63.200 0.093 0.000 0.778 644 S HN 2.369 nan 8.310 nan 0.000 0.517 645 G N 0.260 109.081 108.800 0.035 0.000 2.184 645 G HA2 -0.291 3.272 3.960 -0.662 0.000 0.264 645 G HA3 -0.291 3.272 3.960 -0.662 0.000 0.264 645 G C 0.742 175.637 174.900 -0.008 0.000 0.975 645 G CA 0.408 45.517 45.100 0.016 0.000 0.642 645 G HN 0.662 nan 8.290 nan 0.000 0.536 646 V N -0.563 119.339 119.914 -0.020 0.000 2.535 646 V HA 0.296 4.019 4.120 -0.662 0.000 0.246 646 V C 1.139 177.021 176.094 -0.353 0.000 1.045 646 V CA 1.412 63.570 62.300 -0.237 0.000 1.058 646 V CB -0.325 31.246 31.823 -0.420 0.000 0.689 646 V HN 0.289 nan 8.190 nan 0.000 0.461 647 F N 0.006 119.977 119.950 0.034 0.000 2.436 647 F HA 0.421 4.552 4.527 -0.660 0.000 0.340 647 F C 1.084 176.931 175.800 0.078 0.000 1.113 647 F CA -0.646 57.399 58.000 0.076 0.000 1.022 647 F CB 1.435 40.482 39.000 0.079 0.000 1.128 647 F HN -0.250 nan 8.300 nan 0.000 0.466 648 K N 1.602 122.163 120.400 0.270 0.000 2.186 648 K HA 0.104 4.027 4.320 -0.662 0.000 0.202 648 K C -0.132 176.597 176.600 0.214 0.000 1.052 648 K CA 0.909 57.316 56.287 0.200 0.000 0.965 648 K CB 0.248 32.862 32.500 0.190 0.000 0.746 648 K HN 0.815 nan 8.250 nan 0.000 0.457 649 c N -3.220 115.547 118.600 0.279 0.000 3.306 649 c HA 0.878 5.051 4.570 -0.662 0.000 0.335 649 c C -0.279 174.036 174.090 0.375 0.000 1.382 649 c CA -0.606 55.908 56.329 0.309 0.000 1.254 649 c CB 1.094 43.725 42.510 0.203 0.000 1.555 649 c HN 0.335 nan 8.230 nan 0.000 0.463 650 G N -0.129 108.951 108.800 0.468 0.000 2.601 650 G HA2 0.723 4.286 3.960 -0.662 0.000 0.291 650 G HA3 0.723 4.286 3.960 -0.662 0.000 0.291 650 G C -2.076 173.042 174.900 0.363 0.000 1.456 650 G CA -0.698 44.648 45.100 0.411 0.000 0.804 650 G HN 1.042 nan 8.290 nan 0.000 0.499 651 I N 0.539 121.284 120.570 0.291 0.000 2.499 651 I HA 0.630 4.403 4.170 -0.662 0.000 0.288 651 I C 0.098 176.324 176.117 0.182 0.000 1.048 651 I CA -0.972 60.372 61.300 0.073 0.000 1.062 651 I CB 2.300 40.321 38.000 0.036 0.000 1.238 651 I HN 0.686 nan 8.210 nan 0.000 0.426 652 A N 6.250 129.077 122.820 0.012 0.000 2.318 652 A HA 0.810 4.733 4.320 -0.662 0.000 0.317 652 A C -0.859 176.647 177.584 -0.131 0.000 1.159 652 A CA -0.530 51.535 52.037 0.047 0.000 0.799 652 A CB 1.293 20.387 19.000 0.156 0.000 1.194 652 A HN 0.435 nan 8.150 nan 0.000 0.479 653 V N 2.121 121.912 119.914 -0.205 0.000 2.384 653 V HA 0.572 4.295 4.120 -0.662 0.000 0.287 653 V C 0.877 176.585 176.094 -0.644 0.000 1.020 653 V CA 0.371 62.334 62.300 -0.561 0.000 0.850 653 V CB 0.810 32.013 31.823 -1.033 0.000 0.987 653 V HN 2.153 nan 8.190 nan 0.000 0.436 654 A N 5.693 128.109 122.820 -0.673 0.000 2.560 654 A HA -0.100 3.823 4.320 -0.662 0.000 0.299 654 A C -1.736 175.684 177.584 -0.275 0.000 1.484 654 A CA 0.436 51.969 52.037 -0.839 0.000 0.749 654 A CB -1.580 17.093 19.000 -0.545 0.000 1.072 654 A HN 0.607 nan 8.150 nan 0.000 0.426 655 P HA 0.409 nan 4.420 nan 0.000 0.277 655 P C 0.243 177.505 177.300 -0.062 0.000 1.240 655 P CA -0.179 62.900 63.100 -0.035 0.000 0.798 655 P CB 1.310 33.023 31.700 0.022 0.000 0.979 656 V N 2.329 122.115 119.914 -0.214 0.000 2.686 656 V HA 0.069 3.792 4.120 -0.662 0.000 0.295 656 V C 1.712 177.623 176.094 -0.305 0.000 1.055 656 V CA 1.024 63.047 62.300 -0.461 0.000 1.050 656 V CB 0.807 31.945 31.823 -1.141 0.000 0.984 656 V HN 0.847 nan 8.190 nan 0.000 0.482 657 S N 2.614 118.162 115.700 -0.253 0.000 2.593 657 S HA 0.300 4.373 4.470 -0.662 0.000 0.235 657 S C 0.273 174.740 174.600 -0.221 0.000 1.059 657 S CA -0.251 57.882 58.200 -0.111 0.000 0.953 657 S CB 0.277 63.464 63.200 -0.022 0.000 0.897 657 S HN 0.664 nan 8.310 nan 0.000 0.507 658 K N -0.366 119.786 120.400 -0.413 0.000 2.588 658 K HA 0.299 4.222 4.320 -0.662 0.000 0.250 658 K C -1.053 175.244 176.600 -0.504 0.000 0.972 658 K CA -0.673 55.320 56.287 -0.490 0.000 0.821 658 K CB 0.678 32.749 32.500 -0.715 0.000 1.249 658 K HN 0.148 nan 8.250 nan 0.000 0.442 659 W N 2.187 123.451 121.300 -0.059 0.000 2.392 659 W HA -0.099 4.170 4.660 -0.653 0.000 0.279 659 W C 1.204 177.876 176.519 0.255 0.000 1.225 659 W CA 0.765 58.169 57.345 0.098 0.000 1.233 659 W CB 0.267 29.735 29.460 0.015 0.000 1.122 659 W HN 0.745 nan 8.180 nan 0.000 0.561 660 E N -1.029 119.327 120.200 0.260 0.000 2.409 660 E HA -0.193 3.760 4.350 -0.662 0.000 0.198 660 E C 1.150 177.876 176.600 0.210 0.000 1.024 660 E CA 0.827 57.312 56.400 0.143 0.000 0.861 660 E CB -0.239 29.430 29.700 -0.053 0.000 0.788 660 E HN 0.391 nan 8.360 nan 0.000 0.521 661 Y N -1.597 118.790 120.300 0.145 0.000 2.500 661 Y HA 0.089 4.253 4.550 -0.642 0.000 0.270 661 Y C 0.614 176.606 175.900 0.154 0.000 1.134 661 Y CA -0.381 57.774 58.100 0.092 0.000 1.293 661 Y CB -0.365 38.094 38.460 -0.001 0.000 1.063 661 Y HN 0.012 nan 8.280 nan 0.000 0.534 662 Y N 1.920 122.368 120.300 0.246 0.000 2.408 662 Y HA 0.297 4.446 4.550 -0.667 0.000 0.324 662 Y C 0.314 176.417 175.900 0.337 0.000 1.302 662 Y CA -2.166 56.083 58.100 0.248 0.000 1.384 662 Y CB 0.370 39.008 38.460 0.298 0.000 1.367 662 Y HN 0.192 nan 8.280 nan 0.000 0.525 663 D N -0.681 119.412 120.400 -0.511 0.000 2.362 663 D HA 0.099 4.342 4.640 -0.662 0.000 0.242 663 D C 0.964 177.227 176.300 -0.062 0.000 1.132 663 D CA 0.352 54.127 54.000 -0.376 0.000 0.907 663 D CB 0.916 41.248 40.800 -0.780 0.000 1.195 663 D HN 0.475 nan 8.370 nan 0.000 0.429 664 S N 1.187 116.865 115.700 -0.036 0.000 2.359 664 S HA -0.230 3.843 4.470 -0.662 0.000 0.224 664 S C 1.885 176.517 174.600 0.053 0.000 1.035 664 S CA 1.249 59.486 58.200 0.062 0.000 1.018 664 S CB -1.005 62.235 63.200 0.067 0.000 0.876 664 S HN 0.431 nan 8.310 nan 0.000 0.448 665 V N 0.837 120.724 119.914 -0.045 0.000 2.255 665 V HA -0.174 3.549 4.120 -0.662 0.000 0.247 665 V C 2.321 178.354 176.094 -0.101 0.000 1.051 665 V CA 2.263 64.464 62.300 -0.164 0.000 1.018 665 V CB -1.139 30.411 31.823 -0.455 0.000 0.641 665 V HN 0.594 nan 8.190 nan 0.000 0.445 666 Y N 1.373 121.619 120.300 -0.091 0.000 2.133 666 Y HA -0.237 3.918 4.550 -0.658 0.000 0.287 666 Y C 2.747 178.659 175.900 0.020 0.000 1.134 666 Y CA 2.341 60.464 58.100 0.038 0.000 1.133 666 Y CB -0.667 38.015 38.460 0.370 0.000 0.987 666 Y HN 0.235 nan 8.280 nan 0.000 0.502 667 T N 0.342 115.151 114.554 0.425 0.000 2.652 667 T HA -0.215 3.738 4.350 -0.662 0.000 0.267 667 T C 1.586 176.290 174.700 0.007 0.000 1.039 667 T CA 1.985 64.271 62.100 0.311 0.000 1.153 667 T CB -0.331 68.858 68.868 0.535 0.000 0.863 667 T HN 0.449 nan 8.240 nan 0.000 0.428 668 E N 0.482 120.701 120.200 0.032 0.000 2.204 668 E HA -0.085 3.868 4.350 -0.662 0.000 0.194 668 E C 2.353 178.839 176.600 -0.189 0.000 0.989 668 E CA 0.477 56.875 56.400 -0.003 0.000 0.824 668 E CB -0.116 29.623 29.700 0.065 0.000 0.756 668 E HN 0.326 nan 8.360 nan 0.000 0.477 669 R N 0.113 120.359 120.500 -0.424 0.000 2.103 669 R HA -0.198 3.745 4.340 -0.662 0.000 0.242 669 R C 1.291 177.082 176.300 -0.849 0.000 1.142 669 R CA 1.641 57.315 56.100 -0.710 0.000 0.960 669 R CB -0.035 29.534 30.300 -1.218 0.000 0.858 669 R HN 0.228 nan 8.270 nan 0.000 0.439 670 Y N -2.255 117.738 120.300 -0.512 0.000 2.507 670 Y HA 0.227 4.379 4.550 -0.663 0.000 0.263 670 Y C 1.559 177.241 175.900 -0.363 0.000 1.093 670 Y CA 0.065 57.839 58.100 -0.543 0.000 1.285 670 Y CB 0.494 38.499 38.460 -0.757 0.000 1.115 670 Y HN -0.019 nan 8.280 nan 0.000 0.533 671 M N -0.556 118.913 119.600 -0.219 0.000 2.306 671 M HA 0.376 4.459 4.480 -0.662 0.000 0.292 671 M C 1.063 177.350 176.300 -0.022 0.000 1.018 671 M CA 0.675 55.831 55.300 -0.240 0.000 1.007 671 M CB -0.146 32.085 32.600 -0.615 0.000 1.510 671 M HN 0.318 nan 8.290 nan 0.000 0.537 672 G N 2.011 110.824 108.800 0.022 0.000 2.601 672 G HA2 -0.254 3.309 3.960 -0.662 0.000 0.252 672 G HA3 -0.254 3.309 3.960 -0.662 0.000 0.252 672 G C -0.486 174.546 174.900 0.221 0.000 1.294 672 G CA -0.663 44.492 45.100 0.091 0.000 0.912 672 G HN 0.358 nan 8.290 nan 0.000 0.574 673 L N 2.151 123.476 121.223 0.171 0.000 2.325 673 L HA 0.431 4.374 4.340 -0.662 0.000 0.279 673 L C -1.366 175.525 176.870 0.036 0.000 1.054 673 L CA -1.802 53.102 54.840 0.108 0.000 0.804 673 L CB 2.014 44.092 42.059 0.032 0.000 1.200 673 L HN 0.456 nan 8.230 nan 0.000 0.436 674 P HA 0.039 nan 4.420 nan 0.000 0.228 674 P C -0.473 176.695 177.300 -0.220 0.000 1.748 674 P CA -0.061 62.662 63.100 -0.629 0.000 0.909 674 P CB -0.546 30.493 31.700 -1.103 0.000 1.882 675 T N -3.244 111.267 114.554 -0.073 0.000 2.908 675 T HA 0.441 4.394 4.350 -0.662 0.000 0.290 675 T C -1.985 172.723 174.700 0.013 0.000 1.034 675 T CA -2.457 59.626 62.100 -0.029 0.000 1.010 675 T CB 2.040 70.897 68.868 -0.019 0.000 1.068 675 T HN -0.228 nan 8.240 nan 0.000 0.481 676 P HA -0.104 nan 4.420 nan 0.000 0.218 676 P C 0.758 178.080 177.300 0.035 0.000 1.148 676 P CA 1.215 64.333 63.100 0.031 0.000 0.822 676 P CB 0.120 31.833 31.700 0.021 0.000 0.784 677 E N -0.938 119.276 120.200 0.024 0.000 2.418 677 E HA -0.084 3.869 4.350 -0.662 0.000 0.197 677 E C 1.437 178.055 176.600 0.029 0.000 1.026 677 E CA 0.783 57.196 56.400 0.022 0.000 0.862 677 E CB -0.314 29.393 29.700 0.012 0.000 0.799 677 E HN 0.329 nan 8.360 nan 0.000 0.518 678 D N -0.499 119.925 120.400 0.041 0.000 3.066 678 D HA 0.093 4.336 4.640 -0.662 0.000 0.225 678 D C 0.239 176.589 176.300 0.084 0.000 1.397 678 D CA 0.043 54.074 54.000 0.052 0.000 1.344 678 D CB -0.097 40.734 40.800 0.052 0.000 0.934 678 D HN -0.005 nan 8.370 nan 0.000 0.202 679 N N 0.058 118.844 118.700 0.143 0.000 2.291 679 N HA 0.051 4.394 4.740 -0.662 0.000 0.244 679 N C 1.253 176.975 175.510 0.353 0.000 1.216 679 N CA -0.104 53.080 53.050 0.222 0.000 0.879 679 N CB 0.784 39.400 38.487 0.214 0.000 1.167 679 N HN 0.011 nan 8.380 nan 0.000 0.515 680 L N 1.237 122.595 121.223 0.225 0.000 2.081 680 L HA -0.197 3.746 4.340 -0.662 0.000 0.212 680 L C 1.367 178.375 176.870 0.230 0.000 1.080 680 L CA 1.985 56.936 54.840 0.186 0.000 0.754 680 L CB -0.376 41.722 42.059 0.064 0.000 0.893 680 L HN 0.171 nan 8.230 nan 0.000 0.433 681 D N -1.350 119.180 120.400 0.216 0.000 2.149 681 D HA -0.232 4.011 4.640 -0.662 0.000 0.198 681 D C 2.004 178.380 176.300 0.127 0.000 0.990 681 D CA 1.634 55.732 54.000 0.162 0.000 0.839 681 D CB -0.286 40.616 40.800 0.170 0.000 0.948 681 D HN 0.447 nan 8.370 nan 0.000 0.460 682 Y N -0.791 119.575 120.300 0.110 0.000 2.519 682 Y HA -0.042 4.111 4.550 -0.662 0.000 0.287 682 Y C 1.935 177.894 175.900 0.098 0.000 1.128 682 Y CA 0.223 58.362 58.100 0.065 0.000 1.282 682 Y CB -0.351 38.106 38.460 -0.004 0.000 1.027 682 Y HN 0.039 nan 8.280 nan 0.000 0.551 683 Y N -0.391 120.017 120.300 0.179 0.000 2.220 683 Y HA -0.136 4.015 4.550 -0.664 0.000 0.291 683 Y C 2.399 178.359 175.900 0.100 0.000 1.129 683 Y CA 1.308 59.508 58.100 0.167 0.000 1.161 683 Y CB -0.106 38.433 38.460 0.131 0.000 0.997 683 Y HN -0.112 nan 8.280 nan 0.000 0.522 684 R N 0.299 120.934 120.500 0.225 0.000 2.115 684 R HA -0.111 3.832 4.340 -0.662 0.000 0.230 684 R C 1.265 177.593 176.300 0.047 0.000 1.111 684 R CA 1.390 57.551 56.100 0.102 0.000 0.976 684 R CB -0.329 30.007 30.300 0.061 0.000 0.870 684 R HN 0.414 nan 8.270 nan 0.000 0.445 685 N N -0.103 118.600 118.700 0.005 0.000 2.251 685 N HA -0.040 4.303 4.740 -0.662 0.000 0.217 685 N C 0.225 175.736 175.510 0.001 0.000 1.124 685 N CA 0.325 53.354 53.050 -0.035 0.000 0.843 685 N CB 0.649 39.063 38.487 -0.122 0.000 1.024 685 N HN 0.019 nan 8.380 nan 0.000 0.501 686 S N -1.310 114.442 115.700 0.088 0.000 2.593 686 S HA 0.081 4.154 4.470 -0.662 0.000 0.236 686 S C 0.569 175.311 174.600 0.237 0.000 0.991 686 S CA -0.412 57.902 58.200 0.190 0.000 0.963 686 S CB -0.628 62.756 63.200 0.308 0.000 0.865 686 S HN 0.342 nan 8.310 nan 0.000 0.488 687 T N -0.985 113.638 114.554 0.115 0.000 2.904 687 T HA 0.492 4.445 4.350 -0.662 0.000 0.290 687 T C 1.330 176.059 174.700 0.049 0.000 1.018 687 T CA -0.542 61.593 62.100 0.058 0.000 1.075 687 T CB 1.292 70.147 68.868 -0.022 0.000 0.986 687 T HN -0.043 nan 8.240 nan 0.000 0.523 688 V N 1.912 121.845 119.914 0.032 0.000 2.453 688 V HA -0.113 3.609 4.120 -0.662 0.000 0.247 688 V C 2.606 178.679 176.094 -0.035 0.000 1.048 688 V CA 1.517 63.814 62.300 -0.004 0.000 1.049 688 V CB -0.979 30.828 31.823 -0.026 0.000 0.672 688 V HN 0.822 nan 8.190 nan 0.000 0.457 689 M N 1.259 120.821 119.600 -0.064 0.000 2.202 689 M HA -0.161 3.922 4.480 -0.662 0.000 0.262 689 M C 2.317 178.593 176.300 -0.040 0.000 1.063 689 M CA 2.045 57.296 55.300 -0.082 0.000 1.097 689 M CB -1.001 31.560 32.600 -0.064 0.000 1.382 689 M HN 0.526 nan 8.290 nan 0.000 0.413 690 S N -0.070 115.621 115.700 -0.015 0.000 2.469 690 S HA -0.089 3.984 4.470 -0.662 0.000 0.238 690 S C 1.709 176.316 174.600 0.012 0.000 0.998 690 S CA 0.732 58.930 58.200 -0.003 0.000 0.957 690 S CB -0.403 62.796 63.200 -0.002 0.000 0.764 690 S HN 0.564 nan 8.310 nan 0.000 0.514 691 R N 0.253 120.776 120.500 0.038 0.000 2.507 691 R HA 0.468 4.411 4.340 -0.662 0.000 0.298 691 R C 2.035 178.444 176.300 0.180 0.000 0.999 691 R CA 0.399 56.547 56.100 0.081 0.000 1.082 691 R CB -0.101 30.243 30.300 0.072 0.000 1.246 691 R HN 0.452 nan 8.270 nan 0.000 0.553 692 A N 1.662 124.537 122.820 0.091 0.000 1.903 692 A HA -0.298 3.625 4.320 -0.662 0.000 0.219 692 A C 2.048 179.726 177.584 0.156 0.000 1.191 692 A CA 1.987 54.056 52.037 0.053 0.000 0.638 692 A CB -0.268 18.688 19.000 -0.074 0.000 0.823 692 A HN 0.272 nan 8.150 nan 0.000 0.451 693 E N 0.501 120.759 120.200 0.097 0.000 2.097 693 E HA -0.204 3.749 4.350 -0.662 0.000 0.196 693 E C 1.666 178.327 176.600 0.102 0.000 1.000 693 E CA 1.953 58.404 56.400 0.084 0.000 0.804 693 E CB -0.585 29.145 29.700 0.049 0.000 0.740 693 E HN 0.789 nan 8.360 nan 0.000 0.454 694 N N -1.210 117.543 118.700 0.088 0.000 2.443 694 N HA -0.117 4.226 4.740 -0.662 0.000 0.184 694 N C 0.839 176.326 175.510 -0.038 0.000 1.037 694 N CA 0.361 53.412 53.050 0.002 0.000 0.896 694 N CB -0.157 38.283 38.487 -0.079 0.000 0.959 694 N HN 0.153 nan 8.380 nan 0.000 0.442 695 F N 1.399 121.308 119.950 -0.068 0.000 2.604 695 F HA 0.033 4.167 4.527 -0.655 0.000 0.298 695 F C 1.870 177.681 175.800 0.018 0.000 1.131 695 F CA 0.646 58.604 58.000 -0.069 0.000 1.457 695 F CB 0.016 38.927 39.000 -0.149 0.000 1.095 695 F HN -0.094 nan 8.300 nan 0.000 0.574 696 K N 0.011 120.518 120.400 0.177 0.000 2.360 696 K HA -0.172 3.751 4.320 -0.662 0.000 0.201 696 K C 1.484 178.147 176.600 0.104 0.000 1.046 696 K CA 0.991 57.363 56.287 0.141 0.000 0.945 696 K CB -0.214 32.349 32.500 0.103 0.000 0.750 696 K HN 0.432 nan 8.250 nan 0.000 0.464 697 Q N 0.357 120.196 119.800 0.066 0.000 2.403 697 Q HA 0.024 3.967 4.340 -0.662 0.000 0.203 697 Q C 0.395 176.433 176.000 0.062 0.000 0.932 697 Q CA 0.099 55.931 55.803 0.047 0.000 0.945 697 Q CB 0.555 29.300 28.738 0.012 0.000 1.045 697 Q HN 0.135 nan 8.270 nan 0.000 0.511 698 V N -3.424 116.544 119.914 0.089 0.000 3.160 698 V HA 0.480 4.203 4.120 -0.662 0.000 0.310 698 V C -1.353 174.877 176.094 0.228 0.000 1.181 698 V CA -1.329 61.049 62.300 0.130 0.000 1.047 698 V CB 2.311 34.176 31.823 0.070 0.000 1.068 698 V HN -0.046 nan 8.190 nan 0.000 0.441 699 E N 1.257 121.620 120.200 0.272 0.000 2.134 699 E HA 0.506 4.459 4.350 -0.662 0.000 0.278 699 E C -1.884 175.077 176.600 0.601 0.000 0.959 699 E CA -0.352 56.271 56.400 0.371 0.000 0.783 699 E CB 1.851 31.681 29.700 0.217 0.000 1.095 699 E HN 0.685 nan 8.360 nan 0.000 0.399 700 Y N 3.317 123.885 120.300 0.447 0.000 2.425 700 Y HA 0.463 4.617 4.550 -0.660 0.000 0.344 700 Y C -1.650 174.353 175.900 0.171 0.000 0.969 700 Y CA -1.214 57.093 58.100 0.346 0.000 1.052 700 Y CB 1.104 39.803 38.460 0.398 0.000 1.215 700 Y HN 0.443 nan 8.280 nan 0.000 0.451 701 L N 7.962 128.884 121.223 -0.500 0.000 2.343 701 L HA 0.501 4.444 4.340 -0.662 0.000 0.278 701 L C -1.909 174.482 176.870 -0.799 0.000 0.996 701 L CA -1.119 53.287 54.840 -0.723 0.000 0.831 701 L CB 1.452 42.771 42.059 -1.232 0.000 1.232 701 L HN 0.719 nan 8.230 nan 0.000 0.413 702 L N 6.622 127.472 121.223 -0.621 0.000 2.305 702 L HA 0.613 4.556 4.340 -0.662 0.000 0.284 702 L C -0.920 175.814 176.870 -0.226 0.000 1.013 702 L CA 0.001 54.538 54.840 -0.505 0.000 0.819 702 L CB 1.382 43.205 42.059 -0.394 0.000 1.227 702 L HN 0.416 nan 8.230 nan 0.000 0.417 703 I N 4.868 125.320 120.570 -0.197 0.000 2.509 703 I HA 0.480 4.253 4.170 -0.662 0.000 0.293 703 I C -0.992 175.108 176.117 -0.028 0.000 1.020 703 I CA -0.764 60.474 61.300 -0.103 0.000 1.088 703 I CB 1.794 39.689 38.000 -0.175 0.000 1.267 703 I HN 0.572 nan 8.210 nan 0.000 0.430 704 H N 2.883 122.003 119.070 0.083 0.000 3.086 704 H HA 0.352 4.529 4.556 -0.632 0.000 0.353 704 H C -0.741 174.805 175.328 0.364 0.000 1.134 704 H CA -0.537 55.612 56.048 0.168 0.000 1.248 704 H CB 2.483 32.317 29.762 0.119 0.000 1.878 704 H HN 0.762 nan 8.280 nan 0.000 0.527 705 G N 1.242 110.388 108.800 0.575 0.000 2.370 705 G HA2 0.207 3.770 3.960 -0.662 0.000 0.272 705 G HA3 0.207 3.770 3.960 -0.662 0.000 0.272 705 G C 1.153 176.311 174.900 0.430 0.000 1.208 705 G CA 0.222 45.602 45.100 0.465 0.000 0.856 705 G HN 0.659 nan 8.290 nan 0.000 0.500 706 T N -0.388 114.260 114.554 0.157 0.000 2.962 706 T HA 0.025 3.978 4.350 -0.662 0.000 0.270 706 T C 1.702 176.354 174.700 -0.081 0.000 1.088 706 T CA 1.323 63.303 62.100 -0.199 0.000 1.127 706 T CB 0.129 68.789 68.868 -0.345 0.000 0.883 706 T HN 0.680 nan 8.240 nan 0.000 0.493 707 A N 0.999 123.864 122.820 0.075 0.000 2.684 707 A HA 0.310 4.233 4.320 -0.662 0.000 0.288 707 A C 0.386 177.956 177.584 -0.024 0.000 1.337 707 A CA -0.516 51.574 52.037 0.089 0.000 0.946 707 A CB -0.286 19.027 19.000 0.522 0.000 1.093 707 A HN 0.395 nan 8.150 nan 0.000 0.543 708 D N 1.456 121.838 120.400 -0.031 0.000 2.338 708 D HA 0.003 4.246 4.640 -0.662 0.000 0.255 708 D C 0.323 176.570 176.300 -0.088 0.000 1.237 708 D CA 0.087 54.169 54.000 0.136 0.000 0.883 708 D CB 0.731 41.772 40.800 0.403 0.000 1.087 708 D HN 0.567 nan 8.370 nan 0.000 0.485 709 D N 2.345 122.760 120.400 0.025 0.000 2.348 709 D HA -0.129 4.114 4.640 -0.662 0.000 0.211 709 D C 0.906 177.175 176.300 -0.051 0.000 0.998 709 D CA -0.093 53.861 54.000 -0.077 0.000 0.873 709 D CB 0.477 41.204 40.800 -0.122 0.000 0.925 709 D HN 0.221 nan 8.370 nan 0.000 0.524 710 N N 0.871 119.633 118.700 0.104 0.000 2.426 710 N HA -0.048 4.295 4.740 -0.662 0.000 0.205 710 N C -0.064 175.388 175.510 -0.096 0.000 1.040 710 N CA 0.495 53.639 53.050 0.157 0.000 0.990 710 N CB 0.413 38.962 38.487 0.103 0.000 1.215 710 N HN -0.111 nan 8.380 nan 0.000 0.491 711 V N 3.032 122.879 119.914 -0.112 0.000 2.304 711 V HA 0.220 3.943 4.120 -0.662 0.000 0.269 711 V C -0.488 175.646 176.094 0.066 0.000 1.036 711 V CA -0.473 61.814 62.300 -0.023 0.000 0.840 711 V CB -0.290 31.550 31.823 0.028 0.000 1.036 711 V HN 0.295 nan 8.190 nan 0.000 0.466 712 H N 3.393 122.413 119.070 -0.083 0.000 2.972 712 H HA -0.032 4.125 4.556 -0.664 0.000 0.343 712 H C 0.818 175.962 175.328 -0.306 0.000 1.054 712 H CA -0.053 55.855 56.048 -0.233 0.000 1.412 712 H CB 0.779 30.322 29.762 -0.364 0.000 1.385 712 H HN 0.647 nan 8.280 nan 0.000 0.600 713 F N 2.253 121.959 119.950 -0.406 0.000 2.147 713 F HA -0.322 4.123 4.527 -0.137 0.000 0.301 713 F C 2.591 178.097 175.800 -0.490 0.000 1.084 713 F CA 1.887 59.456 58.000 -0.718 0.000 1.268 713 F CB -0.228 38.532 39.000 -0.400 0.000 1.009 713 F HN 0.668 nan 8.300 nan 0.000 0.486 714 Q N 0.136 119.785 119.800 -0.251 0.000 2.182 714 Q HA -0.338 3.605 4.340 -0.662 0.000 0.213 714 Q C 2.118 177.854 176.000 -0.441 0.000 1.000 714 Q CA 2.462 58.062 55.803 -0.339 0.000 0.889 714 Q CB -0.356 28.160 28.738 -0.371 0.000 0.932 714 Q HN 0.609 nan 8.270 nan 0.000 0.415 715 Q N -0.491 119.094 119.800 -0.358 0.000 2.061 715 Q HA -0.124 3.819 4.340 -0.662 0.000 0.204 715 Q C 2.247 178.133 176.000 -0.190 0.000 0.984 715 Q CA 1.746 57.457 55.803 -0.153 0.000 0.846 715 Q CB -0.108 28.625 28.738 -0.007 0.000 0.902 715 Q HN 0.329 nan 8.270 nan 0.000 0.421 716 S N 0.555 116.034 115.700 -0.369 0.000 2.414 716 S HA 0.010 4.083 4.470 -0.662 0.000 0.227 716 S C 2.012 176.351 174.600 -0.434 0.000 1.022 716 S CA 0.673 58.666 58.200 -0.345 0.000 0.958 716 S CB -0.045 62.957 63.200 -0.330 0.000 0.797 716 S HN 0.457 nan 8.310 nan 0.000 0.493 717 A N 1.410 123.859 122.820 -0.619 0.000 1.933 717 A HA -0.124 3.799 4.320 -0.662 0.000 0.218 717 A C 2.141 179.610 177.584 -0.192 0.000 1.175 717 A CA 1.121 52.924 52.037 -0.389 0.000 0.628 717 A CB -0.415 18.405 19.000 -0.301 0.000 0.814 717 A HN 0.348 nan 8.150 nan 0.000 0.444 718 Q N -1.060 118.635 119.800 -0.176 0.000 2.123 718 Q HA -0.090 3.853 4.340 -0.662 0.000 0.199 718 Q C 2.104 178.064 176.000 -0.066 0.000 0.966 718 Q CA 1.197 56.962 55.803 -0.063 0.000 0.845 718 Q CB -0.490 28.280 28.738 0.053 0.000 0.907 718 Q HN 0.596 nan 8.270 nan 0.000 0.439 719 L N 1.209 122.369 121.223 -0.106 0.000 2.027 719 L HA -0.155 3.788 4.340 -0.662 0.000 0.206 719 L C 2.373 179.100 176.870 -0.239 0.000 1.074 719 L CA 2.384 57.125 54.840 -0.165 0.000 0.745 719 L CB -1.023 40.939 42.059 -0.162 0.000 0.898 719 L HN 0.221 nan 8.230 nan 0.000 0.433 720 S N -0.807 114.779 115.700 -0.190 0.000 2.368 720 S HA -0.304 3.769 4.470 -0.662 0.000 0.225 720 S C 2.152 176.744 174.600 -0.014 0.000 1.030 720 S CA 1.479 59.607 58.200 -0.120 0.000 0.999 720 S CB -0.736 62.541 63.200 0.127 0.000 0.844 720 S HN 0.565 nan 8.310 nan 0.000 0.459 721 K N 1.639 122.027 120.400 -0.020 0.000 2.097 721 K HA 0.008 3.931 4.320 -0.662 0.000 0.206 721 K C 2.232 178.823 176.600 -0.016 0.000 1.049 721 K CA 1.158 57.449 56.287 0.007 0.000 0.933 721 K CB -0.623 31.873 32.500 -0.006 0.000 0.717 721 K HN 0.478 nan 8.250 nan 0.000 0.442 722 A N 0.855 123.634 122.820 -0.069 0.000 1.929 722 A HA -0.056 3.867 4.320 -0.662 0.000 0.216 722 A C 2.036 179.556 177.584 -0.107 0.000 1.176 722 A CA 1.024 53.012 52.037 -0.081 0.000 0.628 722 A CB -0.438 18.500 19.000 -0.104 0.000 0.816 722 A HN 0.295 nan 8.150 nan 0.000 0.444 723 L N -0.742 120.357 121.223 -0.206 0.000 2.056 723 L HA -0.127 3.816 4.340 -0.662 0.000 0.207 723 L C 2.505 179.405 176.870 0.050 0.000 1.078 723 L CA 0.855 55.560 54.840 -0.226 0.000 0.749 723 L CB -0.559 41.074 42.059 -0.711 0.000 0.901 723 L HN 0.223 nan 8.230 nan 0.000 0.433 724 V N -0.112 119.890 119.914 0.146 0.000 2.295 724 V HA -0.296 3.427 4.120 -0.662 0.000 0.246 724 V C 2.023 178.173 176.094 0.092 0.000 1.049 724 V CA 1.934 64.346 62.300 0.187 0.000 1.024 724 V CB -0.492 31.431 31.823 0.166 0.000 0.648 724 V HN 0.426 nan 8.190 nan 0.000 0.447 725 D N 0.361 120.791 120.400 0.050 0.000 2.263 725 D HA -0.086 4.157 4.640 -0.662 0.000 0.208 725 D C 1.775 178.093 176.300 0.030 0.000 0.971 725 D CA 1.452 55.471 54.000 0.031 0.000 0.867 725 D CB -0.130 40.678 40.800 0.014 0.000 0.929 725 D HN 0.491 nan 8.370 nan 0.000 0.492 726 A N -0.597 122.241 122.820 0.031 0.000 2.345 726 A HA 0.480 4.403 4.320 -0.662 0.000 0.225 726 A C 1.584 179.203 177.584 0.058 0.000 1.243 726 A CA 0.625 52.682 52.037 0.035 0.000 0.875 726 A CB -0.146 18.866 19.000 0.020 0.000 0.929 726 A HN 0.162 nan 8.150 nan 0.000 0.502 727 G N -0.752 108.093 108.800 0.074 0.000 2.198 727 G HA2 -0.187 3.376 3.960 -0.662 0.000 0.260 727 G HA3 -0.187 3.376 3.960 -0.662 0.000 0.260 727 G C 0.060 175.030 174.900 0.116 0.000 1.025 727 G CA 0.332 45.483 45.100 0.085 0.000 0.769 727 G HN 0.796 nan 8.290 nan 0.000 0.507 728 V N 0.356 120.366 119.914 0.160 0.000 2.439 728 V HA 0.508 4.231 4.120 -0.662 0.000 0.282 728 V C 0.342 176.648 176.094 0.353 0.000 1.039 728 V CA -0.600 61.833 62.300 0.221 0.000 0.913 728 V CB 1.801 33.737 31.823 0.189 0.000 0.983 728 V HN 0.373 nan 8.190 nan 0.000 0.460 729 D N 3.628 124.202 120.400 0.290 0.000 2.225 729 D HA 0.676 4.919 4.640 -0.662 0.000 0.249 729 D C -0.631 175.913 176.300 0.407 0.000 1.052 729 D CA 0.107 54.245 54.000 0.229 0.000 0.909 729 D CB 1.055 41.919 40.800 0.106 0.000 1.186 729 D HN 0.342 nan 8.370 nan 0.000 0.431 730 F N -0.750 119.282 119.950 0.136 0.000 2.926 730 F HA 0.456 4.578 4.527 -0.674 0.000 0.321 730 F C -1.359 174.506 175.800 0.107 0.000 1.168 730 F CA -1.067 57.042 58.000 0.182 0.000 0.890 730 F CB 0.691 39.842 39.000 0.251 0.000 1.357 730 F HN 0.198 nan 8.300 nan 0.000 0.468 731 Q N 0.354 120.234 119.800 0.134 0.000 2.348 731 Q HA 0.739 4.682 4.340 -0.662 0.000 0.271 731 Q C -1.034 174.974 176.000 0.014 0.000 1.067 731 Q CA -0.962 54.828 55.803 -0.021 0.000 0.839 731 Q CB 2.775 31.545 28.738 0.053 0.000 1.354 731 Q HN 0.893 nan 8.270 nan 0.000 0.447 732 T N -1.609 112.923 114.554 -0.037 0.000 2.865 732 T HA 0.783 4.736 4.350 -0.662 0.000 0.294 732 T C -1.025 173.611 174.700 -0.107 0.000 1.119 732 T CA -0.902 61.191 62.100 -0.012 0.000 1.007 732 T CB 1.656 70.585 68.868 0.101 0.000 1.225 732 T HN 0.488 nan 8.240 nan 0.000 0.515 733 M N 2.191 121.707 119.600 -0.140 0.000 2.221 733 M HA 0.537 4.620 4.480 -0.662 0.000 0.259 733 M C -2.052 174.086 176.300 -0.270 0.000 1.001 733 M CA -1.028 54.036 55.300 -0.394 0.000 1.009 733 M CB 0.978 33.273 32.600 -0.509 0.000 1.939 733 M HN 0.914 nan 8.290 nan 0.000 0.477 734 W N 4.089 125.233 121.300 -0.261 0.000 2.283 734 W HA 0.732 5.116 4.660 -0.461 0.000 0.341 734 W C -1.840 174.420 176.519 -0.432 0.000 1.206 734 W CA -0.653 56.619 57.345 -0.122 0.000 1.294 734 W CB 0.221 29.651 29.460 -0.051 0.000 1.154 734 W HN 0.613 nan 8.180 nan 0.000 0.613 735 Y N 2.021 122.463 120.300 0.237 0.000 2.426 735 Y HA 0.278 4.431 4.550 -0.662 0.000 0.325 735 Y C 0.360 176.359 175.900 0.165 0.000 0.989 735 Y CA -1.250 56.901 58.100 0.087 0.000 1.284 735 Y CB 1.139 39.615 38.460 0.027 0.000 1.104 735 Y HN 0.428 nan 8.280 nan 0.000 0.481 736 T N 4.457 119.182 114.554 0.285 0.000 2.866 736 T HA -0.026 3.927 4.350 -0.662 0.000 0.293 736 T C 0.248 175.011 174.700 0.104 0.000 1.005 736 T CA 0.761 62.953 62.100 0.154 0.000 1.162 736 T CB -0.085 68.816 68.868 0.056 0.000 0.968 736 T HN 0.695 nan 8.240 nan 0.000 0.530 737 D N 0.721 121.156 120.400 0.057 0.000 3.046 737 D HA -0.126 4.117 4.640 -0.662 0.000 0.210 737 D C 0.288 176.713 176.300 0.209 0.000 1.124 737 D CA 1.175 55.154 54.000 -0.035 0.000 0.986 737 D CB -0.367 40.220 40.800 -0.355 0.000 1.118 737 D HN 0.562 nan 8.370 nan 0.000 0.416 738 E N 0.930 121.267 120.200 0.229 0.000 2.313 738 E HA 0.322 4.275 4.350 -0.662 0.000 0.272 738 E C 0.762 177.540 176.600 0.297 0.000 1.038 738 E CA -0.216 56.337 56.400 0.255 0.000 0.863 738 E CB 1.109 30.943 29.700 0.224 0.000 1.060 738 E HN 0.361 nan 8.360 nan 0.000 0.402 739 D N -0.288 120.300 120.400 0.312 0.000 2.511 739 D HA -0.006 4.236 4.640 -0.662 0.000 0.283 739 D C 1.097 177.624 176.300 0.378 0.000 1.198 739 D CA -0.178 54.032 54.000 0.349 0.000 1.097 739 D CB -0.217 40.814 40.800 0.384 0.000 1.160 739 D HN 0.396 nan 8.370 nan 0.000 0.589 740 H N -1.575 117.671 119.070 0.293 0.000 2.457 740 H HA 0.093 4.249 4.556 -0.667 0.000 0.297 740 H C 1.821 177.388 175.328 0.399 0.000 1.092 740 H CA 2.015 58.252 56.048 0.315 0.000 1.309 740 H CB -0.366 29.562 29.762 0.276 0.000 1.382 740 H HN 0.484 nan 8.280 nan 0.000 0.535 741 G N -0.605 108.346 108.800 0.252 0.000 2.986 741 G HA2 0.076 3.639 3.960 -0.662 0.000 0.213 741 G HA3 0.076 3.639 3.960 -0.662 0.000 0.213 741 G C 0.570 175.664 174.900 0.324 0.000 1.156 741 G CA 0.195 45.380 45.100 0.141 0.000 0.763 741 G HN 0.484 nan 8.290 nan 0.000 0.547 742 I N 0.118 120.883 120.570 0.325 0.000 5.115 742 I HA -0.341 3.432 4.170 -0.662 0.000 0.126 742 I C 1.684 177.922 176.117 0.202 0.000 1.316 742 I CA 0.148 61.576 61.300 0.214 0.000 2.641 742 I CB -1.192 36.888 38.000 0.133 0.000 2.272 742 I HN 0.261 nan 8.210 nan 0.000 0.321 743 A N 1.124 124.040 122.820 0.159 0.000 2.267 743 A HA 0.200 4.123 4.320 -0.662 0.000 0.213 743 A C 1.297 178.924 177.584 0.073 0.000 1.192 743 A CA 0.654 52.751 52.037 0.099 0.000 0.851 743 A CB 0.088 19.117 19.000 0.048 0.000 0.881 743 A HN 0.682 nan 8.150 nan 0.000 0.494 744 S N -0.140 115.616 115.700 0.094 0.000 2.573 744 S HA 0.034 4.107 4.470 -0.662 0.000 0.277 744 S C 0.758 175.408 174.600 0.083 0.000 1.346 744 S CA 0.367 58.615 58.200 0.081 0.000 1.034 744 S CB 0.045 63.301 63.200 0.093 0.000 0.879 744 S HN 0.521 nan 8.310 nan 0.000 0.528 745 N N 1.122 119.858 118.700 0.061 0.000 2.037 745 N HA -0.166 4.177 4.740 -0.662 0.000 0.196 745 N C 1.711 177.281 175.510 0.099 0.000 1.034 745 N CA 1.884 54.975 53.050 0.068 0.000 0.861 745 N CB -0.280 38.231 38.487 0.039 0.000 1.039 745 N HN 0.536 nan 8.380 nan 0.000 0.427 746 M N 0.410 120.057 119.600 0.078 0.000 2.254 746 M HA 0.030 4.113 4.480 -0.662 0.000 0.265 746 M C 2.245 178.599 176.300 0.091 0.000 1.066 746 M CA 0.786 56.135 55.300 0.081 0.000 1.123 746 M CB -1.274 31.366 32.600 0.065 0.000 1.388 746 M HN 0.181 nan 8.290 nan 0.000 0.425 747 A N -1.015 121.840 122.820 0.059 0.000 1.929 747 A HA -0.191 3.732 4.320 -0.662 0.000 0.216 747 A C 2.051 179.590 177.584 -0.076 0.000 1.176 747 A CA 1.935 53.940 52.037 -0.053 0.000 0.628 747 A CB -1.010 17.925 19.000 -0.108 0.000 0.816 747 A HN 0.564 nan 8.150 nan 0.000 0.444 748 H N -0.037 119.017 119.070 -0.026 0.000 2.319 748 H HA -0.146 4.012 4.556 -0.664 0.000 0.299 748 H C 2.101 177.496 175.328 0.113 0.000 1.092 748 H CA 2.386 58.474 56.048 0.066 0.000 1.302 748 H CB -0.214 29.591 29.762 0.072 0.000 1.373 748 H HN 0.564 nan 8.280 nan 0.000 0.497 749 Q N -0.956 118.843 119.800 -0.001 0.000 2.084 749 Q HA -0.195 3.748 4.340 -0.662 0.000 0.202 749 Q C 2.260 178.235 176.000 -0.043 0.000 0.978 749 Q CA 1.356 57.124 55.803 -0.058 0.000 0.844 749 Q CB -0.235 28.511 28.738 0.012 0.000 0.898 749 Q HN 0.646 nan 8.270 nan 0.000 0.426 750 H N 0.750 119.781 119.070 -0.065 0.000 2.353 750 H HA -0.100 4.062 4.556 -0.658 0.000 0.300 750 H C 2.057 177.355 175.328 -0.049 0.000 1.090 750 H CA 1.422 57.459 56.048 -0.020 0.000 1.327 750 H CB -0.047 29.761 29.762 0.077 0.000 1.383 750 H HN 0.279 nan 8.280 nan 0.000 0.508 751 I N 0.078 120.589 120.570 -0.099 0.000 2.252 751 I HA -0.323 3.450 4.170 -0.662 0.000 0.245 751 I C 1.831 177.672 176.117 -0.460 0.000 1.102 751 I CA 1.250 62.395 61.300 -0.258 0.000 1.385 751 I CB -0.267 37.386 38.000 -0.578 0.000 1.064 751 I HN 0.130 nan 8.210 nan 0.000 0.414 752 Y N 0.918 120.967 120.300 -0.418 0.000 2.242 752 Y HA -0.199 3.957 4.550 -0.657 0.000 0.291 752 Y C 2.731 178.391 175.900 -0.401 0.000 1.137 752 Y CA 1.832 59.552 58.100 -0.633 0.000 1.181 752 Y CB -0.936 37.167 38.460 -0.596 0.000 0.989 752 Y HN 0.154 nan 8.280 nan 0.000 0.527 753 T N -1.639 112.797 114.554 -0.196 0.000 2.737 753 T HA -0.225 3.728 4.350 -0.662 0.000 0.265 753 T C 1.590 176.015 174.700 -0.458 0.000 1.038 753 T CA 1.864 63.774 62.100 -0.316 0.000 1.144 753 T CB -0.458 68.224 68.868 -0.309 0.000 0.866 753 T HN 0.410 nan 8.240 nan 0.000 0.434 754 H N 0.865 119.695 119.070 -0.400 0.000 2.353 754 H HA 0.100 4.262 4.556 -0.656 0.000 0.300 754 H C 2.172 177.427 175.328 -0.122 0.000 1.090 754 H CA 1.569 57.469 56.048 -0.247 0.000 1.327 754 H CB -0.246 29.410 29.762 -0.176 0.000 1.383 754 H HN 0.250 nan 8.280 nan 0.000 0.508 755 M N -0.802 118.702 119.600 -0.161 0.000 2.175 755 M HA -0.154 3.929 4.480 -0.662 0.000 0.264 755 M C 2.378 178.788 176.300 0.184 0.000 1.063 755 M CA 1.461 56.693 55.300 -0.114 0.000 1.119 755 M CB 0.012 32.312 32.600 -0.499 0.000 1.377 755 M HN 0.216 nan 8.290 nan 0.000 0.415 756 S N -0.559 115.280 115.700 0.233 0.000 2.368 756 S HA -0.164 3.909 4.470 -0.662 0.000 0.225 756 S C 1.563 176.311 174.600 0.246 0.000 1.030 756 S CA 1.224 59.666 58.200 0.404 0.000 0.999 756 S CB -0.650 62.822 63.200 0.453 0.000 0.844 756 S HN 0.585 nan 8.310 nan 0.000 0.459 757 H N -0.854 118.272 119.070 0.092 0.000 2.389 757 H HA -0.024 4.135 4.556 -0.662 0.000 0.299 757 H C 1.978 177.293 175.328 -0.022 0.000 1.081 757 H CA 1.297 57.350 56.048 0.010 0.000 1.345 757 H CB -0.150 29.575 29.762 -0.062 0.000 1.393 757 H HN 0.386 nan 8.280 nan 0.000 0.520 758 F N 1.342 121.256 119.950 -0.059 0.000 2.134 758 F HA -0.175 3.959 4.527 -0.655 0.000 0.299 758 F C 2.022 177.758 175.800 -0.107 0.000 1.097 758 F CA 1.114 59.048 58.000 -0.111 0.000 1.264 758 F CB -0.298 38.610 39.000 -0.154 0.000 1.001 758 F HN 0.004 nan 8.300 nan 0.000 0.479 759 L N 0.223 121.453 121.223 0.013 0.000 2.056 759 L HA -0.220 3.723 4.340 -0.662 0.000 0.207 759 L C 2.513 179.172 176.870 -0.351 0.000 1.078 759 L CA 1.412 56.073 54.840 -0.299 0.000 0.749 759 L CB -0.682 41.269 42.059 -0.179 0.000 0.901 759 L HN 0.082 nan 8.230 nan 0.000 0.433 760 K N -0.291 120.068 120.400 -0.068 0.000 2.103 760 K HA -0.242 3.681 4.320 -0.662 0.000 0.207 760 K C 2.073 178.652 176.600 -0.034 0.000 1.048 760 K CA 1.188 57.490 56.287 0.025 0.000 0.930 760 K CB -0.267 32.295 32.500 0.103 0.000 0.716 760 K HN 0.325 nan 8.250 nan 0.000 0.444 761 Q N 1.467 121.195 119.800 -0.120 0.000 2.079 761 Q HA -0.176 3.766 4.340 -0.662 0.000 0.200 761 Q C 2.215 178.098 176.000 -0.196 0.000 0.974 761 Q CA 1.668 57.382 55.803 -0.149 0.000 0.840 761 Q CB -0.638 27.985 28.738 -0.190 0.000 0.898 761 Q HN 0.378 nan 8.270 nan 0.000 0.430 762 c N 0.127 118.506 118.600 -0.368 0.000 2.435 762 c HA -0.025 4.148 4.570 -0.662 0.000 0.279 762 c C 2.023 176.094 174.090 -0.032 0.000 1.321 762 c CA 0.292 56.420 56.329 -0.336 0.000 1.752 762 c CB -1.266 40.891 42.510 -0.589 0.000 1.959 762 c HN 0.496 nan 8.230 nan 0.000 0.500 763 F N 1.578 121.489 119.950 -0.065 0.000 2.727 763 F HA 0.276 4.407 4.527 -0.659 0.000 0.302 763 F C 1.588 177.369 175.800 -0.032 0.000 1.097 763 F CA 0.252 58.234 58.000 -0.030 0.000 1.330 763 F CB -1.097 37.897 39.000 -0.011 0.000 1.084 763 F HN 0.171 nan 8.300 nan 0.000 0.578 764 S N 1.090 116.865 115.700 0.125 0.000 3.706 764 S HA -0.194 3.879 4.470 -0.662 0.000 0.363 764 S C -0.087 174.551 174.600 0.063 0.000 0.999 764 S CA 0.096 58.332 58.200 0.059 0.000 1.143 764 S CB -2.016 61.209 63.200 0.041 0.000 0.902 764 S HN 0.228 nan 8.310 nan 0.000 0.476 765 L N 2.052 123.325 121.223 0.084 0.000 2.295 765 L HA 0.485 4.428 4.340 -0.662 0.000 0.285 765 L C -0.947 175.953 176.870 0.050 0.000 1.035 765 L CA -2.002 52.883 54.840 0.075 0.000 0.806 765 L CB 0.755 42.886 42.059 0.120 0.000 1.214 765 L HN 0.110 nan 8.230 nan 0.000 0.426 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.116 63.100 0.026 0.000 0.800 766 P CB 0.000 31.710 31.700 0.017 0.000 0.726