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 1rwq_1_A DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.643 174.600 0.072 0.000 1.055 39 S CA 0.000 58.246 58.200 0.077 0.000 1.107 39 S CB 0.000 63.230 63.200 0.050 0.000 0.593 40 R N 2.316 122.867 120.500 0.085 0.000 2.596 40 R HA -0.259 4.080 4.340 -0.001 0.000 0.204 40 R C 0.543 176.887 176.300 0.074 0.000 0.897 40 R CA 2.495 58.642 56.100 0.078 0.000 1.038 40 R CB -1.385 28.954 30.300 0.066 0.000 0.574 40 R HN 0.683 nan 8.270 nan 0.000 0.452 41 K N 1.799 122.244 120.400 0.075 0.000 2.270 41 K HA 0.161 4.481 4.320 -0.001 0.000 0.276 41 K C -0.210 176.442 176.600 0.087 0.000 1.023 41 K CA 0.255 56.592 56.287 0.083 0.000 0.955 41 K CB 0.952 33.510 32.500 0.097 0.000 0.975 41 K HN 0.275 nan 8.250 nan 0.000 0.471 42 T N 2.093 116.704 114.554 0.094 0.000 2.874 42 T HA 0.116 4.466 4.350 -0.001 0.000 0.281 42 T C -1.239 173.563 174.700 0.171 0.000 0.994 42 T CA -0.426 61.739 62.100 0.108 0.000 1.015 42 T CB 0.173 69.099 68.868 0.097 0.000 1.028 42 T HN 0.465 nan 8.240 nan 0.000 0.523 43 Y N 2.437 122.773 120.300 0.061 0.000 2.404 43 Y HA 0.392 4.941 4.550 -0.001 0.000 0.344 43 Y C 0.348 176.369 175.900 0.203 0.000 0.995 43 Y CA -0.170 57.992 58.100 0.104 0.000 1.201 43 Y CB 0.261 38.740 38.460 0.032 0.000 1.151 43 Y HN 0.503 nan 8.280 nan 0.000 0.517 44 T N 7.193 121.642 114.554 -0.176 0.000 2.943 44 T HA 0.103 4.453 4.350 -0.001 0.000 0.284 44 T C 1.026 175.561 174.700 -0.275 0.000 1.015 44 T CA -0.669 61.387 62.100 -0.073 0.000 1.042 44 T CB 1.410 70.260 68.868 -0.031 0.000 1.055 44 T HN 0.770 nan 8.240 nan 0.000 0.500 45 L N 2.768 123.716 121.223 -0.458 0.000 2.089 45 L HA -0.134 4.205 4.340 -0.001 0.000 0.213 45 L C 2.285 178.991 176.870 -0.274 0.000 1.079 45 L CA 2.135 56.564 54.840 -0.684 0.000 0.758 45 L CB -1.168 40.351 42.059 -0.900 0.000 0.891 45 L HN 0.773 nan 8.230 nan 0.000 0.433 46 T N -1.101 113.325 114.554 -0.213 0.000 2.951 46 T HA -0.093 4.257 4.350 -0.001 0.000 0.268 46 T C 1.445 176.065 174.700 -0.133 0.000 1.073 46 T CA 1.130 63.145 62.100 -0.141 0.000 1.134 46 T CB -0.276 68.534 68.868 -0.096 0.000 0.884 46 T HN 0.396 nan 8.240 nan 0.000 0.479 47 D N 0.206 120.494 120.400 -0.187 0.000 2.183 47 D HA -0.048 4.591 4.640 -0.001 0.000 0.203 47 D C 1.681 177.947 176.300 -0.057 0.000 0.969 47 D CA 0.804 54.706 54.000 -0.164 0.000 0.842 47 D CB -0.156 40.482 40.800 -0.271 0.000 0.957 47 D HN 0.393 nan 8.370 nan 0.000 0.484 48 Y N 1.575 121.728 120.300 -0.244 0.000 2.114 48 Y HA -0.132 4.417 4.550 -0.001 0.000 0.284 48 Y C 2.000 177.920 175.900 0.032 0.000 1.119 48 Y CA 0.866 58.978 58.100 0.020 0.000 1.108 48 Y CB -0.736 37.760 38.460 0.059 0.000 0.995 48 Y HN -0.198 nan 8.280 nan 0.000 0.491 49 L N 0.942 121.949 121.223 -0.360 0.000 2.081 49 L HA -0.209 4.130 4.340 -0.001 0.000 0.212 49 L C 2.085 178.834 176.870 -0.202 0.000 1.080 49 L CA 1.799 56.401 54.840 -0.397 0.000 0.754 49 L CB -1.092 40.831 42.059 -0.227 0.000 0.893 49 L HN 0.215 nan 8.230 nan 0.000 0.433 50 K N -0.576 119.750 120.400 -0.124 0.000 2.393 50 K HA 0.103 4.422 4.320 -0.001 0.000 0.193 50 K C 0.167 176.737 176.600 -0.051 0.000 1.026 50 K CA -0.076 56.164 56.287 -0.078 0.000 1.064 50 K CB -0.090 32.369 32.500 -0.069 0.000 0.833 50 K HN 0.286 nan 8.250 nan 0.000 0.521 51 N N 1.001 119.691 118.700 -0.016 0.000 2.780 51 N HA -0.133 4.607 4.740 -0.001 0.000 0.247 51 N C 0.391 175.911 175.510 0.016 0.000 1.076 51 N CA 0.936 54.013 53.050 0.044 0.000 0.688 51 N CB -1.689 36.810 38.487 0.020 0.000 0.957 51 N HN 0.130 nan 8.380 nan 0.000 0.551 52 T N -1.233 113.304 114.554 -0.029 0.000 2.684 52 T HA -0.170 4.179 4.350 -0.001 0.000 0.267 52 T C 0.579 175.076 174.700 -0.338 0.000 1.036 52 T CA 1.417 63.364 62.100 -0.254 0.000 1.148 52 T CB -0.119 68.477 68.868 -0.454 0.000 0.863 52 T HN 0.392 nan 8.240 nan 0.000 0.436 53 Y N 1.930 122.329 120.300 0.165 0.000 2.491 53 Y HA 0.468 5.017 4.550 -0.001 0.000 0.334 53 Y C 0.400 176.396 175.900 0.161 0.000 0.969 53 Y CA -1.047 57.157 58.100 0.173 0.000 1.241 53 Y CB 0.402 39.001 38.460 0.231 0.000 1.105 53 Y HN -0.110 nan 8.280 nan 0.000 0.503 54 R N 3.097 123.723 120.500 0.210 0.000 2.428 54 R HA 0.560 4.899 4.340 -0.001 0.000 0.294 54 R C -0.928 175.477 176.300 0.174 0.000 1.000 54 R CA -0.934 55.268 56.100 0.169 0.000 0.960 54 R CB 1.441 31.803 30.300 0.103 0.000 1.076 54 R HN 0.567 nan 8.270 nan 0.000 0.475 55 L N 3.431 124.759 121.223 0.175 0.000 2.380 55 L HA 0.224 4.563 4.340 -0.001 0.000 0.273 55 L C 0.497 177.456 176.870 0.148 0.000 1.138 55 L CA -0.182 54.764 54.840 0.178 0.000 0.832 55 L CB 0.403 42.581 42.059 0.199 0.000 1.124 55 L HN 0.362 nan 8.230 nan 0.000 0.454 56 K N 4.371 124.859 120.400 0.146 0.000 2.126 56 K HA 0.640 4.960 4.320 -0.001 0.000 0.257 56 K C -0.626 176.057 176.600 0.138 0.000 1.007 56 K CA -0.550 55.806 56.287 0.114 0.000 0.928 56 K CB 1.323 33.880 32.500 0.096 0.000 1.013 56 K HN 0.424 nan 8.250 nan 0.000 0.473 57 L N 0.606 121.832 121.223 0.005 0.000 2.250 57 L HA 0.462 4.801 4.340 -0.001 0.000 0.252 57 L C -1.223 175.391 176.870 -0.427 0.000 1.054 57 L CA -1.164 53.566 54.840 -0.183 0.000 0.856 57 L CB 1.368 43.433 42.059 0.010 0.000 1.443 57 L HN 0.579 nan 8.230 nan 0.000 0.427 58 Y N 0.282 120.056 120.300 -0.876 0.000 2.484 58 Y HA 0.310 4.859 4.550 -0.001 0.000 0.348 58 Y C -0.807 174.913 175.900 -0.300 0.000 1.103 58 Y CA -0.484 57.272 58.100 -0.574 0.000 1.317 58 Y CB 1.344 39.287 38.460 -0.862 0.000 1.096 58 Y HN 0.387 nan 8.280 nan 0.000 0.568 59 S N 6.506 122.084 115.700 -0.203 0.000 2.409 59 S HA 0.435 4.904 4.470 -0.001 0.000 0.308 59 S C -0.224 174.281 174.600 -0.158 0.000 1.080 59 S CA -0.665 57.466 58.200 -0.115 0.000 1.081 59 S CB -0.182 62.983 63.200 -0.058 0.000 1.009 59 S HN 0.587 nan 8.310 nan 0.000 0.502 60 L N 1.414 122.481 121.223 -0.260 0.000 2.365 60 L HA 0.723 5.062 4.340 -0.001 0.000 0.267 60 L C -0.427 176.315 176.870 -0.213 0.000 1.033 60 L CA -0.957 53.676 54.840 -0.345 0.000 0.802 60 L CB 0.854 42.383 42.059 -0.883 0.000 1.267 60 L HN 0.404 nan 8.230 nan 0.000 0.457 61 R N 1.052 121.475 120.500 -0.128 0.000 2.412 61 R HA 0.345 4.684 4.340 -0.001 0.000 0.304 61 R C -1.448 174.880 176.300 0.046 0.000 1.066 61 R CA -0.395 55.707 56.100 0.004 0.000 0.923 61 R CB 1.061 31.426 30.300 0.108 0.000 1.156 61 R HN 0.624 nan 8.270 nan 0.000 0.513 62 W N 4.065 125.467 121.300 0.170 0.000 2.257 62 W HA 0.035 4.695 4.660 -0.001 0.000 0.337 62 W C 1.632 178.235 176.519 0.140 0.000 1.321 62 W CA -0.245 57.214 57.345 0.191 0.000 1.267 62 W CB 0.439 30.014 29.460 0.191 0.000 1.187 62 W HN 0.630 nan 8.180 nan 0.000 0.565 63 I N -0.426 120.357 120.570 0.355 0.000 4.327 63 I HA 0.321 4.490 4.170 -0.001 0.000 0.331 63 I C 0.369 176.590 176.117 0.173 0.000 1.348 63 I CA -0.186 61.227 61.300 0.189 0.000 1.152 63 I CB -0.106 37.926 38.000 0.053 0.000 1.151 63 I HN 0.279 nan 8.210 nan 0.000 0.410 64 S N 0.654 116.503 115.700 0.247 0.000 2.800 64 S HA 0.236 4.705 4.470 -0.001 0.000 0.293 64 S C 0.018 174.798 174.600 0.300 0.000 1.209 64 S CA 0.033 58.373 58.200 0.234 0.000 0.884 64 S CB 0.933 64.263 63.200 0.216 0.000 1.244 64 S HN 0.260 nan 8.310 nan 0.000 0.540 65 D N 0.353 120.941 120.400 0.315 0.000 2.363 65 D HA -0.066 4.573 4.640 -0.001 0.000 0.220 65 D C 0.851 177.436 176.300 0.476 0.000 0.994 65 D CA 1.029 55.182 54.000 0.255 0.000 0.890 65 D CB -0.521 40.389 40.800 0.183 0.000 0.906 65 D HN 0.825 nan 8.370 nan 0.000 0.530 66 H N -1.496 117.777 119.070 0.339 0.000 2.904 66 H HA 0.505 5.060 4.556 -0.001 0.000 0.242 66 H C -0.830 174.682 175.328 0.308 0.000 1.193 66 H CA -0.563 55.719 56.048 0.390 0.000 0.946 66 H CB -0.417 29.561 29.762 0.359 0.000 2.135 66 H HN 0.029 nan 8.280 nan 0.000 0.652 67 E N 0.974 121.324 120.200 0.250 0.000 2.363 67 E HA 0.341 4.690 4.350 -0.001 0.000 0.281 67 E C -1.658 175.080 176.600 0.231 0.000 0.953 67 E CA -1.010 55.416 56.400 0.042 0.000 0.778 67 E CB 2.905 32.488 29.700 -0.195 0.000 1.220 67 E HN 0.287 nan 8.360 nan 0.000 0.431 68 Y N -0.349 119.941 120.300 -0.016 0.000 2.581 68 Y HA 0.703 5.252 4.550 -0.001 0.000 0.345 68 Y C -1.399 174.461 175.900 -0.068 0.000 1.036 68 Y CA -1.265 56.738 58.100 -0.162 0.000 1.042 68 Y CB 0.950 39.048 38.460 -0.603 0.000 1.289 68 Y HN 0.351 nan 8.280 nan 0.000 0.471 69 L N 2.531 123.854 121.223 0.167 0.000 2.344 69 L HA 0.525 4.864 4.340 -0.001 0.000 0.272 69 L C -1.413 175.596 176.870 0.232 0.000 1.035 69 L CA -1.074 53.850 54.840 0.141 0.000 0.807 69 L CB 1.809 43.910 42.059 0.069 0.000 1.237 69 L HN 0.805 nan 8.230 nan 0.000 0.442 70 Y N 2.402 122.726 120.300 0.041 0.000 2.399 70 Y HA 0.290 4.839 4.550 -0.001 0.000 0.327 70 Y C -1.079 174.808 175.900 -0.022 0.000 1.111 70 Y CA -1.477 56.558 58.100 -0.109 0.000 1.047 70 Y CB 1.359 39.623 38.460 -0.327 0.000 1.259 70 Y HN 0.501 nan 8.280 nan 0.000 0.434 71 K N 4.778 124.905 120.400 -0.456 0.000 2.211 71 K HA 0.547 4.867 4.320 -0.001 0.000 0.275 71 K C -1.155 175.071 176.600 -0.624 0.000 1.024 71 K CA -0.843 55.234 56.287 -0.351 0.000 0.887 71 K CB 2.062 34.481 32.500 -0.135 0.000 1.084 71 K HN 0.690 nan 8.250 nan 0.000 0.463 72 Q N 2.953 122.541 119.800 -0.352 0.000 2.320 72 Q HA 0.142 4.481 4.340 -0.001 0.000 0.268 72 Q C -1.006 174.923 176.000 -0.117 0.000 1.023 72 Q CA -0.088 55.559 55.803 -0.260 0.000 0.744 72 Q CB 1.111 29.809 28.738 -0.067 0.000 1.246 72 Q HN 0.951 nan 8.270 nan 0.000 0.462 73 E N 2.055 122.192 120.200 -0.105 0.000 3.043 73 E HA -0.323 4.026 4.350 -0.001 0.000 0.368 73 E C -0.484 176.074 176.600 -0.071 0.000 1.459 73 E CA 1.887 58.249 56.400 -0.063 0.000 1.337 73 E CB -0.862 28.816 29.700 -0.037 0.000 1.696 73 E HN 0.727 nan 8.360 nan 0.000 0.520 74 N N 0.688 119.356 118.700 -0.053 0.000 2.238 74 N HA 0.232 4.971 4.740 -0.001 0.000 0.235 74 N C -1.170 174.309 175.510 -0.053 0.000 1.209 74 N CA -0.104 52.918 53.050 -0.047 0.000 0.879 74 N CB 0.509 38.980 38.487 -0.027 0.000 1.136 74 N HN 0.117 nan 8.380 nan 0.000 0.517 75 N N 0.777 119.442 118.700 -0.059 0.000 2.498 75 N HA 0.312 5.051 4.740 -0.001 0.000 0.287 75 N C -0.529 174.948 175.510 -0.054 0.000 1.097 75 N CA -0.130 52.889 53.050 -0.052 0.000 0.973 75 N CB 1.558 40.028 38.487 -0.028 0.000 1.153 75 N HN 0.063 nan 8.380 nan 0.000 0.472 76 I N 3.284 123.831 120.570 -0.037 0.000 2.304 76 I HA 0.240 4.409 4.170 -0.001 0.000 0.291 76 I C 0.107 176.303 176.117 0.132 0.000 1.018 76 I CA -0.425 60.880 61.300 0.009 0.000 1.260 76 I CB 0.841 38.828 38.000 -0.022 0.000 1.390 76 I HN 0.197 nan 8.210 nan 0.000 0.475 77 L N 6.823 128.159 121.223 0.187 0.000 2.322 77 L HA 0.520 4.859 4.340 -0.001 0.000 0.279 77 L C -0.234 176.811 176.870 0.291 0.000 1.036 77 L CA -0.788 54.213 54.840 0.269 0.000 0.807 77 L CB 2.156 44.507 42.059 0.487 0.000 1.226 77 L HN 0.319 nan 8.230 nan 0.000 0.433 78 V N 3.423 123.425 119.914 0.146 0.000 2.398 78 V HA 0.476 4.596 4.120 -0.001 0.000 0.286 78 V C -0.757 175.286 176.094 -0.084 0.000 1.026 78 V CA -0.206 62.125 62.300 0.053 0.000 0.868 78 V CB 1.329 33.110 31.823 -0.069 0.000 0.982 78 V HN 0.420 nan 8.190 nan 0.000 0.443 79 F N 5.249 124.952 119.950 -0.411 0.000 2.470 79 F HA 0.544 5.070 4.527 -0.001 0.000 0.329 79 F C 0.386 175.854 175.800 -0.553 0.000 1.072 79 F CA -0.731 56.905 58.000 -0.607 0.000 0.989 79 F CB 1.621 39.837 39.000 -1.307 0.000 1.193 79 F HN 0.534 nan 8.300 nan 0.000 0.481 80 N N 1.154 119.721 118.700 -0.221 0.000 2.392 80 N HA 0.411 5.150 4.740 -0.001 0.000 0.283 80 N C -0.008 175.439 175.510 -0.106 0.000 1.003 80 N CA -0.091 52.888 53.050 -0.119 0.000 0.892 80 N CB 2.015 40.506 38.487 0.006 0.000 1.193 80 N HN 0.703 nan 8.380 nan 0.000 0.487 81 A N 3.137 125.868 122.820 -0.148 0.000 1.975 81 A HA -0.060 4.260 4.320 -0.001 0.000 0.215 81 A C 1.705 179.017 177.584 -0.452 0.000 1.170 81 A CA 1.063 52.936 52.037 -0.273 0.000 0.656 81 A CB -0.313 18.446 19.000 -0.400 0.000 0.821 81 A HN 0.766 nan 8.150 nan 0.000 0.449 82 E N -1.493 118.412 120.200 -0.492 0.000 2.216 82 E HA -0.094 4.255 4.350 -0.001 0.000 0.192 82 E C 0.971 177.241 176.600 -0.551 0.000 0.988 82 E CA 1.336 57.442 56.400 -0.491 0.000 0.834 82 E CB -0.226 29.211 29.700 -0.438 0.000 0.772 82 E HN 0.688 nan 8.360 nan 0.000 0.479 83 Y N -2.222 118.057 120.300 -0.035 0.000 2.452 83 Y HA 0.377 4.926 4.550 -0.001 0.000 0.262 83 Y C 1.687 177.564 175.900 -0.039 0.000 1.089 83 Y CA 0.278 58.364 58.100 -0.023 0.000 1.262 83 Y CB 1.042 39.493 38.460 -0.014 0.000 1.236 83 Y HN 0.117 nan 8.280 nan 0.000 0.512 84 G N 0.858 109.704 108.800 0.076 0.000 2.199 84 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.254 84 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.254 84 G C 0.295 175.174 174.900 -0.035 0.000 0.982 84 G CA 0.229 45.353 45.100 0.040 0.000 0.632 84 G HN 0.443 nan 8.290 nan 0.000 0.529 85 N N 0.953 119.632 118.700 -0.036 0.000 2.297 85 N HA 0.477 5.217 4.740 -0.001 0.000 0.232 85 N C 0.058 175.382 175.510 -0.309 0.000 1.311 85 N CA 1.056 54.023 53.050 -0.137 0.000 0.897 85 N CB 0.917 39.346 38.487 -0.098 0.000 1.137 85 N HN 1.202 nan 8.380 nan 0.000 0.449 86 S N -2.333 113.132 115.700 -0.392 0.000 2.567 86 S HA 0.742 5.211 4.470 -0.001 0.000 0.270 86 S C -1.268 173.109 174.600 -0.371 0.000 1.152 86 S CA -0.898 56.917 58.200 -0.641 0.000 0.835 86 S CB 1.218 63.625 63.200 -1.322 0.000 1.115 86 S HN 0.942 nan 8.310 nan 0.000 0.459 87 S N -0.355 115.170 115.700 -0.292 0.000 2.636 87 S HA 0.652 5.121 4.470 -0.001 0.000 0.268 87 S C -1.116 173.459 174.600 -0.041 0.000 1.159 87 S CA -0.738 57.381 58.200 -0.135 0.000 0.815 87 S CB 0.999 64.145 63.200 -0.089 0.000 1.130 87 S HN 1.778 nan 8.310 nan 0.000 0.471 88 V N 2.523 122.431 119.914 -0.011 0.000 2.427 88 V HA 0.426 4.546 4.120 -0.001 0.000 0.268 88 V C 0.507 176.645 176.094 0.074 0.000 1.046 88 V CA -0.228 62.089 62.300 0.029 0.000 0.970 88 V CB 0.150 31.965 31.823 -0.014 0.000 1.001 88 V HN 0.850 nan 8.190 nan 0.000 0.476 89 F N 6.650 126.572 119.950 -0.045 0.000 2.118 89 F HA 0.329 4.855 4.527 -0.001 0.000 0.293 89 F C 0.493 176.261 175.800 -0.053 0.000 1.102 89 F CA 1.107 59.080 58.000 -0.045 0.000 1.247 89 F CB 0.283 39.261 39.000 -0.036 0.000 1.017 89 F HN 0.406 nan 8.300 nan 0.000 0.475 90 L N 0.752 121.872 121.223 -0.171 0.000 2.408 90 L HA 0.340 4.679 4.340 -0.001 0.000 0.268 90 L C -0.850 175.924 176.870 -0.160 0.000 0.986 90 L CA -0.761 53.913 54.840 -0.276 0.000 0.820 90 L CB 1.941 43.848 42.059 -0.254 0.000 1.303 90 L HN -0.107 nan 8.230 nan 0.000 0.411 91 E N 1.643 121.728 120.200 -0.193 0.000 2.331 91 E HA 0.028 4.377 4.350 -0.001 0.000 0.272 91 E C 0.543 177.059 176.600 -0.141 0.000 1.036 91 E CA -0.294 56.016 56.400 -0.150 0.000 0.864 91 E CB 0.896 30.501 29.700 -0.158 0.000 1.035 91 E HN 0.637 nan 8.360 nan 0.000 0.408 92 N N 1.244 119.889 118.700 -0.092 0.000 2.334 92 N HA -0.228 4.511 4.740 -0.001 0.000 0.187 92 N C 1.216 176.682 175.510 -0.073 0.000 1.016 92 N CA 1.638 54.649 53.050 -0.066 0.000 0.879 92 N CB -0.289 38.169 38.487 -0.048 0.000 0.965 92 N HN 0.326 nan 8.380 nan 0.000 0.438 93 S N -2.057 113.575 115.700 -0.113 0.000 2.503 93 S HA 0.070 4.539 4.470 -0.001 0.000 0.217 93 S C 1.600 176.074 174.600 -0.210 0.000 0.999 93 S CA 0.273 58.400 58.200 -0.121 0.000 0.914 93 S CB -0.724 62.411 63.200 -0.108 0.000 0.782 93 S HN 0.207 nan 8.310 nan 0.000 0.520 94 T N 1.892 116.228 114.554 -0.364 0.000 2.760 94 T HA -0.044 4.305 4.350 -0.001 0.000 0.269 94 T C 0.265 174.452 174.700 -0.855 0.000 1.047 94 T CA 1.401 63.085 62.100 -0.692 0.000 1.139 94 T CB -0.494 67.745 68.868 -1.048 0.000 0.855 94 T HN 0.588 nan 8.240 nan 0.000 0.471 95 F N 0.803 120.638 119.950 -0.193 0.000 2.750 95 F HA 0.335 4.861 4.527 -0.001 0.000 0.297 95 F C 1.236 177.007 175.800 -0.049 0.000 1.138 95 F CA -1.102 56.801 58.000 -0.161 0.000 1.346 95 F CB -0.115 38.705 39.000 -0.299 0.000 0.965 95 F HN -0.071 nan 8.300 nan 0.000 0.514 96 D N 0.950 121.369 120.400 0.031 0.000 2.133 96 D HA -0.197 4.442 4.640 -0.001 0.000 0.192 96 D C 1.123 177.456 176.300 0.054 0.000 1.001 96 D CA 1.511 55.528 54.000 0.029 0.000 0.844 96 D CB 0.019 40.808 40.800 -0.017 0.000 0.944 96 D HN 0.398 nan 8.370 nan 0.000 0.447 97 E N -0.649 119.586 120.200 0.058 0.000 2.354 97 E HA 0.033 4.382 4.350 -0.001 0.000 0.252 97 E C 0.442 177.095 176.600 0.089 0.000 1.330 97 E CA -0.354 56.070 56.400 0.041 0.000 1.658 97 E CB 0.003 29.710 29.700 0.013 0.000 1.460 97 E HN 0.219 nan 8.360 nan 0.000 0.435 98 F N 0.478 120.403 119.950 -0.043 0.000 2.262 98 F HA 0.154 4.680 4.527 -0.001 0.000 0.292 98 F C 1.777 177.434 175.800 -0.237 0.000 1.081 98 F CA 1.662 59.611 58.000 -0.085 0.000 1.355 98 F CB 0.377 39.336 39.000 -0.069 0.000 1.069 98 F HN 0.286 nan 8.300 nan 0.000 0.506 99 G N -0.544 108.126 108.800 -0.217 0.000 2.213 99 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.236 99 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.236 99 G C -0.031 174.548 174.900 -0.534 0.000 0.991 99 G CA 0.233 45.068 45.100 -0.442 0.000 0.629 99 G HN 0.589 nan 8.290 nan 0.000 0.517 100 H N 0.239 119.211 119.070 -0.163 0.000 2.524 100 H HA 0.666 5.221 4.556 -0.001 0.000 0.353 100 H C 0.225 175.625 175.328 0.120 0.000 1.136 100 H CA 0.015 56.022 56.048 -0.070 0.000 1.193 100 H CB 1.813 31.328 29.762 -0.412 0.000 1.558 100 H HN 0.257 nan 8.280 nan 0.000 0.515 101 S N 2.919 118.743 115.700 0.208 0.000 2.528 101 S HA 0.214 4.683 4.470 -0.001 0.000 0.277 101 S C 0.010 174.686 174.600 0.128 0.000 1.297 101 S CA -0.700 57.578 58.200 0.131 0.000 1.052 101 S CB -0.053 63.202 63.200 0.092 0.000 0.917 101 S HN 0.483 nan 8.310 nan 0.000 0.492 102 I N 5.703 126.299 120.570 0.044 0.000 2.312 102 I HA 0.182 4.352 4.170 -0.001 0.000 0.291 102 I C 1.552 177.661 176.117 -0.013 0.000 1.031 102 I CA -0.418 60.879 61.300 -0.006 0.000 1.293 102 I CB 0.900 38.823 38.000 -0.128 0.000 1.403 102 I HN 0.805 nan 8.210 nan 0.000 0.484 103 N N 3.932 122.622 118.700 -0.016 0.000 2.376 103 N HA -0.051 4.688 4.740 -0.001 0.000 0.177 103 N C 0.110 175.562 175.510 -0.096 0.000 1.024 103 N CA 0.997 53.991 53.050 -0.093 0.000 0.893 103 N CB 0.529 38.915 38.487 -0.168 0.000 0.980 103 N HN 0.681 nan 8.380 nan 0.000 0.439 104 D N -1.991 118.383 120.400 -0.044 0.000 2.804 104 D HA 0.127 4.766 4.640 -0.001 0.000 0.309 104 D C -1.767 174.561 176.300 0.047 0.000 1.311 104 D CA -0.404 53.568 54.000 -0.046 0.000 0.765 104 D CB 0.453 41.175 40.800 -0.131 0.000 1.293 104 D HN 0.049 nan 8.370 nan 0.000 0.434 105 Y N -1.281 119.047 120.300 0.047 0.000 2.571 105 Y HA 0.741 5.290 4.550 -0.001 0.000 0.341 105 Y C -1.382 174.613 175.900 0.159 0.000 1.076 105 Y CA -0.890 57.263 58.100 0.088 0.000 1.029 105 Y CB 1.597 40.099 38.460 0.070 0.000 1.308 105 Y HN 0.152 nan 8.280 nan 0.000 0.461 106 S N 3.048 118.986 115.700 0.397 0.000 2.557 106 S HA 0.739 5.208 4.470 -0.001 0.000 0.291 106 S C -1.171 173.849 174.600 0.700 0.000 1.116 106 S CA -0.731 57.733 58.200 0.439 0.000 0.992 106 S CB 0.484 63.875 63.200 0.318 0.000 1.028 106 S HN 0.650 nan 8.310 nan 0.000 0.484 107 I N 3.830 124.733 120.570 0.555 0.000 2.385 107 I HA 0.347 4.516 4.170 -0.001 0.000 0.294 107 I C 0.795 176.889 176.117 -0.039 0.000 0.988 107 I CA -0.764 60.747 61.300 0.352 0.000 1.265 107 I CB 1.773 39.938 38.000 0.275 0.000 1.388 107 I HN 0.686 nan 8.210 nan 0.000 0.480 108 S N 5.059 120.466 115.700 -0.489 0.000 2.579 108 S HA 0.186 4.655 4.470 -0.001 0.000 0.275 108 S C -1.931 172.405 174.600 -0.441 0.000 1.345 108 S CA -0.873 56.636 58.200 -1.152 0.000 1.031 108 S CB 0.736 63.271 63.200 -1.109 0.000 0.892 108 S HN 0.464 nan 8.310 nan 0.000 0.529 109 P HA 0.013 nan 4.420 nan 0.000 0.229 109 P C 0.399 177.642 177.300 -0.096 0.000 1.160 109 P CA 0.850 63.861 63.100 -0.149 0.000 0.777 109 P CB -0.140 31.492 31.700 -0.114 0.000 0.814 110 D N -1.804 118.539 120.400 -0.095 0.000 2.339 110 D HA 0.129 4.768 4.640 -0.001 0.000 0.217 110 D C 1.346 177.637 176.300 -0.016 0.000 1.050 110 D CA 0.328 54.312 54.000 -0.026 0.000 0.856 110 D CB -1.110 39.706 40.800 0.027 0.000 0.922 110 D HN 0.119 nan 8.370 nan 0.000 0.518 111 G N 0.497 109.274 108.800 -0.038 0.000 2.198 111 G HA2 -0.376 3.583 3.960 -0.001 0.000 0.260 111 G HA3 -0.376 3.583 3.960 -0.001 0.000 0.260 111 G C 0.777 175.689 174.900 0.020 0.000 1.025 111 G CA 0.574 45.695 45.100 0.035 0.000 0.769 111 G HN 0.447 nan 8.290 nan 0.000 0.507 112 Q N -1.843 117.906 119.800 -0.086 0.000 2.349 112 Q HA 0.374 4.713 4.340 -0.001 0.000 0.209 112 Q C 0.425 176.002 176.000 -0.704 0.000 0.920 112 Q CA 0.692 56.255 55.803 -0.400 0.000 0.901 112 Q CB 0.507 28.988 28.738 -0.428 0.000 1.021 112 Q HN 0.585 nan 8.270 nan 0.000 0.519 113 F N -0.479 119.444 119.950 -0.044 0.000 2.620 113 F HA 0.538 5.065 4.527 -0.001 0.000 0.320 113 F C -0.537 175.405 175.800 0.236 0.000 1.069 113 F CA -1.214 56.836 58.000 0.084 0.000 0.953 113 F CB 1.834 40.917 39.000 0.139 0.000 1.322 113 F HN -0.205 nan 8.300 nan 0.000 0.479 114 I N 2.253 123.166 120.570 0.573 0.000 2.582 114 I HA 0.444 4.613 4.170 -0.001 0.000 0.292 114 I C -1.704 174.739 176.117 0.544 0.000 1.066 114 I CA -0.708 60.934 61.300 0.570 0.000 1.053 114 I CB 1.675 39.941 38.000 0.445 0.000 1.241 114 I HN 0.480 nan 8.210 nan 0.000 0.421 115 L N 7.604 129.156 121.223 0.547 0.000 2.319 115 L HA 0.387 4.726 4.340 -0.001 0.000 0.280 115 L C -0.771 176.243 176.870 0.240 0.000 1.099 115 L CA -0.556 54.460 54.840 0.294 0.000 0.828 115 L CB 1.101 43.209 42.059 0.081 0.000 1.150 115 L HN 0.522 nan 8.230 nan 0.000 0.442 116 L N 4.822 126.140 121.223 0.159 0.000 2.276 116 L HA 0.383 4.722 4.340 -0.001 0.000 0.286 116 L C -0.025 176.901 176.870 0.094 0.000 1.024 116 L CA -0.290 54.557 54.840 0.012 0.000 0.826 116 L CB 1.487 43.355 42.059 -0.318 0.000 1.211 116 L HN 0.600 nan 8.230 nan 0.000 0.422 117 E N 4.616 124.826 120.200 0.018 0.000 2.081 117 E HA 0.374 4.723 4.350 -0.001 0.000 0.276 117 E C -1.520 175.026 176.600 -0.091 0.000 0.950 117 E CA -0.530 55.721 56.400 -0.248 0.000 0.776 117 E CB 0.827 30.480 29.700 -0.080 0.000 1.094 117 E HN 0.445 nan 8.360 nan 0.000 0.402 118 Y N 1.798 121.940 120.300 -0.263 0.000 2.669 118 Y HA 0.496 5.045 4.550 -0.001 0.000 0.335 118 Y C -0.137 175.701 175.900 -0.103 0.000 1.116 118 Y CA -1.710 56.327 58.100 -0.104 0.000 1.081 118 Y CB 0.660 39.132 38.460 0.020 0.000 1.297 118 Y HN 0.441 nan 8.280 nan 0.000 0.484 119 N N -0.216 118.506 118.700 0.036 0.000 2.758 119 N HA -0.279 4.460 4.740 -0.001 0.000 0.248 119 N C -1.212 174.275 175.510 -0.039 0.000 1.076 119 N CA 0.854 53.873 53.050 -0.051 0.000 0.696 119 N CB -1.722 36.629 38.487 -0.227 0.000 0.979 119 N HN 0.876 nan 8.380 nan 0.000 0.550 120 Y N -0.232 120.008 120.300 -0.099 0.000 2.346 120 Y HA 0.455 5.004 4.550 -0.001 0.000 0.330 120 Y C -0.055 175.824 175.900 -0.035 0.000 1.178 120 Y CA -0.280 57.777 58.100 -0.071 0.000 1.331 120 Y CB 0.948 39.330 38.460 -0.129 0.000 1.253 120 Y HN -0.025 nan 8.280 nan 0.000 0.529 121 V N 7.279 126.800 119.914 -0.655 0.000 2.567 121 V HA 0.220 4.339 4.120 -0.001 0.000 0.298 121 V C -0.612 175.081 176.094 -0.668 0.000 1.047 121 V CA -1.358 60.648 62.300 -0.490 0.000 0.880 121 V CB 1.542 33.226 31.823 -0.231 0.000 1.009 121 V HN 0.804 nan 8.190 nan 0.000 0.429 122 K N 3.856 123.921 120.400 -0.558 0.000 2.326 122 K HA 0.353 4.672 4.320 -0.001 0.000 0.275 122 K C 0.368 176.788 176.600 -0.301 0.000 1.018 122 K CA 0.121 56.196 56.287 -0.354 0.000 0.962 122 K CB 1.397 33.861 32.500 -0.059 0.000 0.953 122 K HN 0.787 nan 8.250 nan 0.000 0.475 123 Q N 2.930 122.542 119.800 -0.313 0.000 3.068 123 Q HA 0.237 4.576 4.340 -0.001 0.000 0.219 123 Q C -0.285 175.440 176.000 -0.459 0.000 1.163 123 Q CA -0.481 54.948 55.803 -0.624 0.000 0.316 123 Q CB 0.140 28.414 28.738 -0.774 0.000 5.753 123 Q HN 0.714 nan 8.270 nan 0.000 0.323 124 W N 0.139 121.441 121.300 0.003 0.000 1.945 124 W HA 0.410 5.069 4.660 -0.001 0.000 0.606 124 W C 1.760 178.262 176.519 -0.029 0.000 1.803 124 W CA -0.708 56.660 57.345 0.039 0.000 1.990 124 W CB -0.096 29.367 29.460 0.005 0.000 2.848 124 W HN 0.379 nan 8.180 nan 0.000 0.771 125 R N -0.534 120.073 120.500 0.179 0.000 2.091 125 R HA -0.188 4.151 4.340 -0.001 0.000 0.238 125 R C 1.659 177.795 176.300 -0.274 0.000 1.136 125 R CA 1.998 58.025 56.100 -0.123 0.000 0.959 125 R CB -0.414 29.683 30.300 -0.338 0.000 0.856 125 R HN 0.514 nan 8.270 nan 0.000 0.437 126 H N -1.339 117.805 119.070 0.124 0.000 2.927 126 H HA 0.159 4.714 4.556 -0.001 0.000 0.255 126 H C 0.762 176.199 175.328 0.182 0.000 0.974 126 H CA 0.514 56.661 56.048 0.165 0.000 1.199 126 H CB 0.274 30.114 29.762 0.130 0.000 1.447 126 H HN 0.184 nan 8.280 nan 0.000 0.467 127 S N 1.079 116.807 115.700 0.047 0.000 2.614 127 S HA 0.388 4.858 4.470 -0.001 0.000 0.265 127 S C -0.304 174.225 174.600 -0.117 0.000 1.303 127 S CA -0.426 57.542 58.200 -0.385 0.000 1.000 127 S CB 0.830 63.221 63.200 -1.349 0.000 0.935 127 S HN 0.444 nan 8.310 nan 0.000 0.551 128 Y N -2.829 117.317 120.300 -0.258 0.000 2.717 128 Y HA 0.566 5.115 4.550 -0.001 0.000 0.345 128 Y C -0.815 175.031 175.900 -0.091 0.000 1.187 128 Y CA -0.864 57.081 58.100 -0.258 0.000 1.128 128 Y CB 0.320 38.583 38.460 -0.328 0.000 1.360 128 Y HN 0.920 nan 8.280 nan 0.000 0.467 129 T N 0.170 114.711 114.554 -0.021 0.000 2.940 129 T HA 1.015 5.364 4.350 -0.001 0.000 0.288 129 T C -0.373 174.355 174.700 0.047 0.000 1.033 129 T CA -0.116 62.000 62.100 0.027 0.000 1.033 129 T CB 1.720 70.584 68.868 -0.007 0.000 1.079 129 T HN 1.935 nan 8.240 nan 0.000 0.496 130 A N 1.031 123.862 122.820 0.018 0.000 2.586 130 A HA 0.706 5.025 4.320 -0.001 0.000 0.291 130 A C -0.361 176.979 177.584 -0.406 0.000 1.062 130 A CA -0.961 50.961 52.037 -0.191 0.000 0.666 130 A CB 1.008 19.900 19.000 -0.180 0.000 1.281 130 A HN 0.837 nan 8.150 nan 0.000 0.421 131 S N -0.593 114.662 115.700 -0.743 0.000 2.672 131 S HA 0.803 5.272 4.470 -0.001 0.000 0.276 131 S C -1.312 172.607 174.600 -1.135 0.000 1.207 131 S CA 0.066 57.743 58.200 -0.872 0.000 1.002 131 S CB 0.428 62.801 63.200 -1.379 0.000 0.998 131 S HN 0.469 nan 8.310 nan 0.000 0.542 132 Y N -0.143 119.958 120.300 -0.331 0.000 2.513 132 Y HA 0.457 5.006 4.550 -0.001 0.000 0.340 132 Y C -0.514 175.427 175.900 0.068 0.000 1.055 132 Y CA -0.940 57.095 58.100 -0.108 0.000 1.020 132 Y CB 1.850 40.189 38.460 -0.201 0.000 1.301 132 Y HN 0.480 nan 8.280 nan 0.000 0.453 133 D N 2.074 122.666 120.400 0.319 0.000 2.671 133 D HA 0.577 5.216 4.640 -0.001 0.000 0.232 133 D C -0.989 175.436 176.300 0.207 0.000 1.114 133 D CA -0.302 53.865 54.000 0.279 0.000 0.858 133 D CB 2.673 43.721 40.800 0.414 0.000 1.544 133 D HN 0.408 nan 8.370 nan 0.000 0.471 134 I N 1.529 122.218 120.570 0.198 0.000 2.562 134 I HA 0.346 4.515 4.170 -0.001 0.000 0.301 134 I C -1.054 175.275 176.117 0.354 0.000 1.003 134 I CA -0.968 60.482 61.300 0.249 0.000 1.127 134 I CB 1.751 39.862 38.000 0.185 0.000 1.304 134 I HN 0.241 nan 8.210 nan 0.000 0.446 135 Y N 4.357 124.818 120.300 0.268 0.000 2.373 135 Y HA 0.347 4.896 4.550 -0.001 0.000 0.336 135 Y C -0.804 175.259 175.900 0.272 0.000 0.979 135 Y CA -0.969 57.287 58.100 0.260 0.000 1.080 135 Y CB 1.293 39.917 38.460 0.273 0.000 1.190 135 Y HN 0.470 nan 8.280 nan 0.000 0.446 136 D N 5.385 125.642 120.400 -0.238 0.000 2.277 136 D HA 0.155 4.794 4.640 -0.001 0.000 0.249 136 D C 0.469 176.424 176.300 -0.574 0.000 1.134 136 D CA 0.228 54.038 54.000 -0.316 0.000 0.863 136 D CB 1.350 42.032 40.800 -0.196 0.000 1.143 136 D HN 0.849 nan 8.370 nan 0.000 0.458 137 L N 3.540 124.504 121.223 -0.431 0.000 2.131 137 L HA -0.043 4.296 4.340 -0.001 0.000 0.206 137 L C 1.714 178.419 176.870 -0.275 0.000 1.087 137 L CA 0.493 55.151 54.840 -0.303 0.000 0.767 137 L CB -0.135 41.807 42.059 -0.195 0.000 0.917 137 L HN 0.360 nan 8.230 nan 0.000 0.441 138 N N -0.184 118.343 118.700 -0.288 0.000 2.494 138 N HA 0.003 4.742 4.740 -0.001 0.000 0.182 138 N C 0.211 175.616 175.510 -0.175 0.000 1.076 138 N CA 0.626 53.556 53.050 -0.200 0.000 0.908 138 N CB 0.205 38.584 38.487 -0.181 0.000 0.967 138 N HN 0.391 nan 8.380 nan 0.000 0.449 139 K N -0.134 120.135 120.400 -0.219 0.000 2.307 139 K HA 0.475 4.794 4.320 -0.001 0.000 0.239 139 K C 0.019 176.470 176.600 -0.248 0.000 1.083 139 K CA -0.674 55.504 56.287 -0.181 0.000 0.913 139 K CB 1.494 33.900 32.500 -0.157 0.000 1.322 139 K HN -0.224 nan 8.250 nan 0.000 0.514 140 R N 0.914 121.289 120.500 -0.207 0.000 2.772 140 R HA 0.157 4.496 4.340 -0.001 0.000 0.358 140 R C -0.656 175.548 176.300 -0.160 0.000 1.143 140 R CA -0.185 55.789 56.100 -0.210 0.000 1.153 140 R CB 1.082 31.360 30.300 -0.036 0.000 1.329 140 R HN 0.450 nan 8.270 nan 0.000 0.615 141 Q N 0.909 120.530 119.800 -0.297 0.000 2.306 141 Q HA 0.463 4.802 4.340 -0.001 0.000 0.265 141 Q C -0.682 175.295 176.000 -0.039 0.000 1.022 141 Q CA -0.678 55.076 55.803 -0.081 0.000 0.853 141 Q CB 1.713 30.420 28.738 -0.051 0.000 1.327 141 Q HN 0.214 nan 8.270 nan 0.000 0.449 142 L N 2.421 123.775 121.223 0.218 0.000 2.454 142 L HA 0.433 4.772 4.340 -0.001 0.000 0.256 142 L C -0.101 176.870 176.870 0.169 0.000 1.136 142 L CA -0.635 54.391 54.840 0.311 0.000 0.804 142 L CB 0.793 43.064 42.059 0.354 0.000 1.181 142 L HN 0.575 nan 8.230 nan 0.000 0.469 143 I N -0.004 120.665 120.570 0.166 0.000 2.354 143 I HA 0.150 4.319 4.170 -0.001 0.000 0.292 143 I C 0.588 176.754 176.117 0.081 0.000 0.989 143 I CA -0.139 61.222 61.300 0.103 0.000 1.188 143 I CB 1.864 39.918 38.000 0.091 0.000 1.342 143 I HN 0.684 nan 8.210 nan 0.000 0.457 144 T N 2.064 116.649 114.554 0.052 0.000 3.040 144 T HA 0.091 4.440 4.350 -0.001 0.000 0.252 144 T C 0.645 175.350 174.700 0.007 0.000 1.064 144 T CA 0.151 62.271 62.100 0.033 0.000 1.110 144 T CB -0.023 68.860 68.868 0.024 0.000 0.921 144 T HN 0.475 nan 8.240 nan 0.000 0.480 145 E N 2.286 122.489 120.200 0.004 0.000 2.229 145 E HA 0.143 4.492 4.350 -0.001 0.000 0.283 145 E C -0.491 176.087 176.600 -0.037 0.000 1.030 145 E CA -0.284 56.107 56.400 -0.015 0.000 0.836 145 E CB 0.364 30.060 29.700 -0.007 0.000 1.068 145 E HN 0.152 nan 8.360 nan 0.000 0.401 146 E N 1.739 121.903 120.200 -0.059 0.000 2.230 146 E HA -0.252 4.097 4.350 -0.001 0.000 0.206 146 E C -0.718 175.811 176.600 -0.118 0.000 1.309 146 E CA 0.666 57.012 56.400 -0.090 0.000 0.697 146 E CB -1.296 28.358 29.700 -0.076 0.000 1.146 146 E HN 0.539 nan 8.360 nan 0.000 0.363 147 R N -0.022 120.400 120.500 -0.129 0.000 2.641 147 R HA 0.381 4.720 4.340 -0.001 0.000 0.269 147 R C 1.248 177.378 176.300 -0.284 0.000 1.074 147 R CA -0.538 55.471 56.100 -0.151 0.000 1.133 147 R CB 0.595 30.833 30.300 -0.104 0.000 1.029 147 R HN 0.178 nan 8.270 nan 0.000 0.488 148 I N 3.902 124.276 120.570 -0.327 0.000 2.815 148 I HA -0.007 4.162 4.170 -0.001 0.000 0.291 148 I C -1.734 174.073 176.117 -0.516 0.000 1.209 148 I CA -1.379 59.578 61.300 -0.571 0.000 1.431 148 I CB 0.252 37.952 38.000 -0.501 0.000 1.351 148 I HN 0.314 nan 8.210 nan 0.000 0.585 149 P HA 0.148 nan 4.420 nan 0.000 0.277 149 P C -0.941 176.121 177.300 -0.396 0.000 1.240 149 P CA -0.536 62.151 63.100 -0.688 0.000 0.798 149 P CB 0.383 31.225 31.700 -1.430 0.000 0.979 150 N N 2.327 120.893 118.700 -0.223 0.000 2.344 150 N HA -0.049 4.690 4.740 -0.001 0.000 0.236 150 N C 0.583 176.144 175.510 0.085 0.000 1.279 150 N CA 0.499 53.485 53.050 -0.107 0.000 0.882 150 N CB -0.327 38.117 38.487 -0.073 0.000 1.110 150 N HN 0.467 nan 8.380 nan 0.000 0.436 151 N N -1.129 117.605 118.700 0.057 0.000 2.747 151 N HA -0.155 4.584 4.740 -0.001 0.000 0.249 151 N C -0.769 174.898 175.510 0.262 0.000 1.107 151 N CA 0.705 53.832 53.050 0.129 0.000 0.707 151 N CB -1.566 37.002 38.487 0.135 0.000 1.054 151 N HN 0.506 nan 8.380 nan 0.000 0.555 152 T N 0.681 115.364 114.554 0.215 0.000 2.930 152 T HA 0.102 4.451 4.350 -0.001 0.000 0.306 152 T C 1.670 176.511 174.700 0.235 0.000 1.045 152 T CA 0.275 62.531 62.100 0.260 0.000 1.134 152 T CB 1.241 70.182 68.868 0.123 0.000 0.961 152 T HN 0.200 nan 8.240 nan 0.000 0.545 153 Q N 1.046 120.987 119.800 0.235 0.000 2.402 153 Q HA 0.219 4.559 4.340 -0.001 0.000 0.231 153 Q C -0.011 176.161 176.000 0.286 0.000 0.888 153 Q CA 0.078 56.031 55.803 0.250 0.000 0.938 153 Q CB 1.111 29.971 28.738 0.204 0.000 1.086 153 Q HN 0.713 nan 8.270 nan 0.000 0.543 154 W N 0.006 121.283 121.300 -0.038 0.000 3.248 154 W HA 0.504 5.163 4.660 -0.001 0.000 0.311 154 W C -2.257 174.195 176.519 -0.111 0.000 1.258 154 W CA -0.600 56.684 57.345 -0.100 0.000 1.191 154 W CB 1.333 30.683 29.460 -0.184 0.000 1.389 154 W HN -0.344 nan 8.180 nan 0.000 0.561 155 V N 2.968 122.108 119.914 -1.291 0.000 2.891 155 V HA 0.643 4.762 4.120 -0.001 0.000 0.304 155 V C -0.416 175.019 176.094 -1.098 0.000 1.171 155 V CA -0.568 61.153 62.300 -0.965 0.000 0.943 155 V CB 1.711 32.899 31.823 -1.059 0.000 1.037 155 V HN 0.548 nan 8.190 nan 0.000 0.427 156 T N 2.031 116.290 114.554 -0.491 0.000 2.942 156 T HA 0.583 4.932 4.350 -0.001 0.000 0.327 156 T C -1.757 172.974 174.700 0.051 0.000 1.360 156 T CA -0.347 61.652 62.100 -0.169 0.000 1.055 156 T CB 1.196 70.227 68.868 0.271 0.000 1.261 156 T HN 0.511 nan 8.240 nan 0.000 0.485 157 W N 2.496 123.830 121.300 0.056 0.000 2.283 157 W HA 0.553 5.212 4.660 -0.001 0.000 0.341 157 W C 1.122 177.457 176.519 -0.306 0.000 1.206 157 W CA -0.721 56.594 57.345 -0.049 0.000 1.294 157 W CB 1.003 30.431 29.460 -0.052 0.000 1.154 157 W HN 0.862 nan 8.180 nan 0.000 0.613 158 S N 1.428 116.827 115.700 -0.501 0.000 2.587 158 S HA 0.049 4.518 4.470 -0.001 0.000 0.260 158 S C -1.851 172.440 174.600 -0.516 0.000 1.353 158 S CA -0.779 56.574 58.200 -1.412 0.000 0.995 158 S CB 0.129 62.547 63.200 -1.303 0.000 0.912 158 S HN 0.321 nan 8.310 nan 0.000 0.568 159 P HA 0.267 nan 4.420 nan 0.000 0.245 159 P C -0.552 176.685 177.300 -0.106 0.000 1.206 159 P CA 0.295 63.332 63.100 -0.105 0.000 0.781 159 P CB 0.203 31.896 31.700 -0.011 0.000 0.994 160 V N -0.941 118.864 119.914 -0.183 0.000 2.624 160 V HA 0.634 4.753 4.120 -0.001 0.000 0.294 160 V C 0.384 176.364 176.094 -0.190 0.000 1.077 160 V CA 0.180 62.396 62.300 -0.140 0.000 0.905 160 V CB 1.105 32.870 31.823 -0.096 0.000 1.025 160 V HN 0.414 nan 8.190 nan 0.000 0.440 161 G N 4.150 112.842 108.800 -0.180 0.000 2.456 161 G HA2 -0.026 3.933 3.960 -0.001 0.000 0.204 161 G HA3 -0.026 3.933 3.960 -0.001 0.000 0.204 161 G C -0.062 174.714 174.900 -0.205 0.000 1.193 161 G CA 0.250 45.203 45.100 -0.245 0.000 1.220 161 G HN 1.741 nan 8.290 nan 0.000 0.565 162 H N -0.517 118.502 119.070 -0.085 0.000 3.411 162 H HA 0.383 4.938 4.556 -0.001 0.000 0.232 162 H C -0.004 175.400 175.328 0.127 0.000 1.322 162 H CA -0.302 55.712 56.048 -0.056 0.000 1.077 162 H CB -0.288 29.466 29.762 -0.014 0.000 2.741 162 H HN 0.458 nan 8.280 nan 0.000 0.596 163 K N 1.574 122.056 120.400 0.136 0.000 2.168 163 K HA 0.526 4.845 4.320 -0.001 0.000 0.258 163 K C -0.432 176.339 176.600 0.285 0.000 1.010 163 K CA -0.474 55.913 56.287 0.167 0.000 0.929 163 K CB 1.757 34.238 32.500 -0.031 0.000 0.998 163 K HN 0.130 nan 8.250 nan 0.000 0.479 164 L N 0.657 122.051 121.223 0.284 0.000 2.388 164 L HA 0.610 4.949 4.340 -0.001 0.000 0.264 164 L C -1.093 175.985 176.870 0.348 0.000 0.998 164 L CA -0.850 54.104 54.840 0.191 0.000 0.817 164 L CB 2.195 44.226 42.059 -0.046 0.000 1.338 164 L HN 0.711 nan 8.230 nan 0.000 0.414 165 A N 1.960 124.968 122.820 0.314 0.000 2.374 165 A HA 0.770 5.089 4.320 -0.001 0.000 0.305 165 A C -1.596 176.056 177.584 0.114 0.000 1.053 165 A CA -0.381 51.765 52.037 0.181 0.000 0.726 165 A CB 1.186 20.232 19.000 0.076 0.000 1.229 165 A HN 0.630 nan 8.150 nan 0.000 0.431 166 Y N -0.236 120.056 120.300 -0.012 0.000 2.665 166 Y HA 0.844 5.394 4.550 -0.001 0.000 0.336 166 Y C -1.131 174.812 175.900 0.072 0.000 1.085 166 Y CA -1.801 56.272 58.100 -0.045 0.000 1.096 166 Y CB 1.328 39.699 38.460 -0.149 0.000 1.301 166 Y HN 0.426 nan 8.280 nan 0.000 0.493 167 V N 1.454 121.581 119.914 0.354 0.000 2.524 167 V HA 0.264 4.383 4.120 -0.001 0.000 0.297 167 V C -1.673 174.670 176.094 0.415 0.000 1.035 167 V CA -0.653 61.804 62.300 0.260 0.000 0.867 167 V CB 1.170 33.051 31.823 0.097 0.000 1.004 167 V HN 0.864 nan 8.190 nan 0.000 0.426 168 W N 4.949 126.390 121.300 0.235 0.000 2.739 168 W HA 0.519 5.178 4.660 -0.001 0.000 0.331 168 W C 0.591 177.164 176.519 0.089 0.000 1.049 168 W CA -0.652 56.772 57.345 0.132 0.000 1.234 168 W CB 1.328 30.835 29.460 0.077 0.000 1.404 168 W HN 0.771 nan 8.180 nan 0.000 0.477 169 N N 4.680 123.074 118.700 -0.511 0.000 2.714 169 N HA -0.335 4.404 4.740 -0.001 0.000 0.250 169 N C -0.061 175.283 175.510 -0.276 0.000 1.117 169 N CA 1.238 53.946 53.050 -0.571 0.000 0.719 169 N CB -0.863 37.041 38.487 -0.971 0.000 1.081 169 N HN 0.774 nan 8.380 nan 0.000 0.557 170 N N -0.942 117.664 118.700 -0.155 0.000 2.925 170 N HA -0.129 4.611 4.740 -0.001 0.000 0.244 170 N C -1.543 173.899 175.510 -0.113 0.000 1.000 170 N CA 1.510 54.484 53.050 -0.127 0.000 0.895 170 N CB -0.611 37.757 38.487 -0.197 0.000 1.119 170 N HN 0.482 nan 8.380 nan 0.000 0.569 171 D N -0.003 120.351 120.400 -0.077 0.000 2.342 171 D HA 0.469 5.108 4.640 -0.001 0.000 0.243 171 D C 0.524 176.681 176.300 -0.238 0.000 1.019 171 D CA -0.456 53.428 54.000 -0.193 0.000 0.864 171 D CB 1.430 42.059 40.800 -0.284 0.000 1.315 171 D HN 0.006 nan 8.370 nan 0.000 0.468 172 I N 1.485 121.747 120.570 -0.514 0.000 2.519 172 I HA 0.199 4.368 4.170 -0.001 0.000 0.287 172 I C -0.595 175.007 176.117 -0.858 0.000 1.047 172 I CA -0.208 60.757 61.300 -0.560 0.000 1.381 172 I CB 0.498 38.081 38.000 -0.695 0.000 1.417 172 I HN 0.189 nan 8.210 nan 0.000 0.540 173 Y N 3.483 123.417 120.300 -0.609 0.000 2.524 173 Y HA 0.614 5.163 4.550 -0.001 0.000 0.347 173 Y C -0.478 175.097 175.900 -0.541 0.000 1.005 173 Y CA -0.800 56.836 58.100 -0.774 0.000 1.025 173 Y CB 2.181 39.599 38.460 -1.736 0.000 1.275 173 Y HN 0.102 nan 8.280 nan 0.000 0.460 174 V N 2.571 122.413 119.914 -0.121 0.000 2.789 174 V HA 0.514 4.633 4.120 -0.001 0.000 0.311 174 V C -0.946 175.276 176.094 0.214 0.000 1.073 174 V CA -1.360 60.984 62.300 0.073 0.000 0.921 174 V CB 2.212 34.097 31.823 0.104 0.000 1.009 174 V HN 0.611 nan 8.190 nan 0.000 0.426 175 K N 3.228 123.774 120.400 0.244 0.000 2.376 175 K HA 0.556 4.875 4.320 -0.001 0.000 0.257 175 K C 0.220 176.966 176.600 0.243 0.000 0.939 175 K CA -0.717 55.701 56.287 0.218 0.000 0.809 175 K CB 2.025 34.611 32.500 0.143 0.000 1.121 175 K HN 0.447 nan 8.250 nan 0.000 0.425 176 I N 1.346 122.069 120.570 0.256 0.000 2.585 176 I HA -0.006 4.163 4.170 -0.001 0.000 0.254 176 I C 0.174 176.414 176.117 0.205 0.000 1.129 176 I CA 1.282 62.718 61.300 0.228 0.000 1.455 176 I CB 0.038 38.189 38.000 0.251 0.000 1.111 176 I HN 0.579 nan 8.210 nan 0.000 0.433 177 E N 0.044 120.331 120.200 0.146 0.000 2.292 177 E HA 0.267 4.616 4.350 -0.001 0.000 0.272 177 E C -2.052 174.513 176.600 -0.060 0.000 0.881 177 E CA -1.779 54.657 56.400 0.060 0.000 0.754 177 E CB 1.902 31.642 29.700 0.066 0.000 1.201 177 E HN -0.167 nan 8.360 nan 0.000 0.425 178 P HA -0.160 nan 4.420 nan 0.000 0.218 178 P C 0.763 177.984 177.300 -0.132 0.000 1.148 178 P CA 1.327 64.272 63.100 -0.258 0.000 0.822 178 P CB 0.227 31.562 31.700 -0.607 0.000 0.784 179 N N -1.617 117.026 118.700 -0.095 0.000 2.268 179 N HA 0.029 4.768 4.740 -0.001 0.000 0.204 179 N C 0.067 175.562 175.510 -0.026 0.000 1.124 179 N CA 0.226 53.255 53.050 -0.034 0.000 0.838 179 N CB -0.342 38.147 38.487 0.003 0.000 0.994 179 N HN 0.025 nan 8.380 nan 0.000 0.489 180 L N 0.647 121.852 121.223 -0.030 0.000 2.335 180 L HA 0.674 5.013 4.340 -0.001 0.000 0.268 180 L C -2.228 174.600 176.870 -0.071 0.000 1.016 180 L CA -2.417 52.403 54.840 -0.033 0.000 0.805 180 L CB 1.146 43.203 42.059 -0.004 0.000 1.311 180 L HN -0.100 nan 8.230 nan 0.000 0.456 181 P HA 0.198 nan 4.420 nan 0.000 0.274 181 P C -0.779 176.364 177.300 -0.261 0.000 1.231 181 P CA -0.325 62.678 63.100 -0.162 0.000 0.790 181 P CB 0.703 32.301 31.700 -0.171 0.000 0.951 182 S N 1.703 117.295 115.700 -0.181 0.000 2.707 182 S HA 0.479 4.948 4.470 -0.001 0.000 0.276 182 S C -1.034 173.397 174.600 -0.282 0.000 1.179 182 S CA -0.346 57.772 58.200 -0.138 0.000 0.992 182 S CB 0.240 63.498 63.200 0.097 0.000 1.030 182 S HN 0.302 nan 8.310 nan 0.000 0.554 183 Y N 0.008 120.337 120.300 0.048 0.000 2.328 183 Y HA 0.474 5.023 4.550 -0.001 0.000 0.336 183 Y C 0.540 176.358 175.900 -0.137 0.000 0.960 183 Y CA -0.827 57.272 58.100 -0.001 0.000 1.134 183 Y CB 1.336 39.791 38.460 -0.008 0.000 1.166 183 Y HN 0.703 nan 8.280 nan 0.000 0.464 184 R N 3.588 124.028 120.500 -0.100 0.000 2.347 184 R HA 0.220 4.559 4.340 -0.001 0.000 0.304 184 R C 0.150 176.188 176.300 -0.436 0.000 1.072 184 R CA 0.072 55.779 56.100 -0.655 0.000 0.980 184 R CB 0.322 30.119 30.300 -0.838 0.000 0.986 184 R HN 0.772 nan 8.270 nan 0.000 0.448 185 I N 2.374 122.608 120.570 -0.561 0.000 3.265 185 I HA 0.009 4.178 4.170 -0.001 0.000 0.282 185 I C 0.971 176.901 176.117 -0.311 0.000 1.207 185 I CA 0.735 61.834 61.300 -0.334 0.000 1.449 185 I CB -0.488 37.267 38.000 -0.408 0.000 1.121 185 I HN 0.666 nan 8.210 nan 0.000 0.442 186 T N -4.029 110.209 114.554 -0.527 0.000 2.906 186 T HA 0.446 4.795 4.350 -0.001 0.000 0.295 186 T C -0.724 173.716 174.700 -0.433 0.000 1.075 186 T CA -0.470 61.433 62.100 -0.329 0.000 1.005 186 T CB 2.158 70.813 68.868 -0.355 0.000 1.136 186 T HN 0.160 nan 8.240 nan 0.000 0.498 187 W N -0.175 121.026 121.300 -0.165 0.000 2.079 187 W HA 0.216 4.876 4.660 -0.001 0.000 0.285 187 W C 1.985 178.456 176.519 -0.079 0.000 0.891 187 W CA 0.025 57.308 57.345 -0.102 0.000 1.308 187 W CB 0.376 29.795 29.460 -0.069 0.000 1.047 187 W HN 0.933 nan 8.180 nan 0.000 0.522 188 T N -2.528 112.074 114.554 0.081 0.000 3.054 188 T HA 0.191 4.541 4.350 -0.001 0.000 0.259 188 T C 1.498 176.197 174.700 -0.002 0.000 1.092 188 T CA 0.461 62.588 62.100 0.045 0.000 1.121 188 T CB -0.493 68.396 68.868 0.035 0.000 0.912 188 T HN 0.039 nan 8.240 nan 0.000 0.489 189 G N 1.579 110.347 108.800 -0.054 0.000 2.134 189 G HA2 0.186 4.145 3.960 -0.001 0.000 0.246 189 G HA3 0.186 4.145 3.960 -0.001 0.000 0.246 189 G C -0.480 174.363 174.900 -0.095 0.000 1.024 189 G CA -0.065 44.980 45.100 -0.093 0.000 0.895 189 G HN 0.619 nan 8.290 nan 0.000 0.420 190 K N 1.972 122.297 120.400 -0.124 0.000 2.589 190 K HA 0.160 4.480 4.320 -0.001 0.000 0.253 190 K C -0.162 176.326 176.600 -0.187 0.000 0.974 190 K CA -0.664 55.550 56.287 -0.121 0.000 0.835 190 K CB 1.503 33.967 32.500 -0.060 0.000 1.272 190 K HN 0.619 nan 8.250 nan 0.000 0.444 191 E N 3.051 123.143 120.200 -0.180 0.000 2.652 191 E HA -0.148 4.201 4.350 -0.001 0.000 0.255 191 E C -0.576 175.934 176.600 -0.149 0.000 0.952 191 E CA 1.047 57.332 56.400 -0.192 0.000 0.947 191 E CB 0.248 29.872 29.700 -0.127 0.000 0.912 191 E HN 0.623 nan 8.360 nan 0.000 0.489 192 D N 2.522 122.799 120.400 -0.205 0.000 3.079 192 D HA -0.237 4.402 4.640 -0.001 0.000 0.214 192 D C 0.423 176.800 176.300 0.128 0.000 1.145 192 D CA 1.459 55.474 54.000 0.025 0.000 0.958 192 D CB -0.971 39.886 40.800 0.094 0.000 1.117 192 D HN 0.518 nan 8.370 nan 0.000 0.416 193 I N -1.181 119.394 120.570 0.008 0.000 4.317 193 I HA 0.062 4.232 4.170 -0.001 0.000 0.289 193 I C 0.117 176.356 176.117 0.204 0.000 1.164 193 I CA 0.009 61.397 61.300 0.147 0.000 1.312 193 I CB 0.928 38.972 38.000 0.073 0.000 1.569 193 I HN -0.162 nan 8.210 nan 0.000 0.450 194 I N 1.893 122.482 120.570 0.031 0.000 2.382 194 I HA 0.273 4.443 4.170 -0.001 0.000 0.285 194 I C -1.446 174.706 176.117 0.059 0.000 1.007 194 I CA -0.535 60.835 61.300 0.117 0.000 1.142 194 I CB 0.648 38.679 38.000 0.052 0.000 1.289 194 I HN 0.015 nan 8.210 nan 0.000 0.453 195 Y N 4.679 125.073 120.300 0.156 0.000 2.345 195 Y HA 0.395 4.944 4.550 -0.001 0.000 0.331 195 Y C 0.499 176.463 175.900 0.108 0.000 0.959 195 Y CA -1.048 57.146 58.100 0.157 0.000 1.204 195 Y CB 0.850 39.479 38.460 0.281 0.000 1.135 195 Y HN 0.390 nan 8.280 nan 0.000 0.477 196 N N 2.458 121.228 118.700 0.116 0.000 2.439 196 N HA 0.331 5.070 4.740 -0.001 0.000 0.249 196 N C 0.940 176.409 175.510 -0.069 0.000 1.003 196 N CA 0.604 53.648 53.050 -0.011 0.000 0.942 196 N CB 1.619 40.002 38.487 -0.173 0.000 1.115 196 N HN 1.020 nan 8.380 nan 0.000 0.505 197 G N 1.768 110.555 108.800 -0.022 0.000 2.176 197 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.253 197 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.253 197 G C 0.074 174.861 174.900 -0.189 0.000 0.979 197 G CA 0.583 45.596 45.100 -0.145 0.000 0.641 197 G HN 0.635 nan 8.290 nan 0.000 0.530 198 I N -1.701 118.834 120.570 -0.057 0.000 2.894 198 I HA 0.765 4.934 4.170 -0.001 0.000 0.302 198 I C 0.364 176.585 176.117 0.172 0.000 1.188 198 I CA -0.768 60.412 61.300 -0.200 0.000 1.014 198 I CB 1.813 39.401 38.000 -0.686 0.000 1.242 198 I HN 0.159 nan 8.210 nan 0.000 0.430 199 T N -0.522 114.118 114.554 0.144 0.000 2.882 199 T HA 0.365 4.714 4.350 -0.001 0.000 0.287 199 T C -0.158 174.428 174.700 -0.189 0.000 1.014 199 T CA -0.592 61.466 62.100 -0.070 0.000 1.049 199 T CB 0.952 69.819 68.868 -0.002 0.000 1.001 199 T HN 0.780 nan 8.240 nan 0.000 0.525 200 D N -0.032 119.966 120.400 -0.669 0.000 2.478 200 D HA 0.041 4.681 4.640 -0.001 0.000 0.274 200 D C 0.943 177.147 176.300 -0.161 0.000 1.234 200 D CA -1.148 52.439 54.000 -0.689 0.000 1.069 200 D CB -0.013 40.283 40.800 -0.839 0.000 1.113 200 D HN 0.722 nan 8.370 nan 0.000 0.571 201 W N -0.177 121.027 121.300 -0.159 0.000 2.358 201 W HA -0.173 4.487 4.660 -0.001 0.000 0.303 201 W C 1.971 178.344 176.519 -0.244 0.000 1.208 201 W CA 2.522 59.775 57.345 -0.154 0.000 1.274 201 W CB -0.081 29.253 29.460 -0.211 0.000 1.138 201 W HN 0.215 nan 8.180 nan 0.000 0.515 202 V N -2.295 117.651 119.914 0.054 0.000 2.591 202 V HA -0.226 3.893 4.120 -0.001 0.000 0.249 202 V C 1.723 177.576 176.094 -0.402 0.000 1.053 202 V CA 1.350 63.553 62.300 -0.162 0.000 1.068 202 V CB -1.677 30.022 31.823 -0.208 0.000 0.689 202 V HN 0.209 nan 8.190 nan 0.000 0.462 203 Y N 1.420 121.441 120.300 -0.465 0.000 2.181 203 Y HA -0.179 4.370 4.550 -0.001 0.000 0.288 203 Y C 2.876 178.507 175.900 -0.447 0.000 1.146 203 Y CA 2.359 60.098 58.100 -0.603 0.000 1.164 203 Y CB -0.159 37.720 38.460 -0.969 0.000 0.982 203 Y HN 0.323 nan 8.280 nan 0.000 0.515 204 E N 0.288 120.366 120.200 -0.204 0.000 2.058 204 E HA -0.327 4.023 4.350 -0.001 0.000 0.194 204 E C 2.008 178.511 176.600 -0.162 0.000 0.997 204 E CA 1.735 58.077 56.400 -0.098 0.000 0.801 204 E CB -0.064 29.594 29.700 -0.069 0.000 0.746 204 E HN 0.460 nan 8.360 nan 0.000 0.450 205 E N -0.169 119.741 120.200 -0.483 0.000 2.158 205 E HA -0.119 4.230 4.350 -0.001 0.000 0.191 205 E C 1.318 177.750 176.600 -0.279 0.000 0.982 205 E CA 1.161 57.257 56.400 -0.506 0.000 0.823 205 E CB 0.319 29.321 29.700 -1.163 0.000 0.766 205 E HN 0.198 nan 8.360 nan 0.000 0.468 206 E N -1.085 118.935 120.200 -0.298 0.000 2.572 206 E HA 0.145 4.495 4.350 -0.001 0.000 0.220 206 E C 1.029 177.493 176.600 -0.226 0.000 0.945 206 E CA 0.255 56.532 56.400 -0.205 0.000 1.070 206 E CB 1.530 31.083 29.700 -0.244 0.000 1.090 206 E HN 0.172 nan 8.360 nan 0.000 0.506 207 V N -0.599 119.148 119.914 -0.279 0.000 3.054 207 V HA 0.080 4.199 4.120 -0.001 0.000 0.227 207 V C 1.227 177.310 176.094 -0.019 0.000 1.252 207 V CA 0.430 62.554 62.300 -0.293 0.000 1.279 207 V CB -0.061 31.375 31.823 -0.645 0.000 1.118 207 V HN 0.001 nan 8.190 nan 0.000 0.504 208 F N 0.977 120.948 119.950 0.036 0.000 2.656 208 F HA 0.329 4.855 4.527 -0.001 0.000 0.291 208 F C 1.469 177.246 175.800 -0.039 0.000 1.122 208 F CA -0.036 57.998 58.000 0.057 0.000 1.427 208 F CB -0.621 38.453 39.000 0.124 0.000 1.125 208 F HN 0.155 nan 8.300 nan 0.000 0.583 209 S N 0.302 116.050 115.700 0.080 0.000 3.706 209 S HA 0.123 4.593 4.470 -0.001 0.000 0.363 209 S C 0.045 174.282 174.600 -0.606 0.000 0.999 209 S CA 0.363 58.474 58.200 -0.149 0.000 1.143 209 S CB -2.034 61.127 63.200 -0.064 0.000 0.902 209 S HN 0.827 nan 8.310 nan 0.000 0.476 210 A N -0.401 122.263 122.820 -0.259 0.000 2.569 210 A HA 0.642 4.961 4.320 -0.001 0.000 0.292 210 A C -0.434 177.184 177.584 0.057 0.000 1.032 210 A CA -0.476 51.453 52.037 -0.180 0.000 0.669 210 A CB 0.067 18.967 19.000 -0.167 0.000 1.290 210 A HN 0.513 nan 8.150 nan 0.000 0.422 211 Y N 1.007 121.202 120.300 -0.176 0.000 2.503 211 Y HA 0.293 4.842 4.550 -0.001 0.000 0.278 211 Y C 1.497 177.174 175.900 -0.372 0.000 1.111 211 Y CA 0.743 58.749 58.100 -0.158 0.000 1.270 211 Y CB 0.105 38.497 38.460 -0.113 0.000 1.063 211 Y HN 0.700 nan 8.280 nan 0.000 0.548 212 S N 0.639 115.925 115.700 -0.690 0.000 2.564 212 S HA 0.510 4.979 4.470 -0.001 0.000 0.278 212 S C 0.104 174.284 174.600 -0.700 0.000 1.333 212 S CA 0.206 57.727 58.200 -1.131 0.000 1.048 212 S CB 0.389 62.688 63.200 -1.502 0.000 0.900 212 S HN 0.380 nan 8.310 nan 0.000 0.505 213 A N 5.595 127.953 122.820 -0.768 0.000 3.415 213 A HA 0.562 4.882 4.320 -0.001 0.000 0.244 213 A C -0.852 175.977 177.584 -1.257 0.000 0.988 213 A CA -0.514 50.998 52.037 -0.875 0.000 0.991 213 A CB -0.065 18.944 19.000 0.014 0.000 1.240 213 A HN 0.708 nan 8.150 nan 0.000 0.541 214 L N 0.242 120.453 121.223 -1.687 0.000 2.445 214 L HA 0.667 5.007 4.340 -0.001 0.000 0.262 214 L C -1.325 174.957 176.870 -0.980 0.000 0.974 214 L CA -0.596 53.660 54.840 -0.973 0.000 0.822 214 L CB 2.251 44.031 42.059 -0.464 0.000 1.339 214 L HN 0.519 nan 8.230 nan 0.000 0.409 215 W N 1.451 122.800 121.300 0.081 0.000 2.968 215 W HA 0.261 4.920 4.660 -0.001 0.000 0.337 215 W C -1.319 175.424 176.519 0.373 0.000 1.060 215 W CA -0.893 56.608 57.345 0.261 0.000 1.240 215 W CB 1.569 31.207 29.460 0.298 0.000 1.370 215 W HN 0.464 nan 8.180 nan 0.000 0.459 216 W N 2.501 124.030 121.300 0.381 0.000 2.261 216 W HA 0.281 4.940 4.660 -0.001 0.000 0.323 216 W C 1.205 177.503 176.519 -0.368 0.000 1.243 216 W CA 0.256 57.661 57.345 0.100 0.000 1.210 216 W CB 1.014 30.509 29.460 0.057 0.000 1.149 216 W HN 0.167 nan 8.180 nan 0.000 0.562 217 S N 2.731 118.029 115.700 -0.670 0.000 2.600 217 S HA 0.165 4.634 4.470 -0.001 0.000 0.265 217 S C -1.754 172.570 174.600 -0.459 0.000 1.325 217 S CA -0.970 56.288 58.200 -1.570 0.000 1.002 217 S CB 0.868 63.198 63.200 -1.450 0.000 0.921 217 S HN 0.328 nan 8.310 nan 0.000 0.554 218 P HA 0.002 nan 4.420 nan 0.000 0.223 218 P C 0.927 178.186 177.300 -0.069 0.000 1.151 218 P CA 0.764 63.821 63.100 -0.072 0.000 0.787 218 P CB -0.084 31.624 31.700 0.013 0.000 0.788 219 N N -0.507 118.143 118.700 -0.084 0.000 2.244 219 N HA -0.061 4.678 4.740 -0.001 0.000 0.183 219 N C 1.528 176.978 175.510 -0.100 0.000 1.016 219 N CA 1.703 54.709 53.050 -0.073 0.000 0.866 219 N CB -0.694 37.752 38.487 -0.068 0.000 0.980 219 N HN 0.178 nan 8.380 nan 0.000 0.430 220 G N -1.487 107.269 108.800 -0.072 0.000 2.157 220 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.248 220 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.248 220 G C 1.122 176.077 174.900 0.092 0.000 0.979 220 G CA 1.015 46.096 45.100 -0.032 0.000 0.650 220 G HN 0.365 nan 8.290 nan 0.000 0.529 221 T N 0.010 114.530 114.554 -0.056 0.000 2.674 221 T HA 0.172 4.521 4.350 -0.001 0.000 0.265 221 T C 0.858 175.392 174.700 -0.277 0.000 1.039 221 T CA 1.442 63.391 62.100 -0.252 0.000 1.150 221 T CB -0.099 68.474 68.868 -0.492 0.000 0.864 221 T HN 0.307 nan 8.240 nan 0.000 0.427 222 F N 0.137 120.114 119.950 0.046 0.000 2.458 222 F HA 0.565 5.091 4.527 -0.001 0.000 0.330 222 F C -0.043 175.793 175.800 0.060 0.000 1.082 222 F CA -1.243 56.807 58.000 0.083 0.000 0.995 222 F CB 1.109 40.209 39.000 0.168 0.000 1.170 222 F HN -0.080 nan 8.300 nan 0.000 0.478 223 L N 2.885 124.234 121.223 0.210 0.000 2.318 223 L HA 0.655 4.995 4.340 -0.001 0.000 0.277 223 L C -0.505 176.469 176.870 0.175 0.000 1.008 223 L CA -0.518 54.288 54.840 -0.056 0.000 0.846 223 L CB 0.882 42.736 42.059 -0.343 0.000 1.220 223 L HN 0.818 nan 8.230 nan 0.000 0.423 224 A N 4.845 127.850 122.820 0.308 0.000 2.293 224 A HA 0.727 5.046 4.320 -0.001 0.000 0.302 224 A C -1.172 176.520 177.584 0.179 0.000 1.119 224 A CA -0.230 51.864 52.037 0.096 0.000 0.823 224 A CB 0.915 19.995 19.000 0.134 0.000 1.097 224 A HN 0.718 nan 8.150 nan 0.000 0.491 225 Y N -2.404 117.750 120.300 -0.243 0.000 2.689 225 Y HA 0.762 5.311 4.550 -0.001 0.000 0.333 225 Y C -0.453 175.412 175.900 -0.059 0.000 1.208 225 Y CA -0.885 57.169 58.100 -0.076 0.000 1.055 225 Y CB 0.820 39.163 38.460 -0.195 0.000 1.304 225 Y HN 1.002 nan 8.280 nan 0.000 0.455 226 A N 1.464 124.442 122.820 0.263 0.000 2.380 226 A HA 0.747 5.066 4.320 -0.001 0.000 0.315 226 A C -1.515 176.000 177.584 -0.115 0.000 1.101 226 A CA -0.844 51.235 52.037 0.070 0.000 0.771 226 A CB 2.133 21.227 19.000 0.157 0.000 1.287 226 A HN 0.789 nan 8.150 nan 0.000 0.436 227 Q N 0.875 120.475 119.800 -0.333 0.000 2.285 227 Q HA 0.610 4.949 4.340 -0.001 0.000 0.269 227 Q C -2.156 173.585 176.000 -0.432 0.000 1.030 227 Q CA -0.336 55.347 55.803 -0.201 0.000 0.788 227 Q CB 1.400 30.206 28.738 0.114 0.000 1.266 227 Q HN 0.612 nan 8.270 nan 0.000 0.438 228 F N 1.878 121.928 119.950 0.166 0.000 2.532 228 F HA 0.463 4.989 4.527 -0.001 0.000 0.321 228 F C 0.300 176.238 175.800 0.230 0.000 1.089 228 F CA -0.936 57.137 58.000 0.121 0.000 0.926 228 F CB 1.628 40.610 39.000 -0.030 0.000 1.168 228 F HN 0.390 nan 8.300 nan 0.000 0.459 229 N N 1.616 120.538 118.700 0.369 0.000 2.524 229 N HA 0.227 4.966 4.740 -0.001 0.000 0.261 229 N C -0.772 174.899 175.510 0.269 0.000 0.998 229 N CA -0.284 52.941 53.050 0.291 0.000 0.915 229 N CB 1.007 39.614 38.487 0.201 0.000 1.187 229 N HN 0.518 nan 8.380 nan 0.000 0.507 230 D N 1.391 121.969 120.400 0.297 0.000 2.340 230 D HA 0.090 4.729 4.640 -0.001 0.000 0.217 230 D C 1.255 177.663 176.300 0.179 0.000 1.081 230 D CA 0.227 54.371 54.000 0.240 0.000 0.842 230 D CB 0.398 41.385 40.800 0.313 0.000 0.934 230 D HN 0.479 nan 8.370 nan 0.000 0.511 231 T N 0.510 115.159 114.554 0.158 0.000 2.701 231 T HA -0.236 4.113 4.350 -0.001 0.000 0.265 231 T C 1.283 176.036 174.700 0.089 0.000 1.032 231 T CA 1.420 63.587 62.100 0.112 0.000 1.158 231 T CB -0.001 68.923 68.868 0.093 0.000 0.854 231 T HN 0.304 nan 8.240 nan 0.000 0.463 232 E N 0.186 120.437 120.200 0.085 0.000 2.558 232 E HA 0.179 4.529 4.350 -0.001 0.000 0.205 232 E C -0.588 176.053 176.600 0.067 0.000 1.006 232 E CA -0.179 56.260 56.400 0.065 0.000 0.961 232 E CB 0.745 30.477 29.700 0.054 0.000 1.044 232 E HN 0.214 nan 8.360 nan 0.000 0.465 233 V N 3.473 123.438 119.914 0.085 0.000 2.488 233 V HA 0.120 4.240 4.120 -0.001 0.000 0.277 233 V C -2.025 174.112 176.094 0.072 0.000 1.046 233 V CA -1.525 60.824 62.300 0.082 0.000 0.986 233 V CB 0.555 32.439 31.823 0.101 0.000 0.989 233 V HN 0.062 nan 8.190 nan 0.000 0.475 234 P HA 0.227 nan 4.420 nan 0.000 0.270 234 P C -0.817 176.509 177.300 0.042 0.000 1.223 234 P CA -0.124 63.001 63.100 0.042 0.000 0.785 234 P CB 0.482 32.206 31.700 0.039 0.000 0.923 235 L N 2.232 123.460 121.223 0.007 0.000 2.313 235 L HA 0.454 4.793 4.340 -0.001 0.000 0.283 235 L C 0.257 177.073 176.870 -0.090 0.000 1.013 235 L CA -1.076 53.754 54.840 -0.016 0.000 0.816 235 L CB 1.450 43.498 42.059 -0.017 0.000 1.236 235 L HN 0.300 nan 8.230 nan 0.000 0.419 236 I N 2.895 123.372 120.570 -0.154 0.000 2.519 236 I HA 0.156 4.325 4.170 -0.001 0.000 0.287 236 I C -0.183 175.802 176.117 -0.220 0.000 1.047 236 I CA 0.515 61.635 61.300 -0.300 0.000 1.381 236 I CB 0.663 38.284 38.000 -0.632 0.000 1.417 236 I HN 0.563 nan 8.210 nan 0.000 0.540 237 E N 7.229 127.306 120.200 -0.205 0.000 2.234 237 E HA 0.432 4.782 4.350 -0.001 0.000 0.266 237 E C -1.798 174.728 176.600 -0.122 0.000 0.877 237 E CA -0.595 55.685 56.400 -0.199 0.000 0.758 237 E CB 1.964 31.576 29.700 -0.146 0.000 1.170 237 E HN 0.549 nan 8.360 nan 0.000 0.415 238 Y N -1.608 118.618 120.300 -0.123 0.000 2.571 238 Y HA 0.512 5.061 4.550 -0.001 0.000 0.341 238 Y C -0.483 175.347 175.900 -0.117 0.000 1.076 238 Y CA -1.295 56.733 58.100 -0.119 0.000 1.029 238 Y CB 0.732 39.134 38.460 -0.098 0.000 1.308 238 Y HN 0.180 nan 8.280 nan 0.000 0.461 239 S N 2.182 117.856 115.700 -0.042 0.000 2.572 239 S HA 0.359 4.828 4.470 -0.001 0.000 0.279 239 S C -1.228 173.214 174.600 -0.263 0.000 1.341 239 S CA -0.239 57.795 58.200 -0.277 0.000 1.043 239 S CB 0.259 63.108 63.200 -0.584 0.000 0.887 239 S HN 0.562 nan 8.310 nan 0.000 0.516 240 F N 2.357 122.050 119.950 -0.428 0.000 2.499 240 F HA 0.435 4.961 4.527 -0.001 0.000 0.333 240 F C -0.283 175.316 175.800 -0.336 0.000 1.138 240 F CA -0.987 56.841 58.000 -0.286 0.000 0.945 240 F CB 0.674 39.643 39.000 -0.052 0.000 1.181 240 F HN 0.605 nan 8.300 nan 0.000 0.435 241 Y N 2.753 122.829 120.300 -0.374 0.000 2.337 241 Y HA 0.111 4.660 4.550 -0.001 0.000 0.293 241 Y C 1.746 177.514 175.900 -0.220 0.000 1.123 241 Y CA 1.034 58.991 58.100 -0.238 0.000 1.201 241 Y CB -0.870 37.466 38.460 -0.206 0.000 1.011 241 Y HN 0.724 nan 8.280 nan 0.000 0.545 242 S N -0.442 115.036 115.700 -0.369 0.000 3.585 242 S HA -0.225 4.245 4.470 -0.001 0.000 0.638 242 S C -0.554 174.052 174.600 0.010 0.000 2.340 242 S CA 0.024 58.194 58.200 -0.050 0.000 2.517 242 S CB -1.088 62.219 63.200 0.179 0.000 0.329 242 S HN 0.479 nan 8.310 nan 0.000 1.795 243 D N 1.583 122.024 120.400 0.069 0.000 2.515 243 D HA 0.116 4.755 4.640 -0.001 0.000 0.232 243 D C 1.435 177.758 176.300 0.038 0.000 1.157 243 D CA 0.689 54.721 54.000 0.052 0.000 0.871 243 D CB 0.134 40.972 40.800 0.063 0.000 1.200 243 D HN 0.560 nan 8.370 nan 0.000 0.466 244 E N 0.328 120.542 120.200 0.023 0.000 2.147 244 E HA -0.239 4.110 4.350 -0.001 0.000 0.199 244 E C 1.541 178.151 176.600 0.016 0.000 1.005 244 E CA 1.548 57.954 56.400 0.011 0.000 0.810 244 E CB 0.098 29.800 29.700 0.004 0.000 0.736 244 E HN 0.490 nan 8.360 nan 0.000 0.460 245 S N 0.008 115.725 115.700 0.028 0.000 2.547 245 S HA -0.059 4.410 4.470 -0.001 0.000 0.235 245 S C 0.935 175.562 174.600 0.045 0.000 0.980 245 S CA 0.128 58.347 58.200 0.032 0.000 0.941 245 S CB -0.048 63.173 63.200 0.035 0.000 0.763 245 S HN 0.176 nan 8.310 nan 0.000 0.532 246 L N 2.033 123.289 121.223 0.056 0.000 2.281 246 L HA 0.235 4.574 4.340 -0.001 0.000 0.285 246 L C 1.443 178.353 176.870 0.067 0.000 1.074 246 L CA -0.223 54.665 54.840 0.080 0.000 0.817 246 L CB 1.457 43.577 42.059 0.101 0.000 1.168 246 L HN 0.308 nan 8.230 nan 0.000 0.434 247 Q N 4.062 123.918 119.800 0.093 0.000 2.123 247 Q HA -0.046 4.293 4.340 -0.001 0.000 0.196 247 Q C -0.712 175.247 176.000 -0.068 0.000 0.958 247 Q CA 1.098 56.919 55.803 0.030 0.000 0.841 247 Q CB 0.230 29.034 28.738 0.109 0.000 0.915 247 Q HN 0.590 nan 8.270 nan 0.000 0.455 248 Y N 0.874 121.194 120.300 0.032 0.000 2.341 248 Y HA 0.423 4.972 4.550 -0.001 0.000 0.338 248 Y C -2.123 173.805 175.900 0.046 0.000 0.965 248 Y CA -3.034 55.086 58.100 0.034 0.000 1.108 248 Y CB 1.371 39.842 38.460 0.018 0.000 1.180 248 Y HN 0.149 nan 8.280 nan 0.000 0.458 249 P HA 0.054 nan 4.420 nan 0.000 0.268 249 P C -0.646 176.704 177.300 0.084 0.000 1.205 249 P CA -0.369 62.804 63.100 0.122 0.000 0.771 249 P CB 0.716 32.492 31.700 0.127 0.000 0.858 250 K N 1.353 121.788 120.400 0.057 0.000 2.174 250 K HA 0.324 4.644 4.320 -0.001 0.000 0.275 250 K C -0.415 176.169 176.600 -0.027 0.000 1.015 250 K CA -0.284 56.027 56.287 0.040 0.000 0.933 250 K CB 0.519 33.073 32.500 0.090 0.000 1.025 250 K HN 0.369 nan 8.250 nan 0.000 0.463 251 T N 2.814 117.333 114.554 -0.059 0.000 2.767 251 T HA 0.245 4.594 4.350 -0.001 0.000 0.288 251 T C -0.363 174.230 174.700 -0.178 0.000 0.963 251 T CA -0.646 61.381 62.100 -0.122 0.000 1.019 251 T CB 1.093 69.900 68.868 -0.101 0.000 0.923 251 T HN 0.206 nan 8.240 nan 0.000 0.468 252 V N 4.698 124.412 119.914 -0.334 0.000 2.743 252 V HA 0.607 4.726 4.120 -0.001 0.000 0.301 252 V C 0.313 176.141 176.094 -0.443 0.000 1.057 252 V CA -0.708 61.336 62.300 -0.428 0.000 1.006 252 V CB 1.525 32.932 31.823 -0.692 0.000 1.024 252 V HN 0.738 nan 8.190 nan 0.000 0.473 253 R N 1.801 122.154 120.500 -0.246 0.000 2.515 253 R HA 0.722 5.061 4.340 -0.001 0.000 0.278 253 R C -2.141 174.144 176.300 -0.025 0.000 1.107 253 R CA -0.426 55.587 56.100 -0.145 0.000 0.945 253 R CB 2.363 32.608 30.300 -0.091 0.000 1.219 253 R HN 0.504 nan 8.270 nan 0.000 0.434 254 V N 3.412 123.321 119.914 -0.008 0.000 2.851 254 V HA 0.367 4.486 4.120 -0.001 0.000 0.307 254 V C -2.575 173.568 176.094 0.082 0.000 1.129 254 V CA -2.028 60.332 62.300 0.100 0.000 0.932 254 V CB 2.598 34.465 31.823 0.074 0.000 1.024 254 V HN 0.619 nan 8.190 nan 0.000 0.426 255 P HA 0.311 nan 4.420 nan 0.000 0.276 255 P C -1.543 175.842 177.300 0.140 0.000 1.243 255 P CA 0.106 63.294 63.100 0.146 0.000 0.768 255 P CB 0.028 31.849 31.700 0.201 0.000 0.856 256 Y N 5.696 125.954 120.300 -0.069 0.000 2.298 256 Y HA 0.390 4.940 4.550 -0.001 0.000 0.322 256 Y C -2.888 172.966 175.900 -0.076 0.000 1.138 256 Y CA -2.910 55.098 58.100 -0.153 0.000 1.127 256 Y CB 1.691 39.939 38.460 -0.354 0.000 1.178 256 Y HN 0.297 nan 8.280 nan 0.000 0.428 257 P HA 0.274 nan 4.420 nan 0.000 0.280 257 P C -0.785 176.547 177.300 0.053 0.000 1.300 257 P CA -0.117 62.991 63.100 0.013 0.000 0.785 257 P CB 0.828 32.511 31.700 -0.027 0.000 0.874 258 K N 1.891 122.409 120.400 0.196 0.000 2.118 258 K HA 0.544 4.863 4.320 -0.001 0.000 0.240 258 K C 0.499 177.192 176.600 0.154 0.000 1.035 258 K CA -0.766 55.670 56.287 0.248 0.000 0.899 258 K CB 0.536 33.198 32.500 0.269 0.000 1.085 258 K HN 0.391 nan 8.250 nan 0.000 0.498 259 A N 0.491 123.428 122.820 0.196 0.000 2.524 259 A HA 0.342 4.661 4.320 -0.001 0.000 0.250 259 A C 1.063 178.694 177.584 0.078 0.000 1.078 259 A CA 0.811 52.951 52.037 0.173 0.000 0.761 259 A CB -0.977 18.214 19.000 0.318 0.000 1.012 259 A HN 0.879 nan 8.150 nan 0.000 0.500 260 G N 0.663 109.492 108.800 0.049 0.000 2.162 260 G HA2 0.148 4.107 3.960 -0.001 0.000 0.260 260 G HA3 0.148 4.107 3.960 -0.001 0.000 0.260 260 G C 0.501 175.408 174.900 0.011 0.000 0.976 260 G CA 0.647 45.748 45.100 0.002 0.000 0.655 260 G HN 2.104 nan 8.290 nan 0.000 0.533 261 A N -0.801 122.039 122.820 0.034 0.000 2.261 261 A HA 0.850 5.169 4.320 -0.001 0.000 0.323 261 A C 0.650 178.252 177.584 0.029 0.000 1.107 261 A CA 0.009 52.066 52.037 0.034 0.000 0.883 261 A CB 1.188 20.221 19.000 0.055 0.000 1.251 261 A HN 1.139 nan 8.150 nan 0.000 0.502 262 V N 1.910 121.842 119.914 0.030 0.000 2.540 262 V HA -0.006 4.113 4.120 -0.001 0.000 0.297 262 V C 0.522 176.640 176.094 0.040 0.000 1.024 262 V CA 0.485 62.802 62.300 0.029 0.000 1.105 262 V CB -0.294 31.550 31.823 0.034 0.000 0.938 262 V HN 0.856 nan 8.190 nan 0.000 0.482 263 N N 6.017 124.738 118.700 0.036 0.000 2.489 263 N HA 0.474 5.213 4.740 -0.001 0.000 0.284 263 N C -2.472 173.090 175.510 0.088 0.000 1.158 263 N CA -1.331 51.754 53.050 0.059 0.000 0.965 263 N CB 1.497 40.015 38.487 0.051 0.000 1.195 263 N HN 0.470 nan 8.380 nan 0.000 0.506 264 P HA 0.044 nan 4.420 nan 0.000 0.272 264 P C -0.718 176.714 177.300 0.219 0.000 1.230 264 P CA -0.127 63.094 63.100 0.203 0.000 0.788 264 P CB 0.501 32.359 31.700 0.263 0.000 0.949 265 T N -1.948 112.730 114.554 0.207 0.000 2.943 265 T HA 0.570 4.919 4.350 -0.001 0.000 0.284 265 T C -0.239 174.605 174.700 0.239 0.000 1.015 265 T CA -0.848 61.346 62.100 0.157 0.000 1.042 265 T CB 1.530 70.459 68.868 0.103 0.000 1.055 265 T HN 0.343 nan 8.240 nan 0.000 0.500 266 V N 0.559 120.593 119.914 0.201 0.000 2.789 266 V HA 0.736 4.855 4.120 -0.001 0.000 0.311 266 V C -1.448 174.747 176.094 0.170 0.000 1.073 266 V CA -0.844 61.539 62.300 0.138 0.000 0.921 266 V CB 2.007 33.950 31.823 0.199 0.000 1.009 266 V HN 0.999 nan 8.190 nan 0.000 0.426 267 K N 4.563 125.009 120.400 0.076 0.000 2.426 267 K HA 0.534 4.853 4.320 -0.001 0.000 0.251 267 K C -1.984 174.652 176.600 0.059 0.000 0.941 267 K CA -0.515 55.829 56.287 0.095 0.000 0.808 267 K CB 2.692 35.279 32.500 0.146 0.000 1.265 267 K HN 0.570 nan 8.250 nan 0.000 0.432 268 F N 3.138 122.912 119.950 -0.294 0.000 2.449 268 F HA 0.518 5.045 4.527 -0.001 0.000 0.342 268 F C -1.410 173.972 175.800 -0.697 0.000 1.127 268 F CA -0.714 57.080 58.000 -0.343 0.000 0.975 268 F CB 0.632 39.493 39.000 -0.232 0.000 1.146 268 F HN 0.341 nan 8.300 nan 0.000 0.444 269 F N 4.210 123.410 119.950 -1.250 0.000 2.577 269 F HA 0.744 5.270 4.527 -0.001 0.000 0.318 269 F C -0.871 174.259 175.800 -1.118 0.000 1.065 269 F CA -1.346 56.039 58.000 -1.025 0.000 0.929 269 F CB 1.936 40.277 39.000 -1.098 0.000 1.237 269 F HN 0.075 nan 8.300 nan 0.000 0.468 270 V N 2.695 122.364 119.914 -0.408 0.000 2.531 270 V HA 0.616 4.735 4.120 -0.001 0.000 0.301 270 V C -0.710 175.449 176.094 0.109 0.000 1.034 270 V CA -0.788 61.365 62.300 -0.246 0.000 0.865 270 V CB 1.684 33.175 31.823 -0.553 0.000 0.995 270 V HN 0.570 nan 8.190 nan 0.000 0.424 271 V N 3.421 123.479 119.914 0.239 0.000 2.667 271 V HA 0.480 4.599 4.120 -0.001 0.000 0.308 271 V C -0.006 176.312 176.094 0.374 0.000 1.048 271 V CA -0.743 61.735 62.300 0.296 0.000 0.928 271 V CB 2.231 34.179 31.823 0.210 0.000 1.004 271 V HN 0.929 nan 8.190 nan 0.000 0.444 272 N N 2.174 121.071 118.700 0.329 0.000 2.414 272 N HA 0.117 4.857 4.740 -0.001 0.000 0.256 272 N C 0.625 176.131 175.510 -0.008 0.000 1.029 272 N CA 0.132 53.270 53.050 0.147 0.000 0.948 272 N CB 1.743 40.288 38.487 0.096 0.000 1.102 272 N HN 0.657 nan 8.380 nan 0.000 0.496 273 T N 1.774 116.291 114.554 -0.062 0.000 3.118 273 T HA 0.032 4.381 4.350 -0.001 0.000 0.260 273 T C 0.154 174.810 174.700 -0.072 0.000 1.139 273 T CA 0.634 62.718 62.100 -0.027 0.000 1.085 273 T CB 0.089 69.028 68.868 0.118 0.000 0.934 273 T HN 0.487 nan 8.240 nan 0.000 0.518 274 D N 0.608 120.933 120.400 -0.125 0.000 2.363 274 D HA 0.114 4.753 4.640 -0.001 0.000 0.214 274 D C 1.075 177.319 176.300 -0.093 0.000 1.093 274 D CA 0.180 54.116 54.000 -0.106 0.000 0.837 274 D CB 0.440 41.163 40.800 -0.127 0.000 0.948 274 D HN 0.421 nan 8.370 nan 0.000 0.507 275 S N -0.408 115.234 115.700 -0.097 0.000 2.711 275 S HA 0.298 4.768 4.470 -0.001 0.000 0.247 275 S C 0.388 174.922 174.600 -0.110 0.000 1.079 275 S CA -0.554 57.605 58.200 -0.068 0.000 1.050 275 S CB 0.052 63.244 63.200 -0.014 0.000 0.885 275 S HN -0.028 nan 8.310 nan 0.000 0.498 276 L N 1.897 122.979 121.223 -0.235 0.000 2.399 276 L HA 0.695 5.034 4.340 -0.001 0.000 0.266 276 L C 0.471 177.169 176.870 -0.286 0.000 1.114 276 L CA -0.242 54.355 54.840 -0.404 0.000 0.804 276 L CB 1.550 43.025 42.059 -0.974 0.000 1.146 276 L HN 0.400 nan 8.230 nan 0.000 0.451 277 S N -0.852 114.774 115.700 -0.123 0.000 2.588 277 S HA 0.393 4.863 4.470 -0.001 0.000 0.275 277 S C 0.380 175.156 174.600 0.293 0.000 1.130 277 S CA -0.200 58.062 58.200 0.103 0.000 0.855 277 S CB 1.840 65.082 63.200 0.070 0.000 1.116 277 S HN 0.601 nan 8.310 nan 0.000 0.472 278 S N 1.663 117.531 115.700 0.280 0.000 2.470 278 S HA 0.075 4.544 4.470 -0.001 0.000 0.222 278 S C 1.432 176.125 174.600 0.154 0.000 1.024 278 S CA 0.495 58.834 58.200 0.232 0.000 0.931 278 S CB -0.146 63.146 63.200 0.153 0.000 0.791 278 S HN 0.504 nan 8.310 nan 0.000 0.513 279 V N 1.747 121.733 119.914 0.120 0.000 2.878 279 V HA 0.105 4.224 4.120 -0.001 0.000 0.250 279 V C 0.648 176.790 176.094 0.080 0.000 1.075 279 V CA 1.076 63.428 62.300 0.086 0.000 1.096 279 V CB -0.093 31.769 31.823 0.064 0.000 0.724 279 V HN 0.452 nan 8.190 nan 0.000 0.467 280 T N 0.964 115.573 114.554 0.092 0.000 2.824 280 T HA 0.334 4.683 4.350 -0.001 0.000 0.280 280 T C -0.076 174.685 174.700 0.102 0.000 0.995 280 T CA -0.458 61.687 62.100 0.074 0.000 1.009 280 T CB 1.052 69.955 68.868 0.058 0.000 0.955 280 T HN 0.127 nan 8.240 nan 0.000 0.452 281 N N 1.638 120.389 118.700 0.086 0.000 2.453 281 N HA 0.338 5.077 4.740 -0.001 0.000 0.253 281 N C 0.214 175.792 175.510 0.112 0.000 1.252 281 N CA -0.186 52.942 53.050 0.130 0.000 0.917 281 N CB 0.623 39.150 38.487 0.067 0.000 1.117 281 N HN 0.806 nan 8.380 nan 0.000 0.442 282 A N 1.019 123.920 122.820 0.135 0.000 2.483 282 A HA 0.238 4.557 4.320 -0.001 0.000 0.238 282 A C 0.206 177.845 177.584 0.093 0.000 1.070 282 A CA 0.237 52.324 52.037 0.083 0.000 0.770 282 A CB 0.080 19.109 19.000 0.049 0.000 1.008 282 A HN 0.522 nan 8.150 nan 0.000 0.497 283 T N 2.451 117.063 114.554 0.096 0.000 2.772 283 T HA 0.464 4.813 4.350 -0.001 0.000 0.288 283 T C -0.179 174.617 174.700 0.161 0.000 0.994 283 T CA -0.075 62.096 62.100 0.119 0.000 0.951 283 T CB 0.643 69.582 68.868 0.117 0.000 0.933 283 T HN 0.571 nan 8.240 nan 0.000 0.447 284 S N 3.984 119.789 115.700 0.175 0.000 2.462 284 S HA 0.512 4.981 4.470 -0.001 0.000 0.294 284 S C -0.019 174.763 174.600 0.303 0.000 1.144 284 S CA -0.841 57.502 58.200 0.238 0.000 1.088 284 S CB 0.608 63.922 63.200 0.189 0.000 1.009 284 S HN 0.511 nan 8.310 nan 0.000 0.484 285 I N 3.269 124.009 120.570 0.284 0.000 2.312 285 I HA 0.281 4.450 4.170 -0.001 0.000 0.290 285 I C 0.503 176.668 176.117 0.079 0.000 1.008 285 I CA -0.322 61.121 61.300 0.238 0.000 1.226 285 I CB 0.895 39.102 38.000 0.346 0.000 1.371 285 I HN 0.695 nan 8.210 nan 0.000 0.468 286 Q N 6.548 126.316 119.800 -0.053 0.000 2.306 286 Q HA 0.512 4.851 4.340 -0.001 0.000 0.241 286 Q C -1.170 174.701 176.000 -0.215 0.000 0.948 286 Q CA -0.312 55.206 55.803 -0.475 0.000 0.886 286 Q CB 1.477 29.876 28.738 -0.565 0.000 1.227 286 Q HN 0.576 nan 8.270 nan 0.000 0.457 287 I N 3.194 123.643 120.570 -0.201 0.000 2.436 287 I HA 0.272 4.441 4.170 -0.001 0.000 0.289 287 I C -0.160 175.949 176.117 -0.014 0.000 1.010 287 I CA -0.920 60.370 61.300 -0.015 0.000 1.098 287 I CB 1.865 39.929 38.000 0.107 0.000 1.266 287 I HN 0.705 nan 8.210 nan 0.000 0.434 288 T N 2.377 116.898 114.554 -0.055 0.000 2.909 288 T HA 0.706 5.055 4.350 -0.001 0.000 0.286 288 T C 0.273 174.813 174.700 -0.268 0.000 1.002 288 T CA -0.731 61.291 62.100 -0.132 0.000 1.074 288 T CB 1.907 70.690 68.868 -0.140 0.000 0.984 288 T HN 0.648 nan 8.240 nan 0.000 0.495 289 A N 3.216 125.682 122.820 -0.590 0.000 2.366 289 A HA 0.601 4.920 4.320 -0.001 0.000 0.250 289 A C -2.278 174.870 177.584 -0.727 0.000 1.099 289 A CA -1.411 49.879 52.037 -1.246 0.000 0.794 289 A CB -0.874 16.903 19.000 -2.038 0.000 1.056 289 A HN 0.713 nan 8.150 nan 0.000 0.499 290 P HA 0.310 nan 4.420 nan 0.000 0.274 290 P C 0.586 177.665 177.300 -0.369 0.000 1.231 290 P CA 0.385 63.252 63.100 -0.388 0.000 0.790 290 P CB 0.835 32.362 31.700 -0.288 0.000 0.951 291 A N 2.014 124.688 122.820 -0.242 0.000 2.032 291 A HA -0.203 4.116 4.320 -0.001 0.000 0.221 291 A C 1.945 179.416 177.584 -0.187 0.000 1.165 291 A CA 2.309 54.227 52.037 -0.198 0.000 0.645 291 A CB -1.709 17.210 19.000 -0.135 0.000 0.807 291 A HN 0.622 nan 8.150 nan 0.000 0.453 292 S N -1.668 113.933 115.700 -0.165 0.000 2.515 292 S HA 0.017 4.486 4.470 -0.001 0.000 0.231 292 S C 1.638 176.133 174.600 -0.174 0.000 0.987 292 S CA 1.159 59.278 58.200 -0.135 0.000 0.936 292 S CB -0.164 63.022 63.200 -0.025 0.000 0.766 292 S HN 0.405 nan 8.310 nan 0.000 0.528 293 M N 0.299 119.731 119.600 -0.279 0.000 2.556 293 M HA 0.355 4.834 4.480 -0.001 0.000 0.264 293 M C 1.557 177.611 176.300 -0.409 0.000 1.163 293 M CA 0.480 55.556 55.300 -0.373 0.000 1.186 293 M CB -1.266 30.924 32.600 -0.683 0.000 1.321 293 M HN 0.309 nan 8.290 nan 0.000 0.485 294 L N 1.152 122.116 121.223 -0.433 0.000 2.447 294 L HA -0.100 4.239 4.340 -0.001 0.000 0.225 294 L C 2.111 178.903 176.870 -0.130 0.000 1.148 294 L CA 1.265 55.929 54.840 -0.293 0.000 0.808 294 L CB -1.026 40.880 42.059 -0.255 0.000 0.928 294 L HN 0.232 nan 8.230 nan 0.000 0.448 295 I N -1.535 118.957 120.570 -0.130 0.000 2.286 295 I HA -0.120 4.049 4.170 -0.001 0.000 0.248 295 I C 1.347 177.435 176.117 -0.048 0.000 1.115 295 I CA 1.022 62.269 61.300 -0.089 0.000 1.392 295 I CB -0.519 37.417 38.000 -0.107 0.000 1.065 295 I HN 0.374 nan 8.210 nan 0.000 0.418 296 G N -0.735 108.055 108.800 -0.017 0.000 2.782 296 G HA2 0.256 4.215 3.960 -0.001 0.000 0.304 296 G HA3 0.256 4.215 3.960 -0.001 0.000 0.304 296 G C -1.616 173.323 174.900 0.065 0.000 1.315 296 G CA -0.537 44.564 45.100 0.002 0.000 0.791 296 G HN -0.137 nan 8.290 nan 0.000 0.519 297 D N 0.700 121.082 120.400 -0.030 0.000 2.472 297 D HA 0.459 5.098 4.640 -0.001 0.000 0.237 297 D C 0.313 176.513 176.300 -0.167 0.000 1.141 297 D CA 0.981 54.891 54.000 -0.150 0.000 0.875 297 D CB 0.724 41.410 40.800 -0.190 0.000 1.192 297 D HN 0.612 nan 8.370 nan 0.000 0.450 298 H N -1.714 117.196 119.070 -0.267 0.000 2.948 298 H HA 0.583 5.138 4.556 -0.001 0.000 0.315 298 H C -1.546 173.604 175.328 -0.297 0.000 1.360 298 H CA -0.986 54.899 56.048 -0.272 0.000 1.125 298 H CB 0.490 30.218 29.762 -0.056 0.000 1.844 298 H HN 0.227 nan 8.280 nan 0.000 0.529 299 Y N -0.007 120.522 120.300 0.382 0.000 2.499 299 Y HA 0.307 4.856 4.550 -0.001 0.000 0.347 299 Y C -0.397 175.840 175.900 0.562 0.000 0.987 299 Y CA -1.326 57.011 58.100 0.395 0.000 1.044 299 Y CB 2.088 40.628 38.460 0.133 0.000 1.245 299 Y HN 0.633 nan 8.280 nan 0.000 0.461 300 L N 2.694 124.326 121.223 0.682 0.000 2.315 300 L HA 0.202 4.541 4.340 -0.001 0.000 0.283 300 L C -0.085 176.906 176.870 0.203 0.000 1.089 300 L CA 0.110 55.014 54.840 0.108 0.000 0.833 300 L CB 0.577 42.626 42.059 -0.016 0.000 1.170 300 L HN 0.990 nan 8.230 nan 0.000 0.442 301 C N 3.501 122.818 119.300 0.028 0.000 2.700 301 C HA 0.298 4.757 4.460 -0.001 0.000 0.297 301 C C 0.307 175.370 174.990 0.123 0.000 1.293 301 C CA 0.095 59.178 59.018 0.108 0.000 1.756 301 C CB -0.255 27.536 27.740 0.085 0.000 2.210 301 C HN 0.931 nan 8.230 nan 0.000 0.553 302 D N -1.500 118.839 120.400 -0.102 0.000 2.803 302 D HA 0.428 5.067 4.640 -0.001 0.000 0.218 302 D C -1.491 174.496 176.300 -0.523 0.000 1.245 302 D CA -0.057 53.820 54.000 -0.205 0.000 0.821 302 D CB 1.753 42.455 40.800 -0.164 0.000 1.626 302 D HN -0.129 nan 8.370 nan 0.000 0.487 303 V N 2.859 122.361 119.914 -0.687 0.000 2.398 303 V HA 0.468 4.587 4.120 -0.001 0.000 0.282 303 V C -0.498 175.143 176.094 -0.755 0.000 1.014 303 V CA -0.474 61.221 62.300 -1.010 0.000 0.838 303 V CB 1.665 32.395 31.823 -1.821 0.000 1.018 303 V HN 0.684 nan 8.190 nan 0.000 0.432 304 T N 3.835 118.068 114.554 -0.534 0.000 2.893 304 T HA 0.294 4.643 4.350 -0.001 0.000 0.324 304 T C -0.347 174.206 174.700 -0.245 0.000 1.082 304 T CA -0.387 61.548 62.100 -0.276 0.000 0.983 304 T CB 0.296 69.115 68.868 -0.082 0.000 1.005 304 T HN 0.540 nan 8.240 nan 0.000 0.475 305 W N 2.510 123.741 121.300 -0.115 0.000 2.476 305 W HA 0.233 4.892 4.660 -0.001 0.000 0.338 305 W C 1.287 177.698 176.519 -0.180 0.000 1.328 305 W CA -0.197 57.093 57.345 -0.093 0.000 1.300 305 W CB 0.304 29.786 29.460 0.037 0.000 1.252 305 W HN 0.818 nan 8.180 nan 0.000 0.568 306 A N 2.754 125.472 122.820 -0.170 0.000 1.871 306 A HA 0.124 4.443 4.320 -0.001 0.000 0.211 306 A C 1.144 178.683 177.584 -0.075 0.000 1.207 306 A CA 1.699 53.415 52.037 -0.534 0.000 0.620 306 A CB -0.357 18.021 19.000 -1.037 0.000 0.860 306 A HN 0.548 nan 8.150 nan 0.000 0.450 307 T N -5.654 108.957 114.554 0.095 0.000 2.590 307 T HA 0.332 4.682 4.350 -0.001 0.000 0.282 307 T C 0.329 175.194 174.700 0.276 0.000 0.989 307 T CA -0.208 61.989 62.100 0.161 0.000 1.091 307 T CB 0.557 69.503 68.868 0.129 0.000 1.460 307 T HN 0.000 nan 8.240 nan 0.000 0.499 308 Q N 0.392 120.322 119.800 0.216 0.000 2.224 308 Q HA 0.072 4.411 4.340 -0.001 0.000 0.203 308 Q C 0.931 177.172 176.000 0.401 0.000 0.970 308 Q CA 1.440 57.378 55.803 0.224 0.000 0.865 308 Q CB -0.059 28.778 28.738 0.165 0.000 0.922 308 Q HN 0.814 nan 8.270 nan 0.000 0.445 309 E N -0.067 120.363 120.200 0.383 0.000 2.758 309 E HA 0.200 4.549 4.350 -0.001 0.000 0.215 309 E C -0.148 176.715 176.600 0.439 0.000 0.985 309 E CA -0.178 56.463 56.400 0.401 0.000 1.102 309 E CB 1.014 30.867 29.700 0.256 0.000 1.042 309 E HN -0.032 nan 8.360 nan 0.000 0.480 310 R N 1.548 122.312 120.500 0.441 0.000 2.574 310 R HA 0.500 4.840 4.340 -0.001 0.000 0.288 310 R C -1.524 174.785 176.300 0.014 0.000 1.004 310 R CA -0.424 55.821 56.100 0.243 0.000 0.895 310 R CB 1.091 31.440 30.300 0.081 0.000 1.191 310 R HN -0.032 nan 8.270 nan 0.000 0.444 311 I N 1.518 121.923 120.570 -0.275 0.000 2.646 311 I HA 0.374 4.543 4.170 -0.001 0.000 0.299 311 I C -0.138 175.689 176.117 -0.482 0.000 1.036 311 I CA -0.930 59.949 61.300 -0.702 0.000 1.074 311 I CB 2.270 39.543 38.000 -1.212 0.000 1.258 311 I HN 0.443 nan 8.210 nan 0.000 0.430 312 S N 5.077 120.477 115.700 -0.499 0.000 2.549 312 S HA 0.793 5.262 4.470 -0.001 0.000 0.297 312 S C -0.820 173.465 174.600 -0.525 0.000 1.115 312 S CA -0.535 57.447 58.200 -0.363 0.000 1.059 312 S CB 0.831 63.913 63.200 -0.198 0.000 1.046 312 S HN 0.410 nan 8.310 nan 0.000 0.506 313 L N 3.323 124.256 121.223 -0.482 0.000 2.505 313 L HA 0.476 4.816 4.340 -0.001 0.000 0.266 313 L C -0.701 175.852 176.870 -0.529 0.000 0.954 313 L CA -0.502 53.919 54.840 -0.697 0.000 0.852 313 L CB 2.233 43.854 42.059 -0.731 0.000 1.282 313 L HN 0.586 nan 8.230 nan 0.000 0.403 314 Q N 1.597 121.056 119.800 -0.569 0.000 2.345 314 Q HA 0.561 4.900 4.340 -0.001 0.000 0.268 314 Q C -1.788 174.033 176.000 -0.298 0.000 1.054 314 Q CA -0.544 55.074 55.803 -0.309 0.000 0.835 314 Q CB 2.884 31.497 28.738 -0.207 0.000 1.339 314 Q HN 0.432 nan 8.270 nan 0.000 0.447 315 W N 1.837 123.113 121.300 -0.039 0.000 3.029 315 W HA 0.704 5.363 4.660 -0.002 0.000 0.339 315 W C -1.186 175.386 176.519 0.087 0.000 1.198 315 W CA -0.502 56.865 57.345 0.037 0.000 1.148 315 W CB 1.439 30.896 29.460 -0.004 0.000 1.451 315 W HN 0.328 nan 8.180 nan 0.000 0.564 316 L N 1.864 123.358 121.223 0.452 0.000 2.482 316 L HA 0.532 4.871 4.340 -0.001 0.000 0.263 316 L C -0.248 176.812 176.870 0.316 0.000 0.957 316 L CA -1.075 53.971 54.840 0.342 0.000 0.836 316 L CB 2.055 44.335 42.059 0.367 0.000 1.324 316 L HN 0.483 nan 8.230 nan 0.000 0.406 317 R N 1.456 122.102 120.500 0.244 0.000 2.582 317 R HA 0.173 4.512 4.340 -0.001 0.000 0.271 317 R C 0.937 177.284 176.300 0.079 0.000 1.078 317 R CA -0.129 56.050 56.100 0.132 0.000 1.127 317 R CB 1.054 31.419 30.300 0.109 0.000 1.038 317 R HN 0.554 nan 8.270 nan 0.000 0.500 318 R N 2.203 122.650 120.500 -0.088 0.000 2.091 318 R HA -0.081 4.258 4.340 -0.001 0.000 0.238 318 R C 0.393 176.729 176.300 0.060 0.000 1.136 318 R CA 1.407 57.443 56.100 -0.107 0.000 0.959 318 R CB -0.101 30.082 30.300 -0.194 0.000 0.856 318 R HN 0.542 nan 8.270 nan 0.000 0.437 319 I N 2.819 123.409 120.570 0.033 0.000 2.357 319 I HA -0.025 4.144 4.170 -0.001 0.000 0.300 319 I C 0.137 176.304 176.117 0.083 0.000 1.159 319 I CA 0.307 61.634 61.300 0.045 0.000 1.339 319 I CB 0.852 38.866 38.000 0.023 0.000 1.458 319 I HN 0.325 nan 8.210 nan 0.000 0.577 320 Q N 4.862 124.717 119.800 0.091 0.000 2.383 320 Q HA -0.058 4.281 4.340 -0.001 0.000 0.210 320 Q C 0.533 176.613 176.000 0.134 0.000 0.891 320 Q CA 0.011 55.890 55.803 0.126 0.000 0.985 320 Q CB -0.441 28.344 28.738 0.078 0.000 1.409 320 Q HN 0.657 nan 8.270 nan 0.000 0.391 321 N N -0.874 117.910 118.700 0.140 0.000 2.200 321 N HA -0.015 4.724 4.740 -0.001 0.000 0.224 321 N C -1.125 174.492 175.510 0.179 0.000 1.179 321 N CA -0.222 52.904 53.050 0.127 0.000 0.877 321 N CB 0.392 38.929 38.487 0.084 0.000 1.072 321 N HN 0.194 nan 8.380 nan 0.000 0.519 322 Y N 1.133 121.463 120.300 0.050 0.000 2.362 322 Y HA 0.560 5.109 4.550 -0.001 0.000 0.326 322 Y C -1.205 174.736 175.900 0.068 0.000 1.083 322 Y CA -0.853 57.275 58.100 0.045 0.000 1.073 322 Y CB 1.603 40.079 38.460 0.027 0.000 1.211 322 Y HN 0.161 nan 8.280 nan 0.000 0.433 323 S N 3.663 119.304 115.700 -0.099 0.000 2.569 323 S HA 0.890 5.359 4.470 -0.001 0.000 0.280 323 S C -1.812 172.739 174.600 -0.081 0.000 1.111 323 S CA -0.894 57.322 58.200 0.026 0.000 0.887 323 S CB 1.959 65.182 63.200 0.040 0.000 1.095 323 S HN 0.408 nan 8.310 nan 0.000 0.476 324 V N 2.465 122.419 119.914 0.067 0.000 2.487 324 V HA 0.484 4.603 4.120 -0.001 0.000 0.298 324 V C -0.429 175.721 176.094 0.094 0.000 1.028 324 V CA -0.602 61.729 62.300 0.052 0.000 0.860 324 V CB 1.620 33.498 31.823 0.090 0.000 0.991 324 V HN 1.020 nan 8.190 nan 0.000 0.427 325 M N 3.916 123.529 119.600 0.022 0.000 2.108 325 M HA 0.436 4.915 4.480 -0.001 0.000 0.354 325 M C -0.893 175.429 176.300 0.036 0.000 1.229 325 M CA -0.139 55.151 55.300 -0.017 0.000 1.081 325 M CB 0.638 33.165 32.600 -0.121 0.000 1.606 325 M HN 0.650 nan 8.290 nan 0.000 0.467 326 D N 4.416 124.837 120.400 0.035 0.000 2.228 326 D HA 0.587 5.226 4.640 -0.001 0.000 0.247 326 D C -0.948 175.337 176.300 -0.026 0.000 0.995 326 D CA -0.036 53.982 54.000 0.030 0.000 0.903 326 D CB 1.593 42.442 40.800 0.082 0.000 1.205 326 D HN 0.510 nan 8.370 nan 0.000 0.459 327 I N 1.660 122.230 120.570 -0.001 0.000 2.447 327 I HA 0.333 4.502 4.170 -0.001 0.000 0.287 327 I C -0.829 175.291 176.117 0.005 0.000 1.023 327 I CA -0.660 60.636 61.300 -0.006 0.000 1.083 327 I CB 1.473 39.516 38.000 0.072 0.000 1.245 327 I HN 0.200 nan 8.210 nan 0.000 0.434 328 c N 3.899 122.492 118.600 -0.013 0.000 2.455 328 c HA 0.602 5.171 4.570 -0.001 0.000 0.320 328 c C -0.482 173.774 174.090 0.276 0.000 1.226 328 c CA -0.674 55.719 56.329 0.106 0.000 1.569 328 c CB 1.497 44.051 42.510 0.074 0.000 2.200 328 c HN 0.595 nan 8.230 nan 0.000 0.491 329 D N 0.184 120.750 120.400 0.277 0.000 2.457 329 D HA 0.326 4.965 4.640 -0.001 0.000 0.240 329 D C -0.889 175.360 176.300 -0.086 0.000 1.041 329 D CA -0.280 53.824 54.000 0.174 0.000 0.861 329 D CB 1.253 42.085 40.800 0.053 0.000 1.394 329 D HN 0.558 nan 8.370 nan 0.000 0.473 330 Y N 1.277 121.156 120.300 -0.702 0.000 2.319 330 Y HA 0.228 4.777 4.550 -0.001 0.000 0.328 330 Y C -0.117 175.475 175.900 -0.514 0.000 1.133 330 Y CA -0.313 57.060 58.100 -1.212 0.000 1.265 330 Y CB 0.836 38.579 38.460 -1.195 0.000 1.218 330 Y HN 0.130 nan 8.280 nan 0.000 0.508 331 D N 5.475 125.294 120.400 -0.969 0.000 2.473 331 D HA 0.097 4.736 4.640 -0.001 0.000 0.226 331 D C 0.827 176.596 176.300 -0.885 0.000 1.089 331 D CA -0.072 53.533 54.000 -0.659 0.000 0.883 331 D CB 0.607 41.166 40.800 -0.402 0.000 1.029 331 D HN 0.894 nan 8.370 nan 0.000 0.517 332 E N 1.891 121.717 120.200 -0.623 0.000 2.136 332 E HA -0.310 4.039 4.350 -0.001 0.000 0.208 332 E C 1.525 177.958 176.600 -0.278 0.000 1.035 332 E CA 2.199 58.374 56.400 -0.375 0.000 0.838 332 E CB 0.301 29.957 29.700 -0.074 0.000 0.748 332 E HN 0.585 nan 8.360 nan 0.000 0.459 333 S N -0.097 115.475 115.700 -0.215 0.000 2.325 333 S HA -0.191 4.278 4.470 -0.001 0.000 0.213 333 S C 2.224 176.734 174.600 -0.151 0.000 1.031 333 S CA 1.688 59.807 58.200 -0.135 0.000 0.984 333 S CB -0.713 62.428 63.200 -0.098 0.000 0.939 333 S HN 0.339 nan 8.310 nan 0.000 0.438 334 S N 1.571 117.161 115.700 -0.183 0.000 2.387 334 S HA 0.062 4.531 4.470 -0.001 0.000 0.230 334 S C 1.909 176.413 174.600 -0.160 0.000 1.035 334 S CA 2.222 60.331 58.200 -0.151 0.000 1.014 334 S CB -1.529 61.580 63.200 -0.152 0.000 0.836 334 S HN 1.954 nan 8.310 nan 0.000 0.466 335 G N 0.853 109.456 108.800 -0.329 0.000 2.176 335 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.253 335 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.253 335 G C 0.274 175.074 174.900 -0.167 0.000 0.979 335 G CA 0.326 45.285 45.100 -0.235 0.000 0.641 335 G HN 0.683 nan 8.290 nan 0.000 0.530 336 R N -1.260 119.095 120.500 -0.243 0.000 2.541 336 R HA 0.566 4.905 4.340 -0.001 0.000 0.263 336 R C -0.581 175.558 176.300 -0.269 0.000 1.112 336 R CA -0.344 55.697 56.100 -0.099 0.000 1.170 336 R CB 0.555 30.837 30.300 -0.029 0.000 1.167 336 R HN 0.190 nan 8.270 nan 0.000 0.582 337 W N 0.251 121.568 121.300 0.028 0.000 2.532 337 W HA 0.374 5.033 4.660 -0.002 0.000 0.321 337 W C -0.167 176.343 176.519 -0.015 0.000 1.037 337 W CA -0.487 56.871 57.345 0.021 0.000 1.220 337 W CB 1.262 30.733 29.460 0.019 0.000 1.361 337 W HN 0.235 nan 8.180 nan 0.000 0.468 338 N N 2.420 121.213 118.700 0.155 0.000 2.314 338 N HA 0.435 5.174 4.740 -0.001 0.000 0.294 338 N C -1.597 173.960 175.510 0.077 0.000 1.029 338 N CA -0.443 52.654 53.050 0.079 0.000 0.845 338 N CB 1.845 40.338 38.487 0.010 0.000 1.321 338 N HN 0.257 nan 8.380 nan 0.000 0.481 339 c N 2.844 121.472 118.600 0.047 0.000 2.271 339 c HA 0.352 4.922 4.570 -0.001 0.000 0.323 339 c C 0.392 174.483 174.090 0.003 0.000 1.245 339 c CA -0.875 55.470 56.329 0.026 0.000 1.548 339 c CB -0.757 41.761 42.510 0.014 0.000 2.214 339 c HN 0.532 nan 8.230 nan 0.000 0.477 340 L N 4.328 125.554 121.223 0.005 0.000 2.385 340 L HA 0.146 4.485 4.340 -0.001 0.000 0.281 340 L C 1.261 178.118 176.870 -0.020 0.000 1.106 340 L CA 0.469 55.304 54.840 -0.009 0.000 0.856 340 L CB 0.869 42.926 42.059 -0.003 0.000 1.186 340 L HN 0.700 nan 8.230 nan 0.000 0.453 341 V N 4.307 124.203 119.914 -0.031 0.000 2.909 341 V HA -0.297 3.822 4.120 -0.001 0.000 0.265 341 V C 2.021 178.085 176.094 -0.051 0.000 1.128 341 V CA 1.724 63.999 62.300 -0.041 0.000 1.149 341 V CB -1.528 30.270 31.823 -0.043 0.000 0.725 341 V HN 0.922 nan 8.190 nan 0.000 0.511 342 A N 1.071 123.862 122.820 -0.048 0.000 2.095 342 A HA 0.016 4.335 4.320 -0.001 0.000 0.212 342 A C 2.269 179.798 177.584 -0.092 0.000 1.162 342 A CA 0.503 52.503 52.037 -0.063 0.000 0.753 342 A CB -0.153 18.820 19.000 -0.044 0.000 0.840 342 A HN 0.606 nan 8.150 nan 0.000 0.468 343 R N 0.131 120.590 120.500 -0.068 0.000 2.317 343 R HA 0.120 4.459 4.340 -0.001 0.000 0.208 343 R C -0.192 176.006 176.300 -0.170 0.000 0.914 343 R CA -0.131 55.917 56.100 -0.086 0.000 1.060 343 R CB -0.444 29.880 30.300 0.039 0.000 1.015 343 R HN 0.488 nan 8.270 nan 0.000 0.498 344 Q N 1.944 121.668 119.800 -0.127 0.000 2.269 344 Q HA -0.026 4.313 4.340 -0.001 0.000 0.300 344 Q C -0.899 174.984 176.000 -0.196 0.000 1.070 344 Q CA 0.871 56.619 55.803 -0.091 0.000 0.957 344 Q CB 0.393 29.095 28.738 -0.060 0.000 1.131 344 Q HN 0.332 nan 8.270 nan 0.000 0.377 345 H N 1.532 120.596 119.070 -0.011 0.000 2.499 345 H HA 0.531 5.086 4.556 -0.002 0.000 0.340 345 H C -0.488 174.798 175.328 -0.069 0.000 1.148 345 H CA -0.484 55.552 56.048 -0.021 0.000 1.215 345 H CB 1.210 30.947 29.762 -0.041 0.000 1.529 345 H HN 0.463 nan 8.280 nan 0.000 0.510 346 I N 1.444 122.047 120.570 0.054 0.000 2.689 346 I HA 0.292 4.462 4.170 -0.001 0.000 0.299 346 I C -0.615 175.444 176.117 -0.095 0.000 1.059 346 I CA -0.498 60.740 61.300 -0.102 0.000 1.055 346 I CB 2.048 39.957 38.000 -0.152 0.000 1.243 346 I HN 0.521 nan 8.210 nan 0.000 0.425 347 E N 6.464 126.541 120.200 -0.205 0.000 2.275 347 E HA 0.651 5.000 4.350 -0.001 0.000 0.270 347 E C -1.495 174.987 176.600 -0.196 0.000 0.882 347 E CA -0.683 55.641 56.400 -0.126 0.000 0.758 347 E CB 2.717 32.373 29.700 -0.072 0.000 1.195 347 E HN 0.439 nan 8.360 nan 0.000 0.419 348 M N 0.910 120.450 119.600 -0.101 0.000 2.575 348 M HA 0.422 4.901 4.480 -0.001 0.000 0.284 348 M C -0.654 175.636 176.300 -0.017 0.000 1.253 348 M CA -0.928 54.340 55.300 -0.053 0.000 0.861 348 M CB 2.493 35.093 32.600 0.001 0.000 1.733 348 M HN 0.274 nan 8.290 nan 0.000 0.462 349 S N -0.681 115.013 115.700 -0.010 0.000 2.500 349 S HA 0.482 4.951 4.470 -0.001 0.000 0.301 349 S C 0.086 174.659 174.600 -0.046 0.000 1.092 349 S CA -0.409 57.759 58.200 -0.053 0.000 1.030 349 S CB 1.845 64.962 63.200 -0.139 0.000 1.031 349 S HN 0.750 nan 8.310 nan 0.000 0.483 350 T N 2.015 116.540 114.554 -0.048 0.000 3.010 350 T HA 0.018 4.367 4.350 -0.001 0.000 0.252 350 T C 1.919 176.580 174.700 -0.064 0.000 1.047 350 T CA 1.555 63.635 62.100 -0.034 0.000 1.140 350 T CB -0.243 68.615 68.868 -0.016 0.000 0.885 350 T HN 0.842 nan 8.240 nan 0.000 0.464 351 T N -1.463 113.031 114.554 -0.100 0.000 3.054 351 T HA 0.468 4.817 4.350 -0.001 0.000 0.259 351 T C 1.093 175.577 174.700 -0.359 0.000 1.092 351 T CA 0.681 62.705 62.100 -0.127 0.000 1.121 351 T CB 0.331 69.197 68.868 -0.004 0.000 0.912 351 T HN 0.388 nan 8.240 nan 0.000 0.489 352 G N 0.174 108.593 108.800 -0.635 0.000 2.791 352 G HA2 0.494 4.453 3.960 -0.001 0.000 0.158 352 G HA3 0.494 4.453 3.960 -0.001 0.000 0.158 352 G C -1.563 173.100 174.900 -0.395 0.000 1.193 352 G CA -0.634 43.962 45.100 -0.839 0.000 1.032 352 G HN 0.511 nan 8.290 nan 0.000 0.557 353 W N -0.392 120.671 121.300 -0.395 0.000 2.353 353 W HA 0.777 5.436 4.660 -0.001 0.000 0.377 353 W C -0.469 175.996 176.519 -0.090 0.000 1.375 353 W CA -1.298 55.939 57.345 -0.180 0.000 1.503 353 W CB 0.744 30.096 29.460 -0.179 0.000 1.345 353 W HN 0.262 nan 8.180 nan 0.000 0.683 354 V N 2.748 122.775 119.914 0.189 0.000 2.427 354 V HA 0.679 4.798 4.120 -0.001 0.000 0.286 354 V C 0.757 176.934 176.094 0.139 0.000 1.034 354 V CA 0.361 62.708 62.300 0.079 0.000 0.893 354 V CB 0.178 32.045 31.823 0.074 0.000 0.982 354 V HN 1.234 nan 8.190 nan 0.000 0.452 355 G N 5.278 114.107 108.800 0.048 0.000 2.846 355 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.660 355 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.660 355 G C 0.419 175.400 174.900 0.135 0.000 1.464 355 G CA 0.294 45.446 45.100 0.085 0.000 0.891 355 G HN 0.700 nan 8.290 nan 0.000 0.552 356 R N -0.463 120.098 120.500 0.103 0.000 2.070 356 R HA 0.034 4.373 4.340 -0.001 0.000 0.232 356 R C 2.002 178.258 176.300 -0.072 0.000 1.138 356 R CA 2.267 58.370 56.100 0.006 0.000 0.936 356 R CB -0.148 30.140 30.300 -0.020 0.000 0.839 356 R HN 0.483 nan 8.270 nan 0.000 0.429 357 F N -0.589 119.521 119.950 0.266 0.000 2.728 357 F HA 0.294 4.820 4.527 -0.001 0.000 0.314 357 F C 0.345 176.213 175.800 0.113 0.000 1.094 357 F CA -0.425 57.683 58.000 0.179 0.000 1.217 357 F CB 0.709 39.799 39.000 0.150 0.000 1.056 357 F HN -0.046 nan 8.300 nan 0.000 0.577 358 R N -1.586 119.083 120.500 0.282 0.000 3.012 358 R HA 0.316 4.655 4.340 -0.001 0.000 0.287 358 R C -3.458 172.932 176.300 0.150 0.000 0.990 358 R CA -1.791 54.418 56.100 0.182 0.000 0.839 358 R CB -0.124 30.260 30.300 0.141 0.000 1.317 358 R HN -0.349 nan 8.270 nan 0.000 0.518 359 P HA 0.025 nan 4.420 nan 0.000 0.268 359 P C -0.117 177.217 177.300 0.056 0.000 1.204 359 P CA -0.055 63.082 63.100 0.061 0.000 0.768 359 P CB 0.894 32.609 31.700 0.024 0.000 0.842 360 S N 1.410 117.143 115.700 0.054 0.000 2.587 360 S HA 0.028 4.498 4.470 -0.001 0.000 0.260 360 S C 0.156 174.761 174.600 0.008 0.000 1.353 360 S CA -0.586 57.655 58.200 0.068 0.000 0.995 360 S CB 0.269 63.526 63.200 0.095 0.000 0.912 360 S HN 0.579 nan 8.310 nan 0.000 0.568 361 E N 1.169 121.394 120.200 0.042 0.000 2.283 361 E HA 0.386 4.735 4.350 -0.001 0.000 0.278 361 E C -2.632 173.925 176.600 -0.071 0.000 1.027 361 E CA -2.424 53.949 56.400 -0.046 0.000 0.843 361 E CB 0.637 30.327 29.700 -0.017 0.000 1.062 361 E HN 0.414 nan 8.360 nan 0.000 0.401 362 P HA 0.238 nan 4.420 nan 0.000 0.290 362 P C -1.514 175.580 177.300 -0.343 0.000 1.276 362 P CA -0.418 62.463 63.100 -0.365 0.000 0.808 362 P CB 0.745 31.973 31.700 -0.786 0.000 0.966 363 H N 1.977 120.992 119.070 -0.093 0.000 2.638 363 H HA 0.392 4.947 4.556 -0.001 0.000 0.303 363 H C -0.424 174.967 175.328 0.106 0.000 1.034 363 H CA -0.222 55.872 56.048 0.077 0.000 1.225 363 H CB -0.123 29.741 29.762 0.171 0.000 1.394 363 H HN 0.249 nan 8.280 nan 0.000 0.477 364 F N 1.675 121.812 119.950 0.312 0.000 2.412 364 F HA 0.146 4.672 4.527 -0.001 0.000 0.348 364 F C 1.267 177.261 175.800 0.323 0.000 1.102 364 F CA -0.719 57.474 58.000 0.321 0.000 1.196 364 F CB 0.819 39.946 39.000 0.211 0.000 1.144 364 F HN 0.417 nan 8.300 nan 0.000 0.541 365 T N 1.038 115.889 114.554 0.494 0.000 2.855 365 T HA 0.111 4.460 4.350 -0.001 0.000 0.314 365 T C 1.473 176.369 174.700 0.326 0.000 1.077 365 T CA -0.717 61.616 62.100 0.388 0.000 1.095 365 T CB 0.608 69.685 68.868 0.349 0.000 0.987 365 T HN 0.619 nan 8.240 nan 0.000 0.546 366 L N 1.159 122.527 121.223 0.242 0.000 2.051 366 L HA -0.192 4.147 4.340 -0.001 0.000 0.214 366 L C 2.368 179.342 176.870 0.174 0.000 1.076 366 L CA 2.258 57.213 54.840 0.192 0.000 0.758 366 L CB -0.722 41.425 42.059 0.146 0.000 0.890 366 L HN 0.874 nan 8.230 nan 0.000 0.433 367 D N -1.448 119.055 120.400 0.171 0.000 2.355 367 D HA 0.020 4.660 4.640 -0.001 0.000 0.218 367 D C 1.482 177.873 176.300 0.151 0.000 1.004 367 D CA 0.808 54.894 54.000 0.144 0.000 0.880 367 D CB -0.036 40.840 40.800 0.127 0.000 0.911 367 D HN 0.309 nan 8.370 nan 0.000 0.528 368 G N 0.458 109.379 108.800 0.201 0.000 2.179 368 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.260 368 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.260 368 G C 0.895 175.951 174.900 0.260 0.000 0.977 368 G CA 0.274 45.484 45.100 0.184 0.000 0.641 368 G HN 0.343 nan 8.290 nan 0.000 0.533 369 N N 0.661 119.501 118.700 0.235 0.000 2.398 369 N HA 0.248 4.988 4.740 -0.001 0.000 0.188 369 N C 0.710 176.319 175.510 0.165 0.000 1.122 369 N CA 1.170 54.333 53.050 0.188 0.000 0.866 369 N CB 0.404 38.964 38.487 0.122 0.000 0.970 369 N HN 1.090 nan 8.380 nan 0.000 0.462 370 S N -0.708 115.136 115.700 0.240 0.000 2.611 370 S HA 0.670 5.139 4.470 -0.001 0.000 0.270 370 S C -1.124 173.528 174.600 0.087 0.000 1.131 370 S CA -1.113 57.065 58.200 -0.037 0.000 0.826 370 S CB 1.165 64.277 63.200 -0.147 0.000 1.095 370 S HN 0.108 nan 8.310 nan 0.000 0.461 371 F N -1.763 118.039 119.950 -0.246 0.000 2.711 371 F HA 0.879 5.406 4.527 -0.001 0.000 0.313 371 F C -1.991 173.611 175.800 -0.330 0.000 1.141 371 F CA -1.522 56.272 58.000 -0.344 0.000 0.941 371 F CB 0.512 38.971 39.000 -0.900 0.000 1.349 371 F HN 0.646 nan 8.300 nan 0.000 0.464 372 Y N 0.645 121.124 120.300 0.298 0.000 2.485 372 Y HA 0.732 5.281 4.550 -0.001 0.000 0.345 372 Y C -0.298 175.779 175.900 0.294 0.000 0.998 372 Y CA -0.987 57.271 58.100 0.264 0.000 1.059 372 Y CB 2.394 40.948 38.460 0.156 0.000 1.234 372 Y HN 0.771 nan 8.280 nan 0.000 0.461 373 K N 2.080 122.726 120.400 0.410 0.000 2.578 373 K HA 0.491 4.810 4.320 -0.001 0.000 0.269 373 K C -1.998 174.743 176.600 0.235 0.000 0.941 373 K CA -0.569 55.889 56.287 0.286 0.000 0.847 373 K CB 1.732 34.344 32.500 0.186 0.000 1.397 373 K HN 0.735 nan 8.250 nan 0.000 0.422 374 I N 4.245 124.923 120.570 0.180 0.000 2.441 374 I HA 0.278 4.447 4.170 -0.001 0.000 0.287 374 I C -0.131 176.082 176.117 0.161 0.000 1.049 374 I CA -0.604 60.789 61.300 0.155 0.000 1.381 374 I CB 0.762 38.831 38.000 0.115 0.000 1.409 374 I HN 0.354 nan 8.210 nan 0.000 0.523 375 I N 4.391 125.088 120.570 0.213 0.000 2.686 375 I HA 0.198 4.367 4.170 -0.001 0.000 0.295 375 I C 0.124 176.370 176.117 0.215 0.000 1.114 375 I CA -0.550 60.880 61.300 0.217 0.000 1.038 375 I CB 1.991 40.157 38.000 0.276 0.000 1.238 375 I HN 0.454 nan 8.210 nan 0.000 0.420 376 S N 4.934 120.697 115.700 0.104 0.000 2.572 376 S HA 0.232 4.701 4.470 -0.001 0.000 0.279 376 S C 0.090 174.743 174.600 0.089 0.000 1.341 376 S CA -0.230 57.982 58.200 0.020 0.000 1.043 376 S CB 0.227 63.394 63.200 -0.055 0.000 0.887 376 S HN 0.834 nan 8.310 nan 0.000 0.516 377 N N 1.458 120.121 118.700 -0.063 0.000 2.725 377 N HA 0.296 5.035 4.740 -0.001 0.000 0.312 377 N C 0.759 176.212 175.510 -0.096 0.000 1.295 377 N CA -0.730 52.224 53.050 -0.160 0.000 0.914 377 N CB 0.489 38.533 38.487 -0.739 0.000 1.177 377 N HN 0.755 nan 8.380 nan 0.000 0.601 378 E N -0.345 119.797 120.200 -0.097 0.000 2.409 378 E HA -0.171 4.178 4.350 -0.001 0.000 0.198 378 E C 0.574 177.135 176.600 -0.065 0.000 1.024 378 E CA 1.097 57.465 56.400 -0.053 0.000 0.861 378 E CB 0.017 29.701 29.700 -0.026 0.000 0.788 378 E HN 0.636 nan 8.360 nan 0.000 0.521 379 E N -0.533 119.622 120.200 -0.074 0.000 2.472 379 E HA 0.154 4.503 4.350 -0.001 0.000 0.196 379 E C 0.862 177.421 176.600 -0.069 0.000 1.033 379 E CA 0.629 57.020 56.400 -0.015 0.000 0.886 379 E CB 0.910 30.647 29.700 0.061 0.000 0.944 379 E HN 0.448 nan 8.360 nan 0.000 0.492 380 G N -0.117 108.592 108.800 -0.152 0.000 2.144 380 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.218 380 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.218 380 G C -0.470 174.113 174.900 -0.527 0.000 0.988 380 G CA -0.320 44.583 45.100 -0.329 0.000 0.659 380 G HN 0.206 nan 8.290 nan 0.000 0.522 381 Y N 0.086 120.266 120.300 -0.201 0.000 2.409 381 Y HA 0.682 5.231 4.550 -0.001 0.000 0.339 381 Y C 1.033 176.791 175.900 -0.237 0.000 1.033 381 Y CA -0.927 57.037 58.100 -0.226 0.000 1.094 381 Y CB 1.204 39.528 38.460 -0.227 0.000 1.210 381 Y HN 0.046 nan 8.280 nan 0.000 0.456 382 R N 3.392 123.785 120.500 -0.179 0.000 2.216 382 R HA 0.308 4.648 4.340 -0.001 0.000 0.332 382 R C -0.800 175.235 176.300 -0.442 0.000 1.056 382 R CA -0.166 55.815 56.100 -0.198 0.000 0.901 382 R CB 0.219 30.440 30.300 -0.131 0.000 1.039 382 R HN 0.692 nan 8.270 nan 0.000 0.456 383 H N 1.861 120.894 119.070 -0.061 0.000 2.941 383 H HA 0.375 4.930 4.556 -0.001 0.000 0.344 383 H C -0.142 175.273 175.328 0.145 0.000 1.235 383 H CA -0.881 55.127 56.048 -0.067 0.000 1.149 383 H CB 1.643 31.246 29.762 -0.265 0.000 1.885 383 H HN 0.312 nan 8.280 nan 0.000 0.558 384 I N 1.164 121.854 120.570 0.200 0.000 2.395 384 I HA 0.095 4.264 4.170 -0.001 0.000 0.289 384 I C 0.276 176.479 176.117 0.144 0.000 1.023 384 I CA -0.067 61.311 61.300 0.130 0.000 1.350 384 I CB 0.656 38.634 38.000 -0.036 0.000 1.409 384 I HN 0.129 nan 8.210 nan 0.000 0.507 385 c N 6.592 125.208 118.600 0.027 0.000 2.411 385 c HA 0.433 5.003 4.570 -0.001 0.000 0.330 385 c C -0.362 173.633 174.090 -0.159 0.000 1.224 385 c CA -0.451 55.678 56.329 -0.334 0.000 1.770 385 c CB 1.115 43.285 42.510 -0.567 0.000 2.297 385 c HN 0.642 nan 8.230 nan 0.000 0.507 386 Y N 4.043 124.035 120.300 -0.513 0.000 2.335 386 Y HA 0.659 5.208 4.550 -0.002 0.000 0.339 386 Y C -1.157 174.264 175.900 -0.799 0.000 0.987 386 Y CA -0.991 56.767 58.100 -0.570 0.000 1.140 386 Y CB 0.258 38.460 38.460 -0.430 0.000 1.173 386 Y HN 0.593 nan 8.280 nan 0.000 0.486 387 F N 4.466 123.688 119.950 -1.214 0.000 2.458 387 F HA 0.492 5.018 4.527 -0.001 0.000 0.336 387 F C -0.079 174.889 175.800 -1.386 0.000 1.114 387 F CA -0.640 56.539 58.000 -1.370 0.000 0.987 387 F CB 1.773 39.568 39.000 -2.009 0.000 1.130 387 F HN 0.390 nan 8.300 nan 0.000 0.458 388 Q N 3.025 122.378 119.800 -0.745 0.000 2.274 388 Q HA 0.424 4.763 4.340 -0.001 0.000 0.260 388 Q C 0.974 176.867 176.000 -0.179 0.000 0.974 388 Q CA -0.662 54.850 55.803 -0.484 0.000 0.876 388 Q CB 2.676 31.180 28.738 -0.389 0.000 1.297 388 Q HN 0.738 nan 8.270 nan 0.000 0.446 389 I N 0.913 121.458 120.570 -0.042 0.000 2.226 389 I HA -0.228 3.941 4.170 -0.001 0.000 0.245 389 I C 0.562 176.770 176.117 0.152 0.000 1.100 389 I CA 1.423 62.810 61.300 0.145 0.000 1.374 389 I CB 0.128 38.252 38.000 0.208 0.000 1.057 389 I HN 0.669 nan 8.210 nan 0.000 0.413 390 D N 0.843 121.277 120.400 0.057 0.000 2.388 390 D HA 0.116 4.755 4.640 -0.001 0.000 0.221 390 D C 0.337 176.630 176.300 -0.011 0.000 1.133 390 D CA 0.263 54.274 54.000 0.020 0.000 0.831 390 D CB 0.555 41.360 40.800 0.008 0.000 0.962 390 D HN 0.272 nan 8.370 nan 0.000 0.502 391 K N 1.449 121.847 120.400 -0.003 0.000 2.203 391 K HA 0.256 4.575 4.320 -0.001 0.000 0.251 391 K C 0.235 176.827 176.600 -0.013 0.000 0.944 391 K CA -0.731 55.537 56.287 -0.031 0.000 0.829 391 K CB 2.312 34.770 32.500 -0.070 0.000 1.125 391 K HN -0.066 nan 8.250 nan 0.000 0.430 392 K N 1.766 122.144 120.400 -0.037 0.000 2.230 392 K HA 0.096 4.415 4.320 -0.001 0.000 0.253 392 K C -0.424 176.146 176.600 -0.050 0.000 1.008 392 K CA -0.359 55.911 56.287 -0.027 0.000 0.910 392 K CB 0.324 32.801 32.500 -0.038 0.000 0.994 392 K HN 0.543 nan 8.250 nan 0.000 0.495 393 D N -1.671 118.708 120.400 -0.035 0.000 4.556 393 D HA -0.221 4.418 4.640 -0.001 0.000 0.303 393 D C -0.408 175.689 176.300 -0.339 0.000 2.368 393 D CA 1.052 54.974 54.000 -0.130 0.000 1.145 393 D CB -0.984 39.733 40.800 -0.139 0.000 1.097 393 D HN 1.075 nan 8.370 nan 0.000 1.280 394 c N -2.912 115.356 118.600 -0.553 0.000 3.318 394 c HA 0.782 5.351 4.570 -0.001 0.000 0.322 394 c C -0.518 173.169 174.090 -0.671 0.000 1.398 394 c CA -0.534 55.222 56.329 -0.954 0.000 1.339 394 c CB 1.748 43.046 42.510 -2.020 0.000 1.668 394 c HN 0.660 nan 8.230 nan 0.000 0.462 395 T N 1.850 116.052 114.554 -0.586 0.000 2.779 395 T HA 0.545 4.894 4.350 -0.001 0.000 0.280 395 T C -0.730 173.738 174.700 -0.387 0.000 0.987 395 T CA 0.101 62.000 62.100 -0.335 0.000 0.966 395 T CB 0.486 69.304 68.868 -0.082 0.000 0.933 395 T HN 0.463 nan 8.240 nan 0.000 0.442 396 F N 3.504 123.344 119.950 -0.182 0.000 2.504 396 F HA 0.235 4.761 4.527 -0.002 0.000 0.369 396 F C 1.566 177.216 175.800 -0.251 0.000 1.082 396 F CA -1.008 56.873 58.000 -0.198 0.000 1.216 396 F CB 0.313 39.202 39.000 -0.186 0.000 1.108 396 F HN 0.564 nan 8.300 nan 0.000 0.554 397 I N -0.195 120.291 120.570 -0.140 0.000 4.018 397 I HA 0.259 4.429 4.170 -0.001 0.000 0.337 397 I C 0.071 176.084 176.117 -0.172 0.000 1.327 397 I CA 0.092 61.158 61.300 -0.390 0.000 1.100 397 I CB -0.033 37.388 38.000 -0.965 0.000 1.025 397 I HN 0.473 nan 8.210 nan 0.000 0.396 398 T N -0.179 114.303 114.554 -0.121 0.000 2.883 398 T HA 0.720 5.069 4.350 -0.001 0.000 0.301 398 T C -0.884 173.435 174.700 -0.635 0.000 1.158 398 T CA -0.741 61.266 62.100 -0.155 0.000 1.007 398 T CB 2.677 71.566 68.868 0.035 0.000 1.186 398 T HN 0.466 nan 8.240 nan 0.000 0.499 399 K N -0.095 119.685 120.400 -1.033 0.000 2.685 399 K HA 0.727 5.046 4.320 -0.001 0.000 0.290 399 K C -0.523 175.395 176.600 -1.136 0.000 1.018 399 K CA -0.957 54.370 56.287 -1.601 0.000 0.860 399 K CB 1.167 33.210 32.500 -0.762 0.000 1.498 399 K HN 1.664 nan 8.250 nan 0.000 0.390 400 G N -0.083 108.112 108.800 -1.010 0.000 2.361 400 G HA2 0.084 4.044 3.960 -0.001 0.000 0.331 400 G HA3 0.084 4.044 3.960 -0.001 0.000 0.331 400 G C -1.250 173.113 174.900 -0.896 0.000 1.324 400 G CA -0.776 43.901 45.100 -0.705 0.000 0.984 400 G HN 0.488 nan 8.290 nan 0.000 0.586 401 T N 2.486 116.658 114.554 -0.636 0.000 3.781 401 T HA 0.527 4.876 4.350 -0.001 0.000 0.286 401 T C -0.116 174.374 174.700 -0.351 0.000 1.277 401 T CA 0.847 62.407 62.100 -0.901 0.000 1.136 401 T CB -1.246 67.291 68.868 -0.551 0.000 1.202 401 T HN 0.946 nan 8.240 nan 0.000 0.884 402 W N 0.114 121.237 121.300 -0.295 0.000 2.988 402 W HA 0.454 5.113 4.660 -0.001 0.000 0.379 402 W C -1.654 174.833 176.519 -0.052 0.000 1.002 402 W CA -0.960 56.345 57.345 -0.066 0.000 1.053 402 W CB 0.595 30.015 29.460 -0.065 0.000 1.492 402 W HN 0.126 nan 8.180 nan 0.000 0.554 403 E N 0.723 121.135 120.200 0.352 0.000 2.367 403 E HA 0.478 4.827 4.350 -0.001 0.000 0.273 403 E C -1.248 175.482 176.600 0.216 0.000 0.903 403 E CA -1.160 55.257 56.400 0.029 0.000 0.764 403 E CB 3.374 33.106 29.700 0.053 0.000 1.252 403 E HN 0.179 nan 8.360 nan 0.000 0.446 404 V N 2.966 122.883 119.914 0.005 0.000 2.498 404 V HA 0.050 4.169 4.120 -0.001 0.000 0.279 404 V C 0.725 176.911 176.094 0.153 0.000 1.048 404 V CA 0.223 62.605 62.300 0.137 0.000 0.967 404 V CB 0.869 32.665 31.823 -0.045 0.000 0.988 404 V HN 0.658 nan 8.190 nan 0.000 0.473 405 I N 3.191 123.881 120.570 0.200 0.000 2.731 405 I HA 0.349 4.518 4.170 -0.001 0.000 0.260 405 I C 1.133 177.368 176.117 0.197 0.000 1.138 405 I CA 1.018 62.432 61.300 0.192 0.000 1.461 405 I CB -0.018 38.035 38.000 0.089 0.000 1.128 405 I HN 0.770 nan 8.210 nan 0.000 0.438 406 G N -0.196 108.723 108.800 0.198 0.000 2.667 406 G HA2 0.541 4.500 3.960 -0.001 0.000 0.294 406 G HA3 0.541 4.500 3.960 -0.001 0.000 0.294 406 G C -1.384 173.620 174.900 0.172 0.000 1.467 406 G CA -0.553 44.658 45.100 0.184 0.000 0.852 406 G HN -0.094 nan 8.290 nan 0.000 0.521 407 I N 1.293 121.890 120.570 0.045 0.000 2.353 407 I HA 0.324 4.493 4.170 -0.001 0.000 0.293 407 I C 0.470 176.532 176.117 -0.091 0.000 0.992 407 I CA -0.591 60.636 61.300 -0.122 0.000 1.268 407 I CB 1.928 39.599 38.000 -0.548 0.000 1.387 407 I HN 0.488 nan 8.210 nan 0.000 0.478 408 E N 4.486 124.698 120.200 0.020 0.000 2.399 408 E HA 0.392 4.741 4.350 -0.001 0.000 0.205 408 E C -0.095 176.483 176.600 -0.035 0.000 0.906 408 E CA 0.147 56.613 56.400 0.110 0.000 0.998 408 E CB 1.249 31.101 29.700 0.253 0.000 1.002 408 E HN 0.670 nan 8.360 nan 0.000 0.501 409 A N 0.784 123.483 122.820 -0.202 0.000 2.594 409 A HA 0.580 4.899 4.320 -0.001 0.000 0.296 409 A C -1.902 175.606 177.584 -0.126 0.000 1.056 409 A CA -0.610 51.219 52.037 -0.347 0.000 0.693 409 A CB 1.259 19.595 19.000 -1.107 0.000 1.278 409 A HN 0.047 nan 8.150 nan 0.000 0.408 410 L N 2.552 123.744 121.223 -0.052 0.000 2.476 410 L HA 0.772 5.111 4.340 -0.001 0.000 0.269 410 L C -0.446 176.461 176.870 0.061 0.000 0.965 410 L CA -0.018 54.833 54.840 0.018 0.000 0.845 410 L CB 1.905 43.993 42.059 0.050 0.000 1.259 410 L HN 1.160 nan 8.230 nan 0.000 0.403 411 T N -0.173 114.436 114.554 0.091 0.000 2.807 411 T HA 0.336 4.686 4.350 -0.001 0.000 0.277 411 T C 0.997 175.740 174.700 0.071 0.000 1.006 411 T CA -0.418 61.742 62.100 0.100 0.000 1.006 411 T CB 1.543 70.510 68.868 0.164 0.000 1.274 411 T HN 0.431 nan 8.240 nan 0.000 0.569 412 S N 0.460 116.197 115.700 0.060 0.000 2.400 412 S HA -0.095 4.374 4.470 -0.001 0.000 0.232 412 S C 1.028 175.591 174.600 -0.061 0.000 1.025 412 S CA 1.418 59.633 58.200 0.025 0.000 0.993 412 S CB -0.421 62.795 63.200 0.027 0.000 0.808 412 S HN 0.729 nan 8.310 nan 0.000 0.478 413 D N -1.618 118.709 120.400 -0.122 0.000 2.449 413 D HA 0.195 4.835 4.640 -0.001 0.000 0.210 413 D C -0.466 175.311 176.300 -0.872 0.000 1.094 413 D CA 0.324 54.058 54.000 -0.443 0.000 0.846 413 D CB 0.489 41.031 40.800 -0.430 0.000 1.003 413 D HN 0.357 nan 8.370 nan 0.000 0.504 414 Y N 0.166 120.423 120.300 -0.072 0.000 2.534 414 Y HA 0.444 4.993 4.550 -0.001 0.000 0.345 414 Y C -0.663 175.100 175.900 -0.228 0.000 1.031 414 Y CA -1.075 56.906 58.100 -0.199 0.000 1.022 414 Y CB 2.435 40.678 38.460 -0.362 0.000 1.292 414 Y HN -0.257 nan 8.280 nan 0.000 0.459 415 L N 2.654 123.791 121.223 -0.144 0.000 2.317 415 L HA 0.638 4.977 4.340 -0.001 0.000 0.281 415 L C -1.765 174.990 176.870 -0.192 0.000 1.024 415 L CA -0.563 54.170 54.840 -0.179 0.000 0.810 415 L CB 0.874 42.741 42.059 -0.319 0.000 1.240 415 L HN 0.599 nan 8.230 nan 0.000 0.427 416 Y N 4.451 124.678 120.300 -0.121 0.000 2.409 416 Y HA 0.602 5.152 4.550 -0.001 0.000 0.339 416 Y C -0.415 175.508 175.900 0.039 0.000 1.033 416 Y CA -0.425 57.610 58.100 -0.108 0.000 1.094 416 Y CB 1.530 39.806 38.460 -0.306 0.000 1.210 416 Y HN 0.570 nan 8.280 nan 0.000 0.456 417 Y N -0.331 120.041 120.300 0.120 0.000 2.764 417 Y HA 0.832 5.381 4.550 -0.001 0.000 0.331 417 Y C -2.083 173.916 175.900 0.165 0.000 1.280 417 Y CA -1.879 56.281 58.100 0.101 0.000 1.065 417 Y CB 1.278 39.770 38.460 0.052 0.000 1.319 417 Y HN 0.391 nan 8.280 nan 0.000 0.453 418 I N 2.381 123.147 120.570 0.328 0.000 2.582 418 I HA 0.661 4.830 4.170 -0.001 0.000 0.292 418 I C -0.946 175.380 176.117 0.347 0.000 1.066 418 I CA -0.620 60.808 61.300 0.214 0.000 1.053 418 I CB 2.342 40.413 38.000 0.119 0.000 1.241 418 I HN 0.912 nan 8.210 nan 0.000 0.421 419 S N 3.189 119.057 115.700 0.279 0.000 2.615 419 S HA 0.339 4.808 4.470 -0.001 0.000 0.269 419 S C -0.688 173.976 174.600 0.107 0.000 1.161 419 S CA -0.984 57.353 58.200 0.228 0.000 0.817 419 S CB 1.715 65.046 63.200 0.220 0.000 1.131 419 S HN 0.788 nan 8.310 nan 0.000 0.467 420 N N -0.605 118.137 118.700 0.070 0.000 2.376 420 N HA 0.169 4.908 4.740 -0.001 0.000 0.249 420 N C 0.758 176.235 175.510 -0.055 0.000 1.140 420 N CA -0.402 52.647 53.050 -0.001 0.000 0.870 420 N CB 0.395 38.869 38.487 -0.022 0.000 1.124 420 N HN 0.738 nan 8.380 nan 0.000 0.505 421 E N 0.673 120.705 120.200 -0.280 0.000 2.058 421 E HA -0.234 4.115 4.350 -0.001 0.000 0.194 421 E C -0.184 176.265 176.600 -0.251 0.000 0.997 421 E CA 0.667 56.670 56.400 -0.661 0.000 0.801 421 E CB -0.047 28.833 29.700 -1.366 0.000 0.746 421 E HN 0.451 nan 8.360 nan 0.000 0.450 422 Y N 1.875 122.070 120.300 -0.175 0.000 2.895 422 Y HA -0.199 4.350 4.550 -0.001 0.000 0.334 422 Y C 0.652 176.515 175.900 -0.062 0.000 1.261 422 Y CA 0.850 58.902 58.100 -0.080 0.000 1.560 422 Y CB 0.236 38.681 38.460 -0.024 0.000 1.253 422 Y HN 0.076 nan 8.280 nan 0.000 0.582 423 K N 3.443 123.480 120.400 -0.604 0.000 3.086 423 K HA -0.285 4.034 4.320 -0.001 0.000 0.288 423 K C 0.902 177.408 176.600 -0.158 0.000 1.127 423 K CA 1.010 57.039 56.287 -0.430 0.000 0.854 423 K CB -1.741 30.459 32.500 -0.499 0.000 1.213 423 K HN 1.323 nan 8.250 nan 0.000 0.456 424 G N 0.699 109.423 108.800 -0.126 0.000 2.225 424 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.267 424 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.267 424 G C 0.058 174.928 174.900 -0.051 0.000 1.024 424 G CA 0.750 45.826 45.100 -0.039 0.000 0.784 424 G HN 0.330 nan 8.290 nan 0.000 0.507 425 M N 0.313 119.825 119.600 -0.147 0.000 2.077 425 M HA 0.239 4.719 4.480 -0.001 0.000 0.348 425 M C -1.163 174.893 176.300 -0.407 0.000 1.252 425 M CA -1.953 53.120 55.300 -0.378 0.000 1.096 425 M CB 1.467 33.932 32.600 -0.225 0.000 1.568 425 M HN -0.111 nan 8.290 nan 0.000 0.456 426 P HA -0.036 nan 4.420 nan 0.000 0.223 426 P C 1.043 178.187 177.300 -0.259 0.000 1.151 426 P CA 0.908 63.790 63.100 -0.363 0.000 0.787 426 P CB 0.216 31.642 31.700 -0.456 0.000 0.788 427 G N -1.014 107.592 108.800 -0.324 0.000 3.337 427 G HA2 0.334 4.293 3.960 -0.001 0.000 0.246 427 G HA3 0.334 4.293 3.960 -0.001 0.000 0.246 427 G C 0.554 175.459 174.900 0.008 0.000 1.131 427 G CA -0.034 45.007 45.100 -0.099 0.000 0.773 427 G HN 0.361 nan 8.290 nan 0.000 0.544 428 G N -0.028 108.723 108.800 -0.082 0.000 2.434 428 G HA2 0.644 4.603 3.960 -0.001 0.000 0.330 428 G HA3 0.644 4.603 3.960 -0.001 0.000 0.330 428 G C -0.676 174.129 174.900 -0.159 0.000 1.155 428 G CA -0.787 44.299 45.100 -0.023 0.000 0.917 428 G HN 0.173 nan 8.290 nan 0.000 0.493 429 R N 1.180 121.535 120.500 -0.242 0.000 2.533 429 R HA 0.359 4.698 4.340 -0.001 0.000 0.288 429 R C -1.273 174.971 176.300 -0.094 0.000 1.039 429 R CA -0.816 55.111 56.100 -0.288 0.000 0.909 429 R CB 2.217 32.091 30.300 -0.710 0.000 1.195 429 R HN 0.548 nan 8.270 nan 0.000 0.438 430 N N 2.093 120.757 118.700 -0.060 0.000 2.284 430 N HA 0.323 5.062 4.740 -0.001 0.000 0.289 430 N C -1.079 174.210 175.510 -0.369 0.000 1.179 430 N CA -0.727 52.177 53.050 -0.244 0.000 0.774 430 N CB 2.626 40.841 38.487 -0.454 0.000 1.548 430 N HN 0.313 nan 8.380 nan 0.000 0.473 431 L N 2.330 123.208 121.223 -0.574 0.000 2.331 431 L HA 0.325 4.664 4.340 -0.001 0.000 0.278 431 L C -1.075 175.293 176.870 -0.837 0.000 1.106 431 L CA -0.020 54.508 54.840 -0.522 0.000 0.824 431 L CB -0.008 41.756 42.059 -0.491 0.000 1.142 431 L HN 0.523 nan 8.230 nan 0.000 0.443 432 Y N 3.821 123.760 120.300 -0.603 0.000 2.598 432 Y HA 0.479 5.028 4.550 -0.001 0.000 0.340 432 Y C -0.244 175.316 175.900 -0.567 0.000 1.038 432 Y CA -0.923 56.778 58.100 -0.665 0.000 1.100 432 Y CB 1.566 39.473 38.460 -0.921 0.000 1.281 432 Y HN 0.392 nan 8.280 nan 0.000 0.488 433 K N 2.251 122.504 120.400 -0.244 0.000 2.426 433 K HA 0.654 4.973 4.320 -0.001 0.000 0.254 433 K C -1.834 174.704 176.600 -0.103 0.000 0.936 433 K CA -0.375 55.690 56.287 -0.370 0.000 0.801 433 K CB 1.071 33.338 32.500 -0.389 0.000 1.139 433 K HN 0.688 nan 8.250 nan 0.000 0.424 434 I N 3.346 123.903 120.570 -0.021 0.000 2.436 434 I HA 0.197 4.366 4.170 -0.001 0.000 0.289 434 I C -0.045 176.154 176.117 0.138 0.000 1.010 434 I CA -0.797 60.576 61.300 0.122 0.000 1.098 434 I CB 2.008 40.103 38.000 0.158 0.000 1.266 434 I HN 0.476 nan 8.210 nan 0.000 0.434 435 Q N 4.919 124.792 119.800 0.123 0.000 2.296 435 Q HA 0.271 4.610 4.340 -0.001 0.000 0.262 435 Q C 0.677 176.622 176.000 -0.092 0.000 0.981 435 Q CA -0.119 55.654 55.803 -0.051 0.000 0.905 435 Q CB 1.343 30.066 28.738 -0.025 0.000 1.186 435 Q HN 0.702 nan 8.270 nan 0.000 0.399 436 L N 1.792 122.891 121.223 -0.206 0.000 2.313 436 L HA -0.105 4.234 4.340 -0.001 0.000 0.214 436 L C 2.202 178.866 176.870 -0.344 0.000 1.119 436 L CA 0.784 55.536 54.840 -0.147 0.000 0.809 436 L CB -0.187 41.795 42.059 -0.129 0.000 0.933 436 L HN 0.639 nan 8.230 nan 0.000 0.449 437 S N -1.846 113.676 115.700 -0.297 0.000 2.481 437 S HA -0.095 4.374 4.470 -0.001 0.000 0.231 437 S C 0.569 174.978 174.600 -0.318 0.000 0.996 437 S CA 0.489 58.521 58.200 -0.280 0.000 0.942 437 S CB -0.027 63.057 63.200 -0.193 0.000 0.768 437 S HN 0.411 nan 8.310 nan 0.000 0.520 438 D N -0.299 119.908 120.400 -0.322 0.000 2.362 438 D HA 0.174 4.813 4.640 -0.001 0.000 0.232 438 D C -0.513 175.701 176.300 -0.143 0.000 1.329 438 D CA -0.619 53.223 54.000 -0.264 0.000 0.944 438 D CB -0.264 40.454 40.800 -0.138 0.000 1.471 438 D HN 0.019 nan 8.370 nan 0.000 0.533 439 Y N 0.875 121.151 120.300 -0.040 0.000 2.651 439 Y HA -0.098 4.451 4.550 -0.001 0.000 0.293 439 Y C 2.436 178.337 175.900 0.002 0.000 1.151 439 Y CA 1.446 59.533 58.100 -0.022 0.000 1.362 439 Y CB -0.902 37.545 38.460 -0.022 0.000 0.973 439 Y HN 0.387 nan 8.280 nan 0.000 0.561 440 T N -3.151 111.467 114.554 0.106 0.000 3.113 440 T HA 0.045 4.394 4.350 -0.001 0.000 0.256 440 T C 0.659 175.401 174.700 0.071 0.000 1.131 440 T CA -0.033 62.116 62.100 0.081 0.000 1.074 440 T CB -0.111 68.783 68.868 0.044 0.000 0.944 440 T HN 0.103 nan 8.240 nan 0.000 0.516 441 K N 1.946 122.387 120.400 0.068 0.000 2.244 441 K HA 0.506 4.825 4.320 -0.001 0.000 0.263 441 K C -1.324 175.328 176.600 0.087 0.000 1.103 441 K CA -0.345 55.979 56.287 0.062 0.000 0.966 441 K CB 1.066 33.592 32.500 0.043 0.000 1.429 441 K HN 0.101 nan 8.250 nan 0.000 0.434 442 V N 2.269 122.236 119.914 0.088 0.000 2.459 442 V HA 0.302 4.422 4.120 -0.001 0.000 0.295 442 V C 0.008 176.148 176.094 0.078 0.000 1.029 442 V CA -0.710 61.653 62.300 0.105 0.000 0.874 442 V CB 1.922 33.821 31.823 0.127 0.000 0.985 442 V HN 0.561 nan 8.190 nan 0.000 0.438 443 T N 3.557 118.138 114.554 0.045 0.000 2.797 443 T HA 0.254 4.603 4.350 -0.001 0.000 0.279 443 T C -0.424 174.236 174.700 -0.067 0.000 0.991 443 T CA -0.214 61.877 62.100 -0.016 0.000 0.979 443 T CB 1.191 70.015 68.868 -0.072 0.000 0.943 443 T HN 0.801 nan 8.240 nan 0.000 0.444 444 C N 5.535 124.754 119.300 -0.134 0.000 2.394 444 C HA 0.415 4.874 4.460 -0.001 0.000 0.362 444 C C 1.728 176.456 174.990 -0.436 0.000 1.268 444 C CA -0.549 58.197 59.018 -0.453 0.000 1.828 444 C CB -1.735 25.713 27.740 -0.488 0.000 2.442 444 C HN 0.975 nan 8.230 nan 0.000 0.549 445 L N 4.537 125.444 121.223 -0.527 0.000 2.446 445 L HA 0.058 4.397 4.340 -0.001 0.000 0.219 445 L C 2.261 178.833 176.870 -0.496 0.000 1.116 445 L CA 1.134 55.731 54.840 -0.404 0.000 0.844 445 L CB -0.201 41.646 42.059 -0.353 0.000 0.970 445 L HN 0.898 nan 8.230 nan 0.000 0.457 446 S N -2.571 112.715 115.700 -0.689 0.000 2.613 446 S HA -0.055 4.414 4.470 -0.001 0.000 0.235 446 S C 1.991 176.217 174.600 -0.622 0.000 1.073 446 S CA 0.160 57.851 58.200 -0.848 0.000 0.899 446 S CB -0.355 62.020 63.200 -1.375 0.000 0.818 446 S HN 0.330 nan 8.310 nan 0.000 0.484 447 C N 2.885 121.777 119.300 -0.680 0.000 2.369 447 C HA -0.112 4.347 4.460 -0.001 0.000 0.273 447 C C 2.125 176.850 174.990 -0.442 0.000 1.172 447 C CA 1.485 60.019 59.018 -0.806 0.000 1.791 447 C CB -1.109 25.960 27.740 -1.118 0.000 2.086 447 C HN 0.664 nan 8.230 nan 0.000 0.459 448 E N -0.097 119.925 120.200 -0.297 0.000 2.558 448 E HA 0.197 4.546 4.350 -0.001 0.000 0.205 448 E C 1.589 178.148 176.600 -0.069 0.000 1.006 448 E CA -0.147 56.172 56.400 -0.135 0.000 0.961 448 E CB -0.009 29.634 29.700 -0.095 0.000 1.044 448 E HN 0.650 nan 8.360 nan 0.000 0.465 449 L N 0.642 121.825 121.223 -0.067 0.000 1.994 449 L HA -0.093 4.246 4.340 -0.001 0.000 0.208 449 L C 0.884 177.774 176.870 0.035 0.000 1.071 449 L CA 1.122 55.962 54.840 -0.001 0.000 0.745 449 L CB -0.150 41.926 42.059 0.029 0.000 0.892 449 L HN 0.077 nan 8.230 nan 0.000 0.431 450 N N -0.737 118.004 118.700 0.067 0.000 2.725 450 N HA 0.163 4.902 4.740 -0.001 0.000 0.248 450 N C -2.164 173.371 175.510 0.042 0.000 1.402 450 N CA -0.727 52.347 53.050 0.040 0.000 0.766 450 N CB 1.544 40.046 38.487 0.025 0.000 1.223 450 N HN -0.055 nan 8.380 nan 0.000 0.515 451 P HA -0.035 nan 4.420 nan 0.000 0.228 451 P C 0.677 178.017 177.300 0.065 0.000 1.151 451 P CA 1.252 64.394 63.100 0.070 0.000 0.770 451 P CB 0.624 32.373 31.700 0.082 0.000 0.786 452 E N -1.557 118.662 120.200 0.032 0.000 2.413 452 E HA 0.114 4.463 4.350 -0.001 0.000 0.203 452 E C 2.085 178.680 176.600 -0.008 0.000 0.957 452 E CA 0.039 56.451 56.400 0.020 0.000 0.950 452 E CB 0.014 29.722 29.700 0.012 0.000 0.957 452 E HN 0.022 nan 8.360 nan 0.000 0.497 453 R N -0.706 119.777 120.500 -0.029 0.000 2.206 453 R HA 0.204 4.543 4.340 -0.001 0.000 0.198 453 R C -0.348 175.889 176.300 -0.106 0.000 0.986 453 R CA 0.525 56.580 56.100 -0.074 0.000 1.029 453 R CB 0.447 30.696 30.300 -0.085 0.000 0.966 453 R HN 0.076 nan 8.270 nan 0.000 0.487 454 c N 0.931 119.477 118.600 -0.090 0.000 2.386 454 c HA 0.399 4.968 4.570 -0.001 0.000 0.318 454 c C 0.044 174.072 174.090 -0.102 0.000 1.128 454 c CA -0.584 55.621 56.329 -0.207 0.000 1.438 454 c CB 1.202 43.564 42.510 -0.246 0.000 1.987 454 c HN 0.515 nan 8.230 nan 0.000 0.426 455 Q N 0.719 120.471 119.800 -0.081 0.000 2.127 455 Q HA 0.234 4.573 4.340 -0.001 0.000 0.222 455 Q C -0.986 175.074 176.000 0.099 0.000 0.794 455 Q CA 0.066 55.912 55.803 0.072 0.000 1.010 455 Q CB 1.103 29.905 28.738 0.107 0.000 1.170 455 Q HN 0.776 nan 8.270 nan 0.000 0.479 456 Y N 0.216 120.397 120.300 -0.198 0.000 2.379 456 Y HA 0.313 4.862 4.550 -0.001 0.000 0.342 456 Y C -1.920 173.867 175.900 -0.188 0.000 1.126 456 Y CA -1.098 56.934 58.100 -0.114 0.000 1.310 456 Y CB 0.277 38.680 38.460 -0.095 0.000 1.115 456 Y HN -0.068 nan 8.280 nan 0.000 0.505 457 Y N 1.959 122.217 120.300 -0.069 0.000 2.602 457 Y HA 0.752 5.301 4.550 -0.001 0.000 0.330 457 Y C 0.640 176.504 175.900 -0.061 0.000 1.114 457 Y CA -0.435 57.636 58.100 -0.049 0.000 1.182 457 Y CB 2.128 40.518 38.460 -0.117 0.000 1.305 457 Y HN 0.467 nan 8.280 nan 0.000 0.502 458 S N -0.168 115.634 115.700 0.171 0.000 2.811 458 S HA 0.882 5.351 4.470 -0.001 0.000 0.311 458 S C -1.485 173.178 174.600 0.105 0.000 1.152 458 S CA -0.740 57.531 58.200 0.119 0.000 0.864 458 S CB 1.850 65.132 63.200 0.137 0.000 1.226 458 S HN 0.613 nan 8.310 nan 0.000 0.541 459 V N -0.138 119.833 119.914 0.095 0.000 3.204 459 V HA 0.817 4.936 4.120 -0.001 0.000 0.298 459 V C -1.599 174.560 176.094 0.107 0.000 1.328 459 V CA -0.058 62.264 62.300 0.036 0.000 1.035 459 V CB 2.277 34.022 31.823 -0.130 0.000 1.095 459 V HN 1.265 nan 8.190 nan 0.000 0.442 460 S N 4.012 119.772 115.700 0.099 0.000 2.496 460 S HA 0.586 5.055 4.470 -0.001 0.000 0.221 460 S C -1.067 173.727 174.600 0.324 0.000 1.260 460 S CA -0.390 57.983 58.200 0.288 0.000 1.181 460 S CB 0.108 63.531 63.200 0.371 0.000 1.136 460 S HN 0.480 nan 8.310 nan 0.000 0.467 461 F N 3.207 123.242 119.950 0.141 0.000 2.459 461 F HA 0.354 4.880 4.527 -0.001 0.000 0.346 461 F C 1.591 177.063 175.800 -0.547 0.000 1.128 461 F CA 0.023 57.958 58.000 -0.108 0.000 1.268 461 F CB 0.952 39.834 39.000 -0.198 0.000 1.161 461 F HN 0.601 nan 8.300 nan 0.000 0.583 462 S N 1.850 116.954 115.700 -0.994 0.000 2.617 462 S HA 0.247 4.716 4.470 -0.001 0.000 0.259 462 S C -0.425 173.938 174.600 -0.395 0.000 1.301 462 S CA -1.145 56.185 58.200 -1.450 0.000 0.984 462 S CB 0.369 62.739 63.200 -1.384 0.000 0.954 462 S HN 0.480 nan 8.310 nan 0.000 0.572 463 K N 1.420 121.729 120.400 -0.153 0.000 2.436 463 K HA 0.068 4.387 4.320 -0.001 0.000 0.282 463 K C 0.246 176.840 176.600 -0.010 0.000 1.044 463 K CA 0.167 56.460 56.287 0.009 0.000 1.028 463 K CB 0.054 32.613 32.500 0.099 0.000 0.919 463 K HN 0.722 nan 8.250 nan 0.000 0.474 464 E N 1.041 121.239 120.200 -0.004 0.000 4.155 464 E HA -0.279 4.070 4.350 -0.001 0.000 0.367 464 E C 0.142 176.709 176.600 -0.056 0.000 0.631 464 E CA 1.026 57.420 56.400 -0.010 0.000 1.351 464 E CB -1.174 28.530 29.700 0.007 0.000 1.759 464 E HN 0.947 nan 8.360 nan 0.000 0.401 465 A N -0.323 122.443 122.820 -0.090 0.000 2.899 465 A HA -0.294 4.025 4.320 -0.001 0.000 0.257 465 A C 1.181 178.716 177.584 -0.081 0.000 1.335 465 A CA 1.970 53.961 52.037 -0.077 0.000 0.924 465 A CB -1.336 17.546 19.000 -0.196 0.000 1.105 465 A HN 0.162 nan 8.150 nan 0.000 0.765 466 K N -1.463 118.812 120.400 -0.208 0.000 2.486 466 K HA 0.175 4.495 4.320 -0.001 0.000 0.194 466 K C -0.225 175.943 176.600 -0.719 0.000 1.033 466 K CA 0.976 56.998 56.287 -0.440 0.000 1.004 466 K CB -0.171 31.986 32.500 -0.571 0.000 0.798 466 K HN 0.741 nan 8.250 nan 0.000 0.495 467 Y N -0.468 119.793 120.300 -0.064 0.000 2.562 467 Y HA 0.325 4.874 4.550 -0.001 0.000 0.345 467 Y C -0.558 175.304 175.900 -0.063 0.000 1.045 467 Y CA -2.031 56.025 58.100 -0.072 0.000 1.028 467 Y CB 1.500 39.926 38.460 -0.055 0.000 1.297 467 Y HN 0.023 nan 8.280 nan 0.000 0.463 468 Y N -0.701 119.652 120.300 0.089 0.000 2.544 468 Y HA 0.585 5.134 4.550 -0.001 0.000 0.342 468 Y C -1.213 174.769 175.900 0.135 0.000 1.062 468 Y CA -1.402 56.629 58.100 -0.115 0.000 1.023 468 Y CB 1.711 39.611 38.460 -0.932 0.000 1.308 468 Y HN 0.608 nan 8.280 nan 0.000 0.457 469 Q N 4.055 124.045 119.800 0.316 0.000 2.314 469 Q HA 0.548 4.888 4.340 -0.001 0.000 0.259 469 Q C -1.811 174.312 176.000 0.204 0.000 0.951 469 Q CA -0.638 55.295 55.803 0.217 0.000 0.909 469 Q CB 1.243 30.061 28.738 0.133 0.000 1.236 469 Q HN 0.967 nan 8.270 nan 0.000 0.444 470 L N 3.980 125.345 121.223 0.237 0.000 2.343 470 L HA 0.549 4.888 4.340 -0.001 0.000 0.275 470 L C -0.359 176.613 176.870 0.169 0.000 1.056 470 L CA -0.641 54.320 54.840 0.201 0.000 0.804 470 L CB 1.211 43.385 42.059 0.192 0.000 1.203 470 L HN 0.685 nan 8.230 nan 0.000 0.440 471 R N 2.433 123.002 120.500 0.115 0.000 2.539 471 R HA 0.399 4.738 4.340 -0.001 0.000 0.295 471 R C -1.078 175.108 176.300 -0.190 0.000 1.138 471 R CA -0.569 55.433 56.100 -0.164 0.000 0.936 471 R CB 0.716 30.951 30.300 -0.110 0.000 1.182 471 R HN 0.605 nan 8.270 nan 0.000 0.459 472 c N 2.386 120.763 118.600 -0.371 0.000 2.388 472 c HA 0.615 5.184 4.570 -0.001 0.000 0.362 472 c C 0.457 174.332 174.090 -0.360 0.000 1.266 472 c CA -0.266 55.735 56.329 -0.547 0.000 2.028 472 c CB 1.151 43.135 42.510 -0.877 0.000 2.440 472 c HN 0.953 nan 8.230 nan 0.000 0.547 473 S N 2.528 118.099 115.700 -0.215 0.000 2.539 473 S HA 0.554 5.023 4.470 -0.001 0.000 0.221 473 S C 0.585 175.116 174.600 -0.115 0.000 0.987 473 S CA 0.480 58.592 58.200 -0.148 0.000 0.929 473 S CB 0.168 63.291 63.200 -0.129 0.000 0.832 473 S HN 1.503 nan 8.310 nan 0.000 0.492 474 G N 1.244 109.964 108.800 -0.132 0.000 2.320 474 G HA2 0.248 4.207 3.960 -0.001 0.000 0.297 474 G HA3 0.248 4.207 3.960 -0.001 0.000 0.297 474 G C -3.047 171.813 174.900 -0.066 0.000 1.344 474 G CA -0.724 44.335 45.100 -0.069 0.000 0.851 474 G HN -0.189 nan 8.290 nan 0.000 0.567 475 P HA 0.100 nan 4.420 nan 0.000 0.220 475 P C 1.496 178.783 177.300 -0.021 0.000 1.148 475 P CA 1.637 64.747 63.100 0.016 0.000 0.803 475 P CB 0.093 31.803 31.700 0.016 0.000 0.782 476 G N -0.597 108.121 108.800 -0.135 0.000 2.553 476 G HA2 0.333 4.293 3.960 -0.001 0.000 0.278 476 G HA3 0.333 4.293 3.960 -0.001 0.000 0.278 476 G C -0.441 174.177 174.900 -0.472 0.000 1.349 476 G CA -0.628 44.301 45.100 -0.286 0.000 1.037 476 G HN 0.022 nan 8.290 nan 0.000 0.508 477 L N 0.909 121.797 121.223 -0.558 0.000 2.456 477 L HA 0.184 4.523 4.340 -0.001 0.000 0.272 477 L C -1.923 174.791 176.870 -0.261 0.000 1.189 477 L CA -1.359 53.166 54.840 -0.525 0.000 0.846 477 L CB 0.766 42.592 42.059 -0.389 0.000 1.111 477 L HN 0.236 nan 8.230 nan 0.000 0.475 478 P HA 0.029 nan 4.420 nan 0.000 0.263 478 P C -0.901 176.315 177.300 -0.140 0.000 1.195 478 P CA 0.175 63.174 63.100 -0.169 0.000 0.762 478 P CB 0.449 32.110 31.700 -0.064 0.000 0.799 479 L N 5.441 126.520 121.223 -0.240 0.000 2.356 479 L HA 0.447 4.786 4.340 -0.001 0.000 0.277 479 L C -1.359 175.383 176.870 -0.215 0.000 0.996 479 L CA -0.800 53.963 54.840 -0.127 0.000 0.822 479 L CB 1.076 43.075 42.059 -0.100 0.000 1.256 479 L HN 0.376 nan 8.230 nan 0.000 0.413 480 Y N 2.596 122.866 120.300 -0.050 0.000 2.345 480 Y HA 0.435 4.984 4.550 -0.001 0.000 0.331 480 Y C 0.651 176.476 175.900 -0.125 0.000 0.959 480 Y CA -0.537 57.525 58.100 -0.063 0.000 1.204 480 Y CB 1.940 40.336 38.460 -0.107 0.000 1.135 480 Y HN 0.569 nan 8.280 nan 0.000 0.477 481 T N 1.677 116.277 114.554 0.076 0.000 2.924 481 T HA 0.670 5.019 4.350 -0.001 0.000 0.291 481 T C -1.123 173.522 174.700 -0.092 0.000 1.045 481 T CA -0.929 61.138 62.100 -0.056 0.000 1.015 481 T CB 1.898 70.748 68.868 -0.030 0.000 1.103 481 T HN 0.471 nan 8.240 nan 0.000 0.496 482 L N 1.636 122.653 121.223 -0.343 0.000 2.334 482 L HA 0.674 5.014 4.340 -0.001 0.000 0.273 482 L C -1.131 175.389 176.870 -0.584 0.000 1.013 482 L CA -0.632 54.066 54.840 -0.237 0.000 0.816 482 L CB 1.708 43.664 42.059 -0.171 0.000 1.278 482 L HN 0.964 nan 8.230 nan 0.000 0.431 483 H N 0.077 118.947 119.070 -0.333 0.000 3.008 483 H HA 0.385 4.940 4.556 -0.001 0.000 0.354 483 H C -0.657 174.491 175.328 -0.300 0.000 1.252 483 H CA -0.716 55.047 56.048 -0.476 0.000 1.117 483 H CB 1.842 31.005 29.762 -0.998 0.000 1.857 483 H HN 0.422 nan 8.280 nan 0.000 0.547 484 S N 0.024 115.715 115.700 -0.016 0.000 2.474 484 S HA 0.254 4.723 4.470 -0.001 0.000 0.321 484 S C 0.265 174.887 174.600 0.036 0.000 1.080 484 S CA -0.634 57.625 58.200 0.098 0.000 1.106 484 S CB 1.256 64.545 63.200 0.148 0.000 0.984 484 S HN 0.578 nan 8.310 nan 0.000 0.464 485 S N 3.066 118.816 115.700 0.084 0.000 2.465 485 S HA -0.110 4.359 4.470 -0.001 0.000 0.241 485 S C 1.892 176.543 174.600 0.085 0.000 1.000 485 S CA 1.054 59.384 58.200 0.217 0.000 0.964 485 S CB -0.634 62.701 63.200 0.225 0.000 0.763 485 S HN 0.668 nan 8.310 nan 0.000 0.512 486 V N 2.106 122.026 119.914 0.011 0.000 2.222 486 V HA -0.246 3.873 4.120 -0.001 0.000 0.252 486 V C 0.326 176.431 176.094 0.019 0.000 1.060 486 V CA 1.822 64.126 62.300 0.007 0.000 1.027 486 V CB -0.757 31.061 31.823 -0.008 0.000 0.644 486 V HN 0.580 nan 8.190 nan 0.000 0.448 487 N N -0.929 117.785 118.700 0.022 0.000 2.690 487 N HA 0.337 5.076 4.740 -0.001 0.000 0.255 487 N C -1.189 174.337 175.510 0.028 0.000 1.195 487 N CA -0.328 52.732 53.050 0.017 0.000 0.790 487 N CB 0.583 39.079 38.487 0.015 0.000 1.216 487 N HN 0.272 nan 8.380 nan 0.000 0.528 488 D N 1.241 121.668 120.400 0.045 0.000 5.359 488 D HA -0.219 4.420 4.640 -0.001 0.000 0.228 488 D C 0.003 176.340 176.300 0.063 0.000 1.123 488 D CA 1.051 55.105 54.000 0.090 0.000 1.587 488 D CB 0.057 40.926 40.800 0.115 0.000 1.380 488 D HN 0.394 nan 8.370 nan 0.000 0.736 489 K N 0.846 121.272 120.400 0.043 0.000 2.249 489 K HA 0.376 4.695 4.320 -0.001 0.000 0.280 489 K C 0.623 177.232 176.600 0.015 0.000 1.033 489 K CA -0.628 55.675 56.287 0.026 0.000 0.946 489 K CB 0.895 33.401 32.500 0.010 0.000 1.005 489 K HN 0.270 nan 8.250 nan 0.000 0.469 490 G N 3.524 112.317 108.800 -0.011 0.000 2.403 490 G HA2 0.240 4.199 3.960 -0.001 0.000 0.259 490 G HA3 0.240 4.199 3.960 -0.001 0.000 0.259 490 G C 0.496 175.271 174.900 -0.208 0.000 1.244 490 G CA -0.456 44.523 45.100 -0.201 0.000 0.849 490 G HN 0.669 nan 8.290 nan 0.000 0.532 491 L N 1.268 122.309 121.223 -0.304 0.000 2.356 491 L HA 0.427 4.766 4.340 -0.001 0.000 0.193 491 L C 1.375 178.147 176.870 -0.163 0.000 1.087 491 L CA 0.389 55.121 54.840 -0.180 0.000 0.817 491 L CB 0.063 42.031 42.059 -0.151 0.000 1.035 491 L HN 0.391 nan 8.230 nan 0.000 0.482 492 R N -1.265 119.109 120.500 -0.210 0.000 2.764 492 R HA 0.557 4.896 4.340 -0.001 0.000 0.270 492 R C -1.436 174.745 176.300 -0.198 0.000 1.014 492 R CA -0.744 55.259 56.100 -0.162 0.000 0.904 492 R CB 2.728 32.947 30.300 -0.134 0.000 1.236 492 R HN -0.264 nan 8.270 nan 0.000 0.466 493 V N 2.699 122.521 119.914 -0.153 0.000 2.644 493 V HA 0.228 4.347 4.120 -0.001 0.000 0.295 493 V C 0.857 176.822 176.094 -0.216 0.000 1.053 493 V CA -0.107 62.102 62.300 -0.152 0.000 0.987 493 V CB 1.581 33.347 31.823 -0.095 0.000 1.006 493 V HN 0.634 nan 8.190 nan 0.000 0.472 494 L N 1.978 123.021 121.223 -0.301 0.000 2.362 494 L HA 0.369 4.708 4.340 -0.001 0.000 0.204 494 L C 0.463 177.074 176.870 -0.431 0.000 1.060 494 L CA 0.463 54.949 54.840 -0.591 0.000 0.827 494 L CB 0.325 41.728 42.059 -1.094 0.000 1.027 494 L HN 0.693 nan 8.230 nan 0.000 0.474 495 E N 0.084 120.166 120.200 -0.197 0.000 2.343 495 E HA 0.101 4.450 4.350 -0.001 0.000 0.286 495 E C -1.310 175.338 176.600 0.081 0.000 0.915 495 E CA -0.392 55.983 56.400 -0.042 0.000 0.784 495 E CB 1.199 30.872 29.700 -0.045 0.000 1.251 495 E HN 0.158 nan 8.360 nan 0.000 0.407 496 D N 3.339 123.769 120.400 0.049 0.000 2.479 496 D HA 0.123 4.762 4.640 -0.001 0.000 0.218 496 D C -0.419 175.906 176.300 0.041 0.000 1.177 496 D CA -0.342 53.684 54.000 0.042 0.000 0.830 496 D CB -0.193 40.607 40.800 0.001 0.000 1.014 496 D HN 0.492 nan 8.370 nan 0.000 0.503 497 N N 0.867 119.609 118.700 0.071 0.000 2.716 497 N HA -0.213 4.526 4.740 -0.001 0.000 0.250 497 N C 0.927 176.454 175.510 0.029 0.000 1.033 497 N CA 0.923 54.010 53.050 0.062 0.000 0.727 497 N CB -1.017 37.509 38.487 0.065 0.000 0.950 497 N HN 0.520 nan 8.380 nan 0.000 0.541 498 S N -1.278 114.437 115.700 0.027 0.000 2.406 498 S HA 0.052 4.521 4.470 -0.001 0.000 0.228 498 S C 2.087 176.704 174.600 0.029 0.000 1.020 498 S CA 0.680 58.889 58.200 0.015 0.000 0.965 498 S CB 0.010 63.217 63.200 0.013 0.000 0.798 498 S HN 0.503 nan 8.310 nan 0.000 0.488 499 A N 3.126 125.972 122.820 0.044 0.000 1.841 499 A HA 0.009 4.328 4.320 -0.001 0.000 0.216 499 A C 2.275 179.903 177.584 0.073 0.000 1.199 499 A CA 1.650 53.721 52.037 0.057 0.000 0.621 499 A CB -1.117 17.921 19.000 0.063 0.000 0.835 499 A HN 0.518 nan 8.150 nan 0.000 0.445 500 L N -0.004 121.270 121.223 0.085 0.000 2.131 500 L HA -0.186 4.153 4.340 -0.001 0.000 0.210 500 L C 1.833 178.748 176.870 0.076 0.000 1.092 500 L CA 2.948 57.858 54.840 0.117 0.000 0.759 500 L CB -1.231 40.908 42.059 0.133 0.000 0.903 500 L HN 0.483 nan 8.230 nan 0.000 0.435 501 D N 0.274 120.688 120.400 0.024 0.000 2.218 501 D HA -0.221 4.418 4.640 -0.001 0.000 0.204 501 D C 2.157 178.465 176.300 0.013 0.000 0.976 501 D CA 1.560 55.552 54.000 -0.013 0.000 0.853 501 D CB 0.203 40.980 40.800 -0.038 0.000 0.939 501 D HN 0.627 nan 8.370 nan 0.000 0.481 502 K N -0.795 119.628 120.400 0.038 0.000 2.137 502 K HA 0.034 4.353 4.320 -0.001 0.000 0.202 502 K C 2.219 178.864 176.600 0.074 0.000 1.052 502 K CA 0.618 56.933 56.287 0.045 0.000 0.961 502 K CB -0.348 32.178 32.500 0.044 0.000 0.741 502 K HN 0.085 nan 8.250 nan 0.000 0.452 503 M N 1.167 120.837 119.600 0.117 0.000 2.117 503 M HA -0.069 4.411 4.480 -0.001 0.000 0.262 503 M C 2.063 178.449 176.300 0.144 0.000 1.065 503 M CA 1.593 57.012 55.300 0.199 0.000 1.114 503 M CB -0.310 32.498 32.600 0.347 0.000 1.361 503 M HN 0.115 nan 8.290 nan 0.000 0.408 504 L N -0.381 120.874 121.223 0.053 0.000 2.362 504 L HA -0.185 4.154 4.340 -0.001 0.000 0.219 504 L C 2.220 179.074 176.870 -0.027 0.000 1.134 504 L CA 0.861 55.666 54.840 -0.058 0.000 0.807 504 L CB -0.514 41.508 42.059 -0.061 0.000 0.927 504 L HN 0.411 nan 8.230 nan 0.000 0.447 505 Q N -0.414 119.392 119.800 0.009 0.000 2.291 505 Q HA -0.168 4.171 4.340 -0.001 0.000 0.206 505 Q C 1.328 177.343 176.000 0.026 0.000 0.976 505 Q CA 0.960 56.770 55.803 0.013 0.000 0.875 505 Q CB -0.044 28.706 28.738 0.020 0.000 0.927 505 Q HN 0.297 nan 8.270 nan 0.000 0.450 506 N N -0.216 118.510 118.700 0.044 0.000 2.276 506 N HA 0.076 4.815 4.740 -0.001 0.000 0.212 506 N C -1.249 174.297 175.510 0.060 0.000 1.127 506 N CA 0.030 53.117 53.050 0.062 0.000 0.834 506 N CB 0.726 39.267 38.487 0.090 0.000 1.014 506 N HN -0.119 nan 8.380 nan 0.000 0.491 507 V N 0.618 120.543 119.914 0.018 0.000 2.864 507 V HA 0.325 4.444 4.120 -0.001 0.000 0.314 507 V C -0.047 176.040 176.094 -0.011 0.000 1.073 507 V CA -0.917 61.388 62.300 0.008 0.000 0.956 507 V CB 2.302 34.080 31.823 -0.074 0.000 1.023 507 V HN 0.025 nan 8.190 nan 0.000 0.435 508 Q N 3.500 123.294 119.800 -0.011 0.000 2.452 508 Q HA 0.352 4.691 4.340 -0.001 0.000 0.230 508 Q C -0.638 175.309 176.000 -0.089 0.000 1.180 508 Q CA -0.004 55.757 55.803 -0.070 0.000 0.914 508 Q CB 0.491 29.167 28.738 -0.102 0.000 1.408 508 Q HN 0.488 nan 8.270 nan 0.000 0.520 509 M N 3.277 122.822 119.600 -0.092 0.000 2.367 509 M HA 0.432 4.911 4.480 -0.001 0.000 0.339 509 M C -2.133 174.102 176.300 -0.108 0.000 1.177 509 M CA -2.286 52.954 55.300 -0.100 0.000 1.068 509 M CB 0.689 33.237 32.600 -0.086 0.000 1.602 509 M HN 0.261 nan 8.290 nan 0.000 0.457 510 P HA 0.177 nan 4.420 nan 0.000 0.274 510 P C -0.676 176.560 177.300 -0.106 0.000 1.260 510 P CA -0.396 62.627 63.100 -0.128 0.000 0.793 510 P CB 0.391 31.998 31.700 -0.154 0.000 1.048 511 S N -1.197 114.429 115.700 -0.122 0.000 2.568 511 S HA 0.560 5.029 4.470 -0.001 0.000 0.302 511 S C -0.693 173.828 174.600 -0.133 0.000 1.082 511 S CA -0.844 57.294 58.200 -0.103 0.000 1.009 511 S CB 1.549 64.692 63.200 -0.095 0.000 1.069 511 S HN 0.402 nan 8.310 nan 0.000 0.500 512 K N 1.498 121.845 120.400 -0.089 0.000 2.235 512 K HA 0.368 4.687 4.320 -0.001 0.000 0.266 512 K C -0.918 175.629 176.600 -0.088 0.000 0.980 512 K CA -0.650 55.583 56.287 -0.089 0.000 0.849 512 K CB 0.808 33.279 32.500 -0.049 0.000 1.098 512 K HN 0.509 nan 8.250 nan 0.000 0.445 513 K N 5.142 125.470 120.400 -0.120 0.000 2.185 513 K HA 0.325 4.644 4.320 -0.001 0.000 0.269 513 K C -1.274 175.257 176.600 -0.114 0.000 0.987 513 K CA -0.572 55.643 56.287 -0.121 0.000 0.865 513 K CB 1.038 33.442 32.500 -0.160 0.000 1.090 513 K HN 0.679 nan 8.250 nan 0.000 0.450 514 L N 4.156 125.331 121.223 -0.081 0.000 2.349 514 L HA 0.423 4.762 4.340 -0.001 0.000 0.278 514 L C -0.903 175.946 176.870 -0.035 0.000 0.996 514 L CA -0.080 54.741 54.840 -0.032 0.000 0.825 514 L CB 1.285 43.404 42.059 0.099 0.000 1.243 514 L HN 0.742 nan 8.230 nan 0.000 0.412 515 D N 3.066 123.318 120.400 -0.247 0.000 3.145 515 D HA 0.475 5.114 4.640 -0.001 0.000 0.345 515 D C -1.652 174.458 176.300 -0.317 0.000 1.391 515 D CA 0.101 53.917 54.000 -0.307 0.000 0.930 515 D CB 2.128 42.698 40.800 -0.383 0.000 1.451 515 D HN 0.291 nan 8.370 nan 0.000 0.555 516 F N -0.065 119.745 119.950 -0.233 0.000 2.779 516 F HA 0.688 5.214 4.527 -0.001 0.000 0.316 516 F C -1.441 174.478 175.800 0.198 0.000 1.164 516 F CA -1.047 56.916 58.000 -0.061 0.000 0.924 516 F CB 0.958 39.427 39.000 -0.885 0.000 1.348 516 F HN 0.273 nan 8.300 nan 0.000 0.467 517 I N 0.214 121.103 120.570 0.530 0.000 2.828 517 I HA 0.634 4.804 4.170 -0.001 0.000 0.302 517 I C -1.609 174.783 176.117 0.458 0.000 1.101 517 I CA -1.104 60.405 61.300 0.349 0.000 1.031 517 I CB 2.446 40.564 38.000 0.195 0.000 1.231 517 I HN 0.692 nan 8.210 nan 0.000 0.427 518 I N 4.729 125.490 120.570 0.318 0.000 2.304 518 I HA 0.276 4.445 4.170 -0.001 0.000 0.291 518 I C 0.397 176.644 176.117 0.217 0.000 1.018 518 I CA -0.308 61.143 61.300 0.252 0.000 1.260 518 I CB 1.816 39.934 38.000 0.196 0.000 1.390 518 I HN 0.646 nan 8.210 nan 0.000 0.475 519 L N 5.548 126.944 121.223 0.288 0.000 2.496 519 L HA 0.178 4.517 4.340 -0.001 0.000 0.189 519 L C 1.246 178.213 176.870 0.162 0.000 1.308 519 L CA 0.193 55.179 54.840 0.244 0.000 0.912 519 L CB -0.163 42.112 42.059 0.360 0.000 1.148 519 L HN 0.576 nan 8.230 nan 0.000 0.537 520 N N 0.309 119.122 118.700 0.188 0.000 2.477 520 N HA -0.001 4.739 4.740 -0.001 0.000 0.284 520 N C 0.636 176.202 175.510 0.094 0.000 1.353 520 N CA 0.028 53.144 53.050 0.109 0.000 0.907 520 N CB -0.123 38.422 38.487 0.096 0.000 1.096 520 N HN 0.101 nan 8.380 nan 0.000 0.479 521 E N -0.293 119.941 120.200 0.058 0.000 2.438 521 E HA 0.079 4.428 4.350 -0.001 0.000 0.192 521 E C -0.388 176.215 176.600 0.004 0.000 1.110 521 E CA 0.367 56.788 56.400 0.034 0.000 0.893 521 E CB -0.075 29.636 29.700 0.018 0.000 0.990 521 E HN 0.263 nan 8.360 nan 0.000 0.490 522 T N 0.766 115.326 114.554 0.009 0.000 2.929 522 T HA 0.260 4.610 4.350 -0.001 0.000 0.284 522 T C -0.019 174.517 174.700 -0.274 0.000 1.014 522 T CA -0.729 61.272 62.100 -0.165 0.000 1.051 522 T CB 1.384 70.102 68.868 -0.250 0.000 1.028 522 T HN -0.095 nan 8.240 nan 0.000 0.485 523 K N 1.931 122.054 120.400 -0.462 0.000 2.234 523 K HA 0.441 4.760 4.320 -0.001 0.000 0.277 523 K C -1.215 175.028 176.600 -0.595 0.000 1.038 523 K CA -0.271 55.748 56.287 -0.446 0.000 0.888 523 K CB 0.621 32.735 32.500 -0.644 0.000 1.091 523 K HN 0.398 nan 8.250 nan 0.000 0.467 524 F N 1.935 121.976 119.950 0.152 0.000 2.482 524 F HA 0.341 4.867 4.527 -0.001 0.000 0.331 524 F C -0.319 175.659 175.800 0.297 0.000 1.115 524 F CA -0.846 57.286 58.000 0.220 0.000 0.955 524 F CB 0.917 40.080 39.000 0.271 0.000 1.136 524 F HN 0.407 nan 8.300 nan 0.000 0.452 525 W N 3.724 125.213 121.300 0.316 0.000 2.316 525 W HA 0.492 5.151 4.660 -0.002 0.000 0.321 525 W C -0.557 176.227 176.519 0.443 0.000 1.203 525 W CA -0.498 57.065 57.345 0.363 0.000 1.214 525 W CB 0.685 30.261 29.460 0.194 0.000 1.169 525 W HN 0.443 nan 8.180 nan 0.000 0.561 526 Y N -0.206 120.444 120.300 0.583 0.000 2.638 526 Y HA 0.677 5.226 4.550 -0.001 0.000 0.339 526 Y C -0.941 175.196 175.900 0.395 0.000 1.084 526 Y CA -2.074 56.357 58.100 0.552 0.000 1.068 526 Y CB 1.108 40.027 38.460 0.765 0.000 1.294 526 Y HN 0.542 nan 8.280 nan 0.000 0.480 527 Q N 1.969 121.948 119.800 0.298 0.000 2.375 527 Q HA 0.718 5.057 4.340 -0.001 0.000 0.271 527 Q C -1.775 174.326 176.000 0.170 0.000 1.074 527 Q CA -1.062 54.792 55.803 0.085 0.000 0.808 527 Q CB 3.062 31.863 28.738 0.104 0.000 1.327 527 Q HN 0.873 nan 8.270 nan 0.000 0.441 528 M N 2.863 122.483 119.600 0.033 0.000 2.321 528 M HA 0.441 4.920 4.480 -0.001 0.000 0.315 528 M C -1.174 175.062 176.300 -0.106 0.000 1.052 528 M CA -0.763 54.522 55.300 -0.025 0.000 0.936 528 M CB 2.163 34.715 32.600 -0.079 0.000 1.639 528 M HN 0.664 nan 8.290 nan 0.000 0.433 529 I N 4.616 125.127 120.570 -0.098 0.000 2.301 529 I HA 0.252 4.421 4.170 -0.001 0.000 0.292 529 I C -0.767 175.221 176.117 -0.215 0.000 1.046 529 I CA 0.042 61.256 61.300 -0.143 0.000 1.282 529 I CB 0.409 38.343 38.000 -0.110 0.000 1.409 529 I HN 0.490 nan 8.210 nan 0.000 0.484 530 L N 8.811 129.855 121.223 -0.297 0.000 2.309 530 L HA 0.548 4.887 4.340 -0.001 0.000 0.282 530 L C -2.316 174.406 176.870 -0.248 0.000 1.036 530 L CA -2.030 52.562 54.840 -0.414 0.000 0.806 530 L CB 0.761 42.394 42.059 -0.710 0.000 1.220 530 L HN 0.295 nan 8.230 nan 0.000 0.429 531 P HA 0.113 nan 4.420 nan 0.000 0.272 531 P C -2.475 174.799 177.300 -0.044 0.000 1.223 531 P CA -1.103 61.949 63.100 -0.080 0.000 0.784 531 P CB -0.129 31.585 31.700 0.023 0.000 0.923 532 P HA -0.053 nan 4.420 nan 0.000 0.269 532 P C -0.263 176.978 177.300 -0.100 0.000 1.209 532 P CA 0.527 63.516 63.100 -0.185 0.000 0.776 532 P CB 0.026 31.485 31.700 -0.401 0.000 0.876 533 H N -2.561 116.545 119.070 0.059 0.000 3.109 533 H HA -0.193 4.362 4.556 -0.001 0.000 0.245 533 H C 0.306 175.669 175.328 0.059 0.000 1.187 533 H CA -0.447 55.629 56.048 0.047 0.000 1.136 533 H CB -2.188 27.595 29.762 0.036 0.000 1.243 533 H HN 0.332 nan 8.280 nan 0.000 0.328 534 F N 2.635 122.599 119.950 0.023 0.000 2.613 534 F HA -0.007 4.519 4.527 -0.001 0.000 0.373 534 F C 0.603 176.402 175.800 -0.002 0.000 1.085 534 F CA 0.835 58.787 58.000 -0.079 0.000 1.309 534 F CB 0.452 39.308 39.000 -0.241 0.000 0.986 534 F HN 0.235 nan 8.300 nan 0.000 0.592 535 D N 5.294 125.008 120.400 -1.142 0.000 2.346 535 D HA 0.113 4.752 4.640 -0.001 0.000 0.255 535 D C 0.609 176.461 176.300 -0.747 0.000 1.276 535 D CA -0.416 53.168 54.000 -0.693 0.000 0.941 535 D CB 0.754 41.423 40.800 -0.220 0.000 1.199 535 D HN 0.645 nan 8.370 nan 0.000 0.537 536 K N 0.556 120.543 120.400 -0.690 0.000 2.366 536 K HA -0.183 4.136 4.320 -0.001 0.000 0.202 536 K C 1.163 177.765 176.600 0.004 0.000 1.045 536 K CA 1.522 57.689 56.287 -0.201 0.000 0.934 536 K CB -0.187 32.346 32.500 0.054 0.000 0.746 536 K HN 0.208 nan 8.250 nan 0.000 0.470 537 S N -0.346 115.315 115.700 -0.066 0.000 2.527 537 S HA 0.074 4.543 4.470 -0.001 0.000 0.222 537 S C 0.576 175.166 174.600 -0.016 0.000 0.985 537 S CA -0.162 58.028 58.200 -0.018 0.000 0.921 537 S CB 0.096 63.272 63.200 -0.039 0.000 0.772 537 S HN 0.101 nan 8.310 nan 0.000 0.529 538 K N 1.753 122.134 120.400 -0.030 0.000 2.123 538 K HA 0.437 4.756 4.320 -0.001 0.000 0.248 538 K C -0.664 175.930 176.600 -0.009 0.000 0.969 538 K CA -0.427 55.801 56.287 -0.097 0.000 0.882 538 K CB 1.339 33.678 32.500 -0.268 0.000 1.080 538 K HN 0.239 nan 8.250 nan 0.000 0.441 539 K N 2.395 122.733 120.400 -0.104 0.000 2.248 539 K HA 0.265 4.585 4.320 -0.001 0.000 0.281 539 K C -0.718 175.794 176.600 -0.146 0.000 1.054 539 K CA -0.413 55.875 56.287 0.002 0.000 0.903 539 K CB 0.524 33.006 32.500 -0.029 0.000 1.077 539 K HN 0.316 nan 8.250 nan 0.000 0.474 540 Y N 2.331 122.672 120.300 0.069 0.000 2.487 540 Y HA 0.342 4.891 4.550 -0.001 0.000 0.337 540 Y C -2.112 173.741 175.900 -0.079 0.000 1.076 540 Y CA -3.106 54.998 58.100 0.007 0.000 1.115 540 Y CB 0.584 39.099 38.460 0.092 0.000 1.235 540 Y HN 0.501 nan 8.280 nan 0.000 0.468 541 P HA 0.315 nan 4.420 nan 0.000 0.274 541 P C -1.163 176.024 177.300 -0.187 0.000 1.246 541 P CA -0.359 62.497 63.100 -0.407 0.000 0.795 541 P CB 1.466 32.513 31.700 -1.088 0.000 1.006 542 L N 0.918 122.071 121.223 -0.116 0.000 2.455 542 L HA 0.525 4.864 4.340 -0.001 0.000 0.264 542 L C -1.507 175.570 176.870 0.345 0.000 0.968 542 L CA -0.930 53.981 54.840 0.118 0.000 0.827 542 L CB 1.810 43.943 42.059 0.124 0.000 1.317 542 L HN 0.217 nan 8.230 nan 0.000 0.407 543 L N 6.176 127.619 121.223 0.366 0.000 2.298 543 L HA 0.427 4.766 4.340 -0.001 0.000 0.284 543 L C -1.122 176.001 176.870 0.422 0.000 1.013 543 L CA -0.624 54.485 54.840 0.449 0.000 0.824 543 L CB 1.507 43.789 42.059 0.372 0.000 1.221 543 L HN 0.704 nan 8.230 nan 0.000 0.418 544 L N 5.139 126.646 121.223 0.474 0.000 2.315 544 L HA 0.181 4.521 4.340 -0.001 0.000 0.283 544 L C -0.388 176.743 176.870 0.435 0.000 1.089 544 L CA -0.074 55.036 54.840 0.450 0.000 0.833 544 L CB 0.901 43.243 42.059 0.472 0.000 1.170 544 L HN 0.623 nan 8.230 nan 0.000 0.442 545 D N 4.737 125.376 120.400 0.398 0.000 2.380 545 D HA 0.289 4.928 4.640 -0.001 0.000 0.230 545 D C -0.735 175.670 176.300 0.175 0.000 1.154 545 D CA -0.183 53.981 54.000 0.273 0.000 0.859 545 D CB 1.221 42.262 40.800 0.402 0.000 1.045 545 D HN 0.109 nan 8.370 nan 0.000 0.495 546 V N 5.113 125.062 119.914 0.057 0.000 2.581 546 V HA 0.336 4.455 4.120 -0.001 0.000 0.303 546 V C -0.159 176.039 176.094 0.173 0.000 1.041 546 V CA -0.660 61.727 62.300 0.144 0.000 0.907 546 V CB 1.483 33.374 31.823 0.114 0.000 0.994 546 V HN 0.618 nan 8.190 nan 0.000 0.442 547 Y N 3.099 123.477 120.300 0.131 0.000 3.274 547 Y HA 0.547 5.096 4.550 -0.001 0.000 0.174 547 Y C 1.532 177.596 175.900 0.273 0.000 0.880 547 Y CA 0.962 59.169 58.100 0.179 0.000 1.793 547 Y CB -0.047 38.500 38.460 0.145 0.000 1.409 547 Y HN 0.763 nan 8.280 nan 0.000 0.368 548 A N 1.127 124.127 122.820 0.300 0.000 2.872 548 A HA -0.119 4.200 4.320 -0.001 0.000 0.273 548 A C 0.833 178.319 177.584 -0.164 0.000 1.442 548 A CA 0.909 53.040 52.037 0.156 0.000 0.801 548 A CB -2.388 16.739 19.000 0.211 0.000 1.031 548 A HN 1.043 nan 8.150 nan 0.000 0.582 549 G N -0.675 107.779 108.800 -0.576 0.000 2.634 549 G HA2 0.491 4.450 3.960 -0.001 0.000 0.255 549 G HA3 0.491 4.450 3.960 -0.001 0.000 0.255 549 G C -2.012 172.588 174.900 -0.499 0.000 1.205 549 G CA -0.792 43.572 45.100 -1.227 0.000 0.884 549 G HN 0.340 nan 8.290 nan 0.000 0.549 550 P HA -0.004 nan 4.420 nan 0.000 0.260 550 P C 0.663 177.831 177.300 -0.219 0.000 1.172 550 P CA 0.206 63.021 63.100 -0.475 0.000 0.760 550 P CB 0.446 31.441 31.700 -1.175 0.000 0.773 551 C N 2.489 121.717 119.300 -0.120 0.000 4.456 551 C HA -0.147 4.313 4.460 -0.001 0.000 0.288 551 C C 1.121 176.154 174.990 0.073 0.000 1.374 551 C CA 1.164 60.093 59.018 -0.149 0.000 1.956 551 C CB -2.598 24.898 27.740 -0.407 0.000 1.255 551 C HN 0.807 nan 8.230 nan 0.000 0.788 552 S N -0.184 115.614 115.700 0.163 0.000 2.681 552 S HA 0.647 5.116 4.470 -0.001 0.000 0.270 552 S C -0.637 174.146 174.600 0.305 0.000 1.209 552 S CA -0.113 58.276 58.200 0.315 0.000 0.988 552 S CB 1.698 65.153 63.200 0.426 0.000 1.006 552 S HN 0.754 nan 8.310 nan 0.000 0.558 553 Q N -0.296 119.697 119.800 0.322 0.000 2.275 553 Q HA 0.361 4.700 4.340 -0.001 0.000 0.258 553 Q C -0.848 175.276 176.000 0.206 0.000 0.960 553 Q CA -0.599 55.371 55.803 0.278 0.000 0.801 553 Q CB 1.133 30.061 28.738 0.316 0.000 1.302 553 Q HN 0.643 nan 8.270 nan 0.000 0.433 554 K N 1.058 121.581 120.400 0.205 0.000 2.358 554 K HA 0.363 4.682 4.320 -0.001 0.000 0.200 554 K C -0.677 176.033 176.600 0.184 0.000 1.030 554 K CA 0.237 56.637 56.287 0.189 0.000 1.097 554 K CB 1.537 34.178 32.500 0.235 0.000 0.862 554 K HN 0.500 nan 8.250 nan 0.000 0.534 555 A N 2.418 125.351 122.820 0.188 0.000 2.360 555 A HA 0.465 4.784 4.320 -0.001 0.000 0.309 555 A C -0.825 176.837 177.584 0.129 0.000 1.311 555 A CA -0.619 51.533 52.037 0.191 0.000 0.805 555 A CB 0.355 19.533 19.000 0.296 0.000 1.144 555 A HN 0.214 nan 8.150 nan 0.000 0.486 556 D N 0.065 120.516 120.400 0.085 0.000 2.867 556 D HA 0.508 5.147 4.640 -0.001 0.000 0.308 556 D C 0.353 176.675 176.300 0.036 0.000 1.202 556 D CA 0.364 54.400 54.000 0.060 0.000 1.035 556 D CB 0.352 41.187 40.800 0.057 0.000 1.427 556 D HN 0.184 nan 8.370 nan 0.000 0.570 557 T N -2.243 112.339 114.554 0.046 0.000 3.228 557 T HA 0.412 4.762 4.350 -0.001 0.000 0.278 557 T C 0.263 174.924 174.700 -0.065 0.000 1.014 557 T CA -0.416 61.703 62.100 0.032 0.000 0.904 557 T CB -0.647 68.285 68.868 0.107 0.000 1.110 557 T HN 0.249 nan 8.240 nan 0.000 0.541 558 V N 1.918 121.699 119.914 -0.223 0.000 2.953 558 V HA 0.442 4.561 4.120 -0.001 0.000 0.304 558 V C -0.120 175.927 176.094 -0.079 0.000 1.073 558 V CA -0.882 61.236 62.300 -0.303 0.000 1.064 558 V CB 0.847 32.369 31.823 -0.501 0.000 1.047 558 V HN 0.559 nan 8.190 nan 0.000 0.478 559 F N 4.493 124.330 119.950 -0.189 0.000 2.405 559 F HA 0.604 5.130 4.527 -0.001 0.000 0.355 559 F C 0.330 176.066 175.800 -0.107 0.000 1.121 559 F CA -0.405 57.516 58.000 -0.131 0.000 1.112 559 F CB 0.455 39.387 39.000 -0.114 0.000 1.126 559 F HN 0.376 nan 8.300 nan 0.000 0.481 560 R N 6.281 126.341 120.500 -0.734 0.000 2.686 560 R HA 0.586 4.925 4.340 -0.001 0.000 0.286 560 R C -1.566 174.272 176.300 -0.770 0.000 0.969 560 R CA -1.064 54.688 56.100 -0.579 0.000 0.898 560 R CB 2.233 32.362 30.300 -0.286 0.000 1.183 560 R HN 0.632 nan 8.270 nan 0.000 0.456 561 L N 4.092 125.034 121.223 -0.470 0.000 2.276 561 L HA 0.446 4.785 4.340 -0.001 0.000 0.286 561 L C -0.469 176.325 176.870 -0.127 0.000 1.024 561 L CA -0.543 54.094 54.840 -0.339 0.000 0.826 561 L CB 0.594 42.578 42.059 -0.126 0.000 1.211 561 L HN 0.817 nan 8.230 nan 0.000 0.422 562 N N 0.706 119.287 118.700 -0.198 0.000 3.517 562 N HA 0.070 4.809 4.740 -0.001 0.000 0.329 562 N C 0.087 175.344 175.510 -0.423 0.000 1.569 562 N CA -0.854 51.993 53.050 -0.338 0.000 0.852 562 N CB 0.056 38.439 38.487 -0.174 0.000 1.955 562 N HN 0.307 nan 8.380 nan 0.000 0.555 563 W N 0.915 121.697 121.300 -0.864 0.000 2.317 563 W HA 0.053 4.712 4.660 -0.001 0.000 0.318 563 W C 2.204 178.666 176.519 -0.096 0.000 1.227 563 W CA 3.469 60.505 57.345 -0.515 0.000 1.269 563 W CB -1.131 28.133 29.460 -0.327 0.000 1.155 563 W HN 0.731 nan 8.180 nan 0.000 0.484 564 A N -0.862 121.965 122.820 0.012 0.000 2.024 564 A HA -0.191 4.128 4.320 -0.001 0.000 0.220 564 A C 1.919 179.401 177.584 -0.169 0.000 1.164 564 A CA 2.307 54.270 52.037 -0.124 0.000 0.643 564 A CB -1.212 17.807 19.000 0.031 0.000 0.806 564 A HN 0.324 nan 8.150 nan 0.000 0.451 565 T N -1.288 113.184 114.554 -0.137 0.000 2.708 565 T HA -0.191 4.158 4.350 -0.001 0.000 0.266 565 T C 1.794 176.519 174.700 0.042 0.000 1.037 565 T CA 1.787 63.781 62.100 -0.176 0.000 1.146 565 T CB -0.452 68.168 68.868 -0.413 0.000 0.865 565 T HN 0.746 nan 8.240 nan 0.000 0.435 566 Y N 1.651 122.039 120.300 0.146 0.000 2.181 566 Y HA -0.006 4.543 4.550 -0.001 0.000 0.288 566 Y C 1.940 177.802 175.900 -0.063 0.000 1.146 566 Y CA 0.960 59.157 58.100 0.161 0.000 1.164 566 Y CB -0.670 37.853 38.460 0.106 0.000 0.982 566 Y HN 0.119 nan 8.280 nan 0.000 0.515 567 L N 0.291 121.014 121.223 -0.833 0.000 2.083 567 L HA -0.196 4.143 4.340 -0.001 0.000 0.209 567 L C 2.777 179.355 176.870 -0.487 0.000 1.083 567 L CA 1.390 55.681 54.840 -0.915 0.000 0.752 567 L CB -0.765 40.836 42.059 -0.763 0.000 0.899 567 L HN 0.442 nan 8.230 nan 0.000 0.433 568 A N -1.659 120.974 122.820 -0.313 0.000 2.021 568 A HA -0.114 4.205 4.320 -0.001 0.000 0.216 568 A C 2.455 179.952 177.584 -0.145 0.000 1.163 568 A CA 1.355 53.279 52.037 -0.189 0.000 0.676 568 A CB -0.299 18.602 19.000 -0.166 0.000 0.818 568 A HN 0.366 nan 8.150 nan 0.000 0.453 569 S N -1.133 114.486 115.700 -0.136 0.000 2.371 569 S HA -0.075 4.394 4.470 -0.001 0.000 0.221 569 S C 1.904 176.485 174.600 -0.032 0.000 1.036 569 S CA 2.046 60.212 58.200 -0.056 0.000 0.965 569 S CB -0.336 62.888 63.200 0.040 0.000 0.845 569 S HN 0.462 nan 8.310 nan 0.000 0.475 570 T N 1.412 115.927 114.554 -0.066 0.000 3.021 570 T HA 0.206 4.555 4.350 -0.001 0.000 0.245 570 T C 1.270 175.923 174.700 -0.077 0.000 1.028 570 T CA 0.556 62.651 62.100 -0.010 0.000 1.139 570 T CB -0.062 68.905 68.868 0.165 0.000 0.884 570 T HN 0.355 nan 8.240 nan 0.000 0.457 571 E N 1.586 121.641 120.200 -0.241 0.000 2.474 571 E HA 0.139 4.488 4.350 -0.001 0.000 0.195 571 E C 0.006 176.565 176.600 -0.067 0.000 1.039 571 E CA -0.058 56.255 56.400 -0.146 0.000 0.881 571 E CB -0.084 29.480 29.700 -0.227 0.000 0.970 571 E HN 0.373 nan 8.360 nan 0.000 0.486 572 N N 0.815 119.480 118.700 -0.058 0.000 2.727 572 N HA -0.215 4.525 4.740 -0.001 0.000 0.249 572 N C -0.465 175.100 175.510 0.090 0.000 1.048 572 N CA 0.700 53.778 53.050 0.046 0.000 0.714 572 N CB -1.838 36.718 38.487 0.115 0.000 0.959 572 N HN 0.283 nan 8.380 nan 0.000 0.544 573 I N 0.762 121.327 120.570 -0.008 0.000 2.392 573 I HA 0.332 4.502 4.170 -0.001 0.000 0.295 573 I C 1.126 177.231 176.117 -0.020 0.000 0.985 573 I CA -0.701 60.608 61.300 0.014 0.000 1.221 573 I CB 1.274 39.288 38.000 0.023 0.000 1.366 573 I HN -0.017 nan 8.210 nan 0.000 0.467 574 I N 6.012 126.582 120.570 -0.000 0.000 2.529 574 I HA 0.136 4.306 4.170 -0.001 0.000 0.284 574 I C -0.496 175.620 176.117 -0.000 0.000 1.082 574 I CA -0.240 61.024 61.300 -0.061 0.000 1.406 574 I CB 0.833 38.801 38.000 -0.053 0.000 1.405 574 I HN 0.185 nan 8.210 nan 0.000 0.548 575 V N 6.504 126.405 119.914 -0.021 0.000 2.350 575 V HA 0.586 4.705 4.120 -0.001 0.000 0.285 575 V C 0.183 176.330 176.094 0.088 0.000 1.014 575 V CA -0.546 61.794 62.300 0.067 0.000 0.831 575 V CB 1.242 33.103 31.823 0.064 0.000 1.000 575 V HN 0.819 nan 8.190 nan 0.000 0.433 576 A N 3.770 126.686 122.820 0.160 0.000 2.330 576 A HA 0.883 5.202 4.320 -0.001 0.000 0.327 576 A C -0.093 177.700 177.584 0.347 0.000 1.155 576 A CA -0.423 51.729 52.037 0.191 0.000 0.803 576 A CB 1.414 20.469 19.000 0.092 0.000 1.208 576 A HN 0.672 nan 8.150 nan 0.000 0.477 577 S N 0.593 116.529 115.700 0.392 0.000 2.513 577 S HA 0.767 5.236 4.470 -0.001 0.000 0.299 577 S C -1.331 173.631 174.600 0.604 0.000 1.087 577 S CA -0.290 58.168 58.200 0.431 0.000 1.012 577 S CB 1.154 64.543 63.200 0.316 0.000 1.044 577 S HN 0.692 nan 8.310 nan 0.000 0.485 578 F N 2.000 122.190 119.950 0.399 0.000 2.561 578 F HA 0.480 5.006 4.527 -0.001 0.000 0.313 578 F C -1.445 174.560 175.800 0.341 0.000 1.126 578 F CA -0.832 57.419 58.000 0.417 0.000 0.918 578 F CB 1.507 40.703 39.000 0.328 0.000 1.199 578 F HN 0.364 nan 8.300 nan 0.000 0.444 579 D N 4.549 124.753 120.400 -0.327 0.000 2.473 579 D HA 0.399 5.038 4.640 -0.001 0.000 0.226 579 D C 0.304 176.291 176.300 -0.522 0.000 1.089 579 D CA 0.147 54.025 54.000 -0.204 0.000 0.883 579 D CB 1.437 42.279 40.800 0.071 0.000 1.029 579 D HN 0.773 nan 8.370 nan 0.000 0.517 580 G N 1.108 109.612 108.800 -0.494 0.000 2.782 580 G HA2 0.309 4.268 3.960 -0.001 0.000 0.201 580 G HA3 0.309 4.268 3.960 -0.001 0.000 0.201 580 G C 0.099 174.991 174.900 -0.013 0.000 1.374 580 G CA -0.712 44.177 45.100 -0.351 0.000 1.039 580 G HN 0.287 nan 8.290 nan 0.000 0.576 581 R N -0.704 119.759 120.500 -0.062 0.000 2.583 581 R HA 0.339 4.678 4.340 -0.001 0.000 0.274 581 R C 1.357 177.719 176.300 0.104 0.000 0.998 581 R CA 1.723 57.866 56.100 0.072 0.000 1.081 581 R CB 0.308 30.606 30.300 -0.003 0.000 0.940 581 R HN 1.106 nan 8.270 nan 0.000 0.413 582 G N 1.270 110.128 108.800 0.096 0.000 2.234 582 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.235 582 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.235 582 G C 0.113 175.033 174.900 0.032 0.000 0.997 582 G CA 0.201 45.349 45.100 0.079 0.000 0.623 582 G HN 0.754 nan 8.290 nan 0.000 0.514 583 S N 0.409 116.140 115.700 0.053 0.000 2.589 583 S HA 0.614 5.084 4.470 -0.001 0.000 0.265 583 S C 0.843 175.432 174.600 -0.019 0.000 1.342 583 S CA 0.505 58.735 58.200 0.050 0.000 1.005 583 S CB 1.717 64.975 63.200 0.097 0.000 0.909 583 S HN 1.701 nan 8.310 nan 0.000 0.555 584 G N -0.771 107.998 108.800 -0.053 0.000 2.521 584 G HA2 0.501 4.460 3.960 -0.001 0.000 0.323 584 G HA3 0.501 4.460 3.960 -0.001 0.000 0.323 584 G C -0.903 173.882 174.900 -0.192 0.000 1.211 584 G CA -1.049 43.856 45.100 -0.325 0.000 0.979 584 G HN 0.957 nan 8.290 nan 0.000 0.490 585 Y N -2.419 117.881 120.300 0.001 0.000 4.604 585 Y HA -0.225 4.324 4.550 -0.001 0.000 0.230 585 Y C 1.399 177.307 175.900 0.014 0.000 1.066 585 Y CA 1.139 59.245 58.100 0.011 0.000 1.990 585 Y CB -2.074 36.405 38.460 0.033 0.000 1.619 585 Y HN 0.533 nan 8.280 nan 0.000 0.649 586 Q N 0.097 119.923 119.800 0.042 0.000 2.110 586 Q HA 0.513 4.852 4.340 -0.001 0.000 0.232 586 Q C 0.917 176.876 176.000 -0.068 0.000 0.810 586 Q CA 0.238 56.090 55.803 0.081 0.000 1.083 586 Q CB 1.471 30.249 28.738 0.067 0.000 1.193 586 Q HN 0.578 nan 8.270 nan 0.000 0.471 587 G N 0.491 109.114 108.800 -0.295 0.000 2.663 587 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.686 587 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.686 587 G C -0.544 173.997 174.900 -0.598 0.000 1.288 587 G CA -0.563 44.068 45.100 -0.782 0.000 0.836 587 G HN 0.136 nan 8.290 nan 0.000 0.584 588 D N -0.246 119.759 120.400 -0.659 0.000 2.249 588 D HA -0.000 4.639 4.640 -0.001 0.000 0.205 588 D C 2.259 178.288 176.300 -0.452 0.000 0.962 588 D CA 1.152 54.740 54.000 -0.686 0.000 0.860 588 D CB 0.038 40.448 40.800 -0.651 0.000 0.955 588 D HN 0.602 nan 8.370 nan 0.000 0.505 589 K N 0.513 120.712 120.400 -0.336 0.000 2.211 589 K HA -0.098 4.221 4.320 -0.001 0.000 0.204 589 K C 1.769 178.292 176.600 -0.128 0.000 1.047 589 K CA 0.999 57.174 56.287 -0.187 0.000 0.935 589 K CB 0.006 32.411 32.500 -0.158 0.000 0.728 589 K HN 0.127 nan 8.250 nan 0.000 0.452 590 I N -0.273 120.209 120.570 -0.148 0.000 2.810 590 I HA -0.088 4.081 4.170 -0.001 0.000 0.262 590 I C 2.412 178.492 176.117 -0.061 0.000 1.131 590 I CA 0.276 61.555 61.300 -0.036 0.000 1.453 590 I CB 0.024 38.028 38.000 0.007 0.000 1.161 590 I HN 0.249 nan 8.210 nan 0.000 0.444 591 M N 0.147 119.630 119.600 -0.195 0.000 2.132 591 M HA -0.210 4.269 4.480 -0.001 0.000 0.263 591 M C 1.878 178.116 176.300 -0.103 0.000 1.065 591 M CA 1.815 56.990 55.300 -0.208 0.000 1.122 591 M CB -0.165 32.185 32.600 -0.415 0.000 1.365 591 M HN 0.242 nan 8.290 nan 0.000 0.411 592 H N -0.414 118.543 119.070 -0.189 0.000 2.539 592 H HA 0.257 4.812 4.556 -0.001 0.000 0.267 592 H C 1.801 177.141 175.328 0.020 0.000 0.982 592 H CA 0.732 56.680 56.048 -0.167 0.000 1.146 592 H CB -0.409 29.172 29.762 -0.301 0.000 1.382 592 H HN 0.463 nan 8.280 nan 0.000 0.577 593 A N 0.592 123.490 122.820 0.130 0.000 2.070 593 A HA -0.103 4.216 4.320 -0.001 0.000 0.220 593 A C 1.935 179.720 177.584 0.335 0.000 1.159 593 A CA 0.885 53.009 52.037 0.144 0.000 0.656 593 A CB -0.318 18.668 19.000 -0.024 0.000 0.800 593 A HN 0.191 nan 8.150 nan 0.000 0.453 594 I N 0.120 120.875 120.570 0.308 0.000 3.684 594 I HA 0.051 4.221 4.170 -0.001 0.000 0.304 594 I C 0.614 176.863 176.117 0.221 0.000 1.278 594 I CA -0.814 60.655 61.300 0.281 0.000 1.272 594 I CB -1.393 36.725 38.000 0.195 0.000 1.029 594 I HN 0.281 nan 8.210 nan 0.000 0.458 595 N N 1.584 120.458 118.700 0.289 0.000 2.359 595 N HA -0.112 4.627 4.740 -0.001 0.000 0.261 595 N C 0.746 176.324 175.510 0.114 0.000 1.267 595 N CA 0.507 53.724 53.050 0.278 0.000 0.864 595 N CB 0.114 38.721 38.487 0.199 0.000 1.063 595 N HN 0.143 nan 8.380 nan 0.000 0.474 596 R N 0.627 121.169 120.500 0.070 0.000 4.023 596 R HA -0.261 4.078 4.340 -0.001 0.000 0.368 596 R C -0.084 176.137 176.300 -0.132 0.000 1.187 596 R CA 1.310 57.403 56.100 -0.012 0.000 1.089 596 R CB -1.206 29.099 30.300 0.010 0.000 1.574 596 R HN 0.645 nan 8.270 nan 0.000 0.564 597 R N 0.853 121.260 120.500 -0.154 0.000 2.748 597 R HA 0.268 4.607 4.340 -0.001 0.000 0.395 597 R C -0.142 176.128 176.300 -0.051 0.000 1.128 597 R CA -0.362 55.506 56.100 -0.387 0.000 1.042 597 R CB 0.510 30.603 30.300 -0.345 0.000 1.392 597 R HN 0.063 nan 8.270 nan 0.000 0.582 598 L N 0.217 121.496 121.223 0.094 0.000 2.543 598 L HA -0.019 4.320 4.340 -0.001 0.000 0.285 598 L C 1.347 178.503 176.870 0.477 0.000 1.236 598 L CA 1.161 56.134 54.840 0.220 0.000 0.871 598 L CB 0.184 42.203 42.059 -0.066 0.000 1.121 598 L HN 0.612 nan 8.230 nan 0.000 0.501 599 G N 1.072 110.167 108.800 0.492 0.000 2.132 599 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.234 599 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.234 599 G C 0.391 175.388 174.900 0.161 0.000 0.989 599 G CA 0.483 45.792 45.100 0.349 0.000 0.676 599 G HN 0.854 nan 8.290 nan 0.000 0.522 600 T N -3.499 111.114 114.554 0.097 0.000 2.638 600 T HA 0.488 4.837 4.350 -0.001 0.000 0.169 600 T C 1.618 176.323 174.700 0.009 0.000 0.790 600 T CA 0.845 62.895 62.100 -0.082 0.000 1.151 600 T CB -0.086 68.517 68.868 -0.441 0.000 2.581 600 T HN 0.200 nan 8.240 nan 0.000 0.391 601 F N 3.609 123.600 119.950 0.068 0.000 2.111 601 F HA -0.102 4.425 4.527 -0.001 0.000 0.300 601 F C 2.769 178.607 175.800 0.063 0.000 1.088 601 F CA 1.722 59.752 58.000 0.051 0.000 1.243 601 F CB -0.774 38.252 39.000 0.045 0.000 0.996 601 F HN 0.585 nan 8.300 nan 0.000 0.483 602 E N 0.496 120.861 120.200 0.276 0.000 2.204 602 E HA -0.110 4.239 4.350 -0.001 0.000 0.194 602 E C 2.066 178.778 176.600 0.187 0.000 0.989 602 E CA 1.481 58.017 56.400 0.226 0.000 0.824 602 E CB -0.890 28.958 29.700 0.246 0.000 0.756 602 E HN 0.325 nan 8.360 nan 0.000 0.477 603 V N 1.495 121.492 119.914 0.140 0.000 2.379 603 V HA -0.142 3.977 4.120 -0.001 0.000 0.243 603 V C 2.311 178.447 176.094 0.071 0.000 1.035 603 V CA 1.704 64.043 62.300 0.064 0.000 1.035 603 V CB -0.529 31.288 31.823 -0.010 0.000 0.673 603 V HN 0.159 nan 8.190 nan 0.000 0.457 604 E N 0.320 120.576 120.200 0.092 0.000 2.118 604 E HA -0.258 4.092 4.350 -0.001 0.000 0.195 604 E C 1.874 178.510 176.600 0.061 0.000 0.992 604 E CA 1.626 58.076 56.400 0.082 0.000 0.804 604 E CB -0.135 29.645 29.700 0.132 0.000 0.741 604 E HN 0.577 nan 8.360 nan 0.000 0.458 605 D N 0.020 120.476 120.400 0.094 0.000 2.183 605 D HA -0.106 4.533 4.640 -0.001 0.000 0.203 605 D C 1.975 178.278 176.300 0.005 0.000 0.969 605 D CA 0.629 54.663 54.000 0.058 0.000 0.842 605 D CB -0.064 40.824 40.800 0.145 0.000 0.957 605 D HN 0.092 nan 8.370 nan 0.000 0.484 606 Q N 0.286 120.155 119.800 0.115 0.000 2.124 606 Q HA -0.052 4.287 4.340 -0.001 0.000 0.202 606 Q C 2.527 178.551 176.000 0.041 0.000 0.977 606 Q CA 0.522 56.395 55.803 0.117 0.000 0.850 606 Q CB -0.101 28.737 28.738 0.166 0.000 0.901 606 Q HN 0.421 nan 8.270 nan 0.000 0.429 607 I N 0.665 121.279 120.570 0.072 0.000 2.142 607 I HA -0.268 3.901 4.170 -0.001 0.000 0.240 607 I C 2.399 178.466 176.117 -0.083 0.000 1.078 607 I CA 1.231 62.604 61.300 0.121 0.000 1.343 607 I CB -0.220 37.843 38.000 0.106 0.000 1.046 607 I HN 0.149 nan 8.210 nan 0.000 0.405 608 E N 1.420 121.528 120.200 -0.154 0.000 2.160 608 E HA -0.219 4.130 4.350 -0.001 0.000 0.195 608 E C 1.990 178.314 176.600 -0.461 0.000 0.991 608 E CA 1.705 57.955 56.400 -0.250 0.000 0.810 608 E CB -0.153 29.424 29.700 -0.206 0.000 0.742 608 E HN 0.449 nan 8.360 nan 0.000 0.466 609 A N 0.245 122.644 122.820 -0.701 0.000 2.014 609 A HA 0.141 4.460 4.320 -0.001 0.000 0.218 609 A C 2.354 179.213 177.584 -1.209 0.000 1.163 609 A CA 1.490 52.806 52.037 -1.202 0.000 0.652 609 A CB -0.646 17.238 19.000 -1.860 0.000 0.808 609 A HN 0.354 nan 8.150 nan 0.000 0.449 610 A N -0.091 122.373 122.820 -0.593 0.000 1.898 610 A HA -0.108 4.211 4.320 -0.001 0.000 0.216 610 A C 2.244 179.627 177.584 -0.334 0.000 1.181 610 A CA 1.328 53.165 52.037 -0.333 0.000 0.620 610 A CB -0.431 18.465 19.000 -0.173 0.000 0.819 610 A HN 0.504 nan 8.150 nan 0.000 0.442 611 R N -0.599 119.700 120.500 -0.335 0.000 2.082 611 R HA -0.159 4.180 4.340 -0.001 0.000 0.234 611 R C 2.561 178.703 176.300 -0.263 0.000 1.136 611 R CA 1.732 57.677 56.100 -0.260 0.000 0.935 611 R CB -0.472 29.700 30.300 -0.214 0.000 0.842 611 R HN 0.629 nan 8.270 nan 0.000 0.430 612 Q N -0.100 119.490 119.800 -0.350 0.000 2.047 612 Q HA -0.232 4.107 4.340 -0.001 0.000 0.211 612 Q C 2.123 178.007 176.000 -0.192 0.000 1.005 612 Q CA 1.784 57.407 55.803 -0.300 0.000 0.866 612 Q CB -0.448 28.054 28.738 -0.393 0.000 0.938 612 Q HN 0.276 nan 8.270 nan 0.000 0.414 613 F N 1.257 121.046 119.950 -0.267 0.000 2.111 613 F HA -0.270 4.256 4.527 -0.001 0.000 0.300 613 F C 2.653 178.276 175.800 -0.295 0.000 1.088 613 F CA 1.186 59.016 58.000 -0.282 0.000 1.243 613 F CB -1.309 37.564 39.000 -0.212 0.000 0.996 613 F HN 0.001 nan 8.300 nan 0.000 0.483 614 S N 0.245 115.908 115.700 -0.062 0.000 2.398 614 S HA -0.258 4.211 4.470 -0.001 0.000 0.220 614 S C 1.885 176.396 174.600 -0.148 0.000 1.038 614 S CA 1.528 59.656 58.200 -0.120 0.000 1.080 614 S CB -0.529 62.597 63.200 -0.124 0.000 1.039 614 S HN 0.303 nan 8.310 nan 0.000 0.419 615 K N 0.807 121.130 120.400 -0.128 0.000 2.054 615 K HA -0.234 4.086 4.320 -0.001 0.000 0.227 615 K C 0.628 177.139 176.600 -0.149 0.000 1.019 615 K CA 1.469 57.688 56.287 -0.115 0.000 0.978 615 K CB -0.820 31.621 32.500 -0.098 0.000 0.782 615 K HN 0.388 nan 8.250 nan 0.000 0.454 616 M N 1.295 120.773 119.600 -0.203 0.000 2.508 616 M HA -0.141 4.338 4.480 -0.001 0.000 0.447 616 M C 1.341 177.389 176.300 -0.421 0.000 1.654 616 M CA 0.515 55.600 55.300 -0.359 0.000 0.944 616 M CB -0.180 32.045 32.600 -0.625 0.000 2.088 616 M HN 0.445 nan 8.290 nan 0.000 0.506 617 G N 3.498 112.179 108.800 -0.198 0.000 2.564 617 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.217 617 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.217 617 G C 0.659 175.558 174.900 -0.002 0.000 1.120 617 G CA 0.358 45.413 45.100 -0.075 0.000 0.752 617 G HN 0.875 nan 8.290 nan 0.000 0.558 618 F N -0.806 119.207 119.950 0.106 0.000 2.639 618 F HA 0.649 5.175 4.527 -0.001 0.000 0.300 618 F C -0.293 175.640 175.800 0.220 0.000 1.109 618 F CA -1.514 56.594 58.000 0.180 0.000 1.335 618 F CB -0.018 39.155 39.000 0.288 0.000 1.014 618 F HN -0.156 nan 8.300 nan 0.000 0.537 619 V N 1.506 121.436 119.914 0.027 0.000 2.443 619 V HA 0.174 4.294 4.120 -0.001 0.000 0.293 619 V C -0.726 175.361 176.094 -0.010 0.000 1.021 619 V CA -0.875 61.449 62.300 0.040 0.000 0.848 619 V CB 1.455 33.225 31.823 -0.089 0.000 0.998 619 V HN 0.094 nan 8.190 nan 0.000 0.424 620 D N 4.000 124.395 120.400 -0.010 0.000 2.349 620 D HA -0.016 4.624 4.640 -0.001 0.000 0.266 620 D C 1.356 177.617 176.300 -0.065 0.000 1.293 620 D CA 0.230 54.196 54.000 -0.057 0.000 0.926 620 D CB 0.473 41.214 40.800 -0.098 0.000 1.090 620 D HN 0.772 nan 8.370 nan 0.000 0.502 621 N N 2.567 121.229 118.700 -0.062 0.000 2.521 621 N HA -0.085 4.654 4.740 -0.001 0.000 0.188 621 N C 0.647 176.126 175.510 -0.052 0.000 1.146 621 N CA 0.039 53.048 53.050 -0.069 0.000 0.893 621 N CB 0.253 38.691 38.487 -0.082 0.000 0.975 621 N HN 0.210 nan 8.380 nan 0.000 0.451 622 K N 0.098 120.475 120.400 -0.037 0.000 2.361 622 K HA 0.193 4.513 4.320 -0.001 0.000 0.194 622 K C 0.323 176.943 176.600 0.033 0.000 1.032 622 K CA 0.128 56.411 56.287 -0.007 0.000 1.048 622 K CB 0.582 33.076 32.500 -0.010 0.000 0.842 622 K HN 0.091 nan 8.250 nan 0.000 0.526 623 R N 1.323 121.822 120.500 -0.001 0.000 2.835 623 R HA 0.348 4.688 4.340 -0.001 0.000 0.290 623 R C -0.990 175.355 176.300 0.075 0.000 1.410 623 R CA -0.121 55.999 56.100 0.034 0.000 1.590 623 R CB 0.504 30.622 30.300 -0.303 0.000 1.288 623 R HN 0.009 nan 8.270 nan 0.000 0.637 624 I N 0.928 121.634 120.570 0.227 0.000 2.378 624 I HA 0.546 4.715 4.170 -0.001 0.000 0.291 624 I C 0.103 176.530 176.117 0.516 0.000 0.992 624 I CA -0.731 60.750 61.300 0.302 0.000 1.154 624 I CB 1.899 39.940 38.000 0.069 0.000 1.315 624 I HN 0.259 nan 8.210 nan 0.000 0.448 625 A N 6.855 130.062 122.820 0.645 0.000 2.387 625 A HA 0.941 5.261 4.320 -0.001 0.000 0.298 625 A C -1.109 176.802 177.584 0.544 0.000 1.165 625 A CA -0.661 51.702 52.037 0.543 0.000 0.814 625 A CB 2.095 21.279 19.000 0.307 0.000 1.357 625 A HN 0.734 nan 8.150 nan 0.000 0.443 626 I N -0.136 120.656 120.570 0.370 0.000 2.752 626 I HA 0.713 4.882 4.170 -0.001 0.000 0.295 626 I C -1.976 174.393 176.117 0.420 0.000 1.219 626 I CA -0.510 60.959 61.300 0.281 0.000 1.030 626 I CB 1.751 39.641 38.000 -0.185 0.000 1.259 626 I HN 0.960 nan 8.210 nan 0.000 0.423 627 W N 6.722 128.142 121.300 0.200 0.000 3.137 627 W HA 0.854 5.513 4.660 -0.001 0.000 0.324 627 W C -1.510 175.152 176.519 0.238 0.000 1.253 627 W CA -0.902 56.573 57.345 0.217 0.000 1.183 627 W CB 0.947 30.584 29.460 0.295 0.000 1.424 627 W HN 0.896 nan 8.180 nan 0.000 0.566 628 G N 0.573 109.278 108.800 -0.158 0.000 2.489 628 G HA2 0.424 4.383 3.960 -0.001 0.000 0.291 628 G HA3 0.424 4.383 3.960 -0.001 0.000 0.291 628 G C -2.718 172.120 174.900 -0.103 0.000 1.487 628 G CA -0.772 44.089 45.100 -0.397 0.000 0.795 628 G HN 0.620 nan 8.290 nan 0.000 0.513 629 W N 0.861 122.031 121.300 -0.216 0.000 2.706 629 W HA 0.620 5.279 4.660 -0.001 0.000 0.346 629 W C 1.024 177.567 176.519 0.039 0.000 1.071 629 W CA 0.523 57.819 57.345 -0.081 0.000 1.206 629 W CB 2.015 31.424 29.460 -0.086 0.000 1.413 629 W HN 1.209 nan 8.180 nan 0.000 0.542 630 S N 1.847 117.758 115.700 0.352 0.000 4.110 630 S HA -0.438 4.031 4.470 -0.001 0.000 0.573 630 S C 1.249 175.953 174.600 0.174 0.000 1.936 630 S CA 1.999 60.411 58.200 0.353 0.000 4.227 630 S CB -1.833 61.710 63.200 0.571 0.000 0.327 630 S HN 0.690 nan 8.310 nan 0.000 0.532 631 Y N 2.211 122.509 120.300 -0.003 0.000 2.193 631 Y HA -0.040 4.509 4.550 -0.001 0.000 0.285 631 Y C 2.411 178.247 175.900 -0.108 0.000 1.166 631 Y CA 2.578 60.577 58.100 -0.168 0.000 1.181 631 Y CB -1.033 37.122 38.460 -0.508 0.000 0.976 631 Y HN 0.542 nan 8.280 nan 0.000 0.520 632 G N -1.194 107.629 108.800 0.038 0.000 2.448 632 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.219 632 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.219 632 G C 1.859 176.779 174.900 0.034 0.000 1.127 632 G CA 0.707 45.855 45.100 0.080 0.000 0.766 632 G HN 0.571 nan 8.290 nan 0.000 0.552 633 G N -0.308 108.513 108.800 0.036 0.000 2.421 633 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.217 633 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.217 633 G C 1.553 176.458 174.900 0.009 0.000 1.143 633 G CA 0.961 46.068 45.100 0.012 0.000 0.784 633 G HN 0.433 nan 8.290 nan 0.000 0.541 634 Y N 1.187 121.374 120.300 -0.189 0.000 2.163 634 Y HA -0.030 4.519 4.550 -0.001 0.000 0.288 634 Y C 2.626 178.405 175.900 -0.202 0.000 1.136 634 Y CA 1.365 59.301 58.100 -0.273 0.000 1.147 634 Y CB -0.386 37.761 38.460 -0.521 0.000 0.987 634 Y HN 0.015 nan 8.280 nan 0.000 0.509 635 V N -0.152 119.604 119.914 -0.264 0.000 2.307 635 V HA -0.290 3.829 4.120 -0.001 0.000 0.245 635 V C 2.328 178.291 176.094 -0.219 0.000 1.045 635 V CA 2.435 64.569 62.300 -0.276 0.000 1.024 635 V CB -1.068 30.751 31.823 -0.006 0.000 0.651 635 V HN 0.494 nan 8.190 nan 0.000 0.449 636 T N 0.087 114.566 114.554 -0.125 0.000 2.665 636 T HA -0.228 4.121 4.350 -0.001 0.000 0.268 636 T C 2.107 176.719 174.700 -0.147 0.000 1.035 636 T CA 2.126 64.157 62.100 -0.116 0.000 1.151 636 T CB -0.312 68.562 68.868 0.010 0.000 0.862 636 T HN 0.541 nan 8.240 nan 0.000 0.438 637 S N 1.097 116.744 115.700 -0.089 0.000 2.368 637 S HA -0.034 4.436 4.470 -0.001 0.000 0.225 637 S C 2.137 176.623 174.600 -0.191 0.000 1.030 637 S CA 1.032 59.190 58.200 -0.069 0.000 0.999 637 S CB -0.296 62.937 63.200 0.054 0.000 0.844 637 S HN 0.354 nan 8.310 nan 0.000 0.459 638 M N 0.810 120.225 119.600 -0.308 0.000 2.175 638 M HA -0.001 4.478 4.480 -0.001 0.000 0.264 638 M C 2.242 178.382 176.300 -0.266 0.000 1.063 638 M CA 0.959 56.072 55.300 -0.312 0.000 1.119 638 M CB -1.260 31.050 32.600 -0.482 0.000 1.377 638 M HN 0.179 nan 8.290 nan 0.000 0.415 639 V N 0.911 120.659 119.914 -0.277 0.000 2.343 639 V HA -0.251 3.868 4.120 -0.001 0.000 0.247 639 V C 2.509 178.401 176.094 -0.336 0.000 1.051 639 V CA 1.458 63.594 62.300 -0.274 0.000 1.036 639 V CB -0.591 31.017 31.823 -0.359 0.000 0.654 639 V HN 0.413 nan 8.190 nan 0.000 0.451 640 L N 0.222 121.178 121.223 -0.444 0.000 2.131 640 L HA -0.080 4.259 4.340 -0.001 0.000 0.210 640 L C 2.253 178.635 176.870 -0.813 0.000 1.092 640 L CA 1.561 56.036 54.840 -0.607 0.000 0.759 640 L CB -0.744 40.846 42.059 -0.782 0.000 0.903 640 L HN 0.496 nan 8.230 nan 0.000 0.435 641 G N -1.397 106.975 108.800 -0.714 0.000 3.141 641 G HA2 -0.055 3.905 3.960 -0.001 0.000 0.218 641 G HA3 -0.055 3.905 3.960 -0.001 0.000 0.218 641 G C 1.487 176.253 174.900 -0.224 0.000 1.170 641 G CA 0.573 45.363 45.100 -0.517 0.000 0.769 641 G HN 0.455 nan 8.290 nan 0.000 0.546 642 S N -0.631 114.957 115.700 -0.186 0.000 2.461 642 S HA 0.292 4.761 4.470 -0.001 0.000 0.228 642 S C 1.876 176.440 174.600 -0.060 0.000 1.005 642 S CA 0.889 59.035 58.200 -0.090 0.000 0.942 642 S CB -0.080 63.088 63.200 -0.054 0.000 0.776 642 S HN 1.358 nan 8.310 nan 0.000 0.514 643 G N 1.424 110.180 108.800 -0.074 0.000 2.149 643 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.235 643 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.235 643 G C 0.891 175.781 174.900 -0.017 0.000 1.018 643 G CA 0.853 45.928 45.100 -0.043 0.000 0.728 643 G HN 1.092 nan 8.290 nan 0.000 0.508 644 S N -0.980 114.722 115.700 0.003 0.000 2.368 644 S HA 0.312 4.781 4.470 -0.001 0.000 0.224 644 S C 2.505 177.101 174.600 -0.007 0.000 1.029 644 S CA 1.948 60.157 58.200 0.013 0.000 0.988 644 S CB -0.138 63.099 63.200 0.062 0.000 0.838 644 S HN 2.438 nan 8.310 nan 0.000 0.462 645 G N -0.345 108.458 108.800 0.005 0.000 2.195 645 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.224 645 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.224 645 G C 0.756 175.618 174.900 -0.062 0.000 0.990 645 G CA 0.226 45.316 45.100 -0.018 0.000 0.639 645 G HN 0.703 nan 8.290 nan 0.000 0.514 646 V N -0.009 119.827 119.914 -0.130 0.000 2.719 646 V HA 0.311 4.430 4.120 -0.001 0.000 0.252 646 V C 1.029 176.795 176.094 -0.546 0.000 1.065 646 V CA 1.418 63.464 62.300 -0.424 0.000 1.086 646 V CB -0.439 30.935 31.823 -0.748 0.000 0.700 646 V HN 0.301 nan 8.190 nan 0.000 0.467 647 F N -0.518 119.443 119.950 0.019 0.000 2.480 647 F HA 0.464 4.990 4.527 -0.001 0.000 0.329 647 F C 0.982 176.817 175.800 0.059 0.000 1.091 647 F CA -0.925 57.113 58.000 0.062 0.000 0.972 647 F CB 1.724 40.763 39.000 0.065 0.000 1.150 647 F HN -0.316 nan 8.300 nan 0.000 0.467 648 K N 1.002 121.563 120.400 0.268 0.000 2.137 648 K HA 0.141 4.460 4.320 -0.001 0.000 0.202 648 K C -0.028 176.676 176.600 0.172 0.000 1.052 648 K CA 0.977 57.372 56.287 0.179 0.000 0.961 648 K CB 0.267 32.873 32.500 0.178 0.000 0.741 648 K HN 0.821 nan 8.250 nan 0.000 0.452 649 c N -3.207 115.521 118.600 0.213 0.000 3.293 649 c HA 0.913 5.482 4.570 -0.001 0.000 0.362 649 c C -0.327 173.940 174.090 0.295 0.000 1.539 649 c CA -0.496 55.968 56.329 0.224 0.000 1.201 649 c CB 1.041 43.596 42.510 0.076 0.000 1.770 649 c HN 0.356 nan 8.230 nan 0.000 0.440 650 G N -0.112 108.948 108.800 0.434 0.000 2.616 650 G HA2 0.620 4.579 3.960 -0.001 0.000 0.294 650 G HA3 0.620 4.579 3.960 -0.001 0.000 0.294 650 G C -1.902 173.266 174.900 0.447 0.000 1.489 650 G CA -0.648 44.696 45.100 0.407 0.000 0.836 650 G HN 0.990 nan 8.290 nan 0.000 0.527 651 I N 0.676 121.474 120.570 0.379 0.000 2.474 651 I HA 0.690 4.859 4.170 -0.001 0.000 0.294 651 I C 0.281 176.547 176.117 0.249 0.000 1.005 651 I CA -1.041 60.374 61.300 0.192 0.000 1.113 651 I CB 2.271 40.345 38.000 0.123 0.000 1.289 651 I HN 0.676 nan 8.210 nan 0.000 0.436 652 A N 6.083 128.947 122.820 0.074 0.000 2.332 652 A HA 0.741 5.060 4.320 -0.001 0.000 0.300 652 A C -0.943 176.556 177.584 -0.143 0.000 1.153 652 A CA -0.484 51.578 52.037 0.042 0.000 0.764 652 A CB 1.198 20.290 19.000 0.154 0.000 1.174 652 A HN 0.431 nan 8.150 nan 0.000 0.467 653 V N 2.019 121.781 119.914 -0.252 0.000 2.357 653 V HA 0.600 4.719 4.120 -0.001 0.000 0.284 653 V C 0.900 176.609 176.094 -0.642 0.000 1.018 653 V CA 0.409 62.355 62.300 -0.590 0.000 0.841 653 V CB 0.668 31.793 31.823 -1.163 0.000 0.991 653 V HN 2.227 nan 8.190 nan 0.000 0.437 654 A N 5.442 127.870 122.820 -0.652 0.000 2.791 654 A HA -0.088 4.231 4.320 -0.001 0.000 0.292 654 A C -1.659 175.752 177.584 -0.288 0.000 1.487 654 A CA 0.337 51.896 52.037 -0.797 0.000 0.760 654 A CB -1.775 16.905 19.000 -0.533 0.000 1.031 654 A HN 0.617 nan 8.150 nan 0.000 0.503 655 P HA 0.373 nan 4.420 nan 0.000 0.275 655 P C 0.319 177.576 177.300 -0.072 0.000 1.227 655 P CA 0.074 63.133 63.100 -0.067 0.000 0.781 655 P CB 1.258 32.946 31.700 -0.019 0.000 0.906 656 V N 2.726 122.507 119.914 -0.222 0.000 2.775 656 V HA 0.086 4.205 4.120 -0.001 0.000 0.299 656 V C 1.638 177.551 176.094 -0.303 0.000 1.062 656 V CA 0.999 63.032 62.300 -0.444 0.000 1.063 656 V CB 0.997 32.164 31.823 -1.093 0.000 0.994 656 V HN 0.842 nan 8.190 nan 0.000 0.483 657 S N 3.591 119.127 115.700 -0.272 0.000 2.631 657 S HA 0.339 4.808 4.470 -0.001 0.000 0.246 657 S C 0.485 174.927 174.600 -0.263 0.000 1.068 657 S CA -0.407 57.708 58.200 -0.141 0.000 0.995 657 S CB 0.384 63.560 63.200 -0.040 0.000 0.944 657 S HN 0.644 nan 8.310 nan 0.000 0.529 658 R N -0.724 119.498 120.500 -0.463 0.000 2.515 658 R HA 0.362 4.701 4.340 -0.001 0.000 0.278 658 R C -0.995 174.998 176.300 -0.512 0.000 1.107 658 R CA -0.644 55.140 56.100 -0.526 0.000 0.945 658 R CB 0.678 30.525 30.300 -0.755 0.000 1.219 658 R HN 0.275 nan 8.270 nan 0.000 0.434 659 W N 1.923 123.133 121.300 -0.149 0.000 2.392 659 W HA -0.085 4.575 4.660 -0.001 0.000 0.279 659 W C 1.286 177.922 176.519 0.195 0.000 1.225 659 W CA 0.706 58.038 57.345 -0.022 0.000 1.233 659 W CB 0.343 29.692 29.460 -0.186 0.000 1.122 659 W HN 0.701 nan 8.180 nan 0.000 0.561 660 E N -0.847 119.568 120.200 0.358 0.000 2.331 660 E HA -0.229 4.120 4.350 -0.001 0.000 0.199 660 E C 1.301 178.068 176.600 0.278 0.000 1.008 660 E CA 0.992 57.541 56.400 0.248 0.000 0.843 660 E CB -0.275 29.455 29.700 0.049 0.000 0.761 660 E HN 0.403 nan 8.360 nan 0.000 0.507 661 Y N -1.634 118.783 120.300 0.196 0.000 2.503 661 Y HA 0.061 4.610 4.550 -0.001 0.000 0.278 661 Y C 0.897 176.959 175.900 0.270 0.000 1.111 661 Y CA -0.328 57.870 58.100 0.163 0.000 1.270 661 Y CB -0.442 38.055 38.460 0.062 0.000 1.063 661 Y HN 0.025 nan 8.280 nan 0.000 0.548 662 Y N 2.111 122.597 120.300 0.311 0.000 2.344 662 Y HA 0.278 4.827 4.550 -0.001 0.000 0.330 662 Y C 0.364 176.496 175.900 0.386 0.000 1.330 662 Y CA -1.927 56.359 58.100 0.311 0.000 1.479 662 Y CB 0.195 38.861 38.460 0.344 0.000 1.428 662 Y HN 0.190 nan 8.280 nan 0.000 0.544 663 D N -0.789 119.323 120.400 -0.481 0.000 2.344 663 D HA 0.118 4.757 4.640 -0.001 0.000 0.244 663 D C 0.968 177.214 176.300 -0.090 0.000 1.134 663 D CA 0.300 54.089 54.000 -0.353 0.000 0.930 663 D CB 0.818 41.179 40.800 -0.731 0.000 1.175 663 D HN 0.464 nan 8.370 nan 0.000 0.437 664 S N 0.669 116.329 115.700 -0.067 0.000 2.356 664 S HA -0.209 4.260 4.470 -0.001 0.000 0.223 664 S C 1.912 176.504 174.600 -0.014 0.000 1.032 664 S CA 1.169 59.380 58.200 0.018 0.000 1.005 664 S CB -0.978 62.241 63.200 0.032 0.000 0.867 664 S HN 0.409 nan 8.310 nan 0.000 0.449 665 V N 0.587 120.432 119.914 -0.115 0.000 2.407 665 V HA -0.124 3.995 4.120 -0.001 0.000 0.248 665 V C 2.287 178.278 176.094 -0.171 0.000 1.055 665 V CA 2.045 64.207 62.300 -0.230 0.000 1.049 665 V CB -1.011 30.523 31.823 -0.480 0.000 0.662 665 V HN 0.641 nan 8.190 nan 0.000 0.455 666 Y N 1.098 121.297 120.300 -0.169 0.000 2.269 666 Y HA -0.138 4.412 4.550 -0.001 0.000 0.294 666 Y C 2.635 178.470 175.900 -0.108 0.000 1.120 666 Y CA 2.011 60.069 58.100 -0.069 0.000 1.159 666 Y CB -0.363 38.225 38.460 0.213 0.000 1.024 666 Y HN 0.182 nan 8.280 nan 0.000 0.532 667 T N 0.319 115.022 114.554 0.249 0.000 2.777 667 T HA -0.152 4.197 4.350 -0.001 0.000 0.266 667 T C 1.549 176.181 174.700 -0.114 0.000 1.040 667 T CA 1.808 64.004 62.100 0.159 0.000 1.141 667 T CB -0.192 68.895 68.868 0.365 0.000 0.868 667 T HN 0.417 nan 8.240 nan 0.000 0.444 668 E N 0.612 120.769 120.200 -0.072 0.000 2.204 668 E HA -0.024 4.325 4.350 -0.001 0.000 0.194 668 E C 2.540 178.982 176.600 -0.262 0.000 0.989 668 E CA 0.366 56.722 56.400 -0.072 0.000 0.824 668 E CB -0.010 29.706 29.700 0.025 0.000 0.756 668 E HN 0.269 nan 8.360 nan 0.000 0.477 669 R N -0.116 120.052 120.500 -0.552 0.000 2.119 669 R HA -0.197 4.142 4.340 -0.001 0.000 0.246 669 R C 1.684 177.415 176.300 -0.948 0.000 1.146 669 R CA 1.649 57.206 56.100 -0.905 0.000 0.962 669 R CB -0.184 29.059 30.300 -1.762 0.000 0.863 669 R HN 0.337 nan 8.270 nan 0.000 0.442 670 Y N -1.828 118.163 120.300 -0.516 0.000 2.500 670 Y HA 0.154 4.703 4.550 -0.001 0.000 0.284 670 Y C 2.052 177.781 175.900 -0.285 0.000 1.118 670 Y CA 0.258 58.060 58.100 -0.497 0.000 1.241 670 Y CB 0.033 38.088 38.460 -0.676 0.000 1.171 670 Y HN -0.135 nan 8.280 nan 0.000 0.540 671 M N -0.094 119.393 119.600 -0.189 0.000 2.428 671 M HA 0.314 4.793 4.480 -0.001 0.000 0.239 671 M C 1.234 177.566 176.300 0.054 0.000 1.121 671 M CA 0.807 56.011 55.300 -0.160 0.000 1.019 671 M CB -0.879 31.405 32.600 -0.525 0.000 1.485 671 M HN 0.406 nan 8.290 nan 0.000 0.484 672 G N 2.021 110.848 108.800 0.045 0.000 2.552 672 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.265 672 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.265 672 G C -0.442 174.581 174.900 0.204 0.000 1.234 672 G CA -0.511 44.650 45.100 0.102 0.000 0.944 672 G HN 0.385 nan 8.290 nan 0.000 0.568 673 L N 1.692 123.017 121.223 0.171 0.000 2.346 673 L HA 0.483 4.822 4.340 -0.001 0.000 0.274 673 L C -1.808 175.044 176.870 -0.029 0.000 1.007 673 L CA -2.019 52.872 54.840 0.085 0.000 0.818 673 L CB 2.624 44.695 42.059 0.019 0.000 1.284 673 L HN 0.356 nan 8.230 nan 0.000 0.424 674 P HA 0.042 nan 4.420 nan 0.000 0.249 674 P C -0.463 176.676 177.300 -0.268 0.000 1.686 674 P CA -0.013 62.664 63.100 -0.705 0.000 0.873 674 P CB -0.689 30.424 31.700 -0.978 0.000 1.828 675 T N -4.303 110.183 114.554 -0.114 0.000 2.912 675 T HA 0.462 4.811 4.350 -0.001 0.000 0.288 675 T C -2.208 172.482 174.700 -0.017 0.000 1.030 675 T CA -2.634 59.431 62.100 -0.059 0.000 1.020 675 T CB 1.911 70.755 68.868 -0.040 0.000 1.056 675 T HN -0.310 nan 8.240 nan 0.000 0.480 676 P HA -0.150 nan 4.420 nan 0.000 0.217 676 P C 1.301 178.610 177.300 0.016 0.000 1.148 676 P CA 1.095 64.200 63.100 0.009 0.000 0.828 676 P CB 0.143 31.845 31.700 0.003 0.000 0.783 677 E N -1.335 118.870 120.200 0.008 0.000 2.285 677 E HA -0.139 4.210 4.350 -0.001 0.000 0.194 677 E C 1.149 177.761 176.600 0.020 0.000 0.997 677 E CA 0.834 57.240 56.400 0.011 0.000 0.845 677 E CB -0.067 29.634 29.700 0.002 0.000 0.782 677 E HN 0.121 nan 8.360 nan 0.000 0.491 678 D N 0.232 120.648 120.400 0.028 0.000 3.066 678 D HA 0.044 4.683 4.640 -0.001 0.000 0.225 678 D C 0.475 176.824 176.300 0.082 0.000 1.397 678 D CA 0.047 54.075 54.000 0.048 0.000 1.344 678 D CB -0.107 40.719 40.800 0.044 0.000 0.934 678 D HN 0.082 nan 8.370 nan 0.000 0.202 679 N N 0.114 118.892 118.700 0.131 0.000 2.365 679 N HA 0.045 4.784 4.740 -0.001 0.000 0.257 679 N C 1.333 177.029 175.510 0.310 0.000 1.287 679 N CA -0.112 53.066 53.050 0.214 0.000 0.882 679 N CB 0.771 39.404 38.487 0.244 0.000 1.250 679 N HN 0.045 nan 8.380 nan 0.000 0.507 680 L N 1.261 122.574 121.223 0.150 0.000 2.021 680 L HA -0.217 4.122 4.340 -0.001 0.000 0.215 680 L C 1.382 178.350 176.870 0.163 0.000 1.074 680 L CA 2.089 56.989 54.840 0.100 0.000 0.760 680 L CB -0.421 41.642 42.059 0.007 0.000 0.889 680 L HN 0.196 nan 8.230 nan 0.000 0.433 681 D N -1.754 118.729 120.400 0.137 0.000 2.178 681 D HA -0.244 4.395 4.640 -0.001 0.000 0.201 681 D C 1.946 178.334 176.300 0.146 0.000 0.980 681 D CA 1.799 55.870 54.000 0.118 0.000 0.842 681 D CB -0.225 40.631 40.800 0.094 0.000 0.948 681 D HN 0.662 nan 8.370 nan 0.000 0.472 682 H N -0.868 118.273 119.070 0.118 0.000 2.512 682 H HA -0.011 4.544 4.556 -0.001 0.000 0.279 682 H C 1.654 177.060 175.328 0.131 0.000 0.999 682 H CA 0.737 56.839 56.048 0.090 0.000 1.283 682 H CB -0.127 29.659 29.762 0.041 0.000 1.421 682 H HN 0.032 nan 8.280 nan 0.000 0.554 683 Y N 0.445 120.739 120.300 -0.011 0.000 2.165 683 Y HA -0.163 4.386 4.550 -0.001 0.000 0.286 683 Y C 2.181 178.042 175.900 -0.065 0.000 1.155 683 Y CA 1.595 59.691 58.100 -0.007 0.000 1.164 683 Y CB 0.071 38.558 38.460 0.046 0.000 0.978 683 Y HN 0.097 nan 8.280 nan 0.000 0.513 684 R N -0.348 120.218 120.500 0.110 0.000 2.275 684 R HA -0.025 4.314 4.340 -0.001 0.000 0.199 684 R C 1.379 177.664 176.300 -0.024 0.000 0.989 684 R CA 0.600 56.719 56.100 0.031 0.000 1.016 684 R CB -0.240 30.079 30.300 0.032 0.000 0.918 684 R HN 0.132 nan 8.270 nan 0.000 0.473 685 N N -0.652 118.000 118.700 -0.080 0.000 2.280 685 N HA -0.019 4.720 4.740 -0.001 0.000 0.192 685 N C -0.387 175.040 175.510 -0.138 0.000 1.109 685 N CA 0.270 53.271 53.050 -0.083 0.000 0.855 685 N CB 0.490 38.964 38.487 -0.022 0.000 0.974 685 N HN 0.078 nan 8.380 nan 0.000 0.482 686 S N -1.552 114.037 115.700 -0.185 0.000 2.711 686 S HA 0.180 4.649 4.470 -0.001 0.000 0.247 686 S C 0.303 174.921 174.600 0.029 0.000 1.079 686 S CA -0.694 57.450 58.200 -0.093 0.000 1.050 686 S CB -0.527 62.574 63.200 -0.164 0.000 0.885 686 S HN 0.193 nan 8.310 nan 0.000 0.498 687 T N -1.988 112.552 114.554 -0.022 0.000 2.927 687 T HA 0.590 4.939 4.350 -0.001 0.000 0.281 687 T C 1.219 175.902 174.700 -0.027 0.000 0.998 687 T CA -0.625 61.454 62.100 -0.036 0.000 1.019 687 T CB 1.306 70.127 68.868 -0.078 0.000 1.061 687 T HN -0.060 nan 8.240 nan 0.000 0.518 688 V N 1.246 121.138 119.914 -0.036 0.000 2.407 688 V HA -0.081 4.038 4.120 -0.001 0.000 0.245 688 V C 2.666 178.719 176.094 -0.068 0.000 1.041 688 V CA 1.507 63.777 62.300 -0.050 0.000 1.040 688 V CB -0.901 30.890 31.823 -0.054 0.000 0.671 688 V HN 0.825 nan 8.190 nan 0.000 0.455 689 M N 1.185 120.734 119.600 -0.084 0.000 2.144 689 M HA -0.178 4.301 4.480 -0.001 0.000 0.260 689 M C 2.260 178.523 176.300 -0.062 0.000 1.067 689 M CA 2.254 57.498 55.300 -0.094 0.000 1.095 689 M CB -0.914 31.644 32.600 -0.070 0.000 1.365 689 M HN 0.522 nan 8.290 nan 0.000 0.406 690 S N -0.682 114.994 115.700 -0.039 0.000 2.561 690 S HA 0.000 4.469 4.470 -0.001 0.000 0.225 690 S C 1.666 176.265 174.600 -0.001 0.000 0.977 690 S CA 0.373 58.561 58.200 -0.021 0.000 0.926 690 S CB -0.349 62.841 63.200 -0.017 0.000 0.769 690 S HN 0.515 nan 8.310 nan 0.000 0.533 691 R N 0.289 120.799 120.500 0.016 0.000 2.427 691 R HA 0.426 4.766 4.340 -0.001 0.000 0.262 691 R C 2.023 178.411 176.300 0.148 0.000 0.943 691 R CA 0.434 56.575 56.100 0.068 0.000 1.081 691 R CB -0.144 30.199 30.300 0.072 0.000 1.166 691 R HN 0.492 nan 8.270 nan 0.000 0.534 692 A N 1.595 124.444 122.820 0.048 0.000 1.978 692 A HA -0.191 4.128 4.320 -0.001 0.000 0.220 692 A C 1.775 179.435 177.584 0.127 0.000 1.170 692 A CA 1.267 53.308 52.037 0.006 0.000 0.636 692 A CB -0.096 18.823 19.000 -0.136 0.000 0.810 692 A HN 0.225 nan 8.150 nan 0.000 0.448 693 E N 0.154 120.409 120.200 0.093 0.000 2.153 693 E HA -0.162 4.187 4.350 -0.001 0.000 0.194 693 E C 1.378 178.048 176.600 0.116 0.000 0.988 693 E CA 0.942 57.395 56.400 0.089 0.000 0.811 693 E CB -0.334 29.398 29.700 0.053 0.000 0.746 693 E HN 0.573 nan 8.360 nan 0.000 0.466 694 N N 0.532 119.304 118.700 0.120 0.000 2.289 694 N HA -0.110 4.629 4.740 -0.001 0.000 0.184 694 N C 1.464 176.992 175.510 0.031 0.000 1.016 694 N CA 0.604 53.682 53.050 0.047 0.000 0.872 694 N CB -0.398 38.075 38.487 -0.024 0.000 0.973 694 N HN 0.132 nan 8.380 nan 0.000 0.433 695 F N 2.169 122.084 119.950 -0.059 0.000 2.373 695 F HA -0.130 4.396 4.527 -0.001 0.000 0.300 695 F C 2.038 177.852 175.800 0.023 0.000 1.080 695 F CA 0.749 58.718 58.000 -0.052 0.000 1.417 695 F CB -0.374 38.573 39.000 -0.089 0.000 1.070 695 F HN 0.187 nan 8.300 nan 0.000 0.546 696 K N 0.220 120.730 120.400 0.184 0.000 2.362 696 K HA -0.241 4.078 4.320 -0.001 0.000 0.202 696 K C 1.397 178.058 176.600 0.102 0.000 1.045 696 K CA 1.626 57.996 56.287 0.139 0.000 0.936 696 K CB -0.636 31.925 32.500 0.101 0.000 0.747 696 K HN 0.395 nan 8.250 nan 0.000 0.467 697 Q N 1.134 120.971 119.800 0.063 0.000 2.432 697 Q HA 0.039 4.378 4.340 -0.001 0.000 0.205 697 Q C 0.757 176.783 176.000 0.043 0.000 0.945 697 Q CA 0.591 56.416 55.803 0.035 0.000 0.924 697 Q CB 0.545 29.282 28.738 -0.001 0.000 1.016 697 Q HN 0.383 nan 8.270 nan 0.000 0.503 698 V N -2.954 116.995 119.914 0.058 0.000 3.160 698 V HA 0.453 4.572 4.120 -0.001 0.000 0.310 698 V C -1.315 174.892 176.094 0.189 0.000 1.181 698 V CA -1.316 61.036 62.300 0.088 0.000 1.047 698 V CB 2.195 34.022 31.823 0.006 0.000 1.068 698 V HN -0.009 nan 8.190 nan 0.000 0.441 699 E N 1.346 121.681 120.200 0.224 0.000 2.174 699 E HA 0.471 4.820 4.350 -0.001 0.000 0.282 699 E C -1.857 175.084 176.600 0.569 0.000 0.992 699 E CA -0.453 56.156 56.400 0.347 0.000 0.803 699 E CB 1.934 31.765 29.700 0.218 0.000 1.090 699 E HN 0.685 nan 8.360 nan 0.000 0.396 700 Y N 3.114 123.682 120.300 0.445 0.000 2.350 700 Y HA 0.428 4.978 4.550 -0.001 0.000 0.338 700 Y C -1.676 174.319 175.900 0.158 0.000 0.961 700 Y CA -1.677 56.640 58.100 0.362 0.000 1.100 700 Y CB 1.138 39.856 38.460 0.431 0.000 1.179 700 Y HN 0.447 nan 8.280 nan 0.000 0.454 701 L N 7.769 128.805 121.223 -0.312 0.000 2.325 701 L HA 0.628 4.967 4.340 -0.001 0.000 0.281 701 L C -2.113 174.388 176.870 -0.615 0.000 1.004 701 L CA -0.783 53.662 54.840 -0.659 0.000 0.823 701 L CB 1.356 42.671 42.059 -1.240 0.000 1.236 701 L HN 0.629 nan 8.230 nan 0.000 0.415 702 L N 6.693 127.593 121.223 -0.539 0.000 2.325 702 L HA 0.714 5.053 4.340 -0.001 0.000 0.281 702 L C -1.213 175.530 176.870 -0.213 0.000 1.004 702 L CA -0.061 54.491 54.840 -0.479 0.000 0.823 702 L CB 1.279 43.020 42.059 -0.530 0.000 1.236 702 L HN 0.581 nan 8.230 nan 0.000 0.415 703 I N 4.167 124.631 120.570 -0.177 0.000 2.730 703 I HA 0.502 4.671 4.170 -0.001 0.000 0.298 703 I C -1.163 174.952 176.117 -0.003 0.000 1.089 703 I CA -0.748 60.505 61.300 -0.079 0.000 1.041 703 I CB 2.251 40.170 38.000 -0.134 0.000 1.235 703 I HN 0.681 nan 8.210 nan 0.000 0.423 704 H N 1.453 120.590 119.070 0.111 0.000 3.079 704 H HA 0.498 5.053 4.556 -0.001 0.000 0.356 704 H C -0.447 175.121 175.328 0.400 0.000 1.221 704 H CA -0.567 55.607 56.048 0.210 0.000 1.185 704 H CB 2.108 31.982 29.762 0.187 0.000 1.882 704 H HN 0.755 nan 8.280 nan 0.000 0.543 705 G N 0.266 109.412 108.800 0.578 0.000 2.395 705 G HA2 0.281 4.240 3.960 -0.001 0.000 0.283 705 G HA3 0.281 4.240 3.960 -0.001 0.000 0.283 705 G C 0.969 176.134 174.900 0.441 0.000 1.178 705 G CA 0.081 45.468 45.100 0.479 0.000 0.837 705 G HN 0.705 nan 8.290 nan 0.000 0.518 706 T N -1.206 113.455 114.554 0.178 0.000 3.129 706 T HA 0.263 4.612 4.350 -0.001 0.000 0.251 706 T C 1.461 176.125 174.700 -0.061 0.000 1.117 706 T CA 0.891 62.895 62.100 -0.161 0.000 1.034 706 T CB 0.360 69.001 68.868 -0.378 0.000 0.968 706 T HN 0.659 nan 8.240 nan 0.000 0.526 707 A N 1.073 123.936 122.820 0.071 0.000 2.713 707 A HA 0.329 4.649 4.320 -0.001 0.000 0.296 707 A C 0.307 177.848 177.584 -0.072 0.000 1.255 707 A CA -0.537 51.502 52.037 0.004 0.000 0.955 707 A CB -0.238 18.996 19.000 0.391 0.000 1.149 707 A HN 0.379 nan 8.150 nan 0.000 0.538 708 D N 1.573 121.976 120.400 0.005 0.000 2.358 708 D HA 0.006 4.646 4.640 -0.001 0.000 0.258 708 D C 0.173 176.417 176.300 -0.093 0.000 1.223 708 D CA 0.187 54.265 54.000 0.130 0.000 0.886 708 D CB 0.760 41.788 40.800 0.381 0.000 1.120 708 D HN 0.561 nan 8.370 nan 0.000 0.482 709 D N 2.146 122.540 120.400 -0.009 0.000 2.349 709 D HA -0.092 4.547 4.640 -0.001 0.000 0.214 709 D C 0.764 176.962 176.300 -0.170 0.000 1.063 709 D CA -0.188 53.754 54.000 -0.097 0.000 0.847 709 D CB 0.477 41.219 40.800 -0.096 0.000 0.933 709 D HN 0.212 nan 8.370 nan 0.000 0.513 710 N N 0.512 119.185 118.700 -0.044 0.000 2.622 710 N HA -0.023 4.717 4.740 -0.001 0.000 0.213 710 N C -0.262 175.137 175.510 -0.185 0.000 1.037 710 N CA 0.403 53.492 53.050 0.065 0.000 0.999 710 N CB 0.777 39.375 38.487 0.184 0.000 1.342 710 N HN -0.110 nan 8.380 nan 0.000 0.465 711 V N 2.853 122.614 119.914 -0.254 0.000 2.328 711 V HA 0.262 4.382 4.120 -0.001 0.000 0.278 711 V C -0.724 175.345 176.094 -0.042 0.000 1.021 711 V CA -0.578 61.623 62.300 -0.165 0.000 0.838 711 V CB 0.254 32.027 31.823 -0.083 0.000 0.999 711 V HN 0.291 nan 8.190 nan 0.000 0.447 712 H N 3.892 122.947 119.070 -0.025 0.000 2.928 712 H HA -0.007 4.548 4.556 -0.001 0.000 0.338 712 H C 0.756 175.934 175.328 -0.250 0.000 1.047 712 H CA 0.116 56.075 56.048 -0.149 0.000 1.435 712 H CB 0.660 30.261 29.762 -0.269 0.000 1.428 712 H HN 0.680 nan 8.280 nan 0.000 0.590 713 F N 2.529 122.276 119.950 -0.337 0.000 2.115 713 F HA -0.353 4.173 4.527 -0.001 0.000 0.300 713 F C 2.595 178.108 175.800 -0.478 0.000 1.092 713 F CA 2.011 59.577 58.000 -0.724 0.000 1.245 713 F CB -0.223 38.550 39.000 -0.378 0.000 0.995 713 F HN 0.712 nan 8.300 nan 0.000 0.481 714 Q N 0.127 119.795 119.800 -0.221 0.000 2.188 714 Q HA -0.388 3.951 4.340 -0.001 0.000 0.217 714 Q C 2.098 177.878 176.000 -0.366 0.000 1.018 714 Q CA 2.895 58.516 55.803 -0.304 0.000 0.910 714 Q CB -0.475 28.056 28.738 -0.346 0.000 0.979 714 Q HN 0.650 nan 8.270 nan 0.000 0.413 715 Q N -0.542 119.097 119.800 -0.269 0.000 2.124 715 Q HA -0.108 4.231 4.340 -0.001 0.000 0.202 715 Q C 2.203 178.115 176.000 -0.145 0.000 0.977 715 Q CA 1.729 57.489 55.803 -0.071 0.000 0.850 715 Q CB -0.008 28.763 28.738 0.055 0.000 0.901 715 Q HN 0.383 nan 8.270 nan 0.000 0.429 716 S N 1.031 116.541 115.700 -0.317 0.000 2.446 716 S HA 0.065 4.534 4.470 -0.001 0.000 0.225 716 S C 2.107 176.465 174.600 -0.403 0.000 1.016 716 S CA 0.577 58.594 58.200 -0.306 0.000 0.943 716 S CB -0.042 63.020 63.200 -0.230 0.000 0.786 716 S HN 0.446 nan 8.310 nan 0.000 0.508 717 A N 1.663 124.141 122.820 -0.570 0.000 1.940 717 A HA -0.152 4.168 4.320 -0.001 0.000 0.219 717 A C 2.150 179.624 177.584 -0.185 0.000 1.176 717 A CA 1.215 53.045 52.037 -0.345 0.000 0.631 717 A CB -0.375 18.465 19.000 -0.265 0.000 0.814 717 A HN 0.354 nan 8.150 nan 0.000 0.446 718 Q N -0.798 118.907 119.800 -0.158 0.000 2.269 718 Q HA 0.107 4.446 4.340 -0.001 0.000 0.201 718 Q C 2.062 177.999 176.000 -0.105 0.000 0.946 718 Q CA 0.635 56.395 55.803 -0.072 0.000 0.877 718 Q CB -0.165 28.607 28.738 0.056 0.000 0.963 718 Q HN 0.781 nan 8.270 nan 0.000 0.472 719 I N 1.141 121.621 120.570 -0.150 0.000 2.202 719 I HA -0.272 3.897 4.170 -0.001 0.000 0.242 719 I C 2.473 178.402 176.117 -0.312 0.000 1.091 719 I CA 1.511 62.682 61.300 -0.216 0.000 1.368 719 I CB -0.363 37.518 38.000 -0.198 0.000 1.058 719 I HN 0.163 nan 8.210 nan 0.000 0.410 720 S N 0.731 116.253 115.700 -0.295 0.000 2.399 720 S HA -0.256 4.213 4.470 -0.001 0.000 0.231 720 S C 2.007 176.535 174.600 -0.120 0.000 1.022 720 S CA 1.335 59.346 58.200 -0.314 0.000 0.983 720 S CB -0.393 62.807 63.200 -0.001 0.000 0.803 720 S HN 0.386 nan 8.310 nan 0.000 0.480 721 K N 1.654 122.005 120.400 -0.082 0.000 2.097 721 K HA 0.111 4.430 4.320 -0.001 0.000 0.205 721 K C 2.278 178.846 176.600 -0.053 0.000 1.050 721 K CA 1.017 57.283 56.287 -0.034 0.000 0.938 721 K CB -0.632 31.850 32.500 -0.031 0.000 0.718 721 K HN 0.426 nan 8.250 nan 0.000 0.442 722 A N 1.162 123.921 122.820 -0.102 0.000 1.902 722 A HA -0.098 4.221 4.320 -0.001 0.000 0.217 722 A C 2.061 179.571 177.584 -0.124 0.000 1.181 722 A CA 1.262 53.236 52.037 -0.105 0.000 0.623 722 A CB -0.615 18.308 19.000 -0.128 0.000 0.818 722 A HN 0.319 nan 8.150 nan 0.000 0.443 723 L N -0.614 120.481 121.223 -0.214 0.000 2.131 723 L HA -0.148 4.192 4.340 -0.001 0.000 0.210 723 L C 2.459 179.338 176.870 0.016 0.000 1.092 723 L CA 0.836 55.566 54.840 -0.184 0.000 0.759 723 L CB -0.619 41.188 42.059 -0.421 0.000 0.903 723 L HN 0.235 nan 8.230 nan 0.000 0.435 724 V N -0.240 119.708 119.914 0.057 0.000 2.270 724 V HA -0.259 3.860 4.120 -0.001 0.000 0.245 724 V C 1.992 178.118 176.094 0.053 0.000 1.043 724 V CA 1.840 64.203 62.300 0.105 0.000 1.014 724 V CB -0.483 31.403 31.823 0.105 0.000 0.645 724 V HN 0.414 nan 8.190 nan 0.000 0.447 725 D N -0.364 120.049 120.400 0.022 0.000 2.315 725 D HA -0.123 4.517 4.640 -0.001 0.000 0.211 725 D C 1.634 177.944 176.300 0.018 0.000 0.977 725 D CA 1.035 55.044 54.000 0.014 0.000 0.894 725 D CB 0.056 40.856 40.800 0.001 0.000 0.910 725 D HN 0.358 nan 8.370 nan 0.000 0.490 726 V N -0.981 118.945 119.914 0.021 0.000 3.528 726 V HA 0.254 4.373 4.120 -0.001 0.000 0.294 726 V C 1.267 177.389 176.094 0.046 0.000 1.404 726 V CA 0.682 62.998 62.300 0.027 0.000 1.065 726 V CB 0.610 32.443 31.823 0.016 0.000 0.904 726 V HN 0.324 nan 8.190 nan 0.000 0.435 727 G N 0.813 109.648 108.800 0.059 0.000 2.149 727 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.235 727 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.235 727 G C -0.000 174.956 174.900 0.094 0.000 1.018 727 G CA 0.197 45.338 45.100 0.069 0.000 0.728 727 G HN 0.468 nan 8.290 nan 0.000 0.508 728 V N 0.627 120.617 119.914 0.127 0.000 2.370 728 V HA 0.533 4.652 4.120 -0.001 0.000 0.283 728 V C 0.296 176.549 176.094 0.266 0.000 1.023 728 V CA -0.630 61.776 62.300 0.175 0.000 0.857 728 V CB 1.759 33.684 31.823 0.170 0.000 0.985 728 V HN 0.398 nan 8.190 nan 0.000 0.443 729 D N 3.941 124.478 120.400 0.229 0.000 2.304 729 D HA 0.569 5.208 4.640 -0.001 0.000 0.247 729 D C -0.550 175.957 176.300 0.344 0.000 1.089 729 D CA 0.127 54.247 54.000 0.200 0.000 0.910 729 D CB 0.858 41.717 40.800 0.099 0.000 1.199 729 D HN 0.368 nan 8.370 nan 0.000 0.426 730 F N -0.595 119.427 119.950 0.119 0.000 2.745 730 F HA 0.523 5.049 4.527 -0.001 0.000 0.316 730 F C -1.181 174.667 175.800 0.081 0.000 1.155 730 F CA -1.072 57.020 58.000 0.152 0.000 0.937 730 F CB 0.736 39.851 39.000 0.191 0.000 1.361 730 F HN 0.235 nan 8.300 nan 0.000 0.472 731 Q N 0.884 120.744 119.800 0.100 0.000 2.297 731 Q HA 0.889 5.229 4.340 -0.001 0.000 0.268 731 Q C -1.271 174.730 176.000 0.001 0.000 1.045 731 Q CA -1.299 54.465 55.803 -0.064 0.000 0.861 731 Q CB 2.458 31.204 28.738 0.012 0.000 1.344 731 Q HN 1.009 nan 8.270 nan 0.000 0.452 732 A N 1.291 124.082 122.820 -0.049 0.000 2.587 732 A HA 0.872 5.191 4.320 -0.001 0.000 0.293 732 A C -1.688 175.847 177.584 -0.083 0.000 1.087 732 A CA -0.542 51.501 52.037 0.009 0.000 0.692 732 A CB 1.965 21.033 19.000 0.112 0.000 1.291 732 A HN 0.640 nan 8.150 nan 0.000 0.407 733 M N 0.979 120.517 119.600 -0.104 0.000 2.333 733 M HA 0.621 5.100 4.480 -0.001 0.000 0.286 733 M C -2.197 173.973 176.300 -0.217 0.000 1.113 733 M CA -0.246 54.843 55.300 -0.353 0.000 0.959 733 M CB 1.185 33.464 32.600 -0.534 0.000 1.776 733 M HN 1.156 nan 8.290 nan 0.000 0.492 734 W N 3.697 124.834 121.300 -0.273 0.000 2.647 734 W HA 0.824 5.483 4.660 -0.001 0.000 0.353 734 W C -2.216 174.078 176.519 -0.375 0.000 1.080 734 W CA -0.947 56.334 57.345 -0.107 0.000 1.208 734 W CB 0.577 30.028 29.460 -0.015 0.000 1.396 734 W HN 0.606 nan 8.180 nan 0.000 0.573 735 Y N 1.954 122.402 120.300 0.247 0.000 2.332 735 Y HA 0.335 4.884 4.550 -0.001 0.000 0.326 735 Y C 0.663 176.704 175.900 0.234 0.000 0.978 735 Y CA -1.134 57.021 58.100 0.090 0.000 1.205 735 Y CB 1.799 40.286 38.460 0.045 0.000 1.131 735 Y HN 0.644 nan 8.280 nan 0.000 0.462 736 T N 0.835 115.607 114.554 0.362 0.000 2.870 736 T HA 0.179 4.528 4.350 -0.001 0.000 0.300 736 T C 0.323 175.127 174.700 0.173 0.000 0.989 736 T CA 0.108 62.375 62.100 0.278 0.000 1.139 736 T CB 0.283 69.284 68.868 0.221 0.000 0.920 736 T HN 0.765 nan 8.240 nan 0.000 0.537 737 D N 0.846 121.315 120.400 0.116 0.000 3.079 737 D HA -0.111 4.528 4.640 -0.001 0.000 0.214 737 D C -0.049 176.394 176.300 0.237 0.000 1.145 737 D CA 1.207 55.238 54.000 0.051 0.000 0.958 737 D CB -0.688 39.971 40.800 -0.236 0.000 1.117 737 D HN 0.741 nan 8.370 nan 0.000 0.416 738 E N 0.619 120.972 120.200 0.255 0.000 2.250 738 E HA 0.433 4.782 4.350 -0.001 0.000 0.269 738 E C 0.803 177.584 176.600 0.302 0.000 1.018 738 E CA -0.402 56.162 56.400 0.274 0.000 0.873 738 E CB 1.341 31.188 29.700 0.245 0.000 1.134 738 E HN 0.298 nan 8.360 nan 0.000 0.403 739 D N -0.823 119.765 120.400 0.314 0.000 2.466 739 D HA 0.017 4.657 4.640 -0.001 0.000 0.271 739 D C 1.033 177.564 176.300 0.385 0.000 1.193 739 D CA -0.098 54.107 54.000 0.342 0.000 1.103 739 D CB -0.274 40.748 40.800 0.371 0.000 1.184 739 D HN 0.396 nan 8.370 nan 0.000 0.593 740 H N -1.754 117.487 119.070 0.285 0.000 2.495 740 H HA 0.241 4.796 4.556 -0.001 0.000 0.287 740 H C 1.782 177.355 175.328 0.409 0.000 1.033 740 H CA 1.724 57.959 56.048 0.311 0.000 1.307 740 H CB -0.202 29.723 29.762 0.271 0.000 1.401 740 H HN 0.461 nan 8.280 nan 0.000 0.555 741 G N -0.423 108.553 108.800 0.293 0.000 3.088 741 G HA2 0.074 4.034 3.960 -0.001 0.000 0.217 741 G HA3 0.074 4.034 3.960 -0.001 0.000 0.217 741 G C 0.468 175.524 174.900 0.260 0.000 1.159 741 G CA 0.057 45.253 45.100 0.160 0.000 0.760 741 G HN 0.453 nan 8.290 nan 0.000 0.550 742 I N 0.310 121.077 120.570 0.328 0.000 3.121 742 I HA -0.344 3.825 4.170 -0.001 0.000 0.126 742 I C 1.590 177.831 176.117 0.206 0.000 0.937 742 I CA 0.223 61.675 61.300 0.253 0.000 2.771 742 I CB -0.956 37.192 38.000 0.245 0.000 0.913 742 I HN 0.246 nan 8.210 nan 0.000 0.349 743 A N 1.782 124.696 122.820 0.157 0.000 2.390 743 A HA 0.258 4.577 4.320 -0.001 0.000 0.232 743 A C 1.176 178.802 177.584 0.069 0.000 1.233 743 A CA 0.501 52.596 52.037 0.096 0.000 0.907 743 A CB 0.174 19.202 19.000 0.047 0.000 0.967 743 A HN 0.627 nan 8.150 nan 0.000 0.512 744 S N 0.810 116.564 115.700 0.090 0.000 2.563 744 S HA 0.139 4.608 4.470 -0.001 0.000 0.284 744 S C 1.351 175.993 174.600 0.070 0.000 1.331 744 S CA 0.218 58.462 58.200 0.072 0.000 1.047 744 S CB 0.810 64.059 63.200 0.082 0.000 0.859 744 S HN 0.851 nan 8.310 nan 0.000 0.514 745 S N 2.083 117.810 115.700 0.045 0.000 2.365 745 S HA -0.240 4.229 4.470 -0.001 0.000 0.225 745 S C 2.081 176.729 174.600 0.081 0.000 1.039 745 S CA 1.630 59.862 58.200 0.053 0.000 1.033 745 S CB -2.059 61.153 63.200 0.019 0.000 0.887 745 S HN 1.093 nan 8.310 nan 0.000 0.447 746 T N 0.962 115.553 114.554 0.061 0.000 2.684 746 T HA 0.041 4.390 4.350 -0.001 0.000 0.267 746 T C 2.015 176.752 174.700 0.062 0.000 1.036 746 T CA 1.357 63.494 62.100 0.061 0.000 1.148 746 T CB -1.028 67.868 68.868 0.047 0.000 0.863 746 T HN 0.610 nan 8.240 nan 0.000 0.436 747 A N 1.059 123.894 122.820 0.026 0.000 2.015 747 A HA -0.030 4.290 4.320 -0.001 0.000 0.219 747 A C 2.163 179.686 177.584 -0.100 0.000 1.163 747 A CA 1.872 53.844 52.037 -0.109 0.000 0.646 747 A CB -1.057 17.828 19.000 -0.192 0.000 0.806 747 A HN 0.827 nan 8.150 nan 0.000 0.448 748 H N -0.068 118.978 119.070 -0.041 0.000 2.333 748 H HA -0.066 4.489 4.556 -0.001 0.000 0.302 748 H C 2.109 177.492 175.328 0.092 0.000 1.075 748 H CA 1.973 58.052 56.048 0.053 0.000 1.348 748 H CB -0.171 29.633 29.762 0.070 0.000 1.393 748 H HN 0.560 nan 8.280 nan 0.000 0.509 749 Q N -0.871 118.947 119.800 0.030 0.000 2.096 749 Q HA -0.250 4.089 4.340 -0.001 0.000 0.204 749 Q C 2.101 178.090 176.000 -0.019 0.000 0.982 749 Q CA 1.841 57.621 55.803 -0.039 0.000 0.850 749 Q CB -0.336 28.411 28.738 0.015 0.000 0.901 749 Q HN 0.674 nan 8.270 nan 0.000 0.422 750 H N 0.573 119.611 119.070 -0.053 0.000 2.395 750 H HA 0.006 4.561 4.556 -0.001 0.000 0.299 750 H C 1.887 177.214 175.328 -0.001 0.000 1.070 750 H CA 1.252 57.301 56.048 0.001 0.000 1.356 750 H CB 0.106 29.910 29.762 0.069 0.000 1.401 750 H HN 0.265 nan 8.280 nan 0.000 0.524 751 I N -0.624 119.912 120.570 -0.058 0.000 2.500 751 I HA -0.228 3.941 4.170 -0.001 0.000 0.252 751 I C 1.098 177.049 176.117 -0.278 0.000 1.142 751 I CA 0.994 62.219 61.300 -0.124 0.000 1.451 751 I CB -0.093 37.684 38.000 -0.373 0.000 1.093 751 I HN 0.264 nan 8.210 nan 0.000 0.430 752 Y N 1.096 121.212 120.300 -0.307 0.000 2.314 752 Y HA -0.148 4.401 4.550 -0.001 0.000 0.293 752 Y C 2.673 178.418 175.900 -0.258 0.000 1.129 752 Y CA 1.722 59.553 58.100 -0.448 0.000 1.201 752 Y CB -0.681 37.482 38.460 -0.495 0.000 0.999 752 Y HN 0.132 nan 8.280 nan 0.000 0.541 753 T N -1.678 112.821 114.554 -0.092 0.000 2.777 753 T HA -0.222 4.127 4.350 -0.001 0.000 0.266 753 T C 1.553 176.147 174.700 -0.176 0.000 1.040 753 T CA 1.860 63.861 62.100 -0.165 0.000 1.141 753 T CB -0.408 68.353 68.868 -0.178 0.000 0.868 753 T HN 0.426 nan 8.240 nan 0.000 0.444 754 H N 0.844 119.781 119.070 -0.221 0.000 2.357 754 H HA 0.142 4.697 4.556 -0.001 0.000 0.301 754 H C 2.133 177.445 175.328 -0.025 0.000 1.082 754 H CA 1.426 57.414 56.048 -0.099 0.000 1.342 754 H CB -0.192 29.491 29.762 -0.131 0.000 1.389 754 H HN 0.251 nan 8.280 nan 0.000 0.511 755 M N -0.889 118.673 119.600 -0.063 0.000 2.200 755 M HA -0.127 4.352 4.480 -0.001 0.000 0.265 755 M C 2.410 178.833 176.300 0.204 0.000 1.066 755 M CA 1.186 56.448 55.300 -0.063 0.000 1.127 755 M CB 0.012 32.367 32.600 -0.408 0.000 1.379 755 M HN 0.182 nan 8.290 nan 0.000 0.420 756 S N -0.321 115.542 115.700 0.272 0.000 2.365 756 S HA -0.185 4.284 4.470 -0.001 0.000 0.225 756 S C 1.721 176.418 174.600 0.163 0.000 1.039 756 S CA 1.237 59.651 58.200 0.357 0.000 1.033 756 S CB -0.611 62.751 63.200 0.270 0.000 0.887 756 S HN 0.457 nan 8.310 nan 0.000 0.447 757 H N -0.179 118.957 119.070 0.110 0.000 2.319 757 H HA -0.073 4.482 4.556 -0.001 0.000 0.299 757 H C 1.961 177.308 175.328 0.032 0.000 1.092 757 H CA 1.466 57.536 56.048 0.037 0.000 1.302 757 H CB -0.846 28.890 29.762 -0.044 0.000 1.373 757 H HN 0.507 nan 8.280 nan 0.000 0.497 758 F N 0.951 120.891 119.950 -0.015 0.000 2.171 758 F HA -0.164 4.362 4.527 -0.001 0.000 0.300 758 F C 2.159 177.916 175.800 -0.072 0.000 1.090 758 F CA 0.803 58.761 58.000 -0.070 0.000 1.293 758 F CB -0.105 38.824 39.000 -0.118 0.000 1.013 758 F HN -0.043 nan 8.300 nan 0.000 0.486 759 I N 0.744 121.330 120.570 0.026 0.000 2.193 759 I HA -0.230 3.940 4.170 -0.001 0.000 0.240 759 I C 2.274 178.232 176.117 -0.265 0.000 1.084 759 I CA 1.233 62.383 61.300 -0.250 0.000 1.365 759 I CB -1.384 36.564 38.000 -0.086 0.000 1.064 759 I HN 0.145 nan 8.210 nan 0.000 0.410 760 K N 0.883 121.267 120.400 -0.026 0.000 2.032 760 K HA -0.303 4.017 4.320 -0.001 0.000 0.218 760 K C 2.000 178.610 176.600 0.018 0.000 1.054 760 K CA 2.546 58.867 56.287 0.057 0.000 0.941 760 K CB -0.534 32.042 32.500 0.127 0.000 0.720 760 K HN 0.458 nan 8.250 nan 0.000 0.449 761 Q N 0.951 120.732 119.800 -0.032 0.000 2.170 761 Q HA -0.146 4.194 4.340 -0.001 0.000 0.203 761 Q C 2.171 178.092 176.000 -0.131 0.000 0.976 761 Q CA 1.927 57.691 55.803 -0.063 0.000 0.858 761 Q CB -1.202 27.499 28.738 -0.062 0.000 0.907 761 Q HN 0.391 nan 8.270 nan 0.000 0.433 762 c N -0.446 117.968 118.600 -0.311 0.000 2.422 762 c HA 0.020 4.589 4.570 -0.001 0.000 0.279 762 c C 1.192 175.269 174.090 -0.021 0.000 1.305 762 c CA 0.348 56.478 56.329 -0.332 0.000 1.757 762 c CB -1.137 40.976 42.510 -0.661 0.000 1.962 762 c HN 0.589 nan 8.230 nan 0.000 0.499 763 F N 1.888 121.798 119.950 -0.067 0.000 2.684 763 F HA 0.278 4.804 4.527 -0.001 0.000 0.298 763 F C 1.417 177.202 175.800 -0.024 0.000 1.120 763 F CA -0.209 57.773 58.000 -0.030 0.000 1.332 763 F CB -1.173 37.818 39.000 -0.015 0.000 0.986 763 F HN 0.177 nan 8.300 nan 0.000 0.524 764 S N 0.959 116.742 115.700 0.138 0.000 3.491 764 S HA -0.235 4.235 4.470 -0.001 0.000 0.371 764 S C -0.147 174.499 174.600 0.076 0.000 0.980 764 S CA 0.302 58.548 58.200 0.076 0.000 1.204 764 S CB -2.116 61.116 63.200 0.054 0.000 0.915 764 S HN 0.294 nan 8.310 nan 0.000 0.482 765 L N 0.677 121.957 121.223 0.096 0.000 2.325 765 L HA 0.564 4.903 4.340 -0.001 0.000 0.281 765 L C -1.839 175.076 176.870 0.075 0.000 1.004 765 L CA -2.059 52.831 54.840 0.083 0.000 0.823 765 L CB 1.213 43.336 42.059 0.107 0.000 1.236 765 L HN 0.015 nan 8.230 nan 0.000 0.415 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.138 63.100 0.063 0.000 0.800 766 P CB 0.000 31.727 31.700 0.045 0.000 0.726