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 1u8e_1_B 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 KYPLLLDVFA 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 0.000 174.637 174.600 0.062 0.000 1.055 39 S CA 0.000 58.229 58.200 0.048 0.000 1.107 39 S CB 0.000 63.225 63.200 0.042 0.000 0.593 40 R N 0.925 121.464 120.500 0.064 0.000 1.709 40 R HA -0.105 4.235 4.340 0.000 0.000 0.388 40 R C -0.407 175.942 176.300 0.081 0.000 1.255 40 R CA 0.875 57.018 56.100 0.072 0.000 1.080 40 R CB -0.868 29.475 30.300 0.072 0.000 3.200 40 R HN 0.662 nan 8.270 nan 0.000 0.488 41 K N 2.752 123.205 120.400 0.088 0.000 2.118 41 K HA 0.305 4.625 4.320 0.000 0.000 0.240 41 K C -0.001 176.661 176.600 0.103 0.000 1.035 41 K CA 0.315 56.661 56.287 0.097 0.000 0.899 41 K CB 0.691 33.256 32.500 0.108 0.000 1.085 41 K HN 0.606 nan 8.250 nan 0.000 0.498 42 T N -2.473 112.149 114.554 0.113 0.000 2.884 42 T HA 0.202 4.552 4.350 0.000 0.000 0.277 42 T C -0.369 174.445 174.700 0.189 0.000 0.976 42 T CA -0.669 61.506 62.100 0.125 0.000 0.956 42 T CB 0.298 69.233 68.868 0.111 0.000 1.113 42 T HN 0.465 nan 8.240 nan 0.000 0.554 43 Y N 2.541 122.889 120.300 0.080 0.000 2.600 43 Y HA 0.359 4.909 4.550 0.000 0.000 0.351 43 Y C 0.908 176.960 175.900 0.252 0.000 1.042 43 Y CA -0.582 57.604 58.100 0.144 0.000 1.333 43 Y CB -0.493 38.012 38.460 0.074 0.000 1.172 43 Y HN 0.972 nan 8.280 nan 0.000 0.517 44 T N 2.502 117.066 114.554 0.017 0.000 2.882 44 T HA 0.088 4.438 4.350 0.000 0.000 0.287 44 T C 1.138 175.790 174.700 -0.079 0.000 1.014 44 T CA -0.728 61.434 62.100 0.104 0.000 1.049 44 T CB 1.235 70.136 68.868 0.056 0.000 1.001 44 T HN 0.706 nan 8.240 nan 0.000 0.525 45 L N 1.952 123.021 121.223 -0.257 0.000 2.043 45 L HA -0.057 4.283 4.340 0.000 0.000 0.212 45 L C 2.568 179.299 176.870 -0.230 0.000 1.075 45 L CA 2.241 56.710 54.840 -0.618 0.000 0.752 45 L CB -1.572 39.946 42.059 -0.902 0.000 0.891 45 L HN 0.973 nan 8.230 nan 0.000 0.432 46 T N -0.532 113.923 114.554 -0.166 0.000 2.746 46 T HA -0.167 4.183 4.350 0.000 0.000 0.267 46 T C 1.515 176.137 174.700 -0.129 0.000 1.039 46 T CA 1.452 63.482 62.100 -0.117 0.000 1.142 46 T CB -0.394 68.429 68.868 -0.074 0.000 0.866 46 T HN 0.420 nan 8.240 nan 0.000 0.444 47 D N 0.106 120.403 120.400 -0.171 0.000 2.104 47 D HA -0.108 4.532 4.640 0.000 0.000 0.194 47 D C 1.760 177.965 176.300 -0.159 0.000 0.994 47 D CA 1.116 54.986 54.000 -0.217 0.000 0.830 47 D CB -0.409 40.177 40.800 -0.357 0.000 0.959 47 D HN 0.399 nan 8.370 nan 0.000 0.452 48 Y N 1.549 121.651 120.300 -0.329 0.000 2.114 48 Y HA -0.122 4.428 4.550 0.000 0.000 0.284 48 Y C 2.240 178.146 175.900 0.010 0.000 1.143 48 Y CA 1.245 59.320 58.100 -0.042 0.000 1.135 48 Y CB -0.687 37.801 38.460 0.048 0.000 0.980 48 Y HN -0.090 nan 8.280 nan 0.000 0.499 49 L N -0.046 121.007 121.223 -0.283 0.000 2.141 49 L HA -0.172 4.168 4.340 0.000 0.000 0.209 49 L C 1.900 178.668 176.870 -0.170 0.000 1.094 49 L CA 1.289 55.945 54.840 -0.307 0.000 0.763 49 L CB -0.488 41.461 42.059 -0.184 0.000 0.908 49 L HN 0.059 nan 8.230 nan 0.000 0.437 50 K N -0.000 120.325 120.400 -0.125 0.000 2.404 50 K HA 0.037 4.357 4.320 0.000 0.000 0.194 50 K C 0.267 176.818 176.600 -0.081 0.000 1.023 50 K CA -0.107 56.125 56.287 -0.092 0.000 1.094 50 K CB -0.491 31.958 32.500 -0.085 0.000 0.841 50 K HN 0.153 nan 8.250 nan 0.000 0.523 51 N N 1.193 119.853 118.700 -0.066 0.000 2.714 51 N HA -0.175 4.565 4.740 0.000 0.000 0.253 51 N C 0.097 175.588 175.510 -0.032 0.000 1.024 51 N CA 0.967 54.016 53.050 -0.002 0.000 0.726 51 N CB -1.338 37.140 38.487 -0.016 0.000 0.908 51 N HN 0.105 nan 8.380 nan 0.000 0.542 52 T N -0.493 113.994 114.554 -0.112 0.000 2.777 52 T HA -0.117 4.233 4.350 0.000 0.000 0.266 52 T C 0.227 174.687 174.700 -0.401 0.000 1.040 52 T CA 1.410 63.312 62.100 -0.330 0.000 1.141 52 T CB -0.165 68.359 68.868 -0.575 0.000 0.868 52 T HN 0.410 nan 8.240 nan 0.000 0.444 53 Y N 1.727 122.128 120.300 0.169 0.000 2.491 53 Y HA 0.509 5.059 4.550 0.000 0.000 0.334 53 Y C 0.398 176.408 175.900 0.184 0.000 0.969 53 Y CA -1.223 56.994 58.100 0.195 0.000 1.241 53 Y CB 0.384 39.018 38.460 0.290 0.000 1.105 53 Y HN -0.092 nan 8.280 nan 0.000 0.503 54 R N 2.778 123.411 120.500 0.221 0.000 2.407 54 R HA 0.568 4.908 4.340 0.000 0.000 0.303 54 R C -1.378 175.027 176.300 0.175 0.000 0.981 54 R CA -0.907 55.296 56.100 0.171 0.000 0.905 54 R CB 0.699 31.058 30.300 0.097 0.000 1.099 54 R HN 0.556 nan 8.270 nan 0.000 0.459 55 L N 4.890 126.220 121.223 0.178 0.000 2.315 55 L HA 0.258 4.598 4.340 0.000 0.000 0.283 55 L C 0.133 177.088 176.870 0.140 0.000 1.089 55 L CA 0.374 55.322 54.840 0.180 0.000 0.833 55 L CB 0.905 43.092 42.059 0.212 0.000 1.170 55 L HN 0.442 nan 8.230 nan 0.000 0.442 56 K N 3.932 124.406 120.400 0.123 0.000 2.298 56 K HA 0.514 4.834 4.320 0.000 0.000 0.280 56 K C -0.721 175.916 176.600 0.061 0.000 1.032 56 K CA -0.623 55.709 56.287 0.074 0.000 0.958 56 K CB 0.870 33.405 32.500 0.059 0.000 0.978 56 K HN 0.206 nan 8.250 nan 0.000 0.472 57 L N 1.527 122.726 121.223 -0.039 0.000 2.299 57 L HA 0.413 4.753 4.340 0.000 0.000 0.268 57 L C -0.713 175.884 176.870 -0.456 0.000 1.012 57 L CA -0.733 53.976 54.840 -0.218 0.000 0.816 57 L CB 0.205 42.261 42.059 -0.005 0.000 1.355 57 L HN 0.479 nan 8.230 nan 0.000 0.457 58 Y N 0.123 119.888 120.300 -0.892 0.000 2.544 58 Y HA 0.420 4.970 4.550 0.000 0.000 0.347 58 Y C -0.151 175.637 175.900 -0.187 0.000 1.089 58 Y CA -0.549 57.257 58.100 -0.491 0.000 1.230 58 Y CB 1.115 39.140 38.460 -0.726 0.000 1.101 58 Y HN 0.532 nan 8.280 nan 0.000 0.641 59 S N 5.548 121.195 115.700 -0.089 0.000 2.510 59 S HA 0.533 5.003 4.470 0.000 0.000 0.279 59 S C -0.576 174.006 174.600 -0.031 0.000 1.284 59 S CA -0.359 57.825 58.200 -0.026 0.000 1.059 59 S CB -0.043 63.116 63.200 -0.068 0.000 0.901 59 S HN 0.717 nan 8.310 nan 0.000 0.491 60 L N 4.716 125.921 121.223 -0.031 0.000 2.350 60 L HA 0.797 5.137 4.340 0.000 0.000 0.260 60 L C -0.991 175.800 176.870 -0.130 0.000 1.015 60 L CA -0.970 53.776 54.840 -0.157 0.000 0.821 60 L CB 1.803 43.538 42.059 -0.541 0.000 1.370 60 L HN 0.562 nan 8.230 nan 0.000 0.416 61 R N 3.038 123.482 120.500 -0.095 0.000 2.507 61 R HA 0.279 4.619 4.340 0.000 0.000 0.298 61 R C -2.083 174.260 176.300 0.072 0.000 1.087 61 R CA -0.406 55.708 56.100 0.024 0.000 0.917 61 R CB 0.917 31.272 30.300 0.090 0.000 1.173 61 R HN 0.762 nan 8.270 nan 0.000 0.472 62 W N 5.916 127.330 121.300 0.190 0.000 2.368 62 W HA 0.149 4.809 4.660 0.000 0.000 0.316 62 W C 1.848 178.469 176.519 0.170 0.000 1.375 62 W CA -0.433 57.042 57.345 0.215 0.000 1.261 62 W CB 0.525 30.103 29.460 0.196 0.000 1.298 62 W HN 0.578 nan 8.180 nan 0.000 0.539 63 I N 0.347 121.150 120.570 0.388 0.000 3.708 63 I HA 0.199 4.369 4.170 0.000 0.000 0.302 63 I C 0.862 177.136 176.117 0.262 0.000 1.255 63 I CA 0.150 61.599 61.300 0.247 0.000 1.362 63 I CB -0.041 38.045 38.000 0.143 0.000 1.100 63 I HN 0.267 nan 8.210 nan 0.000 0.434 64 S N -0.241 115.672 115.700 0.354 0.000 2.880 64 S HA 0.308 4.778 4.470 0.000 0.000 0.308 64 S C 0.043 174.831 174.600 0.314 0.000 1.195 64 S CA -0.087 58.305 58.200 0.320 0.000 0.866 64 S CB 1.509 64.921 63.200 0.353 0.000 1.254 64 S HN 0.129 nan 8.310 nan 0.000 0.571 65 D N -1.039 119.490 120.400 0.215 0.000 2.348 65 D HA 0.180 4.820 4.640 0.000 0.000 0.211 65 D C 0.859 177.065 176.300 -0.158 0.000 0.998 65 D CA 0.961 54.902 54.000 -0.097 0.000 0.873 65 D CB 0.009 40.630 40.800 -0.298 0.000 0.925 65 D HN 0.628 nan 8.370 nan 0.000 0.524 66 H N -1.564 117.698 119.070 0.320 0.000 3.255 66 H HA 0.456 5.012 4.556 0.000 0.000 0.256 66 H C -0.099 175.386 175.328 0.261 0.000 1.049 66 H CA -0.239 55.988 56.048 0.297 0.000 1.202 66 H CB 0.506 30.404 29.762 0.227 0.000 1.497 66 H HN 0.018 nan 8.280 nan 0.000 0.503 67 E N 0.555 121.037 120.200 0.469 0.000 2.336 67 E HA 0.440 4.790 4.350 0.000 0.000 0.267 67 E C -1.388 175.418 176.600 0.344 0.000 0.906 67 E CA -1.294 55.272 56.400 0.277 0.000 0.781 67 E CB 2.868 32.670 29.700 0.170 0.000 1.261 67 E HN 0.213 nan 8.360 nan 0.000 0.436 68 Y N -1.086 119.248 120.300 0.058 0.000 2.615 68 Y HA 0.639 5.189 4.550 0.000 0.000 0.341 68 Y C -1.629 174.263 175.900 -0.014 0.000 1.089 68 Y CA -1.381 56.643 58.100 -0.126 0.000 1.049 68 Y CB 0.846 38.858 38.460 -0.747 0.000 1.296 68 Y HN 0.342 nan 8.280 nan 0.000 0.470 69 L N 2.656 124.022 121.223 0.239 0.000 2.322 69 L HA 0.434 4.774 4.340 0.000 0.000 0.279 69 L C -1.423 175.629 176.870 0.302 0.000 1.036 69 L CA -0.982 53.976 54.840 0.196 0.000 0.807 69 L CB 1.570 43.670 42.059 0.069 0.000 1.226 69 L HN 0.774 nan 8.230 nan 0.000 0.433 70 Y N 3.617 123.984 120.300 0.112 0.000 2.349 70 Y HA 0.282 4.832 4.550 0.000 0.000 0.324 70 Y C -0.278 175.601 175.900 -0.035 0.000 1.005 70 Y CA -1.024 57.059 58.100 -0.029 0.000 1.240 70 Y CB 1.144 39.508 38.460 -0.160 0.000 1.117 70 Y HN 0.433 nan 8.280 nan 0.000 0.463 71 K N 4.736 124.906 120.400 -0.384 0.000 2.339 71 K HA 0.212 4.532 4.320 0.000 0.000 0.286 71 K C -0.367 175.921 176.600 -0.519 0.000 1.050 71 K CA -0.096 55.982 56.287 -0.349 0.000 0.956 71 K CB 0.667 33.046 32.500 -0.201 0.000 0.990 71 K HN 0.794 nan 8.250 nan 0.000 0.475 72 Q N 3.551 123.168 119.800 -0.306 0.000 2.553 72 Q HA 0.031 4.371 4.340 0.000 0.000 0.395 72 Q C -0.764 175.145 176.000 -0.151 0.000 0.971 72 Q CA -0.157 55.502 55.803 -0.241 0.000 1.090 72 Q CB 0.729 29.416 28.738 -0.084 0.000 1.328 72 Q HN 0.747 nan 8.270 nan 0.000 0.413 73 E N -0.640 119.463 120.200 -0.161 0.000 3.713 73 E HA -0.310 4.040 4.350 0.000 0.000 0.287 73 E C 0.291 176.841 176.600 -0.082 0.000 0.672 73 E CA 2.232 58.568 56.400 -0.107 0.000 1.003 73 E CB -0.619 29.029 29.700 -0.087 0.000 1.545 73 E HN 0.485 nan 8.360 nan 0.000 0.438 74 N N -1.639 117.012 118.700 -0.082 0.000 2.802 74 N HA 0.180 4.920 4.740 0.000 0.000 0.254 74 N C -0.763 174.704 175.510 -0.070 0.000 1.012 74 N CA 0.444 53.456 53.050 -0.063 0.000 0.986 74 N CB 0.443 38.902 38.487 -0.047 0.000 1.711 74 N HN 0.051 nan 8.380 nan 0.000 0.581 75 N N 0.248 118.908 118.700 -0.067 0.000 2.321 75 N HA 0.409 5.149 4.740 0.000 0.000 0.299 75 N C -1.454 174.014 175.510 -0.069 0.000 1.048 75 N CA -0.521 52.493 53.050 -0.059 0.000 0.836 75 N CB 2.439 40.908 38.487 -0.029 0.000 1.269 75 N HN 0.113 nan 8.380 nan 0.000 0.486 76 I N 3.018 123.540 120.570 -0.081 0.000 2.306 76 I HA 0.351 4.521 4.170 0.000 0.000 0.288 76 I C -1.010 175.135 176.117 0.047 0.000 1.036 76 I CA -0.621 60.620 61.300 -0.098 0.000 1.221 76 I CB -0.059 37.762 38.000 -0.299 0.000 1.385 76 I HN 0.478 nan 8.210 nan 0.000 0.472 77 L N 6.485 127.781 121.223 0.122 0.000 2.334 77 L HA 0.819 5.159 4.340 0.000 0.000 0.270 77 L C -0.733 176.278 176.870 0.235 0.000 1.018 77 L CA -1.047 53.895 54.840 0.169 0.000 0.811 77 L CB 1.596 43.727 42.059 0.120 0.000 1.271 77 L HN 0.355 nan 8.230 nan 0.000 0.443 78 V N 1.867 121.877 119.914 0.159 0.000 2.483 78 V HA 0.541 4.661 4.120 0.000 0.000 0.295 78 V C -0.851 175.221 176.094 -0.037 0.000 1.035 78 V CA -0.189 62.188 62.300 0.127 0.000 0.896 78 V CB 1.370 33.291 31.823 0.164 0.000 0.986 78 V HN 0.598 nan 8.190 nan 0.000 0.447 79 F N 4.774 124.479 119.950 -0.407 0.000 2.458 79 F HA 0.493 5.020 4.527 0.000 0.000 0.330 79 F C 0.543 176.066 175.800 -0.462 0.000 1.082 79 F CA -0.689 56.985 58.000 -0.545 0.000 0.995 79 F CB 1.473 39.860 39.000 -1.021 0.000 1.170 79 F HN 0.526 nan 8.300 nan 0.000 0.478 80 N N 1.813 120.442 118.700 -0.118 0.000 2.462 80 N HA 0.248 4.988 4.740 0.000 0.000 0.242 80 N C 0.563 176.037 175.510 -0.061 0.000 1.010 80 N CA 0.122 53.153 53.050 -0.032 0.000 0.939 80 N CB 1.609 40.135 38.487 0.065 0.000 1.127 80 N HN 0.779 nan 8.380 nan 0.000 0.509 81 A N 3.819 126.559 122.820 -0.134 0.000 1.892 81 A HA -0.243 4.077 4.320 0.000 0.000 0.218 81 A C 1.908 179.268 177.584 -0.375 0.000 1.188 81 A CA 1.913 53.781 52.037 -0.282 0.000 0.631 81 A CB -0.559 18.044 19.000 -0.663 0.000 0.822 81 A HN 0.796 nan 8.150 nan 0.000 0.447 82 E N -1.070 118.908 120.200 -0.370 0.000 2.070 82 E HA -0.208 4.142 4.350 0.000 0.000 0.197 82 E C 1.443 177.751 176.600 -0.486 0.000 1.004 82 E CA 2.190 58.380 56.400 -0.350 0.000 0.805 82 E CB -0.382 29.073 29.700 -0.408 0.000 0.744 82 E HN 0.771 nan 8.360 nan 0.000 0.451 83 Y N -2.647 117.655 120.300 0.004 0.000 2.483 83 Y HA 0.363 4.913 4.550 0.000 0.000 0.258 83 Y C 1.633 177.532 175.900 -0.000 0.000 1.083 83 Y CA 0.145 58.247 58.100 0.003 0.000 1.283 83 Y CB 1.101 39.558 38.460 -0.006 0.000 1.178 83 Y HN 0.197 nan 8.280 nan 0.000 0.515 84 G N 0.996 109.875 108.800 0.132 0.000 2.175 84 G HA2 -0.295 3.665 3.960 0.000 0.000 0.244 84 G HA3 -0.295 3.665 3.960 0.000 0.000 0.244 84 G C -0.156 174.784 174.900 0.067 0.000 0.982 84 G CA 0.068 45.257 45.100 0.149 0.000 0.641 84 G HN 0.423 nan 8.290 nan 0.000 0.527 85 N N 0.902 119.604 118.700 0.002 0.000 2.508 85 N HA 0.481 5.221 4.740 0.000 0.000 0.264 85 N C 0.333 175.620 175.510 -0.373 0.000 1.216 85 N CA 0.670 53.635 53.050 -0.141 0.000 0.943 85 N CB 1.437 39.867 38.487 -0.096 0.000 1.113 85 N HN 0.791 nan 8.380 nan 0.000 0.447 86 S N 0.482 115.854 115.700 -0.547 0.000 2.798 86 S HA 0.813 5.283 4.470 0.000 0.000 0.312 86 S C -0.545 173.824 174.600 -0.386 0.000 1.122 86 S CA -0.759 56.965 58.200 -0.793 0.000 0.949 86 S CB 1.447 63.838 63.200 -1.350 0.000 1.235 86 S HN 0.668 nan 8.310 nan 0.000 0.552 87 S N -0.293 115.226 115.700 -0.301 0.000 2.579 87 S HA 0.316 4.786 4.470 0.000 0.000 0.290 87 S C -1.186 173.374 174.600 -0.066 0.000 1.123 87 S CA -0.815 57.297 58.200 -0.147 0.000 0.894 87 S CB 1.278 64.412 63.200 -0.109 0.000 1.095 87 S HN 0.757 nan 8.310 nan 0.000 0.450 88 V N 4.005 123.892 119.914 -0.046 0.000 2.529 88 V HA 0.124 4.244 4.120 0.000 0.000 0.292 88 V C 0.727 176.840 176.094 0.033 0.000 1.028 88 V CA 0.499 62.800 62.300 0.001 0.000 1.074 88 V CB -0.043 31.763 31.823 -0.029 0.000 0.958 88 V HN 0.940 nan 8.190 nan 0.000 0.481 89 F N 5.542 125.464 119.950 -0.046 0.000 2.446 89 F HA 0.424 4.951 4.527 0.000 0.000 0.292 89 F C 0.366 176.145 175.800 -0.034 0.000 1.096 89 F CA 0.393 58.375 58.000 -0.030 0.000 1.438 89 F CB 0.597 39.595 39.000 -0.004 0.000 1.107 89 F HN 0.377 nan 8.300 nan 0.000 0.546 90 L N 1.354 122.678 121.223 0.168 0.000 2.580 90 L HA 0.251 4.591 4.340 0.000 0.000 0.266 90 L C -0.514 176.334 176.870 -0.036 0.000 0.955 90 L CA -0.679 54.191 54.840 0.050 0.000 0.886 90 L CB 1.100 43.254 42.059 0.158 0.000 1.263 90 L HN 0.267 nan 8.230 nan 0.000 0.406 91 E N 3.112 123.254 120.200 -0.097 0.000 2.418 91 E HA 0.031 4.381 4.350 0.000 0.000 0.261 91 E C 0.199 176.732 176.600 -0.111 0.000 1.070 91 E CA 0.296 56.638 56.400 -0.098 0.000 0.931 91 E CB 0.613 30.248 29.700 -0.108 0.000 0.954 91 E HN 0.764 nan 8.360 nan 0.000 0.439 92 N N 1.473 120.125 118.700 -0.081 0.000 2.021 92 N HA -0.263 4.477 4.740 0.000 0.000 0.198 92 N C 1.461 176.923 175.510 -0.079 0.000 1.041 92 N CA 1.869 54.877 53.050 -0.070 0.000 0.862 92 N CB -0.096 38.359 38.487 -0.053 0.000 1.048 92 N HN 0.645 nan 8.380 nan 0.000 0.427 93 S N -1.061 114.585 115.700 -0.089 0.000 2.650 93 S HA 0.042 4.512 4.470 0.000 0.000 0.219 93 S C 1.409 175.913 174.600 -0.159 0.000 0.960 93 S CA 0.380 58.527 58.200 -0.089 0.000 0.925 93 S CB -0.024 63.135 63.200 -0.068 0.000 0.775 93 S HN 0.234 nan 8.310 nan 0.000 0.525 94 T N 1.562 115.950 114.554 -0.277 0.000 2.822 94 T HA -0.045 4.305 4.350 0.000 0.000 0.270 94 T C 0.295 174.528 174.700 -0.778 0.000 1.064 94 T CA 1.369 63.132 62.100 -0.562 0.000 1.131 94 T CB -0.419 67.964 68.868 -0.809 0.000 0.858 94 T HN 0.604 nan 8.240 nan 0.000 0.483 95 F N 0.316 120.190 119.950 -0.127 0.000 2.724 95 F HA 0.330 4.857 4.527 0.000 0.000 0.310 95 F C 0.691 176.487 175.800 -0.006 0.000 1.107 95 F CA -1.547 56.397 58.000 -0.094 0.000 1.218 95 F CB 0.194 39.061 39.000 -0.222 0.000 1.042 95 F HN -0.058 nan 8.300 nan 0.000 0.540 96 D N 1.412 121.867 120.400 0.092 0.000 2.390 96 D HA -0.024 4.616 4.640 0.000 0.000 0.236 96 D C 0.715 177.074 176.300 0.099 0.000 1.189 96 D CA 0.981 55.026 54.000 0.075 0.000 0.887 96 D CB 0.408 41.218 40.800 0.018 0.000 1.198 96 D HN 0.345 nan 8.370 nan 0.000 0.444 97 E N -0.651 119.595 120.200 0.077 0.000 3.181 97 E HA -0.284 4.066 4.350 0.000 0.000 0.293 97 E C 0.562 177.204 176.600 0.070 0.000 0.936 97 E CA 0.061 56.489 56.400 0.046 0.000 0.975 97 E CB -1.701 28.014 29.700 0.025 0.000 1.496 97 E HN 0.476 nan 8.360 nan 0.000 0.429 98 F N 0.374 120.305 119.950 -0.032 0.000 2.615 98 F HA 0.137 4.664 4.527 0.000 0.000 0.297 98 F C 1.901 177.619 175.800 -0.137 0.000 1.124 98 F CA 1.678 59.646 58.000 -0.052 0.000 1.451 98 F CB 0.387 39.354 39.000 -0.054 0.000 1.103 98 F HN 0.180 nan 8.300 nan 0.000 0.569 99 G N -0.182 108.578 108.800 -0.067 0.000 2.184 99 G HA2 -0.263 3.697 3.960 0.000 0.000 0.264 99 G HA3 -0.263 3.697 3.960 0.000 0.000 0.264 99 G C 0.003 174.561 174.900 -0.570 0.000 0.975 99 G CA 0.454 45.356 45.100 -0.330 0.000 0.642 99 G HN 0.533 nan 8.290 nan 0.000 0.536 100 H N -0.688 118.503 119.070 0.202 0.000 2.996 100 H HA 0.548 5.104 4.556 0.000 0.000 0.368 100 H C -0.607 174.786 175.328 0.109 0.000 1.185 100 H CA -0.058 56.103 56.048 0.187 0.000 1.160 100 H CB 1.497 31.339 29.762 0.133 0.000 1.820 100 H HN 0.190 nan 8.280 nan 0.000 0.547 101 S N 2.445 118.255 115.700 0.183 0.000 2.528 101 S HA 0.211 4.681 4.470 0.000 0.000 0.277 101 S C 0.249 174.844 174.600 -0.008 0.000 1.297 101 S CA -0.764 57.468 58.200 0.054 0.000 1.052 101 S CB -0.260 62.974 63.200 0.056 0.000 0.917 101 S HN 0.318 nan 8.310 nan 0.000 0.492 102 I N 6.017 126.504 120.570 -0.139 0.000 2.379 102 I HA 0.110 4.280 4.170 0.000 0.000 0.290 102 I C 1.663 177.723 176.117 -0.094 0.000 1.063 102 I CA 0.110 61.290 61.300 -0.200 0.000 1.351 102 I CB 0.440 38.243 38.000 -0.327 0.000 1.410 102 I HN 0.806 nan 8.210 nan 0.000 0.505 103 N N 4.353 123.011 118.700 -0.070 0.000 2.376 103 N HA -0.063 4.677 4.740 0.000 0.000 0.177 103 N C -0.071 175.381 175.510 -0.097 0.000 1.024 103 N CA 0.745 53.730 53.050 -0.109 0.000 0.893 103 N CB 0.655 39.045 38.487 -0.162 0.000 0.980 103 N HN 0.758 nan 8.380 nan 0.000 0.439 104 D N -1.680 118.697 120.400 -0.039 0.000 2.683 104 D HA 0.194 4.834 4.640 0.000 0.000 0.246 104 D C -1.620 174.741 176.300 0.101 0.000 1.238 104 D CA -0.586 53.429 54.000 0.025 0.000 0.759 104 D CB 0.582 41.352 40.800 -0.050 0.000 1.349 104 D HN 0.111 nan 8.370 nan 0.000 0.426 105 Y N -0.362 119.946 120.300 0.014 0.000 2.562 105 Y HA 0.833 5.383 4.550 0.000 0.000 0.343 105 Y C -0.789 175.189 175.900 0.131 0.000 1.025 105 Y CA -1.263 56.875 58.100 0.063 0.000 1.082 105 Y CB 2.063 40.558 38.460 0.059 0.000 1.264 105 Y HN 0.173 nan 8.280 nan 0.000 0.478 106 S N 3.182 118.996 115.700 0.190 0.000 2.511 106 S HA 0.486 4.956 4.470 0.000 0.000 0.233 106 S C -1.228 173.654 174.600 0.470 0.000 1.104 106 S CA -0.574 57.755 58.200 0.215 0.000 1.129 106 S CB -0.417 62.934 63.200 0.251 0.000 1.159 106 S HN 0.688 nan 8.310 nan 0.000 0.451 107 I N 4.127 124.857 120.570 0.267 0.000 2.575 107 I HA 0.214 4.384 4.170 0.000 0.000 0.285 107 I C 1.156 177.092 176.117 -0.303 0.000 1.085 107 I CA -0.294 61.073 61.300 0.112 0.000 1.403 107 I CB 1.219 39.264 38.000 0.075 0.000 1.409 107 I HN 0.692 nan 8.210 nan 0.000 0.557 108 S N 5.396 120.605 115.700 -0.818 0.000 2.593 108 S HA 0.215 4.685 4.470 0.000 0.000 0.269 108 S C -1.848 172.448 174.600 -0.507 0.000 1.334 108 S CA -1.060 56.301 58.200 -1.399 0.000 1.015 108 S CB 0.925 63.101 63.200 -1.707 0.000 0.912 108 S HN 0.403 nan 8.310 nan 0.000 0.541 109 P HA -0.173 nan 4.420 nan 0.000 0.216 109 P C 0.681 177.935 177.300 -0.076 0.000 1.157 109 P CA 1.786 64.814 63.100 -0.121 0.000 0.880 109 P CB -0.247 31.406 31.700 -0.079 0.000 0.791 110 D N -1.978 118.371 120.400 -0.086 0.000 2.352 110 D HA 0.085 4.725 4.640 0.000 0.000 0.232 110 D C 1.208 177.464 176.300 -0.072 0.000 1.055 110 D CA 0.526 54.500 54.000 -0.043 0.000 0.891 110 D CB -1.388 39.418 40.800 0.010 0.000 0.897 110 D HN 0.167 nan 8.370 nan 0.000 0.529 111 G N 0.299 109.049 108.800 -0.083 0.000 2.296 111 G HA2 -0.411 3.549 3.960 0.000 0.000 0.282 111 G HA3 -0.411 3.549 3.960 0.000 0.000 0.282 111 G C 0.801 175.646 174.900 -0.092 0.000 1.014 111 G CA 0.835 45.933 45.100 -0.003 0.000 0.812 111 G HN 0.504 nan 8.290 nan 0.000 0.508 112 Q N -1.956 117.671 119.800 -0.288 0.000 2.373 112 Q HA 0.361 4.701 4.340 0.000 0.000 0.210 112 Q C 0.241 175.766 176.000 -0.791 0.000 0.913 112 Q CA 0.572 56.012 55.803 -0.606 0.000 0.911 112 Q CB 0.618 28.809 28.738 -0.911 0.000 1.040 112 Q HN 0.547 nan 8.270 nan 0.000 0.521 113 F N -0.177 119.695 119.950 -0.130 0.000 2.603 113 F HA 0.529 5.056 4.527 0.000 0.000 0.317 113 F C -0.571 175.318 175.800 0.149 0.000 1.066 113 F CA -1.283 56.730 58.000 0.022 0.000 0.941 113 F CB 1.778 40.844 39.000 0.111 0.000 1.291 113 F HN -0.203 nan 8.300 nan 0.000 0.472 114 I N 2.955 123.886 120.570 0.602 0.000 2.499 114 I HA 0.466 4.636 4.170 0.000 0.000 0.288 114 I C -1.800 174.679 176.117 0.603 0.000 1.048 114 I CA -1.092 60.563 61.300 0.591 0.000 1.062 114 I CB 1.612 39.956 38.000 0.572 0.000 1.238 114 I HN 0.546 nan 8.210 nan 0.000 0.426 115 L N 8.506 130.092 121.223 0.606 0.000 2.260 115 L HA 0.454 4.794 4.340 0.000 0.000 0.289 115 L C -1.203 175.822 176.870 0.259 0.000 1.057 115 L CA 0.015 55.074 54.840 0.365 0.000 0.811 115 L CB 0.774 42.940 42.059 0.178 0.000 1.184 115 L HN 0.486 nan 8.230 nan 0.000 0.429 116 L N 5.377 126.703 121.223 0.171 0.000 2.260 116 L HA 0.443 4.783 4.340 0.000 0.000 0.289 116 L C 0.155 177.099 176.870 0.122 0.000 1.057 116 L CA -0.251 54.595 54.840 0.009 0.000 0.811 116 L CB 1.077 42.961 42.059 -0.291 0.000 1.184 116 L HN 0.629 nan 8.230 nan 0.000 0.429 117 E N 4.529 124.764 120.200 0.057 0.000 2.134 117 E HA 0.397 4.747 4.350 0.000 0.000 0.278 117 E C -1.545 175.037 176.600 -0.031 0.000 0.959 117 E CA -0.547 55.803 56.400 -0.084 0.000 0.783 117 E CB 0.993 30.680 29.700 -0.020 0.000 1.095 117 E HN 0.459 nan 8.360 nan 0.000 0.399 118 Y N 1.863 121.973 120.300 -0.316 0.000 2.715 118 Y HA 0.451 5.001 4.550 0.000 0.000 0.331 118 Y C -0.187 175.603 175.900 -0.184 0.000 1.197 118 Y CA -1.740 56.246 58.100 -0.189 0.000 1.079 118 Y CB 0.469 38.865 38.460 -0.107 0.000 1.298 118 Y HN 0.523 nan 8.280 nan 0.000 0.477 119 N N -0.368 118.281 118.700 -0.086 0.000 2.735 119 N HA -0.289 4.451 4.740 0.000 0.000 0.248 119 N C -0.927 174.508 175.510 -0.126 0.000 1.083 119 N CA 0.981 53.941 53.050 -0.149 0.000 0.703 119 N CB -1.645 36.621 38.487 -0.368 0.000 1.005 119 N HN 0.876 nan 8.380 nan 0.000 0.550 120 Y N 0.161 120.351 120.300 -0.184 0.000 2.597 120 Y HA 0.275 4.825 4.550 0.000 0.000 0.336 120 Y C 0.215 176.044 175.900 -0.118 0.000 1.216 120 Y CA 0.170 58.152 58.100 -0.196 0.000 1.463 120 Y CB 0.778 39.081 38.460 -0.263 0.000 1.303 120 Y HN -0.013 nan 8.280 nan 0.000 0.576 121 V N 7.611 127.043 119.914 -0.803 0.000 2.555 121 V HA 0.157 4.277 4.120 0.000 0.000 0.283 121 V C -0.308 175.338 176.094 -0.748 0.000 1.020 121 V CA -1.434 60.498 62.300 -0.614 0.000 0.883 121 V CB 1.171 32.822 31.823 -0.286 0.000 1.030 121 V HN 0.828 nan 8.190 nan 0.000 0.448 122 K N 3.329 123.238 120.400 -0.818 0.000 2.397 122 K HA 0.161 4.481 4.320 0.000 0.000 0.265 122 K C 0.422 176.870 176.600 -0.254 0.000 0.982 122 K CA 0.588 56.643 56.287 -0.387 0.000 0.931 122 K CB 1.111 33.581 32.500 -0.050 0.000 0.943 122 K HN 0.800 nan 8.250 nan 0.000 0.501 123 Q N 1.595 121.268 119.800 -0.212 0.000 1.843 123 Q HA 0.184 4.524 4.340 0.000 0.000 0.158 123 Q C -0.123 175.740 176.000 -0.228 0.000 0.469 123 Q CA -0.528 54.975 55.803 -0.501 0.000 0.656 123 Q CB 0.263 28.533 28.738 -0.779 0.000 1.214 123 Q HN 0.732 nan 8.270 nan 0.000 0.292 124 W N 0.401 121.708 121.300 0.011 0.000 1.945 124 W HA 0.343 5.003 4.660 -0.000 0.000 0.606 124 W C 1.713 178.232 176.519 -0.001 0.000 1.803 124 W CA -0.486 56.887 57.345 0.047 0.000 1.990 124 W CB -0.060 29.380 29.460 -0.034 0.000 2.848 124 W HN 0.367 nan 8.180 nan 0.000 0.771 125 R N -0.531 120.082 120.500 0.189 0.000 2.081 125 R HA -0.168 4.172 4.340 0.000 0.000 0.235 125 R C 1.779 177.976 176.300 -0.172 0.000 1.131 125 R CA 2.082 58.132 56.100 -0.083 0.000 0.960 125 R CB -0.518 29.582 30.300 -0.333 0.000 0.856 125 R HN 0.452 nan 8.270 nan 0.000 0.436 126 H N -0.890 118.268 119.070 0.147 0.000 2.594 126 H HA 0.222 4.778 4.556 0.000 0.000 0.274 126 H C 0.644 176.060 175.328 0.148 0.000 0.982 126 H CA 0.617 56.767 56.048 0.170 0.000 1.228 126 H CB -0.173 29.665 29.762 0.126 0.000 1.447 126 H HN 0.255 nan 8.280 nan 0.000 0.485 127 S N 1.351 117.053 115.700 0.004 0.000 2.580 127 S HA 0.284 4.754 4.470 0.000 0.000 0.266 127 S C -0.221 174.265 174.600 -0.189 0.000 1.354 127 S CA -0.264 57.632 58.200 -0.507 0.000 1.008 127 S CB 0.499 62.903 63.200 -1.327 0.000 0.898 127 S HN 0.471 nan 8.310 nan 0.000 0.555 128 Y N -3.023 117.158 120.300 -0.198 0.000 2.765 128 Y HA 0.633 5.183 4.550 0.000 0.000 0.350 128 Y C -0.821 175.051 175.900 -0.046 0.000 1.196 128 Y CA -0.849 57.143 58.100 -0.181 0.000 1.119 128 Y CB 0.691 39.069 38.460 -0.136 0.000 1.368 128 Y HN 0.815 nan 8.280 nan 0.000 0.463 129 T N 1.022 115.666 114.554 0.149 0.000 2.942 129 T HA 0.983 5.333 4.350 0.000 0.000 0.289 129 T C -0.798 173.993 174.700 0.151 0.000 1.044 129 T CA 0.242 62.431 62.100 0.148 0.000 1.023 129 T CB 1.137 70.010 68.868 0.010 0.000 1.123 129 T HN 1.864 nan 8.240 nan 0.000 0.512 130 A N 1.552 124.425 122.820 0.088 0.000 2.483 130 A HA 0.676 4.996 4.320 0.000 0.000 0.294 130 A C -0.896 176.454 177.584 -0.390 0.000 1.077 130 A CA -0.762 51.168 52.037 -0.179 0.000 0.633 130 A CB 0.715 19.593 19.000 -0.204 0.000 1.318 130 A HN 0.771 nan 8.150 nan 0.000 0.455 131 S N -0.849 114.391 115.700 -0.766 0.000 2.651 131 S HA 0.850 5.320 4.470 0.000 0.000 0.291 131 S C -1.460 172.538 174.600 -1.004 0.000 1.141 131 S CA -0.107 57.584 58.200 -0.849 0.000 1.027 131 S CB 0.744 63.160 63.200 -1.307 0.000 1.043 131 S HN 0.490 nan 8.310 nan 0.000 0.530 132 Y N -0.184 119.966 120.300 -0.251 0.000 2.534 132 Y HA 0.485 5.035 4.550 0.000 0.000 0.345 132 Y C -0.486 175.478 175.900 0.107 0.000 1.031 132 Y CA -0.935 57.150 58.100 -0.025 0.000 1.022 132 Y CB 1.821 40.185 38.460 -0.160 0.000 1.292 132 Y HN 0.494 nan 8.280 nan 0.000 0.459 133 D N 2.367 122.973 120.400 0.345 0.000 2.819 133 D HA 0.527 5.167 4.640 0.000 0.000 0.232 133 D C -1.027 175.404 176.300 0.218 0.000 1.160 133 D CA -0.331 53.823 54.000 0.257 0.000 0.858 133 D CB 2.842 43.842 40.800 0.334 0.000 1.610 133 D HN 0.409 nan 8.370 nan 0.000 0.481 134 I N 1.906 122.588 120.570 0.185 0.000 2.354 134 I HA 0.213 4.383 4.170 0.000 0.000 0.292 134 I C -0.873 175.460 176.117 0.360 0.000 0.989 134 I CA -0.950 60.497 61.300 0.245 0.000 1.188 134 I CB 1.348 39.413 38.000 0.108 0.000 1.342 134 I HN 0.244 nan 8.210 nan 0.000 0.457 135 Y N 6.132 126.632 120.300 0.333 0.000 2.342 135 Y HA 0.275 4.825 4.550 0.000 0.000 0.338 135 Y C -0.050 176.117 175.900 0.446 0.000 0.965 135 Y CA -0.934 57.391 58.100 0.376 0.000 1.159 135 Y CB 0.749 39.483 38.460 0.457 0.000 1.157 135 Y HN 0.497 nan 8.280 nan 0.000 0.486 136 D N 6.084 126.473 120.400 -0.020 0.000 2.401 136 D HA 0.033 4.673 4.640 0.000 0.000 0.254 136 D C 0.625 176.590 176.300 -0.558 0.000 1.192 136 D CA 0.500 54.491 54.000 -0.015 0.000 0.885 136 D CB 1.014 41.869 40.800 0.091 0.000 1.147 136 D HN 0.887 nan 8.370 nan 0.000 0.478 137 L N 3.696 124.665 121.223 -0.422 0.000 2.307 137 L HA -0.012 4.328 4.340 0.000 0.000 0.211 137 L C 1.979 178.662 176.870 -0.311 0.000 1.099 137 L CA 0.070 54.701 54.840 -0.348 0.000 0.816 137 L CB -0.174 41.776 42.059 -0.181 0.000 0.952 137 L HN 0.365 nan 8.230 nan 0.000 0.455 138 N N 1.655 120.143 118.700 -0.353 0.000 2.453 138 N HA -0.144 4.596 4.740 0.000 0.000 0.183 138 N C 1.005 176.405 175.510 -0.183 0.000 1.041 138 N CA 1.077 53.968 53.050 -0.266 0.000 0.900 138 N CB 0.072 38.382 38.487 -0.295 0.000 0.961 138 N HN 0.551 nan 8.380 nan 0.000 0.443 139 K N -0.567 119.721 120.400 -0.187 0.000 2.665 139 K HA 0.274 4.594 4.320 0.000 0.000 0.194 139 K C -0.329 176.197 176.600 -0.123 0.000 1.135 139 K CA -0.485 55.729 56.287 -0.121 0.000 1.089 139 K CB 0.698 33.154 32.500 -0.073 0.000 0.817 139 K HN -0.329 nan 8.250 nan 0.000 0.506 140 R N 1.065 121.446 120.500 -0.198 0.000 3.591 140 R HA -0.175 4.165 4.340 0.000 0.000 0.268 140 R C -0.763 175.531 176.300 -0.010 0.000 1.102 140 R CA 0.993 57.028 56.100 -0.108 0.000 0.732 140 R CB -2.248 28.080 30.300 0.047 0.000 1.117 140 R HN 0.593 nan 8.270 nan 0.000 0.472 141 Q N 0.119 119.814 119.800 -0.176 0.000 2.309 141 Q HA 0.428 4.768 4.340 0.000 0.000 0.264 141 Q C -0.083 175.992 176.000 0.125 0.000 1.008 141 Q CA -1.176 54.654 55.803 0.044 0.000 0.853 141 Q CB 2.025 30.778 28.738 0.026 0.000 1.314 141 Q HN 0.092 nan 8.270 nan 0.000 0.448 142 L N 2.534 123.960 121.223 0.339 0.000 2.326 142 L HA 0.380 4.720 4.340 0.000 0.000 0.278 142 L C -0.514 176.482 176.870 0.210 0.000 1.092 142 L CA -0.002 55.085 54.840 0.412 0.000 0.810 142 L CB 0.653 42.938 42.059 0.377 0.000 1.153 142 L HN 0.537 nan 8.230 nan 0.000 0.439 143 I N 4.299 124.981 120.570 0.187 0.000 2.396 143 I HA 0.147 4.317 4.170 0.000 0.000 0.289 143 I C 0.735 176.891 176.117 0.064 0.000 1.056 143 I CA 0.057 61.417 61.300 0.099 0.000 1.365 143 I CB 0.954 38.990 38.000 0.060 0.000 1.407 143 I HN 0.787 nan 8.210 nan 0.000 0.509 144 T N 0.823 115.399 114.554 0.037 0.000 3.129 144 T HA 0.320 4.670 4.350 0.000 0.000 0.267 144 T C 0.283 174.977 174.700 -0.010 0.000 1.018 144 T CA -0.434 61.673 62.100 0.011 0.000 0.903 144 T CB -0.118 68.756 68.868 0.010 0.000 1.067 144 T HN 0.534 nan 8.240 nan 0.000 0.549 145 E N 1.524 121.715 120.200 -0.014 0.000 2.227 145 E HA 0.388 4.738 4.350 0.000 0.000 0.268 145 E C -0.396 176.173 176.600 -0.051 0.000 0.907 145 E CA -1.040 55.343 56.400 -0.029 0.000 0.786 145 E CB 0.944 30.633 29.700 -0.018 0.000 1.191 145 E HN 0.026 nan 8.360 nan 0.000 0.411 146 E N 1.397 121.556 120.200 -0.067 0.000 2.365 146 E HA -0.257 4.093 4.350 0.000 0.000 0.237 146 E C -0.536 175.990 176.600 -0.124 0.000 1.238 146 E CA 0.821 57.165 56.400 -0.094 0.000 0.718 146 E CB -1.272 28.382 29.700 -0.075 0.000 1.218 146 E HN 0.484 nan 8.360 nan 0.000 0.387 147 R N -0.279 120.146 120.500 -0.125 0.000 2.811 147 R HA 0.157 4.497 4.340 0.000 0.000 0.265 147 R C 1.220 177.364 176.300 -0.260 0.000 1.026 147 R CA -0.041 55.970 56.100 -0.148 0.000 1.142 147 R CB 0.344 30.583 30.300 -0.101 0.000 1.027 147 R HN 0.140 nan 8.270 nan 0.000 0.465 148 I N 3.453 123.830 120.570 -0.322 0.000 2.648 148 I HA 0.035 4.205 4.170 0.000 0.000 0.284 148 I C -1.726 174.115 176.117 -0.461 0.000 1.153 148 I CA -1.725 59.229 61.300 -0.576 0.000 1.426 148 I CB 0.442 38.062 38.000 -0.633 0.000 1.381 148 I HN 0.251 nan 8.210 nan 0.000 0.571 149 P HA -0.004 nan 4.420 nan 0.000 0.268 149 P C -0.827 176.307 177.300 -0.278 0.000 1.208 149 P CA -0.089 62.662 63.100 -0.583 0.000 0.777 149 P CB 0.330 31.259 31.700 -1.285 0.000 0.875 150 N N 2.665 121.271 118.700 -0.156 0.000 2.503 150 N HA 0.063 4.803 4.740 0.000 0.000 0.267 150 N C 0.282 175.849 175.510 0.096 0.000 1.214 150 N CA 0.185 53.191 53.050 -0.074 0.000 0.959 150 N CB -0.278 38.168 38.487 -0.069 0.000 1.142 150 N HN 0.408 nan 8.380 nan 0.000 0.455 151 N N -0.921 117.816 118.700 0.062 0.000 2.815 151 N HA -0.148 4.592 4.740 0.000 0.000 0.249 151 N C -0.859 174.816 175.510 0.275 0.000 1.114 151 N CA 0.632 53.761 53.050 0.132 0.000 0.717 151 N CB -1.702 36.864 38.487 0.132 0.000 1.074 151 N HN 0.479 nan 8.380 nan 0.000 0.555 152 T N 0.747 115.475 114.554 0.290 0.000 2.907 152 T HA 0.133 4.483 4.350 0.000 0.000 0.298 152 T C 1.748 176.638 174.700 0.318 0.000 1.017 152 T CA 0.052 62.365 62.100 0.354 0.000 1.118 152 T CB 1.321 70.308 68.868 0.199 0.000 0.948 152 T HN 0.160 nan 8.240 nan 0.000 0.531 153 Q N 1.478 121.456 119.800 0.297 0.000 2.250 153 Q HA 0.140 4.480 4.340 0.000 0.000 0.200 153 Q C 0.154 176.396 176.000 0.404 0.000 0.941 153 Q CA 0.490 56.492 55.803 0.332 0.000 0.872 153 Q CB 0.724 29.646 28.738 0.307 0.000 0.965 153 Q HN 0.689 nan 8.270 nan 0.000 0.480 154 W N -0.038 121.268 121.300 0.011 0.000 3.571 154 W HA 0.456 5.116 4.660 -0.000 0.000 0.294 154 W C -2.341 174.088 176.519 -0.149 0.000 1.257 154 W CA -0.594 56.685 57.345 -0.109 0.000 1.206 154 W CB 1.257 30.555 29.460 -0.270 0.000 1.325 154 W HN -0.364 nan 8.180 nan 0.000 0.546 155 V N 3.689 122.921 119.914 -1.137 0.000 2.760 155 V HA 0.645 4.765 4.120 0.000 0.000 0.309 155 V C -0.256 175.214 176.094 -1.040 0.000 1.077 155 V CA -0.607 61.132 62.300 -0.934 0.000 0.910 155 V CB 2.101 33.267 31.823 -1.096 0.000 1.008 155 V HN 0.493 nan 8.190 nan 0.000 0.424 156 T N -0.338 113.910 114.554 -0.509 0.000 2.971 156 T HA 0.555 4.905 4.350 0.000 0.000 0.304 156 T C -0.979 173.746 174.700 0.042 0.000 1.038 156 T CA -0.613 61.379 62.100 -0.179 0.000 1.007 156 T CB 0.980 69.967 68.868 0.198 0.000 1.055 156 T HN 0.483 nan 8.240 nan 0.000 0.451 157 W N 2.248 123.566 121.300 0.029 0.000 2.126 157 W HA 0.459 5.119 4.660 0.000 0.000 0.346 157 W C 1.152 177.527 176.519 -0.240 0.000 1.279 157 W CA -0.527 56.793 57.345 -0.042 0.000 1.259 157 W CB 0.740 30.181 29.460 -0.031 0.000 1.133 157 W HN 0.879 nan 8.180 nan 0.000 0.592 158 S N 1.984 117.473 115.700 -0.352 0.000 2.593 158 S HA 0.116 4.586 4.470 0.000 0.000 0.269 158 S C -1.450 172.908 174.600 -0.403 0.000 1.334 158 S CA -1.039 56.440 58.200 -1.201 0.000 1.015 158 S CB 0.893 63.262 63.200 -1.384 0.000 0.912 158 S HN 0.419 nan 8.310 nan 0.000 0.541 159 P HA 0.084 nan 4.420 nan 0.000 0.234 159 P C -0.209 177.047 177.300 -0.073 0.000 1.167 159 P CA 0.539 63.601 63.100 -0.063 0.000 0.763 159 P CB 0.009 31.716 31.700 0.013 0.000 0.835 160 V N -1.655 118.168 119.914 -0.152 0.000 2.971 160 V HA 0.606 4.726 4.120 0.000 0.000 0.309 160 V C 0.717 176.726 176.094 -0.142 0.000 1.130 160 V CA 0.039 62.275 62.300 -0.107 0.000 0.964 160 V CB 1.239 33.012 31.823 -0.083 0.000 1.029 160 V HN 0.400 nan 8.190 nan 0.000 0.427 161 G N 2.639 111.395 108.800 -0.073 0.000 2.514 161 G HA2 -0.194 3.766 3.960 0.000 0.000 0.265 161 G HA3 -0.194 3.766 3.960 0.000 0.000 0.265 161 G C 0.105 175.023 174.900 0.031 0.000 1.150 161 G CA 0.674 45.753 45.100 -0.035 0.000 0.959 161 G HN 1.997 nan 8.290 nan 0.000 0.556 162 H N -0.316 118.757 119.070 0.005 0.000 3.204 162 H HA 0.387 4.943 4.556 0.000 0.000 0.240 162 H C 0.242 175.775 175.328 0.340 0.000 1.259 162 H CA 0.004 56.131 56.048 0.132 0.000 0.991 162 H CB -0.516 29.407 29.762 0.268 0.000 2.583 162 H HN 0.572 nan 8.280 nan 0.000 0.638 163 K N 1.455 121.848 120.400 -0.012 0.000 2.168 163 K HA 0.513 4.833 4.320 0.000 0.000 0.258 163 K C -0.321 176.373 176.600 0.156 0.000 1.010 163 K CA -0.426 55.852 56.287 -0.015 0.000 0.929 163 K CB 1.612 33.950 32.500 -0.270 0.000 0.998 163 K HN 0.089 nan 8.250 nan 0.000 0.479 164 L N 0.859 122.205 121.223 0.205 0.000 2.381 164 L HA 0.567 4.907 4.340 0.000 0.000 0.268 164 L C -1.039 176.046 176.870 0.357 0.000 0.997 164 L CA -0.788 54.150 54.840 0.164 0.000 0.818 164 L CB 2.152 44.169 42.059 -0.070 0.000 1.310 164 L HN 0.710 nan 8.230 nan 0.000 0.416 165 A N 2.766 125.784 122.820 0.329 0.000 2.375 165 A HA 0.750 5.070 4.320 0.000 0.000 0.295 165 A C -1.537 176.070 177.584 0.038 0.000 1.066 165 A CA -0.375 51.735 52.037 0.121 0.000 0.722 165 A CB 0.871 19.846 19.000 -0.041 0.000 1.206 165 A HN 0.635 nan 8.150 nan 0.000 0.435 166 Y N -0.127 120.122 120.300 -0.085 0.000 2.609 166 Y HA 0.827 5.377 4.550 0.000 0.000 0.342 166 Y C -1.050 174.853 175.900 0.005 0.000 1.058 166 Y CA -1.675 56.356 58.100 -0.114 0.000 1.055 166 Y CB 1.276 39.602 38.460 -0.224 0.000 1.292 166 Y HN 0.348 nan 8.280 nan 0.000 0.476 167 V N 1.697 121.747 119.914 0.227 0.000 2.495 167 V HA 0.357 4.477 4.120 0.000 0.000 0.298 167 V C -1.514 174.805 176.094 0.375 0.000 1.031 167 V CA -0.652 61.763 62.300 0.191 0.000 0.871 167 V CB 1.358 33.220 31.823 0.066 0.000 0.988 167 V HN 0.871 nan 8.190 nan 0.000 0.432 168 W N 4.893 126.290 121.300 0.161 0.000 3.042 168 W HA 0.476 5.136 4.660 -0.000 0.000 0.337 168 W C 0.216 176.788 176.519 0.089 0.000 1.086 168 W CA -0.738 56.669 57.345 0.103 0.000 1.236 168 W CB 1.244 30.711 29.460 0.013 0.000 1.381 168 W HN 0.793 nan 8.180 nan 0.000 0.472 169 N N 5.636 123.981 118.700 -0.591 0.000 2.738 169 N HA -0.337 4.403 4.740 0.000 0.000 0.249 169 N C 0.112 175.468 175.510 -0.256 0.000 1.047 169 N CA 0.965 53.666 53.050 -0.582 0.000 0.707 169 N CB -1.109 36.812 38.487 -0.943 0.000 0.937 169 N HN 0.844 nan 8.380 nan 0.000 0.545 170 N N -1.880 116.736 118.700 -0.139 0.000 2.713 170 N HA -0.189 4.551 4.740 0.000 0.000 0.251 170 N C -1.255 174.198 175.510 -0.095 0.000 1.117 170 N CA 1.059 54.054 53.050 -0.091 0.000 0.770 170 N CB -0.340 38.043 38.487 -0.173 0.000 1.137 170 N HN 0.447 nan 8.380 nan 0.000 0.566 171 D N 0.467 120.826 120.400 -0.069 0.000 2.481 171 D HA 0.468 5.108 4.640 0.000 0.000 0.244 171 D C 0.090 176.267 176.300 -0.205 0.000 1.057 171 D CA -0.406 53.483 54.000 -0.186 0.000 0.848 171 D CB 1.492 42.149 40.800 -0.239 0.000 1.388 171 D HN 0.034 nan 8.370 nan 0.000 0.475 172 I N 2.301 122.577 120.570 -0.490 0.000 2.371 172 I HA 0.174 4.344 4.170 0.000 0.000 0.290 172 I C -0.595 175.080 176.117 -0.737 0.000 1.028 172 I CA -0.314 60.666 61.300 -0.534 0.000 1.345 172 I CB 0.378 37.951 38.000 -0.711 0.000 1.407 172 I HN 0.146 nan 8.210 nan 0.000 0.501 173 Y N 4.641 124.540 120.300 -0.668 0.000 2.485 173 Y HA 0.636 5.186 4.550 0.000 0.000 0.345 173 Y C -0.197 175.320 175.900 -0.638 0.000 0.998 173 Y CA -0.935 56.724 58.100 -0.735 0.000 1.059 173 Y CB 1.992 39.794 38.460 -1.096 0.000 1.234 173 Y HN 0.121 nan 8.280 nan 0.000 0.461 174 V N 2.683 122.493 119.914 -0.173 0.000 2.656 174 V HA 0.455 4.575 4.120 0.000 0.000 0.307 174 V C -0.801 175.403 176.094 0.184 0.000 1.051 174 V CA -1.361 60.940 62.300 0.003 0.000 0.893 174 V CB 2.025 33.858 31.823 0.016 0.000 0.999 174 V HN 0.614 nan 8.190 nan 0.000 0.426 175 K N 3.759 124.289 120.400 0.217 0.000 2.450 175 K HA 0.494 4.814 4.320 0.000 0.000 0.257 175 K C 0.363 177.087 176.600 0.207 0.000 0.953 175 K CA -0.700 55.720 56.287 0.223 0.000 0.844 175 K CB 1.393 33.996 32.500 0.171 0.000 1.103 175 K HN 0.486 nan 8.250 nan 0.000 0.429 176 I N 1.508 122.214 120.570 0.228 0.000 2.286 176 I HA -0.063 4.107 4.170 0.000 0.000 0.245 176 I C 0.438 176.617 176.117 0.103 0.000 1.104 176 I CA 1.366 62.749 61.300 0.139 0.000 1.397 176 I CB -0.224 37.861 38.000 0.141 0.000 1.072 176 I HN 0.566 nan 8.210 nan 0.000 0.417 177 E N 0.114 120.394 120.200 0.133 0.000 2.222 177 E HA 0.263 4.613 4.350 0.000 0.000 0.267 177 E C -1.813 174.816 176.600 0.048 0.000 0.884 177 E CA -2.032 54.450 56.400 0.137 0.000 0.764 177 E CB 1.920 31.702 29.700 0.137 0.000 1.169 177 E HN -0.119 nan 8.360 nan 0.000 0.413 178 P HA -0.192 nan 4.420 nan 0.000 0.217 178 P C 0.829 178.057 177.300 -0.120 0.000 1.151 178 P CA 1.412 64.397 63.100 -0.192 0.000 0.849 178 P CB 0.306 31.636 31.700 -0.618 0.000 0.787 179 N N -1.332 117.321 118.700 -0.078 0.000 2.280 179 N HA 0.008 4.748 4.740 0.000 0.000 0.192 179 N C 0.157 175.658 175.510 -0.014 0.000 1.109 179 N CA 0.217 53.246 53.050 -0.034 0.000 0.855 179 N CB -0.222 38.262 38.487 -0.004 0.000 0.974 179 N HN 0.175 nan 8.380 nan 0.000 0.482 180 L N 1.474 122.698 121.223 0.001 0.000 2.375 180 L HA 0.484 4.824 4.340 0.000 0.000 0.268 180 L C -2.094 174.759 176.870 -0.028 0.000 1.058 180 L CA -2.233 52.608 54.840 0.002 0.000 0.803 180 L CB 1.395 43.479 42.059 0.043 0.000 1.212 180 L HN -0.130 nan 8.230 nan 0.000 0.451 181 P HA 0.017 nan 4.420 nan 0.000 0.266 181 P C -0.599 176.596 177.300 -0.175 0.000 1.195 181 P CA -0.067 62.960 63.100 -0.122 0.000 0.768 181 P CB 0.672 32.282 31.700 -0.149 0.000 0.838 182 S N 2.005 117.649 115.700 -0.094 0.000 2.600 182 S HA 0.229 4.699 4.470 0.000 0.000 0.265 182 S C -0.253 174.247 174.600 -0.166 0.000 1.325 182 S CA 0.071 58.259 58.200 -0.019 0.000 1.002 182 S CB -0.113 63.159 63.200 0.121 0.000 0.921 182 S HN 0.327 nan 8.310 nan 0.000 0.554 183 Y N 0.641 120.950 120.300 0.015 0.000 2.328 183 Y HA 0.401 4.952 4.550 0.000 0.000 0.337 183 Y C 0.628 176.411 175.900 -0.195 0.000 0.966 183 Y CA -0.635 57.445 58.100 -0.035 0.000 1.136 183 Y CB 0.911 39.354 38.460 -0.027 0.000 1.170 183 Y HN 0.477 nan 8.280 nan 0.000 0.470 184 R N 3.594 123.966 120.500 -0.213 0.000 2.390 184 R HA 0.258 4.598 4.340 0.000 0.000 0.291 184 R C -0.013 175.816 176.300 -0.785 0.000 1.070 184 R CA -0.053 55.537 56.100 -0.850 0.000 1.014 184 R CB 0.499 30.100 30.300 -1.166 0.000 1.007 184 R HN 0.764 nan 8.270 nan 0.000 0.466 185 I N 1.845 121.902 120.570 -0.855 0.000 3.172 185 I HA 0.006 4.176 4.170 0.000 0.000 0.278 185 I C 1.025 176.834 176.117 -0.514 0.000 1.174 185 I CA 0.793 61.774 61.300 -0.532 0.000 1.445 185 I CB -0.470 37.218 38.000 -0.520 0.000 1.175 185 I HN 0.617 nan 8.210 nan 0.000 0.447 186 T N -3.603 110.492 114.554 -0.766 0.000 2.908 186 T HA 0.394 4.744 4.350 0.000 0.000 0.290 186 T C -0.058 174.310 174.700 -0.553 0.000 1.034 186 T CA -0.508 61.323 62.100 -0.448 0.000 1.010 186 T CB 2.256 70.874 68.868 -0.416 0.000 1.068 186 T HN 0.230 nan 8.240 nan 0.000 0.481 187 W N 0.662 121.851 121.300 -0.186 0.000 2.534 187 W HA 0.105 4.765 4.660 0.000 0.000 0.339 187 W C 1.544 178.009 176.519 -0.090 0.000 0.961 187 W CA 0.084 57.356 57.345 -0.123 0.000 1.545 187 W CB 0.485 29.891 29.460 -0.090 0.000 1.104 187 W HN 0.934 nan 8.180 nan 0.000 0.538 188 T N -2.036 112.568 114.554 0.084 0.000 3.129 188 T HA 0.174 4.524 4.350 0.000 0.000 0.251 188 T C 1.184 175.879 174.700 -0.008 0.000 1.117 188 T CA 0.220 62.346 62.100 0.045 0.000 1.034 188 T CB -0.019 68.873 68.868 0.040 0.000 0.968 188 T HN -0.039 nan 8.240 nan 0.000 0.526 189 G N 1.179 109.944 108.800 -0.057 0.000 2.321 189 G HA2 0.347 4.308 3.960 0.000 0.000 0.237 189 G HA3 0.347 4.308 3.960 0.000 0.000 0.237 189 G C -0.598 174.243 174.900 -0.099 0.000 1.282 189 G CA -0.382 44.660 45.100 -0.096 0.000 0.886 189 G HN 0.564 nan 8.290 nan 0.000 0.528 190 K N 1.741 122.055 120.400 -0.142 0.000 2.575 190 K HA 0.145 4.465 4.320 0.000 0.000 0.255 190 K C -0.385 176.087 176.600 -0.214 0.000 0.953 190 K CA -0.669 55.534 56.287 -0.140 0.000 0.840 190 K CB 1.675 34.128 32.500 -0.077 0.000 1.303 190 K HN 0.635 nan 8.250 nan 0.000 0.438 191 E N 3.254 123.341 120.200 -0.188 0.000 2.652 191 E HA -0.149 4.201 4.350 0.000 0.000 0.255 191 E C -0.506 176.000 176.600 -0.157 0.000 0.952 191 E CA 1.030 57.318 56.400 -0.187 0.000 0.947 191 E CB 0.216 29.839 29.700 -0.129 0.000 0.912 191 E HN 0.589 nan 8.360 nan 0.000 0.489 192 D N 2.845 123.135 120.400 -0.183 0.000 3.070 192 D HA -0.241 4.399 4.640 0.000 0.000 0.220 192 D C 0.511 176.823 176.300 0.020 0.000 1.176 192 D CA 1.154 55.153 54.000 -0.002 0.000 0.924 192 D CB -0.387 40.453 40.800 0.066 0.000 1.124 192 D HN 0.427 nan 8.370 nan 0.000 0.411 193 I N -1.013 119.482 120.570 -0.126 0.000 3.878 193 I HA 0.130 4.300 4.170 0.000 0.000 0.273 193 I C 0.825 176.969 176.117 0.045 0.000 1.165 193 I CA 0.493 61.800 61.300 0.012 0.000 1.360 193 I CB 0.410 38.410 38.000 0.001 0.000 1.539 193 I HN -0.106 nan 8.210 nan 0.000 0.447 194 I N 1.261 121.763 120.570 -0.114 0.000 2.498 194 I HA 0.286 4.456 4.170 0.000 0.000 0.290 194 I C -1.395 174.655 176.117 -0.113 0.000 1.032 194 I CA -0.471 60.839 61.300 0.018 0.000 1.073 194 I CB 1.702 39.717 38.000 0.025 0.000 1.251 194 I HN -0.005 nan 8.210 nan 0.000 0.426 195 Y N 4.407 124.803 120.300 0.159 0.000 2.331 195 Y HA 0.429 4.979 4.550 0.000 0.000 0.334 195 Y C 0.190 176.160 175.900 0.117 0.000 0.960 195 Y CA -0.919 57.279 58.100 0.163 0.000 1.130 195 Y CB 1.325 39.953 38.460 0.281 0.000 1.164 195 Y HN 0.393 nan 8.280 nan 0.000 0.458 196 N N 1.942 120.716 118.700 0.124 0.000 2.443 196 N HA 0.398 5.138 4.740 0.000 0.000 0.269 196 N C 0.710 176.155 175.510 -0.108 0.000 0.985 196 N CA 0.317 53.360 53.050 -0.013 0.000 0.921 196 N CB 1.965 40.348 38.487 -0.174 0.000 1.195 196 N HN 0.972 nan 8.380 nan 0.000 0.492 197 G N 1.517 110.257 108.800 -0.100 0.000 2.199 197 G HA2 -0.241 3.719 3.960 0.000 0.000 0.254 197 G HA3 -0.241 3.719 3.960 0.000 0.000 0.254 197 G C 0.096 174.817 174.900 -0.298 0.000 0.982 197 G CA 0.645 45.603 45.100 -0.236 0.000 0.632 197 G HN 0.654 nan 8.290 nan 0.000 0.529 198 I N -1.766 118.717 120.570 -0.146 0.000 2.994 198 I HA 0.791 4.961 4.170 0.000 0.000 0.306 198 I C 0.252 176.419 176.117 0.082 0.000 1.195 198 I CA -0.629 60.495 61.300 -0.294 0.000 1.001 198 I CB 1.912 39.654 38.000 -0.430 0.000 1.244 198 I HN 0.168 nan 8.210 nan 0.000 0.437 199 T N -0.367 114.166 114.554 -0.035 0.000 2.874 199 T HA 0.358 4.708 4.350 0.000 0.000 0.281 199 T C -0.076 174.404 174.700 -0.367 0.000 0.994 199 T CA -0.609 61.326 62.100 -0.276 0.000 1.015 199 T CB 1.287 70.088 68.868 -0.112 0.000 1.028 199 T HN 0.758 nan 8.240 nan 0.000 0.523 200 D N -0.065 119.869 120.400 -0.777 0.000 2.425 200 D HA 0.025 4.665 4.640 0.000 0.000 0.274 200 D C 0.996 177.204 176.300 -0.154 0.000 1.242 200 D CA -0.969 52.525 54.000 -0.844 0.000 1.060 200 D CB -0.084 40.272 40.800 -0.739 0.000 1.112 200 D HN 0.697 nan 8.370 nan 0.000 0.561 201 W N -0.350 120.881 121.300 -0.114 0.000 2.378 201 W HA -0.148 4.512 4.660 0.000 0.000 0.313 201 W C 2.190 178.594 176.519 -0.192 0.000 1.197 201 W CA 1.918 59.206 57.345 -0.096 0.000 1.304 201 W CB -0.447 28.915 29.460 -0.165 0.000 1.148 201 W HN 0.146 nan 8.180 nan 0.000 0.494 202 V N 0.138 120.132 119.914 0.132 0.000 2.427 202 V HA -0.305 3.815 4.120 0.000 0.000 0.248 202 V C 1.914 177.795 176.094 -0.355 0.000 1.051 202 V CA 2.035 64.267 62.300 -0.114 0.000 1.048 202 V CB -0.780 30.984 31.823 -0.099 0.000 0.666 202 V HN 0.308 nan 8.190 nan 0.000 0.456 203 Y N 0.606 120.702 120.300 -0.341 0.000 2.293 203 Y HA -0.177 4.373 4.550 0.000 0.000 0.291 203 Y C 2.565 178.350 175.900 -0.192 0.000 1.137 203 Y CA 2.156 60.055 58.100 -0.336 0.000 1.202 203 Y CB -0.018 38.116 38.460 -0.543 0.000 0.990 203 Y HN 0.403 nan 8.280 nan 0.000 0.537 204 E N 0.184 120.332 120.200 -0.087 0.000 2.015 204 E HA -0.275 4.075 4.350 0.000 0.000 0.191 204 E C 2.055 178.594 176.600 -0.101 0.000 0.991 204 E CA 1.478 57.866 56.400 -0.020 0.000 0.802 204 E CB -0.025 29.651 29.700 -0.039 0.000 0.759 204 E HN 0.375 nan 8.360 nan 0.000 0.447 205 E N 0.176 120.105 120.200 -0.451 0.000 2.072 205 E HA -0.162 4.188 4.350 0.000 0.000 0.190 205 E C 1.765 178.209 176.600 -0.259 0.000 0.982 205 E CA 1.559 57.687 56.400 -0.452 0.000 0.803 205 E CB 0.144 29.255 29.700 -0.982 0.000 0.755 205 E HN 0.235 nan 8.360 nan 0.000 0.453 206 E N -0.638 119.375 120.200 -0.311 0.000 2.290 206 E HA 0.062 4.412 4.350 0.000 0.000 0.197 206 E C 2.106 178.546 176.600 -0.266 0.000 0.948 206 E CA 0.572 56.845 56.400 -0.213 0.000 0.895 206 E CB 0.346 29.920 29.700 -0.210 0.000 0.865 206 E HN 0.191 nan 8.360 nan 0.000 0.486 207 V N 0.244 119.912 119.914 -0.409 0.000 2.403 207 V HA -0.039 4.081 4.120 0.000 0.000 0.239 207 V C 1.639 177.506 176.094 -0.377 0.000 1.041 207 V CA 1.179 63.153 62.300 -0.544 0.000 1.051 207 V CB -0.337 30.891 31.823 -0.991 0.000 0.704 207 V HN 0.050 nan 8.190 nan 0.000 0.472 208 F N 0.365 120.310 119.950 -0.008 0.000 2.749 208 F HA 0.287 4.814 4.527 0.000 0.000 0.300 208 F C 1.587 177.396 175.800 0.016 0.000 1.103 208 F CA -0.105 57.931 58.000 0.060 0.000 1.342 208 F CB -0.556 38.530 39.000 0.142 0.000 1.098 208 F HN 0.034 nan 8.300 nan 0.000 0.586 209 S N 0.898 116.688 115.700 0.150 0.000 3.427 209 S HA 0.004 4.474 4.470 0.000 0.000 0.373 209 S C 0.128 174.647 174.600 -0.136 0.000 0.973 209 S CA 0.508 58.793 58.200 0.143 0.000 1.218 209 S CB -1.556 61.715 63.200 0.118 0.000 0.912 209 S HN 0.642 nan 8.310 nan 0.000 0.483 210 A N -0.490 122.329 122.820 -0.002 0.000 2.590 210 A HA 0.629 4.949 4.320 0.000 0.000 0.294 210 A C -0.335 177.264 177.584 0.026 0.000 1.046 210 A CA -0.466 51.471 52.037 -0.165 0.000 0.684 210 A CB 0.230 19.148 19.000 -0.138 0.000 1.279 210 A HN 0.342 nan 8.150 nan 0.000 0.415 211 Y N 1.679 121.829 120.300 -0.250 0.000 2.347 211 Y HA 0.231 4.781 4.550 0.000 0.000 0.294 211 Y C 1.522 177.102 175.900 -0.534 0.000 1.117 211 Y CA 1.199 59.130 58.100 -0.283 0.000 1.184 211 Y CB -0.080 38.238 38.460 -0.238 0.000 1.047 211 Y HN 0.716 nan 8.280 nan 0.000 0.546 212 S N 0.447 115.527 115.700 -1.033 0.000 2.560 212 S HA 0.403 4.873 4.470 0.000 0.000 0.284 212 S C 0.417 174.459 174.600 -0.930 0.000 1.327 212 S CA 0.238 57.621 58.200 -1.362 0.000 1.055 212 S CB 0.414 62.641 63.200 -1.623 0.000 0.868 212 S HN 0.479 nan 8.310 nan 0.000 0.506 213 A N 4.150 126.424 122.820 -0.911 0.000 2.674 213 A HA 0.508 4.828 4.320 0.000 0.000 0.286 213 A C -0.782 176.040 177.584 -1.270 0.000 0.980 213 A CA -0.574 50.927 52.037 -0.893 0.000 1.028 213 A CB -0.324 18.574 19.000 -0.169 0.000 1.199 213 A HN 0.819 nan 8.150 nan 0.000 0.499 214 L N -4.934 115.367 121.223 -1.535 0.000 2.422 214 L HA 0.878 5.218 4.340 0.000 0.000 0.264 214 L C -1.371 174.851 176.870 -1.080 0.000 0.984 214 L CA -1.273 52.941 54.840 -1.043 0.000 0.819 214 L CB 1.003 42.763 42.059 -0.499 0.000 1.330 214 L HN 0.199 nan 8.230 nan 0.000 0.410 215 W N 1.699 123.040 121.300 0.069 0.000 2.631 215 W HA 0.329 4.989 4.660 0.000 0.000 0.321 215 W C -1.365 175.339 176.519 0.310 0.000 1.004 215 W CA -0.798 56.693 57.345 0.242 0.000 1.291 215 W CB 1.381 31.052 29.460 0.351 0.000 1.300 215 W HN 0.629 nan 8.180 nan 0.000 0.422 216 W N 2.421 123.885 121.300 0.274 0.000 2.158 216 W HA 0.182 4.842 4.660 0.000 0.000 0.339 216 W C 1.361 177.720 176.519 -0.266 0.000 1.294 216 W CA 0.484 57.870 57.345 0.069 0.000 1.231 216 W CB 0.733 30.214 29.460 0.035 0.000 1.143 216 W HN 0.195 nan 8.180 nan 0.000 0.571 217 S N 3.288 118.760 115.700 -0.380 0.000 2.603 217 S HA 0.191 4.661 4.470 0.000 0.000 0.268 217 S C -1.283 173.055 174.600 -0.437 0.000 1.317 217 S CA -1.098 56.305 58.200 -1.327 0.000 1.012 217 S CB 1.168 63.571 63.200 -1.328 0.000 0.926 217 S HN 0.396 nan 8.310 nan 0.000 0.539 218 P HA -0.244 nan 4.420 nan 0.000 0.217 218 P C 0.902 178.170 177.300 -0.053 0.000 1.158 218 P CA 1.916 64.979 63.100 -0.061 0.000 0.887 218 P CB -0.319 31.398 31.700 0.028 0.000 0.792 219 N N -1.356 117.301 118.700 -0.072 0.000 2.353 219 N HA 0.040 4.780 4.740 0.000 0.000 0.185 219 N C 1.350 176.793 175.510 -0.111 0.000 1.098 219 N CA 1.014 54.024 53.050 -0.067 0.000 0.872 219 N CB -0.554 37.909 38.487 -0.041 0.000 0.970 219 N HN 0.288 nan 8.380 nan 0.000 0.467 220 G N -0.696 108.042 108.800 -0.104 0.000 2.157 220 G HA2 -0.287 3.673 3.960 0.000 0.000 0.239 220 G HA3 -0.287 3.673 3.960 0.000 0.000 0.239 220 G C 0.825 175.750 174.900 0.043 0.000 0.982 220 G CA 0.625 45.672 45.100 -0.088 0.000 0.650 220 G HN 0.375 nan 8.290 nan 0.000 0.527 221 T N 0.092 114.604 114.554 -0.070 0.000 2.770 221 T HA 0.244 4.594 4.350 0.000 0.000 0.263 221 T C 0.867 175.433 174.700 -0.224 0.000 1.039 221 T CA 1.186 63.152 62.100 -0.223 0.000 1.142 221 T CB -0.090 68.501 68.868 -0.462 0.000 0.868 221 T HN 0.268 nan 8.240 nan 0.000 0.435 222 F N 0.457 120.431 119.950 0.040 0.000 2.399 222 F HA 0.564 5.091 4.527 0.000 0.000 0.328 222 F C 0.053 175.909 175.800 0.094 0.000 1.084 222 F CA -1.321 56.739 58.000 0.100 0.000 1.053 222 F CB 0.921 40.058 39.000 0.228 0.000 1.209 222 F HN -0.079 nan 8.300 nan 0.000 0.502 223 L N 2.740 124.114 121.223 0.252 0.000 2.377 223 L HA 0.690 5.030 4.340 0.000 0.000 0.270 223 L C -0.979 175.975 176.870 0.140 0.000 0.991 223 L CA -0.477 54.324 54.840 -0.065 0.000 0.851 223 L CB 0.902 42.687 42.059 -0.457 0.000 1.218 223 L HN 0.775 nan 8.230 nan 0.000 0.420 224 A N 4.939 127.916 122.820 0.262 0.000 2.312 224 A HA 0.781 5.101 4.320 0.000 0.000 0.328 224 A C -1.354 176.306 177.584 0.126 0.000 1.158 224 A CA -0.312 51.791 52.037 0.110 0.000 0.821 224 A CB 1.017 20.206 19.000 0.315 0.000 1.170 224 A HN 0.728 nan 8.150 nan 0.000 0.490 225 Y N -1.767 118.336 120.300 -0.329 0.000 2.656 225 Y HA 0.772 5.322 4.550 0.000 0.000 0.334 225 Y C -0.379 175.375 175.900 -0.244 0.000 1.179 225 Y CA -0.924 57.043 58.100 -0.221 0.000 1.050 225 Y CB 0.816 39.099 38.460 -0.296 0.000 1.308 225 Y HN 0.962 nan 8.280 nan 0.000 0.456 226 A N 1.634 124.500 122.820 0.077 0.000 2.330 226 A HA 0.729 5.049 4.320 0.000 0.000 0.329 226 A C -1.334 176.127 177.584 -0.205 0.000 1.135 226 A CA -0.882 51.103 52.037 -0.087 0.000 0.817 226 A CB 1.927 20.888 19.000 -0.065 0.000 1.269 226 A HN 0.821 nan 8.150 nan 0.000 0.469 227 Q N 0.680 120.281 119.800 -0.332 0.000 2.337 227 Q HA 0.622 4.962 4.340 0.000 0.000 0.270 227 Q C -2.148 173.610 176.000 -0.403 0.000 1.043 227 Q CA -0.384 55.312 55.803 -0.180 0.000 0.794 227 Q CB 1.185 30.020 28.738 0.162 0.000 1.281 227 Q HN 0.583 nan 8.270 nan 0.000 0.446 228 F N 2.511 122.565 119.950 0.174 0.000 2.467 228 F HA 0.387 4.914 4.527 0.000 0.000 0.336 228 F C 0.334 176.292 175.800 0.264 0.000 1.123 228 F CA -0.940 57.149 58.000 0.148 0.000 0.964 228 F CB 1.479 40.486 39.000 0.012 0.000 1.136 228 F HN 0.429 nan 8.300 nan 0.000 0.447 229 N N 2.450 121.370 118.700 0.368 0.000 2.511 229 N HA 0.178 4.918 4.740 0.000 0.000 0.249 229 N C -0.852 174.835 175.510 0.295 0.000 0.971 229 N CA -0.236 52.990 53.050 0.294 0.000 0.938 229 N CB 0.954 39.560 38.487 0.197 0.000 1.131 229 N HN 0.612 nan 8.380 nan 0.000 0.505 230 D N 1.760 122.363 120.400 0.338 0.000 2.427 230 D HA 0.118 4.758 4.640 0.000 0.000 0.224 230 D C 1.231 177.653 176.300 0.204 0.000 1.157 230 D CA 0.084 54.261 54.000 0.295 0.000 0.828 230 D CB 0.613 41.659 40.800 0.410 0.000 0.974 230 D HN 0.464 nan 8.370 nan 0.000 0.498 231 T N 0.198 114.850 114.554 0.163 0.000 2.597 231 T HA -0.240 4.110 4.350 0.000 0.000 0.267 231 T C 1.598 176.356 174.700 0.097 0.000 1.053 231 T CA 1.356 63.523 62.100 0.113 0.000 1.165 231 T CB -0.105 68.819 68.868 0.093 0.000 0.863 231 T HN 0.116 nan 8.240 nan 0.000 0.427 232 E N 0.334 120.592 120.200 0.098 0.000 2.476 232 E HA 0.128 4.478 4.350 0.000 0.000 0.191 232 E C -0.478 176.175 176.600 0.088 0.000 1.064 232 E CA -0.143 56.306 56.400 0.081 0.000 0.866 232 E CB 0.164 29.907 29.700 0.071 0.000 0.952 232 E HN 0.189 nan 8.360 nan 0.000 0.492 233 V N 2.875 122.857 119.914 0.112 0.000 2.432 233 V HA 0.204 4.324 4.120 0.000 0.000 0.271 233 V C -2.052 174.105 176.094 0.105 0.000 1.046 233 V CA -1.876 60.494 62.300 0.118 0.000 0.945 233 V CB 0.966 32.880 31.823 0.152 0.000 0.992 233 V HN 0.119 nan 8.190 nan 0.000 0.471 234 P HA 0.125 nan 4.420 nan 0.000 0.266 234 P C -0.653 176.688 177.300 0.068 0.000 1.193 234 P CA 0.086 63.225 63.100 0.066 0.000 0.770 234 P CB 0.451 32.188 31.700 0.061 0.000 0.836 235 L N 2.698 123.938 121.223 0.028 0.000 2.322 235 L HA 0.470 4.810 4.340 0.000 0.000 0.279 235 L C 0.319 177.141 176.870 -0.079 0.000 1.036 235 L CA -0.980 53.862 54.840 0.003 0.000 0.807 235 L CB 1.132 43.189 42.059 -0.004 0.000 1.226 235 L HN 0.296 nan 8.230 nan 0.000 0.433 236 I N 2.175 122.652 120.570 -0.155 0.000 2.396 236 I HA 0.278 4.448 4.170 0.000 0.000 0.292 236 I C -0.460 175.523 176.117 -0.224 0.000 0.999 236 I CA 0.207 61.309 61.300 -0.331 0.000 1.310 236 I CB 0.929 38.476 38.000 -0.756 0.000 1.404 236 I HN 0.562 nan 8.210 nan 0.000 0.496 237 E N 7.377 127.464 120.200 -0.188 0.000 2.234 237 E HA 0.521 4.871 4.350 0.000 0.000 0.266 237 E C -1.830 174.726 176.600 -0.073 0.000 0.877 237 E CA -0.610 55.682 56.400 -0.180 0.000 0.758 237 E CB 2.125 31.739 29.700 -0.143 0.000 1.170 237 E HN 0.570 nan 8.360 nan 0.000 0.415 238 Y N -1.779 118.441 120.300 -0.134 0.000 2.592 238 Y HA 0.509 5.059 4.550 0.000 0.000 0.334 238 Y C -0.765 175.074 175.900 -0.101 0.000 1.136 238 Y CA -1.233 56.797 58.100 -0.117 0.000 1.042 238 Y CB 0.772 39.172 38.460 -0.100 0.000 1.325 238 Y HN 0.208 nan 8.280 nan 0.000 0.457 239 S N 2.114 117.801 115.700 -0.021 0.000 2.580 239 S HA 0.484 4.954 4.470 0.000 0.000 0.274 239 S C -1.366 173.093 174.600 -0.234 0.000 1.329 239 S CA -0.353 57.695 58.200 -0.255 0.000 1.036 239 S CB 0.531 63.429 63.200 -0.503 0.000 0.919 239 S HN 0.546 nan 8.310 nan 0.000 0.515 240 F N 2.206 121.896 119.950 -0.433 0.000 2.499 240 F HA 0.426 4.953 4.527 0.000 0.000 0.333 240 F C -0.221 175.348 175.800 -0.385 0.000 1.138 240 F CA -0.981 56.866 58.000 -0.254 0.000 0.945 240 F CB 0.689 39.653 39.000 -0.060 0.000 1.181 240 F HN 0.638 nan 8.300 nan 0.000 0.435 241 Y N 2.815 122.873 120.300 -0.403 0.000 2.337 241 Y HA 0.066 4.616 4.550 0.000 0.000 0.293 241 Y C 1.816 177.619 175.900 -0.163 0.000 1.123 241 Y CA 1.256 59.219 58.100 -0.229 0.000 1.201 241 Y CB -0.668 37.656 38.460 -0.226 0.000 1.011 241 Y HN 0.740 nan 8.280 nan 0.000 0.545 242 S N -0.478 115.091 115.700 -0.218 0.000 3.514 242 S HA -0.223 4.247 4.470 0.000 0.000 0.634 242 S C -0.545 174.093 174.600 0.064 0.000 2.489 242 S CA 0.262 58.508 58.200 0.077 0.000 2.771 242 S CB -1.293 62.060 63.200 0.254 0.000 0.328 242 S HN 0.450 nan 8.310 nan 0.000 1.714 243 D N 1.549 122.008 120.400 0.099 0.000 2.382 243 D HA 0.177 4.817 4.640 0.000 0.000 0.240 243 D C 1.396 177.725 176.300 0.048 0.000 1.146 243 D CA 0.334 54.373 54.000 0.066 0.000 0.897 243 D CB 0.358 41.200 40.800 0.068 0.000 1.197 243 D HN 0.616 nan 8.370 nan 0.000 0.432 244 E N 0.643 120.860 120.200 0.029 0.000 2.147 244 E HA -0.265 4.085 4.350 0.000 0.000 0.199 244 E C 1.650 178.260 176.600 0.016 0.000 1.005 244 E CA 1.653 58.062 56.400 0.014 0.000 0.810 244 E CB 0.088 29.791 29.700 0.005 0.000 0.736 244 E HN 0.467 nan 8.360 nan 0.000 0.460 245 S N 0.002 115.717 115.700 0.025 0.000 2.493 245 S HA -0.119 4.351 4.470 0.000 0.000 0.243 245 S C 1.048 175.667 174.600 0.032 0.000 0.991 245 S CA 0.206 58.421 58.200 0.025 0.000 0.957 245 S CB -0.212 63.006 63.200 0.031 0.000 0.756 245 S HN 0.234 nan 8.310 nan 0.000 0.521 246 L N 2.097 123.347 121.223 0.044 0.000 2.315 246 L HA 0.191 4.531 4.340 0.000 0.000 0.283 246 L C 1.597 178.486 176.870 0.031 0.000 1.089 246 L CA -0.120 54.755 54.840 0.058 0.000 0.833 246 L CB 1.165 43.273 42.059 0.081 0.000 1.170 246 L HN 0.424 nan 8.230 nan 0.000 0.442 247 Q N 4.122 123.937 119.800 0.025 0.000 2.046 247 Q HA -0.115 4.225 4.340 0.000 0.000 0.200 247 Q C -0.558 175.321 176.000 -0.202 0.000 0.975 247 Q CA 1.458 57.209 55.803 -0.087 0.000 0.836 247 Q CB 0.169 28.868 28.738 -0.065 0.000 0.896 247 Q HN 0.573 nan 8.270 nan 0.000 0.428 248 Y N 0.837 121.144 120.300 0.011 0.000 2.328 248 Y HA 0.385 4.935 4.550 0.000 0.000 0.337 248 Y C -2.005 173.890 175.900 -0.008 0.000 0.966 248 Y CA -2.885 55.215 58.100 0.001 0.000 1.136 248 Y CB 1.290 39.745 38.460 -0.010 0.000 1.170 248 Y HN 0.183 nan 8.280 nan 0.000 0.470 249 P HA -0.008 nan 4.420 nan 0.000 0.267 249 P C -0.682 176.606 177.300 -0.020 0.000 1.201 249 P CA -0.337 62.745 63.100 -0.029 0.000 0.775 249 P CB 0.711 32.321 31.700 -0.151 0.000 0.854 250 K N 0.746 121.116 120.400 -0.049 0.000 2.118 250 K HA 0.420 4.740 4.320 0.000 0.000 0.254 250 K C -0.813 175.731 176.600 -0.093 0.000 0.961 250 K CA -0.436 55.833 56.287 -0.029 0.000 0.876 250 K CB 0.772 33.289 32.500 0.028 0.000 1.077 250 K HN 0.307 nan 8.250 nan 0.000 0.440 251 T N 2.533 117.020 114.554 -0.111 0.000 2.756 251 T HA 0.251 4.601 4.350 0.000 0.000 0.290 251 T C -0.724 173.842 174.700 -0.223 0.000 0.985 251 T CA -0.611 61.388 62.100 -0.169 0.000 0.955 251 T CB 1.110 69.896 68.868 -0.138 0.000 0.930 251 T HN 0.282 nan 8.240 nan 0.000 0.451 252 V N 6.221 125.898 119.914 -0.396 0.000 2.432 252 V HA 0.469 4.589 4.120 0.000 0.000 0.275 252 V C 0.368 176.190 176.094 -0.455 0.000 1.043 252 V CA -0.694 61.320 62.300 -0.477 0.000 0.925 252 V CB 0.571 31.905 31.823 -0.815 0.000 0.985 252 V HN 0.754 nan 8.190 nan 0.000 0.466 253 R N 4.155 124.527 120.500 -0.213 0.000 2.451 253 R HA 0.728 5.068 4.340 0.000 0.000 0.307 253 R C -1.839 174.463 176.300 0.004 0.000 0.965 253 R CA -0.580 55.443 56.100 -0.128 0.000 0.865 253 R CB 1.432 31.680 30.300 -0.087 0.000 1.174 253 R HN 0.357 nan 8.270 nan 0.000 0.455 254 V N 3.681 123.610 119.914 0.026 0.000 2.487 254 V HA 0.342 4.462 4.120 0.000 0.000 0.298 254 V C -2.297 173.882 176.094 0.140 0.000 1.028 254 V CA -2.499 59.895 62.300 0.156 0.000 0.860 254 V CB 2.195 34.124 31.823 0.177 0.000 0.991 254 V HN 0.612 nan 8.190 nan 0.000 0.427 255 P HA 0.101 nan 4.420 nan 0.000 0.262 255 P C -1.337 176.100 177.300 0.228 0.000 1.199 255 P CA 0.480 63.711 63.100 0.218 0.000 0.763 255 P CB -0.137 31.742 31.700 0.298 0.000 0.790 256 Y N 6.304 126.603 120.300 -0.002 0.000 2.323 256 Y HA 0.372 4.922 4.550 0.000 0.000 0.322 256 Y C -2.780 173.104 175.900 -0.026 0.000 1.133 256 Y CA -2.709 55.344 58.100 -0.079 0.000 1.093 256 Y CB 1.857 40.149 38.460 -0.280 0.000 1.203 256 Y HN 0.282 nan 8.280 nan 0.000 0.427 257 P HA 0.276 nan 4.420 nan 0.000 0.292 257 P C -1.014 176.348 177.300 0.104 0.000 1.326 257 P CA -0.276 62.876 63.100 0.086 0.000 0.787 257 P CB 1.497 33.227 31.700 0.050 0.000 0.903 258 K N 2.008 122.539 120.400 0.218 0.000 2.107 258 K HA 0.501 4.821 4.320 0.000 0.000 0.251 258 K C 0.534 177.230 176.600 0.160 0.000 1.012 258 K CA -0.726 55.705 56.287 0.240 0.000 0.920 258 K CB 0.675 33.327 32.500 0.254 0.000 1.033 258 K HN 0.459 nan 8.250 nan 0.000 0.478 259 A N 0.820 123.757 122.820 0.196 0.000 2.573 259 A HA 0.242 4.562 4.320 0.000 0.000 0.250 259 A C 1.216 178.832 177.584 0.053 0.000 1.049 259 A CA 1.147 53.285 52.037 0.168 0.000 0.767 259 A CB -1.219 17.961 19.000 0.301 0.000 0.965 259 A HN 0.922 nan 8.150 nan 0.000 0.514 260 G N 1.105 109.927 108.800 0.036 0.000 2.253 260 G HA2 0.099 4.059 3.960 0.000 0.000 0.251 260 G HA3 0.099 4.059 3.960 0.000 0.000 0.251 260 G C 0.749 175.661 174.900 0.020 0.000 0.998 260 G CA 0.735 45.832 45.100 -0.006 0.000 0.621 260 G HN 2.224 nan 8.290 nan 0.000 0.524 261 A N -0.075 122.774 122.820 0.049 0.000 2.310 261 A HA 0.696 5.016 4.320 0.000 0.000 0.260 261 A C 0.927 178.546 177.584 0.057 0.000 1.112 261 A CA 0.427 52.498 52.037 0.056 0.000 0.804 261 A CB 0.517 19.566 19.000 0.081 0.000 1.081 261 A HN 1.198 nan 8.150 nan 0.000 0.499 262 V N 2.354 122.303 119.914 0.058 0.000 2.585 262 V HA 0.029 4.149 4.120 0.000 0.000 0.296 262 V C 0.433 176.576 176.094 0.082 0.000 1.035 262 V CA -0.116 62.221 62.300 0.060 0.000 1.084 262 V CB 0.012 31.872 31.823 0.061 0.000 0.953 262 V HN 0.808 nan 8.190 nan 0.000 0.483 263 N N 5.825 124.575 118.700 0.082 0.000 2.495 263 N HA 0.471 5.211 4.740 0.000 0.000 0.280 263 N C -2.343 173.258 175.510 0.152 0.000 1.168 263 N CA -1.434 51.691 53.050 0.125 0.000 0.978 263 N CB 1.373 39.941 38.487 0.134 0.000 1.191 263 N HN 0.408 nan 8.380 nan 0.000 0.497 264 P HA 0.089 nan 4.420 nan 0.000 0.272 264 P C -0.420 177.038 177.300 0.264 0.000 1.230 264 P CA -0.125 63.131 63.100 0.260 0.000 0.788 264 P CB 0.417 32.309 31.700 0.320 0.000 0.949 265 T N -1.973 112.721 114.554 0.234 0.000 2.945 265 T HA 0.596 4.946 4.350 0.000 0.000 0.286 265 T C -0.331 174.509 174.700 0.233 0.000 1.025 265 T CA -0.834 61.368 62.100 0.169 0.000 1.039 265 T CB 1.495 70.428 68.868 0.108 0.000 1.068 265 T HN 0.348 nan 8.240 nan 0.000 0.497 266 V N 0.470 120.498 119.914 0.190 0.000 2.925 266 V HA 0.774 4.894 4.120 0.000 0.000 0.311 266 V C -1.565 174.626 176.094 0.161 0.000 1.104 266 V CA -0.869 61.516 62.300 0.141 0.000 0.954 266 V CB 2.119 34.060 31.823 0.197 0.000 1.022 266 V HN 1.068 nan 8.190 nan 0.000 0.427 267 K N 4.193 124.629 120.400 0.060 0.000 2.477 267 K HA 0.565 4.885 4.320 0.000 0.000 0.255 267 K C -1.968 174.619 176.600 -0.022 0.000 0.952 267 K CA -0.479 55.833 56.287 0.042 0.000 0.826 267 K CB 2.779 35.310 32.500 0.051 0.000 1.331 267 K HN 0.565 nan 8.250 nan 0.000 0.437 268 F N 2.339 122.078 119.950 -0.352 0.000 2.520 268 F HA 0.579 5.106 4.527 0.000 0.000 0.322 268 F C -1.423 173.942 175.800 -0.725 0.000 1.103 268 F CA -0.637 57.137 58.000 -0.377 0.000 0.926 268 F CB 0.839 39.703 39.000 -0.226 0.000 1.154 268 F HN 0.383 nan 8.300 nan 0.000 0.453 269 F N 3.640 122.853 119.950 -1.228 0.000 2.620 269 F HA 0.782 5.309 4.527 0.000 0.000 0.320 269 F C -0.989 174.171 175.800 -1.067 0.000 1.069 269 F CA -1.202 56.206 58.000 -0.987 0.000 0.953 269 F CB 2.107 40.483 39.000 -1.040 0.000 1.322 269 F HN 0.120 nan 8.300 nan 0.000 0.479 270 V N 2.260 121.981 119.914 -0.322 0.000 2.668 270 V HA 0.605 4.725 4.120 0.000 0.000 0.304 270 V C -1.266 174.923 176.094 0.158 0.000 1.071 270 V CA -0.766 61.430 62.300 -0.173 0.000 0.894 270 V CB 1.915 33.452 31.823 -0.475 0.000 1.008 270 V HN 0.622 nan 8.190 nan 0.000 0.425 271 V N 4.414 124.484 119.914 0.260 0.000 2.769 271 V HA 0.559 4.679 4.120 0.000 0.000 0.312 271 V C -0.249 176.058 176.094 0.355 0.000 1.061 271 V CA -0.632 61.845 62.300 0.294 0.000 0.931 271 V CB 2.131 34.073 31.823 0.199 0.000 1.010 271 V HN 0.996 nan 8.190 nan 0.000 0.433 272 N N 2.996 121.873 118.700 0.295 0.000 2.469 272 N HA 0.157 4.897 4.740 0.000 0.000 0.239 272 N C 1.170 176.672 175.510 -0.013 0.000 1.053 272 N CA 0.309 53.417 53.050 0.098 0.000 0.937 272 N CB 1.117 39.627 38.487 0.038 0.000 1.163 272 N HN 0.904 nan 8.380 nan 0.000 0.509 273 T N -0.039 114.501 114.554 -0.023 0.000 3.051 273 T HA -0.071 4.279 4.350 0.000 0.000 0.269 273 T C 0.740 175.383 174.700 -0.095 0.000 1.127 273 T CA 0.760 62.839 62.100 -0.034 0.000 1.107 273 T CB 0.053 68.993 68.868 0.120 0.000 0.898 273 T HN 0.400 nan 8.240 nan 0.000 0.517 274 D N 1.595 121.922 120.400 -0.121 0.000 2.355 274 D HA 0.043 4.683 4.640 0.000 0.000 0.218 274 D C 1.915 178.152 176.300 -0.105 0.000 1.004 274 D CA 0.880 54.808 54.000 -0.120 0.000 0.880 274 D CB 0.149 40.863 40.800 -0.143 0.000 0.911 274 D HN 0.683 nan 8.370 nan 0.000 0.528 275 S N -0.799 114.841 115.700 -0.099 0.000 2.539 275 S HA 0.144 4.614 4.470 0.000 0.000 0.221 275 S C 1.869 176.407 174.600 -0.104 0.000 0.987 275 S CA -0.324 57.837 58.200 -0.066 0.000 0.929 275 S CB -0.051 63.141 63.200 -0.012 0.000 0.832 275 S HN 0.094 nan 8.310 nan 0.000 0.492 276 L N 2.267 123.351 121.223 -0.232 0.000 2.042 276 L HA -0.047 4.293 4.340 0.000 0.000 0.210 276 L C 2.284 178.942 176.870 -0.355 0.000 1.076 276 L CA 1.521 56.096 54.840 -0.441 0.000 0.749 276 L CB -0.689 40.767 42.059 -1.006 0.000 0.893 276 L HN 0.552 nan 8.230 nan 0.000 0.432 277 S N -2.389 113.154 115.700 -0.261 0.000 2.767 277 S HA 0.175 4.645 4.470 0.000 0.000 0.253 277 S C 0.856 175.485 174.600 0.048 0.000 1.082 277 S CA 0.013 58.230 58.200 0.028 0.000 1.148 277 S CB 0.373 63.620 63.200 0.078 0.000 0.808 277 S HN 0.268 nan 8.310 nan 0.000 0.466 278 S N -0.288 115.430 115.700 0.029 0.000 2.546 278 S HA 0.104 4.574 4.470 0.000 0.000 0.282 278 S C 1.127 175.753 174.600 0.045 0.000 1.074 278 S CA 0.262 58.483 58.200 0.036 0.000 1.254 278 S CB 0.610 63.820 63.200 0.017 0.000 1.103 278 S HN 0.653 nan 8.310 nan 0.000 0.589 279 V N -1.988 117.955 119.914 0.048 0.000 3.645 279 V HA 0.456 4.576 4.120 0.000 0.000 0.275 279 V C 1.046 177.183 176.094 0.073 0.000 1.356 279 V CA 0.862 63.195 62.300 0.054 0.000 1.051 279 V CB 0.140 31.992 31.823 0.048 0.000 0.828 279 V HN 0.309 nan 8.190 nan 0.000 0.441 280 T N 0.617 115.237 114.554 0.110 0.000 11.472 280 T HA -0.256 4.094 4.350 0.000 0.000 0.387 280 T C 0.410 175.203 174.700 0.155 0.000 1.670 280 T CA 1.911 64.092 62.100 0.135 0.000 2.698 280 T CB -1.210 67.708 68.868 0.083 0.000 2.581 280 T HN 0.744 nan 8.240 nan 0.000 0.809 281 N N 0.800 119.569 118.700 0.114 0.000 2.751 281 N HA 0.602 5.342 4.740 0.000 0.000 0.234 281 N C -0.521 175.051 175.510 0.103 0.000 1.403 281 N CA 0.626 53.751 53.050 0.126 0.000 0.747 281 N CB 0.723 39.214 38.487 0.007 0.000 1.326 281 N HN 0.704 nan 8.380 nan 0.000 0.532 282 A N 1.225 124.111 122.820 0.110 0.000 2.567 282 A HA 0.283 4.603 4.320 0.000 0.000 0.240 282 A C 0.890 178.542 177.584 0.112 0.000 1.053 282 A CA 0.407 52.498 52.037 0.088 0.000 0.755 282 A CB -0.277 18.755 19.000 0.053 0.000 0.978 282 A HN 0.571 nan 8.150 nan 0.000 0.507 283 T N 1.570 116.194 114.554 0.116 0.000 2.869 283 T HA 0.417 4.767 4.350 0.000 0.000 0.295 283 T C 0.214 175.019 174.700 0.175 0.000 0.987 283 T CA -0.198 61.981 62.100 0.132 0.000 1.109 283 T CB 0.260 69.203 68.868 0.125 0.000 0.932 283 T HN 0.499 nan 8.240 nan 0.000 0.518 284 S N 5.085 120.890 115.700 0.175 0.000 2.430 284 S HA 0.377 4.847 4.470 0.000 0.000 0.289 284 S C 0.290 175.083 174.600 0.321 0.000 1.143 284 S CA -0.847 57.487 58.200 0.223 0.000 1.067 284 S CB -0.084 63.189 63.200 0.121 0.000 0.964 284 S HN 0.614 nan 8.310 nan 0.000 0.485 285 I N 3.524 124.275 120.570 0.303 0.000 2.441 285 I HA 0.196 4.366 4.170 0.000 0.000 0.287 285 I C 0.691 176.912 176.117 0.174 0.000 1.049 285 I CA 0.024 61.493 61.300 0.282 0.000 1.381 285 I CB 0.606 38.834 38.000 0.381 0.000 1.409 285 I HN 0.625 nan 8.210 nan 0.000 0.523 286 Q N 6.172 126.011 119.800 0.065 0.000 2.241 286 Q HA 0.516 4.856 4.340 0.000 0.000 0.254 286 Q C -1.115 174.798 176.000 -0.146 0.000 0.917 286 Q CA -0.582 55.043 55.803 -0.297 0.000 0.919 286 Q CB 1.474 29.956 28.738 -0.428 0.000 1.237 286 Q HN 0.537 nan 8.270 nan 0.000 0.434 287 I N 4.149 124.632 120.570 -0.146 0.000 2.354 287 I HA 0.205 4.375 4.170 0.000 0.000 0.286 287 I C 0.723 176.828 176.117 -0.019 0.000 1.007 287 I CA -0.423 60.867 61.300 -0.018 0.000 1.167 287 I CB 1.421 39.444 38.000 0.038 0.000 1.320 287 I HN 0.739 nan 8.210 nan 0.000 0.458 288 T N 3.251 117.752 114.554 -0.089 0.000 2.990 288 T HA 0.806 5.156 4.350 0.000 0.000 0.296 288 T C 0.876 175.363 174.700 -0.356 0.000 1.189 288 T CA 0.272 62.262 62.100 -0.183 0.000 0.938 288 T CB 0.975 69.740 68.868 -0.171 0.000 1.994 288 T HN 0.878 nan 8.240 nan 0.000 0.584 289 A N 0.843 123.391 122.820 -0.453 0.000 6.048 289 A HA -0.045 4.275 4.320 0.000 0.000 0.289 289 A C -2.409 174.551 177.584 -1.041 0.000 1.956 289 A CA 0.291 51.987 52.037 -0.570 0.000 0.733 289 A CB -2.862 15.931 19.000 -0.345 0.000 1.204 289 A HN 0.878 nan 8.150 nan 0.000 0.387 290 P HA 0.419 nan 4.420 nan 0.000 0.272 290 P C 0.940 178.022 177.300 -0.364 0.000 1.223 290 P CA 0.666 63.506 63.100 -0.434 0.000 0.784 290 P CB 0.600 32.115 31.700 -0.308 0.000 0.923 291 A N 2.558 125.237 122.820 -0.234 0.000 1.917 291 A HA -0.231 4.089 4.320 0.000 0.000 0.219 291 A C 2.132 179.616 177.584 -0.167 0.000 1.182 291 A CA 2.551 54.478 52.037 -0.184 0.000 0.633 291 A CB -1.906 17.020 19.000 -0.124 0.000 0.819 291 A HN 0.629 nan 8.150 nan 0.000 0.448 292 S N -1.934 113.690 115.700 -0.127 0.000 2.442 292 S HA -0.127 4.343 4.470 0.000 0.000 0.236 292 S C 1.685 176.230 174.600 -0.091 0.000 1.007 292 S CA 1.814 59.971 58.200 -0.072 0.000 0.965 292 S CB -0.267 62.966 63.200 0.055 0.000 0.773 292 S HN 0.384 nan 8.310 nan 0.000 0.504 293 M N 0.958 120.433 119.600 -0.208 0.000 2.552 293 M HA 0.472 4.952 4.480 0.000 0.000 0.264 293 M C 1.629 177.661 176.300 -0.447 0.000 1.159 293 M CA 0.903 56.010 55.300 -0.322 0.000 1.176 293 M CB -0.464 31.812 32.600 -0.540 0.000 1.327 293 M HN 0.252 nan 8.290 nan 0.000 0.481 294 L N -0.434 120.526 121.223 -0.437 0.000 2.456 294 L HA -0.096 4.244 4.340 0.000 0.000 0.224 294 L C 2.174 178.984 176.870 -0.100 0.000 1.148 294 L CA 0.548 55.222 54.840 -0.277 0.000 0.825 294 L CB -0.699 41.214 42.059 -0.243 0.000 0.937 294 L HN 0.326 nan 8.230 nan 0.000 0.450 295 I N -0.440 120.068 120.570 -0.102 0.000 2.567 295 I HA -0.086 4.084 4.170 0.000 0.000 0.257 295 I C 1.043 177.146 176.117 -0.023 0.000 1.184 295 I CA 0.826 62.089 61.300 -0.062 0.000 1.451 295 I CB 0.077 38.030 38.000 -0.078 0.000 1.089 295 I HN 0.251 nan 8.210 nan 0.000 0.441 296 G N -0.730 108.080 108.800 0.016 0.000 2.634 296 G HA2 0.174 4.134 3.960 0.000 0.000 0.309 296 G HA3 0.174 4.134 3.960 0.000 0.000 0.309 296 G C -1.685 173.280 174.900 0.108 0.000 1.299 296 G CA -0.601 44.521 45.100 0.036 0.000 0.798 296 G HN -0.037 nan 8.290 nan 0.000 0.490 297 D N 1.363 121.769 120.400 0.011 0.000 2.488 297 D HA 0.396 5.036 4.640 0.000 0.000 0.238 297 D C 0.459 176.698 176.300 -0.102 0.000 1.138 297 D CA 0.779 54.722 54.000 -0.095 0.000 0.873 297 D CB 0.359 41.074 40.800 -0.143 0.000 1.183 297 D HN 0.539 nan 8.370 nan 0.000 0.458 298 H N -0.581 118.356 119.070 -0.222 0.000 2.928 298 H HA 0.492 5.048 4.556 0.000 0.000 0.285 298 H C -1.245 173.938 175.328 -0.242 0.000 1.438 298 H CA -0.780 55.132 56.048 -0.226 0.000 1.176 298 H CB 0.479 30.250 29.762 0.015 0.000 1.864 298 H HN 0.303 nan 8.280 nan 0.000 0.567 299 Y N -0.422 120.110 120.300 0.387 0.000 2.609 299 Y HA 0.447 4.997 4.550 0.000 0.000 0.342 299 Y C -0.726 175.420 175.900 0.410 0.000 1.058 299 Y CA -1.158 57.151 58.100 0.347 0.000 1.055 299 Y CB 1.921 40.426 38.460 0.075 0.000 1.292 299 Y HN 0.498 nan 8.280 nan 0.000 0.476 300 L N 2.319 123.831 121.223 0.482 0.000 2.276 300 L HA 0.469 4.809 4.340 0.000 0.000 0.286 300 L C 0.206 177.052 176.870 -0.041 0.000 1.024 300 L CA -0.397 54.399 54.840 -0.073 0.000 0.826 300 L CB 0.558 42.514 42.059 -0.172 0.000 1.211 300 L HN 0.962 nan 8.230 nan 0.000 0.422 301 C N 1.097 120.275 119.300 -0.204 0.000 2.912 301 C HA 0.490 4.950 4.460 0.000 0.000 0.274 301 C C 0.357 175.228 174.990 -0.198 0.000 1.248 301 C CA -0.337 58.495 59.018 -0.310 0.000 1.694 301 C CB -0.653 26.976 27.740 -0.184 0.000 2.024 301 C HN 0.845 nan 8.230 nan 0.000 0.605 302 D N -0.097 120.201 120.400 -0.169 0.000 2.769 302 D HA 0.388 5.028 4.640 0.000 0.000 0.219 302 D C -1.849 174.186 176.300 -0.441 0.000 1.245 302 D CA 0.081 53.999 54.000 -0.135 0.000 0.801 302 D CB 2.639 43.348 40.800 -0.152 0.000 1.598 302 D HN 0.283 nan 8.370 nan 0.000 0.485 303 V N 1.761 121.327 119.914 -0.579 0.000 2.655 303 V HA 0.788 4.908 4.120 0.000 0.000 0.301 303 V C -1.486 174.197 176.094 -0.684 0.000 1.082 303 V CA 0.186 61.951 62.300 -0.893 0.000 0.899 303 V CB 1.554 32.481 31.823 -1.494 0.000 1.014 303 V HN 0.701 nan 8.190 nan 0.000 0.429 304 T N 3.060 117.325 114.554 -0.482 0.000 2.971 304 T HA 0.582 4.932 4.350 0.000 0.000 0.304 304 T C -1.078 173.476 174.700 -0.243 0.000 1.038 304 T CA -0.391 61.581 62.100 -0.215 0.000 1.007 304 T CB 1.177 70.002 68.868 -0.073 0.000 1.055 304 T HN 0.780 nan 8.240 nan 0.000 0.451 305 W N 2.681 123.916 121.300 -0.109 0.000 2.238 305 W HA 0.576 5.236 4.660 -0.000 0.000 0.321 305 W C 1.189 177.575 176.519 -0.223 0.000 1.293 305 W CA -0.047 57.227 57.345 -0.120 0.000 1.204 305 W CB 0.882 30.359 29.460 0.028 0.000 1.167 305 W HN 0.997 nan 8.180 nan 0.000 0.553 306 A N 2.023 124.693 122.820 -0.250 0.000 1.924 306 A HA 0.182 4.502 4.320 0.000 0.000 0.211 306 A C 0.946 178.490 177.584 -0.066 0.000 1.198 306 A CA 1.577 53.273 52.037 -0.568 0.000 0.657 306 A CB -0.387 17.818 19.000 -1.326 0.000 0.852 306 A HN 0.539 nan 8.150 nan 0.000 0.454 307 T N -5.723 108.887 114.554 0.094 0.000 2.654 307 T HA 0.343 4.693 4.350 0.000 0.000 0.289 307 T C 0.208 175.097 174.700 0.315 0.000 1.062 307 T CA -0.386 61.824 62.100 0.183 0.000 1.041 307 T CB 0.679 69.636 68.868 0.149 0.000 1.417 307 T HN -0.045 nan 8.240 nan 0.000 0.510 308 Q N 0.361 120.311 119.800 0.251 0.000 2.226 308 Q HA 0.003 4.343 4.340 0.000 0.000 0.204 308 Q C 0.851 177.131 176.000 0.467 0.000 0.975 308 Q CA 1.525 57.488 55.803 0.266 0.000 0.866 308 Q CB -0.117 28.731 28.738 0.183 0.000 0.915 308 Q HN 0.823 nan 8.270 nan 0.000 0.440 309 E N -0.270 120.202 120.200 0.454 0.000 2.758 309 E HA 0.198 4.548 4.350 0.000 0.000 0.215 309 E C -0.181 176.697 176.600 0.464 0.000 0.985 309 E CA -0.179 56.506 56.400 0.475 0.000 1.102 309 E CB 1.035 30.915 29.700 0.299 0.000 1.042 309 E HN -0.035 nan 8.360 nan 0.000 0.480 310 R N 1.614 122.392 120.500 0.464 0.000 2.575 310 R HA 0.571 4.911 4.340 0.000 0.000 0.293 310 R C -1.730 174.560 176.300 -0.016 0.000 0.983 310 R CA -0.473 55.760 56.100 0.222 0.000 0.887 310 R CB 1.375 31.709 30.300 0.056 0.000 1.184 310 R HN 0.073 nan 8.270 nan 0.000 0.445 311 I N 2.971 123.360 120.570 -0.302 0.000 2.686 311 I HA 0.400 4.570 4.170 0.000 0.000 0.295 311 I C -1.066 174.717 176.117 -0.557 0.000 1.114 311 I CA -0.522 60.331 61.300 -0.745 0.000 1.038 311 I CB 2.379 39.479 38.000 -1.499 0.000 1.238 311 I HN 0.856 nan 8.210 nan 0.000 0.420 312 S N 7.232 122.602 115.700 -0.549 0.000 2.472 312 S HA 0.763 5.233 4.470 0.000 0.000 0.303 312 S C -1.095 173.189 174.600 -0.527 0.000 1.099 312 S CA -0.717 57.242 58.200 -0.401 0.000 1.077 312 S CB 1.813 64.885 63.200 -0.213 0.000 1.031 312 S HN 0.407 nan 8.310 nan 0.000 0.487 313 L N 2.417 123.347 121.223 -0.488 0.000 2.356 313 L HA 0.507 4.847 4.340 0.000 0.000 0.277 313 L C -0.168 176.397 176.870 -0.509 0.000 0.996 313 L CA -0.108 54.331 54.840 -0.669 0.000 0.822 313 L CB 1.820 43.412 42.059 -0.778 0.000 1.256 313 L HN 0.807 nan 8.230 nan 0.000 0.413 314 Q N 2.250 121.712 119.800 -0.563 0.000 2.307 314 Q HA 0.445 4.785 4.340 0.000 0.000 0.262 314 Q C -1.554 174.186 176.000 -0.433 0.000 0.961 314 Q CA -0.424 55.171 55.803 -0.347 0.000 0.882 314 Q CB 1.717 30.305 28.738 -0.249 0.000 1.264 314 Q HN 0.495 nan 8.270 nan 0.000 0.446 315 W N 2.655 123.896 121.300 -0.099 0.000 2.639 315 W HA 0.631 5.291 4.660 0.000 0.000 0.347 315 W C -0.898 175.632 176.519 0.019 0.000 1.067 315 W CA -0.664 56.671 57.345 -0.017 0.000 1.218 315 W CB 1.034 30.464 29.460 -0.050 0.000 1.393 315 W HN 0.379 nan 8.180 nan 0.000 0.557 316 L N 2.201 123.638 121.223 0.356 0.000 2.436 316 L HA 0.559 4.899 4.340 0.000 0.000 0.268 316 L C -0.286 176.754 176.870 0.283 0.000 0.974 316 L CA -1.137 53.869 54.840 0.276 0.000 0.826 316 L CB 1.441 43.649 42.059 0.248 0.000 1.291 316 L HN 0.414 nan 8.230 nan 0.000 0.406 317 R N 2.806 123.440 120.500 0.224 0.000 2.641 317 R HA 0.266 4.606 4.340 0.000 0.000 0.269 317 R C 1.072 177.397 176.300 0.042 0.000 1.074 317 R CA -0.286 55.895 56.100 0.135 0.000 1.133 317 R CB 0.584 30.973 30.300 0.147 0.000 1.029 317 R HN 0.650 nan 8.270 nan 0.000 0.488 318 R N 1.477 121.905 120.500 -0.120 0.000 2.103 318 R HA -0.108 4.232 4.340 0.000 0.000 0.242 318 R C 0.475 176.801 176.300 0.044 0.000 1.142 318 R CA 1.232 57.242 56.100 -0.149 0.000 0.960 318 R CB 0.113 30.310 30.300 -0.171 0.000 0.858 318 R HN 0.424 nan 8.270 nan 0.000 0.439 319 I N 3.107 123.698 120.570 0.036 0.000 2.293 319 I HA -0.022 4.148 4.170 0.000 0.000 0.299 319 I C 0.402 176.573 176.117 0.090 0.000 1.153 319 I CA 0.553 61.885 61.300 0.052 0.000 1.302 319 I CB 0.583 38.603 38.000 0.034 0.000 1.460 319 I HN 0.265 nan 8.210 nan 0.000 0.552 320 Q N 3.692 123.551 119.800 0.097 0.000 2.285 320 Q HA -0.136 4.204 4.340 0.000 0.000 0.191 320 Q C 0.897 176.982 176.000 0.142 0.000 0.860 320 Q CA 0.206 56.085 55.803 0.126 0.000 1.015 320 Q CB -0.392 28.395 28.738 0.080 0.000 1.118 320 Q HN 0.650 nan 8.270 nan 0.000 0.455 321 N N -1.153 117.631 118.700 0.140 0.000 2.236 321 N HA -0.061 4.679 4.740 0.000 0.000 0.196 321 N C -0.829 174.799 175.510 0.197 0.000 1.114 321 N CA -0.025 53.105 53.050 0.134 0.000 0.859 321 N CB 0.335 38.880 38.487 0.097 0.000 0.982 321 N HN 0.180 nan 8.380 nan 0.000 0.493 322 Y N 0.058 120.385 120.300 0.046 0.000 2.406 322 Y HA 0.638 5.188 4.550 0.000 0.000 0.340 322 Y C -1.047 174.887 175.900 0.057 0.000 0.975 322 Y CA -1.197 56.927 58.100 0.040 0.000 1.056 322 Y CB 1.991 40.466 38.460 0.025 0.000 1.210 322 Y HN -0.010 nan 8.280 nan 0.000 0.448 323 S N 4.159 119.693 115.700 -0.277 0.000 2.541 323 S HA 0.878 5.348 4.470 0.000 0.000 0.280 323 S C -2.156 172.271 174.600 -0.288 0.000 1.112 323 S CA -0.498 57.607 58.200 -0.158 0.000 0.925 323 S CB 1.243 64.404 63.200 -0.065 0.000 1.067 323 S HN 0.475 nan 8.310 nan 0.000 0.479 324 V N 4.956 124.807 119.914 -0.106 0.000 2.686 324 V HA 0.543 4.663 4.120 0.000 0.000 0.306 324 V C -0.394 175.716 176.094 0.028 0.000 1.065 324 V CA -0.645 61.607 62.300 -0.080 0.000 0.894 324 V CB 1.868 33.656 31.823 -0.057 0.000 1.004 324 V HN 0.949 nan 8.190 nan 0.000 0.424 325 M N 3.720 123.311 119.600 -0.017 0.000 2.268 325 M HA 0.547 5.027 4.480 0.000 0.000 0.344 325 M C -1.416 174.893 176.300 0.015 0.000 1.106 325 M CA -0.286 54.992 55.300 -0.036 0.000 1.010 325 M CB 1.330 33.849 32.600 -0.135 0.000 1.649 325 M HN 0.617 nan 8.290 nan 0.000 0.443 326 D N 5.020 125.425 120.400 0.007 0.000 2.248 326 D HA 0.527 5.167 4.640 0.000 0.000 0.246 326 D C -1.038 175.232 176.300 -0.049 0.000 1.027 326 D CA -0.103 53.901 54.000 0.006 0.000 0.853 326 D CB 2.025 42.851 40.800 0.043 0.000 1.243 326 D HN 0.615 nan 8.370 nan 0.000 0.462 327 I N 2.497 123.062 120.570 -0.008 0.000 2.420 327 I HA 0.242 4.412 4.170 0.000 0.000 0.282 327 I C -0.566 175.551 176.117 0.000 0.000 1.019 327 I CA -0.563 60.728 61.300 -0.016 0.000 1.130 327 I CB 1.127 39.180 38.000 0.088 0.000 1.262 327 I HN 0.152 nan 8.210 nan 0.000 0.454 328 c N 3.670 122.257 118.600 -0.021 0.000 2.355 328 c HA 0.541 5.111 4.570 0.000 0.000 0.332 328 c C -0.076 174.165 174.090 0.251 0.000 1.255 328 c CA -0.714 55.675 56.329 0.101 0.000 1.792 328 c CB 0.789 43.363 42.510 0.107 0.000 2.300 328 c HN 0.586 nan 8.230 nan 0.000 0.515 329 D N 0.124 120.648 120.400 0.207 0.000 2.198 329 D HA 0.329 4.969 4.640 0.000 0.000 0.247 329 D C -0.609 175.605 176.300 -0.144 0.000 1.010 329 D CA -0.249 53.822 54.000 0.119 0.000 0.880 329 D CB 0.688 41.507 40.800 0.032 0.000 1.209 329 D HN 0.579 nan 8.370 nan 0.000 0.451 330 Y N 1.573 121.426 120.300 -0.745 0.000 2.465 330 Y HA 0.185 4.735 4.550 0.000 0.000 0.331 330 Y C -0.155 175.421 175.900 -0.539 0.000 1.102 330 Y CA -0.470 56.855 58.100 -1.292 0.000 1.358 330 Y CB 0.601 38.269 38.460 -1.321 0.000 1.213 330 Y HN 0.200 nan 8.280 nan 0.000 0.525 331 D N 5.496 125.326 120.400 -0.950 0.000 2.499 331 D HA 0.052 4.692 4.640 0.000 0.000 0.225 331 D C 0.983 176.755 176.300 -0.879 0.000 1.124 331 D CA -0.075 53.526 54.000 -0.664 0.000 0.938 331 D CB 0.245 40.825 40.800 -0.367 0.000 1.014 331 D HN 0.858 nan 8.370 nan 0.000 0.517 332 E N 1.838 121.527 120.200 -0.852 0.000 2.301 332 E HA -0.271 4.079 4.350 0.000 0.000 0.202 332 E C 1.147 177.578 176.600 -0.282 0.000 1.017 332 E CA 1.160 57.227 56.400 -0.555 0.000 0.831 332 E CB 0.308 29.896 29.700 -0.186 0.000 0.742 332 E HN 0.366 nan 8.360 nan 0.000 0.491 333 S N -1.114 114.439 115.700 -0.246 0.000 2.387 333 S HA -0.040 4.430 4.470 0.000 0.000 0.221 333 S C 1.900 176.428 174.600 -0.121 0.000 1.041 333 S CA 1.135 59.253 58.200 -0.137 0.000 0.959 333 S CB -0.030 63.106 63.200 -0.107 0.000 0.843 333 S HN 0.248 nan 8.310 nan 0.000 0.488 334 S N -0.788 114.815 115.700 -0.161 0.000 2.528 334 S HA 0.287 4.757 4.470 0.000 0.000 0.219 334 S C 1.439 175.988 174.600 -0.085 0.000 0.985 334 S CA 1.192 59.330 58.200 -0.104 0.000 0.914 334 S CB -0.535 62.608 63.200 -0.096 0.000 0.776 334 S HN 1.127 nan 8.310 nan 0.000 0.526 335 G N 1.435 110.129 108.800 -0.177 0.000 2.220 335 G HA2 -0.255 3.705 3.960 0.000 0.000 0.269 335 G HA3 -0.255 3.705 3.960 0.000 0.000 0.269 335 G C 0.347 175.285 174.900 0.064 0.000 0.977 335 G CA 0.586 45.678 45.100 -0.013 0.000 0.634 335 G HN 0.489 nan 8.290 nan 0.000 0.539 336 R N -1.134 119.335 120.500 -0.052 0.000 2.531 336 R HA 0.587 4.927 4.340 0.000 0.000 0.260 336 R C -0.611 175.650 176.300 -0.065 0.000 1.144 336 R CA -0.683 55.452 56.100 0.058 0.000 1.171 336 R CB 0.212 30.543 30.300 0.051 0.000 1.199 336 R HN 0.219 nan 8.270 nan 0.000 0.594 337 W N 0.532 121.852 121.300 0.034 0.000 2.424 337 W HA 0.345 5.005 4.660 -0.000 0.000 0.318 337 W C -0.540 175.964 176.519 -0.024 0.000 1.016 337 W CA -0.441 56.911 57.345 0.012 0.000 1.268 337 W CB 0.855 30.316 29.460 0.002 0.000 1.297 337 W HN 0.380 nan 8.180 nan 0.000 0.428 338 N N 2.114 120.886 118.700 0.120 0.000 2.430 338 N HA 0.517 5.257 4.740 0.000 0.000 0.292 338 N C -1.275 174.275 175.510 0.068 0.000 1.051 338 N CA -0.426 52.661 53.050 0.062 0.000 0.917 338 N CB 1.009 39.496 38.487 -0.000 0.000 1.164 338 N HN 0.176 nan 8.380 nan 0.000 0.484 339 c N 2.804 121.427 118.600 0.038 0.000 2.301 339 c HA 0.376 4.946 4.570 0.000 0.000 0.313 339 c C 0.338 174.427 174.090 -0.002 0.000 1.121 339 c CA -1.177 55.165 56.329 0.021 0.000 1.507 339 c CB -1.271 41.242 42.510 0.005 0.000 1.975 339 c HN 0.607 nan 8.230 nan 0.000 0.425 340 L N 2.359 123.583 121.223 0.002 0.000 2.540 340 L HA 0.013 4.353 4.340 0.000 0.000 0.276 340 L C 1.687 178.541 176.870 -0.026 0.000 1.212 340 L CA 0.290 55.123 54.840 -0.011 0.000 0.893 340 L CB 0.509 42.566 42.059 -0.003 0.000 1.138 340 L HN 0.656 nan 8.230 nan 0.000 0.491 341 V N 4.236 124.127 119.914 -0.038 0.000 2.594 341 V HA -0.242 3.878 4.120 0.000 0.000 0.253 341 V C 2.242 178.293 176.094 -0.072 0.000 1.069 341 V CA 2.106 64.374 62.300 -0.055 0.000 1.082 341 V CB -0.018 31.774 31.823 -0.051 0.000 0.680 341 V HN 0.990 nan 8.190 nan 0.000 0.469 342 A N -0.105 122.680 122.820 -0.059 0.000 2.121 342 A HA -0.091 4.229 4.320 0.000 0.000 0.218 342 A C 2.177 179.702 177.584 -0.098 0.000 1.154 342 A CA 1.389 53.383 52.037 -0.070 0.000 0.679 342 A CB -0.440 18.536 19.000 -0.040 0.000 0.795 342 A HN 0.635 nan 8.150 nan 0.000 0.458 343 R N -0.771 119.688 120.500 -0.069 0.000 2.393 343 R HA 0.126 4.466 4.340 0.000 0.000 0.244 343 R C 0.488 176.737 176.300 -0.086 0.000 0.920 343 R CA -0.113 55.973 56.100 -0.024 0.000 1.076 343 R CB 0.199 30.542 30.300 0.073 0.000 1.119 343 R HN 0.638 nan 8.270 nan 0.000 0.524 344 Q N 0.968 120.654 119.800 -0.190 0.000 2.274 344 Q HA 0.102 4.442 4.340 0.000 0.000 0.256 344 Q C -1.235 174.568 176.000 -0.328 0.000 0.927 344 Q CA -0.396 55.316 55.803 -0.152 0.000 0.939 344 Q CB 0.707 29.387 28.738 -0.097 0.000 1.201 344 Q HN 0.226 nan 8.270 nan 0.000 0.426 345 H N 3.330 122.369 119.070 -0.052 0.000 2.551 345 H HA 0.356 4.912 4.556 0.000 0.000 0.321 345 H C -0.864 174.398 175.328 -0.110 0.000 1.028 345 H CA -0.541 55.468 56.048 -0.066 0.000 1.215 345 H CB 0.849 30.539 29.762 -0.120 0.000 1.414 345 H HN 0.537 nan 8.280 nan 0.000 0.480 346 I N 2.279 122.832 120.570 -0.029 0.000 2.428 346 I HA 0.149 4.319 4.170 0.000 0.000 0.289 346 I C 0.247 176.301 176.117 -0.104 0.000 1.019 346 I CA -0.009 61.199 61.300 -0.152 0.000 1.351 346 I CB 0.956 38.862 38.000 -0.157 0.000 1.412 346 I HN 0.638 nan 8.210 nan 0.000 0.513 347 E N 7.853 127.942 120.200 -0.186 0.000 2.283 347 E HA 0.497 4.847 4.350 0.000 0.000 0.258 347 E C -1.205 175.329 176.600 -0.111 0.000 0.893 347 E CA -0.609 55.741 56.400 -0.084 0.000 0.798 347 E CB 1.059 30.733 29.700 -0.043 0.000 1.242 347 E HN 0.641 nan 8.360 nan 0.000 0.414 348 M N 1.324 120.904 119.600 -0.033 0.000 2.819 348 M HA 0.692 5.172 4.480 0.000 0.000 0.300 348 M C -1.020 175.305 176.300 0.042 0.000 1.237 348 M CA -0.884 54.437 55.300 0.033 0.000 0.813 348 M CB 2.121 34.811 32.600 0.150 0.000 1.755 348 M HN 0.270 nan 8.290 nan 0.000 0.484 349 S N -0.495 115.237 115.700 0.053 0.000 2.575 349 S HA 0.488 4.958 4.470 0.000 0.000 0.278 349 S C 0.202 174.817 174.600 0.025 0.000 1.139 349 S CA 0.031 58.245 58.200 0.022 0.000 0.954 349 S CB 1.724 64.912 63.200 -0.021 0.000 1.054 349 S HN 0.912 nan 8.310 nan 0.000 0.483 350 T N -0.061 114.506 114.554 0.021 0.000 3.044 350 T HA 0.036 4.386 4.350 0.000 0.000 0.255 350 T C 1.523 176.228 174.700 0.008 0.000 1.073 350 T CA 1.123 63.235 62.100 0.020 0.000 1.125 350 T CB -0.521 68.359 68.868 0.021 0.000 0.908 350 T HN 0.691 nan 8.240 nan 0.000 0.480 351 T N -1.985 112.576 114.554 0.012 0.000 3.040 351 T HA 0.616 4.966 4.350 0.000 0.000 0.250 351 T C 1.059 175.679 174.700 -0.132 0.000 1.058 351 T CA 0.276 62.388 62.100 0.020 0.000 0.988 351 T CB 0.389 69.320 68.868 0.104 0.000 0.993 351 T HN 0.638 nan 8.240 nan 0.000 0.519 352 G N 0.483 109.082 108.800 -0.334 0.000 2.696 352 G HA2 0.491 4.451 3.960 0.000 0.000 0.151 352 G HA3 0.491 4.451 3.960 0.000 0.000 0.151 352 G C -1.707 173.027 174.900 -0.277 0.000 1.197 352 G CA -0.611 44.083 45.100 -0.677 0.000 1.053 352 G HN 0.504 nan 8.290 nan 0.000 0.546 353 W N -0.098 120.966 121.300 -0.393 0.000 2.481 353 W HA 0.770 5.430 4.660 0.000 0.000 0.369 353 W C -0.438 176.044 176.519 -0.061 0.000 1.235 353 W CA -1.361 55.879 57.345 -0.176 0.000 1.344 353 W CB 0.955 30.289 29.460 -0.210 0.000 1.360 353 W HN 0.276 nan 8.180 nan 0.000 0.658 354 V N 3.317 123.306 119.914 0.125 0.000 2.461 354 V HA 0.634 4.754 4.120 0.000 0.000 0.275 354 V C 0.856 177.002 176.094 0.088 0.000 1.047 354 V CA 0.549 62.874 62.300 0.042 0.000 0.955 354 V CB -0.127 31.731 31.823 0.057 0.000 0.988 354 V HN 1.281 nan 8.190 nan 0.000 0.471 355 G N 5.203 114.000 108.800 -0.005 0.000 2.829 355 G HA2 -0.206 3.754 3.960 0.000 0.000 0.628 355 G HA3 -0.206 3.754 3.960 0.000 0.000 0.628 355 G C 0.348 175.280 174.900 0.054 0.000 1.412 355 G CA 0.264 45.386 45.100 0.038 0.000 0.864 355 G HN 0.659 nan 8.290 nan 0.000 0.544 356 R N -0.874 119.656 120.500 0.050 0.000 2.062 356 R HA 0.129 4.469 4.340 0.000 0.000 0.231 356 R C 1.994 178.238 176.300 -0.094 0.000 1.136 356 R CA 2.186 58.248 56.100 -0.063 0.000 0.948 356 R CB -0.116 30.111 30.300 -0.122 0.000 0.845 356 R HN 0.462 nan 8.270 nan 0.000 0.430 357 F N -0.876 119.242 119.950 0.279 0.000 2.784 357 F HA 0.283 4.810 4.527 0.000 0.000 0.323 357 F C 0.247 176.098 175.800 0.084 0.000 1.085 357 F CA -0.409 57.696 58.000 0.175 0.000 1.196 357 F CB 0.745 39.830 39.000 0.141 0.000 1.053 357 F HN -0.094 nan 8.300 nan 0.000 0.578 358 R N -1.630 119.017 120.500 0.245 0.000 2.765 358 R HA 0.370 4.710 4.340 0.000 0.000 0.277 358 R C -3.342 173.018 176.300 0.100 0.000 1.028 358 R CA -1.862 54.313 56.100 0.124 0.000 0.860 358 R CB -0.048 30.279 30.300 0.044 0.000 1.270 358 R HN -0.368 nan 8.270 nan 0.000 0.484 359 P HA -0.061 nan 4.420 nan 0.000 0.263 359 P C -0.283 177.033 177.300 0.028 0.000 1.175 359 P CA 0.266 63.380 63.100 0.023 0.000 0.761 359 P CB 0.733 32.421 31.700 -0.019 0.000 0.794 360 S N 1.849 117.571 115.700 0.037 0.000 2.568 360 S HA -0.018 4.452 4.470 0.000 0.000 0.282 360 S C 0.112 174.723 174.600 0.018 0.000 1.338 360 S CA -0.443 57.794 58.200 0.062 0.000 1.045 360 S CB -0.005 63.246 63.200 0.085 0.000 0.873 360 S HN 0.488 nan 8.310 nan 0.000 0.516 361 E N 4.190 124.420 120.200 0.051 0.000 2.331 361 E HA 0.375 4.725 4.350 0.000 0.000 0.272 361 E C -2.404 174.158 176.600 -0.064 0.000 1.036 361 E CA -2.108 54.273 56.400 -0.032 0.000 0.864 361 E CB 0.806 30.501 29.700 -0.008 0.000 1.035 361 E HN 0.405 nan 8.360 nan 0.000 0.408 362 P HA 0.195 nan 4.420 nan 0.000 0.286 362 P C -1.225 175.898 177.300 -0.294 0.000 1.261 362 P CA -0.369 62.556 63.100 -0.291 0.000 0.821 362 P CB 0.924 32.172 31.700 -0.753 0.000 1.013 363 H N 2.439 121.523 119.070 0.024 0.000 2.866 363 H HA 0.275 4.831 4.556 0.000 0.000 0.287 363 H C -0.198 175.271 175.328 0.235 0.000 1.106 363 H CA -0.368 55.790 56.048 0.184 0.000 1.396 363 H CB 0.089 29.988 29.762 0.229 0.000 1.469 363 H HN 0.303 nan 8.280 nan 0.000 0.500 364 F N 1.985 122.115 119.950 0.301 0.000 2.459 364 F HA 0.024 4.551 4.527 0.000 0.000 0.346 364 F C 1.639 177.634 175.800 0.324 0.000 1.128 364 F CA -0.245 57.944 58.000 0.316 0.000 1.268 364 F CB 0.784 39.901 39.000 0.194 0.000 1.161 364 F HN 0.312 nan 8.300 nan 0.000 0.583 365 T N 1.548 116.405 114.554 0.504 0.000 2.899 365 T HA 0.104 4.454 4.350 0.000 0.000 0.295 365 T C 1.320 176.216 174.700 0.326 0.000 1.033 365 T CA -0.963 61.374 62.100 0.395 0.000 1.084 365 T CB 0.935 70.025 68.868 0.371 0.000 0.979 365 T HN 0.529 nan 8.240 nan 0.000 0.532 366 L N 1.656 123.027 121.223 0.247 0.000 2.113 366 L HA -0.187 4.153 4.340 0.000 0.000 0.221 366 L C 2.154 179.135 176.870 0.184 0.000 1.084 366 L CA 2.655 57.613 54.840 0.196 0.000 0.787 366 L CB -1.325 40.824 42.059 0.151 0.000 0.893 366 L HN 1.005 nan 8.230 nan 0.000 0.440 367 D N -1.664 118.847 120.400 0.186 0.000 2.349 367 D HA 0.005 4.645 4.640 0.000 0.000 0.224 367 D C 1.482 177.890 176.300 0.180 0.000 1.029 367 D CA 0.862 54.959 54.000 0.162 0.000 0.879 367 D CB -0.400 40.485 40.800 0.142 0.000 0.906 367 D HN 0.412 nan 8.370 nan 0.000 0.528 368 G N 0.981 109.925 108.800 0.240 0.000 2.187 368 G HA2 -0.345 3.615 3.960 0.000 0.000 0.261 368 G HA3 -0.345 3.615 3.960 0.000 0.000 0.261 368 G C 0.849 175.940 174.900 0.317 0.000 1.000 368 G CA 0.460 45.719 45.100 0.264 0.000 0.718 368 G HN 0.410 nan 8.290 nan 0.000 0.519 369 N N -0.145 118.723 118.700 0.279 0.000 2.299 369 N HA 0.169 4.909 4.740 0.000 0.000 0.187 369 N C 0.908 176.534 175.510 0.194 0.000 1.099 369 N CA 1.057 54.241 53.050 0.222 0.000 0.867 369 N CB 0.588 39.162 38.487 0.145 0.000 0.974 369 N HN 0.851 nan 8.380 nan 0.000 0.477 370 S N -0.232 115.604 115.700 0.228 0.000 2.607 370 S HA 0.778 5.248 4.470 0.000 0.000 0.273 370 S C -0.923 173.711 174.600 0.056 0.000 1.148 370 S CA -0.911 57.268 58.200 -0.035 0.000 0.833 370 S CB 1.897 64.999 63.200 -0.163 0.000 1.130 370 S HN 0.120 nan 8.310 nan 0.000 0.470 371 F N -1.865 117.874 119.950 -0.353 0.000 2.686 371 F HA 0.817 5.344 4.527 0.000 0.000 0.311 371 F C -2.261 173.337 175.800 -0.336 0.000 1.128 371 F CA -1.581 56.177 58.000 -0.403 0.000 0.946 371 F CB 0.602 38.945 39.000 -1.094 0.000 1.336 371 F HN 0.590 nan 8.300 nan 0.000 0.457 372 Y N 1.199 121.677 120.300 0.297 0.000 2.377 372 Y HA 0.674 5.224 4.550 0.000 0.000 0.339 372 Y C -0.287 175.814 175.900 0.335 0.000 1.011 372 Y CA -0.832 57.428 58.100 0.266 0.000 1.093 372 Y CB 2.158 40.722 38.460 0.174 0.000 1.201 372 Y HN 0.734 nan 8.280 nan 0.000 0.455 373 K N 3.311 123.965 120.400 0.423 0.000 2.525 373 K HA 0.532 4.852 4.320 0.000 0.000 0.254 373 K C -1.651 175.099 176.600 0.250 0.000 0.934 373 K CA -0.514 55.972 56.287 0.333 0.000 0.802 373 K CB 1.475 34.147 32.500 0.286 0.000 1.295 373 K HN 0.723 nan 8.250 nan 0.000 0.433 374 I N 6.611 127.296 120.570 0.192 0.000 2.471 374 I HA 0.247 4.417 4.170 0.000 0.000 0.286 374 I C 0.226 176.426 176.117 0.138 0.000 1.079 374 I CA -0.273 61.111 61.300 0.139 0.000 1.398 374 I CB 0.308 38.367 38.000 0.098 0.000 1.403 374 I HN 0.534 nan 8.210 nan 0.000 0.530 375 I N 2.692 123.367 120.570 0.174 0.000 2.994 375 I HA 0.487 4.657 4.170 0.000 0.000 0.306 375 I C -0.224 175.995 176.117 0.171 0.000 1.195 375 I CA -0.786 60.611 61.300 0.161 0.000 1.001 375 I CB 2.359 40.475 38.000 0.192 0.000 1.244 375 I HN 0.494 nan 8.210 nan 0.000 0.437 376 S N 3.470 119.206 115.700 0.061 0.000 2.499 376 S HA 0.280 4.750 4.470 0.000 0.000 0.275 376 S C 0.051 174.666 174.600 0.026 0.000 1.257 376 S CA -0.680 57.500 58.200 -0.034 0.000 1.050 376 S CB -0.062 63.043 63.200 -0.158 0.000 0.937 376 S HN 0.888 nan 8.310 nan 0.000 0.490 377 N N 3.094 121.711 118.700 -0.138 0.000 2.294 377 N HA 0.076 4.816 4.740 0.000 0.000 0.275 377 N C 0.422 175.852 175.510 -0.135 0.000 1.291 377 N CA -0.725 52.141 53.050 -0.307 0.000 0.933 377 N CB 0.235 38.191 38.487 -0.884 0.000 1.096 377 N HN 0.615 nan 8.380 nan 0.000 0.525 378 E N -0.197 119.924 120.200 -0.132 0.000 2.268 378 E HA -0.120 4.230 4.350 0.000 0.000 0.195 378 E C 0.769 177.323 176.600 -0.076 0.000 0.995 378 E CA 0.819 57.176 56.400 -0.071 0.000 0.836 378 E CB -0.146 29.521 29.700 -0.055 0.000 0.763 378 E HN 0.564 nan 8.360 nan 0.000 0.491 379 E N -0.086 120.065 120.200 -0.081 0.000 2.437 379 E HA 0.042 4.392 4.350 0.000 0.000 0.189 379 E C 0.727 177.315 176.600 -0.021 0.000 1.054 379 E CA 0.212 56.613 56.400 0.002 0.000 0.874 379 E CB 0.163 29.903 29.700 0.067 0.000 1.011 379 E HN 0.336 nan 8.360 nan 0.000 0.474 380 G N 0.927 109.642 108.800 -0.142 0.000 2.155 380 G HA2 -0.311 3.649 3.960 0.000 0.000 0.257 380 G HA3 -0.311 3.649 3.960 0.000 0.000 0.257 380 G C -0.108 174.509 174.900 -0.472 0.000 0.983 380 G CA 0.503 45.416 45.100 -0.311 0.000 0.676 380 G HN 0.262 nan 8.290 nan 0.000 0.528 381 Y N -0.104 120.049 120.300 -0.245 0.000 2.361 381 Y HA 0.631 5.181 4.550 0.000 0.000 0.332 381 Y C 1.176 176.885 175.900 -0.318 0.000 1.101 381 Y CA -0.850 57.082 58.100 -0.279 0.000 1.137 381 Y CB 1.044 39.356 38.460 -0.247 0.000 1.207 381 Y HN 0.077 nan 8.280 nan 0.000 0.463 382 R N 3.487 123.810 120.500 -0.295 0.000 2.216 382 R HA 0.292 4.632 4.340 0.000 0.000 0.332 382 R C -0.884 175.067 176.300 -0.581 0.000 1.056 382 R CA -0.118 55.807 56.100 -0.293 0.000 0.901 382 R CB 0.135 30.316 30.300 -0.199 0.000 1.039 382 R HN 0.652 nan 8.270 nan 0.000 0.456 383 H N 1.906 120.902 119.070 -0.123 0.000 2.946 383 H HA 0.338 4.894 4.556 0.000 0.000 0.365 383 H C -0.153 175.217 175.328 0.071 0.000 1.197 383 H CA -0.893 55.062 56.048 -0.154 0.000 1.131 383 H CB 1.662 31.217 29.762 -0.345 0.000 1.849 383 H HN 0.332 nan 8.280 nan 0.000 0.555 384 I N 2.362 123.000 120.570 0.112 0.000 2.416 384 I HA 0.092 4.262 4.170 0.000 0.000 0.288 384 I C 0.717 176.889 176.117 0.092 0.000 1.051 384 I CA -0.191 61.158 61.300 0.082 0.000 1.375 384 I CB 0.136 38.104 38.000 -0.054 0.000 1.407 384 I HN 0.392 nan 8.210 nan 0.000 0.516 385 c N 5.486 124.060 118.600 -0.043 0.000 2.563 385 c HA 0.503 5.073 4.570 0.000 0.000 0.314 385 c C -0.399 173.491 174.090 -0.333 0.000 1.199 385 c CA -1.039 55.050 56.329 -0.400 0.000 1.564 385 c CB 1.090 42.869 42.510 -1.218 0.000 2.173 385 c HN 0.717 nan 8.230 nan 0.000 0.485 386 Y N 2.713 122.665 120.300 -0.579 0.000 2.365 386 Y HA 0.643 5.193 4.550 0.000 0.000 0.340 386 Y C -0.900 174.510 175.900 -0.817 0.000 1.016 386 Y CA -0.915 56.765 58.100 -0.699 0.000 1.196 386 Y CB 0.199 38.355 38.460 -0.507 0.000 1.167 386 Y HN 0.729 nan 8.280 nan 0.000 0.509 387 F N 3.692 122.888 119.950 -1.257 0.000 2.492 387 F HA 0.493 5.020 4.527 0.000 0.000 0.327 387 F C -0.245 174.746 175.800 -1.349 0.000 1.079 387 F CA -0.756 56.433 58.000 -1.352 0.000 0.967 387 F CB 1.773 39.537 39.000 -2.061 0.000 1.169 387 F HN 0.320 nan 8.300 nan 0.000 0.472 388 Q N 2.692 122.129 119.800 -0.606 0.000 2.331 388 Q HA 0.356 4.696 4.340 0.000 0.000 0.267 388 Q C 1.216 177.171 176.000 -0.074 0.000 1.006 388 Q CA -0.476 55.104 55.803 -0.372 0.000 0.818 388 Q CB 2.076 30.652 28.738 -0.269 0.000 1.276 388 Q HN 0.784 nan 8.270 nan 0.000 0.450 389 I N -0.022 120.590 120.570 0.070 0.000 2.479 389 I HA -0.249 3.921 4.170 0.000 0.000 0.258 389 I C 0.633 176.927 176.117 0.296 0.000 1.165 389 I CA 1.620 63.116 61.300 0.327 0.000 1.422 389 I CB -0.080 38.127 38.000 0.344 0.000 1.087 389 I HN 0.584 nan 8.210 nan 0.000 0.441 390 D N 1.080 121.564 120.400 0.140 0.000 2.501 390 D HA 0.139 4.779 4.640 0.000 0.000 0.224 390 D C 0.202 176.515 176.300 0.021 0.000 1.202 390 D CA -0.339 53.697 54.000 0.060 0.000 0.829 390 D CB 0.333 41.154 40.800 0.035 0.000 1.023 390 D HN 0.440 nan 8.370 nan 0.000 0.499 391 K N 0.861 121.299 120.400 0.063 0.000 2.426 391 K HA 0.216 4.536 4.320 0.000 0.000 0.254 391 K C 0.619 177.268 176.600 0.082 0.000 0.936 391 K CA -0.652 55.646 56.287 0.018 0.000 0.801 391 K CB 1.707 34.185 32.500 -0.037 0.000 1.139 391 K HN -0.395 nan 8.250 nan 0.000 0.424 392 K N 1.157 121.569 120.400 0.019 0.000 2.217 392 K HA 0.022 4.342 4.320 0.000 0.000 0.202 392 K C -0.265 176.379 176.600 0.073 0.000 1.051 392 K CA 0.945 57.273 56.287 0.068 0.000 0.952 392 K CB 0.083 32.579 32.500 -0.006 0.000 0.736 392 K HN 0.609 nan 8.250 nan 0.000 0.453 393 D N 1.272 121.649 120.400 -0.039 0.000 2.277 393 D HA 0.061 4.701 4.640 0.000 0.000 0.249 393 D C 0.383 176.493 176.300 -0.317 0.000 1.134 393 D CA -0.228 53.690 54.000 -0.137 0.000 0.863 393 D CB 1.181 41.915 40.800 -0.110 0.000 1.143 393 D HN 0.151 nan 8.370 nan 0.000 0.458 394 c N 0.909 119.157 118.600 -0.587 0.000 2.325 394 c HA 0.752 5.322 4.570 0.000 0.000 0.370 394 c C 0.338 174.020 174.090 -0.681 0.000 1.217 394 c CA -0.527 55.206 56.329 -0.993 0.000 2.254 394 c CB 0.997 42.253 42.510 -2.090 0.000 2.282 394 c HN 0.475 nan 8.230 nan 0.000 0.564 395 T N 2.393 116.593 114.554 -0.592 0.000 2.791 395 T HA 0.459 4.809 4.350 0.000 0.000 0.288 395 T C -0.552 173.920 174.700 -0.380 0.000 0.999 395 T CA 0.163 62.064 62.100 -0.332 0.000 0.952 395 T CB 0.164 68.981 68.868 -0.085 0.000 0.938 395 T HN 0.499 nan 8.240 nan 0.000 0.444 396 F N 3.131 122.942 119.950 -0.232 0.000 2.506 396 F HA 0.256 4.783 4.527 0.000 0.000 0.351 396 F C 1.584 177.182 175.800 -0.336 0.000 1.136 396 F CA -0.673 57.176 58.000 -0.251 0.000 1.298 396 F CB 0.480 39.345 39.000 -0.224 0.000 1.145 396 F HN 0.563 nan 8.300 nan 0.000 0.593 397 I N -1.222 119.238 120.570 -0.183 0.000 4.147 397 I HA 0.291 4.461 4.170 0.000 0.000 0.329 397 I C -0.337 175.647 176.117 -0.220 0.000 1.424 397 I CA -0.122 60.903 61.300 -0.459 0.000 1.127 397 I CB 0.099 37.569 38.000 -0.883 0.000 1.128 397 I HN 0.445 nan 8.210 nan 0.000 0.417 398 T N -1.965 112.479 114.554 -0.183 0.000 2.893 398 T HA 0.480 4.830 4.350 0.000 0.000 0.291 398 T C 0.213 174.516 174.700 -0.661 0.000 1.028 398 T CA -0.766 61.201 62.100 -0.222 0.000 0.995 398 T CB 2.677 71.505 68.868 -0.068 0.000 1.051 398 T HN 0.094 nan 8.240 nan 0.000 0.470 399 K N 0.781 120.947 120.400 -0.390 0.000 2.608 399 K HA 0.152 4.472 4.320 0.000 0.000 0.281 399 K C 1.392 177.396 176.600 -0.992 0.000 0.670 399 K CA 1.518 57.553 56.287 -0.420 0.000 0.845 399 K CB -0.725 31.992 32.500 0.362 0.000 0.275 399 K HN 0.814 nan 8.250 nan 0.000 1.060 400 G N -1.196 107.159 108.800 -0.741 0.000 2.673 400 G HA2 0.008 3.968 3.960 0.000 0.000 0.185 400 G HA3 0.008 3.968 3.960 0.000 0.000 0.185 400 G C -0.432 173.946 174.900 -0.870 0.000 1.731 400 G CA -0.321 44.339 45.100 -0.733 0.000 0.788 400 G HN 0.411 nan 8.290 nan 0.000 0.793 401 T N 2.596 116.748 114.554 -0.670 0.000 4.657 401 T HA 0.269 4.619 4.350 0.000 0.000 0.215 401 T C -0.590 174.041 174.700 -0.114 0.000 0.756 401 T CA 0.751 62.438 62.100 -0.688 0.000 1.395 401 T CB -1.549 67.142 68.868 -0.295 0.000 1.396 401 T HN 0.438 nan 8.240 nan 0.000 0.898 402 W N -0.665 120.513 121.300 -0.204 0.000 3.027 402 W HA 0.444 5.104 4.660 0.000 0.000 0.363 402 W C -1.615 174.896 176.519 -0.014 0.000 1.029 402 W CA -0.964 56.374 57.345 -0.011 0.000 1.062 402 W CB 0.572 30.010 29.460 -0.038 0.000 1.483 402 W HN 0.059 nan 8.180 nan 0.000 0.553 403 E N 0.681 121.015 120.200 0.223 0.000 2.367 403 E HA 0.484 4.834 4.350 0.000 0.000 0.273 403 E C -1.222 175.438 176.600 0.100 0.000 0.903 403 E CA -1.180 55.123 56.400 -0.161 0.000 0.764 403 E CB 3.282 32.941 29.700 -0.069 0.000 1.252 403 E HN 0.194 nan 8.360 nan 0.000 0.446 404 V N 3.333 123.167 119.914 -0.134 0.000 2.461 404 V HA 0.034 4.154 4.120 0.000 0.000 0.275 404 V C 1.176 177.326 176.094 0.093 0.000 1.047 404 V CA -0.150 62.184 62.300 0.057 0.000 0.955 404 V CB 0.652 32.394 31.823 -0.134 0.000 0.988 404 V HN 0.693 nan 8.190 nan 0.000 0.471 405 I N 3.038 123.703 120.570 0.157 0.000 2.333 405 I HA 0.229 4.399 4.170 0.000 0.000 0.246 405 I C 1.128 177.344 176.117 0.166 0.000 1.106 405 I CA 1.251 62.640 61.300 0.148 0.000 1.411 405 I CB -0.772 37.265 38.000 0.062 0.000 1.082 405 I HN 0.782 nan 8.210 nan 0.000 0.420 406 G N 0.499 109.400 108.800 0.168 0.000 2.616 406 G HA2 0.466 4.426 3.960 0.000 0.000 0.294 406 G HA3 0.466 4.426 3.960 0.000 0.000 0.294 406 G C -1.187 173.801 174.900 0.146 0.000 1.489 406 G CA -0.627 44.572 45.100 0.164 0.000 0.836 406 G HN -0.045 nan 8.290 nan 0.000 0.527 407 I N 1.775 122.371 120.570 0.044 0.000 2.352 407 I HA 0.200 4.370 4.170 0.000 0.000 0.290 407 I C 0.685 176.763 176.117 -0.063 0.000 1.036 407 I CA -0.516 60.712 61.300 -0.121 0.000 1.336 407 I CB 1.605 39.234 38.000 -0.619 0.000 1.407 407 I HN 0.512 nan 8.210 nan 0.000 0.497 408 E N 5.118 125.347 120.200 0.049 0.000 2.364 408 E HA 0.296 4.646 4.350 0.000 0.000 0.196 408 E C 0.213 176.783 176.600 -0.049 0.000 0.990 408 E CA 0.178 56.646 56.400 0.114 0.000 0.886 408 E CB 0.746 30.607 29.700 0.269 0.000 0.866 408 E HN 0.690 nan 8.360 nan 0.000 0.493 409 A N 0.497 123.200 122.820 -0.195 0.000 2.590 409 A HA 0.577 4.897 4.320 0.000 0.000 0.296 409 A C -1.796 175.699 177.584 -0.149 0.000 1.050 409 A CA -0.627 51.189 52.037 -0.368 0.000 0.697 409 A CB 1.018 19.251 19.000 -1.279 0.000 1.277 409 A HN 0.077 nan 8.150 nan 0.000 0.411 410 L N 2.480 123.657 121.223 -0.078 0.000 2.406 410 L HA 0.741 5.081 4.340 0.000 0.000 0.272 410 L C 0.168 177.059 176.870 0.035 0.000 0.980 410 L CA -0.130 54.711 54.840 0.002 0.000 0.831 410 L CB 2.127 44.229 42.059 0.070 0.000 1.253 410 L HN 1.176 nan 8.230 nan 0.000 0.406 411 T N -1.010 113.585 114.554 0.068 0.000 2.841 411 T HA 0.291 4.641 4.350 0.000 0.000 0.276 411 T C 1.151 175.891 174.700 0.067 0.000 1.003 411 T CA 0.082 62.230 62.100 0.080 0.000 0.995 411 T CB 1.518 70.467 68.868 0.135 0.000 1.260 411 T HN 0.572 nan 8.240 nan 0.000 0.581 412 S N -0.409 115.327 115.700 0.060 0.000 2.428 412 S HA -0.053 4.417 4.470 0.000 0.000 0.230 412 S C 0.829 175.417 174.600 -0.020 0.000 1.014 412 S CA 1.162 59.385 58.200 0.039 0.000 0.957 412 S CB -0.649 62.575 63.200 0.040 0.000 0.784 412 S HN 0.735 nan 8.310 nan 0.000 0.499 413 D N -0.140 120.238 120.400 -0.036 0.000 2.527 413 D HA 0.270 4.910 4.640 0.000 0.000 0.249 413 D C -0.087 175.972 176.300 -0.402 0.000 1.029 413 D CA 0.740 54.610 54.000 -0.217 0.000 0.951 413 D CB 0.041 40.748 40.800 -0.155 0.000 1.093 413 D HN 0.412 nan 8.370 nan 0.000 0.464 414 Y N -0.338 119.910 120.300 -0.087 0.000 2.631 414 Y HA 0.585 5.135 4.550 0.000 0.000 0.328 414 Y C -0.474 175.282 175.900 -0.241 0.000 1.118 414 Y CA -1.204 56.765 58.100 -0.218 0.000 1.206 414 Y CB 1.410 39.611 38.460 -0.432 0.000 1.337 414 Y HN -0.178 nan 8.280 nan 0.000 0.515 415 L N 1.424 122.555 121.223 -0.152 0.000 2.376 415 L HA 0.551 4.891 4.340 0.000 0.000 0.275 415 L C -1.960 174.796 176.870 -0.191 0.000 0.987 415 L CA -0.621 54.112 54.840 -0.179 0.000 0.828 415 L CB 0.796 42.649 42.059 -0.343 0.000 1.249 415 L HN 0.551 nan 8.230 nan 0.000 0.409 416 Y N 4.875 125.098 120.300 -0.129 0.000 2.323 416 Y HA 0.566 5.116 4.550 0.000 0.000 0.331 416 Y C -0.328 175.570 175.900 -0.005 0.000 1.092 416 Y CA -0.306 57.716 58.100 -0.129 0.000 1.150 416 Y CB 1.218 39.535 38.460 -0.237 0.000 1.200 416 Y HN 0.541 nan 8.280 nan 0.000 0.472 417 Y N -0.021 120.335 120.300 0.093 0.000 2.638 417 Y HA 0.792 5.342 4.550 0.000 0.000 0.335 417 Y C -1.840 174.135 175.900 0.125 0.000 1.155 417 Y CA -2.088 56.056 58.100 0.075 0.000 1.046 417 Y CB 0.999 39.477 38.460 0.031 0.000 1.303 417 Y HN 0.427 nan 8.280 nan 0.000 0.460 418 I N 2.938 123.707 120.570 0.331 0.000 2.493 418 I HA 0.705 4.875 4.170 0.000 0.000 0.298 418 I C -0.316 176.009 176.117 0.346 0.000 0.998 418 I CA -0.583 60.853 61.300 0.226 0.000 1.137 418 I CB 2.107 40.177 38.000 0.117 0.000 1.310 418 I HN 0.894 nan 8.210 nan 0.000 0.445 419 S N 2.773 118.636 115.700 0.271 0.000 2.656 419 S HA 0.402 4.872 4.470 0.000 0.000 0.273 419 S C -0.672 173.995 174.600 0.112 0.000 1.168 419 S CA -0.856 57.488 58.200 0.241 0.000 0.817 419 S CB 1.726 65.107 63.200 0.301 0.000 1.146 419 S HN 0.661 nan 8.310 nan 0.000 0.475 420 N N -0.454 118.311 118.700 0.109 0.000 2.328 420 N HA 0.145 4.885 4.740 0.000 0.000 0.247 420 N C 0.532 176.043 175.510 0.002 0.000 1.165 420 N CA -0.164 52.902 53.050 0.027 0.000 0.873 420 N CB 0.267 38.744 38.487 -0.016 0.000 1.125 420 N HN 0.837 nan 8.380 nan 0.000 0.513 421 E N -0.080 120.010 120.200 -0.183 0.000 2.106 421 E HA -0.206 4.144 4.350 0.000 0.000 0.192 421 E C -0.302 176.203 176.600 -0.159 0.000 0.984 421 E CA 0.256 56.356 56.400 -0.500 0.000 0.806 421 E CB -0.119 28.655 29.700 -1.543 0.000 0.750 421 E HN 0.356 nan 8.360 nan 0.000 0.458 422 Y N 1.831 122.063 120.300 -0.113 0.000 2.881 422 Y HA -0.122 4.428 4.550 0.000 0.000 0.335 422 Y C 0.421 176.288 175.900 -0.054 0.000 1.263 422 Y CA 0.789 58.856 58.100 -0.054 0.000 1.572 422 Y CB 0.144 38.590 38.460 -0.023 0.000 1.237 422 Y HN 0.098 nan 8.280 nan 0.000 0.568 423 K N 3.097 123.224 120.400 -0.456 0.000 3.193 423 K HA -0.219 4.101 4.320 0.000 0.000 0.294 423 K C 0.708 177.232 176.600 -0.127 0.000 1.185 423 K CA 1.234 57.305 56.287 -0.360 0.000 0.866 423 K CB -1.653 30.596 32.500 -0.419 0.000 1.227 423 K HN 1.317 nan 8.250 nan 0.000 0.467 424 G N 0.010 108.755 108.800 -0.091 0.000 2.305 424 G HA2 -0.337 3.623 3.960 0.000 0.000 0.287 424 G HA3 -0.337 3.623 3.960 0.000 0.000 0.287 424 G C -0.037 174.835 174.900 -0.047 0.000 1.036 424 G CA 0.709 45.794 45.100 -0.026 0.000 0.887 424 G HN 0.293 nan 8.290 nan 0.000 0.505 425 M N 0.716 120.223 119.600 -0.155 0.000 2.080 425 M HA 0.209 4.689 4.480 0.000 0.000 0.350 425 M C -1.036 174.999 176.300 -0.441 0.000 1.143 425 M CA -2.008 53.036 55.300 -0.427 0.000 1.064 425 M CB 1.640 34.061 32.600 -0.298 0.000 1.429 425 M HN -0.063 nan 8.290 nan 0.000 0.418 426 P HA -0.107 nan 4.420 nan 0.000 0.223 426 P C 0.996 178.119 177.300 -0.295 0.000 1.144 426 P CA 1.237 64.128 63.100 -0.349 0.000 0.783 426 P CB 0.143 31.638 31.700 -0.342 0.000 0.771 427 G N -0.784 107.773 108.800 -0.406 0.000 3.189 427 G HA2 0.311 4.271 3.960 0.000 0.000 0.225 427 G HA3 0.311 4.271 3.960 0.000 0.000 0.225 427 G C 0.660 175.537 174.900 -0.038 0.000 1.159 427 G CA 0.086 45.086 45.100 -0.167 0.000 0.763 427 G HN 0.417 nan 8.290 nan 0.000 0.549 428 G N -0.355 108.371 108.800 -0.123 0.000 2.461 428 G HA2 0.647 4.607 3.960 0.000 0.000 0.329 428 G HA3 0.647 4.607 3.960 0.000 0.000 0.329 428 G C -0.993 173.782 174.900 -0.208 0.000 1.170 428 G CA -0.905 44.157 45.100 -0.063 0.000 0.935 428 G HN 0.207 nan 8.290 nan 0.000 0.492 429 R N 0.266 120.599 120.500 -0.277 0.000 2.564 429 R HA 0.424 4.764 4.340 0.000 0.000 0.284 429 R C -1.101 175.158 176.300 -0.069 0.000 1.031 429 R CA -0.611 55.293 56.100 -0.327 0.000 0.904 429 R CB 1.572 31.364 30.300 -0.845 0.000 1.199 429 R HN 0.586 nan 8.270 nan 0.000 0.443 430 N N 2.366 121.067 118.700 0.001 0.000 2.416 430 N HA 0.333 5.073 4.740 0.000 0.000 0.276 430 N C -1.811 173.632 175.510 -0.111 0.000 1.261 430 N CA -0.754 52.258 53.050 -0.064 0.000 0.790 430 N CB 2.213 40.566 38.487 -0.222 0.000 1.554 430 N HN 0.281 nan 8.380 nan 0.000 0.481 431 L N 2.226 123.243 121.223 -0.343 0.000 2.265 431 L HA 0.468 4.808 4.340 0.000 0.000 0.288 431 L C -1.349 175.210 176.870 -0.518 0.000 1.058 431 L CA 0.030 54.676 54.840 -0.323 0.000 0.809 431 L CB -0.268 41.574 42.059 -0.361 0.000 1.179 431 L HN 0.410 nan 8.230 nan 0.000 0.429 432 Y N 3.697 123.643 120.300 -0.589 0.000 2.621 432 Y HA 0.672 5.222 4.550 0.000 0.000 0.334 432 Y C -0.344 175.144 175.900 -0.686 0.000 1.074 432 Y CA -0.810 56.867 58.100 -0.704 0.000 1.149 432 Y CB 1.582 39.427 38.460 -1.025 0.000 1.302 432 Y HN 0.555 nan 8.280 nan 0.000 0.501 433 K N 1.672 121.852 120.400 -0.366 0.000 2.553 433 K HA 0.615 4.935 4.320 0.000 0.000 0.250 433 K C -2.102 174.419 176.600 -0.133 0.000 0.953 433 K CA -0.595 55.422 56.287 -0.450 0.000 0.800 433 K CB 2.123 34.123 32.500 -0.833 0.000 1.243 433 K HN 0.772 nan 8.250 nan 0.000 0.435 434 I N 2.143 122.731 120.570 0.030 0.000 2.493 434 I HA 0.219 4.389 4.170 0.000 0.000 0.298 434 I C -0.672 175.559 176.117 0.191 0.000 0.998 434 I CA -0.790 60.612 61.300 0.171 0.000 1.137 434 I CB 1.984 40.118 38.000 0.223 0.000 1.310 434 I HN 0.860 nan 8.210 nan 0.000 0.445 435 Q N 5.127 125.017 119.800 0.150 0.000 2.296 435 Q HA 0.122 4.462 4.340 0.000 0.000 0.263 435 Q C 0.347 176.272 176.000 -0.125 0.000 1.026 435 Q CA -0.560 55.150 55.803 -0.155 0.000 0.912 435 Q CB 1.205 29.873 28.738 -0.118 0.000 1.198 435 Q HN 0.752 nan 8.270 nan 0.000 0.407 436 L N 2.852 123.946 121.223 -0.215 0.000 2.187 436 L HA -0.230 4.110 4.340 0.000 0.000 0.213 436 L C 2.214 178.952 176.870 -0.219 0.000 1.100 436 L CA 1.973 56.748 54.840 -0.108 0.000 0.765 436 L CB -0.665 41.315 42.059 -0.133 0.000 0.904 436 L HN 0.703 nan 8.230 nan 0.000 0.437 437 S N -2.899 112.639 115.700 -0.270 0.000 2.501 437 S HA 0.048 4.518 4.470 0.000 0.000 0.220 437 S C 0.588 174.977 174.600 -0.351 0.000 0.997 437 S CA 0.189 58.217 58.200 -0.288 0.000 0.919 437 S CB 0.074 63.150 63.200 -0.207 0.000 0.778 437 S HN 0.381 nan 8.310 nan 0.000 0.523 438 D N -0.054 120.155 120.400 -0.318 0.000 2.328 438 D HA 0.290 4.930 4.640 0.000 0.000 0.243 438 D C -0.301 175.927 176.300 -0.119 0.000 1.324 438 D CA -0.693 53.151 54.000 -0.260 0.000 0.966 438 D CB 0.179 40.896 40.800 -0.137 0.000 1.324 438 D HN -0.035 nan 8.370 nan 0.000 0.549 439 Y N 0.997 121.277 120.300 -0.034 0.000 2.465 439 Y HA -0.123 4.427 4.550 0.000 0.000 0.289 439 Y C 2.569 178.477 175.900 0.012 0.000 1.150 439 Y CA 1.484 59.578 58.100 -0.009 0.000 1.293 439 Y CB -1.094 37.361 38.460 -0.008 0.000 0.977 439 Y HN 0.453 nan 8.280 nan 0.000 0.556 440 T N -2.828 111.798 114.554 0.121 0.000 3.072 440 T HA -0.034 4.316 4.350 0.000 0.000 0.266 440 T C 0.645 175.391 174.700 0.076 0.000 1.127 440 T CA 0.337 62.487 62.100 0.084 0.000 1.107 440 T CB -0.105 68.787 68.868 0.041 0.000 0.910 440 T HN -0.119 nan 8.240 nan 0.000 0.513 441 K N 2.470 122.917 120.400 0.078 0.000 2.257 441 K HA 0.550 4.870 4.320 0.000 0.000 0.270 441 K C -1.090 175.579 176.600 0.114 0.000 1.098 441 K CA -0.415 55.920 56.287 0.079 0.000 0.943 441 K CB 1.243 33.781 32.500 0.063 0.000 1.316 441 K HN 0.173 nan 8.250 nan 0.000 0.447 442 V N 2.345 122.322 119.914 0.104 0.000 2.540 442 V HA 0.456 4.576 4.120 0.000 0.000 0.302 442 V C -0.117 176.017 176.094 0.068 0.000 1.035 442 V CA -0.769 61.602 62.300 0.118 0.000 0.873 442 V CB 2.054 33.975 31.823 0.163 0.000 0.992 442 V HN 0.665 nan 8.190 nan 0.000 0.428 443 T N 1.634 116.189 114.554 0.002 0.000 2.887 443 T HA 0.403 4.753 4.350 0.000 0.000 0.288 443 T C -0.617 173.952 174.700 -0.219 0.000 1.021 443 T CA -0.502 61.540 62.100 -0.097 0.000 1.000 443 T CB 1.725 70.494 68.868 -0.164 0.000 1.034 443 T HN 0.740 nan 8.240 nan 0.000 0.467 444 C N 4.521 123.597 119.300 -0.373 0.000 2.255 444 C HA 0.462 4.922 4.460 0.000 0.000 0.326 444 C C 1.284 175.930 174.990 -0.573 0.000 1.258 444 C CA -0.842 57.705 59.018 -0.784 0.000 1.676 444 C CB -1.556 25.587 27.740 -0.995 0.000 2.314 444 C HN 0.850 nan 8.230 nan 0.000 0.509 445 L N 5.118 126.006 121.223 -0.558 0.000 2.492 445 L HA 0.091 4.431 4.340 0.000 0.000 0.223 445 L C 2.202 178.759 176.870 -0.522 0.000 1.132 445 L CA 1.283 55.861 54.840 -0.435 0.000 0.850 445 L CB -1.330 40.522 42.059 -0.345 0.000 0.966 445 L HN 0.909 nan 8.230 nan 0.000 0.454 446 S N -3.110 112.184 115.700 -0.676 0.000 2.575 446 S HA -0.035 4.435 4.470 0.000 0.000 0.230 446 S C 2.065 176.312 174.600 -0.587 0.000 1.062 446 S CA 0.204 57.917 58.200 -0.812 0.000 0.913 446 S CB -0.454 61.920 63.200 -1.377 0.000 0.837 446 S HN 0.283 nan 8.310 nan 0.000 0.487 447 C N 2.144 121.046 119.300 -0.663 0.000 2.375 447 C HA -0.082 4.378 4.460 0.000 0.000 0.274 447 C C 2.493 177.194 174.990 -0.481 0.000 1.190 447 C CA 1.648 60.184 59.018 -0.802 0.000 1.775 447 C CB -1.157 25.851 27.740 -1.220 0.000 2.067 447 C HN 0.603 nan 8.230 nan 0.000 0.463 448 E N -0.185 119.815 120.200 -0.333 0.000 2.481 448 E HA 0.196 4.546 4.350 0.000 0.000 0.198 448 E C 1.871 178.419 176.600 -0.087 0.000 1.027 448 E CA -0.077 56.229 56.400 -0.157 0.000 0.900 448 E CB -0.228 29.394 29.700 -0.131 0.000 0.993 448 E HN 0.560 nan 8.360 nan 0.000 0.482 449 L N 0.225 121.392 121.223 -0.094 0.000 2.042 449 L HA -0.108 4.232 4.340 0.000 0.000 0.210 449 L C 0.926 177.811 176.870 0.024 0.000 1.076 449 L CA 1.009 55.834 54.840 -0.024 0.000 0.749 449 L CB -0.078 41.980 42.059 -0.002 0.000 0.893 449 L HN 0.131 nan 8.230 nan 0.000 0.432 450 N N -1.528 117.203 118.700 0.052 0.000 3.111 450 N HA 0.066 4.806 4.740 0.000 0.000 0.200 450 N C -2.082 173.460 175.510 0.054 0.000 1.464 450 N CA -0.796 52.281 53.050 0.044 0.000 0.758 450 N CB 0.702 39.212 38.487 0.038 0.000 1.548 450 N HN -0.188 nan 8.380 nan 0.000 0.595 451 P HA -0.194 nan 4.420 nan 0.000 0.217 451 P C 0.969 178.319 177.300 0.084 0.000 1.148 451 P CA 1.129 64.292 63.100 0.105 0.000 0.834 451 P CB 0.674 32.451 31.700 0.130 0.000 0.783 452 E N 0.335 120.564 120.200 0.048 0.000 2.051 452 E HA -0.136 4.214 4.350 0.000 0.000 0.189 452 E C 2.254 178.858 176.600 0.007 0.000 0.979 452 E CA 0.796 57.213 56.400 0.029 0.000 0.803 452 E CB -0.225 29.485 29.700 0.016 0.000 0.761 452 E HN 0.153 nan 8.360 nan 0.000 0.451 453 R N -0.856 119.638 120.500 -0.010 0.000 2.210 453 R HA 0.081 4.421 4.340 0.000 0.000 0.203 453 R C -0.142 176.112 176.300 -0.076 0.000 1.010 453 R CA 0.491 56.562 56.100 -0.048 0.000 1.008 453 R CB 0.267 30.532 30.300 -0.059 0.000 0.923 453 R HN 0.057 nan 8.270 nan 0.000 0.469 454 c N 0.694 119.258 118.600 -0.060 0.000 2.381 454 c HA 0.405 4.975 4.570 0.000 0.000 0.328 454 c C -0.021 174.020 174.090 -0.081 0.000 1.190 454 c CA -0.710 55.516 56.329 -0.172 0.000 1.369 454 c CB 1.556 43.905 42.510 -0.268 0.000 2.029 454 c HN 0.503 nan 8.230 nan 0.000 0.448 455 Q N 0.448 120.196 119.800 -0.086 0.000 2.073 455 Q HA 0.194 4.534 4.340 0.000 0.000 0.215 455 Q C -1.034 174.996 176.000 0.049 0.000 0.776 455 Q CA 0.077 55.911 55.803 0.052 0.000 1.008 455 Q CB 1.423 30.221 28.738 0.099 0.000 1.196 455 Q HN 0.789 nan 8.270 nan 0.000 0.458 456 Y N 0.359 120.521 120.300 -0.230 0.000 2.333 456 Y HA 0.396 4.946 4.550 0.000 0.000 0.324 456 Y C -1.655 174.068 175.900 -0.295 0.000 1.033 456 Y CA -1.009 56.990 58.100 -0.168 0.000 1.224 456 Y CB 0.921 39.302 38.460 -0.131 0.000 1.120 456 Y HN -0.082 nan 8.280 nan 0.000 0.457 457 Y N 2.362 122.598 120.300 -0.107 0.000 2.485 457 Y HA 0.653 5.203 4.550 0.000 0.000 0.345 457 Y C 0.011 175.869 175.900 -0.069 0.000 0.998 457 Y CA -0.683 57.376 58.100 -0.069 0.000 1.059 457 Y CB 2.378 40.766 38.460 -0.119 0.000 1.234 457 Y HN 0.520 nan 8.280 nan 0.000 0.461 458 S N 1.128 116.931 115.700 0.171 0.000 2.599 458 S HA 0.885 5.355 4.470 0.000 0.000 0.287 458 S C -1.631 173.036 174.600 0.112 0.000 1.105 458 S CA -0.740 57.535 58.200 0.124 0.000 0.899 458 S CB 1.892 65.175 63.200 0.138 0.000 1.100 458 S HN 0.630 nan 8.310 nan 0.000 0.482 459 V N 0.517 120.488 119.914 0.094 0.000 3.007 459 V HA 0.876 4.996 4.120 0.000 0.000 0.311 459 V C -1.188 174.961 176.094 0.091 0.000 1.120 459 V CA -0.280 62.040 62.300 0.033 0.000 0.980 459 V CB 2.351 34.098 31.823 -0.127 0.000 1.033 459 V HN 1.199 nan 8.190 nan 0.000 0.429 460 S N 4.664 120.405 115.700 0.068 0.000 2.746 460 S HA 0.638 5.108 4.470 0.000 0.000 0.273 460 S C -1.104 173.605 174.600 0.182 0.000 1.172 460 S CA -0.416 57.924 58.200 0.234 0.000 1.116 460 S CB 0.253 63.669 63.200 0.361 0.000 1.057 460 S HN 0.494 nan 8.310 nan 0.000 0.483 461 F N 2.873 122.851 119.950 0.047 0.000 2.380 461 F HA 0.455 4.982 4.527 0.000 0.000 0.325 461 F C 1.495 176.807 175.800 -0.813 0.000 1.136 461 F CA -0.241 57.616 58.000 -0.238 0.000 1.171 461 F CB 1.057 39.909 39.000 -0.246 0.000 1.230 461 F HN 0.611 nan 8.300 nan 0.000 0.554 462 S N 1.242 116.313 115.700 -1.048 0.000 2.624 462 S HA 0.190 4.660 4.470 0.000 0.000 0.263 462 S C 1.111 175.459 174.600 -0.419 0.000 1.287 462 S CA -0.888 56.459 58.200 -1.422 0.000 0.990 462 S CB 0.853 63.335 63.200 -1.196 0.000 0.950 462 S HN 0.515 nan 8.310 nan 0.000 0.561 463 K N 0.812 121.122 120.400 -0.150 0.000 2.144 463 K HA -0.139 4.181 4.320 0.000 0.000 0.209 463 K C 0.773 177.357 176.600 -0.026 0.000 1.047 463 K CA 1.617 57.906 56.287 0.003 0.000 0.927 463 K CB -0.410 32.144 32.500 0.089 0.000 0.716 463 K HN 0.669 nan 8.250 nan 0.000 0.454 464 E N -1.287 118.866 120.200 -0.078 0.000 2.651 464 E HA 0.265 4.615 4.350 0.000 0.000 0.208 464 E C 0.104 176.641 176.600 -0.105 0.000 0.997 464 E CA 0.207 56.568 56.400 -0.065 0.000 1.020 464 E CB 0.682 30.356 29.700 -0.044 0.000 1.052 464 E HN 0.219 nan 8.360 nan 0.000 0.465 465 A N 1.158 123.897 122.820 -0.133 0.000 2.861 465 A HA -0.336 3.984 4.320 0.000 0.000 0.261 465 A C 1.559 179.102 177.584 -0.068 0.000 1.351 465 A CA 1.772 53.744 52.037 -0.109 0.000 0.904 465 A CB -2.067 16.731 19.000 -0.337 0.000 1.076 465 A HN 0.273 nan 8.150 nan 0.000 0.729 466 K N -1.822 118.485 120.400 -0.155 0.000 2.148 466 K HA 0.069 4.389 4.320 0.000 0.000 0.204 466 K C 0.302 176.611 176.600 -0.485 0.000 1.050 466 K CA 1.600 57.704 56.287 -0.305 0.000 0.942 466 K CB -0.051 32.234 32.500 -0.358 0.000 0.724 466 K HN 0.684 nan 8.250 nan 0.000 0.446 467 Y N -1.410 118.812 120.300 -0.130 0.000 2.634 467 Y HA 0.358 4.908 4.550 0.000 0.000 0.340 467 Y C -1.078 174.742 175.900 -0.134 0.000 1.058 467 Y CA -1.258 56.766 58.100 -0.127 0.000 1.081 467 Y CB 1.803 40.224 38.460 -0.066 0.000 1.295 467 Y HN -0.009 nan 8.280 nan 0.000 0.487 468 Y N -1.252 119.051 120.300 0.005 0.000 2.521 468 Y HA 0.428 4.978 4.550 0.000 0.000 0.328 468 Y C -1.460 174.457 175.900 0.028 0.000 1.151 468 Y CA -1.370 56.578 58.100 -0.253 0.000 1.054 468 Y CB 1.224 38.990 38.460 -1.156 0.000 1.338 468 Y HN 0.608 nan 8.280 nan 0.000 0.453 469 Q N 3.851 123.801 119.800 0.250 0.000 2.257 469 Q HA 0.595 4.935 4.340 0.000 0.000 0.255 469 Q C -1.720 174.389 176.000 0.183 0.000 0.920 469 Q CA -0.778 55.130 55.803 0.175 0.000 0.927 469 Q CB 1.359 30.173 28.738 0.126 0.000 1.229 469 Q HN 0.937 nan 8.270 nan 0.000 0.433 470 L N 4.559 125.907 121.223 0.209 0.000 2.295 470 L HA 0.530 4.870 4.340 0.000 0.000 0.285 470 L C -0.311 176.640 176.870 0.136 0.000 1.035 470 L CA -0.596 54.351 54.840 0.179 0.000 0.806 470 L CB 1.378 43.534 42.059 0.162 0.000 1.214 470 L HN 0.624 nan 8.230 nan 0.000 0.426 471 R N 2.738 123.297 120.500 0.098 0.000 2.320 471 R HA 0.291 4.631 4.340 0.000 0.000 0.319 471 R C -0.848 175.366 176.300 -0.143 0.000 0.969 471 R CA -0.516 55.482 56.100 -0.170 0.000 0.857 471 R CB 1.563 31.775 30.300 -0.148 0.000 1.160 471 R HN 0.571 nan 8.270 nan 0.000 0.491 472 c N 2.828 121.246 118.600 -0.304 0.000 2.369 472 c HA 0.340 4.910 4.570 0.000 0.000 0.358 472 c C 1.494 175.382 174.090 -0.337 0.000 1.274 472 c CA -0.246 55.776 56.329 -0.510 0.000 1.935 472 c CB 0.163 42.344 42.510 -0.548 0.000 2.431 472 c HN 0.955 nan 8.230 nan 0.000 0.545 473 S N 3.657 119.227 115.700 -0.217 0.000 2.730 473 S HA 0.618 5.088 4.470 0.000 0.000 0.244 473 S C 0.355 174.911 174.600 -0.073 0.000 1.022 473 S CA 0.230 58.362 58.200 -0.114 0.000 1.014 473 S CB 0.018 63.173 63.200 -0.075 0.000 0.963 473 S HN 1.986 nan 8.310 nan 0.000 0.540 474 G N 1.932 110.674 108.800 -0.095 0.000 2.336 474 G HA2 0.341 4.301 3.960 0.000 0.000 0.300 474 G HA3 0.341 4.301 3.960 0.000 0.000 0.300 474 G C -3.053 171.823 174.900 -0.041 0.000 1.375 474 G CA -0.475 44.608 45.100 -0.028 0.000 0.885 474 G HN -0.129 nan 8.290 nan 0.000 0.599 475 P HA 0.136 nan 4.420 nan 0.000 0.237 475 P C 1.193 178.499 177.300 0.010 0.000 1.178 475 P CA 1.280 64.406 63.100 0.044 0.000 0.766 475 P CB 0.401 32.126 31.700 0.041 0.000 0.876 476 G N 0.251 108.987 108.800 -0.107 0.000 2.532 476 G HA2 0.457 4.417 3.960 0.000 0.000 0.291 476 G HA3 0.457 4.417 3.960 0.000 0.000 0.291 476 G C -0.369 174.256 174.900 -0.458 0.000 1.349 476 G CA -0.797 44.148 45.100 -0.258 0.000 1.038 476 G HN 0.028 nan 8.290 nan 0.000 0.518 477 L N 1.040 121.937 121.223 -0.543 0.000 2.456 477 L HA 0.173 4.513 4.340 0.000 0.000 0.272 477 L C -1.903 174.836 176.870 -0.218 0.000 1.189 477 L CA -1.288 53.242 54.840 -0.516 0.000 0.846 477 L CB 0.683 42.524 42.059 -0.364 0.000 1.111 477 L HN 0.226 nan 8.230 nan 0.000 0.475 478 P HA -0.042 nan 4.420 nan 0.000 0.261 478 P C -0.918 176.380 177.300 -0.003 0.000 1.173 478 P CA 0.193 63.267 63.100 -0.043 0.000 0.760 478 P CB 0.425 32.197 31.700 0.119 0.000 0.783 479 L N 6.033 127.186 121.223 -0.116 0.000 2.376 479 L HA 0.475 4.815 4.340 0.000 0.000 0.275 479 L C -1.668 175.150 176.870 -0.086 0.000 0.987 479 L CA -0.734 54.097 54.840 -0.015 0.000 0.828 479 L CB 0.816 42.855 42.059 -0.034 0.000 1.249 479 L HN 0.212 nan 8.230 nan 0.000 0.409 480 Y N 2.748 123.034 120.300 -0.023 0.000 2.335 480 Y HA 0.748 5.298 4.550 0.000 0.000 0.338 480 Y C 0.559 176.374 175.900 -0.141 0.000 0.977 480 Y CA -0.546 57.519 58.100 -0.058 0.000 1.114 480 Y CB 2.042 40.445 38.460 -0.095 0.000 1.182 480 Y HN 0.679 nan 8.280 nan 0.000 0.463 481 T N 0.796 115.358 114.554 0.014 0.000 2.906 481 T HA 0.711 5.061 4.350 0.000 0.000 0.295 481 T C -1.577 172.971 174.700 -0.253 0.000 1.075 481 T CA -0.886 61.129 62.100 -0.143 0.000 1.005 481 T CB 1.931 70.749 68.868 -0.084 0.000 1.136 481 T HN 0.380 nan 8.240 nan 0.000 0.498 482 L N 1.909 122.854 121.223 -0.463 0.000 2.329 482 L HA 0.626 4.966 4.340 0.000 0.000 0.279 482 L C -0.887 175.560 176.870 -0.705 0.000 1.014 482 L CA -0.358 54.246 54.840 -0.393 0.000 0.814 482 L CB 1.148 43.069 42.059 -0.230 0.000 1.257 482 L HN 0.827 nan 8.230 nan 0.000 0.424 483 H N 1.683 120.536 119.070 -0.361 0.000 2.851 483 H HA 0.476 5.032 4.556 0.000 0.000 0.372 483 H C -0.850 174.242 175.328 -0.392 0.000 1.158 483 H CA -0.747 54.986 56.048 -0.524 0.000 1.159 483 H CB 2.131 31.246 29.762 -1.078 0.000 1.757 483 H HN 0.593 nan 8.280 nan 0.000 0.546 484 S N 0.862 116.503 115.700 -0.098 0.000 2.508 484 S HA 0.173 4.643 4.470 0.000 0.000 0.284 484 S C 0.703 175.218 174.600 -0.142 0.000 1.192 484 S CA -0.636 57.464 58.200 -0.166 0.000 1.070 484 S CB 1.478 64.608 63.200 -0.118 0.000 1.004 484 S HN 0.554 nan 8.310 nan 0.000 0.493 485 S N 2.642 118.271 115.700 -0.118 0.000 2.481 485 S HA -0.057 4.413 4.470 0.000 0.000 0.231 485 S C 1.840 176.465 174.600 0.042 0.000 0.996 485 S CA 0.733 58.997 58.200 0.107 0.000 0.942 485 S CB -0.522 62.752 63.200 0.124 0.000 0.768 485 S HN 0.657 nan 8.310 nan 0.000 0.520 486 V N 2.820 122.706 119.914 -0.047 0.000 2.252 486 V HA -0.188 3.932 4.120 0.000 0.000 0.249 486 V C 1.523 177.615 176.094 -0.002 0.000 1.056 486 V CA 1.654 63.941 62.300 -0.021 0.000 1.022 486 V CB -0.464 31.332 31.823 -0.044 0.000 0.641 486 V HN 0.540 nan 8.190 nan 0.000 0.445 487 N N -1.927 116.768 118.700 -0.008 0.000 2.143 487 N HA 0.082 4.822 4.740 0.000 0.000 0.222 487 N C -0.177 175.331 175.510 -0.003 0.000 1.264 487 N CA 0.400 53.444 53.050 -0.010 0.000 0.897 487 N CB 0.775 39.257 38.487 -0.010 0.000 1.092 487 N HN 0.418 nan 8.380 nan 0.000 0.516 488 D N 0.965 121.383 120.400 0.031 0.000 2.981 488 D HA -0.171 4.469 4.640 0.000 0.000 0.223 488 D C 0.191 176.518 176.300 0.046 0.000 1.151 488 D CA 0.863 54.903 54.000 0.067 0.000 0.827 488 D CB -0.985 39.841 40.800 0.044 0.000 1.101 488 D HN 0.425 nan 8.370 nan 0.000 0.426 489 K N 1.002 121.417 120.400 0.025 0.000 2.401 489 K HA 0.307 4.627 4.320 0.000 0.000 0.278 489 K C 0.628 177.258 176.600 0.049 0.000 1.018 489 K CA 0.254 56.557 56.287 0.026 0.000 0.981 489 K CB 0.632 33.132 32.500 -0.001 0.000 0.933 489 K HN 0.063 nan 8.250 nan 0.000 0.477 490 G N 4.966 113.796 108.800 0.049 0.000 2.372 490 G HA2 0.162 4.122 3.960 0.000 0.000 0.286 490 G HA3 0.162 4.122 3.960 0.000 0.000 0.286 490 G C 0.868 175.669 174.900 -0.166 0.000 1.153 490 G CA -0.533 44.501 45.100 -0.110 0.000 0.985 490 G HN 0.731 nan 8.290 nan 0.000 0.429 491 L N 1.875 122.960 121.223 -0.229 0.000 2.027 491 L HA 0.141 4.481 4.340 0.000 0.000 0.206 491 L C 1.709 178.499 176.870 -0.134 0.000 1.074 491 L CA 1.179 55.938 54.840 -0.135 0.000 0.745 491 L CB -0.405 41.591 42.059 -0.105 0.000 0.898 491 L HN 0.764 nan 8.230 nan 0.000 0.433 492 R N -2.549 117.831 120.500 -0.201 0.000 2.829 492 R HA 0.369 4.709 4.340 0.000 0.000 0.283 492 R C -1.655 174.528 176.300 -0.196 0.000 1.013 492 R CA -0.962 55.046 56.100 -0.154 0.000 0.848 492 R CB 1.155 31.393 30.300 -0.102 0.000 1.291 492 R HN -0.292 nan 8.270 nan 0.000 0.496 493 V N 2.675 122.505 119.914 -0.141 0.000 2.385 493 V HA 0.199 4.319 4.120 0.000 0.000 0.269 493 V C 1.300 177.286 176.094 -0.180 0.000 1.043 493 V CA -0.433 61.787 62.300 -0.134 0.000 0.906 493 V CB 1.100 32.882 31.823 -0.069 0.000 0.995 493 V HN 0.619 nan 8.190 nan 0.000 0.467 494 L N 2.789 123.836 121.223 -0.293 0.000 2.209 494 L HA 0.249 4.589 4.340 0.000 0.000 0.207 494 L C 0.737 177.434 176.870 -0.287 0.000 1.094 494 L CA 0.785 55.296 54.840 -0.549 0.000 0.790 494 L CB 0.189 41.496 42.059 -1.253 0.000 0.932 494 L HN 0.685 nan 8.230 nan 0.000 0.447 495 E N -0.186 119.956 120.200 -0.097 0.000 2.406 495 E HA 0.070 4.420 4.350 0.000 0.000 0.297 495 E C -1.171 175.501 176.600 0.120 0.000 0.917 495 E CA -0.281 56.143 56.400 0.040 0.000 0.795 495 E CB 0.993 30.707 29.700 0.022 0.000 1.285 495 E HN 0.135 nan 8.360 nan 0.000 0.400 496 D N 3.357 123.801 120.400 0.074 0.000 2.469 496 D HA 0.119 4.759 4.640 0.000 0.000 0.215 496 D C -0.344 175.985 176.300 0.047 0.000 1.154 496 D CA -0.267 53.769 54.000 0.059 0.000 0.832 496 D CB -0.045 40.768 40.800 0.021 0.000 1.008 496 D HN 0.449 nan 8.370 nan 0.000 0.506 497 N N 0.846 119.586 118.700 0.067 0.000 2.727 497 N HA -0.200 4.540 4.740 0.000 0.000 0.249 497 N C 0.973 176.501 175.510 0.029 0.000 1.048 497 N CA 0.903 53.986 53.050 0.055 0.000 0.714 497 N CB -1.230 37.288 38.487 0.053 0.000 0.959 497 N HN 0.497 nan 8.380 nan 0.000 0.544 498 S N -1.273 114.445 115.700 0.029 0.000 2.402 498 S HA -0.011 4.459 4.470 0.000 0.000 0.229 498 S C 2.084 176.703 174.600 0.032 0.000 1.021 498 S CA 0.861 59.073 58.200 0.020 0.000 0.974 498 S CB -0.074 63.138 63.200 0.019 0.000 0.800 498 S HN 0.518 nan 8.310 nan 0.000 0.484 499 A N 2.600 125.447 122.820 0.045 0.000 1.851 499 A HA 0.014 4.334 4.320 0.000 0.000 0.216 499 A C 2.242 179.871 177.584 0.075 0.000 1.195 499 A CA 1.706 53.778 52.037 0.058 0.000 0.622 499 A CB -1.189 17.848 19.000 0.061 0.000 0.831 499 A HN 0.515 nan 8.150 nan 0.000 0.444 500 L N 0.604 121.879 121.223 0.086 0.000 1.997 500 L HA -0.260 4.080 4.340 0.000 0.000 0.216 500 L C 2.040 178.954 176.870 0.074 0.000 1.074 500 L CA 3.081 57.990 54.840 0.114 0.000 0.763 500 L CB -0.996 41.129 42.059 0.111 0.000 0.890 500 L HN 0.590 nan 8.230 nan 0.000 0.434 501 D N -0.898 119.517 120.400 0.024 0.000 2.157 501 D HA -0.296 4.344 4.640 0.000 0.000 0.191 501 D C 2.196 178.503 176.300 0.012 0.000 1.004 501 D CA 1.683 55.678 54.000 -0.008 0.000 0.854 501 D CB -0.153 40.632 40.800 -0.024 0.000 0.936 501 D HN 0.200 nan 8.370 nan 0.000 0.446 502 K N -0.006 120.414 120.400 0.033 0.000 2.026 502 K HA -0.139 4.181 4.320 0.000 0.000 0.208 502 K C 2.226 178.862 176.600 0.060 0.000 1.048 502 K CA 1.221 57.533 56.287 0.042 0.000 0.929 502 K CB -0.408 32.120 32.500 0.047 0.000 0.713 502 K HN 0.352 nan 8.250 nan 0.000 0.439 503 M N 0.548 120.207 119.600 0.099 0.000 2.086 503 M HA -0.170 4.310 4.480 0.000 0.000 0.261 503 M C 2.233 178.567 176.300 0.057 0.000 1.067 503 M CA 1.469 56.862 55.300 0.155 0.000 1.116 503 M CB -0.346 32.446 32.600 0.321 0.000 1.348 503 M HN 0.041 nan 8.290 nan 0.000 0.407 504 L N 0.352 121.564 121.223 -0.018 0.000 2.265 504 L HA -0.210 4.130 4.340 0.000 0.000 0.215 504 L C 2.639 179.475 176.870 -0.058 0.000 1.117 504 L CA 1.059 55.832 54.840 -0.112 0.000 0.782 504 L CB -0.891 41.116 42.059 -0.087 0.000 0.914 504 L HN 0.506 nan 8.230 nan 0.000 0.441 505 Q N -0.756 119.034 119.800 -0.015 0.000 2.436 505 Q HA -0.151 4.189 4.340 0.000 0.000 0.209 505 Q C 1.429 177.437 176.000 0.013 0.000 0.965 505 Q CA 0.945 56.747 55.803 -0.002 0.000 0.910 505 Q CB -0.285 28.458 28.738 0.007 0.000 0.980 505 Q HN 0.408 nan 8.270 nan 0.000 0.491 506 N N 0.898 119.610 118.700 0.020 0.000 2.322 506 N HA 0.070 4.810 4.740 0.000 0.000 0.194 506 N C -0.953 174.582 175.510 0.041 0.000 1.126 506 N CA 0.101 53.177 53.050 0.044 0.000 0.845 506 N CB 1.204 39.736 38.487 0.074 0.000 0.976 506 N HN 0.185 nan 8.380 nan 0.000 0.475 507 V N 0.670 120.585 119.914 0.002 0.000 2.841 507 V HA 0.296 4.416 4.120 0.000 0.000 0.310 507 V C -0.878 175.213 176.094 -0.006 0.000 1.090 507 V CA -0.744 61.558 62.300 0.003 0.000 0.930 507 V CB 2.112 33.901 31.823 -0.055 0.000 1.014 507 V HN -0.020 nan 8.190 nan 0.000 0.425 508 Q N 4.848 124.658 119.800 0.016 0.000 2.780 508 Q HA 0.222 4.562 4.340 0.000 0.000 0.234 508 Q C -0.264 175.700 176.000 -0.060 0.000 1.355 508 Q CA -0.091 55.696 55.803 -0.026 0.000 0.919 508 Q CB 0.344 29.079 28.738 -0.004 0.000 1.645 508 Q HN 0.694 nan 8.270 nan 0.000 0.568 509 M N 3.643 123.198 119.600 -0.075 0.000 2.241 509 M HA 0.230 4.710 4.480 0.000 0.000 0.335 509 M C -2.106 174.117 176.300 -0.127 0.000 1.122 509 M CA -1.916 53.327 55.300 -0.096 0.000 1.164 509 M CB 0.552 33.100 32.600 -0.088 0.000 1.459 509 M HN 0.252 nan 8.290 nan 0.000 0.461 510 P HA 0.341 nan 4.420 nan 0.000 0.280 510 P C -1.526 175.685 177.300 -0.149 0.000 1.272 510 P CA -0.572 62.426 63.100 -0.170 0.000 0.819 510 P CB 0.988 32.572 31.700 -0.193 0.000 1.122 511 S N -0.440 115.158 115.700 -0.171 0.000 2.718 511 S HA 0.609 5.079 4.470 0.000 0.000 0.300 511 S C -0.471 174.033 174.600 -0.161 0.000 1.117 511 S CA -0.722 57.397 58.200 -0.136 0.000 1.002 511 S CB 1.619 64.744 63.200 -0.125 0.000 1.092 511 S HN 0.513 nan 8.310 nan 0.000 0.542 512 K N 0.494 120.827 120.400 -0.111 0.000 2.397 512 K HA 0.426 4.746 4.320 0.000 0.000 0.253 512 K C -1.353 175.195 176.600 -0.086 0.000 0.932 512 K CA -0.561 55.662 56.287 -0.106 0.000 0.795 512 K CB 1.395 33.857 32.500 -0.064 0.000 1.159 512 K HN 0.730 nan 8.250 nan 0.000 0.424 513 K N 5.909 126.247 120.400 -0.103 0.000 2.323 513 K HA 0.358 4.678 4.320 0.000 0.000 0.259 513 K C -1.566 174.987 176.600 -0.078 0.000 0.947 513 K CA -0.714 55.527 56.287 -0.078 0.000 0.819 513 K CB 1.134 33.579 32.500 -0.093 0.000 1.109 513 K HN 0.633 nan 8.250 nan 0.000 0.429 514 L N 4.151 125.349 121.223 -0.041 0.000 2.333 514 L HA 0.497 4.837 4.340 0.000 0.000 0.280 514 L C -1.249 175.614 176.870 -0.011 0.000 1.004 514 L CA -0.211 54.626 54.840 -0.006 0.000 0.820 514 L CB 1.485 43.612 42.059 0.112 0.000 1.247 514 L HN 0.875 nan 8.230 nan 0.000 0.416 515 D N 2.547 122.810 120.400 -0.228 0.000 2.970 515 D HA 0.451 5.091 4.640 0.000 0.000 0.344 515 D C -1.630 174.397 176.300 -0.455 0.000 1.365 515 D CA 0.004 53.822 54.000 -0.304 0.000 0.910 515 D CB 1.768 42.361 40.800 -0.344 0.000 1.445 515 D HN 0.247 nan 8.370 nan 0.000 0.532 516 F N -0.130 119.483 119.950 -0.562 0.000 2.629 516 F HA 0.745 5.272 4.527 0.000 0.000 0.316 516 F C -1.341 174.501 175.800 0.069 0.000 1.081 516 F CA -1.014 56.722 58.000 -0.440 0.000 0.954 516 F CB 1.269 39.532 39.000 -1.228 0.000 1.337 516 F HN 0.265 nan 8.300 nan 0.000 0.474 517 I N 2.114 122.888 120.570 0.340 0.000 2.828 517 I HA 0.597 4.767 4.170 0.000 0.000 0.302 517 I C -1.615 174.715 176.117 0.356 0.000 1.101 517 I CA -1.322 60.134 61.300 0.261 0.000 1.031 517 I CB 2.339 40.523 38.000 0.308 0.000 1.231 517 I HN 0.683 nan 8.210 nan 0.000 0.427 518 I N 7.252 127.972 120.570 0.251 0.000 2.355 518 I HA 0.375 4.545 4.170 0.000 0.000 0.288 518 I C -0.952 175.309 176.117 0.239 0.000 0.999 518 I CA -0.541 60.916 61.300 0.260 0.000 1.163 518 I CB 1.444 39.558 38.000 0.191 0.000 1.316 518 I HN 0.323 nan 8.210 nan 0.000 0.454 519 L N 6.205 127.638 121.223 0.351 0.000 2.365 519 L HA 0.470 4.810 4.340 0.000 0.000 0.273 519 L C 0.322 177.346 176.870 0.257 0.000 1.000 519 L CA -0.895 54.109 54.840 0.274 0.000 0.819 519 L CB 1.471 43.691 42.059 0.268 0.000 1.284 519 L HN 0.596 nan 8.230 nan 0.000 0.418 520 N N 2.462 121.247 118.700 0.143 0.000 2.707 520 N HA -0.230 4.510 4.740 0.000 0.000 0.253 520 N C 0.488 176.060 175.510 0.103 0.000 0.998 520 N CA 1.263 54.377 53.050 0.106 0.000 0.751 520 N CB -0.543 38.005 38.487 0.102 0.000 0.920 520 N HN 0.827 nan 8.380 nan 0.000 0.539 521 E N -1.956 118.300 120.200 0.092 0.000 2.735 521 E HA -0.220 4.130 4.350 0.000 0.000 0.261 521 E C -1.006 175.621 176.600 0.045 0.000 1.137 521 E CA 1.779 58.219 56.400 0.067 0.000 0.754 521 E CB -1.052 28.674 29.700 0.042 0.000 1.352 521 E HN 0.517 nan 8.360 nan 0.000 0.430 522 T N 0.488 115.076 114.554 0.056 0.000 2.863 522 T HA 0.450 4.800 4.350 0.000 0.000 0.285 522 T C -0.356 174.242 174.700 -0.171 0.000 1.009 522 T CA -0.665 61.378 62.100 -0.096 0.000 0.989 522 T CB 1.394 70.157 68.868 -0.175 0.000 1.004 522 T HN 0.248 nan 8.240 nan 0.000 0.455 523 K N 1.881 122.125 120.400 -0.259 0.000 2.144 523 K HA 0.588 4.908 4.320 0.000 0.000 0.270 523 K C -1.388 174.954 176.600 -0.430 0.000 1.005 523 K CA -0.482 55.703 56.287 -0.169 0.000 0.932 523 K CB 0.748 33.090 32.500 -0.263 0.000 1.021 523 K HN 0.426 nan 8.250 nan 0.000 0.462 524 F N 1.387 121.423 119.950 0.143 0.000 2.536 524 F HA 0.299 4.826 4.527 0.000 0.000 0.322 524 F C -0.933 174.934 175.800 0.112 0.000 1.144 524 F CA -0.803 57.261 58.000 0.106 0.000 0.924 524 F CB 1.129 40.179 39.000 0.083 0.000 1.181 524 F HN 0.535 nan 8.300 nan 0.000 0.438 525 W N 3.811 125.221 121.300 0.183 0.000 2.251 525 W HA 0.487 5.147 4.660 0.000 0.000 0.329 525 W C -0.415 176.243 176.519 0.232 0.000 1.234 525 W CA -0.504 56.970 57.345 0.214 0.000 1.228 525 W CB 0.440 29.969 29.460 0.115 0.000 1.135 525 W HN 0.467 nan 8.180 nan 0.000 0.576 526 Y N -0.611 119.984 120.300 0.492 0.000 2.689 526 Y HA 0.696 5.246 4.550 0.000 0.000 0.333 526 Y C -1.113 175.016 175.900 0.381 0.000 1.190 526 Y CA -1.880 56.526 58.100 0.510 0.000 1.063 526 Y CB 1.205 40.171 38.460 0.844 0.000 1.294 526 Y HN 0.551 nan 8.280 nan 0.000 0.466 527 Q N 1.576 121.600 119.800 0.374 0.000 2.377 527 Q HA 0.741 5.081 4.340 0.000 0.000 0.279 527 Q C -1.966 174.135 176.000 0.169 0.000 1.049 527 Q CA -1.116 54.768 55.803 0.135 0.000 0.825 527 Q CB 3.268 32.064 28.738 0.097 0.000 1.401 527 Q HN 0.853 nan 8.270 nan 0.000 0.404 528 M N 2.360 121.975 119.600 0.026 0.000 2.457 528 M HA 0.513 4.993 4.480 0.000 0.000 0.300 528 M C -1.214 174.983 176.300 -0.172 0.000 1.141 528 M CA -0.621 54.622 55.300 -0.095 0.000 0.901 528 M CB 2.649 35.135 32.600 -0.189 0.000 1.687 528 M HN 0.618 nan 8.290 nan 0.000 0.449 529 I N 4.376 124.831 120.570 -0.192 0.000 2.347 529 I HA 0.321 4.491 4.170 0.000 0.000 0.283 529 I C -0.723 175.197 176.117 -0.327 0.000 1.058 529 I CA -0.427 60.738 61.300 -0.224 0.000 1.202 529 I CB 0.474 38.371 38.000 -0.172 0.000 1.386 529 I HN 0.499 nan 8.210 nan 0.000 0.475 530 L N 7.945 128.908 121.223 -0.434 0.000 2.349 530 L HA 0.378 4.718 4.340 0.000 0.000 0.275 530 L C -2.182 174.438 176.870 -0.416 0.000 1.115 530 L CA -1.768 52.698 54.840 -0.623 0.000 0.820 530 L CB 0.199 41.706 42.059 -0.919 0.000 1.135 530 L HN 0.210 nan 8.230 nan 0.000 0.445 531 P HA 0.131 nan 4.420 nan 0.000 0.271 531 P C -2.473 174.728 177.300 -0.165 0.000 1.233 531 P CA -0.983 61.991 63.100 -0.210 0.000 0.789 531 P CB -0.044 31.584 31.700 -0.119 0.000 0.951 532 P HA -0.004 nan 4.420 nan 0.000 0.269 532 P C -0.462 176.663 177.300 -0.291 0.000 1.215 532 P CA 0.650 63.526 63.100 -0.373 0.000 0.780 532 P CB -0.146 31.231 31.700 -0.538 0.000 0.898 533 H N -1.272 117.833 119.070 0.058 0.000 2.692 533 H HA -0.205 4.351 4.556 0.000 0.000 0.316 533 H C 0.047 175.450 175.328 0.126 0.000 1.176 533 H CA -0.133 55.959 56.048 0.073 0.000 1.142 533 H CB -2.415 27.381 29.762 0.057 0.000 1.475 533 H HN 0.347 nan 8.280 nan 0.000 0.423 534 F N 2.356 122.298 119.950 -0.014 0.000 2.607 534 F HA 0.141 4.668 4.527 0.000 0.000 0.374 534 F C 0.647 176.469 175.800 0.037 0.000 1.104 534 F CA -0.031 57.925 58.000 -0.074 0.000 1.296 534 F CB 0.574 39.426 39.000 -0.247 0.000 1.085 534 F HN 0.256 nan 8.300 nan 0.000 0.584 535 D N 6.129 126.244 120.400 -0.474 0.000 2.440 535 D HA 0.145 4.785 4.640 0.000 0.000 0.252 535 D C 0.358 176.291 176.300 -0.612 0.000 1.180 535 D CA -0.379 53.385 54.000 -0.394 0.000 0.894 535 D CB 1.107 41.843 40.800 -0.106 0.000 1.111 535 D HN 0.656 nan 8.370 nan 0.000 0.544 536 K N 0.877 120.882 120.400 -0.657 0.000 2.520 536 K HA -0.038 4.282 4.320 0.000 0.000 0.197 536 K C 1.517 178.096 176.600 -0.035 0.000 1.043 536 K CA 0.606 56.710 56.287 -0.305 0.000 0.944 536 K CB 0.348 32.821 32.500 -0.044 0.000 0.770 536 K HN 0.179 nan 8.250 nan 0.000 0.480 537 S N 0.377 116.024 115.700 -0.088 0.000 2.425 537 S HA -0.018 4.452 4.470 0.000 0.000 0.225 537 S C 0.879 175.447 174.600 -0.053 0.000 1.024 537 S CA 0.412 58.584 58.200 -0.046 0.000 0.951 537 S CB 0.184 63.349 63.200 -0.058 0.000 0.796 537 S HN 0.189 nan 8.310 nan 0.000 0.498 538 K N 2.216 122.555 120.400 -0.102 0.000 2.126 538 K HA 0.138 4.458 4.320 0.000 0.000 0.257 538 K C -0.737 175.784 176.600 -0.132 0.000 1.007 538 K CA -0.003 56.167 56.287 -0.194 0.000 0.928 538 K CB 0.461 32.726 32.500 -0.392 0.000 1.013 538 K HN -0.096 nan 8.250 nan 0.000 0.473 539 K N 3.390 123.683 120.400 -0.177 0.000 2.293 539 K HA 0.232 4.552 4.320 0.000 0.000 0.267 539 K C -0.706 175.816 176.600 -0.129 0.000 1.010 539 K CA -0.425 55.836 56.287 -0.042 0.000 0.875 539 K CB 0.576 33.048 32.500 -0.046 0.000 1.106 539 K HN 0.399 nan 8.250 nan 0.000 0.450 540 Y N 2.870 123.216 120.300 0.077 0.000 2.419 540 Y HA 0.301 4.851 4.550 0.000 0.000 0.328 540 Y C -1.779 174.068 175.900 -0.087 0.000 1.162 540 Y CA -2.252 55.858 58.100 0.016 0.000 1.174 540 Y CB 1.242 39.756 38.460 0.089 0.000 1.228 540 Y HN 0.421 nan 8.280 nan 0.000 0.473 541 P HA 0.181 nan 4.420 nan 0.000 0.280 541 P C -1.137 175.999 177.300 -0.273 0.000 1.244 541 P CA -0.180 62.656 63.100 -0.439 0.000 0.784 541 P CB 1.601 32.751 31.700 -0.918 0.000 0.913 542 L N 4.079 125.194 121.223 -0.180 0.000 2.346 542 L HA 0.555 4.895 4.340 0.000 0.000 0.276 542 L C -1.139 175.868 176.870 0.228 0.000 1.006 542 L CA -1.135 53.730 54.840 0.042 0.000 0.817 542 L CB 1.631 43.756 42.059 0.109 0.000 1.272 542 L HN 0.272 nan 8.230 nan 0.000 0.421 543 L N 5.884 127.272 121.223 0.275 0.000 2.319 543 L HA 0.405 4.745 4.340 0.000 0.000 0.281 543 L C -1.233 175.867 176.870 0.384 0.000 1.005 543 L CA -0.865 54.215 54.840 0.400 0.000 0.828 543 L CB 1.783 44.036 42.059 0.323 0.000 1.227 543 L HN 0.654 nan 8.230 nan 0.000 0.415 544 L N 5.435 126.935 121.223 0.462 0.000 2.312 544 L HA 0.290 4.630 4.340 0.000 0.000 0.287 544 L C -0.142 176.964 176.870 0.393 0.000 1.091 544 L CA 0.102 55.203 54.840 0.435 0.000 0.846 544 L CB 0.507 42.857 42.059 0.485 0.000 1.219 544 L HN 0.496 nan 8.230 nan 0.000 0.439 545 D N 4.244 124.863 120.400 0.365 0.000 2.325 545 D HA 0.206 4.846 4.640 0.000 0.000 0.251 545 D C -0.832 175.556 176.300 0.147 0.000 1.196 545 D CA 0.181 54.323 54.000 0.236 0.000 0.866 545 D CB 1.285 42.288 40.800 0.340 0.000 1.101 545 D HN 0.336 nan 8.370 nan 0.000 0.476 546 V N 4.847 124.767 119.914 0.011 0.000 3.001 546 V HA 0.630 4.750 4.120 0.000 0.000 0.314 546 V C -0.793 175.399 176.094 0.164 0.000 1.099 546 V CA -0.529 61.846 62.300 0.124 0.000 0.989 546 V CB 1.970 33.864 31.823 0.118 0.000 1.040 546 V HN 0.635 nan 8.190 nan 0.000 0.434 547 F N 3.700 123.727 119.950 0.128 0.000 1.832 547 F HA 0.576 5.103 4.527 0.000 0.000 0.236 547 F C 1.424 177.392 175.800 0.280 0.000 1.180 547 F CA 1.116 59.226 58.000 0.184 0.000 1.297 547 F CB -0.005 39.079 39.000 0.140 0.000 1.748 547 F HN 0.959 nan 8.300 nan 0.000 0.453 548 A N 1.415 124.461 122.820 0.376 0.000 2.816 548 A HA -0.096 4.224 4.320 0.000 0.000 0.270 548 A C 0.846 178.388 177.584 -0.070 0.000 1.413 548 A CA 0.915 53.092 52.037 0.234 0.000 0.866 548 A CB -2.614 16.541 19.000 0.259 0.000 1.032 548 A HN 1.104 nan 8.150 nan 0.000 0.642 549 G N -1.044 107.512 108.800 -0.407 0.000 2.634 549 G HA2 0.484 4.444 3.960 0.000 0.000 0.255 549 G HA3 0.484 4.444 3.960 0.000 0.000 0.255 549 G C -2.270 172.382 174.900 -0.413 0.000 1.205 549 G CA -0.909 43.477 45.100 -1.190 0.000 0.884 549 G HN 0.301 nan 8.290 nan 0.000 0.549 550 P HA 0.084 nan 4.420 nan 0.000 0.264 550 P C 0.588 177.790 177.300 -0.163 0.000 1.193 550 P CA 0.132 62.967 63.100 -0.442 0.000 0.763 550 P CB 0.729 31.691 31.700 -1.229 0.000 0.810 551 C N 2.571 121.817 119.300 -0.090 0.000 4.417 551 C HA -0.157 4.303 4.460 0.000 0.000 0.284 551 C C 0.984 175.973 174.990 -0.001 0.000 1.379 551 C CA 1.134 60.050 59.018 -0.172 0.000 1.918 551 C CB -2.729 24.740 27.740 -0.452 0.000 1.280 551 C HN 0.798 nan 8.230 nan 0.000 0.783 552 S N -0.019 115.771 115.700 0.151 0.000 2.645 552 S HA 0.586 5.056 4.470 0.000 0.000 0.266 552 S C -0.602 174.146 174.600 0.247 0.000 1.258 552 S CA 0.249 58.608 58.200 0.266 0.000 0.990 552 S CB 1.617 65.088 63.200 0.452 0.000 0.967 552 S HN 0.875 nan 8.310 nan 0.000 0.556 553 Q N -0.026 119.928 119.800 0.256 0.000 2.406 553 Q HA 0.340 4.680 4.340 0.000 0.000 0.244 553 Q C -0.717 175.386 176.000 0.172 0.000 0.884 553 Q CA -0.606 55.348 55.803 0.252 0.000 0.813 553 Q CB 1.010 29.960 28.738 0.354 0.000 1.368 553 Q HN 0.679 nan 8.270 nan 0.000 0.439 554 K N 1.003 121.513 120.400 0.183 0.000 2.353 554 K HA 0.323 4.643 4.320 0.000 0.000 0.195 554 K C -0.281 176.414 176.600 0.159 0.000 1.031 554 K CA 0.369 56.754 56.287 0.163 0.000 1.079 554 K CB 1.387 34.019 32.500 0.220 0.000 0.857 554 K HN 0.496 nan 8.250 nan 0.000 0.535 555 A N 2.794 125.718 122.820 0.173 0.000 2.316 555 A HA 0.414 4.734 4.320 0.000 0.000 0.324 555 A C -0.791 176.857 177.584 0.106 0.000 1.375 555 A CA -0.578 51.561 52.037 0.170 0.000 0.882 555 A CB 0.111 19.267 19.000 0.261 0.000 1.152 555 A HN 0.221 nan 8.150 nan 0.000 0.512 556 D N -0.058 120.380 120.400 0.063 0.000 2.798 556 D HA 0.447 5.087 4.640 0.000 0.000 0.308 556 D C 0.527 176.840 176.300 0.022 0.000 1.187 556 D CA 0.288 54.314 54.000 0.043 0.000 1.033 556 D CB 0.249 41.079 40.800 0.049 0.000 1.445 556 D HN 0.151 nan 8.370 nan 0.000 0.550 557 T N -2.425 112.161 114.554 0.054 0.000 3.163 557 T HA 0.296 4.646 4.350 0.000 0.000 0.252 557 T C 0.487 175.160 174.700 -0.046 0.000 1.056 557 T CA -0.381 61.746 62.100 0.045 0.000 0.947 557 T CB -0.623 68.316 68.868 0.119 0.000 1.016 557 T HN 0.249 nan 8.240 nan 0.000 0.554 558 V N 2.614 122.395 119.914 -0.221 0.000 2.637 558 V HA 0.322 4.442 4.120 0.000 0.000 0.296 558 V C 0.070 176.104 176.094 -0.101 0.000 1.046 558 V CA -0.857 61.262 62.300 -0.301 0.000 1.066 558 V CB 0.121 31.647 31.823 -0.495 0.000 0.968 558 V HN 0.553 nan 8.190 nan 0.000 0.483 559 F N 6.322 126.171 119.950 -0.168 0.000 2.404 559 F HA 0.633 5.160 4.527 0.000 0.000 0.345 559 F C 0.408 176.147 175.800 -0.102 0.000 1.110 559 F CA -0.338 57.591 58.000 -0.118 0.000 1.130 559 F CB 0.478 39.420 39.000 -0.098 0.000 1.129 559 F HN 0.429 nan 8.300 nan 0.000 0.500 560 R N 6.337 126.292 120.500 -0.907 0.000 2.725 560 R HA 0.553 4.893 4.340 0.000 0.000 0.277 560 R C -1.704 174.152 176.300 -0.740 0.000 0.987 560 R CA -1.073 54.657 56.100 -0.616 0.000 0.901 560 R CB 2.164 32.281 30.300 -0.305 0.000 1.207 560 R HN 0.666 nan 8.270 nan 0.000 0.463 561 L N 3.875 124.864 121.223 -0.390 0.000 2.356 561 L HA 0.379 4.719 4.340 0.000 0.000 0.264 561 L C -0.779 176.057 176.870 -0.057 0.000 1.029 561 L CA -0.656 54.011 54.840 -0.287 0.000 0.897 561 L CB 0.482 42.506 42.059 -0.058 0.000 1.256 561 L HN 0.754 nan 8.230 nan 0.000 0.444 562 N N -0.154 118.419 118.700 -0.211 0.000 3.343 562 N HA 0.191 4.931 4.740 0.000 0.000 0.330 562 N C 0.303 175.368 175.510 -0.743 0.000 1.560 562 N CA -0.875 51.925 53.050 -0.417 0.000 0.752 562 N CB 0.178 38.579 38.487 -0.143 0.000 1.863 562 N HN 0.239 nan 8.380 nan 0.000 0.636 563 W N 0.679 121.301 121.300 -1.129 0.000 2.335 563 W HA 0.056 4.716 4.660 0.000 0.000 0.311 563 W C 2.106 178.551 176.519 -0.123 0.000 1.213 563 W CA 3.051 60.012 57.345 -0.641 0.000 1.274 563 W CB -1.113 28.154 29.460 -0.321 0.000 1.148 563 W HN 0.693 nan 8.180 nan 0.000 0.498 564 A N -0.474 122.304 122.820 -0.070 0.000 1.978 564 A HA -0.242 4.078 4.320 0.000 0.000 0.220 564 A C 1.935 179.405 177.584 -0.191 0.000 1.170 564 A CA 2.629 54.563 52.037 -0.172 0.000 0.636 564 A CB -1.329 17.652 19.000 -0.031 0.000 0.810 564 A HN 0.333 nan 8.150 nan 0.000 0.448 565 T N -1.359 113.095 114.554 -0.166 0.000 2.746 565 T HA -0.197 4.153 4.350 0.000 0.000 0.267 565 T C 1.789 176.507 174.700 0.029 0.000 1.039 565 T CA 1.738 63.721 62.100 -0.195 0.000 1.142 565 T CB -0.443 68.151 68.868 -0.456 0.000 0.866 565 T HN 0.727 nan 8.240 nan 0.000 0.444 566 Y N 1.909 122.275 120.300 0.109 0.000 2.184 566 Y HA 0.045 4.595 4.550 0.000 0.000 0.290 566 Y C 1.941 177.829 175.900 -0.020 0.000 1.129 566 Y CA 0.794 58.998 58.100 0.174 0.000 1.144 566 Y CB -0.707 37.845 38.460 0.153 0.000 0.995 566 Y HN 0.097 nan 8.280 nan 0.000 0.513 567 L N 0.415 121.220 121.223 -0.696 0.000 2.012 567 L HA -0.253 4.087 4.340 0.000 0.000 0.210 567 L C 2.865 179.466 176.870 -0.448 0.000 1.073 567 L CA 1.533 55.901 54.840 -0.787 0.000 0.748 567 L CB -1.142 40.524 42.059 -0.655 0.000 0.891 567 L HN 0.426 nan 8.230 nan 0.000 0.431 568 A N -0.945 121.691 122.820 -0.306 0.000 1.855 568 A HA -0.217 4.103 4.320 0.000 0.000 0.215 568 A C 2.535 180.015 177.584 -0.173 0.000 1.191 568 A CA 1.919 53.821 52.037 -0.225 0.000 0.613 568 A CB -0.817 18.046 19.000 -0.228 0.000 0.829 568 A HN 0.374 nan 8.150 nan 0.000 0.442 569 S N -1.127 114.491 115.700 -0.136 0.000 2.353 569 S HA -0.157 4.313 4.470 0.000 0.000 0.222 569 S C 2.011 176.590 174.600 -0.035 0.000 1.035 569 S CA 2.502 60.667 58.200 -0.058 0.000 1.025 569 S CB -0.518 62.712 63.200 0.050 0.000 0.902 569 S HN 0.600 nan 8.310 nan 0.000 0.440 570 T N 1.086 115.595 114.554 -0.076 0.000 2.953 570 T HA 0.177 4.527 4.350 0.000 0.000 0.247 570 T C 1.419 176.060 174.700 -0.097 0.000 1.029 570 T CA 0.605 62.679 62.100 -0.044 0.000 1.144 570 T CB -0.182 68.717 68.868 0.053 0.000 0.870 570 T HN 0.285 nan 8.240 nan 0.000 0.446 571 E N 1.422 121.470 120.200 -0.253 0.000 2.489 571 E HA 0.154 4.504 4.350 0.000 0.000 0.193 571 E C 0.023 176.582 176.600 -0.068 0.000 1.057 571 E CA -0.140 56.164 56.400 -0.161 0.000 0.866 571 E CB -0.605 28.941 29.700 -0.256 0.000 0.916 571 E HN 0.557 nan 8.360 nan 0.000 0.500 572 N N 0.656 119.323 118.700 -0.055 0.000 2.727 572 N HA -0.207 4.533 4.740 0.000 0.000 0.249 572 N C -0.709 174.837 175.510 0.060 0.000 1.048 572 N CA 0.129 53.203 53.050 0.040 0.000 0.714 572 N CB -1.079 37.489 38.487 0.136 0.000 0.959 572 N HN 0.211 nan 8.380 nan 0.000 0.544 573 I N 0.976 121.511 120.570 -0.059 0.000 2.412 573 I HA 0.362 4.532 4.170 0.000 0.000 0.296 573 I C 0.602 176.642 176.117 -0.128 0.000 0.987 573 I CA -0.832 60.436 61.300 -0.054 0.000 1.180 573 I CB 1.509 39.489 38.000 -0.034 0.000 1.340 573 I HN 0.004 nan 8.210 nan 0.000 0.455 574 I N 6.207 126.705 120.570 -0.120 0.000 2.416 574 I HA 0.173 4.343 4.170 0.000 0.000 0.288 574 I C -0.417 175.651 176.117 -0.083 0.000 1.051 574 I CA -0.453 60.734 61.300 -0.189 0.000 1.375 574 I CB 1.056 38.937 38.000 -0.198 0.000 1.407 574 I HN 0.205 nan 8.210 nan 0.000 0.516 575 V N 6.745 126.603 119.914 -0.095 0.000 2.334 575 V HA 0.586 4.706 4.120 0.000 0.000 0.281 575 V C 0.369 176.481 176.094 0.031 0.000 1.016 575 V CA -0.438 61.868 62.300 0.011 0.000 0.832 575 V CB 1.068 32.888 31.823 -0.005 0.000 0.999 575 V HN 0.841 nan 8.190 nan 0.000 0.439 576 A N 3.987 126.870 122.820 0.105 0.000 2.337 576 A HA 0.948 5.268 4.320 0.000 0.000 0.331 576 A C -0.111 177.661 177.584 0.315 0.000 1.137 576 A CA -0.506 51.609 52.037 0.129 0.000 0.807 576 A CB 1.661 20.609 19.000 -0.087 0.000 1.250 576 A HN 0.673 nan 8.150 nan 0.000 0.468 577 S N -0.285 115.649 115.700 0.389 0.000 2.548 577 S HA 0.756 5.226 4.470 0.000 0.000 0.286 577 S C -1.498 173.489 174.600 0.646 0.000 1.098 577 S CA -0.284 58.182 58.200 0.443 0.000 0.930 577 S CB 1.316 64.704 63.200 0.313 0.000 1.070 577 S HN 0.729 nan 8.310 nan 0.000 0.480 578 F N 1.920 122.118 119.950 0.415 0.000 2.573 578 F HA 0.406 4.933 4.527 0.000 0.000 0.316 578 F C -1.519 174.486 175.800 0.343 0.000 1.148 578 F CA -0.692 57.564 58.000 0.425 0.000 0.940 578 F CB 1.408 40.598 39.000 0.316 0.000 1.214 578 F HN 0.409 nan 8.300 nan 0.000 0.448 579 D N 5.024 125.310 120.400 -0.191 0.000 2.456 579 D HA 0.338 4.978 4.640 0.000 0.000 0.219 579 D C 0.394 176.556 176.300 -0.230 0.000 1.126 579 D CA 0.167 54.138 54.000 -0.048 0.000 0.890 579 D CB 1.467 42.333 40.800 0.110 0.000 1.025 579 D HN 0.746 nan 8.370 nan 0.000 0.511 580 G N 1.335 110.113 108.800 -0.037 0.000 2.606 580 G HA2 0.292 4.252 3.960 0.000 0.000 0.262 580 G HA3 0.292 4.252 3.960 0.000 0.000 0.262 580 G C 0.180 175.199 174.900 0.197 0.000 1.394 580 G CA -0.750 44.370 45.100 0.033 0.000 1.044 580 G HN 0.295 nan 8.290 nan 0.000 0.553 581 R N -0.794 119.801 120.500 0.158 0.000 2.638 581 R HA 0.331 4.671 4.340 0.000 0.000 0.268 581 R C 1.318 177.734 176.300 0.195 0.000 1.006 581 R CA 1.502 57.736 56.100 0.224 0.000 1.088 581 R CB 0.295 30.682 30.300 0.144 0.000 0.950 581 R HN 1.092 nan 8.270 nan 0.000 0.419 582 G N 1.028 109.927 108.800 0.165 0.000 2.258 582 G HA2 -0.341 3.619 3.960 0.000 0.000 0.233 582 G HA3 -0.341 3.619 3.960 0.000 0.000 0.233 582 G C 0.199 175.144 174.900 0.075 0.000 1.006 582 G CA 0.178 45.352 45.100 0.124 0.000 0.620 582 G HN 0.749 nan 8.290 nan 0.000 0.511 583 S N 0.360 116.121 115.700 0.102 0.000 2.580 583 S HA 0.608 5.078 4.470 0.000 0.000 0.266 583 S C 0.827 175.423 174.600 -0.007 0.000 1.354 583 S CA 0.594 58.845 58.200 0.084 0.000 1.008 583 S CB 1.673 64.956 63.200 0.139 0.000 0.898 583 S HN 1.745 nan 8.310 nan 0.000 0.555 584 G N -1.103 107.650 108.800 -0.078 0.000 2.667 584 G HA2 0.526 4.486 3.960 0.000 0.000 0.310 584 G HA3 0.526 4.486 3.960 0.000 0.000 0.310 584 G C -1.085 173.665 174.900 -0.250 0.000 1.259 584 G CA -1.063 43.833 45.100 -0.340 0.000 1.019 584 G HN 0.937 nan 8.290 nan 0.000 0.496 585 Y N -2.272 118.005 120.300 -0.038 0.000 4.569 585 Y HA -0.210 4.340 4.550 0.000 0.000 0.237 585 Y C 1.389 177.263 175.900 -0.043 0.000 1.090 585 Y CA 0.978 59.057 58.100 -0.035 0.000 2.052 585 Y CB -2.189 36.270 38.460 -0.001 0.000 1.621 585 Y HN 0.557 nan 8.280 nan 0.000 0.682 586 Q N -0.136 119.651 119.800 -0.022 0.000 2.093 586 Q HA 0.507 4.847 4.340 0.000 0.000 0.217 586 Q C 0.923 176.772 176.000 -0.252 0.000 0.785 586 Q CA 0.225 56.014 55.803 -0.022 0.000 1.038 586 Q CB 1.787 30.521 28.738 -0.006 0.000 1.190 586 Q HN 0.581 nan 8.270 nan 0.000 0.468 587 G N 0.827 109.346 108.800 -0.467 0.000 2.629 587 G HA2 -0.164 3.796 3.960 0.000 0.000 0.686 587 G HA3 -0.164 3.796 3.960 0.000 0.000 0.686 587 G C -0.560 173.952 174.900 -0.646 0.000 1.232 587 G CA -0.620 43.939 45.100 -0.901 0.000 0.803 587 G HN 0.072 nan 8.290 nan 0.000 0.638 588 D N 0.113 120.087 120.400 -0.711 0.000 2.219 588 D HA -0.054 4.586 4.640 0.000 0.000 0.205 588 D C 2.242 178.234 176.300 -0.514 0.000 0.970 588 D CA 1.326 54.843 54.000 -0.805 0.000 0.851 588 D CB 0.076 40.310 40.800 -0.943 0.000 0.943 588 D HN 0.473 nan 8.370 nan 0.000 0.488 589 K N 0.777 120.945 120.400 -0.387 0.000 2.103 589 K HA -0.061 4.259 4.320 0.000 0.000 0.207 589 K C 1.843 178.361 176.600 -0.136 0.000 1.048 589 K CA 0.968 57.127 56.287 -0.213 0.000 0.930 589 K CB -0.262 32.130 32.500 -0.179 0.000 0.716 589 K HN 0.177 nan 8.250 nan 0.000 0.444 590 I N -0.643 119.831 120.570 -0.160 0.000 2.628 590 I HA -0.074 4.096 4.170 0.000 0.000 0.255 590 I C 2.400 178.508 176.117 -0.015 0.000 1.119 590 I CA 0.647 61.921 61.300 -0.043 0.000 1.448 590 I CB -0.117 37.861 38.000 -0.036 0.000 1.133 590 I HN 0.231 nan 8.210 nan 0.000 0.438 591 M N 0.333 119.861 119.600 -0.120 0.000 2.117 591 M HA -0.226 4.254 4.480 0.000 0.000 0.262 591 M C 1.794 178.179 176.300 0.142 0.000 1.065 591 M CA 2.012 57.283 55.300 -0.047 0.000 1.114 591 M CB -0.321 32.154 32.600 -0.207 0.000 1.361 591 M HN 0.252 nan 8.290 nan 0.000 0.408 592 H N -0.517 118.475 119.070 -0.130 0.000 2.543 592 H HA 0.178 4.734 4.556 0.000 0.000 0.269 592 H C 1.806 177.174 175.328 0.066 0.000 1.005 592 H CA 0.057 56.063 56.048 -0.071 0.000 1.146 592 H CB 0.133 29.759 29.762 -0.226 0.000 1.353 592 H HN 0.548 nan 8.280 nan 0.000 0.595 593 A N 1.521 124.454 122.820 0.189 0.000 2.019 593 A HA -0.121 4.199 4.320 0.000 0.000 0.219 593 A C 1.992 179.778 177.584 0.337 0.000 1.164 593 A CA 1.021 53.166 52.037 0.181 0.000 0.644 593 A CB -0.586 18.478 19.000 0.106 0.000 0.805 593 A HN 0.570 nan 8.150 nan 0.000 0.449 594 I N -3.599 117.150 120.570 0.299 0.000 3.914 594 I HA 0.202 4.372 4.170 0.000 0.000 0.333 594 I C 0.270 176.474 176.117 0.145 0.000 1.449 594 I CA -0.565 60.879 61.300 0.239 0.000 1.135 594 I CB -0.452 37.648 38.000 0.167 0.000 1.073 594 I HN 0.142 nan 8.210 nan 0.000 0.401 595 N N 3.045 121.868 118.700 0.206 0.000 2.412 595 N HA -0.049 4.691 4.740 0.000 0.000 0.258 595 N C 0.234 175.773 175.510 0.049 0.000 1.236 595 N CA 0.346 53.507 53.050 0.184 0.000 0.882 595 N CB 0.370 38.960 38.487 0.171 0.000 1.066 595 N HN 0.408 nan 8.380 nan 0.000 0.465 596 R N 0.692 121.193 120.500 0.002 0.000 4.000 596 R HA -0.206 4.134 4.340 0.000 0.000 0.348 596 R C -0.246 175.943 176.300 -0.185 0.000 1.204 596 R CA 0.868 56.931 56.100 -0.062 0.000 0.987 596 R CB -0.835 29.449 30.300 -0.027 0.000 1.446 596 R HN 0.556 nan 8.270 nan 0.000 0.555 597 R N 0.316 120.692 120.500 -0.206 0.000 2.688 597 R HA 0.260 4.600 4.340 0.000 0.000 0.396 597 R C -1.007 175.226 176.300 -0.111 0.000 1.081 597 R CA -0.452 55.381 56.100 -0.445 0.000 1.093 597 R CB 0.508 30.564 30.300 -0.406 0.000 1.338 597 R HN -0.072 nan 8.270 nan 0.000 0.613 598 L N -0.207 121.039 121.223 0.039 0.000 2.485 598 L HA 0.272 4.612 4.340 0.000 0.000 0.275 598 L C 1.526 178.639 176.870 0.404 0.000 1.207 598 L CA 1.630 56.542 54.840 0.120 0.000 0.855 598 L CB 0.670 42.572 42.059 -0.262 0.000 1.114 598 L HN 0.666 nan 8.230 nan 0.000 0.485 599 G N 0.699 109.766 108.800 0.445 0.000 2.132 599 G HA2 -0.284 3.676 3.960 0.000 0.000 0.234 599 G HA3 -0.284 3.676 3.960 0.000 0.000 0.234 599 G C 0.484 175.468 174.900 0.139 0.000 0.989 599 G CA 0.856 46.171 45.100 0.359 0.000 0.676 599 G HN 0.920 nan 8.290 nan 0.000 0.522 600 T N -3.485 111.102 114.554 0.055 0.000 2.638 600 T HA 0.512 4.862 4.350 0.000 0.000 0.169 600 T C 1.623 176.289 174.700 -0.057 0.000 0.790 600 T CA 0.894 62.920 62.100 -0.124 0.000 1.151 600 T CB -0.050 68.543 68.868 -0.457 0.000 2.581 600 T HN 0.205 nan 8.240 nan 0.000 0.391 601 F N 3.228 123.218 119.950 0.067 0.000 2.087 601 F HA -0.043 4.484 4.527 0.000 0.000 0.299 601 F C 2.653 178.493 175.800 0.067 0.000 1.100 601 F CA 1.787 59.818 58.000 0.052 0.000 1.226 601 F CB -1.193 37.839 39.000 0.053 0.000 0.983 601 F HN 0.617 nan 8.300 nan 0.000 0.479 602 E N 0.051 120.422 120.200 0.285 0.000 2.097 602 E HA -0.200 4.150 4.350 0.000 0.000 0.196 602 E C 2.106 178.818 176.600 0.186 0.000 1.000 602 E CA 1.977 58.518 56.400 0.236 0.000 0.804 602 E CB -1.005 28.851 29.700 0.259 0.000 0.740 602 E HN 0.313 nan 8.360 nan 0.000 0.454 603 V N 1.468 121.461 119.914 0.132 0.000 2.346 603 V HA -0.181 3.939 4.120 0.000 0.000 0.244 603 V C 2.174 178.303 176.094 0.057 0.000 1.037 603 V CA 2.016 64.350 62.300 0.056 0.000 1.029 603 V CB -0.524 31.287 31.823 -0.019 0.000 0.663 603 V HN 0.218 nan 8.190 nan 0.000 0.454 604 E N 0.269 120.515 120.200 0.078 0.000 2.077 604 E HA -0.237 4.113 4.350 0.000 0.000 0.193 604 E C 1.902 178.524 176.600 0.038 0.000 0.989 604 E CA 1.516 57.955 56.400 0.066 0.000 0.800 604 E CB -0.198 29.567 29.700 0.110 0.000 0.746 604 E HN 0.568 nan 8.360 nan 0.000 0.452 605 D N 0.400 120.840 120.400 0.066 0.000 2.178 605 D HA -0.134 4.506 4.640 0.000 0.000 0.201 605 D C 1.951 178.221 176.300 -0.051 0.000 0.980 605 D CA 0.773 54.779 54.000 0.010 0.000 0.842 605 D CB -0.089 40.785 40.800 0.124 0.000 0.948 605 D HN 0.098 nan 8.370 nan 0.000 0.472 606 Q N 0.050 119.888 119.800 0.065 0.000 2.123 606 Q HA 0.006 4.346 4.340 0.000 0.000 0.199 606 Q C 2.526 178.558 176.000 0.053 0.000 0.966 606 Q CA 0.432 56.281 55.803 0.076 0.000 0.845 606 Q CB -0.023 28.789 28.738 0.123 0.000 0.907 606 Q HN 0.428 nan 8.270 nan 0.000 0.439 607 I N 0.681 121.296 120.570 0.076 0.000 2.202 607 I HA -0.212 3.958 4.170 0.000 0.000 0.242 607 I C 2.316 178.386 176.117 -0.078 0.000 1.091 607 I CA 0.867 62.250 61.300 0.138 0.000 1.368 607 I CB -0.186 37.884 38.000 0.117 0.000 1.058 607 I HN 0.098 nan 8.210 nan 0.000 0.410 608 E N 1.126 121.225 120.200 -0.167 0.000 2.118 608 E HA -0.216 4.134 4.350 0.000 0.000 0.195 608 E C 2.280 178.583 176.600 -0.495 0.000 0.992 608 E CA 1.512 57.746 56.400 -0.277 0.000 0.804 608 E CB -0.202 29.343 29.700 -0.258 0.000 0.741 608 E HN 0.473 nan 8.360 nan 0.000 0.458 609 A N 1.193 123.571 122.820 -0.736 0.000 1.883 609 A HA -0.160 4.160 4.320 0.000 0.000 0.217 609 A C 2.439 179.401 177.584 -1.036 0.000 1.186 609 A CA 2.379 53.664 52.037 -1.254 0.000 0.624 609 A CB -0.712 17.398 19.000 -1.484 0.000 0.822 609 A HN 0.297 nan 8.150 nan 0.000 0.444 610 A N -0.186 122.360 122.820 -0.457 0.000 1.908 610 A HA -0.201 4.119 4.320 0.000 0.000 0.218 610 A C 2.256 179.680 177.584 -0.267 0.000 1.181 610 A CA 1.617 53.526 52.037 -0.215 0.000 0.627 610 A CB -0.509 18.375 19.000 -0.194 0.000 0.818 610 A HN 0.580 nan 8.150 nan 0.000 0.445 611 R N -0.914 119.405 120.500 -0.302 0.000 2.080 611 R HA -0.145 4.195 4.340 0.000 0.000 0.236 611 R C 2.399 178.547 176.300 -0.254 0.000 1.137 611 R CA 1.465 57.419 56.100 -0.244 0.000 0.943 611 R CB -0.438 29.734 30.300 -0.213 0.000 0.846 611 R HN 0.530 nan 8.270 nan 0.000 0.431 612 Q N 0.030 119.609 119.800 -0.368 0.000 2.096 612 Q HA -0.144 4.196 4.340 0.000 0.000 0.204 612 Q C 2.049 177.902 176.000 -0.244 0.000 0.982 612 Q CA 1.478 57.073 55.803 -0.346 0.000 0.850 612 Q CB -0.256 28.195 28.738 -0.478 0.000 0.901 612 Q HN 0.291 nan 8.270 nan 0.000 0.422 613 F N 0.377 120.169 119.950 -0.263 0.000 2.234 613 F HA -0.077 4.450 4.527 0.000 0.000 0.299 613 F C 2.658 178.285 175.800 -0.288 0.000 1.087 613 F CA 0.850 58.695 58.000 -0.259 0.000 1.340 613 F CB -1.070 37.837 39.000 -0.155 0.000 1.031 613 F HN 0.013 nan 8.300 nan 0.000 0.500 614 S N -0.015 115.650 115.700 -0.057 0.000 2.383 614 S HA -0.156 4.314 4.470 0.000 0.000 0.227 614 S C 2.035 176.530 174.600 -0.174 0.000 1.026 614 S CA 1.061 59.190 58.200 -0.119 0.000 0.981 614 S CB -0.201 62.931 63.200 -0.114 0.000 0.818 614 S HN 0.335 nan 8.310 nan 0.000 0.472 615 K N 0.417 120.718 120.400 -0.164 0.000 2.280 615 K HA 0.011 4.331 4.320 0.000 0.000 0.202 615 K C 1.843 178.326 176.600 -0.194 0.000 1.047 615 K CA 1.214 57.409 56.287 -0.153 0.000 0.942 615 K CB -0.238 32.185 32.500 -0.129 0.000 0.739 615 K HN 0.476 nan 8.250 nan 0.000 0.457 616 M N -0.467 118.954 119.600 -0.298 0.000 2.632 616 M HA -0.030 4.450 4.480 0.000 0.000 0.256 616 M C 1.181 177.165 176.300 -0.525 0.000 1.080 616 M CA 1.068 56.107 55.300 -0.434 0.000 1.084 616 M CB 0.067 32.273 32.600 -0.656 0.000 1.439 616 M HN 0.473 nan 8.290 nan 0.000 0.509 617 G N 0.869 109.427 108.800 -0.404 0.000 2.179 617 G HA2 -0.295 3.665 3.960 0.000 0.000 0.260 617 G HA3 -0.295 3.665 3.960 0.000 0.000 0.260 617 G C 0.322 175.158 174.900 -0.107 0.000 0.977 617 G CA 0.444 45.412 45.100 -0.220 0.000 0.641 617 G HN 0.629 nan 8.290 nan 0.000 0.533 618 F N -0.378 119.631 119.950 0.098 0.000 2.735 618 F HA 0.754 5.281 4.527 0.000 0.000 0.304 618 F C -0.029 175.893 175.800 0.203 0.000 1.119 618 F CA -1.835 56.264 58.000 0.165 0.000 1.280 618 F CB -0.062 39.104 39.000 0.276 0.000 0.994 618 F HN 0.076 nan 8.300 nan 0.000 0.520 619 V N 1.106 121.118 119.914 0.164 0.000 2.495 619 V HA 0.272 4.392 4.120 0.000 0.000 0.298 619 V C -0.745 175.371 176.094 0.037 0.000 1.031 619 V CA -0.747 61.639 62.300 0.144 0.000 0.871 619 V CB 1.831 33.693 31.823 0.064 0.000 0.988 619 V HN 0.105 nan 8.190 nan 0.000 0.432 620 D N 3.263 123.671 120.400 0.014 0.000 2.352 620 D HA 0.130 4.770 4.640 0.000 0.000 0.245 620 D C 1.118 177.386 176.300 -0.054 0.000 1.224 620 D CA 0.311 54.286 54.000 -0.041 0.000 0.879 620 D CB 0.447 41.198 40.800 -0.082 0.000 1.057 620 D HN 0.584 nan 8.370 nan 0.000 0.491 621 N N 2.535 121.203 118.700 -0.053 0.000 2.334 621 N HA -0.160 4.580 4.740 0.000 0.000 0.187 621 N C 0.916 176.396 175.510 -0.049 0.000 1.016 621 N CA 0.786 53.798 53.050 -0.063 0.000 0.879 621 N CB 0.307 38.757 38.487 -0.062 0.000 0.965 621 N HN 0.397 nan 8.380 nan 0.000 0.438 622 K N 0.382 120.761 120.400 -0.035 0.000 2.393 622 K HA 0.113 4.433 4.320 0.000 0.000 0.193 622 K C 0.131 176.748 176.600 0.029 0.000 1.026 622 K CA 0.387 56.671 56.287 -0.005 0.000 1.064 622 K CB 0.500 32.996 32.500 -0.005 0.000 0.833 622 K HN 0.063 nan 8.250 nan 0.000 0.521 623 R N 1.255 121.743 120.500 -0.020 0.000 2.653 623 R HA 0.349 4.689 4.340 0.000 0.000 0.269 623 R C -1.001 175.264 176.300 -0.059 0.000 1.603 623 R CA -0.065 56.016 56.100 -0.031 0.000 1.671 623 R CB 0.642 30.731 30.300 -0.352 0.000 1.300 623 R HN -0.015 nan 8.270 nan 0.000 0.668 624 I N 1.260 121.931 120.570 0.168 0.000 2.354 624 I HA 0.532 4.702 4.170 0.000 0.000 0.286 624 I C 0.186 176.604 176.117 0.501 0.000 1.007 624 I CA -0.705 60.726 61.300 0.219 0.000 1.167 624 I CB 1.675 39.656 38.000 -0.031 0.000 1.320 624 I HN 0.350 nan 8.210 nan 0.000 0.458 625 A N 7.411 130.642 122.820 0.686 0.000 2.284 625 A HA 0.932 5.252 4.320 0.000 0.000 0.317 625 A C -0.765 177.185 177.584 0.611 0.000 1.120 625 A CA -0.665 51.742 52.037 0.616 0.000 0.900 625 A CB 1.921 21.168 19.000 0.412 0.000 1.319 625 A HN 0.734 nan 8.150 nan 0.000 0.494 626 I N -0.230 120.591 120.570 0.419 0.000 2.753 626 I HA 0.564 4.734 4.170 0.000 0.000 0.291 626 I C -2.206 174.143 176.117 0.387 0.000 1.425 626 I CA -0.554 60.910 61.300 0.273 0.000 1.039 626 I CB 1.524 39.346 38.000 -0.296 0.000 1.349 626 I HN 0.965 nan 8.210 nan 0.000 0.430 627 W N 7.308 128.726 121.300 0.197 0.000 3.167 627 W HA 0.866 5.526 4.660 0.000 0.000 0.324 627 W C -1.302 175.367 176.519 0.249 0.000 1.230 627 W CA -0.962 56.519 57.345 0.227 0.000 1.184 627 W CB 1.131 30.786 29.460 0.325 0.000 1.414 627 W HN 0.810 nan 8.180 nan 0.000 0.551 628 G N 0.954 109.707 108.800 -0.079 0.000 2.682 628 G HA2 0.589 4.549 3.960 0.000 0.000 0.290 628 G HA3 0.589 4.549 3.960 0.000 0.000 0.290 628 G C -2.761 172.100 174.900 -0.065 0.000 1.425 628 G CA -0.698 44.222 45.100 -0.301 0.000 0.807 628 G HN 0.603 nan 8.290 nan 0.000 0.482 629 W N 0.523 121.714 121.300 -0.183 0.000 2.883 629 W HA 0.572 5.232 4.660 0.000 0.000 0.335 629 W C 0.739 177.273 176.519 0.025 0.000 1.083 629 W CA 0.210 57.525 57.345 -0.049 0.000 1.233 629 W CB 1.856 31.296 29.460 -0.033 0.000 1.412 629 W HN 1.169 nan 8.180 nan 0.000 0.490 630 S N 2.790 118.720 115.700 0.382 0.000 4.150 630 S HA -0.434 4.036 4.470 0.000 0.000 0.575 630 S C 1.159 175.820 174.600 0.100 0.000 1.878 630 S CA 2.044 60.449 58.200 0.342 0.000 4.245 630 S CB -1.839 61.706 63.200 0.575 0.000 0.231 630 S HN 0.751 nan 8.310 nan 0.000 0.469 631 Y N 2.518 122.751 120.300 -0.112 0.000 2.274 631 Y HA 0.073 4.623 4.550 0.000 0.000 0.290 631 Y C 2.365 178.142 175.900 -0.206 0.000 1.145 631 Y CA 2.384 60.327 58.100 -0.261 0.000 1.203 631 Y CB -0.978 37.078 38.460 -0.673 0.000 0.984 631 Y HN 0.509 nan 8.280 nan 0.000 0.533 632 G N -1.009 107.759 108.800 -0.054 0.000 2.422 632 G HA2 -0.210 3.750 3.960 0.000 0.000 0.218 632 G HA3 -0.210 3.750 3.960 0.000 0.000 0.218 632 G C 1.910 176.819 174.900 0.014 0.000 1.140 632 G CA 0.714 45.828 45.100 0.022 0.000 0.775 632 G HN 0.557 nan 8.290 nan 0.000 0.545 633 G N -0.112 108.705 108.800 0.028 0.000 2.402 633 G HA2 -0.224 3.736 3.960 0.000 0.000 0.216 633 G HA3 -0.224 3.736 3.960 0.000 0.000 0.216 633 G C 1.606 176.511 174.900 0.008 0.000 1.162 633 G CA 1.071 46.182 45.100 0.018 0.000 0.777 633 G HN 0.408 nan 8.290 nan 0.000 0.539 634 Y N 1.402 121.582 120.300 -0.201 0.000 2.097 634 Y HA -0.145 4.405 4.550 0.000 0.000 0.282 634 Y C 2.761 178.550 175.900 -0.184 0.000 1.152 634 Y CA 1.710 59.643 58.100 -0.278 0.000 1.136 634 Y CB -0.531 37.610 38.460 -0.532 0.000 0.975 634 Y HN 0.031 nan 8.280 nan 0.000 0.498 635 V N -0.271 119.475 119.914 -0.282 0.000 2.295 635 V HA -0.316 3.804 4.120 0.000 0.000 0.246 635 V C 2.335 178.306 176.094 -0.206 0.000 1.049 635 V CA 2.401 64.539 62.300 -0.271 0.000 1.024 635 V CB -1.176 30.640 31.823 -0.013 0.000 0.648 635 V HN 0.497 nan 8.190 nan 0.000 0.447 636 T N 0.075 114.565 114.554 -0.108 0.000 2.635 636 T HA -0.230 4.120 4.350 0.000 0.000 0.267 636 T C 2.137 176.782 174.700 -0.091 0.000 1.040 636 T CA 2.146 64.198 62.100 -0.080 0.000 1.156 636 T CB -0.346 68.551 68.868 0.049 0.000 0.863 636 T HN 0.531 nan 8.240 nan 0.000 0.430 637 S N 1.185 116.871 115.700 -0.023 0.000 2.359 637 S HA -0.085 4.385 4.470 0.000 0.000 0.224 637 S C 2.159 176.690 174.600 -0.115 0.000 1.035 637 S CA 1.118 59.336 58.200 0.030 0.000 1.018 637 S CB -0.353 62.902 63.200 0.092 0.000 0.876 637 S HN 0.316 nan 8.310 nan 0.000 0.448 638 M N 0.886 120.325 119.600 -0.269 0.000 2.159 638 M HA -0.040 4.440 4.480 0.000 0.000 0.263 638 M C 2.226 178.382 176.300 -0.240 0.000 1.063 638 M CA 1.083 56.208 55.300 -0.292 0.000 1.110 638 M CB -1.498 30.819 32.600 -0.470 0.000 1.374 638 M HN 0.184 nan 8.290 nan 0.000 0.411 639 V N 0.526 120.293 119.914 -0.246 0.000 2.270 639 V HA -0.238 3.882 4.120 0.000 0.000 0.245 639 V C 2.566 178.501 176.094 -0.264 0.000 1.043 639 V CA 1.356 63.523 62.300 -0.221 0.000 1.014 639 V CB -0.654 30.987 31.823 -0.302 0.000 0.645 639 V HN 0.386 nan 8.190 nan 0.000 0.447 640 L N 0.474 121.479 121.223 -0.364 0.000 2.081 640 L HA -0.141 4.199 4.340 0.000 0.000 0.212 640 L C 1.978 178.360 176.870 -0.814 0.000 1.080 640 L CA 1.693 56.229 54.840 -0.507 0.000 0.754 640 L CB -0.707 41.018 42.059 -0.557 0.000 0.893 640 L HN 0.515 nan 8.230 nan 0.000 0.433 641 G N -1.733 106.532 108.800 -0.892 0.000 3.814 641 G HA2 0.124 4.084 3.960 0.000 0.000 0.293 641 G HA3 0.124 4.084 3.960 0.000 0.000 0.293 641 G C 1.105 175.844 174.900 -0.267 0.000 1.243 641 G CA 0.466 45.138 45.100 -0.712 0.000 1.053 641 G HN 0.400 nan 8.290 nan 0.000 0.562 642 S N -1.523 114.049 115.700 -0.214 0.000 2.503 642 S HA 0.353 4.823 4.470 0.000 0.000 0.215 642 S C 1.907 176.466 174.600 -0.068 0.000 1.003 642 S CA 0.983 59.119 58.200 -0.106 0.000 0.910 642 S CB 0.236 63.392 63.200 -0.072 0.000 0.790 642 S HN 1.351 nan 8.310 nan 0.000 0.514 643 G N 0.686 109.440 108.800 -0.078 0.000 2.176 643 G HA2 -0.161 3.799 3.960 0.000 0.000 0.253 643 G HA3 -0.161 3.799 3.960 0.000 0.000 0.253 643 G C 0.386 175.272 174.900 -0.023 0.000 0.979 643 G CA 0.195 45.268 45.100 -0.045 0.000 0.641 643 G HN 1.364 nan 8.290 nan 0.000 0.530 644 S N 1.081 116.775 115.700 -0.009 0.000 3.919 644 S HA 0.598 5.068 4.470 0.000 0.000 0.245 644 S C 1.596 176.202 174.600 0.010 0.000 1.344 644 S CA 0.864 59.067 58.200 0.005 0.000 0.896 644 S CB -0.242 62.977 63.200 0.032 0.000 1.557 644 S HN 1.777 nan 8.310 nan 0.000 0.468 645 G N 1.300 110.093 108.800 -0.012 0.000 2.963 645 G HA2 -0.035 3.925 3.960 0.000 0.000 0.205 645 G HA3 -0.035 3.925 3.960 0.000 0.000 0.205 645 G C 1.169 176.039 174.900 -0.050 0.000 1.167 645 G CA 0.884 45.975 45.100 -0.015 0.000 0.785 645 G HN 0.587 nan 8.290 nan 0.000 0.566 646 V N -0.629 119.221 119.914 -0.106 0.000 2.358 646 V HA 0.054 4.174 4.120 0.000 0.000 0.246 646 V C 1.051 176.886 176.094 -0.432 0.000 1.047 646 V CA 0.924 63.030 62.300 -0.324 0.000 1.035 646 V CB -0.466 31.036 31.823 -0.536 0.000 0.658 646 V HN 0.286 nan 8.190 nan 0.000 0.452 647 F N 0.113 120.078 119.950 0.025 0.000 2.408 647 F HA 0.371 4.898 4.527 0.000 0.000 0.344 647 F C 1.133 176.976 175.800 0.072 0.000 1.112 647 F CA -0.409 57.632 58.000 0.068 0.000 1.096 647 F CB 1.212 40.254 39.000 0.070 0.000 1.129 647 F HN -0.213 nan 8.300 nan 0.000 0.486 648 K N 1.988 122.549 120.400 0.268 0.000 2.044 648 K HA 0.055 4.375 4.320 0.000 0.000 0.204 648 K C 0.128 176.850 176.600 0.204 0.000 1.045 648 K CA 1.045 57.450 56.287 0.196 0.000 0.951 648 K CB 0.178 32.794 32.500 0.194 0.000 0.738 648 K HN 0.794 nan 8.250 nan 0.000 0.443 649 c N -1.895 116.852 118.600 0.245 0.000 3.154 649 c HA 0.939 5.509 4.570 0.000 0.000 0.312 649 c C -0.011 174.298 174.090 0.365 0.000 1.349 649 c CA -0.619 55.873 56.329 0.272 0.000 1.518 649 c CB 1.067 43.615 42.510 0.064 0.000 1.934 649 c HN 0.440 nan 8.230 nan 0.000 0.462 650 G N -0.028 109.073 108.800 0.501 0.000 2.673 650 G HA2 0.701 4.661 3.960 0.000 0.000 0.292 650 G HA3 0.701 4.661 3.960 0.000 0.000 0.292 650 G C -1.878 173.268 174.900 0.409 0.000 1.450 650 G CA -0.673 44.689 45.100 0.436 0.000 0.837 650 G HN 0.958 nan 8.290 nan 0.000 0.505 651 I N 0.579 121.353 120.570 0.341 0.000 2.498 651 I HA 0.641 4.811 4.170 0.000 0.000 0.290 651 I C 0.053 176.291 176.117 0.202 0.000 1.032 651 I CA -1.068 60.316 61.300 0.141 0.000 1.073 651 I CB 2.337 40.426 38.000 0.148 0.000 1.251 651 I HN 0.657 nan 8.210 nan 0.000 0.426 652 A N 6.301 129.125 122.820 0.006 0.000 2.311 652 A HA 0.758 5.078 4.320 0.000 0.000 0.306 652 A C -0.801 176.706 177.584 -0.129 0.000 1.189 652 A CA -0.510 51.542 52.037 0.025 0.000 0.791 652 A CB 1.157 20.227 19.000 0.116 0.000 1.172 652 A HN 0.438 nan 8.150 nan 0.000 0.481 653 V N 2.165 121.963 119.914 -0.193 0.000 2.370 653 V HA 0.563 4.683 4.120 0.000 0.000 0.283 653 V C 0.994 176.710 176.094 -0.630 0.000 1.023 653 V CA 0.365 62.336 62.300 -0.547 0.000 0.857 653 V CB 0.714 31.921 31.823 -1.025 0.000 0.985 653 V HN 2.108 nan 8.190 nan 0.000 0.443 654 A N 5.602 128.034 122.820 -0.646 0.000 2.640 654 A HA -0.105 4.215 4.320 0.000 0.000 0.300 654 A C -1.567 175.844 177.584 -0.290 0.000 1.499 654 A CA 0.463 52.018 52.037 -0.803 0.000 0.759 654 A CB -1.636 17.064 19.000 -0.501 0.000 1.048 654 A HN 0.638 nan 8.150 nan 0.000 0.450 655 P HA 0.384 nan 4.420 nan 0.000 0.274 655 P C 0.053 177.295 177.300 -0.097 0.000 1.231 655 P CA -0.093 62.961 63.100 -0.075 0.000 0.790 655 P CB 1.279 32.964 31.700 -0.025 0.000 0.951 656 V N 2.470 122.242 119.914 -0.237 0.000 2.498 656 V HA 0.075 4.195 4.120 0.000 0.000 0.279 656 V C 1.725 177.602 176.094 -0.363 0.000 1.048 656 V CA 0.662 62.676 62.300 -0.477 0.000 0.967 656 V CB 0.851 32.027 31.823 -1.078 0.000 0.988 656 V HN 0.793 nan 8.190 nan 0.000 0.473 657 S N 4.732 120.267 115.700 -0.274 0.000 2.545 657 S HA 0.200 4.670 4.470 0.000 0.000 0.232 657 S C 0.572 174.986 174.600 -0.310 0.000 1.070 657 S CA -0.339 57.763 58.200 -0.164 0.000 0.923 657 S CB 0.241 63.414 63.200 -0.045 0.000 0.806 657 S HN 0.813 nan 8.310 nan 0.000 0.506 658 R N -1.220 118.985 120.500 -0.493 0.000 2.548 658 R HA 0.488 4.828 4.340 0.000 0.000 0.280 658 R C -0.849 175.096 176.300 -0.591 0.000 1.061 658 R CA -0.897 54.845 56.100 -0.596 0.000 0.915 658 R CB -0.016 29.897 30.300 -0.645 0.000 1.210 658 R HN 0.143 nan 8.270 nan 0.000 0.442 659 W N 1.438 122.659 121.300 -0.131 0.000 2.364 659 W HA -0.068 4.592 4.660 0.000 0.000 0.281 659 W C 1.176 177.837 176.519 0.237 0.000 1.219 659 W CA 0.935 58.306 57.345 0.044 0.000 1.220 659 W CB 0.183 29.609 29.460 -0.057 0.000 1.127 659 W HN 0.731 nan 8.180 nan 0.000 0.556 660 E N -1.060 119.296 120.200 0.260 0.000 2.409 660 E HA -0.180 4.170 4.350 0.000 0.000 0.198 660 E C 1.283 178.016 176.600 0.222 0.000 1.024 660 E CA 0.687 57.178 56.400 0.151 0.000 0.861 660 E CB -0.161 29.515 29.700 -0.040 0.000 0.788 660 E HN 0.362 nan 8.360 nan 0.000 0.521 661 Y N -1.526 118.854 120.300 0.134 0.000 2.503 661 Y HA 0.052 4.602 4.550 0.000 0.000 0.278 661 Y C 0.687 176.695 175.900 0.179 0.000 1.111 661 Y CA -0.252 57.905 58.100 0.094 0.000 1.270 661 Y CB -0.302 38.155 38.460 -0.006 0.000 1.063 661 Y HN 0.004 nan 8.280 nan 0.000 0.548 662 Y N 2.197 122.643 120.300 0.244 0.000 2.326 662 Y HA 0.247 4.797 4.550 0.000 0.000 0.324 662 Y C 0.416 176.519 175.900 0.338 0.000 1.291 662 Y CA -1.997 56.252 58.100 0.249 0.000 1.348 662 Y CB 0.276 38.917 38.460 0.302 0.000 1.294 662 Y HN 0.217 nan 8.280 nan 0.000 0.525 663 D N -0.310 119.809 120.400 -0.469 0.000 2.400 663 D HA 0.039 4.679 4.640 0.000 0.000 0.238 663 D C 0.979 177.241 176.300 -0.064 0.000 1.157 663 D CA 0.511 54.300 54.000 -0.352 0.000 0.889 663 D CB 0.786 41.169 40.800 -0.694 0.000 1.199 663 D HN 0.476 nan 8.370 nan 0.000 0.436 664 S N 1.354 117.035 115.700 -0.031 0.000 2.356 664 S HA -0.217 4.253 4.470 0.000 0.000 0.223 664 S C 1.892 176.510 174.600 0.029 0.000 1.032 664 S CA 1.135 59.369 58.200 0.058 0.000 1.005 664 S CB -0.953 62.292 63.200 0.076 0.000 0.867 664 S HN 0.435 nan 8.310 nan 0.000 0.449 665 V N 1.109 120.974 119.914 -0.082 0.000 2.233 665 V HA -0.200 3.920 4.120 0.000 0.000 0.247 665 V C 2.311 178.313 176.094 -0.153 0.000 1.050 665 V CA 2.363 64.533 62.300 -0.217 0.000 1.010 665 V CB -1.155 30.389 31.823 -0.465 0.000 0.637 665 V HN 0.604 nan 8.190 nan 0.000 0.444 666 Y N 1.312 121.524 120.300 -0.147 0.000 2.089 666 Y HA -0.278 4.272 4.550 0.000 0.000 0.282 666 Y C 2.737 178.594 175.900 -0.072 0.000 1.139 666 Y CA 2.485 60.566 58.100 -0.031 0.000 1.123 666 Y CB -0.769 37.859 38.460 0.280 0.000 0.980 666 Y HN 0.251 nan 8.280 nan 0.000 0.493 667 T N 0.343 115.124 114.554 0.379 0.000 2.652 667 T HA -0.224 4.126 4.350 0.000 0.000 0.267 667 T C 1.585 176.261 174.700 -0.039 0.000 1.039 667 T CA 1.990 64.246 62.100 0.260 0.000 1.153 667 T CB -0.376 68.789 68.868 0.494 0.000 0.863 667 T HN 0.444 nan 8.240 nan 0.000 0.428 668 E N 0.431 120.635 120.200 0.007 0.000 2.265 668 E HA -0.098 4.252 4.350 0.000 0.000 0.196 668 E C 2.312 178.784 176.600 -0.212 0.000 0.996 668 E CA 0.444 56.835 56.400 -0.015 0.000 0.832 668 E CB -0.106 29.632 29.700 0.063 0.000 0.756 668 E HN 0.332 nan 8.360 nan 0.000 0.491 669 R N 0.110 120.318 120.500 -0.486 0.000 2.091 669 R HA -0.194 4.146 4.340 0.000 0.000 0.238 669 R C 1.302 177.049 176.300 -0.922 0.000 1.136 669 R CA 1.666 57.281 56.100 -0.808 0.000 0.959 669 R CB -0.035 29.442 30.300 -1.372 0.000 0.856 669 R HN 0.227 nan 8.270 nan 0.000 0.437 670 Y N -1.972 117.991 120.300 -0.562 0.000 2.524 670 Y HA 0.214 4.764 4.550 0.000 0.000 0.270 670 Y C 1.775 177.479 175.900 -0.327 0.000 1.094 670 Y CA 0.069 57.844 58.100 -0.543 0.000 1.276 670 Y CB 0.310 38.342 38.460 -0.713 0.000 1.130 670 Y HN -0.025 nan 8.280 nan 0.000 0.536 671 M N -0.370 119.109 119.600 -0.203 0.000 2.414 671 M HA 0.350 4.830 4.480 0.000 0.000 0.251 671 M C 1.108 177.410 176.300 0.003 0.000 1.116 671 M CA 0.835 56.016 55.300 -0.198 0.000 1.056 671 M CB -0.489 31.802 32.600 -0.514 0.000 1.388 671 M HN 0.349 nan 8.290 nan 0.000 0.487 672 G N 1.749 110.571 108.800 0.036 0.000 2.645 672 G HA2 -0.216 3.744 3.960 0.000 0.000 0.239 672 G HA3 -0.216 3.744 3.960 0.000 0.000 0.239 672 G C -0.801 174.233 174.900 0.223 0.000 1.331 672 G CA -0.838 44.324 45.100 0.103 0.000 0.890 672 G HN 0.254 nan 8.290 nan 0.000 0.572 673 L N 2.491 123.816 121.223 0.170 0.000 2.350 673 L HA 0.474 4.814 4.340 0.000 0.000 0.275 673 L C -1.083 175.829 176.870 0.069 0.000 1.099 673 L CA -1.455 53.453 54.840 0.114 0.000 0.808 673 L CB 1.236 43.321 42.059 0.043 0.000 1.149 673 L HN 0.442 nan 8.230 nan 0.000 0.442 674 P HA 0.059 nan 4.420 nan 0.000 0.228 674 P C -0.529 176.635 177.300 -0.227 0.000 1.748 674 P CA -0.136 62.589 63.100 -0.624 0.000 0.909 674 P CB -0.446 30.580 31.700 -1.123 0.000 1.882 675 T N -3.299 111.211 114.554 -0.072 0.000 2.932 675 T HA 0.451 4.801 4.350 0.000 0.000 0.289 675 T C -1.939 172.766 174.700 0.008 0.000 1.039 675 T CA -2.411 59.670 62.100 -0.032 0.000 1.024 675 T CB 2.124 70.983 68.868 -0.016 0.000 1.090 675 T HN -0.216 nan 8.240 nan 0.000 0.496 676 P HA -0.063 nan 4.420 nan 0.000 0.220 676 P C 0.594 177.911 177.300 0.028 0.000 1.148 676 P CA 1.124 64.237 63.100 0.023 0.000 0.803 676 P CB 0.136 31.844 31.700 0.014 0.000 0.782 677 E N -0.825 119.388 120.200 0.022 0.000 2.435 677 E HA -0.038 4.312 4.350 0.000 0.000 0.195 677 E C 1.425 178.044 176.600 0.032 0.000 1.029 677 E CA 0.538 56.951 56.400 0.022 0.000 0.865 677 E CB -0.321 29.387 29.700 0.014 0.000 0.833 677 E HN 0.312 nan 8.360 nan 0.000 0.510 678 D N -0.016 120.410 120.400 0.044 0.000 3.180 678 D HA 0.101 4.741 4.640 0.000 0.000 0.226 678 D C 0.157 176.514 176.300 0.095 0.000 1.252 678 D CA -0.083 53.955 54.000 0.063 0.000 1.287 678 D CB -0.052 40.789 40.800 0.068 0.000 0.919 678 D HN 0.008 nan 8.370 nan 0.000 0.186 679 N N 0.127 118.918 118.700 0.151 0.000 2.291 679 N HA 0.046 4.786 4.740 0.000 0.000 0.244 679 N C 1.394 177.101 175.510 0.328 0.000 1.216 679 N CA -0.151 53.032 53.050 0.220 0.000 0.879 679 N CB 0.711 39.340 38.487 0.237 0.000 1.167 679 N HN 0.024 nan 8.380 nan 0.000 0.515 680 L N 1.270 122.616 121.223 0.206 0.000 2.013 680 L HA -0.223 4.117 4.340 0.000 0.000 0.212 680 L C 1.552 178.540 176.870 0.196 0.000 1.073 680 L CA 2.014 56.951 54.840 0.162 0.000 0.753 680 L CB -0.510 41.572 42.059 0.039 0.000 0.890 680 L HN 0.203 nan 8.230 nan 0.000 0.432 681 D N -1.284 119.205 120.400 0.148 0.000 2.126 681 D HA -0.301 4.339 4.640 0.000 0.000 0.190 681 D C 2.069 178.455 176.300 0.144 0.000 1.001 681 D CA 2.050 56.124 54.000 0.124 0.000 0.841 681 D CB -0.325 40.538 40.800 0.106 0.000 0.949 681 D HN 0.599 nan 8.370 nan 0.000 0.446 682 H N -0.737 118.397 119.070 0.107 0.000 2.457 682 H HA -0.089 4.467 4.556 0.000 0.000 0.294 682 H C 1.777 177.167 175.328 0.104 0.000 1.064 682 H CA 1.152 57.241 56.048 0.069 0.000 1.330 682 H CB -0.299 29.469 29.762 0.010 0.000 1.395 682 H HN 0.186 nan 8.280 nan 0.000 0.541 683 Y N 0.170 120.447 120.300 -0.038 0.000 2.145 683 Y HA -0.172 4.378 4.550 0.000 0.000 0.286 683 Y C 2.404 178.263 175.900 -0.068 0.000 1.145 683 Y CA 1.445 59.536 58.100 -0.016 0.000 1.148 683 Y CB 0.147 38.633 38.460 0.042 0.000 0.981 683 Y HN 0.121 nan 8.280 nan 0.000 0.507 684 R N -0.300 120.268 120.500 0.112 0.000 2.115 684 R HA -0.112 4.228 4.340 0.000 0.000 0.226 684 R C 1.662 177.948 176.300 -0.023 0.000 1.100 684 R CA 1.079 57.196 56.100 0.028 0.000 0.980 684 R CB -1.058 29.261 30.300 0.030 0.000 0.875 684 R HN 0.506 nan 8.270 nan 0.000 0.445 685 N N 0.888 119.554 118.700 -0.057 0.000 2.446 685 N HA -0.080 4.660 4.740 0.000 0.000 0.179 685 N C 0.227 175.674 175.510 -0.105 0.000 1.054 685 N CA 0.503 53.516 53.050 -0.061 0.000 0.905 685 N CB 0.270 38.751 38.487 -0.011 0.000 0.973 685 N HN 0.075 nan 8.380 nan 0.000 0.448 686 S N -0.141 115.445 115.700 -0.189 0.000 2.552 686 S HA 0.074 4.544 4.470 0.000 0.000 0.246 686 S C 0.377 175.018 174.600 0.067 0.000 1.019 686 S CA -0.778 57.378 58.200 -0.074 0.000 1.045 686 S CB -0.097 63.004 63.200 -0.166 0.000 0.784 686 S HN 0.211 nan 8.310 nan 0.000 0.453 687 T N -2.000 112.549 114.554 -0.009 0.000 2.918 687 T HA 0.531 4.881 4.350 0.000 0.000 0.283 687 T C 1.208 175.897 174.700 -0.018 0.000 1.001 687 T CA -0.655 61.423 62.100 -0.037 0.000 1.041 687 T CB 1.349 70.159 68.868 -0.097 0.000 1.028 687 T HN -0.033 nan 8.240 nan 0.000 0.511 688 V N 1.875 121.770 119.914 -0.032 0.000 2.591 688 V HA -0.099 4.021 4.120 0.000 0.000 0.249 688 V C 2.654 178.701 176.094 -0.077 0.000 1.053 688 V CA 1.191 63.464 62.300 -0.046 0.000 1.068 688 V CB -0.790 31.000 31.823 -0.056 0.000 0.689 688 V HN 0.830 nan 8.190 nan 0.000 0.462 689 M N 1.204 120.745 119.600 -0.099 0.000 2.149 689 M HA -0.121 4.359 4.480 0.000 0.000 0.261 689 M C 2.387 178.644 176.300 -0.072 0.000 1.064 689 M CA 2.149 57.382 55.300 -0.112 0.000 1.102 689 M CB -2.084 30.464 32.600 -0.087 0.000 1.369 689 M HN 0.577 nan 8.290 nan 0.000 0.408 690 S N 0.543 116.215 115.700 -0.046 0.000 2.537 690 S HA -0.075 4.395 4.470 0.000 0.000 0.240 690 S C 1.672 176.270 174.600 -0.003 0.000 0.981 690 S CA 0.680 58.865 58.200 -0.024 0.000 0.948 690 S CB -0.465 62.722 63.200 -0.022 0.000 0.759 690 S HN 0.623 nan 8.310 nan 0.000 0.531 691 R N 0.011 120.521 120.500 0.017 0.000 2.472 691 R HA 0.506 4.846 4.340 0.000 0.000 0.279 691 R C 2.123 178.525 176.300 0.171 0.000 0.953 691 R CA 0.432 56.578 56.100 0.075 0.000 1.088 691 R CB -0.128 30.223 30.300 0.085 0.000 1.197 691 R HN 0.393 nan 8.270 nan 0.000 0.536 692 A N 1.643 124.491 122.820 0.046 0.000 1.915 692 A HA -0.321 3.999 4.320 0.000 0.000 0.220 692 A C 2.028 179.680 177.584 0.114 0.000 1.198 692 A CA 2.128 54.146 52.037 -0.030 0.000 0.647 692 A CB -0.344 18.576 19.000 -0.133 0.000 0.825 692 A HN 0.300 nan 8.150 nan 0.000 0.456 693 E N 0.342 120.587 120.200 0.075 0.000 2.130 693 E HA -0.210 4.140 4.350 0.000 0.000 0.196 693 E C 1.695 178.353 176.600 0.097 0.000 0.998 693 E CA 1.959 58.402 56.400 0.072 0.000 0.806 693 E CB -0.543 29.181 29.700 0.041 0.000 0.738 693 E HN 0.801 nan 8.360 nan 0.000 0.459 694 N N -1.261 117.499 118.700 0.099 0.000 2.364 694 N HA -0.108 4.632 4.740 0.000 0.000 0.183 694 N C 1.023 176.527 175.510 -0.011 0.000 1.022 694 N CA 0.448 53.509 53.050 0.020 0.000 0.883 694 N CB -0.174 38.279 38.487 -0.057 0.000 0.965 694 N HN 0.172 nan 8.380 nan 0.000 0.438 695 F N 1.520 121.421 119.950 -0.081 0.000 2.546 695 F HA -0.005 4.522 4.527 0.000 0.000 0.298 695 F C 1.893 177.691 175.800 -0.003 0.000 1.120 695 F CA 0.626 58.574 58.000 -0.087 0.000 1.456 695 F CB 0.068 38.960 39.000 -0.179 0.000 1.088 695 F HN -0.049 nan 8.300 nan 0.000 0.572 696 K N 0.413 120.908 120.400 0.158 0.000 2.280 696 K HA -0.198 4.122 4.320 0.000 0.000 0.202 696 K C 1.558 178.215 176.600 0.095 0.000 1.047 696 K CA 1.289 57.651 56.287 0.125 0.000 0.942 696 K CB -0.309 32.246 32.500 0.091 0.000 0.739 696 K HN 0.497 nan 8.250 nan 0.000 0.457 697 Q N 0.622 120.456 119.800 0.058 0.000 2.280 697 Q HA 0.085 4.425 4.340 0.000 0.000 0.202 697 Q C 0.224 176.256 176.000 0.053 0.000 0.903 697 Q CA -0.106 55.723 55.803 0.044 0.000 0.948 697 Q CB 0.242 28.990 28.738 0.017 0.000 1.058 697 Q HN 0.083 nan 8.270 nan 0.000 0.493 698 V N -3.279 116.682 119.914 0.078 0.000 3.049 698 V HA 0.495 4.615 4.120 0.000 0.000 0.309 698 V C -1.307 174.921 176.094 0.222 0.000 1.148 698 V CA -1.285 61.085 62.300 0.117 0.000 0.990 698 V CB 2.243 34.096 31.823 0.051 0.000 1.039 698 V HN 0.121 nan 8.190 nan 0.000 0.430 699 E N 2.092 122.452 120.200 0.266 0.000 2.194 699 E HA 0.416 4.766 4.350 0.000 0.000 0.284 699 E C -1.714 175.250 176.600 0.607 0.000 1.035 699 E CA -0.251 56.383 56.400 0.389 0.000 0.836 699 E CB 1.413 31.279 29.700 0.277 0.000 1.070 699 E HN 0.683 nan 8.360 nan 0.000 0.401 700 Y N 3.427 123.980 120.300 0.422 0.000 2.468 700 Y HA 0.477 5.027 4.550 0.000 0.000 0.342 700 Y C -1.388 174.576 175.900 0.108 0.000 1.021 700 Y CA -1.249 57.045 58.100 0.322 0.000 1.079 700 Y CB 1.070 39.761 38.460 0.385 0.000 1.226 700 Y HN 0.411 nan 8.280 nan 0.000 0.460 701 L N 7.762 128.655 121.223 -0.550 0.000 2.406 701 L HA 0.440 4.780 4.340 0.000 0.000 0.270 701 L C -1.868 174.543 176.870 -0.765 0.000 0.982 701 L CA -0.676 53.721 54.840 -0.739 0.000 0.843 701 L CB 1.166 42.492 42.059 -1.222 0.000 1.225 701 L HN 0.633 nan 8.230 nan 0.000 0.412 702 L N 6.203 127.078 121.223 -0.579 0.000 2.282 702 L HA 0.604 4.944 4.340 0.000 0.000 0.288 702 L C -0.858 175.907 176.870 -0.174 0.000 1.033 702 L CA -0.455 54.125 54.840 -0.432 0.000 0.807 702 L CB 1.618 43.499 42.059 -0.297 0.000 1.209 702 L HN 0.593 nan 8.230 nan 0.000 0.423 703 I N 3.618 124.098 120.570 -0.150 0.000 2.582 703 I HA 0.432 4.602 4.170 0.000 0.000 0.292 703 I C -1.135 174.996 176.117 0.023 0.000 1.066 703 I CA -0.742 60.529 61.300 -0.048 0.000 1.053 703 I CB 2.372 40.307 38.000 -0.109 0.000 1.241 703 I HN 0.636 nan 8.210 nan 0.000 0.421 704 H N 2.149 121.287 119.070 0.113 0.000 3.112 704 H HA 0.439 4.995 4.556 0.000 0.000 0.347 704 H C -0.465 175.107 175.328 0.406 0.000 1.188 704 H CA -0.657 55.504 56.048 0.188 0.000 1.240 704 H CB 1.996 31.809 29.762 0.084 0.000 1.920 704 H HN 0.777 nan 8.280 nan 0.000 0.535 705 G N 1.147 110.349 108.800 0.670 0.000 2.390 705 G HA2 0.198 4.158 3.960 0.000 0.000 0.270 705 G HA3 0.198 4.158 3.960 0.000 0.000 0.270 705 G C 1.188 176.370 174.900 0.471 0.000 1.211 705 G CA 0.162 45.577 45.100 0.525 0.000 0.842 705 G HN 0.749 nan 8.290 nan 0.000 0.519 706 T N -0.422 114.248 114.554 0.193 0.000 2.915 706 T HA 0.015 4.365 4.350 0.000 0.000 0.269 706 T C 1.816 176.512 174.700 -0.007 0.000 1.071 706 T CA 1.359 63.372 62.100 -0.145 0.000 1.132 706 T CB 0.092 68.801 68.868 -0.265 0.000 0.878 706 T HN 0.679 nan 8.240 nan 0.000 0.479 707 A N 1.040 123.942 122.820 0.136 0.000 2.532 707 A HA 0.280 4.600 4.320 0.000 0.000 0.273 707 A C 0.495 178.092 177.584 0.022 0.000 1.342 707 A CA -0.471 51.660 52.037 0.156 0.000 0.929 707 A CB -0.369 18.947 19.000 0.527 0.000 1.051 707 A HN 0.408 nan 8.150 nan 0.000 0.521 708 D N 1.440 121.851 120.400 0.019 0.000 2.346 708 D HA -0.007 4.633 4.640 0.000 0.000 0.260 708 D C 0.320 176.570 176.300 -0.083 0.000 1.252 708 D CA 0.121 54.209 54.000 0.147 0.000 0.895 708 D CB 0.695 41.749 40.800 0.423 0.000 1.097 708 D HN 0.566 nan 8.370 nan 0.000 0.489 709 D N 2.220 122.617 120.400 -0.006 0.000 2.348 709 D HA -0.103 4.537 4.640 0.000 0.000 0.211 709 D C 0.979 177.201 176.300 -0.129 0.000 0.998 709 D CA 0.113 54.043 54.000 -0.117 0.000 0.873 709 D CB 0.262 40.936 40.800 -0.210 0.000 0.925 709 D HN 0.429 nan 8.370 nan 0.000 0.524 710 N N 0.025 118.739 118.700 0.023 0.000 2.335 710 N HA -0.027 4.713 4.740 0.000 0.000 0.197 710 N C -0.196 175.185 175.510 -0.215 0.000 1.045 710 N CA 0.221 53.312 53.050 0.068 0.000 0.928 710 N CB 0.695 39.196 38.487 0.024 0.000 1.118 710 N HN -0.174 nan 8.380 nan 0.000 0.471 711 V N 3.129 122.914 119.914 -0.214 0.000 2.288 711 V HA 0.198 4.318 4.120 0.000 0.000 0.266 711 V C -0.807 175.288 176.094 0.001 0.000 1.048 711 V CA -0.594 61.640 62.300 -0.110 0.000 0.842 711 V CB 0.173 31.955 31.823 -0.069 0.000 1.064 711 V HN 0.366 nan 8.190 nan 0.000 0.472 712 H N 3.462 122.494 119.070 -0.063 0.000 2.972 712 H HA -0.029 4.527 4.556 0.000 0.000 0.343 712 H C 0.914 176.074 175.328 -0.281 0.000 1.054 712 H CA -0.082 55.848 56.048 -0.198 0.000 1.412 712 H CB 0.538 30.102 29.762 -0.330 0.000 1.385 712 H HN 0.620 nan 8.280 nan 0.000 0.600 713 F N 2.043 121.748 119.950 -0.407 0.000 2.236 713 F HA -0.283 4.244 4.527 0.000 0.000 0.302 713 F C 2.571 178.107 175.800 -0.440 0.000 1.073 713 F CA 1.868 59.432 58.000 -0.725 0.000 1.336 713 F CB -0.083 38.675 39.000 -0.403 0.000 1.040 713 F HN 0.672 nan 8.300 nan 0.000 0.507 714 Q N 0.224 119.877 119.800 -0.245 0.000 2.133 714 Q HA -0.314 4.026 4.340 0.000 0.000 0.208 714 Q C 2.059 177.821 176.000 -0.398 0.000 0.991 714 Q CA 2.276 57.892 55.803 -0.311 0.000 0.867 714 Q CB -0.468 28.056 28.738 -0.356 0.000 0.911 714 Q HN 0.587 nan 8.270 nan 0.000 0.417 715 Q N -0.195 119.415 119.800 -0.317 0.000 2.096 715 Q HA -0.137 4.203 4.340 0.000 0.000 0.204 715 Q C 2.276 178.181 176.000 -0.158 0.000 0.982 715 Q CA 1.778 57.507 55.803 -0.123 0.000 0.850 715 Q CB -0.091 28.650 28.738 0.005 0.000 0.901 715 Q HN 0.356 nan 8.270 nan 0.000 0.422 716 S N 0.353 115.865 115.700 -0.314 0.000 2.414 716 S HA 0.001 4.471 4.470 0.000 0.000 0.227 716 S C 2.013 176.377 174.600 -0.393 0.000 1.022 716 S CA 0.647 58.658 58.200 -0.315 0.000 0.958 716 S CB -0.069 62.915 63.200 -0.360 0.000 0.797 716 S HN 0.467 nan 8.310 nan 0.000 0.493 717 A N 1.474 123.963 122.820 -0.553 0.000 1.908 717 A HA -0.167 4.153 4.320 0.000 0.000 0.218 717 A C 2.082 179.561 177.584 -0.174 0.000 1.181 717 A CA 1.297 53.132 52.037 -0.337 0.000 0.627 717 A CB -0.462 18.392 19.000 -0.244 0.000 0.818 717 A HN 0.380 nan 8.150 nan 0.000 0.445 718 Q N -0.666 119.043 119.800 -0.153 0.000 2.311 718 Q HA 0.052 4.392 4.340 0.000 0.000 0.203 718 Q C 2.044 177.987 176.000 -0.096 0.000 0.954 718 Q CA 0.794 56.558 55.803 -0.065 0.000 0.885 718 Q CB -0.229 28.546 28.738 0.062 0.000 0.963 718 Q HN 0.798 nan 8.270 nan 0.000 0.471 719 I N 0.836 121.319 120.570 -0.145 0.000 2.233 719 I HA -0.236 3.934 4.170 0.000 0.000 0.243 719 I C 2.486 178.427 176.117 -0.295 0.000 1.093 719 I CA 1.247 62.415 61.300 -0.221 0.000 1.380 719 I CB -0.360 37.514 38.000 -0.210 0.000 1.067 719 I HN 0.163 nan 8.210 nan 0.000 0.413 720 S N 1.096 116.657 115.700 -0.232 0.000 2.359 720 S HA -0.291 4.179 4.470 0.000 0.000 0.224 720 S C 2.037 176.597 174.600 -0.067 0.000 1.035 720 S CA 1.523 59.623 58.200 -0.166 0.000 1.018 720 S CB -0.523 62.752 63.200 0.124 0.000 0.876 720 S HN 0.333 nan 8.310 nan 0.000 0.448 721 K N 1.766 122.136 120.400 -0.050 0.000 2.103 721 K HA -0.006 4.314 4.320 0.000 0.000 0.207 721 K C 2.237 178.808 176.600 -0.047 0.000 1.048 721 K CA 1.214 57.487 56.287 -0.022 0.000 0.930 721 K CB -0.665 31.820 32.500 -0.024 0.000 0.716 721 K HN 0.475 nan 8.250 nan 0.000 0.444 722 A N 0.775 123.535 122.820 -0.101 0.000 1.930 722 A HA -0.066 4.254 4.320 0.000 0.000 0.217 722 A C 2.034 179.539 177.584 -0.132 0.000 1.175 722 A CA 1.108 53.078 52.037 -0.111 0.000 0.627 722 A CB -0.480 18.433 19.000 -0.145 0.000 0.815 722 A HN 0.306 nan 8.150 nan 0.000 0.443 723 L N -0.715 120.380 121.223 -0.213 0.000 2.141 723 L HA -0.115 4.225 4.340 0.000 0.000 0.209 723 L C 2.453 179.322 176.870 -0.001 0.000 1.094 723 L CA 0.710 55.431 54.840 -0.197 0.000 0.763 723 L CB -0.533 41.247 42.059 -0.466 0.000 0.908 723 L HN 0.229 nan 8.230 nan 0.000 0.437 724 V N -0.112 119.830 119.914 0.047 0.000 2.307 724 V HA -0.263 3.857 4.120 0.000 0.000 0.245 724 V C 2.055 178.177 176.094 0.046 0.000 1.045 724 V CA 1.820 64.176 62.300 0.093 0.000 1.024 724 V CB -0.443 31.438 31.823 0.096 0.000 0.651 724 V HN 0.426 nan 8.190 nan 0.000 0.449 725 D N 0.406 120.816 120.400 0.016 0.000 2.221 725 D HA -0.118 4.522 4.640 0.000 0.000 0.204 725 D C 1.651 177.959 176.300 0.013 0.000 0.982 725 D CA 1.782 55.787 54.000 0.010 0.000 0.857 725 D CB -0.108 40.689 40.800 -0.004 0.000 0.934 725 D HN 0.569 nan 8.370 nan 0.000 0.475 726 V N -3.484 116.437 119.914 0.012 0.000 3.271 726 V HA 0.521 4.641 4.120 0.000 0.000 0.327 726 V C 1.080 177.198 176.094 0.039 0.000 1.389 726 V CA 0.143 62.455 62.300 0.020 0.000 1.156 726 V CB -0.073 31.757 31.823 0.012 0.000 1.103 726 V HN 0.116 nan 8.190 nan 0.000 0.453 727 G N 0.581 109.412 108.800 0.051 0.000 2.366 727 G HA2 -0.181 3.779 3.960 0.000 0.000 0.299 727 G HA3 -0.181 3.779 3.960 0.000 0.000 0.299 727 G C -0.071 174.885 174.900 0.093 0.000 1.020 727 G CA 0.662 45.803 45.100 0.069 0.000 1.026 727 G HN 1.569 nan 8.290 nan 0.000 0.512 728 V N -0.132 119.855 119.914 0.121 0.000 2.398 728 V HA 0.645 4.765 4.120 0.000 0.000 0.286 728 V C 0.164 176.426 176.094 0.280 0.000 1.026 728 V CA -0.742 61.657 62.300 0.165 0.000 0.868 728 V CB 1.706 33.613 31.823 0.140 0.000 0.982 728 V HN 0.386 nan 8.190 nan 0.000 0.443 729 D N 5.604 126.152 120.400 0.246 0.000 2.339 729 D HA 0.568 5.208 4.640 0.000 0.000 0.245 729 D C -0.535 176.011 176.300 0.409 0.000 1.115 729 D CA 0.410 54.558 54.000 0.247 0.000 0.917 729 D CB 0.884 41.760 40.800 0.127 0.000 1.192 729 D HN 0.597 nan 8.370 nan 0.000 0.428 730 F N -0.526 119.498 119.950 0.123 0.000 2.858 730 F HA 0.440 4.967 4.527 0.000 0.000 0.319 730 F C -1.601 174.250 175.800 0.085 0.000 1.166 730 F CA -1.135 56.960 58.000 0.159 0.000 0.899 730 F CB 0.591 39.727 39.000 0.226 0.000 1.332 730 F HN 0.098 nan 8.300 nan 0.000 0.461 731 Q N 1.319 121.157 119.800 0.064 0.000 2.248 731 Q HA 0.866 5.206 4.340 0.000 0.000 0.263 731 Q C -0.795 175.164 176.000 -0.068 0.000 1.007 731 Q CA -0.733 55.008 55.803 -0.103 0.000 0.877 731 Q CB 2.075 30.781 28.738 -0.053 0.000 1.315 731 Q HN 1.099 nan 8.270 nan 0.000 0.454 732 A N 1.127 123.883 122.820 -0.107 0.000 2.594 732 A HA 0.853 5.173 4.320 0.000 0.000 0.291 732 A C -1.498 176.026 177.584 -0.099 0.000 1.105 732 A CA -0.545 51.477 52.037 -0.025 0.000 0.694 732 A CB 2.014 21.061 19.000 0.079 0.000 1.291 732 A HN 0.607 nan 8.150 nan 0.000 0.410 733 M N 0.973 120.507 119.600 -0.109 0.000 2.296 733 M HA 0.545 5.025 4.480 0.000 0.000 0.268 733 M C -2.090 174.069 176.300 -0.235 0.000 1.048 733 M CA -0.379 54.705 55.300 -0.360 0.000 0.966 733 M CB 1.019 33.346 32.600 -0.454 0.000 1.912 733 M HN 1.055 nan 8.290 nan 0.000 0.484 734 W N 4.246 125.383 121.300 -0.272 0.000 2.516 734 W HA 0.795 5.455 4.660 0.000 0.000 0.343 734 W C -1.987 174.269 176.519 -0.439 0.000 1.094 734 W CA -0.911 56.356 57.345 -0.129 0.000 1.250 734 W CB 0.400 29.820 29.460 -0.067 0.000 1.308 734 W HN 0.623 nan 8.180 nan 0.000 0.588 735 Y N 2.106 122.540 120.300 0.223 0.000 2.376 735 Y HA 0.291 4.841 4.550 0.000 0.000 0.326 735 Y C 0.411 176.420 175.900 0.181 0.000 0.970 735 Y CA -1.046 57.103 58.100 0.083 0.000 1.248 735 Y CB 1.637 40.122 38.460 0.042 0.000 1.117 735 Y HN 0.411 nan 8.280 nan 0.000 0.476 736 T N 4.679 119.394 114.554 0.269 0.000 2.831 736 T HA -0.025 4.325 4.350 0.000 0.000 0.291 736 T C 0.185 174.950 174.700 0.108 0.000 0.981 736 T CA 0.691 62.881 62.100 0.149 0.000 1.174 736 T CB -0.101 68.790 68.868 0.038 0.000 0.929 736 T HN 0.742 nan 8.240 nan 0.000 0.532 737 D N 0.567 121.012 120.400 0.076 0.000 2.946 737 D HA -0.125 4.515 4.640 0.000 0.000 0.202 737 D C 0.334 176.791 176.300 0.262 0.000 1.068 737 D CA 1.187 55.195 54.000 0.014 0.000 1.011 737 D CB -0.407 40.217 40.800 -0.293 0.000 1.105 737 D HN 0.560 nan 8.370 nan 0.000 0.425 738 E N 1.115 121.474 120.200 0.266 0.000 2.343 738 E HA 0.314 4.664 4.350 0.000 0.000 0.269 738 E C 0.748 177.548 176.600 0.334 0.000 1.047 738 E CA -0.104 56.471 56.400 0.291 0.000 0.874 738 E CB 1.030 30.884 29.700 0.258 0.000 1.033 738 E HN 0.385 nan 8.360 nan 0.000 0.409 739 D N -0.432 120.176 120.400 0.346 0.000 2.541 739 D HA -0.001 4.639 4.640 0.000 0.000 0.276 739 D C 1.091 177.642 176.300 0.417 0.000 1.190 739 D CA -0.229 53.997 54.000 0.377 0.000 1.095 739 D CB -0.216 40.825 40.800 0.403 0.000 1.173 739 D HN 0.394 nan 8.370 nan 0.000 0.604 740 H N -1.457 117.804 119.070 0.318 0.000 2.457 740 H HA 0.048 4.604 4.556 0.000 0.000 0.297 740 H C 1.876 177.478 175.328 0.456 0.000 1.092 740 H CA 2.144 58.401 56.048 0.348 0.000 1.309 740 H CB -0.425 29.524 29.762 0.311 0.000 1.382 740 H HN 0.496 nan 8.280 nan 0.000 0.535 741 G N -0.480 108.528 108.800 0.347 0.000 2.683 741 G HA2 0.024 3.984 3.960 0.000 0.000 0.213 741 G HA3 0.024 3.984 3.960 0.000 0.000 0.213 741 G C 0.706 175.833 174.900 0.378 0.000 1.142 741 G CA 0.265 45.508 45.100 0.238 0.000 0.793 741 G HN 0.509 nan 8.290 nan 0.000 0.534 742 I N 0.106 120.897 120.570 0.368 0.000 5.158 742 I HA -0.323 3.847 4.170 0.000 0.000 0.126 742 I C 1.494 177.759 176.117 0.247 0.000 1.344 742 I CA 0.173 61.629 61.300 0.259 0.000 2.637 742 I CB -1.100 37.015 38.000 0.191 0.000 2.338 742 I HN 0.255 nan 8.210 nan 0.000 0.320 743 A N 0.818 123.763 122.820 0.210 0.000 2.460 743 A HA 0.320 4.640 4.320 0.000 0.000 0.258 743 A C 0.954 178.609 177.584 0.118 0.000 1.300 743 A CA 0.438 52.570 52.037 0.158 0.000 0.913 743 A CB 0.212 19.273 19.000 0.102 0.000 1.031 743 A HN 0.479 nan 8.150 nan 0.000 0.512 744 S N -0.312 115.466 115.700 0.131 0.000 2.576 744 S HA 0.241 4.711 4.470 0.000 0.000 0.276 744 S C 1.561 176.225 174.600 0.106 0.000 1.339 744 S CA 0.201 58.466 58.200 0.109 0.000 1.039 744 S CB 0.667 63.935 63.200 0.113 0.000 0.902 744 S HN 0.511 nan 8.310 nan 0.000 0.516 745 S N 3.001 118.747 115.700 0.075 0.000 2.365 745 S HA -0.187 4.283 4.470 0.000 0.000 0.221 745 S C 2.253 176.916 174.600 0.105 0.000 1.037 745 S CA 2.099 60.341 58.200 0.071 0.000 1.060 745 S CB -1.356 61.867 63.200 0.039 0.000 0.974 745 S HN 1.014 nan 8.310 nan 0.000 0.427 746 T N 1.297 115.900 114.554 0.081 0.000 2.746 746 T HA -0.008 4.342 4.350 0.000 0.000 0.267 746 T C 1.948 176.704 174.700 0.093 0.000 1.039 746 T CA 1.304 63.453 62.100 0.081 0.000 1.142 746 T CB -0.756 68.149 68.868 0.062 0.000 0.866 746 T HN 0.398 nan 8.240 nan 0.000 0.444 747 A N 1.606 124.467 122.820 0.068 0.000 1.902 747 A HA -0.135 4.185 4.320 0.000 0.000 0.217 747 A C 2.218 179.758 177.584 -0.073 0.000 1.181 747 A CA 2.202 54.222 52.037 -0.028 0.000 0.623 747 A CB -1.367 17.600 19.000 -0.056 0.000 0.818 747 A HN 0.804 nan 8.150 nan 0.000 0.443 748 H N -0.124 118.929 119.070 -0.029 0.000 2.319 748 H HA -0.163 4.393 4.556 0.000 0.000 0.299 748 H C 2.101 177.482 175.328 0.089 0.000 1.092 748 H CA 2.394 58.474 56.048 0.053 0.000 1.302 748 H CB -0.206 29.601 29.762 0.076 0.000 1.373 748 H HN 0.598 nan 8.280 nan 0.000 0.497 749 Q N -1.096 118.716 119.800 0.020 0.000 2.167 749 Q HA -0.165 4.175 4.340 0.000 0.000 0.202 749 Q C 2.155 178.132 176.000 -0.038 0.000 0.970 749 Q CA 1.168 56.942 55.803 -0.048 0.000 0.855 749 Q CB -0.132 28.619 28.738 0.022 0.000 0.911 749 Q HN 0.652 nan 8.270 nan 0.000 0.438 750 H N 0.939 119.968 119.070 -0.068 0.000 2.333 750 H HA -0.049 4.507 4.556 0.000 0.000 0.302 750 H C 2.038 177.338 175.328 -0.046 0.000 1.075 750 H CA 1.233 57.273 56.048 -0.014 0.000 1.348 750 H CB 0.026 29.838 29.762 0.083 0.000 1.393 750 H HN 0.275 nan 8.280 nan 0.000 0.509 751 I N 0.226 120.724 120.570 -0.120 0.000 2.286 751 I HA -0.318 3.852 4.170 0.000 0.000 0.248 751 I C 1.735 177.561 176.117 -0.484 0.000 1.115 751 I CA 1.227 62.361 61.300 -0.277 0.000 1.392 751 I CB -0.250 37.397 38.000 -0.589 0.000 1.065 751 I HN 0.141 nan 8.210 nan 0.000 0.418 752 Y N 0.805 120.851 120.300 -0.423 0.000 2.314 752 Y HA -0.166 4.384 4.550 0.000 0.000 0.293 752 Y C 2.717 178.357 175.900 -0.433 0.000 1.129 752 Y CA 1.702 59.428 58.100 -0.623 0.000 1.201 752 Y CB -0.834 37.261 38.460 -0.608 0.000 0.999 752 Y HN 0.126 nan 8.280 nan 0.000 0.541 753 T N -1.613 112.822 114.554 -0.199 0.000 2.777 753 T HA -0.218 4.132 4.350 0.000 0.000 0.266 753 T C 1.569 176.099 174.700 -0.283 0.000 1.040 753 T CA 1.863 63.816 62.100 -0.244 0.000 1.141 753 T CB -0.390 68.359 68.868 -0.198 0.000 0.868 753 T HN 0.396 nan 8.240 nan 0.000 0.444 754 H N 0.747 119.646 119.070 -0.286 0.000 2.357 754 H HA 0.144 4.700 4.556 0.000 0.000 0.301 754 H C 2.142 177.423 175.328 -0.078 0.000 1.082 754 H CA 1.476 57.439 56.048 -0.141 0.000 1.342 754 H CB -0.221 29.436 29.762 -0.175 0.000 1.389 754 H HN 0.262 nan 8.280 nan 0.000 0.511 755 M N -0.802 118.701 119.600 -0.161 0.000 2.229 755 M HA -0.146 4.334 4.480 0.000 0.000 0.264 755 M C 2.354 178.737 176.300 0.139 0.000 1.063 755 M CA 1.415 56.633 55.300 -0.137 0.000 1.114 755 M CB 0.089 32.365 32.600 -0.540 0.000 1.387 755 M HN 0.191 nan 8.290 nan 0.000 0.420 756 S N -0.521 115.265 115.700 0.142 0.000 2.356 756 S HA -0.162 4.308 4.470 0.000 0.000 0.223 756 S C 1.700 176.377 174.600 0.129 0.000 1.032 756 S CA 1.071 59.453 58.200 0.305 0.000 1.005 756 S CB -0.656 62.672 63.200 0.213 0.000 0.867 756 S HN 0.470 nan 8.310 nan 0.000 0.449 757 H N 0.269 119.386 119.070 0.078 0.000 2.290 757 H HA -0.081 4.475 4.556 0.000 0.000 0.298 757 H C 2.005 177.334 175.328 0.002 0.000 1.087 757 H CA 1.509 57.562 56.048 0.008 0.000 1.291 757 H CB -0.931 28.782 29.762 -0.082 0.000 1.369 757 H HN 0.430 nan 8.280 nan 0.000 0.492 758 F N 1.424 121.356 119.950 -0.031 0.000 2.065 758 F HA -0.224 4.303 4.527 0.000 0.000 0.298 758 F C 2.404 178.156 175.800 -0.081 0.000 1.112 758 F CA 1.124 59.079 58.000 -0.076 0.000 1.212 758 F CB -0.444 38.490 39.000 -0.110 0.000 0.975 758 F HN -0.030 nan 8.300 nan 0.000 0.476 759 I N 0.658 121.209 120.570 -0.031 0.000 2.179 759 I HA -0.278 3.892 4.170 0.000 0.000 0.242 759 I C 2.317 178.230 176.117 -0.341 0.000 1.088 759 I CA 1.412 62.534 61.300 -0.297 0.000 1.357 759 I CB -1.296 36.651 38.000 -0.087 0.000 1.051 759 I HN 0.200 nan 8.210 nan 0.000 0.409 760 K N 0.416 120.772 120.400 -0.072 0.000 2.009 760 K HA -0.237 4.083 4.320 0.000 0.000 0.210 760 K C 1.972 178.556 176.600 -0.027 0.000 1.049 760 K CA 1.268 57.565 56.287 0.018 0.000 0.929 760 K CB -0.619 31.944 32.500 0.104 0.000 0.714 760 K HN 0.414 nan 8.250 nan 0.000 0.440 761 Q N 1.300 121.053 119.800 -0.078 0.000 2.096 761 Q HA -0.196 4.144 4.340 0.000 0.000 0.204 761 Q C 2.302 178.207 176.000 -0.159 0.000 0.982 761 Q CA 1.848 57.592 55.803 -0.098 0.000 0.850 761 Q CB -0.591 28.081 28.738 -0.110 0.000 0.901 761 Q HN 0.399 nan 8.270 nan 0.000 0.422 762 c N 0.180 118.568 118.600 -0.354 0.000 2.422 762 c HA -0.080 4.490 4.570 0.000 0.000 0.279 762 c C 1.958 176.013 174.090 -0.058 0.000 1.305 762 c CA 0.359 56.474 56.329 -0.356 0.000 1.757 762 c CB -1.299 40.801 42.510 -0.684 0.000 1.962 762 c HN 0.513 nan 8.230 nan 0.000 0.499 763 F N 1.612 121.522 119.950 -0.065 0.000 2.660 763 F HA 0.282 4.809 4.527 0.000 0.000 0.302 763 F C 1.571 177.360 175.800 -0.019 0.000 1.103 763 F CA 0.115 58.099 58.000 -0.026 0.000 1.340 763 F CB -1.196 37.797 39.000 -0.011 0.000 1.048 763 F HN 0.181 nan 8.300 nan 0.000 0.551 764 S N 0.847 116.627 115.700 0.133 0.000 3.641 764 S HA -0.192 4.278 4.470 0.000 0.000 0.346 764 S C 0.139 174.787 174.600 0.079 0.000 1.074 764 S CA 0.260 58.507 58.200 0.077 0.000 1.026 764 S CB -1.994 61.243 63.200 0.063 0.000 0.908 764 S HN 0.253 nan 8.310 nan 0.000 0.479 765 L N 1.120 122.401 121.223 0.096 0.000 2.332 765 L HA 0.658 4.998 4.340 0.000 0.000 0.269 765 L C -1.463 175.453 176.870 0.076 0.000 1.016 765 L CA -2.263 52.630 54.840 0.089 0.000 0.809 765 L CB 0.597 42.726 42.059 0.115 0.000 1.280 765 L HN 0.028 nan 8.230 nan 0.000 0.447 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.141 63.100 0.069 0.000 0.800 766 P CB 0.000 31.747 31.700 0.078 0.000 0.726