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 2g5t_1_A DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.637 174.600 0.061 0.000 1.055 39 S CA 0.000 58.222 58.200 0.037 0.000 1.107 39 S CB 0.000 63.218 63.200 0.030 0.000 0.593 40 R N 0.658 121.197 120.500 0.065 0.000 3.115 40 R HA -0.130 4.204 4.340 -0.010 0.000 0.615 40 R C -0.525 175.828 176.300 0.088 0.000 0.927 40 R CA 1.224 57.372 56.100 0.080 0.000 1.826 40 R CB -0.241 30.115 30.300 0.094 0.000 1.936 40 R HN 0.919 nan 8.270 nan 0.000 0.604 41 K N 0.558 121.018 120.400 0.099 0.000 2.148 41 K HA 0.524 4.838 4.320 -0.010 0.000 0.239 41 K C 0.012 176.689 176.600 0.128 0.000 1.018 41 K CA -0.333 56.022 56.287 0.113 0.000 0.923 41 K CB 1.520 34.096 32.500 0.127 0.000 1.117 41 K HN 0.723 nan 8.250 nan 0.000 0.477 42 T N -2.900 111.743 114.554 0.148 0.000 2.910 42 T HA 0.229 4.573 4.350 -0.010 0.000 0.287 42 T C -0.882 173.962 174.700 0.241 0.000 1.050 42 T CA -0.787 61.417 62.100 0.173 0.000 1.011 42 T CB 0.604 69.569 68.868 0.161 0.000 1.195 42 T HN 0.514 nan 8.240 nan 0.000 0.540 43 Y N 2.785 123.169 120.300 0.140 0.000 2.585 43 Y HA 0.386 4.930 4.550 -0.010 0.000 0.354 43 Y C 1.001 177.068 175.900 0.279 0.000 1.024 43 Y CA -0.347 57.876 58.100 0.205 0.000 1.321 43 Y CB -0.328 38.213 38.460 0.135 0.000 1.151 43 Y HN 0.995 nan 8.280 nan 0.000 0.525 44 T N 2.221 116.786 114.554 0.018 0.000 2.824 44 T HA 0.102 4.446 4.350 -0.010 0.000 0.277 44 T C 1.028 175.617 174.700 -0.185 0.000 0.975 44 T CA -0.638 61.498 62.100 0.061 0.000 0.966 44 T CB 1.104 69.978 68.868 0.010 0.000 1.054 44 T HN 0.679 nan 8.240 nan 0.000 0.533 45 L N 0.888 121.823 121.223 -0.480 0.000 2.083 45 L HA 0.037 4.371 4.340 -0.010 0.000 0.209 45 L C 2.594 179.304 176.870 -0.267 0.000 1.083 45 L CA 2.092 56.513 54.840 -0.697 0.000 0.752 45 L CB -1.504 40.007 42.059 -0.913 0.000 0.899 45 L HN 0.947 nan 8.230 nan 0.000 0.433 46 T N -0.501 113.924 114.554 -0.216 0.000 2.788 46 T HA -0.145 4.199 4.350 -0.010 0.000 0.268 46 T C 1.463 176.062 174.700 -0.169 0.000 1.044 46 T CA 1.442 63.449 62.100 -0.154 0.000 1.139 46 T CB -0.336 68.465 68.868 -0.111 0.000 0.867 46 T HN 0.420 nan 8.240 nan 0.000 0.454 47 D N 0.043 120.304 120.400 -0.232 0.000 2.178 47 D HA -0.072 4.562 4.640 -0.010 0.000 0.202 47 D C 1.708 177.884 176.300 -0.206 0.000 0.974 47 D CA 0.911 54.742 54.000 -0.283 0.000 0.841 47 D CB -0.212 40.338 40.800 -0.418 0.000 0.953 47 D HN 0.431 nan 8.370 nan 0.000 0.478 48 Y N 1.464 121.563 120.300 -0.335 0.000 2.184 48 Y HA -0.025 4.519 4.550 -0.010 0.000 0.290 48 Y C 2.124 178.020 175.900 -0.007 0.000 1.129 48 Y CA 1.025 59.099 58.100 -0.043 0.000 1.144 48 Y CB -0.496 38.009 38.460 0.074 0.000 0.995 48 Y HN -0.139 nan 8.280 nan 0.000 0.513 49 L N -0.028 121.007 121.223 -0.314 0.000 2.156 49 L HA -0.118 4.216 4.340 -0.010 0.000 0.208 49 L C 1.685 178.438 176.870 -0.194 0.000 1.095 49 L CA 1.147 55.787 54.840 -0.334 0.000 0.770 49 L CB -0.348 41.591 42.059 -0.200 0.000 0.914 49 L HN 0.030 nan 8.230 nan 0.000 0.439 50 K N -0.120 120.190 120.400 -0.150 0.000 2.373 50 K HA 0.088 4.402 4.320 -0.010 0.000 0.202 50 K C -0.060 176.484 176.600 -0.094 0.000 1.025 50 K CA -0.169 56.054 56.287 -0.108 0.000 1.115 50 K CB -0.270 32.170 32.500 -0.100 0.000 0.858 50 K HN 0.248 nan 8.250 nan 0.000 0.525 51 N N 2.084 120.734 118.700 -0.083 0.000 2.669 51 N HA -0.235 4.499 4.740 -0.010 0.000 0.266 51 N C 0.674 176.161 175.510 -0.037 0.000 1.024 51 N CA 0.428 53.473 53.050 -0.009 0.000 0.766 51 N CB -0.156 38.328 38.487 -0.006 0.000 0.898 51 N HN 0.348 nan 8.380 nan 0.000 0.548 52 T N -2.002 112.478 114.554 -0.122 0.000 2.867 52 T HA -0.141 4.203 4.350 -0.010 0.000 0.268 52 T C 0.521 175.002 174.700 -0.365 0.000 1.057 52 T CA 1.054 62.973 62.100 -0.301 0.000 1.136 52 T CB -0.099 68.469 68.868 -0.500 0.000 0.874 52 T HN 0.351 nan 8.240 nan 0.000 0.466 53 Y N 1.847 122.233 120.300 0.143 0.000 2.593 53 Y HA 0.659 5.203 4.550 -0.010 0.000 0.331 53 Y C 0.407 176.409 175.900 0.170 0.000 0.986 53 Y CA -1.714 56.492 58.100 0.176 0.000 1.262 53 Y CB 0.576 39.197 38.460 0.268 0.000 1.098 53 Y HN -0.004 nan 8.280 nan 0.000 0.506 54 R N 2.524 123.151 120.500 0.213 0.000 2.390 54 R HA 0.443 4.777 4.340 -0.010 0.000 0.291 54 R C -1.052 175.350 176.300 0.170 0.000 1.070 54 R CA -0.218 55.979 56.100 0.161 0.000 1.014 54 R CB 0.418 30.773 30.300 0.092 0.000 1.007 54 R HN 0.718 nan 8.270 nan 0.000 0.466 55 L N 4.432 125.754 121.223 0.165 0.000 2.276 55 L HA 0.335 4.670 4.340 -0.010 0.000 0.286 55 L C 0.146 177.086 176.870 0.117 0.000 1.061 55 L CA -0.314 54.624 54.840 0.163 0.000 0.807 55 L CB 1.230 43.405 42.059 0.193 0.000 1.177 55 L HN 0.531 nan 8.230 nan 0.000 0.429 56 K N 3.729 124.191 120.400 0.104 0.000 2.143 56 K HA 0.601 4.915 4.320 -0.010 0.000 0.272 56 K C -0.668 175.944 176.600 0.019 0.000 1.001 56 K CA -0.358 55.963 56.287 0.056 0.000 0.915 56 K CB 1.360 33.891 32.500 0.052 0.000 1.047 56 K HN 0.394 nan 8.250 nan 0.000 0.458 57 L N 1.328 122.502 121.223 -0.082 0.000 2.293 57 L HA 0.532 4.867 4.340 -0.010 0.000 0.264 57 L C -1.009 175.614 176.870 -0.412 0.000 1.029 57 L CA -1.070 53.598 54.840 -0.286 0.000 0.897 57 L CB 0.766 42.766 42.059 -0.097 0.000 1.497 57 L HN 0.543 nan 8.230 nan 0.000 0.495 58 Y N 0.113 120.005 120.300 -0.680 0.000 2.472 58 Y HA 0.265 4.809 4.550 -0.010 0.000 0.324 58 Y C -1.011 174.791 175.900 -0.164 0.000 1.160 58 Y CA -0.622 57.257 58.100 -0.368 0.000 1.381 58 Y CB 1.053 39.131 38.460 -0.636 0.000 1.125 58 Y HN 0.373 nan 8.280 nan 0.000 0.541 59 S N 5.529 121.201 115.700 -0.047 0.000 2.411 59 S HA 0.612 5.076 4.470 -0.010 0.000 0.294 59 S C -0.590 173.992 174.600 -0.031 0.000 1.115 59 S CA -0.557 57.637 58.200 -0.010 0.000 1.071 59 S CB 0.102 63.283 63.200 -0.031 0.000 0.967 59 S HN 0.517 nan 8.310 nan 0.000 0.488 60 L N 0.941 122.124 121.223 -0.066 0.000 2.322 60 L HA 0.795 5.130 4.340 -0.010 0.000 0.269 60 L C -0.154 176.624 176.870 -0.153 0.000 1.012 60 L CA -0.871 53.867 54.840 -0.171 0.000 0.815 60 L CB 0.798 42.443 42.059 -0.690 0.000 1.295 60 L HN 0.297 nan 8.230 nan 0.000 0.438 61 R N 1.244 121.697 120.500 -0.079 0.000 2.422 61 R HA 0.299 4.633 4.340 -0.010 0.000 0.307 61 R C -1.796 174.555 176.300 0.084 0.000 1.004 61 R CA -0.544 55.571 56.100 0.024 0.000 0.882 61 R CB 0.718 31.058 30.300 0.066 0.000 1.164 61 R HN 0.855 nan 8.270 nan 0.000 0.489 62 W N 5.441 126.855 121.300 0.190 0.000 2.322 62 W HA 0.075 4.729 4.660 -0.010 0.000 0.328 62 W C 1.762 178.382 176.519 0.168 0.000 1.395 62 W CA -0.321 57.153 57.345 0.215 0.000 1.267 62 W CB 0.471 30.051 29.460 0.200 0.000 1.259 62 W HN 0.572 nan 8.180 nan 0.000 0.560 63 I N 0.579 121.389 120.570 0.401 0.000 4.057 63 I HA 0.303 4.467 4.170 -0.010 0.000 0.334 63 I C 0.692 176.961 176.117 0.254 0.000 1.308 63 I CA -0.076 61.370 61.300 0.243 0.000 1.125 63 I CB -0.192 37.885 38.000 0.129 0.000 1.034 63 I HN 0.274 nan 8.210 nan 0.000 0.401 64 S N -0.471 115.439 115.700 0.350 0.000 2.714 64 S HA 0.239 4.704 4.470 -0.010 0.000 0.280 64 S C -0.286 174.490 174.600 0.293 0.000 1.200 64 S CA -0.217 58.166 58.200 0.305 0.000 0.900 64 S CB 1.311 64.710 63.200 0.331 0.000 1.235 64 S HN 0.062 nan 8.310 nan 0.000 0.512 65 D N -0.823 119.703 120.400 0.210 0.000 2.340 65 D HA 0.270 4.905 4.640 -0.010 0.000 0.220 65 D C 0.764 176.974 176.300 -0.150 0.000 1.039 65 D CA 0.827 54.769 54.000 -0.097 0.000 0.866 65 D CB 0.003 40.639 40.800 -0.273 0.000 0.913 65 D HN 0.599 nan 8.370 nan 0.000 0.523 66 H N -1.758 117.511 119.070 0.332 0.000 3.643 66 H HA 0.442 4.992 4.556 -0.010 0.000 0.256 66 H C -0.096 175.400 175.328 0.280 0.000 1.107 66 H CA -0.248 56.001 56.048 0.334 0.000 1.175 66 H CB 0.640 30.542 29.762 0.233 0.000 1.519 66 H HN -0.007 nan 8.280 nan 0.000 0.565 67 E N 0.496 120.988 120.200 0.486 0.000 2.392 67 E HA 0.451 4.796 4.350 -0.010 0.000 0.269 67 E C -1.460 175.371 176.600 0.384 0.000 0.924 67 E CA -1.346 55.235 56.400 0.301 0.000 0.784 67 E CB 2.974 32.774 29.700 0.167 0.000 1.292 67 E HN 0.189 nan 8.360 nan 0.000 0.447 68 Y N -1.328 119.026 120.300 0.090 0.000 2.571 68 Y HA 0.580 5.125 4.550 -0.009 0.000 0.341 68 Y C -1.790 174.117 175.900 0.013 0.000 1.076 68 Y CA -1.348 56.704 58.100 -0.080 0.000 1.029 68 Y CB 0.742 38.837 38.460 -0.608 0.000 1.308 68 Y HN 0.338 nan 8.280 nan 0.000 0.461 69 L N 3.520 124.874 121.223 0.218 0.000 2.307 69 L HA 0.432 4.767 4.340 -0.010 0.000 0.282 69 L C -1.280 175.769 176.870 0.298 0.000 1.051 69 L CA -0.912 54.013 54.840 0.141 0.000 0.804 69 L CB 1.250 43.259 42.059 -0.082 0.000 1.197 69 L HN 0.759 nan 8.230 nan 0.000 0.431 70 Y N 3.334 123.743 120.300 0.183 0.000 2.332 70 Y HA 0.329 4.874 4.550 -0.009 0.000 0.326 70 Y C -0.600 175.313 175.900 0.021 0.000 0.978 70 Y CA -1.141 57.008 58.100 0.082 0.000 1.205 70 Y CB 1.072 39.631 38.460 0.165 0.000 1.131 70 Y HN 0.426 nan 8.280 nan 0.000 0.462 71 K N 5.281 125.382 120.400 -0.499 0.000 2.312 71 K HA 0.174 4.488 4.320 -0.010 0.000 0.287 71 K C -0.254 176.021 176.600 -0.542 0.000 1.062 71 K CA -0.513 55.543 56.287 -0.386 0.000 0.934 71 K CB 1.259 33.627 32.500 -0.220 0.000 1.027 71 K HN 0.652 nan 8.250 nan 0.000 0.478 72 Q N 1.339 120.970 119.800 -0.282 0.000 2.414 72 Q HA -0.019 4.316 4.340 -0.010 0.000 0.206 72 Q C 1.106 177.022 176.000 -0.140 0.000 1.058 72 Q CA 0.286 55.976 55.803 -0.189 0.000 1.025 72 Q CB 0.792 29.503 28.738 -0.045 0.000 1.196 72 Q HN 0.609 nan 8.270 nan 0.000 0.586 73 E N -0.231 119.917 120.200 -0.087 0.000 2.204 73 E HA -0.227 4.117 4.350 -0.010 0.000 0.194 73 E C 0.505 177.090 176.600 -0.025 0.000 0.989 73 E CA 0.854 57.219 56.400 -0.058 0.000 0.824 73 E CB 0.288 29.964 29.700 -0.040 0.000 0.756 73 E HN 0.469 nan 8.360 nan 0.000 0.477 74 N N 0.575 119.264 118.700 -0.019 0.000 2.418 74 N HA -0.022 4.713 4.740 -0.010 0.000 0.199 74 N C 0.459 175.973 175.510 0.008 0.000 1.044 74 N CA 0.599 53.651 53.050 0.002 0.000 0.943 74 N CB -0.011 38.475 38.487 -0.002 0.000 1.154 74 N HN 0.213 nan 8.380 nan 0.000 0.467 75 N N 0.805 119.496 118.700 -0.015 0.000 2.471 75 N HA 0.318 5.052 4.740 -0.010 0.000 0.288 75 N C -0.703 174.777 175.510 -0.050 0.000 1.220 75 N CA -0.410 52.621 53.050 -0.030 0.000 0.893 75 N CB 1.597 40.066 38.487 -0.030 0.000 1.256 75 N HN -0.002 nan 8.380 nan 0.000 0.534 76 I N 0.728 121.261 120.570 -0.061 0.000 2.321 76 I HA 0.280 4.444 4.170 -0.010 0.000 0.291 76 I C -0.120 176.016 176.117 0.032 0.000 0.998 76 I CA -0.662 60.605 61.300 -0.054 0.000 1.227 76 I CB 0.964 38.885 38.000 -0.133 0.000 1.368 76 I HN 0.219 nan 8.210 nan 0.000 0.466 77 L N 6.629 127.887 121.223 0.060 0.000 2.331 77 L HA 0.580 4.914 4.340 -0.010 0.000 0.275 77 L C -0.358 176.543 176.870 0.050 0.000 1.022 77 L CA -0.953 53.908 54.840 0.036 0.000 0.812 77 L CB 2.240 44.301 42.059 0.004 0.000 1.257 77 L HN 0.320 nan 8.230 nan 0.000 0.435 78 V N 2.626 122.508 119.914 -0.054 0.000 2.398 78 V HA 0.483 4.597 4.120 -0.010 0.000 0.286 78 V C -0.899 175.032 176.094 -0.272 0.000 1.026 78 V CA -0.185 62.085 62.300 -0.050 0.000 0.868 78 V CB 1.259 33.127 31.823 0.074 0.000 0.982 78 V HN 0.452 nan 8.190 nan 0.000 0.443 79 F N 5.385 125.095 119.950 -0.400 0.000 2.458 79 F HA 0.509 5.030 4.527 -0.010 0.000 0.330 79 F C 0.499 176.005 175.800 -0.491 0.000 1.082 79 F CA -0.438 57.219 58.000 -0.571 0.000 0.995 79 F CB 1.688 39.984 39.000 -1.173 0.000 1.170 79 F HN 0.521 nan 8.300 nan 0.000 0.478 80 N N 1.880 120.525 118.700 -0.093 0.000 2.425 80 N HA 0.292 5.026 4.740 -0.010 0.000 0.268 80 N C 0.320 175.780 175.510 -0.083 0.000 0.991 80 N CA 0.043 53.068 53.050 -0.041 0.000 0.931 80 N CB 1.875 40.395 38.487 0.055 0.000 1.130 80 N HN 0.788 nan 8.380 nan 0.000 0.493 81 A N 3.613 126.330 122.820 -0.172 0.000 1.930 81 A HA -0.161 4.153 4.320 -0.010 0.000 0.217 81 A C 1.871 179.191 177.584 -0.440 0.000 1.175 81 A CA 1.468 53.306 52.037 -0.331 0.000 0.627 81 A CB -0.402 18.190 19.000 -0.681 0.000 0.815 81 A HN 0.814 nan 8.150 nan 0.000 0.443 82 E N -0.694 119.235 120.200 -0.451 0.000 2.023 82 E HA -0.199 4.145 4.350 -0.010 0.000 0.196 82 E C 1.481 177.817 176.600 -0.440 0.000 1.003 82 E CA 2.122 58.252 56.400 -0.450 0.000 0.809 82 E CB -0.392 28.906 29.700 -0.671 0.000 0.755 82 E HN 0.716 nan 8.360 nan 0.000 0.449 83 Y N -2.110 118.189 120.300 -0.002 0.000 2.524 83 Y HA 0.380 4.924 4.550 -0.010 0.000 0.270 83 Y C 1.698 177.602 175.900 0.007 0.000 1.094 83 Y CA 0.348 58.450 58.100 0.004 0.000 1.276 83 Y CB 0.634 39.096 38.460 0.005 0.000 1.130 83 Y HN 0.234 nan 8.280 nan 0.000 0.536 84 G N 0.772 109.657 108.800 0.141 0.000 2.157 84 G HA2 -0.286 3.669 3.960 -0.010 0.000 0.239 84 G HA3 -0.286 3.669 3.960 -0.010 0.000 0.239 84 G C -0.182 174.839 174.900 0.202 0.000 0.982 84 G CA 0.008 45.209 45.100 0.168 0.000 0.650 84 G HN 0.434 nan 8.290 nan 0.000 0.527 85 N N 0.739 119.512 118.700 0.121 0.000 2.508 85 N HA 0.534 5.268 4.740 -0.010 0.000 0.264 85 N C 0.025 175.433 175.510 -0.169 0.000 1.216 85 N CA 0.656 53.707 53.050 0.001 0.000 0.943 85 N CB 1.502 39.992 38.487 0.005 0.000 1.113 85 N HN 0.948 nan 8.380 nan 0.000 0.447 86 S N -0.315 115.191 115.700 -0.324 0.000 2.595 86 S HA 0.741 5.205 4.470 -0.010 0.000 0.281 86 S C -0.921 173.474 174.600 -0.342 0.000 1.117 86 S CA -0.843 57.013 58.200 -0.574 0.000 0.873 86 S CB 1.584 63.975 63.200 -1.348 0.000 1.108 86 S HN 0.591 nan 8.310 nan 0.000 0.477 87 S N 0.351 115.876 115.700 -0.291 0.000 2.595 87 S HA 0.603 5.067 4.470 -0.010 0.000 0.281 87 S C -0.817 173.703 174.600 -0.134 0.000 1.117 87 S CA -0.777 57.320 58.200 -0.172 0.000 0.873 87 S CB 1.642 64.768 63.200 -0.123 0.000 1.108 87 S HN 0.748 nan 8.310 nan 0.000 0.477 88 V N 3.187 123.044 119.914 -0.096 0.000 2.439 88 V HA 0.119 4.233 4.120 -0.010 0.000 0.271 88 V C 0.731 176.808 176.094 -0.029 0.000 1.040 88 V CA 0.187 62.454 62.300 -0.055 0.000 1.002 88 V CB -0.224 31.559 31.823 -0.066 0.000 1.000 88 V HN 0.932 nan 8.190 nan 0.000 0.477 89 F N 6.742 126.628 119.950 -0.106 0.000 2.163 89 F HA 0.136 4.657 4.527 -0.009 0.000 0.297 89 F C 0.648 176.396 175.800 -0.086 0.000 1.094 89 F CA 1.050 58.996 58.000 -0.091 0.000 1.290 89 F CB 0.443 39.395 39.000 -0.081 0.000 1.017 89 F HN 0.366 nan 8.300 nan 0.000 0.483 90 L N 0.108 121.371 121.223 0.067 0.000 2.641 90 L HA 0.433 4.768 4.340 -0.010 0.000 0.261 90 L C -1.054 175.777 176.870 -0.065 0.000 0.926 90 L CA -0.989 53.827 54.840 -0.040 0.000 0.917 90 L CB 0.596 42.688 42.059 0.055 0.000 1.361 90 L HN -0.170 nan 8.230 nan 0.000 0.417 91 E N 2.462 122.593 120.200 -0.115 0.000 2.413 91 E HA 0.119 4.463 4.350 -0.010 0.000 0.263 91 E C 1.422 177.960 176.600 -0.105 0.000 1.015 91 E CA 0.677 57.012 56.400 -0.107 0.000 0.916 91 E CB 0.831 30.459 29.700 -0.121 0.000 0.947 91 E HN 0.728 nan 8.360 nan 0.000 0.440 92 N N 1.328 119.995 118.700 -0.055 0.000 2.289 92 N HA -0.183 4.551 4.740 -0.010 0.000 0.184 92 N C 0.914 176.416 175.510 -0.014 0.000 1.016 92 N CA 1.318 54.363 53.050 -0.008 0.000 0.872 92 N CB -0.133 38.354 38.487 0.001 0.000 0.973 92 N HN 0.335 nan 8.380 nan 0.000 0.433 93 S N -0.697 114.964 115.700 -0.064 0.000 2.558 93 S HA 0.060 4.525 4.470 -0.010 0.000 0.217 93 S C 1.594 176.101 174.600 -0.155 0.000 0.975 93 S CA 0.167 58.324 58.200 -0.071 0.000 0.912 93 S CB -0.269 62.895 63.200 -0.061 0.000 0.776 93 S HN 0.181 nan 8.310 nan 0.000 0.526 94 T N 1.901 116.274 114.554 -0.302 0.000 2.778 94 T HA -0.045 4.299 4.350 -0.010 0.000 0.269 94 T C 0.168 174.399 174.700 -0.782 0.000 1.050 94 T CA 1.322 63.050 62.100 -0.620 0.000 1.137 94 T CB -0.464 67.809 68.868 -0.992 0.000 0.860 94 T HN 0.593 nan 8.240 nan 0.000 0.468 95 F N 0.815 120.691 119.950 -0.123 0.000 2.855 95 F HA 0.349 4.870 4.527 -0.009 0.000 0.317 95 F C 1.162 176.965 175.800 0.004 0.000 1.169 95 F CA -1.326 56.613 58.000 -0.102 0.000 1.299 95 F CB -0.005 38.830 39.000 -0.275 0.000 0.962 95 F HN -0.052 nan 8.300 nan 0.000 0.506 96 D N 1.285 121.741 120.400 0.092 0.000 2.120 96 D HA -0.199 4.436 4.640 -0.010 0.000 0.191 96 D C 1.398 177.760 176.300 0.103 0.000 0.994 96 D CA 1.620 55.667 54.000 0.078 0.000 0.838 96 D CB -0.238 40.576 40.800 0.024 0.000 0.976 96 D HN 0.526 nan 8.370 nan 0.000 0.447 97 E N 0.260 120.512 120.200 0.086 0.000 2.545 97 E HA 0.007 4.351 4.350 -0.010 0.000 0.271 97 E C 0.735 177.395 176.600 0.101 0.000 1.508 97 E CA -0.310 56.126 56.400 0.061 0.000 1.774 97 E CB -0.486 29.229 29.700 0.025 0.000 1.460 97 E HN 0.177 nan 8.360 nan 0.000 0.449 98 F N 1.482 121.426 119.950 -0.010 0.000 2.416 98 F HA 0.201 4.722 4.527 -0.010 0.000 0.296 98 F C 1.759 177.471 175.800 -0.146 0.000 1.099 98 F CA 1.363 59.348 58.000 -0.025 0.000 1.427 98 F CB 0.247 39.249 39.000 0.003 0.000 1.079 98 F HN 0.390 nan 8.300 nan 0.000 0.536 99 G N -0.577 108.100 108.800 -0.204 0.000 2.199 99 G HA2 -0.245 3.710 3.960 -0.010 0.000 0.254 99 G HA3 -0.245 3.710 3.960 -0.010 0.000 0.254 99 G C 0.127 174.631 174.900 -0.659 0.000 0.982 99 G CA 0.401 45.225 45.100 -0.461 0.000 0.632 99 G HN 0.534 nan 8.290 nan 0.000 0.529 100 H N -0.324 118.672 119.070 -0.124 0.000 2.851 100 H HA 0.601 5.151 4.556 -0.010 0.000 0.372 100 H C -0.489 174.918 175.328 0.133 0.000 1.158 100 H CA -0.025 55.999 56.048 -0.039 0.000 1.159 100 H CB 1.691 31.236 29.762 -0.361 0.000 1.757 100 H HN 0.166 nan 8.280 nan 0.000 0.546 101 S N 2.782 118.608 115.700 0.209 0.000 2.455 101 S HA 0.257 4.722 4.470 -0.010 0.000 0.278 101 S C 0.212 174.847 174.600 0.058 0.000 1.216 101 S CA -0.671 57.590 58.200 0.101 0.000 1.055 101 S CB -0.780 62.462 63.200 0.069 0.000 0.939 101 S HN 0.369 nan 8.310 nan 0.000 0.494 102 I N 6.211 126.736 120.570 -0.076 0.000 2.352 102 I HA 0.210 4.374 4.170 -0.010 0.000 0.290 102 I C 1.425 177.374 176.117 -0.280 0.000 1.036 102 I CA -0.484 60.666 61.300 -0.249 0.000 1.336 102 I CB 0.814 38.487 38.000 -0.544 0.000 1.407 102 I HN 0.745 nan 8.210 nan 0.000 0.497 103 N N 3.926 122.468 118.700 -0.264 0.000 2.325 103 N HA 0.059 4.793 4.740 -0.010 0.000 0.182 103 N C -0.112 175.205 175.510 -0.322 0.000 1.088 103 N CA 0.178 53.062 53.050 -0.276 0.000 0.879 103 N CB 0.747 39.062 38.487 -0.287 0.000 0.983 103 N HN 0.563 nan 8.380 nan 0.000 0.471 104 D N -1.189 118.972 120.400 -0.397 0.000 2.648 104 D HA 0.362 4.996 4.640 -0.010 0.000 0.244 104 D C -1.582 174.471 176.300 -0.412 0.000 1.244 104 D CA -0.449 53.360 54.000 -0.318 0.000 0.772 104 D CB 1.257 41.979 40.800 -0.130 0.000 1.379 104 D HN -0.099 nan 8.370 nan 0.000 0.428 105 Y N -0.164 120.137 120.300 0.002 0.000 2.753 105 Y HA 0.667 5.212 4.550 -0.009 0.000 0.324 105 Y C 0.072 176.041 175.900 0.114 0.000 1.147 105 Y CA -0.791 57.333 58.100 0.040 0.000 1.173 105 Y CB 2.191 40.662 38.460 0.017 0.000 1.361 105 Y HN 0.198 nan 8.280 nan 0.000 0.545 106 S N 0.953 116.879 115.700 0.377 0.000 2.388 106 S HA 0.379 4.843 4.470 -0.010 0.000 0.279 106 S C -1.731 173.112 174.600 0.404 0.000 0.987 106 S CA -0.484 57.933 58.200 0.362 0.000 0.993 106 S CB -0.264 63.179 63.200 0.405 0.000 1.207 106 S HN 0.533 nan 8.310 nan 0.000 0.425 107 I N 4.559 125.218 120.570 0.149 0.000 2.342 107 I HA 0.298 4.462 4.170 -0.010 0.000 0.291 107 I C 1.073 176.963 176.117 -0.379 0.000 1.010 107 I CA -0.474 60.801 61.300 -0.041 0.000 1.308 107 I CB 1.638 39.544 38.000 -0.156 0.000 1.400 107 I HN 0.749 nan 8.210 nan 0.000 0.488 108 S N 6.144 121.270 115.700 -0.956 0.000 2.563 108 S HA 0.085 4.550 4.470 -0.010 0.000 0.284 108 S C -1.801 172.486 174.600 -0.521 0.000 1.331 108 S CA -0.853 56.461 58.200 -1.475 0.000 1.047 108 S CB 0.431 62.630 63.200 -1.668 0.000 0.859 108 S HN 0.445 nan 8.310 nan 0.000 0.514 109 P HA -0.045 nan 4.420 nan 0.000 0.226 109 P C 0.491 177.747 177.300 -0.074 0.000 1.146 109 P CA 0.941 63.977 63.100 -0.106 0.000 0.773 109 P CB 0.018 31.690 31.700 -0.047 0.000 0.772 110 D N -1.647 118.687 120.400 -0.109 0.000 2.194 110 D HA 0.019 4.654 4.640 -0.010 0.000 0.204 110 D C 1.868 178.135 176.300 -0.054 0.000 0.964 110 D CA 1.517 55.491 54.000 -0.042 0.000 0.846 110 D CB -0.502 40.315 40.800 0.027 0.000 0.962 110 D HN 0.120 nan 8.370 nan 0.000 0.490 111 G N 0.479 109.233 108.800 -0.076 0.000 2.176 111 G HA2 -0.373 3.581 3.960 -0.010 0.000 0.253 111 G HA3 -0.373 3.581 3.960 -0.010 0.000 0.253 111 G C 1.100 175.966 174.900 -0.057 0.000 0.979 111 G CA 0.642 45.766 45.100 0.041 0.000 0.641 111 G HN 0.383 nan 8.290 nan 0.000 0.530 112 Q N -1.252 118.406 119.800 -0.237 0.000 2.137 112 Q HA 0.287 4.621 4.340 -0.010 0.000 0.198 112 Q C 0.362 175.881 176.000 -0.801 0.000 0.960 112 Q CA 0.866 56.325 55.803 -0.573 0.000 0.847 112 Q CB 0.200 28.480 28.738 -0.764 0.000 0.915 112 Q HN 0.563 nan 8.270 nan 0.000 0.448 113 F N -0.458 119.409 119.950 -0.138 0.000 2.577 113 F HA 0.503 5.024 4.527 -0.010 0.000 0.318 113 F C -0.247 175.603 175.800 0.082 0.000 1.065 113 F CA -1.044 56.951 58.000 -0.009 0.000 0.929 113 F CB 1.429 40.482 39.000 0.089 0.000 1.237 113 F HN -0.207 nan 8.300 nan 0.000 0.468 114 I N 2.805 123.689 120.570 0.523 0.000 2.530 114 I HA 0.363 4.528 4.170 -0.010 0.000 0.297 114 I C -1.360 175.117 176.117 0.599 0.000 1.011 114 I CA -1.032 60.575 61.300 0.511 0.000 1.107 114 I CB 2.135 40.443 38.000 0.513 0.000 1.285 114 I HN 0.294 nan 8.210 nan 0.000 0.436 115 L N 7.037 128.614 121.223 0.591 0.000 2.272 115 L HA 0.497 4.831 4.340 -0.010 0.000 0.289 115 L C -0.814 176.246 176.870 0.317 0.000 1.032 115 L CA -0.138 54.980 54.840 0.462 0.000 0.810 115 L CB 0.981 43.300 42.059 0.434 0.000 1.205 115 L HN 0.391 nan 8.230 nan 0.000 0.422 116 L N 4.686 126.026 121.223 0.195 0.000 2.282 116 L HA 0.514 4.848 4.340 -0.010 0.000 0.288 116 L C -0.075 176.803 176.870 0.013 0.000 1.033 116 L CA -0.453 54.365 54.840 -0.037 0.000 0.807 116 L CB 1.572 43.437 42.059 -0.324 0.000 1.209 116 L HN 0.603 nan 8.230 nan 0.000 0.423 117 E N 3.846 123.959 120.200 -0.145 0.000 2.151 117 E HA 0.477 4.821 4.350 -0.010 0.000 0.275 117 E C -1.645 174.853 176.600 -0.170 0.000 0.936 117 E CA -0.506 55.683 56.400 -0.351 0.000 0.777 117 E CB 1.306 30.841 29.700 -0.276 0.000 1.108 117 E HN 0.453 nan 8.360 nan 0.000 0.401 118 Y N 1.576 121.644 120.300 -0.387 0.000 2.728 118 Y HA 0.435 4.980 4.550 -0.010 0.000 0.330 118 Y C -0.259 175.523 175.900 -0.196 0.000 1.234 118 Y CA -1.575 56.395 58.100 -0.218 0.000 1.070 118 Y CB 0.382 38.780 38.460 -0.104 0.000 1.300 118 Y HN 0.511 nan 8.280 nan 0.000 0.467 119 N N -0.339 118.326 118.700 -0.058 0.000 2.721 119 N HA -0.298 4.436 4.740 -0.010 0.000 0.249 119 N C -1.041 174.394 175.510 -0.126 0.000 1.072 119 N CA 1.034 54.007 53.050 -0.129 0.000 0.710 119 N CB -1.618 36.678 38.487 -0.318 0.000 0.993 119 N HN 0.851 nan 8.380 nan 0.000 0.547 120 Y N 0.040 120.231 120.300 -0.182 0.000 2.544 120 Y HA 0.302 4.846 4.550 -0.010 0.000 0.330 120 Y C -0.015 175.813 175.900 -0.120 0.000 1.136 120 Y CA -0.037 57.947 58.100 -0.193 0.000 1.417 120 Y CB 0.703 38.999 38.460 -0.274 0.000 1.229 120 Y HN -0.013 nan 8.280 nan 0.000 0.532 121 V N 8.211 127.686 119.914 -0.733 0.000 2.419 121 V HA 0.194 4.309 4.120 -0.010 0.000 0.287 121 V C -0.269 175.414 176.094 -0.686 0.000 1.017 121 V CA -1.372 60.598 62.300 -0.549 0.000 0.844 121 V CB 1.258 32.927 31.823 -0.258 0.000 1.011 121 V HN 0.774 nan 8.190 nan 0.000 0.429 122 K N 3.771 123.769 120.400 -0.671 0.000 2.355 122 K HA 0.233 4.547 4.320 -0.010 0.000 0.270 122 K C 0.340 176.789 176.600 -0.252 0.000 1.003 122 K CA 0.252 56.330 56.287 -0.348 0.000 0.957 122 K CB 1.231 33.712 32.500 -0.031 0.000 0.939 122 K HN 0.809 nan 8.250 nan 0.000 0.482 123 Q N 2.664 122.308 119.800 -0.260 0.000 2.653 123 Q HA 0.191 4.526 4.340 -0.010 0.000 0.212 123 Q C -0.106 175.705 176.000 -0.315 0.000 0.951 123 Q CA -0.495 54.966 55.803 -0.570 0.000 0.535 123 Q CB 0.171 28.371 28.738 -0.896 0.000 3.737 123 Q HN 0.726 nan 8.270 nan 0.000 0.401 124 W N 0.455 121.768 121.300 0.022 0.000 1.833 124 W HA 0.369 5.023 4.660 -0.010 0.000 0.593 124 W C 1.758 178.284 176.519 0.011 0.000 1.936 124 W CA -0.721 56.665 57.345 0.069 0.000 2.192 124 W CB -0.055 29.410 29.460 0.008 0.000 2.633 124 W HN 0.327 nan 8.180 nan 0.000 0.783 125 R N -0.587 120.038 120.500 0.208 0.000 2.120 125 R HA -0.152 4.182 4.340 -0.010 0.000 0.234 125 R C 1.428 177.560 176.300 -0.280 0.000 1.123 125 R CA 2.024 58.064 56.100 -0.100 0.000 0.975 125 R CB -0.296 29.822 30.300 -0.304 0.000 0.866 125 R HN 0.569 nan 8.270 nan 0.000 0.446 126 H N -1.714 117.448 119.070 0.153 0.000 2.800 126 H HA 0.165 4.715 4.556 -0.009 0.000 0.257 126 H C 0.561 175.980 175.328 0.152 0.000 0.967 126 H CA 0.251 56.402 56.048 0.171 0.000 1.192 126 H CB 0.485 30.321 29.762 0.124 0.000 1.441 126 H HN 0.113 nan 8.280 nan 0.000 0.461 127 S N 0.948 116.662 115.700 0.023 0.000 2.593 127 S HA 0.332 4.797 4.470 -0.010 0.000 0.269 127 S C -0.450 174.008 174.600 -0.235 0.000 1.334 127 S CA -0.340 57.570 58.200 -0.483 0.000 1.015 127 S CB 0.668 63.105 63.200 -1.272 0.000 0.912 127 S HN 0.476 nan 8.310 nan 0.000 0.541 128 Y N -2.532 117.580 120.300 -0.313 0.000 2.810 128 Y HA 0.610 5.154 4.550 -0.010 0.000 0.355 128 Y C -0.907 174.951 175.900 -0.069 0.000 1.211 128 Y CA -0.791 57.156 58.100 -0.254 0.000 1.112 128 Y CB 0.378 38.683 38.460 -0.258 0.000 1.383 128 Y HN 0.971 nan 8.280 nan 0.000 0.458 129 T N -0.092 114.554 114.554 0.153 0.000 2.916 129 T HA 1.041 5.385 4.350 -0.010 0.000 0.292 129 T C -0.566 174.236 174.700 0.171 0.000 1.064 129 T CA -0.202 61.996 62.100 0.163 0.000 1.011 129 T CB 1.816 70.712 68.868 0.047 0.000 1.152 129 T HN 2.071 nan 8.240 nan 0.000 0.510 130 A N 0.696 123.591 122.820 0.124 0.000 2.540 130 A HA 0.753 5.067 4.320 -0.010 0.000 0.291 130 A C -0.711 176.693 177.584 -0.300 0.000 1.083 130 A CA -0.980 50.975 52.037 -0.136 0.000 0.650 130 A CB 0.898 19.787 19.000 -0.185 0.000 1.292 130 A HN 0.890 nan 8.150 nan 0.000 0.435 131 S N -0.552 114.716 115.700 -0.720 0.000 2.565 131 S HA 0.803 5.267 4.470 -0.010 0.000 0.290 131 S C -1.448 172.576 174.600 -0.959 0.000 1.150 131 S CA -0.059 57.635 58.200 -0.843 0.000 1.058 131 S CB 0.631 62.960 63.200 -1.451 0.000 1.032 131 S HN 0.449 nan 8.310 nan 0.000 0.510 132 Y N 0.182 120.296 120.300 -0.311 0.000 2.512 132 Y HA 0.520 5.064 4.550 -0.010 0.000 0.348 132 Y C -0.297 175.656 175.900 0.089 0.000 0.990 132 Y CA -0.955 57.106 58.100 -0.066 0.000 1.033 132 Y CB 1.757 40.117 38.460 -0.166 0.000 1.259 132 Y HN 0.483 nan 8.280 nan 0.000 0.461 133 D N 1.996 122.596 120.400 0.333 0.000 2.738 133 D HA 0.514 5.148 4.640 -0.010 0.000 0.237 133 D C -1.017 175.428 176.300 0.241 0.000 1.123 133 D CA -0.324 53.843 54.000 0.278 0.000 0.856 133 D CB 2.588 43.615 40.800 0.379 0.000 1.552 133 D HN 0.399 nan 8.370 nan 0.000 0.480 134 I N 2.180 122.882 120.570 0.220 0.000 2.354 134 I HA 0.224 4.389 4.170 -0.010 0.000 0.292 134 I C -0.844 175.512 176.117 0.398 0.000 0.989 134 I CA -0.929 60.542 61.300 0.285 0.000 1.188 134 I CB 1.238 39.331 38.000 0.155 0.000 1.342 134 I HN 0.227 nan 8.210 nan 0.000 0.457 135 Y N 5.772 126.278 120.300 0.344 0.000 2.341 135 Y HA 0.285 4.829 4.550 -0.009 0.000 0.337 135 Y C -0.120 176.018 175.900 0.396 0.000 1.014 135 Y CA -0.782 57.532 58.100 0.356 0.000 1.111 135 Y CB 1.096 39.804 38.460 0.413 0.000 1.194 135 Y HN 0.467 nan 8.280 nan 0.000 0.462 136 D N 6.250 126.561 120.400 -0.148 0.000 2.339 136 D HA 0.094 4.728 4.640 -0.010 0.000 0.241 136 D C 0.783 176.753 176.300 -0.551 0.000 1.183 136 D CA 0.301 54.199 54.000 -0.170 0.000 0.859 136 D CB 0.945 41.706 40.800 -0.064 0.000 1.067 136 D HN 0.869 nan 8.370 nan 0.000 0.484 137 L N 3.769 124.754 121.223 -0.397 0.000 2.093 137 L HA -0.187 4.147 4.340 -0.010 0.000 0.208 137 L C 1.852 178.525 176.870 -0.329 0.000 1.085 137 L CA 0.714 55.364 54.840 -0.318 0.000 0.755 137 L CB -0.217 41.703 42.059 -0.230 0.000 0.904 137 L HN 0.325 nan 8.230 nan 0.000 0.435 138 N N 0.779 119.269 118.700 -0.349 0.000 2.062 138 N HA -0.180 4.554 4.740 -0.010 0.000 0.191 138 N C 1.513 176.894 175.510 -0.216 0.000 1.042 138 N CA 1.462 54.352 53.050 -0.267 0.000 0.845 138 N CB -0.225 38.103 38.487 -0.265 0.000 1.024 138 N HN 0.380 nan 8.380 nan 0.000 0.424 139 K N 0.901 121.172 120.400 -0.214 0.000 2.458 139 K HA 0.192 4.506 4.320 -0.010 0.000 0.194 139 K C -0.488 176.000 176.600 -0.186 0.000 1.024 139 K CA -0.144 56.048 56.287 -0.157 0.000 1.108 139 K CB 0.158 32.594 32.500 -0.107 0.000 0.846 139 K HN -0.035 nan 8.250 nan 0.000 0.518 140 R N 1.373 121.692 120.500 -0.301 0.000 2.965 140 R HA -0.219 4.115 4.340 -0.010 0.000 0.245 140 R C -0.989 175.155 176.300 -0.260 0.000 0.861 140 R CA 0.800 56.686 56.100 -0.356 0.000 0.614 140 R CB -1.596 28.657 30.300 -0.077 0.000 1.229 140 R HN 0.659 nan 8.270 nan 0.000 0.503 141 Q N 0.905 120.434 119.800 -0.452 0.000 2.327 141 Q HA 0.329 4.664 4.340 -0.010 0.000 0.265 141 Q C -0.980 175.060 176.000 0.066 0.000 0.993 141 Q CA -0.745 55.028 55.803 -0.050 0.000 0.885 141 Q CB 1.564 30.290 28.738 -0.021 0.000 1.379 141 Q HN 0.359 nan 8.270 nan 0.000 0.408 142 L N 4.783 126.215 121.223 0.347 0.000 2.477 142 L HA 0.226 4.560 4.340 -0.010 0.000 0.272 142 L C 0.049 177.050 176.870 0.218 0.000 1.157 142 L CA 0.014 55.092 54.840 0.397 0.000 0.889 142 L CB 0.268 42.581 42.059 0.423 0.000 1.158 142 L HN 0.606 nan 8.230 nan 0.000 0.473 143 I N 3.537 124.222 120.570 0.191 0.000 2.581 143 I HA -0.055 4.109 4.170 -0.010 0.000 0.285 143 I C 1.335 177.504 176.117 0.086 0.000 1.129 143 I CA 0.256 61.622 61.300 0.109 0.000 1.397 143 I CB 0.819 38.863 38.000 0.074 0.000 1.399 143 I HN 0.689 nan 8.210 nan 0.000 0.537 144 T N 1.524 116.113 114.554 0.059 0.000 3.092 144 T HA 0.142 4.486 4.350 -0.010 0.000 0.258 144 T C 0.379 175.081 174.700 0.003 0.000 1.031 144 T CA -0.476 61.647 62.100 0.037 0.000 0.925 144 T CB -0.061 68.830 68.868 0.039 0.000 1.036 144 T HN 0.647 nan 8.240 nan 0.000 0.544 145 E N 1.035 121.230 120.200 -0.008 0.000 2.221 145 E HA 0.285 4.629 4.350 -0.010 0.000 0.268 145 E C -0.730 175.836 176.600 -0.057 0.000 0.933 145 E CA -0.759 55.623 56.400 -0.030 0.000 0.809 145 E CB 0.975 30.662 29.700 -0.021 0.000 1.190 145 E HN 0.047 nan 8.360 nan 0.000 0.406 146 E N 0.779 120.933 120.200 -0.077 0.000 2.199 146 E HA -0.249 4.096 4.350 -0.010 0.000 0.208 146 E C -0.101 176.414 176.600 -0.141 0.000 1.310 146 E CA 0.905 57.239 56.400 -0.110 0.000 0.709 146 E CB -1.573 28.069 29.700 -0.098 0.000 1.127 146 E HN 0.663 nan 8.360 nan 0.000 0.354 147 R N -0.404 120.008 120.500 -0.147 0.000 2.615 147 R HA 0.492 4.827 4.340 -0.010 0.000 0.270 147 R C 0.781 176.901 176.300 -0.301 0.000 1.081 147 R CA -0.641 55.356 56.100 -0.172 0.000 1.154 147 R CB 0.673 30.907 30.300 -0.109 0.000 1.063 147 R HN 0.031 nan 8.270 nan 0.000 0.519 148 I N 2.508 122.859 120.570 -0.366 0.000 2.618 148 I HA 0.078 4.243 4.170 -0.010 0.000 0.284 148 I C -1.737 174.066 176.117 -0.523 0.000 1.146 148 I CA -1.949 58.977 61.300 -0.623 0.000 1.425 148 I CB 0.596 38.202 38.000 -0.656 0.000 1.383 148 I HN 0.429 nan 8.210 nan 0.000 0.562 149 P HA 0.022 nan 4.420 nan 0.000 0.268 149 P C -0.707 176.380 177.300 -0.355 0.000 1.208 149 P CA -0.146 62.529 63.100 -0.709 0.000 0.777 149 P CB 0.347 31.085 31.700 -1.602 0.000 0.875 150 N N 2.530 121.115 118.700 -0.192 0.000 2.444 150 N HA 0.041 4.775 4.740 -0.010 0.000 0.255 150 N C 0.365 175.950 175.510 0.124 0.000 1.255 150 N CA 0.207 53.211 53.050 -0.076 0.000 0.933 150 N CB -0.236 38.212 38.487 -0.064 0.000 1.143 150 N HN 0.417 nan 8.380 nan 0.000 0.453 151 N N -1.005 117.743 118.700 0.081 0.000 2.780 151 N HA -0.152 4.582 4.740 -0.010 0.000 0.248 151 N C -0.857 174.823 175.510 0.283 0.000 1.102 151 N CA 0.672 53.812 53.050 0.150 0.000 0.697 151 N CB -1.743 36.839 38.487 0.158 0.000 1.028 151 N HN 0.465 nan 8.380 nan 0.000 0.554 152 T N 0.819 115.540 114.554 0.278 0.000 2.884 152 T HA 0.136 4.481 4.350 -0.010 0.000 0.298 152 T C 1.722 176.587 174.700 0.275 0.000 0.998 152 T CA -0.009 62.283 62.100 0.320 0.000 1.124 152 T CB 1.225 70.185 68.868 0.154 0.000 0.931 152 T HN 0.160 nan 8.240 nan 0.000 0.531 153 Q N 1.830 121.785 119.800 0.258 0.000 2.269 153 Q HA 0.132 4.466 4.340 -0.010 0.000 0.201 153 Q C 0.149 176.340 176.000 0.319 0.000 0.946 153 Q CA 0.458 56.441 55.803 0.300 0.000 0.877 153 Q CB 0.701 29.569 28.738 0.216 0.000 0.963 153 Q HN 0.686 nan 8.270 nan 0.000 0.472 154 W N -0.418 120.859 121.300 -0.039 0.000 3.645 154 W HA 0.419 5.073 4.660 -0.010 0.000 0.285 154 W C -2.420 174.011 176.519 -0.148 0.000 1.266 154 W CA -0.554 56.719 57.345 -0.119 0.000 1.212 154 W CB 1.024 30.355 29.460 -0.215 0.000 1.306 154 W HN -0.371 nan 8.180 nan 0.000 0.552 155 V N 3.514 122.684 119.914 -1.241 0.000 2.888 155 V HA 0.723 4.837 4.120 -0.010 0.000 0.309 155 V C -0.537 174.956 176.094 -1.002 0.000 1.114 155 V CA -0.533 61.197 62.300 -0.950 0.000 0.940 155 V CB 2.050 33.221 31.823 -1.087 0.000 1.021 155 V HN 0.493 nan 8.190 nan 0.000 0.426 156 T N 2.898 117.173 114.554 -0.466 0.000 3.097 156 T HA 0.481 4.825 4.350 -0.010 0.000 0.332 156 T C -1.440 173.296 174.700 0.062 0.000 1.269 156 T CA -0.346 61.673 62.100 -0.135 0.000 1.076 156 T CB 0.703 69.714 68.868 0.238 0.000 1.209 156 T HN 0.490 nan 8.240 nan 0.000 0.474 157 W N 2.933 124.298 121.300 0.108 0.000 2.049 157 W HA 0.483 5.137 4.660 -0.009 0.000 0.356 157 W C 1.310 177.720 176.519 -0.182 0.000 1.323 157 W CA -0.396 56.965 57.345 0.026 0.000 1.336 157 W CB 0.491 29.957 29.460 0.011 0.000 1.176 157 W HN 0.784 nan 8.180 nan 0.000 0.623 158 S N 0.342 115.839 115.700 -0.339 0.000 2.634 158 S HA 0.246 4.711 4.470 -0.010 0.000 0.261 158 S C -1.951 172.365 174.600 -0.473 0.000 1.271 158 S CA -0.980 56.437 58.200 -1.306 0.000 0.985 158 S CB 0.757 63.099 63.200 -1.429 0.000 0.968 158 S HN 0.247 nan 8.310 nan 0.000 0.568 159 P HA 0.044 nan 4.420 nan 0.000 0.225 159 P C 1.146 178.400 177.300 -0.077 0.000 1.156 159 P CA 0.560 63.598 63.100 -0.104 0.000 0.787 159 P CB -0.057 31.623 31.700 -0.033 0.000 0.802 160 V N -6.271 113.562 119.914 -0.134 0.000 3.371 160 V HA 0.491 4.605 4.120 -0.010 0.000 0.246 160 V C 1.329 177.377 176.094 -0.076 0.000 1.303 160 V CA 0.876 63.129 62.300 -0.080 0.000 1.156 160 V CB -0.357 31.426 31.823 -0.067 0.000 0.929 160 V HN 0.040 nan 8.190 nan 0.000 0.459 161 G N 1.108 109.835 108.800 -0.122 0.000 3.157 161 G HA2 0.343 4.298 3.960 -0.010 0.000 0.206 161 G HA3 0.343 4.298 3.960 -0.010 0.000 0.206 161 G C 0.629 175.529 174.900 0.000 0.000 1.903 161 G CA 0.558 45.601 45.100 -0.094 0.000 0.771 161 G HN 0.778 nan 8.290 nan 0.000 0.750 162 H N -0.360 118.761 119.070 0.085 0.000 2.904 162 H HA 0.406 4.956 4.556 -0.010 0.000 0.242 162 H C -0.310 175.246 175.328 0.380 0.000 1.193 162 H CA -0.440 55.769 56.048 0.268 0.000 0.946 162 H CB -0.167 29.811 29.762 0.361 0.000 2.135 162 H HN 0.146 nan 8.280 nan 0.000 0.652 163 K N 1.600 122.056 120.400 0.093 0.000 2.219 163 K HA 0.469 4.783 4.320 -0.010 0.000 0.258 163 K C -0.390 176.326 176.600 0.193 0.000 1.008 163 K CA -0.288 56.044 56.287 0.075 0.000 0.928 163 K CB 1.517 33.924 32.500 -0.155 0.000 0.983 163 K HN 0.140 nan 8.250 nan 0.000 0.484 164 L N 1.092 122.453 121.223 0.230 0.000 2.401 164 L HA 0.586 4.920 4.340 -0.010 0.000 0.266 164 L C -0.988 176.075 176.870 0.322 0.000 0.991 164 L CA -0.876 54.053 54.840 0.149 0.000 0.818 164 L CB 2.159 44.137 42.059 -0.135 0.000 1.321 164 L HN 0.698 nan 8.230 nan 0.000 0.413 165 A N 2.639 125.631 122.820 0.285 0.000 2.374 165 A HA 0.846 5.160 4.320 -0.010 0.000 0.305 165 A C -1.640 175.978 177.584 0.057 0.000 1.053 165 A CA -0.378 51.714 52.037 0.092 0.000 0.726 165 A CB 1.322 20.274 19.000 -0.080 0.000 1.229 165 A HN 0.662 nan 8.150 nan 0.000 0.431 166 Y N -0.686 119.565 120.300 -0.081 0.000 2.597 166 Y HA 0.750 5.294 4.550 -0.010 0.000 0.340 166 Y C -1.335 174.576 175.900 0.017 0.000 1.097 166 Y CA -1.531 56.506 58.100 -0.105 0.000 1.037 166 Y CB 1.060 39.391 38.460 -0.216 0.000 1.305 166 Y HN 0.424 nan 8.280 nan 0.000 0.463 167 V N 2.046 122.083 119.914 0.206 0.000 2.495 167 V HA 0.394 4.508 4.120 -0.010 0.000 0.298 167 V C -1.482 174.823 176.094 0.353 0.000 1.031 167 V CA -0.610 61.782 62.300 0.153 0.000 0.871 167 V CB 1.448 33.275 31.823 0.007 0.000 0.988 167 V HN 0.867 nan 8.190 nan 0.000 0.432 168 W N 4.920 126.317 121.300 0.161 0.000 2.968 168 W HA 0.467 5.122 4.660 -0.009 0.000 0.337 168 W C 0.287 176.859 176.519 0.088 0.000 1.060 168 W CA -0.795 56.624 57.345 0.124 0.000 1.240 168 W CB 1.188 30.704 29.460 0.094 0.000 1.370 168 W HN 0.802 nan 8.180 nan 0.000 0.459 169 N N 5.532 123.896 118.700 -0.561 0.000 2.735 169 N HA -0.340 4.394 4.740 -0.010 0.000 0.248 169 N C 0.201 175.542 175.510 -0.281 0.000 1.083 169 N CA 0.989 53.699 53.050 -0.566 0.000 0.703 169 N CB -1.131 36.822 38.487 -0.890 0.000 1.005 169 N HN 0.858 nan 8.380 nan 0.000 0.550 170 N N -1.952 116.639 118.700 -0.182 0.000 2.863 170 N HA -0.167 4.567 4.740 -0.010 0.000 0.245 170 N C -1.191 174.227 175.510 -0.153 0.000 1.001 170 N CA 1.105 54.060 53.050 -0.158 0.000 0.901 170 N CB -0.388 37.961 38.487 -0.231 0.000 1.124 170 N HN 0.425 nan 8.380 nan 0.000 0.582 171 D N 0.483 120.801 120.400 -0.136 0.000 2.299 171 D HA 0.526 5.160 4.640 -0.010 0.000 0.243 171 D C 0.237 176.339 176.300 -0.331 0.000 0.982 171 D CA -0.335 53.499 54.000 -0.276 0.000 0.924 171 D CB 1.592 42.173 40.800 -0.364 0.000 1.238 171 D HN 0.028 nan 8.370 nan 0.000 0.484 172 I N 1.233 121.440 120.570 -0.605 0.000 2.488 172 I HA 0.300 4.464 4.170 -0.010 0.000 0.299 172 I C -0.770 174.800 176.117 -0.911 0.000 0.984 172 I CA -0.553 60.373 61.300 -0.625 0.000 1.250 172 I CB 0.763 38.337 38.000 -0.709 0.000 1.389 172 I HN 0.180 nan 8.210 nan 0.000 0.488 173 Y N 3.329 123.214 120.300 -0.691 0.000 2.524 173 Y HA 0.588 5.132 4.550 -0.010 0.000 0.347 173 Y C -0.523 175.041 175.900 -0.560 0.000 1.005 173 Y CA -0.921 56.745 58.100 -0.724 0.000 1.025 173 Y CB 2.070 39.818 38.460 -1.186 0.000 1.275 173 Y HN 0.091 nan 8.280 nan 0.000 0.460 174 V N 2.826 122.693 119.914 -0.078 0.000 2.540 174 V HA 0.468 4.582 4.120 -0.010 0.000 0.302 174 V C -0.705 175.526 176.094 0.229 0.000 1.035 174 V CA -1.315 61.037 62.300 0.087 0.000 0.873 174 V CB 1.919 33.812 31.823 0.117 0.000 0.992 174 V HN 0.612 nan 8.190 nan 0.000 0.428 175 K N 3.880 124.417 120.400 0.227 0.000 2.425 175 K HA 0.547 4.861 4.320 -0.010 0.000 0.259 175 K C 0.522 177.248 176.600 0.210 0.000 0.978 175 K CA -0.475 55.922 56.287 0.183 0.000 0.883 175 K CB 1.710 34.278 32.500 0.112 0.000 1.110 175 K HN 0.579 nan 8.250 nan 0.000 0.436 176 I N 1.132 121.849 120.570 0.245 0.000 2.439 176 I HA -0.109 4.055 4.170 -0.010 0.000 0.251 176 I C 0.448 176.679 176.117 0.190 0.000 1.139 176 I CA 1.143 62.568 61.300 0.209 0.000 1.438 176 I CB 0.257 38.400 38.000 0.238 0.000 1.085 176 I HN 0.443 nan 8.210 nan 0.000 0.427 177 E N -0.258 120.043 120.200 0.168 0.000 2.293 177 E HA 0.249 4.594 4.350 -0.010 0.000 0.270 177 E C -1.949 174.655 176.600 0.007 0.000 0.879 177 E CA -1.916 54.580 56.400 0.160 0.000 0.756 177 E CB 1.757 31.540 29.700 0.137 0.000 1.208 177 E HN -0.227 nan 8.360 nan 0.000 0.428 178 P HA -0.148 nan 4.420 nan 0.000 0.218 178 P C 0.735 177.941 177.300 -0.156 0.000 1.146 178 P CA 1.268 64.208 63.100 -0.267 0.000 0.813 178 P CB 0.309 31.593 31.700 -0.694 0.000 0.778 179 N N -1.721 116.917 118.700 -0.102 0.000 2.203 179 N HA 0.049 4.784 4.740 -0.010 0.000 0.207 179 N C -0.129 175.355 175.510 -0.044 0.000 1.130 179 N CA 0.116 53.133 53.050 -0.055 0.000 0.861 179 N CB -0.090 38.385 38.487 -0.021 0.000 1.005 179 N HN 0.062 nan 8.380 nan 0.000 0.507 180 L N 1.207 122.403 121.223 -0.044 0.000 2.360 180 L HA 0.565 4.900 4.340 -0.010 0.000 0.271 180 L C -2.158 174.650 176.870 -0.102 0.000 1.057 180 L CA -2.070 52.738 54.840 -0.053 0.000 0.803 180 L CB 0.883 42.930 42.059 -0.021 0.000 1.207 180 L HN -0.114 nan 8.230 nan 0.000 0.445 181 P HA 0.118 nan 4.420 nan 0.000 0.267 181 P C -0.811 176.317 177.300 -0.288 0.000 1.200 181 P CA -0.030 62.958 63.100 -0.188 0.000 0.772 181 P CB 0.506 32.096 31.700 -0.184 0.000 0.855 182 S N 1.263 116.854 115.700 -0.181 0.000 2.603 182 S HA 0.300 4.765 4.470 -0.010 0.000 0.268 182 S C -0.532 173.953 174.600 -0.190 0.000 1.317 182 S CA -0.036 58.099 58.200 -0.107 0.000 1.012 182 S CB -0.010 63.238 63.200 0.080 0.000 0.926 182 S HN 0.257 nan 8.310 nan 0.000 0.539 183 Y N 0.901 121.235 120.300 0.057 0.000 2.334 183 Y HA 0.382 4.926 4.550 -0.010 0.000 0.336 183 Y C 0.639 176.481 175.900 -0.095 0.000 0.960 183 Y CA -0.640 57.470 58.100 0.017 0.000 1.164 183 Y CB 0.762 39.225 38.460 0.005 0.000 1.155 183 Y HN 0.480 nan 8.280 nan 0.000 0.478 184 R N 4.044 124.517 120.500 -0.045 0.000 2.316 184 R HA 0.182 4.516 4.340 -0.010 0.000 0.314 184 R C 0.252 176.278 176.300 -0.457 0.000 1.069 184 R CA -0.010 55.730 56.100 -0.601 0.000 0.959 184 R CB 0.354 30.055 30.300 -0.998 0.000 0.987 184 R HN 0.779 nan 8.270 nan 0.000 0.446 185 I N 2.120 122.346 120.570 -0.574 0.000 2.703 185 I HA -0.028 4.137 4.170 -0.010 0.000 0.259 185 I C 1.197 177.094 176.117 -0.368 0.000 1.151 185 I CA 0.971 62.048 61.300 -0.373 0.000 1.470 185 I CB -0.351 37.388 38.000 -0.435 0.000 1.112 185 I HN 0.517 nan 8.210 nan 0.000 0.437 186 T N -1.308 112.884 114.554 -0.603 0.000 2.900 186 T HA 0.357 4.702 4.350 -0.010 0.000 0.295 186 T C -1.205 173.173 174.700 -0.537 0.000 1.044 186 T CA -0.363 61.487 62.100 -0.416 0.000 0.995 186 T CB 1.141 69.754 68.868 -0.425 0.000 1.072 186 T HN 0.149 nan 8.240 nan 0.000 0.473 187 W N 1.754 122.936 121.300 -0.197 0.000 2.684 187 W HA 0.243 4.897 4.660 -0.010 0.000 0.381 187 W C 1.839 178.298 176.519 -0.100 0.000 0.975 187 W CA -0.175 57.091 57.345 -0.132 0.000 1.789 187 W CB 0.096 29.501 29.460 -0.092 0.000 1.161 187 W HN 0.805 nan 8.180 nan 0.000 0.564 188 T N -3.039 111.544 114.554 0.049 0.000 3.040 188 T HA 0.288 4.632 4.350 -0.010 0.000 0.250 188 T C 1.264 175.953 174.700 -0.017 0.000 1.058 188 T CA 0.210 62.327 62.100 0.028 0.000 0.988 188 T CB -0.118 68.763 68.868 0.022 0.000 0.993 188 T HN -0.004 nan 8.240 nan 0.000 0.519 189 G N 1.227 109.984 108.800 -0.071 0.000 2.391 189 G HA2 0.355 4.310 3.960 -0.010 0.000 0.234 189 G HA3 0.355 4.310 3.960 -0.010 0.000 0.234 189 G C -0.628 174.207 174.900 -0.108 0.000 1.284 189 G CA -0.334 44.701 45.100 -0.108 0.000 0.873 189 G HN 0.587 nan 8.290 nan 0.000 0.549 190 K N 1.373 121.686 120.400 -0.144 0.000 2.589 190 K HA 0.152 4.466 4.320 -0.010 0.000 0.253 190 K C -0.237 176.245 176.600 -0.197 0.000 0.974 190 K CA -0.659 55.547 56.287 -0.134 0.000 0.835 190 K CB 1.500 33.960 32.500 -0.067 0.000 1.272 190 K HN 0.655 nan 8.250 nan 0.000 0.444 191 E N 3.388 123.477 120.200 -0.184 0.000 2.765 191 E HA -0.183 4.161 4.350 -0.010 0.000 0.256 191 E C -0.583 175.939 176.600 -0.131 0.000 0.935 191 E CA 1.169 57.461 56.400 -0.180 0.000 0.954 191 E CB 0.199 29.828 29.700 -0.118 0.000 0.908 191 E HN 0.647 nan 8.360 nan 0.000 0.500 192 D N 2.559 122.869 120.400 -0.151 0.000 3.046 192 D HA -0.234 4.400 4.640 -0.010 0.000 0.210 192 D C 0.526 176.913 176.300 0.145 0.000 1.124 192 D CA 1.346 55.391 54.000 0.075 0.000 0.986 192 D CB -0.488 40.380 40.800 0.114 0.000 1.118 192 D HN 0.433 nan 8.370 nan 0.000 0.416 193 I N -0.721 119.851 120.570 0.004 0.000 3.746 193 I HA 0.201 4.366 4.170 -0.010 0.000 0.262 193 I C 0.976 177.204 176.117 0.186 0.000 1.153 193 I CA 0.441 61.817 61.300 0.126 0.000 1.395 193 I CB 0.201 38.236 38.000 0.058 0.000 1.589 193 I HN -0.138 nan 8.210 nan 0.000 0.441 194 I N 1.264 121.842 120.570 0.013 0.000 2.389 194 I HA 0.243 4.407 4.170 -0.010 0.000 0.288 194 I C -1.437 174.673 176.117 -0.012 0.000 0.999 194 I CA -0.603 60.761 61.300 0.107 0.000 1.129 194 I CB 1.575 39.612 38.000 0.061 0.000 1.288 194 I HN -0.027 nan 8.210 nan 0.000 0.444 195 Y N 4.829 125.212 120.300 0.139 0.000 2.356 195 Y HA 0.383 4.927 4.550 -0.010 0.000 0.334 195 Y C 0.116 176.063 175.900 0.080 0.000 0.958 195 Y CA -1.063 57.117 58.100 0.133 0.000 1.196 195 Y CB 0.701 39.318 38.460 0.262 0.000 1.137 195 Y HN 0.433 nan 8.280 nan 0.000 0.485 196 N N 2.406 121.153 118.700 0.079 0.000 2.469 196 N HA 0.343 5.077 4.740 -0.010 0.000 0.253 196 N C 0.871 176.312 175.510 -0.116 0.000 0.970 196 N CA 0.461 53.495 53.050 -0.026 0.000 0.940 196 N CB 1.763 40.143 38.487 -0.178 0.000 1.128 196 N HN 0.985 nan 8.380 nan 0.000 0.503 197 G N 1.704 110.458 108.800 -0.076 0.000 2.179 197 G HA2 -0.245 3.709 3.960 -0.010 0.000 0.260 197 G HA3 -0.245 3.709 3.960 -0.010 0.000 0.260 197 G C 0.091 174.838 174.900 -0.255 0.000 0.977 197 G CA 0.572 45.551 45.100 -0.201 0.000 0.641 197 G HN 0.653 nan 8.290 nan 0.000 0.533 198 I N -1.753 118.742 120.570 -0.125 0.000 2.894 198 I HA 0.768 4.932 4.170 -0.010 0.000 0.302 198 I C 0.281 176.452 176.117 0.089 0.000 1.188 198 I CA -0.664 60.478 61.300 -0.264 0.000 1.014 198 I CB 1.949 39.592 38.000 -0.594 0.000 1.242 198 I HN 0.184 nan 8.210 nan 0.000 0.430 199 T N -0.126 114.420 114.554 -0.013 0.000 2.882 199 T HA 0.345 4.689 4.350 -0.010 0.000 0.287 199 T C -0.139 174.435 174.700 -0.210 0.000 1.014 199 T CA -0.591 61.397 62.100 -0.187 0.000 1.049 199 T CB 1.140 69.954 68.868 -0.089 0.000 1.001 199 T HN 0.764 nan 8.240 nan 0.000 0.525 200 D N 0.471 120.485 120.400 -0.643 0.000 2.478 200 D HA 0.044 4.678 4.640 -0.010 0.000 0.269 200 D C 0.979 177.217 176.300 -0.103 0.000 1.232 200 D CA -1.148 52.452 54.000 -0.668 0.000 1.059 200 D CB 0.129 40.410 40.800 -0.865 0.000 1.104 200 D HN 0.713 nan 8.370 nan 0.000 0.566 201 W N 0.299 121.565 121.300 -0.057 0.000 2.302 201 W HA -0.255 4.400 4.660 -0.008 0.000 0.320 201 W C 2.154 178.573 176.519 -0.166 0.000 1.241 201 W CA 2.604 59.902 57.345 -0.078 0.000 1.264 201 W CB -0.460 28.882 29.460 -0.198 0.000 1.154 201 W HN 0.201 nan 8.180 nan 0.000 0.483 202 V N -0.293 119.673 119.914 0.085 0.000 2.453 202 V HA -0.283 3.832 4.120 -0.010 0.000 0.247 202 V C 1.893 177.801 176.094 -0.310 0.000 1.048 202 V CA 2.014 64.239 62.300 -0.125 0.000 1.049 202 V CB -0.752 31.026 31.823 -0.075 0.000 0.672 202 V HN 0.296 nan 8.190 nan 0.000 0.457 203 Y N 0.695 120.798 120.300 -0.329 0.000 2.242 203 Y HA -0.180 4.365 4.550 -0.010 0.000 0.291 203 Y C 2.596 178.368 175.900 -0.213 0.000 1.137 203 Y CA 2.155 60.061 58.100 -0.323 0.000 1.181 203 Y CB -0.112 38.022 38.460 -0.543 0.000 0.989 203 Y HN 0.384 nan 8.280 nan 0.000 0.527 204 E N 0.288 120.438 120.200 -0.084 0.000 2.051 204 E HA -0.302 4.042 4.350 -0.010 0.000 0.192 204 E C 1.971 178.502 176.600 -0.115 0.000 0.991 204 E CA 1.654 58.029 56.400 -0.041 0.000 0.799 204 E CB -0.004 29.688 29.700 -0.013 0.000 0.748 204 E HN 0.427 nan 8.360 nan 0.000 0.449 205 E N -0.019 119.949 120.200 -0.387 0.000 2.122 205 E HA -0.117 4.228 4.350 -0.010 0.000 0.190 205 E C 1.524 177.988 176.600 -0.227 0.000 0.977 205 E CA 1.169 57.334 56.400 -0.392 0.000 0.820 205 E CB 0.252 29.370 29.700 -0.970 0.000 0.770 205 E HN 0.189 nan 8.360 nan 0.000 0.462 206 E N -0.640 119.399 120.200 -0.269 0.000 2.473 206 E HA 0.060 4.404 4.350 -0.010 0.000 0.204 206 E C 1.575 178.019 176.600 -0.259 0.000 0.994 206 E CA 0.712 56.996 56.400 -0.194 0.000 0.945 206 E CB 1.291 30.869 29.700 -0.203 0.000 0.990 206 E HN 0.296 nan 8.360 nan 0.000 0.493 207 V N -1.975 117.733 119.914 -0.342 0.000 3.029 207 V HA 0.151 4.265 4.120 -0.010 0.000 0.230 207 V C 1.107 176.953 176.094 -0.414 0.000 1.254 207 V CA 0.249 62.269 62.300 -0.466 0.000 1.276 207 V CB -0.212 31.152 31.823 -0.764 0.000 1.080 207 V HN -0.030 nan 8.190 nan 0.000 0.495 208 F N 1.771 121.715 119.950 -0.009 0.000 2.746 208 F HA 0.472 4.993 4.527 -0.010 0.000 0.297 208 F C 1.642 177.384 175.800 -0.096 0.000 1.113 208 F CA 0.527 58.537 58.000 0.017 0.000 1.367 208 F CB -0.254 38.806 39.000 0.100 0.000 1.111 208 F HN 0.227 nan 8.300 nan 0.000 0.590 209 S N 0.353 116.032 115.700 -0.035 0.000 3.581 209 S HA -0.001 4.463 4.470 -0.010 0.000 0.354 209 S C 0.104 174.279 174.600 -0.710 0.000 1.059 209 S CA 0.440 58.451 58.200 -0.314 0.000 1.060 209 S CB -1.740 61.346 63.200 -0.190 0.000 0.908 209 S HN 0.667 nan 8.310 nan 0.000 0.475 210 A N -0.661 121.970 122.820 -0.315 0.000 2.601 210 A HA 0.704 5.018 4.320 -0.010 0.000 0.291 210 A C -0.313 177.248 177.584 -0.037 0.000 1.075 210 A CA -0.467 51.431 52.037 -0.233 0.000 0.671 210 A CB 0.243 19.110 19.000 -0.220 0.000 1.277 210 A HN 0.333 nan 8.150 nan 0.000 0.417 211 Y N 1.243 121.395 120.300 -0.246 0.000 2.397 211 Y HA 0.209 4.753 4.550 -0.009 0.000 0.292 211 Y C 1.582 177.216 175.900 -0.443 0.000 1.115 211 Y CA 0.978 58.944 58.100 -0.224 0.000 1.208 211 Y CB -0.001 38.375 38.460 -0.140 0.000 1.046 211 Y HN 0.726 nan 8.280 nan 0.000 0.552 212 S N 0.710 115.903 115.700 -0.844 0.000 2.549 212 S HA 0.435 4.899 4.470 -0.010 0.000 0.283 212 S C 0.273 174.340 174.600 -0.888 0.000 1.320 212 S CA 0.167 57.613 58.200 -1.257 0.000 1.058 212 S CB 0.563 62.642 63.200 -1.868 0.000 0.882 212 S HN 0.444 nan 8.310 nan 0.000 0.498 213 A N 4.155 126.455 122.820 -0.866 0.000 2.843 213 A HA 0.519 4.833 4.320 -0.010 0.000 0.248 213 A C -0.814 176.148 177.584 -1.036 0.000 0.904 213 A CA -0.631 50.890 52.037 -0.860 0.000 1.091 213 A CB -0.390 18.527 19.000 -0.138 0.000 1.208 213 A HN 1.064 nan 8.150 nan 0.000 0.476 214 L N -4.825 115.563 121.223 -1.391 0.000 2.445 214 L HA 0.875 5.209 4.340 -0.010 0.000 0.262 214 L C -1.386 174.988 176.870 -0.828 0.000 0.974 214 L CA -1.131 53.239 54.840 -0.783 0.000 0.822 214 L CB 1.067 42.868 42.059 -0.430 0.000 1.339 214 L HN 0.220 nan 8.230 nan 0.000 0.409 215 W N 2.173 123.508 121.300 0.059 0.000 2.543 215 W HA 0.324 4.979 4.660 -0.010 0.000 0.318 215 W C -1.305 175.466 176.519 0.421 0.000 1.002 215 W CA -0.778 56.729 57.345 0.270 0.000 1.302 215 W CB 1.440 31.106 29.460 0.343 0.000 1.299 215 W HN 0.639 nan 8.180 nan 0.000 0.424 216 W N 2.566 124.077 121.300 0.352 0.000 2.193 216 W HA 0.142 4.796 4.660 -0.009 0.000 0.338 216 W C 1.368 177.757 176.519 -0.216 0.000 1.310 216 W CA 0.480 57.905 57.345 0.134 0.000 1.243 216 W CB 0.707 30.214 29.460 0.079 0.000 1.165 216 W HN 0.181 nan 8.180 nan 0.000 0.566 217 S N 2.793 118.271 115.700 -0.369 0.000 2.614 217 S HA 0.205 4.669 4.470 -0.010 0.000 0.265 217 S C -1.720 172.598 174.600 -0.470 0.000 1.303 217 S CA -1.080 56.283 58.200 -1.394 0.000 1.000 217 S CB 1.097 63.469 63.200 -1.379 0.000 0.935 217 S HN 0.293 nan 8.310 nan 0.000 0.551 218 P HA -0.211 nan 4.420 nan 0.000 0.219 218 P C 0.764 178.025 177.300 -0.066 0.000 1.158 218 P CA 1.955 65.003 63.100 -0.087 0.000 0.895 218 P CB -0.231 31.461 31.700 -0.012 0.000 0.792 219 N N -2.367 116.282 118.700 -0.085 0.000 2.251 219 N HA 0.169 4.903 4.740 -0.010 0.000 0.217 219 N C 0.995 176.435 175.510 -0.117 0.000 1.124 219 N CA 0.353 53.356 53.050 -0.077 0.000 0.843 219 N CB -0.722 37.735 38.487 -0.049 0.000 1.024 219 N HN 0.186 nan 8.380 nan 0.000 0.501 220 G N -0.911 107.822 108.800 -0.112 0.000 2.162 220 G HA2 -0.354 3.600 3.960 -0.010 0.000 0.260 220 G HA3 -0.354 3.600 3.960 -0.010 0.000 0.260 220 G C 0.947 175.887 174.900 0.067 0.000 0.976 220 G CA 0.892 45.928 45.100 -0.106 0.000 0.655 220 G HN 0.390 nan 8.290 nan 0.000 0.533 221 T N -0.221 114.311 114.554 -0.037 0.000 2.770 221 T HA 0.227 4.571 4.350 -0.010 0.000 0.263 221 T C 0.824 175.412 174.700 -0.187 0.000 1.039 221 T CA 1.201 63.195 62.100 -0.176 0.000 1.142 221 T CB -0.055 68.581 68.868 -0.386 0.000 0.868 221 T HN 0.279 nan 8.240 nan 0.000 0.435 222 F N 0.405 120.402 119.950 0.077 0.000 2.425 222 F HA 0.620 5.141 4.527 -0.010 0.000 0.331 222 F C -0.241 175.654 175.800 0.158 0.000 1.085 222 F CA -1.639 56.443 58.000 0.138 0.000 1.028 222 F CB 1.204 40.348 39.000 0.239 0.000 1.177 222 F HN -0.107 nan 8.300 nan 0.000 0.487 223 L N 2.956 124.358 121.223 0.298 0.000 2.345 223 L HA 0.782 5.116 4.340 -0.010 0.000 0.274 223 L C -0.650 176.334 176.870 0.189 0.000 0.999 223 L CA -0.470 54.367 54.840 -0.006 0.000 0.849 223 L CB 0.666 42.441 42.059 -0.474 0.000 1.220 223 L HN 0.646 nan 8.230 nan 0.000 0.422 224 A N 4.695 127.709 122.820 0.324 0.000 2.304 224 A HA 0.768 5.082 4.320 -0.010 0.000 0.301 224 A C -1.334 176.318 177.584 0.113 0.000 1.132 224 A CA -0.220 51.880 52.037 0.105 0.000 0.819 224 A CB 0.505 19.631 19.000 0.209 0.000 1.094 224 A HN 0.879 nan 8.150 nan 0.000 0.492 225 Y N -1.625 118.394 120.300 -0.469 0.000 2.609 225 Y HA 0.760 5.304 4.550 -0.010 0.000 0.336 225 Y C -0.340 175.312 175.900 -0.412 0.000 1.129 225 Y CA -0.948 56.988 58.100 -0.273 0.000 1.040 225 Y CB 0.832 39.136 38.460 -0.261 0.000 1.310 225 Y HN 0.922 nan 8.280 nan 0.000 0.460 226 A N 1.972 124.809 122.820 0.028 0.000 2.311 226 A HA 0.715 5.029 4.320 -0.010 0.000 0.334 226 A C -1.205 176.240 177.584 -0.232 0.000 1.139 226 A CA -0.864 51.075 52.037 -0.163 0.000 0.830 226 A CB 1.766 20.670 19.000 -0.159 0.000 1.234 226 A HN 0.817 nan 8.150 nan 0.000 0.483 227 Q N 0.904 120.487 119.800 -0.361 0.000 2.292 227 Q HA 0.577 4.912 4.340 -0.010 0.000 0.270 227 Q C -2.097 173.668 176.000 -0.392 0.000 1.024 227 Q CA -0.351 55.346 55.803 -0.176 0.000 0.768 227 Q CB 1.067 29.915 28.738 0.182 0.000 1.250 227 Q HN 0.591 nan 8.270 nan 0.000 0.447 228 F N 2.347 122.384 119.950 0.144 0.000 2.443 228 F HA 0.411 4.932 4.527 -0.009 0.000 0.335 228 F C 0.486 176.418 175.800 0.220 0.000 1.104 228 F CA -0.872 57.185 58.000 0.096 0.000 1.013 228 F CB 1.318 40.276 39.000 -0.069 0.000 1.136 228 F HN 0.422 nan 8.300 nan 0.000 0.470 229 N N 2.146 121.050 118.700 0.340 0.000 2.518 229 N HA 0.200 4.934 4.740 -0.010 0.000 0.254 229 N C -0.933 174.742 175.510 0.274 0.000 0.979 229 N CA -0.288 52.932 53.050 0.284 0.000 0.930 229 N CB 0.975 39.578 38.487 0.194 0.000 1.152 229 N HN 0.557 nan 8.380 nan 0.000 0.505 230 D N 1.504 122.093 120.400 0.315 0.000 2.427 230 D HA 0.133 4.768 4.640 -0.010 0.000 0.224 230 D C 1.187 177.608 176.300 0.201 0.000 1.157 230 D CA 0.117 54.276 54.000 0.265 0.000 0.828 230 D CB 0.566 41.570 40.800 0.339 0.000 0.974 230 D HN 0.459 nan 8.370 nan 0.000 0.498 231 T N 0.175 114.829 114.554 0.167 0.000 2.653 231 T HA -0.209 4.135 4.350 -0.010 0.000 0.268 231 T C 1.409 176.169 174.700 0.100 0.000 1.035 231 T CA 1.310 63.482 62.100 0.120 0.000 1.154 231 T CB -0.036 68.891 68.868 0.099 0.000 0.862 231 T HN 0.301 nan 8.240 nan 0.000 0.441 232 E N 0.252 120.511 120.200 0.098 0.000 2.476 232 E HA 0.168 4.512 4.350 -0.010 0.000 0.196 232 E C -0.363 176.287 176.600 0.084 0.000 1.029 232 E CA -0.254 56.193 56.400 0.079 0.000 0.896 232 E CB 0.547 30.286 29.700 0.066 0.000 1.012 232 E HN 0.200 nan 8.360 nan 0.000 0.475 233 V N 3.502 123.480 119.914 0.106 0.000 2.521 233 V HA 0.074 4.188 4.120 -0.010 0.000 0.286 233 V C -1.993 174.160 176.094 0.098 0.000 1.034 233 V CA -1.371 60.995 62.300 0.110 0.000 1.045 233 V CB 0.447 32.351 31.823 0.136 0.000 0.974 233 V HN 0.041 nan 8.190 nan 0.000 0.480 234 P HA 0.240 nan 4.420 nan 0.000 0.270 234 P C -0.787 176.556 177.300 0.070 0.000 1.223 234 P CA -0.206 62.935 63.100 0.069 0.000 0.785 234 P CB 0.499 32.238 31.700 0.064 0.000 0.923 235 L N 2.026 123.267 121.223 0.031 0.000 2.307 235 L HA 0.454 4.788 4.340 -0.010 0.000 0.284 235 L C 0.226 177.052 176.870 -0.072 0.000 1.023 235 L CA -0.945 53.897 54.840 0.003 0.000 0.810 235 L CB 1.200 43.256 42.059 -0.005 0.000 1.231 235 L HN 0.290 nan 8.230 nan 0.000 0.423 236 I N 2.542 123.024 120.570 -0.148 0.000 2.472 236 I HA 0.257 4.422 4.170 -0.010 0.000 0.290 236 I C -0.363 175.612 176.117 -0.237 0.000 1.016 236 I CA 0.272 61.383 61.300 -0.315 0.000 1.348 236 I CB 0.796 38.356 38.000 -0.734 0.000 1.417 236 I HN 0.579 nan 8.210 nan 0.000 0.521 237 E N 7.232 127.309 120.200 -0.205 0.000 2.248 237 E HA 0.513 4.858 4.350 -0.010 0.000 0.267 237 E C -1.811 174.720 176.600 -0.115 0.000 0.877 237 E CA -0.594 55.683 56.400 -0.206 0.000 0.759 237 E CB 2.100 31.708 29.700 -0.153 0.000 1.182 237 E HN 0.574 nan 8.360 nan 0.000 0.418 238 Y N -1.801 118.408 120.300 -0.151 0.000 2.609 238 Y HA 0.526 5.070 4.550 -0.011 0.000 0.336 238 Y C -0.744 175.082 175.900 -0.123 0.000 1.129 238 Y CA -1.256 56.761 58.100 -0.138 0.000 1.040 238 Y CB 0.794 39.177 38.460 -0.129 0.000 1.310 238 Y HN 0.214 nan 8.280 nan 0.000 0.460 239 S N 1.992 117.671 115.700 -0.035 0.000 2.580 239 S HA 0.478 4.942 4.470 -0.010 0.000 0.274 239 S C -1.370 173.088 174.600 -0.237 0.000 1.329 239 S CA -0.323 57.723 58.200 -0.257 0.000 1.036 239 S CB 0.494 63.405 63.200 -0.481 0.000 0.919 239 S HN 0.535 nan 8.310 nan 0.000 0.515 240 F N 2.111 121.788 119.950 -0.456 0.000 2.507 240 F HA 0.432 4.954 4.527 -0.008 0.000 0.328 240 F C -0.292 175.262 175.800 -0.410 0.000 1.136 240 F CA -1.056 56.773 58.000 -0.285 0.000 0.930 240 F CB 0.789 39.746 39.000 -0.072 0.000 1.166 240 F HN 0.638 nan 8.300 nan 0.000 0.436 241 Y N 2.738 122.787 120.300 -0.417 0.000 2.420 241 Y HA 0.102 4.646 4.550 -0.010 0.000 0.292 241 Y C 1.740 177.512 175.900 -0.213 0.000 1.119 241 Y CA 1.139 59.086 58.100 -0.255 0.000 1.229 241 Y CB -0.573 37.746 38.460 -0.235 0.000 1.026 241 Y HN 0.732 nan 8.280 nan 0.000 0.554 242 S N -0.214 115.294 115.700 -0.320 0.000 3.381 242 S HA -0.226 4.238 4.470 -0.010 0.000 0.636 242 S C -0.483 174.131 174.600 0.022 0.000 2.614 242 S CA 0.210 58.402 58.200 -0.013 0.000 2.810 242 S CB -1.041 62.282 63.200 0.205 0.000 0.331 242 S HN 0.467 nan 8.310 nan 0.000 1.788 243 D N 1.505 121.950 120.400 0.074 0.000 2.390 243 D HA 0.117 4.752 4.640 -0.010 0.000 0.236 243 D C 1.421 177.745 176.300 0.039 0.000 1.189 243 D CA 0.551 54.583 54.000 0.053 0.000 0.887 243 D CB 0.108 40.944 40.800 0.061 0.000 1.198 243 D HN 0.623 nan 8.370 nan 0.000 0.444 244 E N 0.389 120.604 120.200 0.025 0.000 2.187 244 E HA -0.247 4.097 4.350 -0.010 0.000 0.199 244 E C 1.523 178.133 176.600 0.017 0.000 1.004 244 E CA 1.495 57.902 56.400 0.013 0.000 0.813 244 E CB 0.113 29.816 29.700 0.006 0.000 0.736 244 E HN 0.459 nan 8.360 nan 0.000 0.468 245 S N -0.032 115.684 115.700 0.027 0.000 2.507 245 S HA -0.057 4.408 4.470 -0.010 0.000 0.235 245 S C 1.040 175.664 174.600 0.039 0.000 0.988 245 S CA -0.005 58.212 58.200 0.029 0.000 0.944 245 S CB -0.138 63.081 63.200 0.032 0.000 0.762 245 S HN 0.226 nan 8.310 nan 0.000 0.526 246 L N 2.254 123.507 121.223 0.050 0.000 2.433 246 L HA 0.155 4.490 4.340 -0.010 0.000 0.275 246 L C 1.615 178.518 176.870 0.055 0.000 1.128 246 L CA -0.062 54.820 54.840 0.069 0.000 0.875 246 L CB 1.030 43.140 42.059 0.086 0.000 1.171 246 L HN 0.413 nan 8.230 nan 0.000 0.463 247 Q N 4.079 123.921 119.800 0.069 0.000 2.046 247 Q HA -0.108 4.226 4.340 -0.010 0.000 0.200 247 Q C -0.593 175.348 176.000 -0.097 0.000 0.975 247 Q CA 1.408 57.209 55.803 -0.003 0.000 0.836 247 Q CB 0.196 28.968 28.738 0.057 0.000 0.896 247 Q HN 0.578 nan 8.270 nan 0.000 0.428 248 Y N 0.642 120.952 120.300 0.016 0.000 2.328 248 Y HA 0.387 4.933 4.550 -0.008 0.000 0.337 248 Y C -2.073 173.829 175.900 0.003 0.000 0.966 248 Y CA -2.960 55.145 58.100 0.008 0.000 1.136 248 Y CB 1.308 39.766 38.460 -0.003 0.000 1.170 248 Y HN 0.142 nan 8.280 nan 0.000 0.470 249 P HA 0.012 nan 4.420 nan 0.000 0.266 249 P C -0.768 176.531 177.300 -0.001 0.000 1.195 249 P CA -0.326 62.775 63.100 0.001 0.000 0.768 249 P CB 0.497 32.136 31.700 -0.102 0.000 0.838 250 K N 0.729 121.122 120.400 -0.012 0.000 2.098 250 K HA 0.487 4.801 4.320 -0.010 0.000 0.261 250 K C -0.781 175.774 176.600 -0.075 0.000 0.987 250 K CA -0.576 55.703 56.287 -0.012 0.000 0.916 250 K CB 0.617 33.132 32.500 0.025 0.000 1.039 250 K HN 0.191 nan 8.250 nan 0.000 0.455 251 T N 2.211 116.706 114.554 -0.097 0.000 2.749 251 T HA 0.235 4.579 4.350 -0.010 0.000 0.287 251 T C -0.461 174.113 174.700 -0.210 0.000 0.970 251 T CA -0.718 61.287 62.100 -0.159 0.000 0.980 251 T CB 1.037 69.827 68.868 -0.130 0.000 0.924 251 T HN 0.389 nan 8.240 nan 0.000 0.456 252 V N 6.128 125.821 119.914 -0.369 0.000 2.509 252 V HA 0.556 4.670 4.120 -0.010 0.000 0.284 252 V C 0.288 176.113 176.094 -0.447 0.000 1.047 252 V CA -0.740 61.297 62.300 -0.438 0.000 0.952 252 V CB 0.739 32.142 31.823 -0.700 0.000 0.988 252 V HN 0.783 nan 8.190 nan 0.000 0.469 253 R N 4.088 124.452 120.500 -0.227 0.000 2.538 253 R HA 0.784 5.118 4.340 -0.010 0.000 0.292 253 R C -1.658 174.630 176.300 -0.021 0.000 1.008 253 R CA -0.638 55.373 56.100 -0.149 0.000 0.896 253 R CB 1.636 31.877 30.300 -0.099 0.000 1.187 253 R HN 0.501 nan 8.270 nan 0.000 0.440 254 V N 1.927 121.839 119.914 -0.003 0.000 2.686 254 V HA 0.508 4.622 4.120 -0.010 0.000 0.306 254 V C -2.731 173.425 176.094 0.104 0.000 1.065 254 V CA -2.384 59.987 62.300 0.117 0.000 0.894 254 V CB 2.641 34.564 31.823 0.165 0.000 1.004 254 V HN 0.597 nan 8.190 nan 0.000 0.424 255 P HA 0.157 nan 4.420 nan 0.000 0.261 255 P C -1.736 175.671 177.300 0.177 0.000 1.203 255 P CA 0.688 63.897 63.100 0.181 0.000 0.767 255 P CB -0.360 31.486 31.700 0.243 0.000 0.785 256 Y N 6.640 126.921 120.300 -0.031 0.000 2.315 256 Y HA 0.383 4.928 4.550 -0.008 0.000 0.324 256 Y C -2.734 173.143 175.900 -0.037 0.000 1.062 256 Y CA -2.957 55.077 58.100 -0.110 0.000 1.159 256 Y CB 1.752 40.024 38.460 -0.313 0.000 1.145 256 Y HN 0.279 nan 8.280 nan 0.000 0.442 257 P HA 0.257 nan 4.420 nan 0.000 0.287 257 P C -0.931 176.443 177.300 0.123 0.000 1.307 257 P CA -0.214 62.940 63.100 0.090 0.000 0.777 257 P CB 1.554 33.281 31.700 0.045 0.000 0.883 258 K N 1.978 122.524 120.400 0.243 0.000 2.098 258 K HA 0.526 4.840 4.320 -0.010 0.000 0.244 258 K C 0.492 177.196 176.600 0.173 0.000 1.014 258 K CA -0.778 55.669 56.287 0.266 0.000 0.917 258 K CB 0.671 33.332 32.500 0.268 0.000 1.072 258 K HN 0.457 nan 8.250 nan 0.000 0.477 259 A N 0.634 123.577 122.820 0.206 0.000 2.580 259 A HA 0.259 4.574 4.320 -0.010 0.000 0.244 259 A C 1.164 178.783 177.584 0.058 0.000 1.045 259 A CA 1.095 53.235 52.037 0.172 0.000 0.761 259 A CB -1.225 17.955 19.000 0.300 0.000 0.962 259 A HN 0.908 nan 8.150 nan 0.000 0.512 260 G N 0.914 109.738 108.800 0.040 0.000 2.179 260 G HA2 0.094 4.048 3.960 -0.010 0.000 0.260 260 G HA3 0.094 4.048 3.960 -0.010 0.000 0.260 260 G C 0.685 175.595 174.900 0.016 0.000 0.977 260 G CA 0.848 45.945 45.100 -0.005 0.000 0.641 260 G HN 2.167 nan 8.290 nan 0.000 0.533 261 A N -0.481 122.366 122.820 0.046 0.000 2.249 261 A HA 0.764 5.078 4.320 -0.010 0.000 0.281 261 A C 0.832 178.447 177.584 0.052 0.000 1.127 261 A CA 0.285 52.353 52.037 0.052 0.000 0.833 261 A CB 0.637 19.683 19.000 0.078 0.000 1.140 261 A HN 1.137 nan 8.150 nan 0.000 0.502 262 V N 2.375 122.321 119.914 0.054 0.000 2.485 262 V HA 0.042 4.157 4.120 -0.010 0.000 0.287 262 V C 0.253 176.391 176.094 0.073 0.000 1.022 262 V CA -0.074 62.259 62.300 0.055 0.000 1.067 262 V CB -0.221 31.635 31.823 0.055 0.000 0.967 262 V HN 0.773 nan 8.190 nan 0.000 0.479 263 N N 6.349 125.091 118.700 0.070 0.000 2.476 263 N HA 0.503 5.238 4.740 -0.010 0.000 0.275 263 N C -2.354 173.234 175.510 0.131 0.000 1.190 263 N CA -1.468 51.644 53.050 0.104 0.000 0.977 263 N CB 1.234 39.781 38.487 0.101 0.000 1.200 263 N HN 0.392 nan 8.380 nan 0.000 0.515 264 P HA 0.135 nan 4.420 nan 0.000 0.274 264 P C -0.524 176.923 177.300 0.245 0.000 1.237 264 P CA -0.180 63.064 63.100 0.240 0.000 0.793 264 P CB 0.491 32.373 31.700 0.303 0.000 0.977 265 T N -1.793 112.888 114.554 0.211 0.000 2.944 265 T HA 0.597 4.942 4.350 -0.010 0.000 0.284 265 T C -0.243 174.580 174.700 0.205 0.000 1.010 265 T CA -0.830 61.358 62.100 0.147 0.000 1.025 265 T CB 1.472 70.396 68.868 0.093 0.000 1.079 265 T HN 0.351 nan 8.240 nan 0.000 0.516 266 V N 0.236 120.243 119.914 0.155 0.000 3.007 266 V HA 0.760 4.874 4.120 -0.010 0.000 0.311 266 V C -1.600 174.553 176.094 0.099 0.000 1.120 266 V CA -0.885 61.466 62.300 0.086 0.000 0.980 266 V CB 2.139 34.049 31.823 0.144 0.000 1.033 266 V HN 1.042 nan 8.190 nan 0.000 0.429 267 K N 4.153 124.544 120.400 -0.015 0.000 2.469 267 K HA 0.552 4.867 4.320 -0.010 0.000 0.254 267 K C -1.969 174.534 176.600 -0.161 0.000 0.939 267 K CA -0.470 55.776 56.287 -0.069 0.000 0.812 267 K CB 2.768 35.219 32.500 -0.081 0.000 1.301 267 K HN 0.549 nan 8.250 nan 0.000 0.433 268 F N 2.270 121.928 119.950 -0.486 0.000 2.495 268 F HA 0.581 5.103 4.527 -0.010 0.000 0.327 268 F C -1.300 173.974 175.800 -0.876 0.000 1.103 268 F CA -0.620 57.079 58.000 -0.501 0.000 0.949 268 F CB 0.854 39.679 39.000 -0.291 0.000 1.142 268 F HN 0.389 nan 8.300 nan 0.000 0.457 269 F N 3.318 122.563 119.950 -1.175 0.000 2.629 269 F HA 0.775 5.296 4.527 -0.010 0.000 0.316 269 F C -1.013 174.201 175.800 -0.977 0.000 1.081 269 F CA -1.174 56.250 58.000 -0.960 0.000 0.954 269 F CB 2.143 40.466 39.000 -1.129 0.000 1.337 269 F HN 0.089 nan 8.300 nan 0.000 0.474 270 V N 2.290 122.052 119.914 -0.253 0.000 2.612 270 V HA 0.514 4.628 4.120 -0.010 0.000 0.301 270 V C -1.292 174.933 176.094 0.218 0.000 1.059 270 V CA -0.751 61.480 62.300 -0.115 0.000 0.886 270 V CB 1.854 33.410 31.823 -0.445 0.000 1.007 270 V HN 0.609 nan 8.190 nan 0.000 0.426 271 V N 4.692 124.786 119.914 0.301 0.000 2.628 271 V HA 0.561 4.676 4.120 -0.010 0.000 0.306 271 V C -0.101 176.208 176.094 0.358 0.000 1.045 271 V CA -0.556 61.930 62.300 0.310 0.000 0.905 271 V CB 1.965 33.902 31.823 0.189 0.000 0.997 271 V HN 1.001 nan 8.190 nan 0.000 0.436 272 N N 3.048 121.924 118.700 0.293 0.000 2.408 272 N HA 0.200 4.935 4.740 -0.010 0.000 0.257 272 N C 0.951 176.448 175.510 -0.022 0.000 1.064 272 N CA 0.257 53.339 53.050 0.052 0.000 0.952 272 N CB 1.198 39.663 38.487 -0.037 0.000 1.093 272 N HN 0.881 nan 8.380 nan 0.000 0.490 273 T N -0.326 114.209 114.554 -0.031 0.000 3.194 273 T HA 0.080 4.424 4.350 -0.010 0.000 0.251 273 T C 0.333 174.998 174.700 -0.058 0.000 1.132 273 T CA 0.192 62.288 62.100 -0.007 0.000 1.028 273 T CB 0.115 69.084 68.868 0.168 0.000 0.976 273 T HN 0.427 nan 8.240 nan 0.000 0.535 274 D N 1.545 121.882 120.400 -0.106 0.000 2.389 274 D HA 0.075 4.710 4.640 -0.010 0.000 0.206 274 D C 1.246 177.491 176.300 -0.092 0.000 1.055 274 D CA 0.456 54.397 54.000 -0.099 0.000 0.856 274 D CB 0.515 41.243 40.800 -0.121 0.000 0.957 274 D HN 0.609 nan 8.370 nan 0.000 0.509 275 S N 0.741 116.384 115.700 -0.095 0.000 2.581 275 S HA 0.264 4.728 4.470 -0.010 0.000 0.245 275 S C 0.415 174.954 174.600 -0.100 0.000 1.115 275 S CA -0.746 57.412 58.200 -0.069 0.000 1.093 275 S CB -0.815 62.371 63.200 -0.022 0.000 0.853 275 S HN 0.156 nan 8.310 nan 0.000 0.479 276 L N -0.052 121.042 121.223 -0.215 0.000 2.282 276 L HA 0.724 5.058 4.340 -0.010 0.000 0.288 276 L C 0.815 177.494 176.870 -0.317 0.000 1.033 276 L CA -0.793 53.855 54.840 -0.320 0.000 0.807 276 L CB 1.189 42.907 42.059 -0.567 0.000 1.209 276 L HN 0.247 nan 8.230 nan 0.000 0.423 277 S N 2.907 118.550 115.700 -0.095 0.000 2.303 277 S HA 0.133 4.598 4.470 -0.010 0.000 0.170 277 S C 0.960 175.720 174.600 0.268 0.000 1.226 277 S CA 0.845 59.080 58.200 0.057 0.000 1.750 277 S CB -0.238 63.002 63.200 0.066 0.000 0.714 277 S HN 1.235 nan 8.310 nan 0.000 0.383 278 S N -2.124 113.728 115.700 0.253 0.000 4.530 278 S HA -0.022 4.442 4.470 -0.010 0.000 0.055 278 S C 0.541 175.240 174.600 0.165 0.000 0.852 278 S CA 0.239 58.608 58.200 0.280 0.000 1.039 278 S CB -1.063 62.282 63.200 0.242 0.000 0.509 278 S HN 0.541 nan 8.310 nan 0.000 0.791 279 V N 1.636 121.626 119.914 0.127 0.000 3.570 279 V HA 0.388 4.502 4.120 -0.010 0.000 0.257 279 V C 0.612 176.748 176.094 0.070 0.000 1.272 279 V CA 1.344 63.694 62.300 0.084 0.000 1.079 279 V CB 0.901 32.762 31.823 0.063 0.000 0.829 279 V HN 0.604 nan 8.190 nan 0.000 0.454 280 T N 0.816 115.418 114.554 0.080 0.000 2.887 280 T HA 0.400 4.745 4.350 -0.010 0.000 0.288 280 T C -0.402 174.349 174.700 0.086 0.000 1.021 280 T CA -0.483 61.652 62.100 0.057 0.000 1.000 280 T CB 1.603 70.496 68.868 0.041 0.000 1.034 280 T HN 0.047 nan 8.240 nan 0.000 0.467 281 N N 1.700 120.438 118.700 0.063 0.000 2.518 281 N HA 0.380 5.114 4.740 -0.010 0.000 0.266 281 N C 0.155 175.726 175.510 0.102 0.000 1.196 281 N CA -0.190 52.930 53.050 0.117 0.000 0.947 281 N CB 0.889 39.390 38.487 0.023 0.000 1.098 281 N HN 0.843 nan 8.380 nan 0.000 0.450 282 A N 1.821 124.718 122.820 0.129 0.000 2.540 282 A HA 0.135 4.449 4.320 -0.010 0.000 0.239 282 A C 0.242 177.872 177.584 0.076 0.000 1.061 282 A CA 0.330 52.408 52.037 0.070 0.000 0.758 282 A CB -0.080 18.940 19.000 0.034 0.000 0.991 282 A HN 0.539 nan 8.150 nan 0.000 0.502 283 T N 3.064 117.666 114.554 0.079 0.000 2.753 283 T HA 0.411 4.756 4.350 -0.010 0.000 0.297 283 T C 0.077 174.861 174.700 0.141 0.000 0.981 283 T CA 0.000 62.160 62.100 0.100 0.000 0.956 283 T CB 0.579 69.510 68.868 0.104 0.000 0.936 283 T HN 0.566 nan 8.240 nan 0.000 0.463 284 S N 3.086 118.869 115.700 0.138 0.000 2.508 284 S HA 0.515 4.980 4.470 -0.010 0.000 0.284 284 S C -0.091 174.677 174.600 0.279 0.000 1.192 284 S CA -0.677 57.642 58.200 0.198 0.000 1.070 284 S CB 0.459 63.722 63.200 0.106 0.000 1.004 284 S HN 0.452 nan 8.310 nan 0.000 0.493 285 I N 2.981 123.738 120.570 0.311 0.000 2.321 285 I HA 0.281 4.445 4.170 -0.010 0.000 0.291 285 I C 0.406 176.651 176.117 0.214 0.000 0.998 285 I CA -0.099 61.385 61.300 0.307 0.000 1.227 285 I CB 1.345 39.600 38.000 0.424 0.000 1.368 285 I HN 0.588 nan 8.210 nan 0.000 0.466 286 Q N 6.001 125.879 119.800 0.130 0.000 2.259 286 Q HA 0.568 4.902 4.340 -0.010 0.000 0.246 286 Q C -1.109 174.821 176.000 -0.116 0.000 0.920 286 Q CA -0.435 55.240 55.803 -0.213 0.000 0.895 286 Q CB 1.095 29.633 28.738 -0.333 0.000 1.220 286 Q HN 0.552 nan 8.270 nan 0.000 0.439 287 I N 3.775 124.249 120.570 -0.160 0.000 2.420 287 I HA 0.203 4.367 4.170 -0.010 0.000 0.282 287 I C 0.495 176.579 176.117 -0.056 0.000 1.019 287 I CA -0.464 60.812 61.300 -0.038 0.000 1.130 287 I CB 1.530 39.538 38.000 0.015 0.000 1.262 287 I HN 0.751 nan 8.210 nan 0.000 0.454 288 T N 3.190 117.678 114.554 -0.111 0.000 2.946 288 T HA 0.831 5.175 4.350 -0.010 0.000 0.295 288 T C 0.823 175.320 174.700 -0.339 0.000 1.143 288 T CA 0.259 62.238 62.100 -0.201 0.000 0.944 288 T CB 1.169 69.930 68.868 -0.177 0.000 1.800 288 T HN 0.918 nan 8.240 nan 0.000 0.590 289 A N 0.696 123.247 122.820 -0.448 0.000 6.182 289 A HA -0.037 4.277 4.320 -0.010 0.000 0.285 289 A C -2.364 174.639 177.584 -0.967 0.000 1.979 289 A CA 0.181 51.885 52.037 -0.555 0.000 0.740 289 A CB -2.849 15.955 19.000 -0.327 0.000 1.172 289 A HN 0.893 nan 8.150 nan 0.000 0.388 290 P HA 0.331 nan 4.420 nan 0.000 0.268 290 P C 0.993 178.077 177.300 -0.360 0.000 1.208 290 P CA 0.882 63.735 63.100 -0.410 0.000 0.777 290 P CB 0.374 31.904 31.700 -0.282 0.000 0.875 291 A N 2.182 124.868 122.820 -0.225 0.000 1.940 291 A HA -0.177 4.137 4.320 -0.010 0.000 0.219 291 A C 1.961 179.447 177.584 -0.163 0.000 1.176 291 A CA 2.198 54.127 52.037 -0.180 0.000 0.631 291 A CB -1.684 17.244 19.000 -0.120 0.000 0.814 291 A HN 0.609 nan 8.150 nan 0.000 0.446 292 S N -2.236 113.391 115.700 -0.122 0.000 2.603 292 S HA 0.056 4.520 4.470 -0.010 0.000 0.229 292 S C 1.395 175.943 174.600 -0.087 0.000 0.972 292 S CA 1.424 59.584 58.200 -0.067 0.000 0.935 292 S CB -0.093 63.142 63.200 0.060 0.000 0.769 292 S HN 0.373 nan 8.310 nan 0.000 0.536 293 M N 0.477 119.944 119.600 -0.221 0.000 2.638 293 M HA 0.503 4.978 4.480 -0.010 0.000 0.256 293 M C 1.380 177.415 176.300 -0.442 0.000 1.282 293 M CA 0.749 55.852 55.300 -0.328 0.000 1.155 293 M CB -0.130 32.135 32.600 -0.558 0.000 1.345 293 M HN 0.221 nan 8.290 nan 0.000 0.523 294 L N 0.639 121.610 121.223 -0.419 0.000 2.465 294 L HA -0.044 4.290 4.340 -0.010 0.000 0.224 294 L C 1.947 178.747 176.870 -0.116 0.000 1.145 294 L CA 0.550 55.222 54.840 -0.280 0.000 0.834 294 L CB -0.855 41.055 42.059 -0.249 0.000 0.944 294 L HN 0.391 nan 8.230 nan 0.000 0.451 295 I N -2.802 117.704 120.570 -0.107 0.000 2.756 295 I HA 0.118 4.282 4.170 -0.010 0.000 0.262 295 I C 1.039 177.137 176.117 -0.032 0.000 1.225 295 I CA 0.669 61.929 61.300 -0.066 0.000 1.472 295 I CB -0.414 37.540 38.000 -0.076 0.000 1.094 295 I HN 0.109 nan 8.210 nan 0.000 0.454 296 G N 0.136 108.937 108.800 0.001 0.000 2.650 296 G HA2 0.229 4.184 3.960 -0.010 0.000 0.310 296 G HA3 0.229 4.184 3.960 -0.010 0.000 0.310 296 G C -1.841 173.113 174.900 0.089 0.000 1.270 296 G CA -0.559 44.554 45.100 0.023 0.000 0.810 296 G HN 0.046 nan 8.290 nan 0.000 0.493 297 D N 1.293 121.695 120.400 0.003 0.000 2.414 297 D HA 0.469 5.103 4.640 -0.010 0.000 0.242 297 D C 0.318 176.552 176.300 -0.110 0.000 1.129 297 D CA 0.611 54.551 54.000 -0.100 0.000 0.885 297 D CB 0.566 41.268 40.800 -0.163 0.000 1.198 297 D HN 0.554 nan 8.370 nan 0.000 0.437 298 H N -0.933 117.992 119.070 -0.241 0.000 2.933 298 H HA 0.456 5.006 4.556 -0.009 0.000 0.310 298 H C -1.379 173.821 175.328 -0.213 0.000 1.351 298 H CA -0.790 55.125 56.048 -0.223 0.000 1.137 298 H CB 0.359 30.123 29.762 0.004 0.000 1.853 298 H HN 0.303 nan 8.280 nan 0.000 0.539 299 Y N -0.125 120.394 120.300 0.365 0.000 2.581 299 Y HA 0.421 4.965 4.550 -0.010 0.000 0.345 299 Y C -0.505 175.670 175.900 0.460 0.000 1.036 299 Y CA -1.163 57.152 58.100 0.359 0.000 1.042 299 Y CB 1.992 40.504 38.460 0.086 0.000 1.289 299 Y HN 0.496 nan 8.280 nan 0.000 0.471 300 L N 2.753 124.323 121.223 0.580 0.000 2.257 300 L HA 0.451 4.785 4.340 -0.010 0.000 0.290 300 L C 0.275 177.180 176.870 0.057 0.000 1.044 300 L CA -0.355 54.483 54.840 -0.003 0.000 0.810 300 L CB 0.464 42.489 42.059 -0.058 0.000 1.193 300 L HN 0.967 nan 8.230 nan 0.000 0.425 301 C N 1.216 120.410 119.300 -0.177 0.000 3.230 301 C HA 0.527 4.981 4.460 -0.010 0.000 0.300 301 C C 0.235 175.071 174.990 -0.257 0.000 1.292 301 C CA -0.351 58.497 59.018 -0.283 0.000 1.707 301 C CB -0.691 26.942 27.740 -0.178 0.000 2.181 301 C HN 0.860 nan 8.230 nan 0.000 0.655 302 D N 0.117 120.392 120.400 -0.209 0.000 2.745 302 D HA 0.358 4.992 4.640 -0.010 0.000 0.221 302 D C -1.798 174.234 176.300 -0.447 0.000 1.237 302 D CA 0.115 54.023 54.000 -0.154 0.000 0.781 302 D CB 2.512 43.213 40.800 -0.164 0.000 1.575 302 D HN 0.373 nan 8.370 nan 0.000 0.482 303 V N 1.370 120.951 119.914 -0.556 0.000 2.612 303 V HA 0.784 4.898 4.120 -0.010 0.000 0.301 303 V C -1.619 174.089 176.094 -0.642 0.000 1.059 303 V CA 0.033 61.799 62.300 -0.891 0.000 0.886 303 V CB 1.796 32.699 31.823 -1.533 0.000 1.007 303 V HN 0.585 nan 8.190 nan 0.000 0.426 304 T N 6.308 120.577 114.554 -0.476 0.000 2.937 304 T HA 0.450 4.795 4.350 -0.010 0.000 0.297 304 T C -0.981 173.578 174.700 -0.236 0.000 0.991 304 T CA -0.159 61.818 62.100 -0.206 0.000 0.990 304 T CB 1.034 69.859 68.868 -0.072 0.000 0.991 304 T HN 0.784 nan 8.240 nan 0.000 0.440 305 W N 1.878 123.111 121.300 -0.112 0.000 2.190 305 W HA 0.489 5.143 4.660 -0.010 0.000 0.330 305 W C 1.123 177.480 176.519 -0.272 0.000 1.299 305 W CA -0.283 56.978 57.345 -0.140 0.000 1.215 305 W CB 0.621 30.087 29.460 0.011 0.000 1.147 305 W HN 0.844 nan 8.180 nan 0.000 0.563 306 A N 1.586 124.276 122.820 -0.216 0.000 1.944 306 A HA 0.213 4.528 4.320 -0.010 0.000 0.207 306 A C 0.873 178.406 177.584 -0.084 0.000 1.265 306 A CA 1.483 53.156 52.037 -0.607 0.000 0.712 306 A CB -0.423 17.806 19.000 -1.286 0.000 0.915 306 A HN 0.533 nan 8.150 nan 0.000 0.470 307 T N -5.454 109.153 114.554 0.089 0.000 2.626 307 T HA 0.354 4.698 4.350 -0.010 0.000 0.279 307 T C 0.230 175.073 174.700 0.238 0.000 0.983 307 T CA -0.350 61.843 62.100 0.155 0.000 1.059 307 T CB 0.633 69.582 68.868 0.136 0.000 1.396 307 T HN -0.045 nan 8.240 nan 0.000 0.519 308 Q N 0.283 120.196 119.800 0.188 0.000 2.291 308 Q HA 0.076 4.410 4.340 -0.010 0.000 0.205 308 Q C 0.978 177.203 176.000 0.374 0.000 0.970 308 Q CA 1.425 57.340 55.803 0.186 0.000 0.876 308 Q CB -0.095 28.727 28.738 0.141 0.000 0.935 308 Q HN 0.811 nan 8.270 nan 0.000 0.455 309 E N -0.361 120.072 120.200 0.389 0.000 2.714 309 E HA 0.181 4.525 4.350 -0.010 0.000 0.219 309 E C -0.156 176.730 176.600 0.475 0.000 0.979 309 E CA -0.168 56.498 56.400 0.443 0.000 1.092 309 E CB 1.087 30.963 29.700 0.293 0.000 1.049 309 E HN -0.050 nan 8.360 nan 0.000 0.487 310 R N 1.609 122.380 120.500 0.452 0.000 2.513 310 R HA 0.546 4.880 4.340 -0.010 0.000 0.301 310 R C -1.586 174.769 176.300 0.092 0.000 0.968 310 R CA -0.462 55.793 56.100 0.258 0.000 0.872 310 R CB 1.325 31.668 30.300 0.071 0.000 1.177 310 R HN 0.060 nan 8.270 nan 0.000 0.444 311 I N 2.754 123.210 120.570 -0.190 0.000 2.608 311 I HA 0.396 4.561 4.170 -0.010 0.000 0.295 311 I C -0.862 174.933 176.117 -0.536 0.000 1.049 311 I CA -0.498 60.398 61.300 -0.673 0.000 1.063 311 I CB 2.266 39.413 38.000 -1.423 0.000 1.248 311 I HN 0.806 nan 8.210 nan 0.000 0.424 312 S N 7.245 122.609 115.700 -0.561 0.000 2.501 312 S HA 0.792 5.257 4.470 -0.010 0.000 0.301 312 S C -1.114 173.159 174.600 -0.545 0.000 1.096 312 S CA -0.677 57.279 58.200 -0.407 0.000 1.063 312 S CB 1.871 64.952 63.200 -0.197 0.000 1.042 312 S HN 0.433 nan 8.310 nan 0.000 0.494 313 L N 2.002 122.926 121.223 -0.499 0.000 2.408 313 L HA 0.533 4.868 4.340 -0.010 0.000 0.268 313 L C -0.460 176.085 176.870 -0.541 0.000 0.986 313 L CA -0.158 54.268 54.840 -0.689 0.000 0.820 313 L CB 2.117 43.694 42.059 -0.803 0.000 1.303 313 L HN 0.847 nan 8.230 nan 0.000 0.411 314 Q N 2.053 121.476 119.800 -0.629 0.000 2.333 314 Q HA 0.492 4.826 4.340 -0.010 0.000 0.267 314 Q C -1.658 174.039 176.000 -0.505 0.000 1.012 314 Q CA -0.499 55.063 55.803 -0.401 0.000 0.824 314 Q CB 2.198 30.775 28.738 -0.268 0.000 1.290 314 Q HN 0.502 nan 8.270 nan 0.000 0.449 315 W N 2.233 123.484 121.300 -0.083 0.000 2.706 315 W HA 0.625 5.279 4.660 -0.010 0.000 0.346 315 W C -0.920 175.624 176.519 0.041 0.000 1.071 315 W CA -0.655 56.690 57.345 -0.001 0.000 1.206 315 W CB 1.100 30.544 29.460 -0.028 0.000 1.413 315 W HN 0.356 nan 8.180 nan 0.000 0.542 316 L N 2.557 124.013 121.223 0.387 0.000 2.410 316 L HA 0.539 4.873 4.340 -0.010 0.000 0.270 316 L C -0.071 176.996 176.870 0.328 0.000 0.983 316 L CA -1.173 53.853 54.840 0.311 0.000 0.822 316 L CB 1.367 43.595 42.059 0.281 0.000 1.285 316 L HN 0.396 nan 8.230 nan 0.000 0.409 317 R N 2.306 122.959 120.500 0.255 0.000 2.679 317 R HA 0.221 4.555 4.340 -0.010 0.000 0.269 317 R C 1.059 177.405 176.300 0.077 0.000 1.076 317 R CA -0.167 56.028 56.100 0.159 0.000 1.160 317 R CB 0.601 30.991 30.300 0.150 0.000 1.054 317 R HN 0.621 nan 8.270 nan 0.000 0.507 318 R N 1.329 121.774 120.500 -0.092 0.000 2.117 318 R HA -0.090 4.245 4.340 -0.010 0.000 0.243 318 R C 0.416 176.757 176.300 0.068 0.000 1.143 318 R CA 1.199 57.217 56.100 -0.137 0.000 0.968 318 R CB 0.152 30.345 30.300 -0.178 0.000 0.863 318 R HN 0.389 nan 8.270 nan 0.000 0.444 319 I N 2.984 123.585 120.570 0.051 0.000 2.260 319 I HA 0.007 4.171 4.170 -0.010 0.000 0.297 319 I C 0.122 176.298 176.117 0.098 0.000 1.143 319 I CA 0.341 61.676 61.300 0.059 0.000 1.271 319 I CB 0.739 38.761 38.000 0.036 0.000 1.461 319 I HN 0.278 nan 8.210 nan 0.000 0.530 320 Q N 3.450 123.311 119.800 0.103 0.000 2.185 320 Q HA -0.086 4.248 4.340 -0.010 0.000 0.179 320 Q C 0.967 177.048 176.000 0.134 0.000 0.810 320 Q CA 0.088 55.964 55.803 0.122 0.000 1.021 320 Q CB -0.169 28.598 28.738 0.048 0.000 1.244 320 Q HN 0.456 nan 8.270 nan 0.000 0.404 321 N N -0.422 118.360 118.700 0.137 0.000 2.402 321 N HA -0.028 4.706 4.740 -0.010 0.000 0.174 321 N C -0.928 174.699 175.510 0.196 0.000 1.027 321 N CA 0.518 53.647 53.050 0.132 0.000 0.891 321 N CB 0.516 39.066 38.487 0.105 0.000 1.016 321 N HN 0.329 nan 8.380 nan 0.000 0.439 322 Y N 0.541 120.871 120.300 0.050 0.000 2.406 322 Y HA 0.473 5.017 4.550 -0.010 0.000 0.340 322 Y C -0.891 175.051 175.900 0.070 0.000 0.975 322 Y CA -1.037 57.092 58.100 0.049 0.000 1.056 322 Y CB 1.267 39.746 38.460 0.032 0.000 1.210 322 Y HN -0.064 nan 8.280 nan 0.000 0.448 323 S N 4.374 119.960 115.700 -0.190 0.000 2.548 323 S HA 0.895 5.360 4.470 -0.010 0.000 0.286 323 S C -1.875 172.570 174.600 -0.259 0.000 1.098 323 S CA -0.764 57.372 58.200 -0.107 0.000 0.930 323 S CB 1.824 65.011 63.200 -0.022 0.000 1.070 323 S HN 0.490 nan 8.310 nan 0.000 0.480 324 V N 3.000 122.869 119.914 -0.076 0.000 2.656 324 V HA 0.546 4.660 4.120 -0.010 0.000 0.307 324 V C -0.512 175.613 176.094 0.051 0.000 1.051 324 V CA -0.680 61.587 62.300 -0.055 0.000 0.893 324 V CB 1.874 33.687 31.823 -0.018 0.000 0.999 324 V HN 1.035 nan 8.190 nan 0.000 0.426 325 M N 3.730 123.341 119.600 0.018 0.000 2.205 325 M HA 0.515 4.989 4.480 -0.010 0.000 0.344 325 M C -1.276 175.050 176.300 0.043 0.000 1.085 325 M CA -0.327 54.967 55.300 -0.010 0.000 1.001 325 M CB 1.070 33.615 32.600 -0.092 0.000 1.626 325 M HN 0.599 nan 8.290 nan 0.000 0.442 326 D N 5.173 125.588 120.400 0.026 0.000 2.163 326 D HA 0.506 5.140 4.640 -0.010 0.000 0.248 326 D C -0.905 175.372 176.300 -0.038 0.000 1.035 326 D CA -0.010 54.006 54.000 0.026 0.000 0.872 326 D CB 1.755 42.597 40.800 0.070 0.000 1.183 326 D HN 0.610 nan 8.370 nan 0.000 0.445 327 I N 2.659 123.233 120.570 0.007 0.000 2.464 327 I HA 0.226 4.390 4.170 -0.010 0.000 0.277 327 I C -0.510 175.616 176.117 0.015 0.000 1.040 327 I CA -0.603 60.697 61.300 -0.001 0.000 1.153 327 I CB 0.983 39.044 38.000 0.101 0.000 1.274 327 I HN 0.138 nan 8.210 nan 0.000 0.469 328 c N 3.651 122.243 118.600 -0.012 0.000 2.350 328 c HA 0.492 5.056 4.570 -0.010 0.000 0.348 328 c C 0.031 174.265 174.090 0.240 0.000 1.260 328 c CA -0.696 55.693 56.329 0.100 0.000 1.966 328 c CB 0.678 43.242 42.510 0.091 0.000 2.380 328 c HN 0.563 nan 8.230 nan 0.000 0.535 329 D N 0.413 120.951 120.400 0.229 0.000 2.248 329 D HA 0.241 4.876 4.640 -0.010 0.000 0.246 329 D C -0.677 175.603 176.300 -0.033 0.000 1.027 329 D CA -0.206 53.891 54.000 0.162 0.000 0.853 329 D CB 1.394 42.229 40.800 0.059 0.000 1.243 329 D HN 0.604 nan 8.370 nan 0.000 0.462 330 Y N 1.482 121.438 120.300 -0.574 0.000 2.425 330 Y HA 0.094 4.638 4.550 -0.010 0.000 0.331 330 Y C 0.147 175.744 175.900 -0.506 0.000 1.157 330 Y CA -0.024 57.368 58.100 -1.181 0.000 1.372 330 Y CB 0.707 38.344 38.460 -1.370 0.000 1.253 330 Y HN 0.157 nan 8.280 nan 0.000 0.536 331 D N 5.563 125.305 120.400 -1.096 0.000 2.467 331 D HA 0.067 4.701 4.640 -0.010 0.000 0.220 331 D C 0.835 176.553 176.300 -0.969 0.000 1.103 331 D CA -0.020 53.538 54.000 -0.736 0.000 0.886 331 D CB 0.748 41.280 40.800 -0.447 0.000 1.025 331 D HN 0.881 nan 8.370 nan 0.000 0.514 332 E N 1.661 121.471 120.200 -0.650 0.000 2.072 332 E HA -0.225 4.120 4.350 -0.010 0.000 0.218 332 E C 0.747 177.200 176.600 -0.246 0.000 1.051 332 E CA 1.702 57.900 56.400 -0.337 0.000 0.880 332 E CB 0.041 29.689 29.700 -0.087 0.000 0.783 332 E HN 0.227 nan 8.360 nan 0.000 0.473 333 S N -0.816 114.778 115.700 -0.177 0.000 2.767 333 S HA 0.178 4.642 4.470 -0.010 0.000 0.253 333 S C 0.195 174.723 174.600 -0.120 0.000 1.082 333 S CA 0.286 58.422 58.200 -0.107 0.000 1.148 333 S CB 0.294 63.455 63.200 -0.066 0.000 0.808 333 S HN 0.153 nan 8.310 nan 0.000 0.466 334 S N -0.539 115.049 115.700 -0.188 0.000 2.546 334 S HA 0.331 4.795 4.470 -0.010 0.000 0.282 334 S C 1.365 175.886 174.600 -0.132 0.000 1.074 334 S CA 0.040 58.152 58.200 -0.147 0.000 1.254 334 S CB 0.675 63.775 63.200 -0.168 0.000 1.103 334 S HN 0.607 nan 8.310 nan 0.000 0.589 335 G N 2.276 110.940 108.800 -0.226 0.000 2.175 335 G HA2 -0.293 3.661 3.960 -0.010 0.000 0.265 335 G HA3 -0.293 3.661 3.960 -0.010 0.000 0.265 335 G C 0.095 175.022 174.900 0.045 0.000 0.979 335 G CA 0.666 45.755 45.100 -0.019 0.000 0.663 335 G HN 0.462 nan 8.290 nan 0.000 0.533 336 R N -1.933 118.464 120.500 -0.173 0.000 2.943 336 R HA 0.679 5.014 4.340 -0.010 0.000 0.246 336 R C -0.965 175.207 176.300 -0.214 0.000 1.201 336 R CA -0.902 55.182 56.100 -0.027 0.000 1.056 336 R CB 0.895 31.209 30.300 0.024 0.000 1.243 336 R HN 0.145 nan 8.270 nan 0.000 0.498 337 W N 0.385 121.713 121.300 0.047 0.000 2.587 337 W HA 0.398 5.053 4.660 -0.009 0.000 0.324 337 W C -0.703 175.807 176.519 -0.015 0.000 1.040 337 W CA -0.410 56.951 57.345 0.027 0.000 1.222 337 W CB 1.245 30.719 29.460 0.024 0.000 1.381 337 W HN 0.396 nan 8.180 nan 0.000 0.483 338 N N 2.012 120.801 118.700 0.150 0.000 2.372 338 N HA 0.492 5.226 4.740 -0.010 0.000 0.285 338 N C -1.494 174.063 175.510 0.079 0.000 1.008 338 N CA -0.603 52.493 53.050 0.077 0.000 0.880 338 N CB 1.170 39.663 38.487 0.011 0.000 1.239 338 N HN 0.202 nan 8.380 nan 0.000 0.484 339 c N 3.032 121.661 118.600 0.049 0.000 2.248 339 c HA 0.316 4.880 4.570 -0.010 0.000 0.320 339 c C 0.429 174.523 174.090 0.006 0.000 1.065 339 c CA -1.079 55.267 56.329 0.029 0.000 1.558 339 c CB -1.437 41.080 42.510 0.012 0.000 1.787 339 c HN 0.629 nan 8.230 nan 0.000 0.426 340 L N 2.835 124.064 121.223 0.011 0.000 2.678 340 L HA 0.038 4.372 4.340 -0.010 0.000 0.276 340 L C 0.886 177.747 176.870 -0.014 0.000 1.142 340 L CA 0.223 55.061 54.840 -0.003 0.000 0.961 340 L CB 0.144 42.205 42.059 0.003 0.000 1.291 340 L HN 0.593 nan 8.230 nan 0.000 0.476 341 V N 5.223 125.121 119.914 -0.027 0.000 2.450 341 V HA 0.228 4.342 4.120 -0.010 0.000 0.264 341 V C 0.976 177.046 176.094 -0.041 0.000 0.996 341 V CA 1.296 63.574 62.300 -0.038 0.000 1.138 341 V CB -0.072 31.725 31.823 -0.043 0.000 1.051 341 V HN 1.041 nan 8.190 nan 0.000 0.470 342 A N 5.184 127.971 122.820 -0.054 0.000 2.406 342 A HA 0.071 4.385 4.320 -0.010 0.000 0.216 342 A C 1.582 179.113 177.584 -0.088 0.000 2.848 342 A CA 0.375 52.373 52.037 -0.065 0.000 1.539 342 A CB -0.660 18.317 19.000 -0.038 0.000 0.422 342 A HN 0.702 nan 8.150 nan 0.000 0.522 343 R N 1.063 121.533 120.500 -0.050 0.000 2.334 343 R HA 0.165 4.500 4.340 -0.010 0.000 0.216 343 R C 0.319 176.610 176.300 -0.016 0.000 0.905 343 R CA 0.710 56.809 56.100 -0.002 0.000 1.064 343 R CB 0.055 30.394 30.300 0.064 0.000 1.046 343 R HN 0.737 nan 8.270 nan 0.000 0.508 344 Q N -0.121 119.617 119.800 -0.103 0.000 2.230 344 Q HA 0.238 4.572 4.340 -0.010 0.000 0.253 344 Q C -1.298 174.570 176.000 -0.220 0.000 0.919 344 Q CA -0.724 55.051 55.803 -0.047 0.000 0.908 344 Q CB 1.480 30.207 28.738 -0.017 0.000 1.245 344 Q HN 0.166 nan 8.270 nan 0.000 0.437 345 H N 1.383 120.466 119.070 0.022 0.000 2.489 345 H HA 0.479 5.030 4.556 -0.010 0.000 0.343 345 H C -0.673 174.636 175.328 -0.031 0.000 1.086 345 H CA -0.637 55.435 56.048 0.040 0.000 1.198 345 H CB 1.302 31.135 29.762 0.120 0.000 1.490 345 H HN 0.545 nan 8.280 nan 0.000 0.504 346 I N 1.866 122.455 120.570 0.031 0.000 2.396 346 I HA 0.219 4.383 4.170 -0.010 0.000 0.292 346 I C 0.170 176.244 176.117 -0.071 0.000 0.999 346 I CA -0.203 61.020 61.300 -0.128 0.000 1.310 346 I CB 1.163 39.053 38.000 -0.183 0.000 1.404 346 I HN 0.567 nan 8.210 nan 0.000 0.496 347 E N 8.101 128.210 120.200 -0.153 0.000 2.255 347 E HA 0.514 4.858 4.350 -0.010 0.000 0.256 347 E C -1.225 175.319 176.600 -0.092 0.000 0.887 347 E CA -0.634 55.732 56.400 -0.058 0.000 0.782 347 E CB 1.370 31.059 29.700 -0.018 0.000 1.214 347 E HN 0.617 nan 8.360 nan 0.000 0.417 348 M N 1.079 120.666 119.600 -0.021 0.000 2.691 348 M HA 0.676 5.151 4.480 -0.010 0.000 0.293 348 M C -0.990 175.337 176.300 0.046 0.000 1.259 348 M CA -0.931 54.393 55.300 0.041 0.000 0.827 348 M CB 2.309 34.999 32.600 0.151 0.000 1.753 348 M HN 0.214 nan 8.290 nan 0.000 0.465 349 S N -0.799 114.929 115.700 0.048 0.000 2.541 349 S HA 0.616 5.080 4.470 -0.010 0.000 0.280 349 S C 0.123 174.728 174.600 0.007 0.000 1.112 349 S CA 0.050 58.257 58.200 0.011 0.000 0.925 349 S CB 1.914 65.090 63.200 -0.040 0.000 1.067 349 S HN 0.931 nan 8.310 nan 0.000 0.479 350 T N -0.463 114.092 114.554 0.001 0.000 2.990 350 T HA 0.068 4.413 4.350 -0.010 0.000 0.249 350 T C 1.649 176.337 174.700 -0.020 0.000 1.039 350 T CA 0.917 63.017 62.100 -0.001 0.000 1.036 350 T CB -0.540 68.333 68.868 0.008 0.000 0.994 350 T HN 0.685 nan 8.240 nan 0.000 0.489 351 T N -1.308 113.232 114.554 -0.022 0.000 3.035 351 T HA 0.547 4.892 4.350 -0.010 0.000 0.259 351 T C 1.279 175.865 174.700 -0.191 0.000 1.078 351 T CA 0.591 62.682 62.100 -0.014 0.000 1.132 351 T CB 0.039 68.966 68.868 0.099 0.000 0.900 351 T HN 0.624 nan 8.240 nan 0.000 0.480 352 G N 0.309 108.843 108.800 -0.444 0.000 2.899 352 G HA2 0.479 4.434 3.960 -0.010 0.000 0.137 352 G HA3 0.479 4.434 3.960 -0.010 0.000 0.137 352 G C -1.630 173.017 174.900 -0.421 0.000 1.198 352 G CA -0.524 44.105 45.100 -0.785 0.000 1.126 352 G HN 0.532 nan 8.290 nan 0.000 0.589 353 W N 0.072 121.099 121.300 -0.455 0.000 2.481 353 W HA 0.780 5.435 4.660 -0.009 0.000 0.369 353 W C -0.502 175.971 176.519 -0.078 0.000 1.235 353 W CA -1.366 55.854 57.345 -0.208 0.000 1.344 353 W CB 0.902 30.215 29.460 -0.244 0.000 1.360 353 W HN 0.266 nan 8.180 nan 0.000 0.658 354 V N 3.246 123.240 119.914 0.133 0.000 2.432 354 V HA 0.686 4.800 4.120 -0.010 0.000 0.275 354 V C 0.795 176.979 176.094 0.150 0.000 1.043 354 V CA 0.490 62.833 62.300 0.072 0.000 0.925 354 V CB 0.012 31.876 31.823 0.068 0.000 0.985 354 V HN 1.298 nan 8.190 nan 0.000 0.466 355 G N 5.149 113.994 108.800 0.076 0.000 2.781 355 G HA2 -0.183 3.771 3.960 -0.010 0.000 0.683 355 G HA3 -0.183 3.771 3.960 -0.010 0.000 0.683 355 G C 0.328 175.340 174.900 0.186 0.000 1.390 355 G CA 0.120 45.291 45.100 0.119 0.000 0.850 355 G HN 0.640 nan 8.290 nan 0.000 0.557 356 R N -0.622 119.978 120.500 0.167 0.000 2.062 356 R HA 0.105 4.439 4.340 -0.010 0.000 0.231 356 R C 1.944 178.269 176.300 0.041 0.000 1.136 356 R CA 2.160 58.333 56.100 0.121 0.000 0.948 356 R CB -0.086 30.299 30.300 0.142 0.000 0.845 356 R HN 0.480 nan 8.270 nan 0.000 0.430 357 F N -0.969 119.120 119.950 0.233 0.000 2.834 357 F HA 0.248 4.769 4.527 -0.010 0.000 0.332 357 F C 0.252 176.077 175.800 0.041 0.000 1.056 357 F CA -0.411 57.670 58.000 0.134 0.000 1.178 357 F CB 0.802 39.876 39.000 0.123 0.000 1.037 357 F HN -0.094 nan 8.300 nan 0.000 0.580 358 R N -1.497 119.138 120.500 0.224 0.000 2.765 358 R HA 0.380 4.714 4.340 -0.010 0.000 0.277 358 R C -3.339 173.017 176.300 0.094 0.000 1.028 358 R CA -1.819 54.339 56.100 0.098 0.000 0.860 358 R CB 0.021 30.323 30.300 0.004 0.000 1.270 358 R HN -0.364 nan 8.270 nan 0.000 0.484 359 P HA -0.020 nan 4.420 nan 0.000 0.264 359 P C -0.265 177.051 177.300 0.026 0.000 1.183 359 P CA 0.176 63.291 63.100 0.027 0.000 0.763 359 P CB 0.768 32.458 31.700 -0.017 0.000 0.807 360 S N 2.107 117.835 115.700 0.047 0.000 2.589 360 S HA 0.145 4.610 4.470 -0.010 0.000 0.265 360 S C 0.225 174.835 174.600 0.016 0.000 1.342 360 S CA -0.660 57.581 58.200 0.068 0.000 1.005 360 S CB 0.342 63.605 63.200 0.104 0.000 0.909 360 S HN 0.505 nan 8.310 nan 0.000 0.555 361 E N 1.144 121.369 120.200 0.041 0.000 2.301 361 E HA 0.431 4.776 4.350 -0.010 0.000 0.275 361 E C -2.774 173.793 176.600 -0.055 0.000 1.030 361 E CA -2.395 53.983 56.400 -0.037 0.000 0.852 361 E CB 0.304 29.988 29.700 -0.026 0.000 1.060 361 E HN 0.470 nan 8.360 nan 0.000 0.401 362 P HA 0.263 nan 4.420 nan 0.000 0.282 362 P C -0.716 176.445 177.300 -0.232 0.000 1.259 362 P CA -0.411 62.535 63.100 -0.256 0.000 0.826 362 P CB 0.898 32.090 31.700 -0.846 0.000 1.064 363 H N 1.419 120.494 119.070 0.009 0.000 2.887 363 H HA 0.288 4.838 4.556 -0.010 0.000 0.300 363 H C -0.265 175.190 175.328 0.212 0.000 1.038 363 H CA -0.312 55.836 56.048 0.167 0.000 1.352 363 H CB 0.207 30.082 29.762 0.189 0.000 1.473 363 H HN 0.285 nan 8.280 nan 0.000 0.503 364 F N 1.697 121.812 119.950 0.275 0.000 2.410 364 F HA 0.069 4.591 4.527 -0.010 0.000 0.334 364 F C 1.750 177.733 175.800 0.305 0.000 1.134 364 F CA -0.306 57.874 58.000 0.300 0.000 1.227 364 F CB 0.820 39.930 39.000 0.183 0.000 1.194 364 F HN 0.352 nan 8.300 nan 0.000 0.571 365 T N -0.168 114.681 114.554 0.492 0.000 2.770 365 T HA 0.196 4.541 4.350 -0.010 0.000 0.281 365 T C 1.112 175.995 174.700 0.305 0.000 0.981 365 T CA -0.758 61.568 62.100 0.375 0.000 0.955 365 T CB 0.657 69.732 68.868 0.345 0.000 1.060 365 T HN 0.527 nan 8.240 nan 0.000 0.531 366 L N 1.408 122.771 121.223 0.232 0.000 1.978 366 L HA -0.126 4.208 4.340 -0.010 0.000 0.218 366 L C 2.139 179.114 176.870 0.175 0.000 1.075 366 L CA 2.659 57.608 54.840 0.183 0.000 0.767 366 L CB -1.143 41.002 42.059 0.145 0.000 0.890 366 L HN 0.963 nan 8.230 nan 0.000 0.434 367 D N -1.233 119.270 120.400 0.172 0.000 2.378 367 D HA 0.061 4.695 4.640 -0.010 0.000 0.227 367 D C 1.578 177.983 176.300 0.176 0.000 1.012 367 D CA 0.765 54.857 54.000 0.153 0.000 0.905 367 D CB -0.680 40.200 40.800 0.132 0.000 0.895 367 D HN 0.524 nan 8.370 nan 0.000 0.532 368 G N 0.448 109.389 108.800 0.234 0.000 2.166 368 G HA2 -0.426 3.528 3.960 -0.010 0.000 0.260 368 G HA3 -0.426 3.528 3.960 -0.010 0.000 0.260 368 G C 0.821 175.925 174.900 0.339 0.000 0.986 368 G CA 0.564 45.830 45.100 0.276 0.000 0.683 368 G HN 0.530 nan 8.290 nan 0.000 0.527 369 N N -0.205 118.663 118.700 0.279 0.000 2.424 369 N HA 0.238 4.973 4.740 -0.010 0.000 0.178 369 N C 0.849 176.494 175.510 0.226 0.000 1.060 369 N CA 0.672 53.859 53.050 0.230 0.000 0.901 369 N CB 0.178 38.754 38.487 0.147 0.000 0.979 369 N HN 0.611 nan 8.380 nan 0.000 0.451 370 S N -0.164 115.692 115.700 0.259 0.000 2.607 370 S HA 0.709 5.173 4.470 -0.010 0.000 0.273 370 S C -1.063 173.634 174.600 0.161 0.000 1.148 370 S CA -1.061 57.187 58.200 0.081 0.000 0.833 370 S CB 1.659 64.806 63.200 -0.088 0.000 1.130 370 S HN 0.203 nan 8.310 nan 0.000 0.470 371 F N -1.993 117.821 119.950 -0.228 0.000 2.713 371 F HA 0.820 5.341 4.527 -0.009 0.000 0.311 371 F C -2.310 173.363 175.800 -0.212 0.000 1.141 371 F CA -1.529 56.292 58.000 -0.299 0.000 0.939 371 F CB 0.659 39.073 39.000 -0.976 0.000 1.325 371 F HN 0.573 nan 8.300 nan 0.000 0.453 372 Y N 1.153 121.568 120.300 0.191 0.000 2.393 372 Y HA 0.697 5.241 4.550 -0.010 0.000 0.341 372 Y C -0.629 175.400 175.900 0.215 0.000 0.988 372 Y CA -0.979 57.221 58.100 0.168 0.000 1.078 372 Y CB 2.177 40.698 38.460 0.102 0.000 1.203 372 Y HN 0.715 nan 8.280 nan 0.000 0.453 373 K N 1.193 121.784 120.400 0.318 0.000 2.557 373 K HA 0.588 4.902 4.320 -0.010 0.000 0.261 373 K C -1.787 174.933 176.600 0.199 0.000 0.932 373 K CA -0.656 55.770 56.287 0.233 0.000 0.829 373 K CB 1.375 33.943 32.500 0.113 0.000 1.358 373 K HN 0.587 nan 8.250 nan 0.000 0.430 374 I N 4.383 125.050 120.570 0.161 0.000 2.533 374 I HA 0.218 4.382 4.170 -0.010 0.000 0.284 374 I C 0.261 176.464 176.117 0.143 0.000 1.109 374 I CA -0.174 61.209 61.300 0.138 0.000 1.412 374 I CB -0.034 38.029 38.000 0.106 0.000 1.396 374 I HN 0.662 nan 8.210 nan 0.000 0.543 375 I N 2.005 122.688 120.570 0.190 0.000 2.994 375 I HA 0.467 4.631 4.170 -0.010 0.000 0.306 375 I C -0.296 175.940 176.117 0.198 0.000 1.195 375 I CA -0.811 60.598 61.300 0.182 0.000 1.001 375 I CB 2.127 40.253 38.000 0.210 0.000 1.244 375 I HN 0.344 nan 8.210 nan 0.000 0.437 376 S N 2.611 118.374 115.700 0.104 0.000 2.531 376 S HA 0.212 4.676 4.470 -0.010 0.000 0.279 376 S C 0.192 174.838 174.600 0.077 0.000 1.305 376 S CA -0.217 57.994 58.200 0.018 0.000 1.058 376 S CB -0.186 62.969 63.200 -0.075 0.000 0.899 376 S HN 0.672 nan 8.310 nan 0.000 0.493 377 N N 2.237 120.894 118.700 -0.071 0.000 2.260 377 N HA 0.030 4.764 4.740 -0.010 0.000 0.230 377 N C 1.061 176.505 175.510 -0.111 0.000 1.323 377 N CA 0.000 52.900 53.050 -0.251 0.000 0.897 377 N CB 0.321 38.642 38.487 -0.276 0.000 1.146 377 N HN 0.816 nan 8.380 nan 0.000 0.460 378 E N 0.162 120.282 120.200 -0.134 0.000 2.285 378 E HA -0.065 4.279 4.350 -0.010 0.000 0.194 378 E C 0.743 177.301 176.600 -0.069 0.000 0.997 378 E CA 0.981 57.347 56.400 -0.057 0.000 0.845 378 E CB 0.127 29.799 29.700 -0.046 0.000 0.782 378 E HN 0.566 nan 8.360 nan 0.000 0.491 379 E N -1.356 118.795 120.200 -0.082 0.000 2.474 379 E HA 0.079 4.424 4.350 -0.010 0.000 0.195 379 E C 0.488 177.065 176.600 -0.037 0.000 1.039 379 E CA 0.420 56.809 56.400 -0.019 0.000 0.881 379 E CB 0.228 29.948 29.700 0.033 0.000 0.970 379 E HN 0.384 nan 8.360 nan 0.000 0.486 380 G N 0.733 109.460 108.800 -0.123 0.000 2.141 380 G HA2 -0.280 3.675 3.960 -0.010 0.000 0.242 380 G HA3 -0.280 3.675 3.960 -0.010 0.000 0.242 380 G C -0.393 174.248 174.900 -0.432 0.000 0.982 380 G CA 0.211 45.142 45.100 -0.282 0.000 0.662 380 G HN 0.232 nan 8.290 nan 0.000 0.527 381 Y N 0.213 120.376 120.300 -0.229 0.000 2.342 381 Y HA 0.642 5.186 4.550 -0.009 0.000 0.334 381 Y C 1.147 176.862 175.900 -0.310 0.000 1.067 381 Y CA -0.904 57.034 58.100 -0.270 0.000 1.128 381 Y CB 1.045 39.349 38.460 -0.259 0.000 1.200 381 Y HN 0.079 nan 8.280 nan 0.000 0.464 382 R N 3.704 124.059 120.500 -0.242 0.000 2.296 382 R HA 0.237 4.572 4.340 -0.010 0.000 0.323 382 R C -0.734 175.292 176.300 -0.457 0.000 1.067 382 R CA 0.056 56.024 56.100 -0.220 0.000 0.946 382 R CB 0.018 30.240 30.300 -0.130 0.000 0.991 382 R HN 0.648 nan 8.270 nan 0.000 0.448 383 H N 1.726 120.768 119.070 -0.047 0.000 2.949 383 H HA 0.340 4.890 4.556 -0.009 0.000 0.356 383 H C -0.068 175.328 175.328 0.112 0.000 1.212 383 H CA -0.968 55.031 56.048 -0.082 0.000 1.136 383 H CB 1.532 31.136 29.762 -0.263 0.000 1.869 383 H HN 0.318 nan 8.280 nan 0.000 0.556 384 I N 1.306 121.972 120.570 0.161 0.000 2.452 384 I HA 0.031 4.195 4.170 -0.010 0.000 0.287 384 I C 0.333 176.518 176.117 0.113 0.000 1.079 384 I CA 0.189 61.549 61.300 0.100 0.000 1.387 384 I CB 0.272 38.234 38.000 -0.063 0.000 1.404 384 I HN 0.115 nan 8.210 nan 0.000 0.522 385 c N 7.345 125.967 118.600 0.036 0.000 2.417 385 c HA 0.393 4.957 4.570 -0.010 0.000 0.324 385 c C -0.302 173.727 174.090 -0.102 0.000 1.240 385 c CA -0.525 55.632 56.329 -0.288 0.000 1.632 385 c CB 0.879 42.985 42.510 -0.673 0.000 2.241 385 c HN 0.631 nan 8.230 nan 0.000 0.499 386 Y N 5.347 125.375 120.300 -0.452 0.000 2.350 386 Y HA 0.630 5.174 4.550 -0.010 0.000 0.340 386 Y C -0.930 174.556 175.900 -0.690 0.000 1.006 386 Y CA -0.674 57.080 58.100 -0.576 0.000 1.166 386 Y CB 0.039 38.225 38.460 -0.457 0.000 1.168 386 Y HN 0.600 nan 8.280 nan 0.000 0.502 387 F N 3.090 122.383 119.950 -1.094 0.000 2.541 387 F HA 0.550 5.071 4.527 -0.009 0.000 0.331 387 F C -0.321 174.826 175.800 -1.088 0.000 1.057 387 F CA -0.970 56.308 58.000 -1.203 0.000 0.975 387 F CB 1.581 39.449 39.000 -1.886 0.000 1.246 387 F HN 0.257 nan 8.300 nan 0.000 0.484 388 Q N 1.111 120.632 119.800 -0.464 0.000 2.330 388 Q HA 0.405 4.739 4.340 -0.010 0.000 0.269 388 Q C 0.898 176.921 176.000 0.039 0.000 1.022 388 Q CA -0.346 55.309 55.803 -0.247 0.000 0.796 388 Q CB 1.663 30.273 28.738 -0.214 0.000 1.271 388 Q HN 0.646 nan 8.270 nan 0.000 0.450 389 I N -1.262 119.413 120.570 0.174 0.000 2.479 389 I HA -0.208 3.957 4.170 -0.010 0.000 0.258 389 I C -0.401 175.931 176.117 0.358 0.000 1.165 389 I CA 1.460 62.988 61.300 0.379 0.000 1.422 389 I CB -0.059 38.147 38.000 0.344 0.000 1.087 389 I HN 0.426 nan 8.210 nan 0.000 0.441 390 D N 0.159 120.671 120.400 0.188 0.000 2.891 390 D HA 0.368 5.002 4.640 -0.010 0.000 0.332 390 D C -0.413 175.911 176.300 0.041 0.000 1.369 390 D CA -0.343 53.714 54.000 0.094 0.000 0.827 390 D CB 0.464 41.296 40.800 0.053 0.000 1.141 390 D HN 0.084 nan 8.370 nan 0.000 0.464 391 K N 0.801 121.246 120.400 0.074 0.000 2.378 391 K HA 0.337 4.652 4.320 -0.010 0.000 0.252 391 K C 0.951 177.557 176.600 0.009 0.000 0.931 391 K CA -0.840 55.440 56.287 -0.012 0.000 0.794 391 K CB 1.861 34.302 32.500 -0.097 0.000 1.181 391 K HN 0.003 nan 8.250 nan 0.000 0.425 392 K N 0.271 120.643 120.400 -0.046 0.000 2.031 392 K HA 0.038 4.352 4.320 -0.010 0.000 0.205 392 K C -0.440 176.123 176.600 -0.063 0.000 1.049 392 K CA 1.056 57.317 56.287 -0.044 0.000 0.939 392 K CB 0.040 32.507 32.500 -0.055 0.000 0.717 392 K HN 0.335 nan 8.250 nan 0.000 0.438 393 D N 1.078 121.395 120.400 -0.138 0.000 2.192 393 D HA 0.201 4.836 4.640 -0.010 0.000 0.246 393 D C -0.358 175.689 176.300 -0.421 0.000 1.042 393 D CA -0.680 53.181 54.000 -0.232 0.000 0.847 393 D CB 1.506 42.203 40.800 -0.171 0.000 1.186 393 D HN 0.453 nan 8.370 nan 0.000 0.461 394 c N 0.355 118.539 118.600 -0.693 0.000 2.345 394 c HA 0.839 5.403 4.570 -0.010 0.000 0.369 394 c C 0.193 173.872 174.090 -0.686 0.000 1.273 394 c CA -0.537 55.179 56.329 -1.022 0.000 2.310 394 c CB 0.824 42.123 42.510 -2.019 0.000 2.219 394 c HN 0.502 nan 8.230 nan 0.000 0.587 395 T N 1.760 115.964 114.554 -0.582 0.000 2.809 395 T HA 0.464 4.809 4.350 -0.010 0.000 0.284 395 T C -0.687 173.822 174.700 -0.318 0.000 0.992 395 T CA 0.132 62.047 62.100 -0.308 0.000 0.957 395 T CB 0.310 69.145 68.868 -0.055 0.000 0.942 395 T HN 0.479 nan 8.240 nan 0.000 0.439 396 F N 3.294 123.140 119.950 -0.173 0.000 2.538 396 F HA 0.231 4.752 4.527 -0.010 0.000 0.371 396 F C 1.697 177.315 175.800 -0.303 0.000 1.087 396 F CA -0.761 57.115 58.000 -0.206 0.000 1.250 396 F CB 0.390 39.269 39.000 -0.202 0.000 1.110 396 F HN 0.579 nan 8.300 nan 0.000 0.570 397 I N -0.794 119.628 120.570 -0.247 0.000 3.968 397 I HA 0.237 4.401 4.170 -0.010 0.000 0.328 397 I C 0.187 176.079 176.117 -0.374 0.000 1.290 397 I CA 0.104 60.987 61.300 -0.693 0.000 1.163 397 I CB 0.026 37.398 38.000 -1.047 0.000 1.024 397 I HN 0.502 nan 8.210 nan 0.000 0.413 398 T N 0.020 114.430 114.554 -0.241 0.000 2.896 398 T HA 0.701 5.046 4.350 -0.010 0.000 0.297 398 T C -0.708 173.569 174.700 -0.705 0.000 1.108 398 T CA -0.674 61.254 62.100 -0.286 0.000 1.004 398 T CB 2.846 71.608 68.868 -0.176 0.000 1.159 398 T HN 0.501 nan 8.240 nan 0.000 0.499 399 K N -0.265 119.568 120.400 -0.945 0.000 2.617 399 K HA 0.789 5.103 4.320 -0.010 0.000 0.293 399 K C -0.388 175.575 176.600 -1.063 0.000 1.034 399 K CA -0.763 54.697 56.287 -1.379 0.000 0.884 399 K CB 1.194 33.276 32.500 -0.698 0.000 1.541 399 K HN 1.745 nan 8.250 nan 0.000 0.409 400 G N -0.186 108.089 108.800 -0.876 0.000 2.355 400 G HA2 0.050 4.004 3.960 -0.010 0.000 0.619 400 G HA3 0.050 4.004 3.960 -0.010 0.000 0.619 400 G C -0.662 173.752 174.900 -0.810 0.000 1.337 400 G CA -0.384 44.362 45.100 -0.590 0.000 0.993 400 G HN 1.078 nan 8.290 nan 0.000 0.599 401 T N -0.402 113.816 114.554 -0.560 0.000 4.098 401 T HA 0.562 4.906 4.350 -0.010 0.000 0.291 401 T C 0.252 174.764 174.700 -0.313 0.000 1.440 401 T CA 0.642 62.207 62.100 -0.891 0.000 1.164 401 T CB -0.922 67.667 68.868 -0.465 0.000 1.313 401 T HN 1.623 nan 8.240 nan 0.000 0.951 402 W N -0.225 120.892 121.300 -0.306 0.000 2.926 402 W HA 0.622 5.276 4.660 -0.010 0.000 0.361 402 W C -1.577 174.933 176.519 -0.016 0.000 1.195 402 W CA -0.971 56.353 57.345 -0.035 0.000 1.177 402 W CB 0.603 30.037 29.460 -0.043 0.000 1.453 402 W HN 0.216 nan 8.180 nan 0.000 0.571 403 E N 0.699 121.074 120.200 0.291 0.000 2.343 403 E HA 0.467 4.812 4.350 -0.010 0.000 0.270 403 E C -1.209 175.504 176.600 0.189 0.000 0.895 403 E CA -1.182 55.173 56.400 -0.074 0.000 0.767 403 E CB 3.328 33.028 29.700 0.000 0.000 1.248 403 E HN 0.164 nan 8.360 nan 0.000 0.440 404 V N 3.411 123.299 119.914 -0.044 0.000 2.488 404 V HA 0.019 4.133 4.120 -0.010 0.000 0.277 404 V C 1.216 177.401 176.094 0.151 0.000 1.046 404 V CA -0.080 62.311 62.300 0.152 0.000 0.986 404 V CB 0.636 32.446 31.823 -0.023 0.000 0.989 404 V HN 0.689 nan 8.190 nan 0.000 0.475 405 I N 3.143 123.832 120.570 0.199 0.000 2.333 405 I HA 0.219 4.384 4.170 -0.010 0.000 0.246 405 I C 1.121 177.349 176.117 0.185 0.000 1.106 405 I CA 1.249 62.654 61.300 0.176 0.000 1.411 405 I CB -0.733 37.313 38.000 0.077 0.000 1.082 405 I HN 0.766 nan 8.210 nan 0.000 0.420 406 G N 0.615 109.527 108.800 0.187 0.000 2.655 406 G HA2 0.471 4.425 3.960 -0.010 0.000 0.296 406 G HA3 0.471 4.425 3.960 -0.010 0.000 0.296 406 G C -1.126 173.874 174.900 0.167 0.000 1.485 406 G CA -0.606 44.602 45.100 0.179 0.000 0.869 406 G HN -0.035 nan 8.290 nan 0.000 0.540 407 I N 1.864 122.492 120.570 0.096 0.000 2.396 407 I HA 0.171 4.335 4.170 -0.010 0.000 0.289 407 I C 0.867 176.946 176.117 -0.065 0.000 1.056 407 I CA -0.381 60.880 61.300 -0.065 0.000 1.365 407 I CB 1.460 39.221 38.000 -0.398 0.000 1.407 407 I HN 0.513 nan 8.210 nan 0.000 0.509 408 E N 5.096 125.293 120.200 -0.005 0.000 2.251 408 E HA 0.290 4.634 4.350 -0.010 0.000 0.194 408 E C 0.168 176.682 176.600 -0.144 0.000 0.964 408 E CA 0.252 56.678 56.400 0.044 0.000 0.868 408 E CB 0.686 30.502 29.700 0.192 0.000 0.828 408 E HN 0.681 nan 8.360 nan 0.000 0.481 409 A N 0.697 123.330 122.820 -0.311 0.000 2.594 409 A HA 0.573 4.887 4.320 -0.010 0.000 0.296 409 A C -1.931 175.533 177.584 -0.201 0.000 1.061 409 A CA -0.661 51.117 52.037 -0.431 0.000 0.689 409 A CB 1.247 19.481 19.000 -1.277 0.000 1.280 409 A HN 0.048 nan 8.150 nan 0.000 0.406 410 L N 2.001 123.168 121.223 -0.092 0.000 2.404 410 L HA 0.794 5.128 4.340 -0.010 0.000 0.272 410 L C 0.190 177.084 176.870 0.040 0.000 0.980 410 L CA 0.368 55.197 54.840 -0.018 0.000 0.836 410 L CB 1.902 43.987 42.059 0.043 0.000 1.238 410 L HN 1.071 nan 8.230 nan 0.000 0.408 411 T N -0.085 114.510 114.554 0.070 0.000 2.938 411 T HA 0.405 4.750 4.350 -0.010 0.000 0.285 411 T C 1.062 175.812 174.700 0.083 0.000 1.028 411 T CA 0.001 62.157 62.100 0.094 0.000 1.005 411 T CB 1.323 70.284 68.868 0.153 0.000 1.157 411 T HN 0.646 nan 8.240 nan 0.000 0.550 412 S N -0.916 114.837 115.700 0.088 0.000 2.507 412 S HA -0.075 4.389 4.470 -0.010 0.000 0.235 412 S C 1.086 175.703 174.600 0.028 0.000 0.988 412 S CA 1.115 59.361 58.200 0.076 0.000 0.944 412 S CB -0.496 62.751 63.200 0.078 0.000 0.762 412 S HN 0.775 nan 8.310 nan 0.000 0.526 413 D N -0.403 120.019 120.400 0.038 0.000 2.566 413 D HA 0.249 4.883 4.640 -0.010 0.000 0.253 413 D C -0.415 175.730 176.300 -0.259 0.000 0.992 413 D CA 0.573 54.547 54.000 -0.042 0.000 0.940 413 D CB 0.337 41.234 40.800 0.160 0.000 1.095 413 D HN 0.424 nan 8.370 nan 0.000 0.480 414 Y N -0.394 119.856 120.300 -0.084 0.000 2.605 414 Y HA 0.485 5.029 4.550 -0.010 0.000 0.343 414 Y C -0.592 175.152 175.900 -0.259 0.000 1.036 414 Y CA -1.201 56.762 58.100 -0.228 0.000 1.065 414 Y CB 1.771 39.971 38.460 -0.435 0.000 1.288 414 Y HN -0.198 nan 8.280 nan 0.000 0.481 415 L N 2.875 123.986 121.223 -0.187 0.000 2.319 415 L HA 0.496 4.831 4.340 -0.010 0.000 0.281 415 L C -1.968 174.810 176.870 -0.154 0.000 1.005 415 L CA -0.841 53.873 54.840 -0.211 0.000 0.828 415 L CB 0.279 42.102 42.059 -0.393 0.000 1.227 415 L HN 0.623 nan 8.230 nan 0.000 0.415 416 Y N 5.990 126.211 120.300 -0.131 0.000 2.330 416 Y HA 0.541 5.085 4.550 -0.010 0.000 0.336 416 Y C -0.055 175.852 175.900 0.011 0.000 1.036 416 Y CA -0.304 57.730 58.100 -0.110 0.000 1.125 416 Y CB 1.244 39.530 38.460 -0.290 0.000 1.194 416 Y HN 0.573 nan 8.280 nan 0.000 0.469 417 Y N 0.757 121.106 120.300 0.081 0.000 2.615 417 Y HA 0.795 5.339 4.550 -0.010 0.000 0.341 417 Y C -1.769 174.207 175.900 0.128 0.000 1.089 417 Y CA -1.732 56.411 58.100 0.072 0.000 1.049 417 Y CB 1.175 39.656 38.460 0.034 0.000 1.296 417 Y HN 0.275 nan 8.280 nan 0.000 0.470 418 I N 3.068 123.783 120.570 0.242 0.000 2.412 418 I HA 0.606 4.771 4.170 -0.010 0.000 0.296 418 I C -0.178 176.089 176.117 0.250 0.000 0.987 418 I CA -0.249 61.139 61.300 0.147 0.000 1.180 418 I CB 1.533 39.589 38.000 0.094 0.000 1.340 418 I HN 0.907 nan 8.210 nan 0.000 0.455 419 S N 3.980 119.780 115.700 0.168 0.000 2.656 419 S HA 0.456 4.920 4.470 -0.010 0.000 0.273 419 S C -0.464 174.165 174.600 0.047 0.000 1.168 419 S CA -0.789 57.512 58.200 0.168 0.000 0.817 419 S CB 1.905 65.242 63.200 0.228 0.000 1.146 419 S HN 0.578 nan 8.310 nan 0.000 0.475 420 N N -0.281 118.459 118.700 0.067 0.000 2.380 420 N HA 0.148 4.882 4.740 -0.010 0.000 0.255 420 N C 0.522 175.991 175.510 -0.067 0.000 1.158 420 N CA -0.167 52.884 53.050 0.003 0.000 0.878 420 N CB 0.314 38.805 38.487 0.007 0.000 1.138 420 N HN 0.840 nan 8.380 nan 0.000 0.509 421 E N -0.012 119.977 120.200 -0.350 0.000 2.072 421 E HA -0.198 4.146 4.350 -0.010 0.000 0.191 421 E C -0.284 176.138 176.600 -0.296 0.000 0.985 421 E CA 0.195 56.142 56.400 -0.754 0.000 0.801 421 E CB -0.147 28.462 29.700 -1.819 0.000 0.750 421 E HN 0.384 nan 8.360 nan 0.000 0.452 422 Y N 1.827 122.018 120.300 -0.182 0.000 2.881 422 Y HA -0.119 4.425 4.550 -0.010 0.000 0.335 422 Y C 0.432 176.288 175.900 -0.072 0.000 1.263 422 Y CA 0.971 59.026 58.100 -0.076 0.000 1.572 422 Y CB 0.172 38.621 38.460 -0.019 0.000 1.237 422 Y HN 0.140 nan 8.280 nan 0.000 0.568 423 K N 3.488 123.535 120.400 -0.588 0.000 3.349 423 K HA -0.217 4.097 4.320 -0.010 0.000 0.310 423 K C 0.708 177.209 176.600 -0.165 0.000 1.267 423 K CA 1.274 57.300 56.287 -0.433 0.000 0.920 423 K CB -1.599 30.625 32.500 -0.461 0.000 1.240 423 K HN 1.395 nan 8.250 nan 0.000 0.453 424 G N -0.049 108.670 108.800 -0.134 0.000 2.283 424 G HA2 -0.340 3.614 3.960 -0.010 0.000 0.280 424 G HA3 -0.340 3.614 3.960 -0.010 0.000 0.280 424 G C -0.013 174.848 174.900 -0.064 0.000 1.029 424 G CA 0.740 45.810 45.100 -0.050 0.000 0.840 424 G HN 0.292 nan 8.290 nan 0.000 0.505 425 M N 0.892 120.394 119.600 -0.163 0.000 2.080 425 M HA 0.235 4.709 4.480 -0.010 0.000 0.350 425 M C -0.827 175.245 176.300 -0.380 0.000 1.143 425 M CA -2.076 52.982 55.300 -0.403 0.000 1.064 425 M CB 1.723 34.153 32.600 -0.283 0.000 1.429 425 M HN -0.042 nan 8.290 nan 0.000 0.418 426 P HA -0.102 nan 4.420 nan 0.000 0.222 426 P C 1.001 178.172 177.300 -0.214 0.000 1.147 426 P CA 1.238 64.183 63.100 -0.259 0.000 0.790 426 P CB 0.133 31.694 31.700 -0.232 0.000 0.780 427 G N -0.581 108.023 108.800 -0.327 0.000 3.088 427 G HA2 0.277 4.232 3.960 -0.010 0.000 0.212 427 G HA3 0.277 4.232 3.960 -0.010 0.000 0.212 427 G C 0.692 175.607 174.900 0.025 0.000 1.173 427 G CA 0.122 45.157 45.100 -0.108 0.000 0.779 427 G HN 0.445 nan 8.290 nan 0.000 0.540 428 G N -0.288 108.474 108.800 -0.063 0.000 2.471 428 G HA2 0.655 4.609 3.960 -0.010 0.000 0.332 428 G HA3 0.655 4.609 3.960 -0.010 0.000 0.332 428 G C -0.896 173.906 174.900 -0.162 0.000 1.176 428 G CA -0.766 44.327 45.100 -0.011 0.000 0.949 428 G HN 0.068 nan 8.290 nan 0.000 0.488 429 R N 0.969 121.329 120.500 -0.233 0.000 2.533 429 R HA 0.428 4.763 4.340 -0.010 0.000 0.288 429 R C -1.270 174.992 176.300 -0.063 0.000 1.039 429 R CA -0.783 55.144 56.100 -0.290 0.000 0.909 429 R CB 2.062 31.916 30.300 -0.744 0.000 1.195 429 R HN 0.631 nan 8.270 nan 0.000 0.438 430 N N 1.717 120.408 118.700 -0.015 0.000 2.329 430 N HA 0.314 5.048 4.740 -0.010 0.000 0.282 430 N C -1.271 174.166 175.510 -0.121 0.000 1.198 430 N CA -0.825 52.153 53.050 -0.119 0.000 0.790 430 N CB 2.816 41.151 38.487 -0.253 0.000 1.579 430 N HN 0.245 nan 8.380 nan 0.000 0.475 431 L N 2.126 123.132 121.223 -0.362 0.000 2.292 431 L HA 0.483 4.818 4.340 -0.010 0.000 0.284 431 L C -1.410 175.164 176.870 -0.493 0.000 1.065 431 L CA 0.101 54.759 54.840 -0.302 0.000 0.806 431 L CB -0.075 41.788 42.059 -0.326 0.000 1.175 431 L HN 0.410 nan 8.230 nan 0.000 0.431 432 Y N 3.204 123.154 120.300 -0.583 0.000 2.602 432 Y HA 0.650 5.194 4.550 -0.010 0.000 0.342 432 Y C -0.562 174.983 175.900 -0.592 0.000 1.029 432 Y CA -0.989 56.718 58.100 -0.654 0.000 1.080 432 Y CB 1.669 39.550 38.460 -0.965 0.000 1.284 432 Y HN 0.565 nan 8.280 nan 0.000 0.485 433 K N 1.610 121.860 120.400 -0.251 0.000 2.482 433 K HA 0.700 5.014 4.320 -0.010 0.000 0.251 433 K C -1.956 174.641 176.600 -0.006 0.000 0.936 433 K CA -0.668 55.425 56.287 -0.323 0.000 0.791 433 K CB 2.480 34.536 32.500 -0.740 0.000 1.213 433 K HN 0.747 nan 8.250 nan 0.000 0.428 434 I N 2.670 123.302 120.570 0.105 0.000 2.362 434 I HA 0.157 4.321 4.170 -0.010 0.000 0.289 434 I C -0.509 175.640 176.117 0.053 0.000 0.994 434 I CA -0.701 60.694 61.300 0.158 0.000 1.158 434 I CB 1.726 39.833 38.000 0.178 0.000 1.315 434 I HN 0.883 nan 8.210 nan 0.000 0.451 435 Q N 5.534 125.330 119.800 -0.007 0.000 2.255 435 Q HA 0.035 4.369 4.340 -0.010 0.000 0.280 435 Q C 0.137 176.005 176.000 -0.220 0.000 1.068 435 Q CA -0.333 55.228 55.803 -0.403 0.000 0.911 435 Q CB 1.054 29.626 28.738 -0.277 0.000 1.157 435 Q HN 0.781 nan 8.270 nan 0.000 0.380 436 L N 3.312 124.350 121.223 -0.308 0.000 2.275 436 L HA -0.112 4.222 4.340 -0.010 0.000 0.215 436 L C 1.941 178.691 176.870 -0.201 0.000 1.119 436 L CA 1.388 56.151 54.840 -0.129 0.000 0.790 436 L CB -0.521 41.448 42.059 -0.151 0.000 0.919 436 L HN 0.614 nan 8.230 nan 0.000 0.443 437 S N -1.715 113.831 115.700 -0.256 0.000 2.446 437 S HA -0.009 4.456 4.470 -0.010 0.000 0.225 437 S C 0.567 174.989 174.600 -0.297 0.000 1.016 437 S CA 0.441 58.491 58.200 -0.249 0.000 0.943 437 S CB 0.099 63.185 63.200 -0.190 0.000 0.786 437 S HN 0.356 nan 8.310 nan 0.000 0.508 438 D N -0.343 119.900 120.400 -0.262 0.000 2.323 438 D HA 0.221 4.856 4.640 -0.010 0.000 0.242 438 D C -0.478 175.780 176.300 -0.071 0.000 1.347 438 D CA -0.496 53.378 54.000 -0.210 0.000 0.988 438 D CB 0.283 41.016 40.800 -0.112 0.000 1.314 438 D HN -0.052 nan 8.370 nan 0.000 0.564 439 Y N 1.298 121.568 120.300 -0.049 0.000 2.651 439 Y HA -0.068 4.476 4.550 -0.009 0.000 0.296 439 Y C 2.345 178.245 175.900 -0.001 0.000 1.150 439 Y CA 0.688 58.772 58.100 -0.028 0.000 1.348 439 Y CB -0.626 37.820 38.460 -0.023 0.000 0.983 439 Y HN 0.316 nan 8.280 nan 0.000 0.555 440 T N -0.500 114.124 114.554 0.116 0.000 3.023 440 T HA -0.041 4.303 4.350 -0.010 0.000 0.266 440 T C 0.855 175.601 174.700 0.077 0.000 1.093 440 T CA 0.653 62.801 62.100 0.081 0.000 1.129 440 T CB -0.114 68.776 68.868 0.036 0.000 0.899 440 T HN 0.185 nan 8.240 nan 0.000 0.491 441 K N 2.248 122.692 120.400 0.073 0.000 2.265 441 K HA 0.382 4.697 4.320 -0.010 0.000 0.242 441 K C -0.887 175.782 176.600 0.116 0.000 1.137 441 K CA -0.207 56.127 56.287 0.078 0.000 1.082 441 K CB 1.017 33.552 32.500 0.057 0.000 1.731 441 K HN 0.048 nan 8.250 nan 0.000 0.392 442 V N 1.750 121.739 119.914 0.126 0.000 2.370 442 V HA 0.368 4.483 4.120 -0.010 0.000 0.283 442 V C -0.739 175.428 176.094 0.121 0.000 1.023 442 V CA -0.007 62.388 62.300 0.158 0.000 0.857 442 V CB 1.603 33.552 31.823 0.211 0.000 0.985 442 V HN 0.478 nan 8.190 nan 0.000 0.443 443 T N 6.291 120.885 114.554 0.067 0.000 2.807 443 T HA 0.321 4.666 4.350 -0.010 0.000 0.279 443 T C -0.491 174.116 174.700 -0.155 0.000 0.993 443 T CA -0.268 61.814 62.100 -0.030 0.000 0.970 443 T CB 1.135 69.958 68.868 -0.075 0.000 0.950 443 T HN 0.922 nan 8.240 nan 0.000 0.441 444 C N 4.921 124.035 119.300 -0.310 0.000 2.394 444 C HA 0.445 4.899 4.460 -0.010 0.000 0.362 444 C C 1.586 176.236 174.990 -0.568 0.000 1.268 444 C CA -0.565 57.973 59.018 -0.799 0.000 1.828 444 C CB -1.771 25.376 27.740 -0.988 0.000 2.442 444 C HN 0.987 nan 8.230 nan 0.000 0.549 445 L N 4.644 125.518 121.223 -0.582 0.000 2.529 445 L HA 0.096 4.431 4.340 -0.010 0.000 0.223 445 L C 2.119 178.689 176.870 -0.500 0.000 1.113 445 L CA 0.852 55.442 54.840 -0.418 0.000 0.861 445 L CB -0.159 41.704 42.059 -0.327 0.000 1.012 445 L HN 0.890 nan 8.230 nan 0.000 0.461 446 S N -3.286 111.994 115.700 -0.701 0.000 2.593 446 S HA -0.016 4.448 4.470 -0.010 0.000 0.235 446 S C 1.845 176.022 174.600 -0.705 0.000 1.059 446 S CA -0.048 57.625 58.200 -0.877 0.000 0.953 446 S CB -0.331 61.935 63.200 -1.557 0.000 0.897 446 S HN 0.290 nan 8.310 nan 0.000 0.507 447 C N 2.198 121.055 119.300 -0.738 0.000 2.375 447 C HA -0.063 4.392 4.460 -0.010 0.000 0.274 447 C C 2.505 177.171 174.990 -0.540 0.000 1.190 447 C CA 1.651 60.152 59.018 -0.862 0.000 1.775 447 C CB -1.141 25.908 27.740 -1.151 0.000 2.067 447 C HN 0.617 nan 8.230 nan 0.000 0.463 448 E N -0.071 119.914 120.200 -0.358 0.000 2.474 448 E HA 0.176 4.520 4.350 -0.010 0.000 0.195 448 E C 1.895 178.433 176.600 -0.104 0.000 1.039 448 E CA -0.074 56.220 56.400 -0.177 0.000 0.881 448 E CB -0.234 29.388 29.700 -0.129 0.000 0.970 448 E HN 0.558 nan 8.360 nan 0.000 0.486 449 L N 0.221 121.377 121.223 -0.112 0.000 1.990 449 L HA -0.148 4.186 4.340 -0.010 0.000 0.213 449 L C 0.939 177.812 176.870 0.006 0.000 1.072 449 L CA 1.055 55.876 54.840 -0.032 0.000 0.755 449 L CB -0.109 41.957 42.059 0.011 0.000 0.889 449 L HN 0.131 nan 8.230 nan 0.000 0.432 450 N N -1.825 116.891 118.700 0.028 0.000 2.824 450 N HA 0.139 4.874 4.740 -0.010 0.000 0.224 450 N C -2.173 173.356 175.510 0.030 0.000 1.418 450 N CA -0.978 52.085 53.050 0.021 0.000 0.743 450 N CB 0.912 39.407 38.487 0.014 0.000 1.395 450 N HN -0.242 nan 8.380 nan 0.000 0.548 451 P HA -0.164 nan 4.420 nan 0.000 0.216 451 P C 0.949 178.290 177.300 0.069 0.000 1.154 451 P CA 1.421 64.563 63.100 0.070 0.000 0.865 451 P CB 0.517 32.270 31.700 0.087 0.000 0.789 452 E N -1.106 119.118 120.200 0.040 0.000 2.107 452 E HA -0.143 4.201 4.350 -0.010 0.000 0.191 452 E C 2.182 178.786 176.600 0.008 0.000 0.982 452 E CA 0.841 57.257 56.400 0.027 0.000 0.809 452 E CB -0.268 29.440 29.700 0.013 0.000 0.756 452 E HN 0.279 nan 8.360 nan 0.000 0.459 453 R N -0.043 120.450 120.500 -0.012 0.000 2.223 453 R HA 0.070 4.404 4.340 -0.010 0.000 0.198 453 R C -0.035 176.223 176.300 -0.070 0.000 0.984 453 R CA 0.369 56.440 56.100 -0.048 0.000 1.018 453 R CB 0.489 30.748 30.300 -0.068 0.000 0.945 453 R HN 0.014 nan 8.270 nan 0.000 0.479 454 c N 0.936 119.509 118.600 -0.046 0.000 2.344 454 c HA 0.412 4.976 4.570 -0.010 0.000 0.326 454 c C 0.022 174.121 174.090 0.014 0.000 1.201 454 c CA -0.693 55.569 56.329 -0.112 0.000 1.410 454 c CB 1.423 43.812 42.510 -0.201 0.000 2.070 454 c HN 0.503 nan 8.230 nan 0.000 0.445 455 Q N 0.466 120.274 119.800 0.013 0.000 2.103 455 Q HA 0.193 4.527 4.340 -0.010 0.000 0.219 455 Q C -0.986 175.104 176.000 0.149 0.000 0.784 455 Q CA 0.086 55.963 55.803 0.124 0.000 1.014 455 Q CB 1.380 30.200 28.738 0.136 0.000 1.183 455 Q HN 0.795 nan 8.270 nan 0.000 0.469 456 Y N 0.420 120.655 120.300 -0.107 0.000 2.333 456 Y HA 0.376 4.920 4.550 -0.009 0.000 0.324 456 Y C -1.610 174.170 175.900 -0.200 0.000 1.033 456 Y CA -1.016 57.034 58.100 -0.083 0.000 1.224 456 Y CB 0.851 39.260 38.460 -0.085 0.000 1.120 456 Y HN -0.078 nan 8.280 nan 0.000 0.457 457 Y N 2.204 122.434 120.300 -0.116 0.000 2.509 457 Y HA 0.677 5.221 4.550 -0.009 0.000 0.341 457 Y C 0.157 176.007 175.900 -0.084 0.000 1.038 457 Y CA -0.679 57.373 58.100 -0.080 0.000 1.089 457 Y CB 2.305 40.690 38.460 -0.124 0.000 1.241 457 Y HN 0.513 nan 8.280 nan 0.000 0.468 458 S N 0.704 116.498 115.700 0.157 0.000 2.667 458 S HA 0.893 5.357 4.470 -0.010 0.000 0.292 458 S C -1.540 173.142 174.600 0.137 0.000 1.126 458 S CA -0.760 57.517 58.200 0.129 0.000 0.881 458 S CB 1.906 65.192 63.200 0.144 0.000 1.132 458 S HN 0.650 nan 8.310 nan 0.000 0.492 459 V N 0.137 120.135 119.914 0.140 0.000 3.114 459 V HA 0.867 4.981 4.120 -0.010 0.000 0.308 459 V C -1.356 174.843 176.094 0.176 0.000 1.168 459 V CA -0.247 62.119 62.300 0.111 0.000 1.015 459 V CB 2.317 34.154 31.823 0.022 0.000 1.050 459 V HN 1.206 nan 8.190 nan 0.000 0.433 460 S N 4.252 120.046 115.700 0.157 0.000 2.789 460 S HA 0.672 5.136 4.470 -0.010 0.000 0.286 460 S C -1.214 173.566 174.600 0.300 0.000 1.153 460 S CA -0.379 58.011 58.200 0.316 0.000 1.084 460 S CB 0.379 63.806 63.200 0.380 0.000 1.036 460 S HN 0.500 nan 8.310 nan 0.000 0.484 461 F N 2.826 122.842 119.950 0.111 0.000 2.370 461 F HA 0.495 5.016 4.527 -0.010 0.000 0.324 461 F C 1.422 176.751 175.800 -0.784 0.000 1.116 461 F CA -0.268 57.613 58.000 -0.199 0.000 1.123 461 F CB 1.254 40.113 39.000 -0.236 0.000 1.238 461 F HN 0.611 nan 8.300 nan 0.000 0.536 462 S N 1.232 116.293 115.700 -1.064 0.000 2.655 462 S HA 0.222 4.686 4.470 -0.010 0.000 0.265 462 S C 1.120 175.458 174.600 -0.436 0.000 1.240 462 S CA -0.849 56.483 58.200 -1.446 0.000 0.986 462 S CB 0.906 63.310 63.200 -1.328 0.000 0.985 462 S HN 0.497 nan 8.310 nan 0.000 0.562 463 K N 0.988 121.276 120.400 -0.186 0.000 2.107 463 K HA -0.129 4.186 4.320 -0.010 0.000 0.211 463 K C 0.998 177.575 176.600 -0.039 0.000 1.049 463 K CA 1.690 57.963 56.287 -0.024 0.000 0.927 463 K CB -0.442 32.096 32.500 0.065 0.000 0.714 463 K HN 0.711 nan 8.250 nan 0.000 0.452 464 E N -0.959 119.188 120.200 -0.089 0.000 2.569 464 E HA 0.245 4.589 4.350 -0.010 0.000 0.205 464 E C -0.066 176.466 176.600 -0.113 0.000 1.006 464 E CA 0.159 56.516 56.400 -0.071 0.000 0.985 464 E CB 0.637 30.303 29.700 -0.056 0.000 1.060 464 E HN 0.226 nan 8.360 nan 0.000 0.460 465 A N 1.615 124.352 122.820 -0.139 0.000 2.872 465 A HA -0.305 4.009 4.320 -0.010 0.000 0.273 465 A C 1.461 178.981 177.584 -0.107 0.000 1.442 465 A CA 1.625 53.609 52.037 -0.088 0.000 0.801 465 A CB -2.060 16.755 19.000 -0.308 0.000 1.031 465 A HN 0.272 nan 8.150 nan 0.000 0.582 466 K N -1.807 118.448 120.400 -0.241 0.000 2.167 466 K HA 0.092 4.407 4.320 -0.010 0.000 0.203 466 K C 0.101 176.316 176.600 -0.641 0.000 1.052 466 K CA 1.414 57.431 56.287 -0.451 0.000 0.956 466 K CB 0.021 32.159 32.500 -0.603 0.000 0.735 466 K HN 0.679 nan 8.250 nan 0.000 0.451 467 Y N -1.033 119.165 120.300 -0.170 0.000 2.605 467 Y HA 0.331 4.875 4.550 -0.010 0.000 0.343 467 Y C -0.932 174.868 175.900 -0.167 0.000 1.036 467 Y CA -1.341 56.680 58.100 -0.132 0.000 1.065 467 Y CB 1.677 40.109 38.460 -0.047 0.000 1.288 467 Y HN -0.021 nan 8.280 nan 0.000 0.481 468 Y N -1.043 119.222 120.300 -0.058 0.000 2.519 468 Y HA 0.506 5.050 4.550 -0.010 0.000 0.336 468 Y C -1.343 174.560 175.900 0.004 0.000 1.089 468 Y CA -1.439 56.464 58.100 -0.328 0.000 1.025 468 Y CB 1.487 39.179 38.460 -1.279 0.000 1.318 468 Y HN 0.609 nan 8.280 nan 0.000 0.452 469 Q N 4.080 123.998 119.800 0.196 0.000 2.290 469 Q HA 0.575 4.909 4.340 -0.010 0.000 0.259 469 Q C -1.801 174.279 176.000 0.133 0.000 0.941 469 Q CA -0.699 55.187 55.803 0.138 0.000 0.912 469 Q CB 1.321 30.119 28.738 0.099 0.000 1.244 469 Q HN 0.965 nan 8.270 nan 0.000 0.441 470 L N 4.246 125.555 121.223 0.143 0.000 2.309 470 L HA 0.533 4.868 4.340 -0.010 0.000 0.282 470 L C -0.168 176.757 176.870 0.093 0.000 1.036 470 L CA -0.569 54.363 54.840 0.153 0.000 0.806 470 L CB 1.385 43.536 42.059 0.152 0.000 1.220 470 L HN 0.607 nan 8.230 nan 0.000 0.429 471 R N 2.360 122.888 120.500 0.048 0.000 2.358 471 R HA 0.284 4.619 4.340 -0.010 0.000 0.309 471 R C -0.976 175.130 176.300 -0.323 0.000 1.026 471 R CA -0.491 55.458 56.100 -0.252 0.000 0.909 471 R CB 1.436 31.659 30.300 -0.129 0.000 1.153 471 R HN 0.596 nan 8.270 nan 0.000 0.515 472 c N 2.848 121.121 118.600 -0.545 0.000 2.394 472 c HA 0.320 4.884 4.570 -0.010 0.000 0.362 472 c C 1.462 175.295 174.090 -0.428 0.000 1.268 472 c CA -0.259 55.643 56.329 -0.712 0.000 1.828 472 c CB -0.088 41.971 42.510 -0.753 0.000 2.442 472 c HN 0.948 nan 8.230 nan 0.000 0.549 473 S N 3.780 119.330 115.700 -0.250 0.000 2.650 473 S HA 0.609 5.074 4.470 -0.010 0.000 0.240 473 S C 0.347 174.905 174.600 -0.070 0.000 1.007 473 S CA 0.212 58.337 58.200 -0.125 0.000 0.984 473 S CB 0.043 63.208 63.200 -0.058 0.000 0.910 473 S HN 1.884 nan 8.310 nan 0.000 0.509 474 G N 1.784 110.527 108.800 -0.095 0.000 2.328 474 G HA2 0.389 4.343 3.960 -0.010 0.000 0.299 474 G HA3 0.389 4.343 3.960 -0.010 0.000 0.299 474 G C -2.972 171.909 174.900 -0.031 0.000 1.435 474 G CA -0.504 44.582 45.100 -0.023 0.000 0.865 474 G HN -0.127 nan 8.290 nan 0.000 0.601 475 P HA 0.085 nan 4.420 nan 0.000 0.222 475 P C 1.403 178.728 177.300 0.042 0.000 1.153 475 P CA 1.482 64.609 63.100 0.046 0.000 0.798 475 P CB 0.255 31.979 31.700 0.040 0.000 0.796 476 G N 0.502 109.259 108.800 -0.072 0.000 2.516 476 G HA2 0.318 4.272 3.960 -0.010 0.000 0.276 476 G HA3 0.318 4.272 3.960 -0.010 0.000 0.276 476 G C -0.150 174.498 174.900 -0.420 0.000 1.390 476 G CA -0.676 44.304 45.100 -0.200 0.000 1.050 476 G HN 0.060 nan 8.290 nan 0.000 0.519 477 L N 1.140 122.046 121.223 -0.529 0.000 2.456 477 L HA 0.153 4.488 4.340 -0.010 0.000 0.272 477 L C -1.838 174.848 176.870 -0.306 0.000 1.189 477 L CA -1.281 53.199 54.840 -0.601 0.000 0.846 477 L CB 0.808 42.610 42.059 -0.429 0.000 1.111 477 L HN 0.240 nan 8.230 nan 0.000 0.475 478 P HA -0.002 nan 4.420 nan 0.000 0.264 478 P C -0.952 176.284 177.300 -0.106 0.000 1.183 478 P CA 0.102 63.123 63.100 -0.133 0.000 0.763 478 P CB 0.506 32.239 31.700 0.056 0.000 0.807 479 L N 5.571 126.639 121.223 -0.259 0.000 2.406 479 L HA 0.481 4.815 4.340 -0.010 0.000 0.272 479 L C -1.755 174.945 176.870 -0.284 0.000 0.980 479 L CA -0.697 54.055 54.840 -0.146 0.000 0.831 479 L CB 0.912 42.893 42.059 -0.130 0.000 1.253 479 L HN 0.201 nan 8.230 nan 0.000 0.406 480 Y N 2.812 123.058 120.300 -0.089 0.000 2.331 480 Y HA 0.755 5.300 4.550 -0.010 0.000 0.338 480 Y C 0.611 176.399 175.900 -0.188 0.000 0.992 480 Y CA -0.482 57.545 58.100 -0.122 0.000 1.121 480 Y CB 1.959 40.320 38.460 -0.165 0.000 1.184 480 Y HN 0.696 nan 8.280 nan 0.000 0.469 481 T N 1.336 115.879 114.554 -0.019 0.000 2.906 481 T HA 0.713 5.057 4.350 -0.010 0.000 0.295 481 T C -1.288 173.319 174.700 -0.155 0.000 1.075 481 T CA -0.959 61.075 62.100 -0.110 0.000 1.005 481 T CB 1.770 70.631 68.868 -0.012 0.000 1.136 481 T HN 0.541 nan 8.240 nan 0.000 0.498 482 L N 1.636 122.624 121.223 -0.391 0.000 2.346 482 L HA 0.656 4.991 4.340 -0.010 0.000 0.274 482 L C -1.139 175.337 176.870 -0.657 0.000 1.007 482 L CA -0.738 53.907 54.840 -0.325 0.000 0.818 482 L CB 1.764 43.678 42.059 -0.242 0.000 1.284 482 L HN 0.925 nan 8.230 nan 0.000 0.424 483 H N 0.062 118.890 119.070 -0.403 0.000 2.946 483 H HA 0.505 5.055 4.556 -0.010 0.000 0.365 483 H C -0.717 174.410 175.328 -0.335 0.000 1.197 483 H CA -0.771 54.964 56.048 -0.522 0.000 1.131 483 H CB 1.915 31.030 29.762 -1.078 0.000 1.849 483 H HN 0.438 nan 8.280 nan 0.000 0.555 484 S N -0.284 115.384 115.700 -0.055 0.000 2.473 484 S HA 0.301 4.766 4.470 -0.010 0.000 0.307 484 S C 0.345 174.943 174.600 -0.004 0.000 1.094 484 S CA -0.810 57.377 58.200 -0.021 0.000 1.070 484 S CB 1.790 65.002 63.200 0.021 0.000 1.019 484 S HN 0.564 nan 8.310 nan 0.000 0.480 485 S N 1.677 117.381 115.700 0.007 0.000 2.399 485 S HA -0.124 4.340 4.470 -0.010 0.000 0.231 485 S C 1.978 176.602 174.600 0.041 0.000 1.022 485 S CA 1.057 59.335 58.200 0.130 0.000 0.983 485 S CB -0.432 62.809 63.200 0.069 0.000 0.803 485 S HN 0.673 nan 8.310 nan 0.000 0.480 486 V N 2.689 122.580 119.914 -0.037 0.000 2.250 486 V HA -0.297 3.818 4.120 -0.010 0.000 0.250 486 V C 0.896 176.983 176.094 -0.013 0.000 1.060 486 V CA 2.491 64.774 62.300 -0.027 0.000 1.030 486 V CB -0.497 31.300 31.823 -0.043 0.000 0.643 486 V HN 0.619 nan 8.190 nan 0.000 0.445 487 N N -1.614 117.083 118.700 -0.004 0.000 2.159 487 N HA 0.183 4.917 4.740 -0.010 0.000 0.217 487 N C -0.328 175.188 175.510 0.010 0.000 1.223 487 N CA 0.463 53.512 53.050 -0.002 0.000 0.896 487 N CB 0.744 39.232 38.487 0.001 0.000 1.064 487 N HN 0.371 nan 8.380 nan 0.000 0.518 488 D N 0.905 121.333 120.400 0.045 0.000 2.907 488 D HA -0.146 4.488 4.640 -0.010 0.000 0.226 488 D C -0.636 175.703 176.300 0.065 0.000 1.141 488 D CA 0.974 55.029 54.000 0.092 0.000 0.779 488 D CB -1.011 39.824 40.800 0.059 0.000 1.095 488 D HN 0.418 nan 8.370 nan 0.000 0.430 489 K N 0.303 120.722 120.400 0.031 0.000 2.270 489 K HA 0.413 4.727 4.320 -0.010 0.000 0.276 489 K C 1.117 177.701 176.600 -0.028 0.000 1.023 489 K CA 0.023 56.313 56.287 0.006 0.000 0.955 489 K CB 0.942 33.437 32.500 -0.009 0.000 0.975 489 K HN 0.104 nan 8.250 nan 0.000 0.471 490 G N 3.311 112.073 108.800 -0.063 0.000 2.444 490 G HA2 0.141 4.095 3.960 -0.010 0.000 0.303 490 G HA3 0.141 4.095 3.960 -0.010 0.000 0.303 490 G C 0.885 175.629 174.900 -0.259 0.000 1.032 490 G CA -0.406 44.536 45.100 -0.264 0.000 1.137 490 G HN 0.577 nan 8.290 nan 0.000 0.430 491 L N 1.654 122.691 121.223 -0.311 0.000 1.994 491 L HA 0.096 4.430 4.340 -0.010 0.000 0.208 491 L C 1.677 178.436 176.870 -0.185 0.000 1.071 491 L CA 1.266 55.991 54.840 -0.191 0.000 0.745 491 L CB -0.360 41.603 42.059 -0.159 0.000 0.892 491 L HN 0.742 nan 8.230 nan 0.000 0.431 492 R N -2.674 117.671 120.500 -0.258 0.000 2.825 492 R HA 0.357 4.691 4.340 -0.010 0.000 0.274 492 R C -1.572 174.584 176.300 -0.240 0.000 1.026 492 R CA -0.947 55.032 56.100 -0.201 0.000 0.867 492 R CB 0.969 31.182 30.300 -0.145 0.000 1.268 492 R HN -0.280 nan 8.270 nan 0.000 0.491 493 V N 3.000 122.805 119.914 -0.183 0.000 2.488 493 V HA 0.135 4.250 4.120 -0.010 0.000 0.277 493 V C 1.381 177.331 176.094 -0.240 0.000 1.046 493 V CA -0.243 61.951 62.300 -0.177 0.000 0.986 493 V CB 1.031 32.788 31.823 -0.109 0.000 0.989 493 V HN 0.637 nan 8.190 nan 0.000 0.475 494 L N 2.462 123.474 121.223 -0.352 0.000 2.168 494 L HA 0.288 4.622 4.340 -0.010 0.000 0.203 494 L C 0.737 177.362 176.870 -0.409 0.000 1.078 494 L CA 0.700 55.143 54.840 -0.660 0.000 0.780 494 L CB 0.197 41.449 42.059 -1.345 0.000 0.939 494 L HN 0.698 nan 8.230 nan 0.000 0.451 495 E N -0.033 120.063 120.200 -0.173 0.000 2.343 495 E HA 0.109 4.454 4.350 -0.010 0.000 0.286 495 E C -1.287 175.367 176.600 0.090 0.000 0.915 495 E CA -0.391 56.009 56.400 0.000 0.000 0.784 495 E CB 1.209 30.914 29.700 0.008 0.000 1.251 495 E HN 0.153 nan 8.360 nan 0.000 0.407 496 D N 3.071 123.498 120.400 0.046 0.000 2.513 496 D HA 0.142 4.776 4.640 -0.010 0.000 0.222 496 D C -0.387 175.925 176.300 0.019 0.000 1.210 496 D CA -0.294 53.722 54.000 0.027 0.000 0.825 496 D CB -0.110 40.683 40.800 -0.011 0.000 1.037 496 D HN 0.436 nan 8.370 nan 0.000 0.506 497 N N 0.719 119.446 118.700 0.045 0.000 2.710 497 N HA -0.223 4.512 4.740 -0.010 0.000 0.249 497 N C 1.019 176.532 175.510 0.006 0.000 1.059 497 N CA 0.980 54.048 53.050 0.031 0.000 0.720 497 N CB -1.372 37.124 38.487 0.016 0.000 0.983 497 N HN 0.521 nan 8.380 nan 0.000 0.544 498 S N -1.358 114.347 115.700 0.008 0.000 2.419 498 S HA -0.027 4.438 4.470 -0.010 0.000 0.233 498 S C 2.046 176.656 174.600 0.017 0.000 1.016 498 S CA 0.892 59.094 58.200 0.003 0.000 0.974 498 S CB -0.035 63.167 63.200 0.004 0.000 0.786 498 S HN 0.517 nan 8.310 nan 0.000 0.492 499 A N 2.174 125.014 122.820 0.033 0.000 1.855 499 A HA 0.116 4.431 4.320 -0.010 0.000 0.215 499 A C 2.213 179.837 177.584 0.068 0.000 1.191 499 A CA 1.496 53.563 52.037 0.050 0.000 0.613 499 A CB -1.001 18.033 19.000 0.056 0.000 0.829 499 A HN 0.528 nan 8.150 nan 0.000 0.442 500 L N 0.409 121.676 121.223 0.073 0.000 2.131 500 L HA -0.165 4.169 4.340 -0.010 0.000 0.210 500 L C 1.813 178.713 176.870 0.051 0.000 1.092 500 L CA 2.754 57.654 54.840 0.100 0.000 0.759 500 L CB -0.666 41.454 42.059 0.101 0.000 0.903 500 L HN 0.501 nan 8.230 nan 0.000 0.435 501 D N -0.972 119.432 120.400 0.007 0.000 2.178 501 D HA -0.177 4.457 4.640 -0.010 0.000 0.202 501 D C 1.910 178.209 176.300 -0.001 0.000 0.974 501 D CA 0.973 54.959 54.000 -0.023 0.000 0.841 501 D CB 0.103 40.877 40.800 -0.043 0.000 0.953 501 D HN 0.167 nan 8.370 nan 0.000 0.478 502 K N -0.367 120.048 120.400 0.024 0.000 2.288 502 K HA 0.005 4.319 4.320 -0.010 0.000 0.201 502 K C 1.999 178.631 176.600 0.054 0.000 1.048 502 K CA 0.596 56.903 56.287 0.034 0.000 0.956 502 K CB -0.113 32.412 32.500 0.041 0.000 0.746 502 K HN 0.407 nan 8.250 nan 0.000 0.461 503 M N 0.028 119.676 119.600 0.081 0.000 2.299 503 M HA 0.024 4.498 4.480 -0.010 0.000 0.264 503 M C 2.071 178.379 176.300 0.015 0.000 1.095 503 M CA 0.986 56.364 55.300 0.131 0.000 1.165 503 M CB -0.254 32.528 32.600 0.303 0.000 1.349 503 M HN -0.061 nan 8.290 nan 0.000 0.446 504 L N 0.966 122.150 121.223 -0.064 0.000 2.265 504 L HA -0.201 4.133 4.340 -0.010 0.000 0.215 504 L C 2.668 179.495 176.870 -0.071 0.000 1.117 504 L CA 1.112 55.865 54.840 -0.144 0.000 0.782 504 L CB -0.898 41.098 42.059 -0.106 0.000 0.914 504 L HN 0.502 nan 8.230 nan 0.000 0.441 505 Q N -0.656 119.127 119.800 -0.028 0.000 2.364 505 Q HA -0.135 4.199 4.340 -0.010 0.000 0.207 505 Q C 1.021 177.024 176.000 0.005 0.000 0.970 505 Q CA 1.102 56.898 55.803 -0.012 0.000 0.888 505 Q CB -0.180 28.557 28.738 -0.001 0.000 0.951 505 Q HN 0.441 nan 8.270 nan 0.000 0.469 506 N N 0.844 119.553 118.700 0.016 0.000 2.270 506 N HA 0.098 4.833 4.740 -0.010 0.000 0.198 506 N C -0.433 175.104 175.510 0.045 0.000 1.117 506 N CA 0.222 53.296 53.050 0.041 0.000 0.845 506 N CB 1.566 40.092 38.487 0.066 0.000 0.980 506 N HN 0.211 nan 8.380 nan 0.000 0.486 507 V N 0.319 120.238 119.914 0.009 0.000 2.769 507 V HA 0.297 4.411 4.120 -0.010 0.000 0.312 507 V C -0.591 175.511 176.094 0.013 0.000 1.061 507 V CA -0.810 61.503 62.300 0.021 0.000 0.931 507 V CB 2.142 33.949 31.823 -0.026 0.000 1.010 507 V HN -0.008 nan 8.190 nan 0.000 0.433 508 Q N 5.995 125.824 119.800 0.048 0.000 2.613 508 Q HA 0.255 4.589 4.340 -0.010 0.000 0.228 508 Q C -0.341 175.655 176.000 -0.007 0.000 1.318 508 Q CA -0.062 55.757 55.803 0.026 0.000 0.907 508 Q CB 0.222 29.014 28.738 0.090 0.000 1.593 508 Q HN 0.622 nan 8.270 nan 0.000 0.559 509 M N 3.345 122.916 119.600 -0.048 0.000 2.241 509 M HA 0.323 4.797 4.480 -0.010 0.000 0.335 509 M C -1.867 174.373 176.300 -0.099 0.000 1.122 509 M CA -2.248 53.011 55.300 -0.069 0.000 1.164 509 M CB -0.021 32.536 32.600 -0.072 0.000 1.459 509 M HN 0.284 nan 8.290 nan 0.000 0.461 510 P HA 0.308 nan 4.420 nan 0.000 0.279 510 P C -0.952 176.260 177.300 -0.146 0.000 1.276 510 P CA -0.374 62.639 63.100 -0.146 0.000 0.801 510 P CB 0.774 32.375 31.700 -0.165 0.000 1.127 511 S N -1.383 114.210 115.700 -0.177 0.000 2.638 511 S HA 0.596 5.060 4.470 -0.010 0.000 0.302 511 S C -0.663 173.826 174.600 -0.186 0.000 1.096 511 S CA -0.842 57.264 58.200 -0.157 0.000 0.953 511 S CB 1.982 65.087 63.200 -0.159 0.000 1.107 511 S HN 0.518 nan 8.310 nan 0.000 0.503 512 K N 0.763 121.079 120.400 -0.139 0.000 2.292 512 K HA 0.398 4.713 4.320 -0.010 0.000 0.257 512 K C -1.204 175.321 176.600 -0.125 0.000 0.940 512 K CA -0.540 55.667 56.287 -0.134 0.000 0.811 512 K CB 1.310 33.758 32.500 -0.087 0.000 1.120 512 K HN 0.746 nan 8.250 nan 0.000 0.428 513 K N 6.024 126.333 120.400 -0.151 0.000 2.265 513 K HA 0.296 4.610 4.320 -0.010 0.000 0.267 513 K C -1.360 175.172 176.600 -0.113 0.000 0.994 513 K CA -0.659 55.549 56.287 -0.133 0.000 0.860 513 K CB 0.987 33.384 32.500 -0.172 0.000 1.099 513 K HN 0.600 nan 8.250 nan 0.000 0.448 514 L N 4.719 125.903 121.223 -0.065 0.000 2.319 514 L HA 0.455 4.790 4.340 -0.010 0.000 0.281 514 L C -1.323 175.549 176.870 0.003 0.000 1.005 514 L CA -0.197 54.639 54.840 -0.008 0.000 0.828 514 L CB 1.225 43.350 42.059 0.111 0.000 1.227 514 L HN 0.874 nan 8.230 nan 0.000 0.415 515 D N 3.008 123.247 120.400 -0.268 0.000 2.768 515 D HA 0.445 5.079 4.640 -0.010 0.000 0.327 515 D C -1.529 174.459 176.300 -0.520 0.000 1.302 515 D CA -0.050 53.734 54.000 -0.360 0.000 0.897 515 D CB 2.035 42.605 40.800 -0.384 0.000 1.420 515 D HN 0.223 nan 8.370 nan 0.000 0.494 516 F N -0.112 119.533 119.950 -0.508 0.000 2.620 516 F HA 0.774 5.295 4.527 -0.010 0.000 0.320 516 F C -0.604 175.299 175.800 0.173 0.000 1.069 516 F CA -1.039 56.802 58.000 -0.265 0.000 0.953 516 F CB 0.846 39.214 39.000 -1.053 0.000 1.322 516 F HN 0.297 nan 8.300 nan 0.000 0.479 517 I N -0.291 120.535 120.570 0.427 0.000 3.002 517 I HA 0.670 4.834 4.170 -0.010 0.000 0.310 517 I C -1.358 174.997 176.117 0.396 0.000 1.087 517 I CA -1.282 60.182 61.300 0.274 0.000 1.017 517 I CB 2.544 40.659 38.000 0.192 0.000 1.226 517 I HN 0.633 nan 8.210 nan 0.000 0.443 518 I N 4.510 125.243 120.570 0.272 0.000 2.359 518 I HA 0.351 4.515 4.170 -0.010 0.000 0.284 518 I C -0.755 175.509 176.117 0.244 0.000 1.018 518 I CA -0.414 61.050 61.300 0.273 0.000 1.173 518 I CB 1.421 39.542 38.000 0.202 0.000 1.326 518 I HN 0.355 nan 8.210 nan 0.000 0.462 519 L N 7.025 128.476 121.223 0.380 0.000 2.255 519 L HA 0.290 4.625 4.340 -0.010 0.000 0.289 519 L C -0.081 176.941 176.870 0.253 0.000 1.046 519 L CA -0.827 54.193 54.840 0.300 0.000 0.816 519 L CB 0.669 42.928 42.059 0.334 0.000 1.197 519 L HN 0.764 nan 8.230 nan 0.000 0.427 520 N N 3.336 122.118 118.700 0.137 0.000 2.777 520 N HA -0.288 4.447 4.740 -0.010 0.000 0.301 520 N C 0.176 175.738 175.510 0.087 0.000 1.107 520 N CA 0.978 54.083 53.050 0.092 0.000 0.790 520 N CB -0.769 37.757 38.487 0.065 0.000 0.980 520 N HN 0.783 nan 8.380 nan 0.000 0.584 521 E N -4.032 116.209 120.200 0.068 0.000 4.071 521 E HA -0.197 4.147 4.350 -0.010 0.000 0.355 521 E C -0.646 175.958 176.600 0.006 0.000 0.653 521 E CA 1.746 58.168 56.400 0.036 0.000 1.298 521 E CB -1.983 27.730 29.700 0.023 0.000 1.712 521 E HN 0.821 nan 8.360 nan 0.000 0.416 522 T N 1.183 115.744 114.554 0.012 0.000 2.876 522 T HA 0.443 4.788 4.350 -0.010 0.000 0.289 522 T C -0.090 174.463 174.700 -0.245 0.000 1.014 522 T CA -0.811 61.191 62.100 -0.163 0.000 0.986 522 T CB 2.209 70.902 68.868 -0.292 0.000 1.021 522 T HN -0.072 nan 8.240 nan 0.000 0.458 523 K N 2.065 122.259 120.400 -0.343 0.000 2.234 523 K HA 0.457 4.771 4.320 -0.010 0.000 0.282 523 K C -1.147 175.217 176.600 -0.393 0.000 1.039 523 K CA -0.194 55.931 56.287 -0.269 0.000 0.928 523 K CB 0.709 32.920 32.500 -0.482 0.000 1.039 523 K HN 0.472 nan 8.250 nan 0.000 0.470 524 F N 2.069 122.150 119.950 0.218 0.000 2.499 524 F HA 0.269 4.791 4.527 -0.009 0.000 0.333 524 F C -0.426 175.605 175.800 0.385 0.000 1.138 524 F CA -0.983 57.182 58.000 0.274 0.000 0.945 524 F CB 0.953 40.130 39.000 0.295 0.000 1.181 524 F HN 0.463 nan 8.300 nan 0.000 0.435 525 W N 3.601 125.142 121.300 0.403 0.000 2.215 525 W HA 0.486 5.140 4.660 -0.010 0.000 0.342 525 W C -0.455 176.367 176.519 0.506 0.000 1.237 525 W CA -0.470 57.125 57.345 0.416 0.000 1.283 525 W CB 0.374 29.970 29.460 0.226 0.000 1.131 525 W HN 0.465 nan 8.180 nan 0.000 0.606 526 Y N -1.060 119.619 120.300 0.632 0.000 2.689 526 Y HA 0.591 5.135 4.550 -0.010 0.000 0.333 526 Y C -1.089 175.035 175.900 0.373 0.000 1.208 526 Y CA -1.863 56.574 58.100 0.560 0.000 1.055 526 Y CB 0.961 39.889 38.460 0.780 0.000 1.304 526 Y HN 0.561 nan 8.280 nan 0.000 0.455 527 Q N 1.801 121.795 119.800 0.323 0.000 2.456 527 Q HA 0.791 5.125 4.340 -0.010 0.000 0.283 527 Q C -1.833 174.244 176.000 0.128 0.000 1.084 527 Q CA -1.236 54.630 55.803 0.106 0.000 0.801 527 Q CB 3.448 32.240 28.738 0.091 0.000 1.434 527 Q HN 0.852 nan 8.270 nan 0.000 0.419 528 M N 2.273 121.872 119.600 -0.003 0.000 2.213 528 M HA 0.398 4.872 4.480 -0.010 0.000 0.286 528 M C -1.345 174.857 176.300 -0.164 0.000 1.008 528 M CA -0.834 54.415 55.300 -0.085 0.000 0.937 528 M CB 2.204 34.723 32.600 -0.136 0.000 1.600 528 M HN 0.601 nan 8.290 nan 0.000 0.450 529 I N 5.367 125.846 120.570 -0.152 0.000 2.281 529 I HA 0.299 4.463 4.170 -0.010 0.000 0.293 529 I C -0.330 175.625 176.117 -0.269 0.000 1.085 529 I CA -0.139 61.048 61.300 -0.187 0.000 1.257 529 I CB -0.279 37.635 38.000 -0.142 0.000 1.430 529 I HN 0.639 nan 8.210 nan 0.000 0.489 530 L N 8.329 129.330 121.223 -0.371 0.000 2.312 530 L HA 0.430 4.764 4.340 -0.010 0.000 0.281 530 L C -2.119 174.542 176.870 -0.349 0.000 1.070 530 L CA -1.749 52.772 54.840 -0.531 0.000 0.805 530 L CB 0.939 42.430 42.059 -0.947 0.000 1.174 530 L HN 0.251 nan 8.230 nan 0.000 0.434 531 P HA 0.108 nan 4.420 nan 0.000 0.270 531 P C -2.485 174.777 177.300 -0.064 0.000 1.223 531 P CA -0.913 62.109 63.100 -0.130 0.000 0.785 531 P CB -0.078 31.584 31.700 -0.063 0.000 0.923 532 P HA 0.008 nan 4.420 nan 0.000 0.268 532 P C -0.610 176.684 177.300 -0.011 0.000 1.208 532 P CA 0.433 63.460 63.100 -0.122 0.000 0.777 532 P CB -0.288 31.348 31.700 -0.107 0.000 0.875 533 H N -1.536 117.575 119.070 0.069 0.000 2.626 533 H HA -0.223 4.327 4.556 -0.010 0.000 0.317 533 H C -0.061 175.340 175.328 0.121 0.000 1.140 533 H CA -0.172 55.923 56.048 0.078 0.000 1.134 533 H CB -2.324 27.473 29.762 0.058 0.000 1.486 533 H HN 0.296 nan 8.280 nan 0.000 0.417 534 F N 2.073 122.020 119.950 -0.005 0.000 2.612 534 F HA 0.049 4.570 4.527 -0.010 0.000 0.389 534 F C 0.594 176.422 175.800 0.046 0.000 1.055 534 F CA -0.051 57.915 58.000 -0.057 0.000 1.232 534 F CB 0.457 39.320 39.000 -0.228 0.000 1.044 534 F HN 0.308 nan 8.300 nan 0.000 0.560 535 D N 6.376 126.514 120.400 -0.435 0.000 2.464 535 D HA 0.098 4.733 4.640 -0.010 0.000 0.243 535 D C 0.797 176.771 176.300 -0.543 0.000 1.104 535 D CA -0.439 53.356 54.000 -0.342 0.000 0.883 535 D CB 0.988 41.721 40.800 -0.112 0.000 1.050 535 D HN 0.716 nan 8.370 nan 0.000 0.524 536 K N 0.815 120.866 120.400 -0.582 0.000 2.362 536 K HA -0.198 4.116 4.320 -0.010 0.000 0.202 536 K C 1.323 177.908 176.600 -0.025 0.000 1.045 536 K CA 1.680 57.790 56.287 -0.294 0.000 0.936 536 K CB -0.056 32.426 32.500 -0.031 0.000 0.747 536 K HN 0.191 nan 8.250 nan 0.000 0.467 537 S N 0.004 115.660 115.700 -0.075 0.000 2.439 537 S HA -0.012 4.453 4.470 -0.010 0.000 0.224 537 S C 0.954 175.520 174.600 -0.057 0.000 1.029 537 S CA -0.299 57.879 58.200 -0.036 0.000 0.946 537 S CB -0.086 63.086 63.200 -0.046 0.000 0.797 537 S HN 0.363 nan 8.310 nan 0.000 0.504 538 K N 1.561 121.889 120.400 -0.119 0.000 2.149 538 K HA 0.202 4.516 4.320 -0.010 0.000 0.245 538 K C -0.861 175.632 176.600 -0.179 0.000 1.024 538 K CA -0.194 55.960 56.287 -0.222 0.000 0.899 538 K CB 0.383 32.631 32.500 -0.420 0.000 1.038 538 K HN 0.130 nan 8.250 nan 0.000 0.496 539 K N 3.039 123.293 120.400 -0.244 0.000 2.507 539 K HA 0.193 4.507 4.320 -0.010 0.000 0.253 539 K C -1.401 175.106 176.600 -0.155 0.000 0.969 539 K CA -0.524 55.707 56.287 -0.092 0.000 0.908 539 K CB 0.896 33.357 32.500 -0.064 0.000 1.127 539 K HN 0.366 nan 8.250 nan 0.000 0.437 540 Y N 2.786 123.105 120.300 0.032 0.000 2.307 540 Y HA 0.239 4.783 4.550 -0.010 0.000 0.324 540 Y C -1.850 173.987 175.900 -0.106 0.000 1.238 540 Y CA -2.502 55.590 58.100 -0.014 0.000 1.280 540 Y CB 0.249 38.747 38.460 0.064 0.000 1.248 540 Y HN 0.437 nan 8.280 nan 0.000 0.508 541 P HA 0.223 nan 4.420 nan 0.000 0.278 541 P C -1.156 175.954 177.300 -0.317 0.000 1.238 541 P CA -0.304 62.512 63.100 -0.474 0.000 0.794 541 P CB 1.723 32.802 31.700 -1.035 0.000 0.955 542 L N 3.315 124.395 121.223 -0.238 0.000 2.365 542 L HA 0.523 4.857 4.340 -0.010 0.000 0.273 542 L C -1.073 175.935 176.870 0.231 0.000 1.000 542 L CA -1.078 53.774 54.840 0.020 0.000 0.819 542 L CB 1.514 43.622 42.059 0.081 0.000 1.284 542 L HN 0.267 nan 8.230 nan 0.000 0.418 543 L N 5.487 126.886 121.223 0.294 0.000 2.313 543 L HA 0.429 4.763 4.340 -0.010 0.000 0.283 543 L C -1.191 175.919 176.870 0.401 0.000 1.013 543 L CA -0.868 54.229 54.840 0.428 0.000 0.816 543 L CB 1.806 44.080 42.059 0.359 0.000 1.236 543 L HN 0.611 nan 8.230 nan 0.000 0.419 544 L N 5.201 126.715 121.223 0.485 0.000 2.255 544 L HA 0.323 4.657 4.340 -0.010 0.000 0.289 544 L C -0.227 176.881 176.870 0.396 0.000 1.046 544 L CA 0.029 55.135 54.840 0.443 0.000 0.816 544 L CB 0.805 43.169 42.059 0.508 0.000 1.197 544 L HN 0.467 nan 8.230 nan 0.000 0.427 545 D N 4.138 124.745 120.400 0.346 0.000 2.316 545 D HA 0.267 4.901 4.640 -0.010 0.000 0.245 545 D C -1.040 175.338 176.300 0.131 0.000 1.171 545 D CA 0.166 54.289 54.000 0.205 0.000 0.856 545 D CB 1.376 42.356 40.800 0.301 0.000 1.090 545 D HN 0.325 nan 8.370 nan 0.000 0.476 546 V N 5.522 125.433 119.914 -0.004 0.000 2.876 546 V HA 0.424 4.539 4.120 -0.010 0.000 0.312 546 V C -1.117 175.061 176.094 0.140 0.000 1.085 546 V CA -0.482 61.884 62.300 0.110 0.000 0.945 546 V CB 1.869 33.763 31.823 0.119 0.000 1.017 546 V HN 0.647 nan 8.190 nan 0.000 0.428 547 Y N 4.997 125.364 120.300 0.112 0.000 3.105 547 Y HA 0.576 5.120 4.550 -0.010 0.000 0.216 547 Y C 1.571 177.604 175.900 0.221 0.000 0.943 547 Y CA 1.525 59.721 58.100 0.160 0.000 1.535 547 Y CB 0.120 38.656 38.460 0.128 0.000 1.475 547 Y HN 1.234 nan 8.280 nan 0.000 0.435 548 A N 0.852 123.769 122.820 0.161 0.000 2.861 548 A HA -0.171 4.143 4.320 -0.010 0.000 0.261 548 A C 1.019 178.411 177.584 -0.320 0.000 1.351 548 A CA 1.038 53.100 52.037 0.041 0.000 0.904 548 A CB -2.462 16.624 19.000 0.143 0.000 1.076 548 A HN 0.979 nan 8.150 nan 0.000 0.729 549 G N -0.413 107.890 108.800 -0.827 0.000 2.634 549 G HA2 0.485 4.439 3.960 -0.010 0.000 0.255 549 G HA3 0.485 4.439 3.960 -0.010 0.000 0.255 549 G C -1.751 172.801 174.900 -0.581 0.000 1.205 549 G CA -0.549 43.619 45.100 -1.553 0.000 0.884 549 G HN 0.431 nan 8.290 nan 0.000 0.549 550 P HA 0.003 nan 4.420 nan 0.000 0.265 550 P C 0.667 177.824 177.300 -0.237 0.000 1.193 550 P CA 0.251 63.081 63.100 -0.451 0.000 0.765 550 P CB 0.844 31.944 31.700 -1.000 0.000 0.823 551 C N 2.049 121.271 119.300 -0.130 0.000 4.417 551 C HA -0.146 4.308 4.460 -0.010 0.000 0.284 551 C C 1.064 176.059 174.990 0.008 0.000 1.379 551 C CA 1.160 60.075 59.018 -0.171 0.000 1.918 551 C CB -2.669 24.854 27.740 -0.361 0.000 1.280 551 C HN 0.854 nan 8.230 nan 0.000 0.783 552 S N -0.073 115.706 115.700 0.133 0.000 2.669 552 S HA 0.630 5.094 4.470 -0.010 0.000 0.270 552 S C -0.632 174.136 174.600 0.279 0.000 1.225 552 S CA 0.203 58.578 58.200 0.292 0.000 0.991 552 S CB 1.664 65.127 63.200 0.439 0.000 0.987 552 S HN 0.875 nan 8.310 nan 0.000 0.552 553 Q N -0.076 119.915 119.800 0.318 0.000 2.406 553 Q HA 0.328 4.663 4.340 -0.010 0.000 0.244 553 Q C -0.781 175.350 176.000 0.217 0.000 0.884 553 Q CA -0.569 55.409 55.803 0.292 0.000 0.813 553 Q CB 1.010 29.983 28.738 0.392 0.000 1.368 553 Q HN 0.705 nan 8.270 nan 0.000 0.439 554 K N 0.896 121.421 120.400 0.208 0.000 2.353 554 K HA 0.314 4.628 4.320 -0.010 0.000 0.195 554 K C -0.206 176.499 176.600 0.175 0.000 1.031 554 K CA 0.333 56.730 56.287 0.183 0.000 1.079 554 K CB 1.383 34.015 32.500 0.221 0.000 0.857 554 K HN 0.488 nan 8.250 nan 0.000 0.535 555 A N 2.871 125.807 122.820 0.195 0.000 2.322 555 A HA 0.393 4.707 4.320 -0.010 0.000 0.327 555 A C -0.759 176.901 177.584 0.127 0.000 1.394 555 A CA -0.527 51.627 52.037 0.195 0.000 0.921 555 A CB 0.030 19.210 19.000 0.300 0.000 1.153 555 A HN 0.244 nan 8.150 nan 0.000 0.523 556 D N -0.145 120.301 120.400 0.076 0.000 2.752 556 D HA 0.439 5.073 4.640 -0.010 0.000 0.313 556 D C 0.412 176.722 176.300 0.017 0.000 1.225 556 D CA 0.233 54.263 54.000 0.050 0.000 0.976 556 D CB 0.405 41.218 40.800 0.021 0.000 1.443 556 D HN 0.154 nan 8.370 nan 0.000 0.515 557 T N -2.294 112.285 114.554 0.042 0.000 3.206 557 T HA 0.301 4.645 4.350 -0.010 0.000 0.253 557 T C 0.344 175.011 174.700 -0.056 0.000 1.042 557 T CA -0.410 61.710 62.100 0.034 0.000 0.931 557 T CB -0.740 68.194 68.868 0.110 0.000 1.029 557 T HN 0.264 nan 8.240 nan 0.000 0.564 558 V N 2.621 122.399 119.914 -0.226 0.000 2.555 558 V HA 0.319 4.433 4.120 -0.010 0.000 0.286 558 V C 0.098 176.128 176.094 -0.106 0.000 1.044 558 V CA -0.939 61.184 62.300 -0.295 0.000 1.026 558 V CB -0.011 31.514 31.823 -0.496 0.000 0.981 558 V HN 0.573 nan 8.190 nan 0.000 0.480 559 F N 6.604 126.456 119.950 -0.165 0.000 2.420 559 F HA 0.587 5.108 4.527 -0.009 0.000 0.352 559 F C 0.481 176.223 175.800 -0.097 0.000 1.108 559 F CA -0.158 57.772 58.000 -0.117 0.000 1.162 559 F CB 0.301 39.242 39.000 -0.100 0.000 1.118 559 F HN 0.439 nan 8.300 nan 0.000 0.510 560 R N 5.267 125.264 120.500 -0.840 0.000 2.771 560 R HA 0.604 4.939 4.340 -0.010 0.000 0.274 560 R C -1.974 173.899 176.300 -0.712 0.000 0.987 560 R CA -1.255 54.504 56.100 -0.569 0.000 0.908 560 R CB 1.936 32.071 30.300 -0.276 0.000 1.213 560 R HN 0.479 nan 8.270 nan 0.000 0.468 561 L N 3.706 124.710 121.223 -0.364 0.000 2.366 561 L HA 0.360 4.694 4.340 -0.010 0.000 0.266 561 L C -0.948 175.902 176.870 -0.034 0.000 1.010 561 L CA -0.447 54.225 54.840 -0.279 0.000 0.879 561 L CB 0.520 42.550 42.059 -0.049 0.000 1.228 561 L HN 0.737 nan 8.230 nan 0.000 0.439 562 N N 0.022 118.622 118.700 -0.167 0.000 3.479 562 N HA 0.216 4.950 4.740 -0.010 0.000 0.336 562 N C 0.501 175.678 175.510 -0.554 0.000 1.623 562 N CA -0.814 52.042 53.050 -0.323 0.000 0.759 562 N CB -0.045 38.377 38.487 -0.109 0.000 2.016 562 N HN 0.192 nan 8.380 nan 0.000 0.637 563 W N 0.664 121.394 121.300 -0.950 0.000 2.335 563 W HA 0.088 4.743 4.660 -0.009 0.000 0.311 563 W C 2.158 178.638 176.519 -0.065 0.000 1.213 563 W CA 3.029 60.074 57.345 -0.501 0.000 1.274 563 W CB -1.100 28.228 29.460 -0.219 0.000 1.148 563 W HN 0.698 nan 8.180 nan 0.000 0.498 564 A N -0.349 122.482 122.820 0.018 0.000 1.917 564 A HA -0.275 4.039 4.320 -0.010 0.000 0.219 564 A C 1.960 179.452 177.584 -0.152 0.000 1.182 564 A CA 2.896 54.871 52.037 -0.104 0.000 0.633 564 A CB -1.425 17.585 19.000 0.017 0.000 0.819 564 A HN 0.328 nan 8.150 nan 0.000 0.448 565 T N -1.243 113.226 114.554 -0.141 0.000 2.665 565 T HA -0.246 4.098 4.350 -0.010 0.000 0.268 565 T C 1.793 176.506 174.700 0.022 0.000 1.035 565 T CA 1.908 63.891 62.100 -0.195 0.000 1.151 565 T CB -0.511 68.062 68.868 -0.491 0.000 0.862 565 T HN 0.702 nan 8.240 nan 0.000 0.438 566 Y N 1.990 122.364 120.300 0.124 0.000 2.163 566 Y HA -0.028 4.516 4.550 -0.010 0.000 0.288 566 Y C 1.988 177.885 175.900 -0.004 0.000 1.136 566 Y CA 0.899 59.121 58.100 0.202 0.000 1.147 566 Y CB -0.804 37.768 38.460 0.186 0.000 0.987 566 Y HN 0.129 nan 8.280 nan 0.000 0.509 567 L N 0.309 121.105 121.223 -0.712 0.000 2.042 567 L HA -0.258 4.076 4.340 -0.010 0.000 0.210 567 L C 2.835 179.452 176.870 -0.421 0.000 1.076 567 L CA 1.479 55.840 54.840 -0.798 0.000 0.749 567 L CB -1.055 40.600 42.059 -0.673 0.000 0.893 567 L HN 0.426 nan 8.230 nan 0.000 0.432 568 A N -1.183 121.475 122.820 -0.270 0.000 1.872 568 A HA -0.189 4.125 4.320 -0.010 0.000 0.214 568 A C 2.524 180.040 177.584 -0.113 0.000 1.187 568 A CA 1.783 53.715 52.037 -0.175 0.000 0.614 568 A CB -0.678 18.217 19.000 -0.175 0.000 0.826 568 A HN 0.348 nan 8.150 nan 0.000 0.442 569 S N -1.174 114.480 115.700 -0.077 0.000 2.355 569 S HA -0.123 4.341 4.470 -0.010 0.000 0.222 569 S C 1.975 176.599 174.600 0.039 0.000 1.031 569 S CA 2.328 60.535 58.200 0.012 0.000 0.993 569 S CB -0.401 62.862 63.200 0.105 0.000 0.859 569 S HN 0.579 nan 8.310 nan 0.000 0.453 570 T N 1.049 115.606 114.554 0.004 0.000 3.021 570 T HA 0.192 4.536 4.350 -0.010 0.000 0.245 570 T C 1.378 176.057 174.700 -0.035 0.000 1.028 570 T CA 0.499 62.623 62.100 0.039 0.000 1.139 570 T CB -0.096 68.884 68.868 0.187 0.000 0.884 570 T HN 0.286 nan 8.240 nan 0.000 0.457 571 E N 1.318 121.402 120.200 -0.194 0.000 2.479 571 E HA 0.159 4.504 4.350 -0.010 0.000 0.193 571 E C -0.048 176.530 176.600 -0.037 0.000 1.049 571 E CA -0.082 56.240 56.400 -0.129 0.000 0.870 571 E CB -0.382 29.166 29.700 -0.253 0.000 0.944 571 E HN 0.508 nan 8.360 nan 0.000 0.492 572 N N 0.623 119.313 118.700 -0.017 0.000 2.725 572 N HA -0.194 4.540 4.740 -0.010 0.000 0.251 572 N C -0.903 174.673 175.510 0.109 0.000 1.031 572 N CA 0.329 53.432 53.050 0.090 0.000 0.720 572 N CB -1.191 37.408 38.487 0.186 0.000 0.930 572 N HN 0.215 nan 8.380 nan 0.000 0.543 573 I N 0.680 121.239 120.570 -0.018 0.000 2.441 573 I HA 0.369 4.533 4.170 -0.010 0.000 0.295 573 I C 0.519 176.591 176.117 -0.074 0.000 0.994 573 I CA -0.893 60.395 61.300 -0.020 0.000 1.144 573 I CB 1.455 39.446 38.000 -0.016 0.000 1.314 573 I HN 0.025 nan 8.210 nan 0.000 0.445 574 I N 6.351 126.887 120.570 -0.057 0.000 2.396 574 I HA 0.151 4.316 4.170 -0.010 0.000 0.289 574 I C -0.377 175.721 176.117 -0.032 0.000 1.056 574 I CA -0.415 60.824 61.300 -0.102 0.000 1.365 574 I CB 1.035 38.991 38.000 -0.073 0.000 1.407 574 I HN 0.207 nan 8.210 nan 0.000 0.509 575 V N 7.115 126.999 119.914 -0.049 0.000 2.294 575 V HA 0.506 4.620 4.120 -0.010 0.000 0.272 575 V C 0.513 176.638 176.094 0.051 0.000 1.027 575 V CA -0.443 61.880 62.300 0.038 0.000 0.823 575 V CB 0.876 32.713 31.823 0.024 0.000 1.030 575 V HN 0.834 nan 8.190 nan 0.000 0.457 576 A N 3.967 126.843 122.820 0.093 0.000 2.281 576 A HA 0.935 5.249 4.320 -0.010 0.000 0.329 576 A C 0.052 177.785 177.584 0.249 0.000 1.122 576 A CA -0.447 51.646 52.037 0.093 0.000 0.850 576 A CB 1.388 20.315 19.000 -0.123 0.000 1.207 576 A HN 0.660 nan 8.150 nan 0.000 0.495 577 S N -0.593 115.300 115.700 0.321 0.000 2.540 577 S HA 0.688 5.153 4.470 -0.010 0.000 0.275 577 S C -1.575 173.374 174.600 0.580 0.000 1.123 577 S CA -0.291 58.144 58.200 0.392 0.000 0.907 577 S CB 1.273 64.645 63.200 0.286 0.000 1.081 577 S HN 0.772 nan 8.310 nan 0.000 0.476 578 F N 1.984 122.168 119.950 0.389 0.000 2.569 578 F HA 0.501 5.022 4.527 -0.010 0.000 0.312 578 F C -1.561 174.446 175.800 0.345 0.000 1.109 578 F CA -0.784 57.475 58.000 0.433 0.000 0.919 578 F CB 1.520 40.764 39.000 0.407 0.000 1.211 578 F HN 0.397 nan 8.300 nan 0.000 0.446 579 D N 4.607 124.784 120.400 -0.371 0.000 2.454 579 D HA 0.375 5.010 4.640 -0.010 0.000 0.225 579 D C 0.337 176.297 176.300 -0.567 0.000 1.081 579 D CA 0.091 53.939 54.000 -0.254 0.000 0.864 579 D CB 1.531 42.367 40.800 0.060 0.000 1.040 579 D HN 0.775 nan 8.370 nan 0.000 0.517 580 G N 1.303 109.822 108.800 -0.469 0.000 2.773 580 G HA2 0.267 4.221 3.960 -0.010 0.000 0.186 580 G HA3 0.267 4.221 3.960 -0.010 0.000 0.186 580 G C 0.124 174.996 174.900 -0.048 0.000 1.411 580 G CA -0.604 44.261 45.100 -0.391 0.000 1.054 580 G HN 0.251 nan 8.290 nan 0.000 0.579 581 R N -0.615 119.840 120.500 -0.076 0.000 2.585 581 R HA 0.393 4.728 4.340 -0.010 0.000 0.275 581 R C 1.297 177.664 176.300 0.112 0.000 1.018 581 R CA 1.968 58.116 56.100 0.081 0.000 1.072 581 R CB 0.417 30.742 30.300 0.042 0.000 0.953 581 R HN 1.219 nan 8.270 nan 0.000 0.419 582 G N 1.286 110.154 108.800 0.114 0.000 2.258 582 G HA2 -0.310 3.644 3.960 -0.010 0.000 0.233 582 G HA3 -0.310 3.644 3.960 -0.010 0.000 0.233 582 G C 0.304 175.225 174.900 0.036 0.000 1.006 582 G CA 0.174 45.325 45.100 0.085 0.000 0.620 582 G HN 0.764 nan 8.290 nan 0.000 0.511 583 S N 0.825 116.557 115.700 0.054 0.000 2.566 583 S HA 0.509 4.973 4.470 -0.010 0.000 0.280 583 S C 1.079 175.666 174.600 -0.022 0.000 1.343 583 S CA 1.087 59.316 58.200 0.048 0.000 1.036 583 S CB 0.464 63.723 63.200 0.099 0.000 0.866 583 S HN 1.609 nan 8.310 nan 0.000 0.526 584 G N 0.884 109.630 108.800 -0.090 0.000 2.601 584 G HA2 0.529 4.483 3.960 -0.010 0.000 0.317 584 G HA3 0.529 4.483 3.960 -0.010 0.000 0.317 584 G C -1.108 173.620 174.900 -0.286 0.000 1.246 584 G CA -0.603 44.279 45.100 -0.362 0.000 1.012 584 G HN 0.924 nan 8.290 nan 0.000 0.494 585 Y N -2.302 118.005 120.300 0.013 0.000 4.490 585 Y HA -0.207 4.337 4.550 -0.010 0.000 0.233 585 Y C 1.277 177.186 175.900 0.015 0.000 1.101 585 Y CA 0.982 59.094 58.100 0.019 0.000 2.010 585 Y CB -2.241 36.248 38.460 0.048 0.000 1.622 585 Y HN 0.551 nan 8.280 nan 0.000 0.675 586 Q N -0.198 119.613 119.800 0.019 0.000 2.057 586 Q HA 0.500 4.834 4.340 -0.010 0.000 0.216 586 Q C 0.882 176.763 176.000 -0.199 0.000 0.788 586 Q CA 0.177 55.998 55.803 0.031 0.000 1.053 586 Q CB 1.637 30.395 28.738 0.033 0.000 1.210 586 Q HN 0.608 nan 8.270 nan 0.000 0.455 587 G N 0.829 109.380 108.800 -0.415 0.000 2.690 587 G HA2 -0.188 3.766 3.960 -0.010 0.000 0.686 587 G HA3 -0.188 3.766 3.960 -0.010 0.000 0.686 587 G C -0.424 174.094 174.900 -0.637 0.000 1.277 587 G CA -0.520 44.043 45.100 -0.896 0.000 0.799 587 G HN 0.124 nan 8.290 nan 0.000 0.613 588 D N 0.029 120.012 120.400 -0.695 0.000 2.219 588 D HA -0.058 4.576 4.640 -0.010 0.000 0.205 588 D C 2.224 178.233 176.300 -0.485 0.000 0.970 588 D CA 1.313 54.864 54.000 -0.749 0.000 0.851 588 D CB 0.007 40.279 40.800 -0.880 0.000 0.943 588 D HN 0.596 nan 8.370 nan 0.000 0.488 589 K N 0.411 120.590 120.400 -0.369 0.000 2.074 589 K HA -0.137 4.178 4.320 -0.010 0.000 0.209 589 K C 2.065 178.586 176.600 -0.131 0.000 1.048 589 K CA 0.942 57.107 56.287 -0.203 0.000 0.926 589 K CB -0.069 32.331 32.500 -0.168 0.000 0.713 589 K HN 0.127 nan 8.250 nan 0.000 0.444 590 I N 0.256 120.737 120.570 -0.148 0.000 2.235 590 I HA -0.239 3.926 4.170 -0.010 0.000 0.241 590 I C 2.649 178.754 176.117 -0.019 0.000 1.085 590 I CA 0.885 62.167 61.300 -0.029 0.000 1.378 590 I CB -0.122 37.874 38.000 -0.005 0.000 1.076 590 I HN 0.291 nan 8.210 nan 0.000 0.415 591 M N 0.114 119.641 119.600 -0.121 0.000 2.117 591 M HA -0.250 4.224 4.480 -0.010 0.000 0.262 591 M C 1.934 178.283 176.300 0.082 0.000 1.065 591 M CA 2.001 57.261 55.300 -0.066 0.000 1.114 591 M CB -0.345 32.130 32.600 -0.209 0.000 1.361 591 M HN 0.269 nan 8.290 nan 0.000 0.408 592 H N -0.748 118.217 119.070 -0.175 0.000 2.547 592 H HA 0.148 4.698 4.556 -0.010 0.000 0.266 592 H C 1.810 177.149 175.328 0.019 0.000 0.988 592 H CA 0.083 56.031 56.048 -0.166 0.000 1.147 592 H CB 0.136 29.707 29.762 -0.320 0.000 1.365 592 H HN 0.527 nan 8.280 nan 0.000 0.589 593 A N 1.491 124.408 122.820 0.161 0.000 2.019 593 A HA -0.124 4.190 4.320 -0.010 0.000 0.219 593 A C 2.035 179.827 177.584 0.346 0.000 1.164 593 A CA 1.057 53.201 52.037 0.179 0.000 0.644 593 A CB -0.591 18.457 19.000 0.079 0.000 0.805 593 A HN 0.577 nan 8.150 nan 0.000 0.449 594 I N -3.350 117.401 120.570 0.303 0.000 3.904 594 I HA 0.177 4.342 4.170 -0.010 0.000 0.333 594 I C 0.348 176.569 176.117 0.174 0.000 1.361 594 I CA -0.517 60.933 61.300 0.250 0.000 1.116 594 I CB -0.559 37.555 38.000 0.190 0.000 1.028 594 I HN 0.194 nan 8.210 nan 0.000 0.398 595 N N 3.024 121.865 118.700 0.235 0.000 2.357 595 N HA -0.082 4.652 4.740 -0.010 0.000 0.257 595 N C 0.219 175.778 175.510 0.082 0.000 1.250 595 N CA 0.335 53.526 53.050 0.234 0.000 0.862 595 N CB 0.337 38.916 38.487 0.153 0.000 1.066 595 N HN 0.403 nan 8.380 nan 0.000 0.468 596 R N 0.619 121.146 120.500 0.046 0.000 4.000 596 R HA -0.165 4.169 4.340 -0.010 0.000 0.348 596 R C -0.354 175.869 176.300 -0.127 0.000 1.204 596 R CA 0.858 56.941 56.100 -0.027 0.000 0.987 596 R CB -0.752 29.539 30.300 -0.015 0.000 1.446 596 R HN 0.645 nan 8.270 nan 0.000 0.555 597 R N 0.538 120.960 120.500 -0.130 0.000 2.647 597 R HA 0.265 4.599 4.340 -0.010 0.000 0.295 597 R C -0.378 175.937 176.300 0.025 0.000 1.267 597 R CA -0.272 55.643 56.100 -0.308 0.000 1.386 597 R CB 0.430 30.497 30.300 -0.389 0.000 1.309 597 R HN 0.096 nan 8.270 nan 0.000 0.692 598 L N -0.196 121.120 121.223 0.155 0.000 2.439 598 L HA 0.239 4.574 4.340 -0.010 0.000 0.269 598 L C 1.357 178.480 176.870 0.421 0.000 1.179 598 L CA 0.699 55.649 54.840 0.184 0.000 0.828 598 L CB 0.589 42.559 42.059 -0.149 0.000 1.106 598 L HN 0.700 nan 8.230 nan 0.000 0.467 599 G N 0.893 109.967 108.800 0.456 0.000 2.136 599 G HA2 -0.281 3.673 3.960 -0.010 0.000 0.242 599 G HA3 -0.281 3.673 3.960 -0.010 0.000 0.242 599 G C 0.413 175.411 174.900 0.164 0.000 0.989 599 G CA 0.534 45.849 45.100 0.357 0.000 0.682 599 G HN 0.833 nan 8.290 nan 0.000 0.522 600 T N -3.668 110.946 114.554 0.099 0.000 3.257 600 T HA 0.461 4.806 4.350 -0.010 0.000 0.176 600 T C 1.632 176.321 174.700 -0.018 0.000 0.892 600 T CA 0.888 62.944 62.100 -0.073 0.000 1.147 600 T CB -0.035 68.619 68.868 -0.357 0.000 1.840 600 T HN 0.141 nan 8.240 nan 0.000 0.375 601 F N 3.547 123.538 119.950 0.068 0.000 2.161 601 F HA 0.046 4.568 4.527 -0.009 0.000 0.300 601 F C 2.797 178.629 175.800 0.053 0.000 1.089 601 F CA 1.331 59.359 58.000 0.046 0.000 1.282 601 F CB -0.650 38.373 39.000 0.039 0.000 1.010 601 F HN 0.522 nan 8.300 nan 0.000 0.485 602 E N 1.153 121.509 120.200 0.259 0.000 2.204 602 E HA -0.135 4.209 4.350 -0.010 0.000 0.194 602 E C 2.158 178.862 176.600 0.173 0.000 0.989 602 E CA 1.658 58.178 56.400 0.200 0.000 0.824 602 E CB -1.169 28.648 29.700 0.194 0.000 0.756 602 E HN 0.381 nan 8.360 nan 0.000 0.477 603 V N -0.692 119.303 119.914 0.135 0.000 2.535 603 V HA -0.042 4.073 4.120 -0.010 0.000 0.246 603 V C 2.073 178.208 176.094 0.068 0.000 1.045 603 V CA 1.363 63.702 62.300 0.065 0.000 1.058 603 V CB -0.298 31.508 31.823 -0.028 0.000 0.689 603 V HN 0.032 nan 8.190 nan 0.000 0.461 604 E N 0.599 120.854 120.200 0.093 0.000 2.038 604 E HA -0.230 4.114 4.350 -0.010 0.000 0.195 604 E C 1.990 178.631 176.600 0.069 0.000 1.000 604 E CA 1.887 58.338 56.400 0.086 0.000 0.803 604 E CB -0.215 29.569 29.700 0.139 0.000 0.750 604 E HN 0.651 nan 8.360 nan 0.000 0.448 605 D N 0.207 120.666 120.400 0.098 0.000 2.178 605 D HA -0.166 4.469 4.640 -0.010 0.000 0.201 605 D C 1.922 178.277 176.300 0.092 0.000 0.980 605 D CA 0.877 54.930 54.000 0.088 0.000 0.842 605 D CB -0.185 40.702 40.800 0.144 0.000 0.948 605 D HN 0.040 nan 8.370 nan 0.000 0.472 606 Q N 0.285 120.181 119.800 0.160 0.000 2.084 606 Q HA -0.010 4.324 4.340 -0.010 0.000 0.202 606 Q C 2.153 178.204 176.000 0.085 0.000 0.978 606 Q CA 0.830 56.735 55.803 0.170 0.000 0.844 606 Q CB -0.214 28.616 28.738 0.154 0.000 0.898 606 Q HN 0.352 nan 8.270 nan 0.000 0.426 607 I N 0.058 120.678 120.570 0.083 0.000 2.315 607 I HA -0.200 3.964 4.170 -0.010 0.000 0.248 607 I C 2.137 178.220 176.117 -0.057 0.000 1.117 607 I CA 0.870 62.249 61.300 0.131 0.000 1.404 607 I CB -0.245 37.822 38.000 0.111 0.000 1.071 607 I HN 0.207 nan 8.210 nan 0.000 0.419 608 E N 1.127 121.235 120.200 -0.154 0.000 2.072 608 E HA -0.186 4.158 4.350 -0.010 0.000 0.191 608 E C 2.322 178.609 176.600 -0.522 0.000 0.985 608 E CA 1.441 57.678 56.400 -0.272 0.000 0.801 608 E CB -0.161 29.399 29.700 -0.234 0.000 0.750 608 E HN 0.453 nan 8.360 nan 0.000 0.452 609 A N 1.499 123.838 122.820 -0.801 0.000 1.865 609 A HA -0.194 4.120 4.320 -0.010 0.000 0.217 609 A C 2.455 179.198 177.584 -1.401 0.000 1.191 609 A CA 2.602 53.785 52.037 -1.423 0.000 0.623 609 A CB -0.843 17.130 19.000 -1.711 0.000 0.826 609 A HN 0.299 nan 8.150 nan 0.000 0.444 610 A N -0.483 121.970 122.820 -0.612 0.000 1.908 610 A HA -0.217 4.097 4.320 -0.010 0.000 0.218 610 A C 2.263 179.642 177.584 -0.341 0.000 1.181 610 A CA 2.000 53.879 52.037 -0.262 0.000 0.627 610 A CB -0.542 18.410 19.000 -0.079 0.000 0.818 610 A HN 0.597 nan 8.150 nan 0.000 0.445 611 R N -0.523 119.764 120.500 -0.355 0.000 2.081 611 R HA -0.165 4.169 4.340 -0.010 0.000 0.235 611 R C 2.254 178.378 176.300 -0.295 0.000 1.131 611 R CA 1.819 57.750 56.100 -0.282 0.000 0.960 611 R CB -0.270 29.893 30.300 -0.227 0.000 0.856 611 R HN 0.680 nan 8.270 nan 0.000 0.436 612 Q N -0.836 118.706 119.800 -0.431 0.000 2.245 612 Q HA -0.097 4.237 4.340 -0.010 0.000 0.201 612 Q C 1.790 177.618 176.000 -0.286 0.000 0.955 612 Q CA 0.918 56.492 55.803 -0.382 0.000 0.870 612 Q CB 0.085 28.541 28.738 -0.470 0.000 0.945 612 Q HN 0.326 nan 8.270 nan 0.000 0.461 613 F N 0.979 120.762 119.950 -0.278 0.000 2.206 613 F HA -0.122 4.399 4.527 -0.010 0.000 0.298 613 F C 2.694 178.324 175.800 -0.284 0.000 1.090 613 F CA 1.208 59.041 58.000 -0.278 0.000 1.323 613 F CB -1.070 37.811 39.000 -0.199 0.000 1.028 613 F HN 0.040 nan 8.300 nan 0.000 0.492 614 S N -0.745 114.922 115.700 -0.057 0.000 2.474 614 S HA -0.103 4.362 4.470 -0.010 0.000 0.235 614 S C 1.536 176.044 174.600 -0.154 0.000 0.997 614 S CA 0.775 58.908 58.200 -0.113 0.000 0.949 614 S CB -0.313 62.810 63.200 -0.129 0.000 0.766 614 S HN 0.196 nan 8.310 nan 0.000 0.517 615 K N 0.334 120.634 120.400 -0.168 0.000 2.372 615 K HA 0.390 4.705 4.320 -0.010 0.000 0.200 615 K C 1.069 177.553 176.600 -0.193 0.000 1.022 615 K CA -0.000 56.191 56.287 -0.159 0.000 1.125 615 K CB -0.087 32.332 32.500 -0.135 0.000 0.855 615 K HN 0.483 nan 8.250 nan 0.000 0.524 616 M N -0.768 118.651 119.600 -0.302 0.000 2.492 616 M HA -0.015 4.459 4.480 -0.010 0.000 0.262 616 M C 1.057 177.105 176.300 -0.420 0.000 1.090 616 M CA 1.138 56.200 55.300 -0.397 0.000 1.110 616 M CB 0.221 32.442 32.600 -0.632 0.000 1.407 616 M HN 0.395 nan 8.290 nan 0.000 0.470 617 G N 0.469 109.045 108.800 -0.373 0.000 2.218 617 G HA2 -0.255 3.699 3.960 -0.010 0.000 0.216 617 G HA3 -0.255 3.699 3.960 -0.010 0.000 0.216 617 G C 0.344 175.204 174.900 -0.068 0.000 0.994 617 G CA 0.102 45.098 45.100 -0.174 0.000 0.637 617 G HN 0.541 nan 8.290 nan 0.000 0.505 618 F N 0.317 120.316 119.950 0.083 0.000 2.764 618 F HA 0.782 5.303 4.527 -0.010 0.000 0.310 618 F C -0.126 175.781 175.800 0.179 0.000 1.124 618 F CA -1.494 56.585 58.000 0.132 0.000 1.252 618 F CB 0.155 39.278 39.000 0.204 0.000 1.010 618 F HN 0.086 nan 8.300 nan 0.000 0.518 619 V N 1.067 121.015 119.914 0.058 0.000 2.604 619 V HA 0.294 4.409 4.120 -0.010 0.000 0.305 619 V C -0.903 175.186 176.094 -0.007 0.000 1.043 619 V CA -0.702 61.640 62.300 0.070 0.000 0.888 619 V CB 1.894 33.707 31.823 -0.017 0.000 0.995 619 V HN 0.100 nan 8.190 nan 0.000 0.429 620 D N 3.295 123.683 120.400 -0.020 0.000 2.393 620 D HA 0.106 4.740 4.640 -0.010 0.000 0.232 620 D C 1.125 177.378 176.300 -0.078 0.000 1.192 620 D CA -0.353 53.608 54.000 -0.064 0.000 0.882 620 D CB 0.706 41.450 40.800 -0.093 0.000 1.038 620 D HN 0.631 nan 8.370 nan 0.000 0.499 621 N N 3.162 121.817 118.700 -0.076 0.000 2.635 621 N HA -0.161 4.573 4.740 -0.010 0.000 0.191 621 N C 0.817 176.285 175.510 -0.071 0.000 1.155 621 N CA 0.819 53.816 53.050 -0.088 0.000 0.927 621 N CB -0.076 38.355 38.487 -0.094 0.000 0.976 621 N HN 0.371 nan 8.380 nan 0.000 0.448 622 K N -0.296 120.072 120.400 -0.053 0.000 2.361 622 K HA 0.179 4.494 4.320 -0.010 0.000 0.196 622 K C 0.252 176.860 176.600 0.013 0.000 1.039 622 K CA 0.275 56.549 56.287 -0.021 0.000 1.001 622 K CB 0.373 32.862 32.500 -0.018 0.000 0.795 622 K HN 0.146 nan 8.250 nan 0.000 0.495 623 R N 1.207 121.688 120.500 -0.033 0.000 2.835 623 R HA 0.345 4.679 4.340 -0.010 0.000 0.290 623 R C -0.949 175.306 176.300 -0.075 0.000 1.410 623 R CA -0.132 55.953 56.100 -0.024 0.000 1.590 623 R CB 0.534 30.673 30.300 -0.268 0.000 1.288 623 R HN -0.005 nan 8.270 nan 0.000 0.637 624 I N 1.183 121.836 120.570 0.138 0.000 2.378 624 I HA 0.504 4.668 4.170 -0.010 0.000 0.291 624 I C 0.036 176.432 176.117 0.465 0.000 0.992 624 I CA -0.600 60.802 61.300 0.171 0.000 1.154 624 I CB 1.840 39.767 38.000 -0.121 0.000 1.315 624 I HN 0.303 nan 8.210 nan 0.000 0.448 625 A N 7.261 130.493 122.820 0.686 0.000 2.387 625 A HA 0.914 5.228 4.320 -0.010 0.000 0.303 625 A C -1.114 176.885 177.584 0.692 0.000 1.145 625 A CA -0.646 51.796 52.037 0.675 0.000 0.801 625 A CB 2.032 21.305 19.000 0.454 0.000 1.342 625 A HN 0.721 nan 8.150 nan 0.000 0.440 626 I N 0.439 121.302 120.570 0.488 0.000 2.722 626 I HA 0.716 4.880 4.170 -0.010 0.000 0.295 626 I C -2.002 174.363 176.117 0.413 0.000 1.161 626 I CA -0.603 60.889 61.300 0.320 0.000 1.032 626 I CB 1.717 39.584 38.000 -0.222 0.000 1.244 626 I HN 0.949 nan 8.210 nan 0.000 0.421 627 W N 6.922 128.347 121.300 0.208 0.000 3.213 627 W HA 0.830 5.483 4.660 -0.010 0.000 0.318 627 W C -1.530 175.136 176.519 0.245 0.000 1.248 627 W CA -0.988 56.490 57.345 0.221 0.000 1.187 627 W CB 1.005 30.647 29.460 0.304 0.000 1.403 627 W HN 0.833 nan 8.180 nan 0.000 0.556 628 G N 0.912 109.635 108.800 -0.129 0.000 2.646 628 G HA2 0.488 4.442 3.960 -0.010 0.000 0.291 628 G HA3 0.488 4.442 3.960 -0.010 0.000 0.291 628 G C -2.754 172.106 174.900 -0.067 0.000 1.445 628 G CA -0.738 44.155 45.100 -0.346 0.000 0.814 628 G HN 0.601 nan 8.290 nan 0.000 0.495 629 W N 1.102 122.305 121.300 -0.162 0.000 2.632 629 W HA 0.568 5.223 4.660 -0.007 0.000 0.328 629 W C 0.883 177.473 176.519 0.118 0.000 1.044 629 W CA 0.397 57.740 57.345 -0.003 0.000 1.225 629 W CB 1.879 31.347 29.460 0.014 0.000 1.396 629 W HN 1.209 nan 8.180 nan 0.000 0.499 630 S N 3.120 119.062 115.700 0.403 0.000 4.139 630 S HA -0.440 4.024 4.470 -0.010 0.000 0.603 630 S C 1.238 175.950 174.600 0.188 0.000 1.897 630 S CA 2.030 60.471 58.200 0.402 0.000 4.241 630 S CB -1.845 61.796 63.200 0.735 0.000 0.221 630 S HN 0.715 nan 8.310 nan 0.000 0.488 631 Y N 2.560 122.888 120.300 0.046 0.000 2.256 631 Y HA 0.019 4.564 4.550 -0.009 0.000 0.288 631 Y C 2.454 178.297 175.900 -0.095 0.000 1.155 631 Y CA 2.563 60.579 58.100 -0.139 0.000 1.203 631 Y CB -1.056 37.068 38.460 -0.560 0.000 0.980 631 Y HN 0.540 nan 8.280 nan 0.000 0.530 632 G N -1.205 107.671 108.800 0.127 0.000 2.422 632 G HA2 -0.201 3.753 3.960 -0.010 0.000 0.218 632 G HA3 -0.201 3.753 3.960 -0.010 0.000 0.218 632 G C 1.908 176.846 174.900 0.064 0.000 1.140 632 G CA 0.711 45.881 45.100 0.117 0.000 0.775 632 G HN 0.565 nan 8.290 nan 0.000 0.545 633 G N -0.297 108.545 108.800 0.070 0.000 2.403 633 G HA2 -0.174 3.781 3.960 -0.010 0.000 0.216 633 G HA3 -0.174 3.781 3.960 -0.010 0.000 0.216 633 G C 1.573 176.492 174.900 0.032 0.000 1.154 633 G CA 1.003 46.124 45.100 0.035 0.000 0.784 633 G HN 0.411 nan 8.290 nan 0.000 0.538 634 Y N 1.443 121.646 120.300 -0.161 0.000 2.133 634 Y HA -0.101 4.443 4.550 -0.010 0.000 0.287 634 Y C 2.725 178.531 175.900 -0.156 0.000 1.134 634 Y CA 1.537 59.488 58.100 -0.249 0.000 1.133 634 Y CB -0.507 37.643 38.460 -0.516 0.000 0.987 634 Y HN 0.017 nan 8.280 nan 0.000 0.502 635 V N -0.188 119.587 119.914 -0.232 0.000 2.343 635 V HA -0.324 3.790 4.120 -0.010 0.000 0.247 635 V C 2.332 178.310 176.094 -0.192 0.000 1.051 635 V CA 2.430 64.591 62.300 -0.231 0.000 1.036 635 V CB -1.170 30.670 31.823 0.027 0.000 0.654 635 V HN 0.499 nan 8.190 nan 0.000 0.451 636 T N -0.210 114.285 114.554 -0.097 0.000 2.720 636 T HA -0.183 4.161 4.350 -0.010 0.000 0.268 636 T C 2.137 176.785 174.700 -0.087 0.000 1.037 636 T CA 1.966 64.022 62.100 -0.073 0.000 1.144 636 T CB -0.235 68.667 68.868 0.056 0.000 0.864 636 T HN 0.532 nan 8.240 nan 0.000 0.444 637 S N 1.039 116.717 115.700 -0.037 0.000 2.368 637 S HA 0.005 4.469 4.470 -0.010 0.000 0.224 637 S C 2.113 176.634 174.600 -0.130 0.000 1.029 637 S CA 0.877 59.080 58.200 0.006 0.000 0.988 637 S CB -0.243 63.000 63.200 0.072 0.000 0.838 637 S HN 0.320 nan 8.310 nan 0.000 0.462 638 M N 0.854 120.283 119.600 -0.284 0.000 2.175 638 M HA 0.004 4.478 4.480 -0.010 0.000 0.264 638 M C 2.183 178.330 176.300 -0.254 0.000 1.063 638 M CA 0.980 56.096 55.300 -0.308 0.000 1.119 638 M CB -1.318 30.987 32.600 -0.492 0.000 1.377 638 M HN 0.174 nan 8.290 nan 0.000 0.415 639 V N 0.554 120.307 119.914 -0.267 0.000 2.307 639 V HA -0.214 3.900 4.120 -0.010 0.000 0.245 639 V C 2.435 178.346 176.094 -0.306 0.000 1.045 639 V CA 1.308 63.450 62.300 -0.262 0.000 1.024 639 V CB -0.505 31.100 31.823 -0.364 0.000 0.651 639 V HN 0.390 nan 8.190 nan 0.000 0.449 640 L N 0.296 121.273 121.223 -0.410 0.000 2.362 640 L HA -0.029 4.306 4.340 -0.010 0.000 0.219 640 L C 2.059 178.383 176.870 -0.910 0.000 1.134 640 L CA 1.293 55.791 54.840 -0.570 0.000 0.807 640 L CB -0.564 41.120 42.059 -0.625 0.000 0.927 640 L HN 0.476 nan 8.230 nan 0.000 0.447 641 G N -1.623 106.730 108.800 -0.745 0.000 3.393 641 G HA2 -0.020 3.935 3.960 -0.010 0.000 0.255 641 G HA3 -0.020 3.935 3.960 -0.010 0.000 0.255 641 G C 1.436 176.205 174.900 -0.218 0.000 1.097 641 G CA 0.541 45.318 45.100 -0.538 0.000 0.780 641 G HN 0.386 nan 8.290 nan 0.000 0.540 642 S N -0.600 114.981 115.700 -0.198 0.000 2.461 642 S HA 0.295 4.759 4.470 -0.010 0.000 0.228 642 S C 2.001 176.559 174.600 -0.070 0.000 1.005 642 S CA 1.171 59.310 58.200 -0.101 0.000 0.942 642 S CB -0.113 63.042 63.200 -0.075 0.000 0.776 642 S HN 1.383 nan 8.310 nan 0.000 0.514 643 G N 1.125 109.872 108.800 -0.089 0.000 2.157 643 G HA2 -0.337 3.617 3.960 -0.010 0.000 0.248 643 G HA3 -0.337 3.617 3.960 -0.010 0.000 0.248 643 G C 1.021 175.907 174.900 -0.023 0.000 0.979 643 G CA 0.941 46.010 45.100 -0.052 0.000 0.650 643 G HN 1.301 nan 8.290 nan 0.000 0.529 644 S N -0.333 115.363 115.700 -0.007 0.000 2.423 644 S HA 0.296 4.760 4.470 -0.010 0.000 0.231 644 S C 2.608 177.215 174.600 0.011 0.000 1.014 644 S CA 1.722 59.930 58.200 0.012 0.000 0.965 644 S CB -0.312 62.916 63.200 0.046 0.000 0.785 644 S HN 2.417 nan 8.310 nan 0.000 0.495 645 G N 0.207 109.022 108.800 0.025 0.000 2.189 645 G HA2 -0.313 3.641 3.960 -0.010 0.000 0.267 645 G HA3 -0.313 3.641 3.960 -0.010 0.000 0.267 645 G C 0.815 175.720 174.900 0.007 0.000 0.975 645 G CA 0.458 45.569 45.100 0.019 0.000 0.644 645 G HN 0.703 nan 8.290 nan 0.000 0.537 646 V N -0.476 119.433 119.914 -0.008 0.000 2.490 646 V HA 0.110 4.225 4.120 -0.010 0.000 0.250 646 V C 1.321 177.201 176.094 -0.357 0.000 1.061 646 V CA 1.739 63.909 62.300 -0.217 0.000 1.064 646 V CB -0.452 31.154 31.823 -0.361 0.000 0.670 646 V HN 0.342 nan 8.190 nan 0.000 0.461 647 F N -0.331 119.634 119.950 0.026 0.000 2.421 647 F HA 0.398 4.919 4.527 -0.009 0.000 0.337 647 F C 1.059 176.905 175.800 0.078 0.000 1.105 647 F CA -0.710 57.335 58.000 0.075 0.000 1.049 647 F CB 1.294 40.344 39.000 0.083 0.000 1.139 647 F HN -0.265 nan 8.300 nan 0.000 0.479 648 K N 1.485 122.045 120.400 0.266 0.000 2.186 648 K HA 0.101 4.415 4.320 -0.010 0.000 0.202 648 K C -0.151 176.576 176.600 0.211 0.000 1.052 648 K CA 0.874 57.280 56.287 0.198 0.000 0.965 648 K CB 0.237 32.853 32.500 0.193 0.000 0.746 648 K HN 0.801 nan 8.250 nan 0.000 0.457 649 c N -2.714 116.052 118.600 0.276 0.000 3.318 649 c HA 0.891 5.456 4.570 -0.010 0.000 0.322 649 c C -0.298 174.020 174.090 0.381 0.000 1.398 649 c CA -0.691 55.822 56.329 0.307 0.000 1.339 649 c CB 1.133 43.748 42.510 0.175 0.000 1.668 649 c HN 0.311 nan 8.230 nan 0.000 0.462 650 G N 0.217 109.296 108.800 0.465 0.000 2.732 650 G HA2 0.688 4.643 3.960 -0.010 0.000 0.296 650 G HA3 0.688 4.643 3.960 -0.010 0.000 0.296 650 G C -1.869 173.238 174.900 0.345 0.000 1.448 650 G CA -0.648 44.691 45.100 0.397 0.000 0.911 650 G HN 0.967 nan 8.290 nan 0.000 0.528 651 I N 0.977 121.721 120.570 0.290 0.000 2.436 651 I HA 0.632 4.797 4.170 -0.010 0.000 0.289 651 I C 0.210 176.431 176.117 0.173 0.000 1.010 651 I CA -0.964 60.384 61.300 0.080 0.000 1.098 651 I CB 2.253 40.293 38.000 0.067 0.000 1.266 651 I HN 0.627 nan 8.210 nan 0.000 0.434 652 A N 6.575 129.385 122.820 -0.018 0.000 2.311 652 A HA 0.751 5.065 4.320 -0.010 0.000 0.306 652 A C -0.780 176.700 177.584 -0.173 0.000 1.189 652 A CA -0.500 51.539 52.037 0.004 0.000 0.791 652 A CB 1.064 20.136 19.000 0.120 0.000 1.172 652 A HN 0.436 nan 8.150 nan 0.000 0.481 653 V N 2.013 121.771 119.914 -0.261 0.000 2.398 653 V HA 0.577 4.692 4.120 -0.010 0.000 0.286 653 V C 1.043 176.698 176.094 -0.731 0.000 1.026 653 V CA 0.296 62.212 62.300 -0.640 0.000 0.868 653 V CB 0.897 32.026 31.823 -1.157 0.000 0.982 653 V HN 2.090 nan 8.190 nan 0.000 0.443 654 A N 5.367 127.703 122.820 -0.807 0.000 2.511 654 A HA -0.110 4.205 4.320 -0.010 0.000 0.297 654 A C -1.684 175.710 177.584 -0.317 0.000 1.476 654 A CA 0.487 51.957 52.037 -0.946 0.000 0.757 654 A CB -1.596 17.017 19.000 -0.646 0.000 1.072 654 A HN 0.636 nan 8.150 nan 0.000 0.413 655 P HA 0.431 nan 4.420 nan 0.000 0.281 655 P C 0.138 177.400 177.300 -0.063 0.000 1.249 655 P CA -0.232 62.834 63.100 -0.058 0.000 0.810 655 P CB 1.377 33.074 31.700 -0.006 0.000 1.008 656 V N 2.198 121.982 119.914 -0.216 0.000 2.649 656 V HA 0.105 4.219 4.120 -0.010 0.000 0.292 656 V C 1.703 177.614 176.094 -0.304 0.000 1.055 656 V CA 0.810 62.836 62.300 -0.458 0.000 1.023 656 V CB 0.881 32.009 31.823 -1.159 0.000 0.992 656 V HN 0.832 nan 8.190 nan 0.000 0.480 657 S N 3.372 118.923 115.700 -0.248 0.000 2.554 657 S HA 0.264 4.728 4.470 -0.010 0.000 0.227 657 S C 0.407 174.861 174.600 -0.243 0.000 1.050 657 S CA -0.356 57.775 58.200 -0.114 0.000 0.927 657 S CB 0.333 63.530 63.200 -0.005 0.000 0.859 657 S HN 0.865 nan 8.310 nan 0.000 0.494 658 R N -1.231 118.995 120.500 -0.457 0.000 2.563 658 R HA 0.426 4.761 4.340 -0.010 0.000 0.262 658 R C -1.023 174.949 176.300 -0.548 0.000 1.128 658 R CA -0.867 54.907 56.100 -0.544 0.000 0.969 658 R CB -0.358 29.612 30.300 -0.551 0.000 1.251 658 R HN 0.121 nan 8.270 nan 0.000 0.442 659 W N 1.477 122.682 121.300 -0.158 0.000 2.424 659 W HA -0.030 4.626 4.660 -0.007 0.000 0.264 659 W C 1.046 177.693 176.519 0.213 0.000 1.229 659 W CA 0.804 58.157 57.345 0.013 0.000 1.208 659 W CB 0.205 29.607 29.460 -0.098 0.000 1.127 659 W HN 0.715 nan 8.180 nan 0.000 0.588 660 E N -1.043 119.312 120.200 0.259 0.000 2.418 660 E HA -0.168 4.177 4.350 -0.010 0.000 0.197 660 E C 1.123 177.856 176.600 0.221 0.000 1.026 660 E CA 0.685 57.183 56.400 0.163 0.000 0.862 660 E CB -0.165 29.519 29.700 -0.026 0.000 0.799 660 E HN 0.382 nan 8.360 nan 0.000 0.518 661 Y N -1.560 118.834 120.300 0.157 0.000 2.510 661 Y HA 0.079 4.624 4.550 -0.009 0.000 0.273 661 Y C 0.657 176.655 175.900 0.165 0.000 1.119 661 Y CA -0.375 57.788 58.100 0.103 0.000 1.286 661 Y CB -0.308 38.160 38.460 0.013 0.000 1.061 661 Y HN 0.008 nan 8.280 nan 0.000 0.542 662 Y N 2.136 122.599 120.300 0.272 0.000 2.334 662 Y HA 0.282 4.826 4.550 -0.010 0.000 0.325 662 Y C 0.265 176.403 175.900 0.397 0.000 1.308 662 Y CA -2.127 56.149 58.100 0.293 0.000 1.389 662 Y CB 0.351 39.029 38.460 0.364 0.000 1.328 662 Y HN 0.194 nan 8.280 nan 0.000 0.532 663 D N -0.292 119.771 120.400 -0.562 0.000 2.399 663 D HA 0.071 4.705 4.640 -0.010 0.000 0.241 663 D C 0.980 177.241 176.300 -0.064 0.000 1.133 663 D CA 0.426 54.211 54.000 -0.358 0.000 0.890 663 D CB 0.919 41.312 40.800 -0.679 0.000 1.201 663 D HN 0.493 nan 8.370 nan 0.000 0.432 664 S N 1.679 117.372 115.700 -0.013 0.000 2.353 664 S HA -0.250 4.215 4.470 -0.010 0.000 0.222 664 S C 1.935 176.550 174.600 0.025 0.000 1.035 664 S CA 1.257 59.495 58.200 0.063 0.000 1.025 664 S CB -1.057 62.189 63.200 0.078 0.000 0.902 664 S HN 0.437 nan 8.310 nan 0.000 0.440 665 V N 0.838 120.704 119.914 -0.080 0.000 2.324 665 V HA -0.202 3.912 4.120 -0.010 0.000 0.250 665 V C 2.299 178.284 176.094 -0.181 0.000 1.060 665 V CA 2.362 64.515 62.300 -0.246 0.000 1.042 665 V CB -1.102 30.423 31.823 -0.496 0.000 0.650 665 V HN 0.631 nan 8.190 nan 0.000 0.450 666 Y N 1.158 121.385 120.300 -0.122 0.000 2.153 666 Y HA -0.192 4.352 4.550 -0.009 0.000 0.289 666 Y C 2.758 178.644 175.900 -0.023 0.000 1.119 666 Y CA 2.255 60.357 58.100 0.004 0.000 1.116 666 Y CB -0.641 38.021 38.460 0.336 0.000 1.004 666 Y HN 0.200 nan 8.280 nan 0.000 0.501 667 T N 0.556 115.317 114.554 0.344 0.000 2.635 667 T HA -0.244 4.100 4.350 -0.010 0.000 0.267 667 T C 1.577 176.223 174.700 -0.090 0.000 1.040 667 T CA 2.097 64.305 62.100 0.180 0.000 1.156 667 T CB -0.409 68.725 68.868 0.444 0.000 0.863 667 T HN 0.440 nan 8.240 nan 0.000 0.430 668 E N 0.392 120.581 120.200 -0.018 0.000 2.204 668 E HA -0.119 4.225 4.350 -0.010 0.000 0.195 668 E C 2.346 178.811 176.600 -0.225 0.000 0.990 668 E CA 0.558 56.938 56.400 -0.033 0.000 0.821 668 E CB -0.137 29.593 29.700 0.050 0.000 0.750 668 E HN 0.332 nan 8.360 nan 0.000 0.477 669 R N -0.112 120.088 120.500 -0.500 0.000 2.127 669 R HA -0.181 4.153 4.340 -0.010 0.000 0.238 669 R C 1.159 176.874 176.300 -0.975 0.000 1.134 669 R CA 1.504 57.116 56.100 -0.814 0.000 0.975 669 R CB 0.054 29.570 30.300 -1.306 0.000 0.865 669 R HN 0.239 nan 8.270 nan 0.000 0.447 670 Y N -2.404 117.558 120.300 -0.563 0.000 2.535 670 Y HA 0.217 4.761 4.550 -0.010 0.000 0.266 670 Y C 1.725 177.436 175.900 -0.315 0.000 1.088 670 Y CA -0.006 57.769 58.100 -0.542 0.000 1.285 670 Y CB 0.346 38.358 38.460 -0.746 0.000 1.166 670 Y HN -0.061 nan 8.280 nan 0.000 0.525 671 M N -0.252 119.229 119.600 -0.198 0.000 2.414 671 M HA 0.352 4.826 4.480 -0.010 0.000 0.251 671 M C 1.110 177.424 176.300 0.023 0.000 1.116 671 M CA 0.857 56.050 55.300 -0.179 0.000 1.056 671 M CB -0.538 31.761 32.600 -0.503 0.000 1.388 671 M HN 0.363 nan 8.290 nan 0.000 0.487 672 G N 1.739 110.563 108.800 0.039 0.000 2.598 672 G HA2 -0.212 3.742 3.960 -0.010 0.000 0.244 672 G HA3 -0.212 3.742 3.960 -0.010 0.000 0.244 672 G C -0.796 174.228 174.900 0.206 0.000 1.302 672 G CA -0.817 44.343 45.100 0.100 0.000 0.903 672 G HN 0.244 nan 8.290 nan 0.000 0.575 673 L N 2.614 123.930 121.223 0.155 0.000 2.334 673 L HA 0.517 4.851 4.340 -0.010 0.000 0.277 673 L C -1.152 175.738 176.870 0.032 0.000 1.075 673 L CA -1.736 53.158 54.840 0.090 0.000 0.804 673 L CB 1.241 43.317 42.059 0.029 0.000 1.174 673 L HN 0.443 nan 8.230 nan 0.000 0.438 674 P HA 0.081 nan 4.420 nan 0.000 0.226 674 P C -0.580 176.580 177.300 -0.234 0.000 1.758 674 P CA -0.142 62.584 63.100 -0.622 0.000 0.896 674 P CB -0.392 30.626 31.700 -1.136 0.000 1.784 675 T N -3.780 110.723 114.554 -0.085 0.000 2.942 675 T HA 0.472 4.816 4.350 -0.010 0.000 0.289 675 T C -2.204 172.496 174.700 -0.001 0.000 1.044 675 T CA -2.439 59.637 62.100 -0.041 0.000 1.023 675 T CB 1.733 70.587 68.868 -0.024 0.000 1.123 675 T HN -0.312 nan 8.240 nan 0.000 0.512 676 P HA -0.070 nan 4.420 nan 0.000 0.215 676 P C 1.022 178.336 177.300 0.023 0.000 1.153 676 P CA 1.091 64.201 63.100 0.017 0.000 0.853 676 P CB 0.035 31.741 31.700 0.010 0.000 0.788 677 E N -1.243 118.966 120.200 0.016 0.000 2.268 677 E HA -0.120 4.224 4.350 -0.010 0.000 0.195 677 E C 1.475 178.092 176.600 0.027 0.000 0.995 677 E CA 0.922 57.332 56.400 0.018 0.000 0.836 677 E CB -0.512 29.194 29.700 0.009 0.000 0.763 677 E HN 0.333 nan 8.360 nan 0.000 0.491 678 D N -0.529 119.895 120.400 0.038 0.000 2.818 678 D HA 0.097 4.731 4.640 -0.010 0.000 0.250 678 D C 0.334 176.689 176.300 0.092 0.000 1.496 678 D CA 0.195 54.230 54.000 0.058 0.000 1.192 678 D CB 0.027 40.863 40.800 0.061 0.000 0.963 678 D HN 0.024 nan 8.370 nan 0.000 0.259 679 N N 0.024 118.814 118.700 0.150 0.000 2.377 679 N HA 0.046 4.780 4.740 -0.010 0.000 0.259 679 N C 1.226 176.941 175.510 0.341 0.000 1.332 679 N CA -0.118 53.069 53.050 0.227 0.000 0.877 679 N CB 0.880 39.519 38.487 0.253 0.000 1.299 679 N HN -0.014 nan 8.380 nan 0.000 0.501 680 L N 1.140 122.485 121.223 0.202 0.000 2.013 680 L HA -0.162 4.172 4.340 -0.010 0.000 0.212 680 L C 1.407 178.394 176.870 0.196 0.000 1.073 680 L CA 2.060 56.993 54.840 0.155 0.000 0.753 680 L CB -0.457 41.625 42.059 0.038 0.000 0.890 680 L HN 0.138 nan 8.230 nan 0.000 0.432 681 D N -1.393 119.100 120.400 0.154 0.000 2.116 681 D HA -0.267 4.367 4.640 -0.010 0.000 0.193 681 D C 2.148 178.549 176.300 0.168 0.000 0.998 681 D CA 1.818 55.898 54.000 0.133 0.000 0.836 681 D CB -0.205 40.659 40.800 0.108 0.000 0.951 681 D HN 0.593 nan 8.370 nan 0.000 0.449 682 H N -1.161 117.971 119.070 0.102 0.000 2.462 682 H HA -0.055 4.496 4.556 -0.009 0.000 0.292 682 H C 1.635 177.017 175.328 0.089 0.000 1.049 682 H CA 1.167 57.251 56.048 0.061 0.000 1.334 682 H CB -0.331 29.432 29.762 0.002 0.000 1.404 682 H HN 0.197 nan 8.280 nan 0.000 0.544 683 Y N 0.223 120.507 120.300 -0.027 0.000 2.207 683 Y HA -0.169 4.375 4.550 -0.010 0.000 0.287 683 Y C 2.246 178.104 175.900 -0.070 0.000 1.156 683 Y CA 1.468 59.548 58.100 -0.032 0.000 1.182 683 Y CB 0.184 38.659 38.460 0.026 0.000 0.979 683 Y HN 0.138 nan 8.280 nan 0.000 0.521 684 R N -0.600 119.967 120.500 0.112 0.000 2.161 684 R HA -0.016 4.318 4.340 -0.010 0.000 0.213 684 R C 1.427 177.724 176.300 -0.005 0.000 1.055 684 R CA 0.769 56.892 56.100 0.039 0.000 0.996 684 R CB -0.837 29.489 30.300 0.043 0.000 0.901 684 R HN 0.326 nan 8.270 nan 0.000 0.456 685 N N 0.492 119.179 118.700 -0.022 0.000 2.457 685 N HA -0.073 4.661 4.740 -0.010 0.000 0.180 685 N C 0.453 175.926 175.510 -0.061 0.000 1.050 685 N CA 0.871 53.912 53.050 -0.015 0.000 0.906 685 N CB 0.213 38.738 38.487 0.064 0.000 0.968 685 N HN 0.140 nan 8.380 nan 0.000 0.445 686 S N -1.298 114.312 115.700 -0.151 0.000 2.562 686 S HA 0.155 4.620 4.470 -0.010 0.000 0.246 686 S C 0.379 175.000 174.600 0.036 0.000 1.056 686 S CA -0.774 57.384 58.200 -0.071 0.000 1.042 686 S CB -0.575 62.515 63.200 -0.183 0.000 0.822 686 S HN 0.171 nan 8.310 nan 0.000 0.465 687 T N -1.806 112.739 114.554 -0.015 0.000 2.902 687 T HA 0.535 4.879 4.350 -0.010 0.000 0.280 687 T C 1.249 175.939 174.700 -0.017 0.000 0.992 687 T CA -0.622 61.459 62.100 -0.032 0.000 1.015 687 T CB 1.292 70.112 68.868 -0.080 0.000 1.044 687 T HN -0.031 nan 8.240 nan 0.000 0.520 688 V N 1.715 121.614 119.914 -0.025 0.000 2.488 688 V HA -0.103 4.011 4.120 -0.010 0.000 0.246 688 V C 2.696 178.745 176.094 -0.075 0.000 1.046 688 V CA 1.253 63.526 62.300 -0.045 0.000 1.053 688 V CB -0.789 31.002 31.823 -0.052 0.000 0.679 688 V HN 0.844 nan 8.190 nan 0.000 0.458 689 M N 1.307 120.852 119.600 -0.091 0.000 2.149 689 M HA -0.129 4.345 4.480 -0.010 0.000 0.261 689 M C 2.396 178.652 176.300 -0.073 0.000 1.064 689 M CA 2.252 57.486 55.300 -0.110 0.000 1.102 689 M CB -2.158 30.394 32.600 -0.080 0.000 1.369 689 M HN 0.567 nan 8.290 nan 0.000 0.408 690 S N 0.583 116.257 115.700 -0.043 0.000 2.469 690 S HA -0.077 4.387 4.470 -0.010 0.000 0.238 690 S C 1.829 176.426 174.600 -0.005 0.000 0.998 690 S CA 0.693 58.880 58.200 -0.022 0.000 0.957 690 S CB -0.472 62.718 63.200 -0.015 0.000 0.764 690 S HN 0.620 nan 8.310 nan 0.000 0.514 691 R N 0.285 120.791 120.500 0.010 0.000 2.393 691 R HA 0.449 4.783 4.340 -0.010 0.000 0.244 691 R C 2.218 178.606 176.300 0.147 0.000 0.920 691 R CA 0.425 56.564 56.100 0.065 0.000 1.076 691 R CB -0.215 30.132 30.300 0.078 0.000 1.119 691 R HN 0.487 nan 8.270 nan 0.000 0.524 692 A N 1.516 124.348 122.820 0.021 0.000 1.927 692 A HA -0.290 4.025 4.320 -0.010 0.000 0.220 692 A C 2.009 179.644 177.584 0.086 0.000 1.185 692 A CA 1.928 53.923 52.037 -0.069 0.000 0.639 692 A CB -0.278 18.618 19.000 -0.173 0.000 0.820 692 A HN 0.269 nan 8.150 nan 0.000 0.451 693 E N 0.483 120.723 120.200 0.067 0.000 2.160 693 E HA -0.181 4.163 4.350 -0.010 0.000 0.195 693 E C 1.540 178.201 176.600 0.101 0.000 0.991 693 E CA 1.750 58.191 56.400 0.069 0.000 0.810 693 E CB -0.520 29.205 29.700 0.040 0.000 0.742 693 E HN 0.796 nan 8.360 nan 0.000 0.466 694 N N -1.177 117.593 118.700 0.116 0.000 2.571 694 N HA -0.057 4.677 4.740 -0.010 0.000 0.189 694 N C 0.362 175.876 175.510 0.006 0.000 1.154 694 N CA -0.004 53.070 53.050 0.041 0.000 0.907 694 N CB -0.020 38.448 38.487 -0.033 0.000 0.977 694 N HN 0.140 nan 8.380 nan 0.000 0.449 695 F N 1.172 121.075 119.950 -0.077 0.000 2.780 695 F HA 0.129 4.652 4.527 -0.007 0.000 0.299 695 F C 1.847 177.646 175.800 -0.003 0.000 1.146 695 F CA 0.357 58.309 58.000 -0.081 0.000 1.428 695 F CB 0.105 39.002 39.000 -0.171 0.000 1.115 695 F HN -0.112 nan 8.300 nan 0.000 0.583 696 K N -0.133 120.365 120.400 0.163 0.000 2.211 696 K HA -0.175 4.139 4.320 -0.010 0.000 0.204 696 K C 1.505 178.165 176.600 0.099 0.000 1.047 696 K CA 0.963 57.325 56.287 0.125 0.000 0.935 696 K CB -0.102 32.452 32.500 0.089 0.000 0.728 696 K HN 0.257 nan 8.250 nan 0.000 0.452 697 Q N 0.201 120.040 119.800 0.065 0.000 2.403 697 Q HA 0.031 4.365 4.340 -0.010 0.000 0.203 697 Q C 0.640 176.677 176.000 0.062 0.000 0.932 697 Q CA 0.288 56.121 55.803 0.049 0.000 0.945 697 Q CB 0.346 29.096 28.738 0.020 0.000 1.045 697 Q HN 0.203 nan 8.270 nan 0.000 0.511 698 V N -3.105 116.860 119.914 0.085 0.000 3.141 698 V HA 0.543 4.657 4.120 -0.010 0.000 0.312 698 V C -0.795 175.434 176.094 0.226 0.000 1.157 698 V CA -1.259 61.115 62.300 0.123 0.000 1.041 698 V CB 2.399 34.249 31.823 0.044 0.000 1.071 698 V HN -0.055 nan 8.190 nan 0.000 0.441 699 E N 1.427 121.792 120.200 0.276 0.000 2.081 699 E HA 0.429 4.773 4.350 -0.010 0.000 0.276 699 E C -1.912 175.051 176.600 0.606 0.000 0.950 699 E CA -0.357 56.275 56.400 0.388 0.000 0.776 699 E CB 1.766 31.621 29.700 0.257 0.000 1.094 699 E HN 0.691 nan 8.360 nan 0.000 0.402 700 Y N 3.546 124.102 120.300 0.427 0.000 2.364 700 Y HA 0.415 4.959 4.550 -0.011 0.000 0.340 700 Y C -1.367 174.640 175.900 0.179 0.000 0.975 700 Y CA -1.133 57.167 58.100 0.334 0.000 1.089 700 Y CB 0.942 39.632 38.460 0.383 0.000 1.192 700 Y HN 0.427 nan 8.280 nan 0.000 0.454 701 L N 8.159 129.101 121.223 -0.470 0.000 2.343 701 L HA 0.472 4.807 4.340 -0.010 0.000 0.278 701 L C -1.671 174.747 176.870 -0.753 0.000 0.996 701 L CA -0.738 53.696 54.840 -0.677 0.000 0.831 701 L CB 1.091 42.432 42.059 -1.197 0.000 1.232 701 L HN 0.662 nan 8.230 nan 0.000 0.413 702 L N 6.313 127.196 121.223 -0.568 0.000 2.296 702 L HA 0.592 4.926 4.340 -0.010 0.000 0.286 702 L C -0.867 175.874 176.870 -0.215 0.000 1.023 702 L CA -0.506 54.052 54.840 -0.469 0.000 0.812 702 L CB 1.702 43.581 42.059 -0.300 0.000 1.223 702 L HN 0.606 nan 8.230 nan 0.000 0.421 703 I N 3.923 124.374 120.570 -0.197 0.000 2.582 703 I HA 0.481 4.645 4.170 -0.010 0.000 0.292 703 I C -1.018 175.070 176.117 -0.047 0.000 1.066 703 I CA -0.738 60.501 61.300 -0.102 0.000 1.053 703 I CB 2.125 40.030 38.000 -0.158 0.000 1.241 703 I HN 0.521 nan 8.210 nan 0.000 0.421 704 H N 2.856 121.964 119.070 0.065 0.000 3.123 704 H HA 0.346 4.897 4.556 -0.008 0.000 0.346 704 H C -0.744 174.818 175.328 0.390 0.000 1.138 704 H CA -0.605 55.523 56.048 0.134 0.000 1.273 704 H CB 2.395 32.149 29.762 -0.014 0.000 1.926 704 H HN 0.764 nan 8.280 nan 0.000 0.524 705 G N 1.365 110.528 108.800 0.604 0.000 2.380 705 G HA2 0.204 4.158 3.960 -0.010 0.000 0.262 705 G HA3 0.204 4.158 3.960 -0.010 0.000 0.262 705 G C 1.171 176.376 174.900 0.508 0.000 1.243 705 G CA 0.252 45.665 45.100 0.522 0.000 0.865 705 G HN 0.663 nan 8.290 nan 0.000 0.513 706 T N -0.410 114.316 114.554 0.287 0.000 2.929 706 T HA 0.017 4.361 4.350 -0.010 0.000 0.271 706 T C 1.701 176.400 174.700 -0.002 0.000 1.085 706 T CA 1.354 63.419 62.100 -0.058 0.000 1.125 706 T CB 0.116 68.870 68.868 -0.190 0.000 0.874 706 T HN 0.706 nan 8.240 nan 0.000 0.494 707 A N 0.977 123.878 122.820 0.135 0.000 2.708 707 A HA 0.313 4.627 4.320 -0.010 0.000 0.293 707 A C 0.368 177.939 177.584 -0.021 0.000 1.303 707 A CA -0.524 51.564 52.037 0.086 0.000 0.949 707 A CB -0.277 19.023 19.000 0.500 0.000 1.121 707 A HN 0.385 nan 8.150 nan 0.000 0.542 708 D N 1.517 121.927 120.400 0.017 0.000 2.346 708 D HA -0.000 4.634 4.640 -0.010 0.000 0.260 708 D C 0.292 176.582 176.300 -0.018 0.000 1.252 708 D CA 0.127 54.237 54.000 0.182 0.000 0.895 708 D CB 0.730 41.800 40.800 0.449 0.000 1.097 708 D HN 0.562 nan 8.370 nan 0.000 0.489 709 D N 2.297 122.743 120.400 0.078 0.000 2.349 709 D HA -0.124 4.510 4.640 -0.010 0.000 0.215 709 D C 0.918 177.239 176.300 0.035 0.000 1.016 709 D CA -0.074 53.922 54.000 -0.007 0.000 0.870 709 D CB 0.432 41.187 40.800 -0.075 0.000 0.917 709 D HN 0.216 nan 8.370 nan 0.000 0.524 710 N N 0.752 119.580 118.700 0.212 0.000 2.418 710 N HA -0.050 4.684 4.740 -0.010 0.000 0.199 710 N C -0.085 175.467 175.510 0.069 0.000 1.044 710 N CA 0.541 53.761 53.050 0.284 0.000 0.943 710 N CB 0.338 38.975 38.487 0.250 0.000 1.154 710 N HN -0.116 nan 8.380 nan 0.000 0.467 711 V N 3.041 123.026 119.914 0.119 0.000 2.288 711 V HA 0.226 4.340 4.120 -0.010 0.000 0.266 711 V C -0.582 175.618 176.094 0.176 0.000 1.048 711 V CA -0.497 61.880 62.300 0.127 0.000 0.842 711 V CB -0.469 31.482 31.823 0.214 0.000 1.064 711 V HN 0.312 nan 8.190 nan 0.000 0.472 712 H N 3.263 122.336 119.070 0.005 0.000 2.972 712 H HA -0.039 4.511 4.556 -0.010 0.000 0.343 712 H C 0.855 176.031 175.328 -0.254 0.000 1.054 712 H CA -0.006 55.948 56.048 -0.157 0.000 1.412 712 H CB 0.723 30.313 29.762 -0.286 0.000 1.385 712 H HN 0.613 nan 8.280 nan 0.000 0.600 713 F N 2.151 121.879 119.950 -0.370 0.000 2.147 713 F HA -0.341 4.179 4.527 -0.012 0.000 0.301 713 F C 2.630 178.163 175.800 -0.444 0.000 1.084 713 F CA 1.980 59.579 58.000 -0.669 0.000 1.268 713 F CB -0.217 38.570 39.000 -0.354 0.000 1.009 713 F HN 0.687 nan 8.300 nan 0.000 0.486 714 Q N 0.159 119.859 119.800 -0.166 0.000 2.182 714 Q HA -0.345 3.989 4.340 -0.010 0.000 0.213 714 Q C 2.096 177.881 176.000 -0.359 0.000 1.000 714 Q CA 2.491 58.137 55.803 -0.261 0.000 0.889 714 Q CB -0.414 28.123 28.738 -0.335 0.000 0.932 714 Q HN 0.610 nan 8.270 nan 0.000 0.415 715 Q N -0.377 119.245 119.800 -0.295 0.000 2.096 715 Q HA -0.136 4.198 4.340 -0.010 0.000 0.204 715 Q C 2.281 178.198 176.000 -0.140 0.000 0.982 715 Q CA 1.747 57.484 55.803 -0.109 0.000 0.850 715 Q CB -0.144 28.605 28.738 0.018 0.000 0.901 715 Q HN 0.334 nan 8.270 nan 0.000 0.422 716 S N 0.482 116.003 115.700 -0.298 0.000 2.406 716 S HA -0.007 4.457 4.470 -0.010 0.000 0.228 716 S C 2.013 176.408 174.600 -0.341 0.000 1.020 716 S CA 0.691 58.718 58.200 -0.288 0.000 0.965 716 S CB -0.078 62.906 63.200 -0.360 0.000 0.798 716 S HN 0.470 nan 8.310 nan 0.000 0.488 717 A N 1.316 123.863 122.820 -0.455 0.000 1.933 717 A HA -0.135 4.179 4.320 -0.010 0.000 0.218 717 A C 2.121 179.631 177.584 -0.122 0.000 1.175 717 A CA 1.162 53.052 52.037 -0.245 0.000 0.628 717 A CB -0.395 18.519 19.000 -0.142 0.000 0.814 717 A HN 0.369 nan 8.150 nan 0.000 0.444 718 Q N -0.463 119.269 119.800 -0.112 0.000 2.187 718 Q HA 0.012 4.346 4.340 -0.010 0.000 0.199 718 Q C 2.132 178.087 176.000 -0.074 0.000 0.957 718 Q CA 0.934 56.714 55.803 -0.040 0.000 0.857 718 Q CB -0.325 28.458 28.738 0.074 0.000 0.929 718 Q HN 0.779 nan 8.270 nan 0.000 0.453 719 I N 1.224 121.728 120.570 -0.110 0.000 2.142 719 I HA -0.294 3.871 4.170 -0.010 0.000 0.240 719 I C 2.527 178.486 176.117 -0.264 0.000 1.078 719 I CA 1.574 62.761 61.300 -0.189 0.000 1.343 719 I CB -0.492 37.414 38.000 -0.158 0.000 1.046 719 I HN 0.190 nan 8.210 nan 0.000 0.405 720 S N 0.786 116.378 115.700 -0.181 0.000 2.382 720 S HA -0.275 4.189 4.470 -0.010 0.000 0.228 720 S C 2.014 176.603 174.600 -0.017 0.000 1.027 720 S CA 1.463 59.604 58.200 -0.098 0.000 0.991 720 S CB -0.441 62.872 63.200 0.188 0.000 0.823 720 S HN 0.373 nan 8.310 nan 0.000 0.469 721 K N 1.625 122.009 120.400 -0.026 0.000 2.097 721 K HA 0.089 4.403 4.320 -0.010 0.000 0.205 721 K C 2.260 178.838 176.600 -0.037 0.000 1.050 721 K CA 1.064 57.348 56.287 -0.005 0.000 0.938 721 K CB -0.605 31.890 32.500 -0.007 0.000 0.718 721 K HN 0.455 nan 8.250 nan 0.000 0.442 722 A N 0.841 123.604 122.820 -0.095 0.000 1.930 722 A HA -0.064 4.251 4.320 -0.010 0.000 0.217 722 A C 2.038 179.535 177.584 -0.145 0.000 1.175 722 A CA 1.057 53.026 52.037 -0.113 0.000 0.627 722 A CB -0.484 18.428 19.000 -0.146 0.000 0.815 722 A HN 0.289 nan 8.150 nan 0.000 0.443 723 L N -0.642 120.435 121.223 -0.243 0.000 2.056 723 L HA -0.135 4.199 4.340 -0.010 0.000 0.207 723 L C 2.516 179.377 176.870 -0.015 0.000 1.078 723 L CA 0.946 55.632 54.840 -0.256 0.000 0.749 723 L CB -0.579 41.099 42.059 -0.635 0.000 0.901 723 L HN 0.232 nan 8.230 nan 0.000 0.433 724 V N -0.221 119.736 119.914 0.072 0.000 2.295 724 V HA -0.285 3.830 4.120 -0.010 0.000 0.246 724 V C 1.965 178.096 176.094 0.061 0.000 1.049 724 V CA 1.875 64.252 62.300 0.129 0.000 1.024 724 V CB -0.520 31.385 31.823 0.136 0.000 0.648 724 V HN 0.431 nan 8.190 nan 0.000 0.447 725 D N -0.563 119.852 120.400 0.026 0.000 2.309 725 D HA -0.094 4.540 4.640 -0.010 0.000 0.212 725 D C 1.767 178.075 176.300 0.013 0.000 0.968 725 D CA 0.877 54.887 54.000 0.016 0.000 0.882 725 D CB 0.165 40.967 40.800 0.002 0.000 0.918 725 D HN 0.352 nan 8.370 nan 0.000 0.503 726 V N -0.570 119.349 119.914 0.009 0.000 3.660 726 V HA 0.207 4.321 4.120 -0.010 0.000 0.276 726 V C 1.145 177.261 176.094 0.036 0.000 1.317 726 V CA 0.848 63.156 62.300 0.014 0.000 1.097 726 V CB 0.218 32.038 31.823 -0.006 0.000 0.863 726 V HN 0.344 nan 8.190 nan 0.000 0.438 727 G N 0.735 109.567 108.800 0.053 0.000 2.212 727 G HA2 -0.183 3.772 3.960 -0.010 0.000 0.255 727 G HA3 -0.183 3.772 3.960 -0.010 0.000 0.255 727 G C -0.075 174.883 174.900 0.097 0.000 1.062 727 G CA 0.300 45.442 45.100 0.071 0.000 0.815 727 G HN 0.458 nan 8.290 nan 0.000 0.497 728 V N 0.412 120.402 119.914 0.126 0.000 2.398 728 V HA 0.493 4.607 4.120 -0.010 0.000 0.286 728 V C 0.300 176.581 176.094 0.312 0.000 1.026 728 V CA -0.579 61.826 62.300 0.175 0.000 0.868 728 V CB 1.803 33.703 31.823 0.128 0.000 0.982 728 V HN 0.433 nan 8.190 nan 0.000 0.443 729 D N 4.015 124.579 120.400 0.275 0.000 2.304 729 D HA 0.613 5.247 4.640 -0.010 0.000 0.247 729 D C -0.627 175.943 176.300 0.449 0.000 1.089 729 D CA 0.246 54.410 54.000 0.274 0.000 0.910 729 D CB 0.792 41.680 40.800 0.146 0.000 1.199 729 D HN 0.346 nan 8.370 nan 0.000 0.426 730 F N -0.305 119.728 119.950 0.137 0.000 2.817 730 F HA 0.452 4.973 4.527 -0.010 0.000 0.317 730 F C -1.606 174.264 175.800 0.116 0.000 1.168 730 F CA -1.161 56.949 58.000 0.182 0.000 0.911 730 F CB 0.655 39.808 39.000 0.255 0.000 1.337 730 F HN 0.066 nan 8.300 nan 0.000 0.464 731 Q N 1.374 121.261 119.800 0.145 0.000 2.235 731 Q HA 0.831 5.165 4.340 -0.010 0.000 0.256 731 Q C -0.763 175.213 176.000 -0.040 0.000 0.951 731 Q CA -0.666 55.124 55.803 -0.021 0.000 0.890 731 Q CB 2.014 30.782 28.738 0.051 0.000 1.279 731 Q HN 1.061 nan 8.270 nan 0.000 0.444 732 A N 1.755 124.517 122.820 -0.095 0.000 2.556 732 A HA 0.876 5.191 4.320 -0.010 0.000 0.294 732 A C -1.317 176.196 177.584 -0.119 0.000 1.091 732 A CA -0.581 51.428 52.037 -0.046 0.000 0.704 732 A CB 1.964 20.982 19.000 0.030 0.000 1.300 732 A HN 0.617 nan 8.150 nan 0.000 0.406 733 M N 1.190 120.706 119.600 -0.139 0.000 2.296 733 M HA 0.549 5.024 4.480 -0.010 0.000 0.268 733 M C -2.098 174.053 176.300 -0.248 0.000 1.048 733 M CA -0.511 54.555 55.300 -0.391 0.000 0.966 733 M CB 1.023 33.295 32.600 -0.546 0.000 1.912 733 M HN 1.003 nan 8.290 nan 0.000 0.484 734 W N 4.283 125.424 121.300 -0.265 0.000 2.578 734 W HA 0.802 5.457 4.660 -0.009 0.000 0.353 734 W C -2.018 174.250 176.519 -0.418 0.000 1.088 734 W CA -0.868 56.422 57.345 -0.092 0.000 1.235 734 W CB 0.477 29.954 29.460 0.030 0.000 1.362 734 W HN 0.612 nan 8.180 nan 0.000 0.592 735 Y N 2.292 122.749 120.300 0.261 0.000 2.447 735 Y HA 0.277 4.823 4.550 -0.006 0.000 0.325 735 Y C 0.782 176.818 175.900 0.228 0.000 0.976 735 Y CA -1.136 57.029 58.100 0.108 0.000 1.280 735 Y CB 1.301 39.792 38.460 0.052 0.000 1.104 735 Y HN 0.636 nan 8.280 nan 0.000 0.486 736 T N 2.012 116.769 114.554 0.339 0.000 2.871 736 T HA 0.052 4.397 4.350 -0.010 0.000 0.296 736 T C 0.529 175.323 174.700 0.158 0.000 0.998 736 T CA 0.523 62.751 62.100 0.214 0.000 1.162 736 T CB 0.103 69.016 68.868 0.075 0.000 0.947 736 T HN 0.797 nan 8.240 nan 0.000 0.536 737 D N 1.108 121.590 120.400 0.136 0.000 3.046 737 D HA -0.114 4.521 4.640 -0.010 0.000 0.210 737 D C -0.023 176.451 176.300 0.290 0.000 1.124 737 D CA 1.158 55.201 54.000 0.072 0.000 0.986 737 D CB -0.650 39.988 40.800 -0.270 0.000 1.118 737 D HN 0.700 nan 8.370 nan 0.000 0.416 738 E N 0.935 121.308 120.200 0.287 0.000 2.313 738 E HA 0.331 4.675 4.350 -0.010 0.000 0.272 738 E C 0.721 177.520 176.600 0.331 0.000 1.038 738 E CA -0.280 56.299 56.400 0.298 0.000 0.863 738 E CB 1.255 31.115 29.700 0.266 0.000 1.060 738 E HN 0.339 nan 8.360 nan 0.000 0.402 739 D N -0.364 120.238 120.400 0.336 0.000 2.511 739 D HA -0.011 4.624 4.640 -0.010 0.000 0.283 739 D C 1.100 177.636 176.300 0.393 0.000 1.198 739 D CA -0.162 54.058 54.000 0.368 0.000 1.097 739 D CB -0.188 40.852 40.800 0.400 0.000 1.160 739 D HN 0.435 nan 8.370 nan 0.000 0.589 740 H N -1.633 117.640 119.070 0.337 0.000 2.457 740 H HA 0.067 4.617 4.556 -0.010 0.000 0.297 740 H C 1.880 177.476 175.328 0.446 0.000 1.092 740 H CA 2.186 58.462 56.048 0.379 0.000 1.309 740 H CB -0.344 29.625 29.762 0.345 0.000 1.382 740 H HN 0.482 nan 8.280 nan 0.000 0.535 741 G N -0.427 108.552 108.800 0.298 0.000 2.683 741 G HA2 0.017 3.971 3.960 -0.010 0.000 0.213 741 G HA3 0.017 3.971 3.960 -0.010 0.000 0.213 741 G C 0.661 175.721 174.900 0.267 0.000 1.142 741 G CA 0.277 45.474 45.100 0.162 0.000 0.793 741 G HN 0.510 nan 8.290 nan 0.000 0.534 742 I N 0.134 120.885 120.570 0.302 0.000 5.115 742 I HA -0.330 3.835 4.170 -0.010 0.000 0.126 742 I C 1.563 177.797 176.117 0.196 0.000 1.316 742 I CA 0.154 61.583 61.300 0.215 0.000 2.641 742 I CB -1.105 37.004 38.000 0.181 0.000 2.272 742 I HN 0.263 nan 8.210 nan 0.000 0.321 743 A N 0.999 123.914 122.820 0.159 0.000 2.390 743 A HA 0.279 4.594 4.320 -0.010 0.000 0.232 743 A C 1.214 178.847 177.584 0.082 0.000 1.233 743 A CA 0.548 52.648 52.037 0.105 0.000 0.907 743 A CB 0.135 19.159 19.000 0.039 0.000 0.967 743 A HN 0.641 nan 8.150 nan 0.000 0.512 744 S N -0.309 115.454 115.700 0.105 0.000 2.566 744 S HA 0.092 4.556 4.470 -0.010 0.000 0.280 744 S C 1.246 175.900 174.600 0.090 0.000 1.343 744 S CA 0.381 58.635 58.200 0.091 0.000 1.036 744 S CB 0.887 64.149 63.200 0.102 0.000 0.866 744 S HN 0.513 nan 8.310 nan 0.000 0.526 745 S N 1.750 117.490 115.700 0.066 0.000 2.365 745 S HA -0.190 4.275 4.470 -0.010 0.000 0.225 745 S C 2.087 176.745 174.600 0.097 0.000 1.039 745 S CA 2.264 60.504 58.200 0.066 0.000 1.033 745 S CB -1.572 61.649 63.200 0.036 0.000 0.887 745 S HN 1.046 nan 8.310 nan 0.000 0.447 746 T N -0.316 114.289 114.554 0.084 0.000 2.812 746 T HA 0.200 4.544 4.350 -0.010 0.000 0.264 746 T C 2.000 176.763 174.700 0.105 0.000 1.042 746 T CA 1.243 63.396 62.100 0.089 0.000 1.140 746 T CB -0.931 67.981 68.868 0.075 0.000 0.870 746 T HN 0.450 nan 8.240 nan 0.000 0.445 747 A N 1.447 124.312 122.820 0.075 0.000 1.930 747 A HA -0.080 4.234 4.320 -0.010 0.000 0.217 747 A C 2.207 179.763 177.584 -0.046 0.000 1.175 747 A CA 1.985 54.007 52.037 -0.025 0.000 0.627 747 A CB -1.225 17.727 19.000 -0.080 0.000 0.815 747 A HN 0.764 nan 8.150 nan 0.000 0.443 748 H N -0.191 118.875 119.070 -0.008 0.000 2.353 748 H HA -0.120 4.431 4.556 -0.010 0.000 0.300 748 H C 2.062 177.468 175.328 0.130 0.000 1.090 748 H CA 2.314 58.408 56.048 0.078 0.000 1.327 748 H CB -0.179 29.623 29.762 0.068 0.000 1.383 748 H HN 0.567 nan 8.280 nan 0.000 0.508 749 Q N -1.187 118.608 119.800 -0.008 0.000 2.172 749 Q HA -0.146 4.188 4.340 -0.010 0.000 0.200 749 Q C 2.080 178.067 176.000 -0.021 0.000 0.964 749 Q CA 1.093 56.854 55.803 -0.070 0.000 0.855 749 Q CB -0.047 28.689 28.738 -0.003 0.000 0.918 749 Q HN 0.619 nan 8.270 nan 0.000 0.444 750 H N 0.753 119.800 119.070 -0.038 0.000 2.333 750 H HA -0.035 4.515 4.556 -0.009 0.000 0.302 750 H C 2.007 177.340 175.328 0.009 0.000 1.075 750 H CA 1.155 57.215 56.048 0.020 0.000 1.348 750 H CB -0.000 29.821 29.762 0.098 0.000 1.393 750 H HN 0.263 nan 8.280 nan 0.000 0.509 751 I N 0.192 120.771 120.570 0.015 0.000 2.179 751 I HA -0.340 3.825 4.170 -0.010 0.000 0.242 751 I C 1.827 177.749 176.117 -0.324 0.000 1.088 751 I CA 1.334 62.552 61.300 -0.138 0.000 1.357 751 I CB -0.284 37.427 38.000 -0.483 0.000 1.051 751 I HN 0.144 nan 8.210 nan 0.000 0.409 752 Y N 0.823 120.930 120.300 -0.322 0.000 2.293 752 Y HA -0.208 4.337 4.550 -0.008 0.000 0.291 752 Y C 2.714 178.431 175.900 -0.305 0.000 1.137 752 Y CA 1.831 59.628 58.100 -0.505 0.000 1.202 752 Y CB -0.782 37.364 38.460 -0.523 0.000 0.990 752 Y HN 0.159 nan 8.280 nan 0.000 0.537 753 T N -1.818 112.681 114.554 -0.091 0.000 2.812 753 T HA -0.198 4.146 4.350 -0.010 0.000 0.264 753 T C 1.545 176.177 174.700 -0.112 0.000 1.042 753 T CA 1.693 63.712 62.100 -0.135 0.000 1.140 753 T CB -0.372 68.402 68.868 -0.158 0.000 0.870 753 T HN 0.409 nan 8.240 nan 0.000 0.445 754 H N 0.821 119.808 119.070 -0.138 0.000 2.353 754 H HA 0.116 4.667 4.556 -0.010 0.000 0.300 754 H C 2.151 177.498 175.328 0.032 0.000 1.090 754 H CA 1.568 57.605 56.048 -0.017 0.000 1.327 754 H CB -0.195 29.556 29.762 -0.018 0.000 1.383 754 H HN 0.250 nan 8.280 nan 0.000 0.508 755 M N -0.910 118.670 119.600 -0.033 0.000 2.175 755 M HA -0.146 4.329 4.480 -0.010 0.000 0.264 755 M C 2.405 178.863 176.300 0.264 0.000 1.063 755 M CA 1.359 56.642 55.300 -0.028 0.000 1.119 755 M CB 0.104 32.438 32.600 -0.443 0.000 1.377 755 M HN 0.191 nan 8.290 nan 0.000 0.415 756 S N -0.626 115.255 115.700 0.301 0.000 2.356 756 S HA -0.162 4.303 4.470 -0.010 0.000 0.223 756 S C 1.723 176.440 174.600 0.196 0.000 1.032 756 S CA 1.040 59.490 58.200 0.416 0.000 1.005 756 S CB -0.576 62.841 63.200 0.362 0.000 0.867 756 S HN 0.460 nan 8.310 nan 0.000 0.449 757 H N -0.103 119.041 119.070 0.123 0.000 2.352 757 H HA -0.068 4.482 4.556 -0.009 0.000 0.299 757 H C 1.964 177.303 175.328 0.018 0.000 1.097 757 H CA 1.377 57.445 56.048 0.033 0.000 1.311 757 H CB -0.730 28.997 29.762 -0.059 0.000 1.377 757 H HN 0.439 nan 8.280 nan 0.000 0.504 758 F N 1.090 121.044 119.950 0.007 0.000 2.134 758 F HA -0.183 4.338 4.527 -0.010 0.000 0.299 758 F C 2.280 178.039 175.800 -0.069 0.000 1.097 758 F CA 0.890 58.858 58.000 -0.052 0.000 1.264 758 F CB -0.220 38.734 39.000 -0.076 0.000 1.001 758 F HN -0.025 nan 8.300 nan 0.000 0.479 759 I N 0.471 121.064 120.570 0.038 0.000 2.252 759 I HA -0.236 3.928 4.170 -0.010 0.000 0.245 759 I C 2.275 178.235 176.117 -0.262 0.000 1.102 759 I CA 1.229 62.391 61.300 -0.230 0.000 1.385 759 I CB -1.267 36.680 38.000 -0.089 0.000 1.064 759 I HN 0.149 nan 8.210 nan 0.000 0.414 760 K N 0.651 121.028 120.400 -0.039 0.000 2.009 760 K HA -0.244 4.070 4.320 -0.010 0.000 0.210 760 K C 1.973 178.562 176.600 -0.019 0.000 1.049 760 K CA 1.412 57.719 56.287 0.033 0.000 0.929 760 K CB -0.635 31.929 32.500 0.106 0.000 0.714 760 K HN 0.452 nan 8.250 nan 0.000 0.440 761 Q N 1.287 121.040 119.800 -0.079 0.000 2.061 761 Q HA -0.225 4.109 4.340 -0.010 0.000 0.204 761 Q C 2.363 178.257 176.000 -0.177 0.000 0.984 761 Q CA 2.102 57.833 55.803 -0.120 0.000 0.846 761 Q CB -0.637 28.005 28.738 -0.160 0.000 0.902 761 Q HN 0.402 nan 8.270 nan 0.000 0.421 762 c N 0.130 118.511 118.600 -0.366 0.000 2.413 762 c HA -0.117 4.447 4.570 -0.010 0.000 0.277 762 c C 2.309 176.365 174.090 -0.057 0.000 1.265 762 c CA 0.633 56.748 56.329 -0.356 0.000 1.752 762 c CB -1.376 40.743 42.510 -0.652 0.000 1.998 762 c HN 0.614 nan 8.230 nan 0.000 0.489 763 F N 1.170 121.085 119.950 -0.059 0.000 2.776 763 F HA 0.322 4.844 4.527 -0.008 0.000 0.300 763 F C 1.479 177.268 175.800 -0.020 0.000 1.116 763 F CA -0.010 57.977 58.000 -0.023 0.000 1.375 763 F CB -0.756 38.240 39.000 -0.006 0.000 1.109 763 F HN 0.131 nan 8.300 nan 0.000 0.585 764 S N 0.000 115.785 115.700 0.142 0.000 2.498 764 S HA 0.000 4.464 4.470 -0.010 0.000 0.327 764 S CA 0.000 58.249 58.200 0.082 0.000 1.107 764 S CB 0.000 63.239 63.200 0.065 0.000 0.593 764 S HN 0.000 nan 8.310 nan 0.000 0.517