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 3h0c_1_A DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.636 174.600 0.060 0.000 1.055 39 S CA 0.000 58.229 58.200 0.048 0.000 1.107 39 S CB 0.000 63.216 63.200 0.026 0.000 0.593 40 R N 2.922 123.469 120.500 0.080 0.000 3.006 40 R HA 0.595 4.934 4.340 -0.002 0.000 0.235 40 R C -0.279 176.075 176.300 0.090 0.000 1.362 40 R CA -1.048 55.099 56.100 0.079 0.000 1.067 40 R CB 0.390 30.737 30.300 0.078 0.000 1.396 40 R HN 0.597 nan 8.270 nan 0.000 0.504 41 K N 0.371 120.828 120.400 0.095 0.000 2.219 41 K HA 0.111 4.429 4.320 -0.002 0.000 0.258 41 K C -0.290 176.383 176.600 0.122 0.000 1.008 41 K CA -0.371 55.980 56.287 0.107 0.000 0.928 41 K CB 0.813 33.383 32.500 0.116 0.000 0.983 41 K HN 0.555 nan 8.250 nan 0.000 0.484 42 T N 0.522 115.155 114.554 0.132 0.000 2.912 42 T HA 0.145 4.494 4.350 -0.002 0.000 0.280 42 T C -1.233 173.592 174.700 0.208 0.000 0.989 42 T CA -0.732 61.462 62.100 0.156 0.000 0.995 42 T CB 0.374 69.329 68.868 0.144 0.000 1.077 42 T HN 0.503 nan 8.240 nan 0.000 0.531 43 Y N 3.398 123.760 120.300 0.103 0.000 2.585 43 Y HA 0.313 4.862 4.550 -0.002 0.000 0.354 43 Y C 0.856 176.905 175.900 0.249 0.000 1.024 43 Y CA -0.423 57.764 58.100 0.146 0.000 1.321 43 Y CB -0.319 38.186 38.460 0.074 0.000 1.151 43 Y HN 0.740 nan 8.280 nan 0.000 0.525 44 T N 3.749 118.289 114.554 -0.023 0.000 2.816 44 T HA 0.076 4.424 4.350 -0.002 0.000 0.282 44 T C 1.120 175.725 174.700 -0.159 0.000 0.993 44 T CA -0.800 61.325 62.100 0.041 0.000 0.994 44 T CB 1.203 70.069 68.868 -0.004 0.000 1.025 44 T HN 0.676 nan 8.240 nan 0.000 0.529 45 L N 1.225 122.190 121.223 -0.429 0.000 2.046 45 L HA -0.051 4.288 4.340 -0.002 0.000 0.208 45 L C 2.546 179.244 176.870 -0.287 0.000 1.077 45 L CA 2.062 56.472 54.840 -0.718 0.000 0.747 45 L CB -1.637 39.856 42.059 -0.944 0.000 0.896 45 L HN 0.917 nan 8.230 nan 0.000 0.432 46 T N -0.529 113.898 114.554 -0.212 0.000 2.759 46 T HA -0.170 4.178 4.350 -0.002 0.000 0.269 46 T C 1.489 176.094 174.700 -0.159 0.000 1.042 46 T CA 1.456 63.466 62.100 -0.150 0.000 1.140 46 T CB -0.405 68.402 68.868 -0.102 0.000 0.864 46 T HN 0.408 nan 8.240 nan 0.000 0.455 47 D N 0.188 120.458 120.400 -0.216 0.000 2.084 47 D HA -0.092 4.547 4.640 -0.002 0.000 0.194 47 D C 1.777 177.978 176.300 -0.165 0.000 0.990 47 D CA 1.071 54.912 54.000 -0.264 0.000 0.826 47 D CB -0.523 39.977 40.800 -0.501 0.000 0.971 47 D HN 0.403 nan 8.370 nan 0.000 0.453 48 Y N 1.358 121.486 120.300 -0.287 0.000 2.097 48 Y HA -0.220 4.328 4.550 -0.002 0.000 0.282 48 Y C 2.079 177.981 175.900 0.003 0.000 1.152 48 Y CA 1.222 59.336 58.100 0.024 0.000 1.136 48 Y CB -0.604 37.930 38.460 0.123 0.000 0.975 48 Y HN -0.121 nan 8.280 nan 0.000 0.498 49 L N 0.497 121.517 121.223 -0.337 0.000 2.056 49 L HA -0.141 4.198 4.340 -0.002 0.000 0.207 49 L C 2.108 178.853 176.870 -0.208 0.000 1.078 49 L CA 1.745 56.346 54.840 -0.399 0.000 0.749 49 L CB -0.955 40.945 42.059 -0.265 0.000 0.901 49 L HN 0.114 nan 8.230 nan 0.000 0.433 50 K N -0.657 119.656 120.400 -0.145 0.000 2.426 50 K HA 0.083 4.402 4.320 -0.002 0.000 0.193 50 K C 0.425 176.978 176.600 -0.080 0.000 1.028 50 K CA -0.068 56.161 56.287 -0.096 0.000 1.047 50 K CB -0.238 32.209 32.500 -0.088 0.000 0.821 50 K HN 0.267 nan 8.250 nan 0.000 0.513 51 N N 1.034 119.693 118.700 -0.070 0.000 2.780 51 N HA -0.146 4.592 4.740 -0.002 0.000 0.248 51 N C 0.230 175.725 175.510 -0.026 0.000 1.102 51 N CA 0.887 53.931 53.050 -0.011 0.000 0.697 51 N CB -1.163 37.316 38.487 -0.014 0.000 1.028 51 N HN 0.129 nan 8.380 nan 0.000 0.554 52 T N -0.912 113.585 114.554 -0.095 0.000 2.685 52 T HA -0.190 4.159 4.350 -0.002 0.000 0.268 52 T C 0.480 174.925 174.700 -0.424 0.000 1.034 52 T CA 1.551 63.461 62.100 -0.318 0.000 1.149 52 T CB -0.148 68.426 68.868 -0.490 0.000 0.860 52 T HN 0.376 nan 8.240 nan 0.000 0.449 53 Y N 0.891 121.278 120.300 0.146 0.000 2.388 53 Y HA 0.532 5.081 4.550 -0.002 0.000 0.328 53 Y C 0.315 176.319 175.900 0.173 0.000 0.963 53 Y CA -1.095 57.114 58.100 0.182 0.000 1.240 53 Y CB 0.812 39.438 38.460 0.277 0.000 1.118 53 Y HN -0.135 nan 8.280 nan 0.000 0.484 54 R N 3.457 124.092 120.500 0.224 0.000 2.346 54 R HA 0.545 4.883 4.340 -0.002 0.000 0.311 54 R C -1.046 175.364 176.300 0.183 0.000 0.983 54 R CA -0.672 55.531 56.100 0.172 0.000 0.880 54 R CB 0.789 31.149 30.300 0.098 0.000 1.100 54 R HN 0.707 nan 8.270 nan 0.000 0.453 55 L N 4.851 126.187 121.223 0.189 0.000 2.360 55 L HA 0.200 4.538 4.340 -0.002 0.000 0.276 55 L C 0.539 177.494 176.870 0.142 0.000 1.121 55 L CA 0.037 54.988 54.840 0.185 0.000 0.845 55 L CB 0.543 42.731 42.059 0.214 0.000 1.143 55 L HN 0.399 nan 8.230 nan 0.000 0.452 56 K N 3.939 124.417 120.400 0.130 0.000 2.237 56 K HA 0.483 4.802 4.320 -0.002 0.000 0.270 56 K C -0.494 176.143 176.600 0.061 0.000 1.015 56 K CA -0.423 55.915 56.287 0.085 0.000 0.949 56 K CB 1.278 33.826 32.500 0.079 0.000 0.976 56 K HN 0.308 nan 8.250 nan 0.000 0.472 57 L N 1.076 122.258 121.223 -0.069 0.000 2.260 57 L HA 0.430 4.768 4.340 -0.002 0.000 0.265 57 L C -0.745 175.805 176.870 -0.534 0.000 1.015 57 L CA -0.850 53.798 54.840 -0.321 0.000 0.826 57 L CB 0.515 42.519 42.059 -0.092 0.000 1.373 57 L HN 0.444 nan 8.230 nan 0.000 0.450 58 Y N -0.013 119.694 120.300 -0.989 0.000 2.628 58 Y HA 0.396 4.945 4.550 -0.002 0.000 0.354 58 Y C -0.587 175.122 175.900 -0.318 0.000 1.061 58 Y CA -0.410 57.319 58.100 -0.618 0.000 1.251 58 Y CB 1.245 39.204 38.460 -0.834 0.000 1.098 58 Y HN 0.452 nan 8.280 nan 0.000 0.626 59 S N 6.147 121.762 115.700 -0.142 0.000 2.411 59 S HA 0.378 4.846 4.470 -0.002 0.000 0.304 59 S C -0.291 174.264 174.600 -0.075 0.000 1.098 59 S CA -0.560 57.599 58.200 -0.068 0.000 1.068 59 S CB -0.409 62.773 63.200 -0.029 0.000 1.032 59 S HN 0.639 nan 8.310 nan 0.000 0.511 60 L N 2.381 123.484 121.223 -0.199 0.000 2.334 60 L HA 0.740 5.079 4.340 -0.002 0.000 0.270 60 L C -0.478 176.244 176.870 -0.247 0.000 1.018 60 L CA -0.941 53.704 54.840 -0.326 0.000 0.811 60 L CB 1.279 42.790 42.059 -0.914 0.000 1.271 60 L HN 0.353 nan 8.230 nan 0.000 0.443 61 R N 2.455 122.860 120.500 -0.159 0.000 2.467 61 R HA 0.300 4.638 4.340 -0.002 0.000 0.299 61 R C -1.614 174.702 176.300 0.027 0.000 1.120 61 R CA -0.449 55.629 56.100 -0.036 0.000 0.940 61 R CB 1.163 31.496 30.300 0.056 0.000 1.161 61 R HN 0.691 nan 8.270 nan 0.000 0.506 62 W N 4.168 125.562 121.300 0.155 0.000 2.295 62 W HA 0.031 4.690 4.660 -0.002 0.000 0.335 62 W C 1.540 178.123 176.519 0.107 0.000 1.351 62 W CA -0.269 57.174 57.345 0.164 0.000 1.273 62 W CB 0.396 29.954 29.460 0.163 0.000 1.214 62 W HN 0.639 nan 8.180 nan 0.000 0.563 63 I N 0.103 120.873 120.570 0.334 0.000 4.240 63 I HA 0.326 4.495 4.170 -0.002 0.000 0.331 63 I C 0.643 176.844 176.117 0.141 0.000 1.381 63 I CA -0.137 61.260 61.300 0.161 0.000 1.136 63 I CB -0.052 37.964 38.000 0.026 0.000 1.137 63 I HN 0.255 nan 8.210 nan 0.000 0.411 64 S N 0.414 116.234 115.700 0.199 0.000 2.930 64 S HA 0.211 4.679 4.470 -0.002 0.000 0.306 64 S C -0.055 174.655 174.600 0.183 0.000 1.238 64 S CA 0.095 58.391 58.200 0.160 0.000 1.000 64 S CB 0.527 63.795 63.200 0.114 0.000 1.342 64 S HN 0.271 nan 8.310 nan 0.000 0.575 65 D N 0.407 120.935 120.400 0.213 0.000 2.347 65 D HA -0.038 4.601 4.640 -0.002 0.000 0.213 65 D C 1.053 177.546 176.300 0.322 0.000 0.985 65 D CA 1.262 55.382 54.000 0.199 0.000 0.879 65 D CB -0.520 40.401 40.800 0.202 0.000 0.919 65 D HN 0.840 nan 8.370 nan 0.000 0.526 66 H N -1.478 117.696 119.070 0.173 0.000 3.182 66 H HA 0.461 5.016 4.556 -0.002 0.000 0.254 66 H C -0.581 174.835 175.328 0.148 0.000 1.197 66 H CA -0.445 55.662 56.048 0.097 0.000 1.061 66 H CB 0.103 29.916 29.762 0.085 0.000 1.722 66 H HN 0.015 nan 8.280 nan 0.000 0.662 67 E N 0.985 121.211 120.200 0.042 0.000 2.293 67 E HA 0.417 4.765 4.350 -0.002 0.000 0.270 67 E C -1.578 175.199 176.600 0.295 0.000 0.879 67 E CA -1.168 55.232 56.400 -0.001 0.000 0.756 67 E CB 2.873 32.432 29.700 -0.235 0.000 1.208 67 E HN 0.304 nan 8.360 nan 0.000 0.428 68 Y N -0.077 120.251 120.300 0.047 0.000 2.581 68 Y HA 0.663 5.212 4.550 -0.002 0.000 0.345 68 Y C -1.605 174.274 175.900 -0.035 0.000 1.036 68 Y CA -1.322 56.709 58.100 -0.116 0.000 1.042 68 Y CB 0.763 38.838 38.460 -0.641 0.000 1.289 68 Y HN 0.310 nan 8.280 nan 0.000 0.471 69 L N 2.714 124.058 121.223 0.201 0.000 2.344 69 L HA 0.594 4.933 4.340 -0.002 0.000 0.272 69 L C -1.325 175.753 176.870 0.347 0.000 1.035 69 L CA -1.091 53.861 54.840 0.187 0.000 0.807 69 L CB 1.714 43.790 42.059 0.028 0.000 1.237 69 L HN 0.791 nan 8.230 nan 0.000 0.442 70 Y N 2.044 122.446 120.300 0.170 0.000 2.436 70 Y HA 0.243 4.792 4.550 -0.002 0.000 0.327 70 Y C -1.174 174.755 175.900 0.048 0.000 1.138 70 Y CA -1.499 56.610 58.100 0.015 0.000 1.042 70 Y CB 1.375 39.739 38.460 -0.159 0.000 1.302 70 Y HN 0.473 nan 8.280 nan 0.000 0.439 71 K N 4.846 124.884 120.400 -0.603 0.000 2.219 71 K HA 0.216 4.535 4.320 -0.002 0.000 0.280 71 K C -0.725 175.454 176.600 -0.701 0.000 1.104 71 K CA -0.492 55.515 56.287 -0.466 0.000 0.925 71 K CB 1.220 33.575 32.500 -0.242 0.000 1.261 71 K HN 0.690 nan 8.250 nan 0.000 0.445 72 Q N 2.960 122.525 119.800 -0.392 0.000 2.294 72 Q HA 0.057 4.396 4.340 -0.002 0.000 0.257 72 Q C -0.086 175.839 176.000 -0.125 0.000 0.955 72 Q CA 0.607 56.291 55.803 -0.198 0.000 0.936 72 Q CB 0.660 29.436 28.738 0.064 0.000 1.188 72 Q HN 0.754 nan 8.270 nan 0.000 0.420 73 E N 2.671 122.807 120.200 -0.106 0.000 3.466 73 E HA -0.436 3.913 4.350 -0.002 0.000 0.425 73 E C -0.111 176.430 176.600 -0.098 0.000 1.529 73 E CA 2.580 58.934 56.400 -0.076 0.000 1.326 73 E CB -0.990 28.685 29.700 -0.042 0.000 1.408 73 E HN 0.899 nan 8.360 nan 0.000 0.411 74 N N -0.070 118.579 118.700 -0.084 0.000 2.113 74 N HA 0.130 4.869 4.740 -0.002 0.000 0.223 74 N C -1.046 174.406 175.510 -0.097 0.000 1.310 74 N CA -0.230 52.769 53.050 -0.085 0.000 0.896 74 N CB 0.513 38.964 38.487 -0.059 0.000 1.097 74 N HN 0.124 nan 8.380 nan 0.000 0.507 75 N N 1.648 120.294 118.700 -0.090 0.000 2.530 75 N HA 0.176 4.915 4.740 -0.002 0.000 0.273 75 N C -0.496 174.964 175.510 -0.084 0.000 1.173 75 N CA 0.257 53.257 53.050 -0.084 0.000 0.967 75 N CB 1.721 40.172 38.487 -0.060 0.000 1.109 75 N HN 0.077 nan 8.380 nan 0.000 0.453 76 I N 2.618 123.148 120.570 -0.067 0.000 2.352 76 I HA 0.185 4.354 4.170 -0.002 0.000 0.290 76 I C 0.134 176.296 176.117 0.075 0.000 1.036 76 I CA -0.296 60.995 61.300 -0.016 0.000 1.336 76 I CB 0.489 38.472 38.000 -0.028 0.000 1.407 76 I HN 0.200 nan 8.210 nan 0.000 0.497 77 L N 6.990 128.272 121.223 0.098 0.000 2.334 77 L HA 0.555 4.893 4.340 -0.002 0.000 0.276 77 L C -0.271 176.650 176.870 0.086 0.000 1.014 77 L CA -0.954 53.931 54.840 0.075 0.000 0.815 77 L CB 2.118 44.209 42.059 0.052 0.000 1.268 77 L HN 0.302 nan 8.230 nan 0.000 0.428 78 V N 2.943 122.827 119.914 -0.050 0.000 2.439 78 V HA 0.457 4.575 4.120 -0.002 0.000 0.282 78 V C -0.800 175.118 176.094 -0.293 0.000 1.039 78 V CA -0.084 62.150 62.300 -0.109 0.000 0.913 78 V CB 1.158 32.918 31.823 -0.105 0.000 0.983 78 V HN 0.444 nan 8.190 nan 0.000 0.460 79 F N 5.330 125.029 119.950 -0.418 0.000 2.480 79 F HA 0.484 5.010 4.527 -0.002 0.000 0.329 79 F C 0.466 175.979 175.800 -0.478 0.000 1.091 79 F CA -0.561 57.115 58.000 -0.541 0.000 0.972 79 F CB 1.595 39.950 39.000 -1.075 0.000 1.150 79 F HN 0.508 nan 8.300 nan 0.000 0.467 80 N N 1.959 120.590 118.700 -0.115 0.000 2.426 80 N HA 0.282 5.021 4.740 -0.002 0.000 0.257 80 N C 0.418 175.903 175.510 -0.042 0.000 1.002 80 N CA 0.093 53.117 53.050 -0.043 0.000 0.942 80 N CB 1.794 40.336 38.487 0.092 0.000 1.112 80 N HN 0.794 nan 8.380 nan 0.000 0.499 81 A N 3.711 126.458 122.820 -0.121 0.000 1.902 81 A HA -0.174 4.145 4.320 -0.002 0.000 0.217 81 A C 1.880 179.249 177.584 -0.358 0.000 1.181 81 A CA 1.506 53.409 52.037 -0.224 0.000 0.623 81 A CB -0.408 18.348 19.000 -0.408 0.000 0.818 81 A HN 0.776 nan 8.150 nan 0.000 0.443 82 E N -1.030 118.907 120.200 -0.439 0.000 2.072 82 E HA -0.149 4.199 4.350 -0.002 0.000 0.191 82 E C 1.320 177.676 176.600 -0.408 0.000 0.985 82 E CA 1.636 57.799 56.400 -0.395 0.000 0.801 82 E CB -0.347 29.041 29.700 -0.519 0.000 0.750 82 E HN 0.708 nan 8.360 nan 0.000 0.452 83 Y N -1.658 118.653 120.300 0.017 0.000 2.458 83 Y HA 0.351 4.900 4.550 -0.002 0.000 0.254 83 Y C 1.684 177.595 175.900 0.019 0.000 1.120 83 Y CA 0.362 58.476 58.100 0.022 0.000 1.282 83 Y CB 0.808 39.281 38.460 0.022 0.000 1.109 83 Y HN 0.200 nan 8.280 nan 0.000 0.526 84 G N 0.878 109.758 108.800 0.133 0.000 2.212 84 G HA2 -0.354 3.605 3.960 -0.002 0.000 0.266 84 G HA3 -0.354 3.605 3.960 -0.002 0.000 0.266 84 G C 0.291 175.266 174.900 0.126 0.000 0.978 84 G CA 0.337 45.518 45.100 0.135 0.000 0.632 84 G HN 0.487 nan 8.290 nan 0.000 0.537 85 N N 0.617 119.364 118.700 0.078 0.000 2.444 85 N HA 0.511 5.250 4.740 -0.002 0.000 0.255 85 N C -0.002 175.404 175.510 -0.172 0.000 1.255 85 N CA 0.892 53.927 53.050 -0.024 0.000 0.933 85 N CB 1.393 39.870 38.487 -0.017 0.000 1.143 85 N HN 1.043 nan 8.380 nan 0.000 0.453 86 S N -1.108 114.418 115.700 -0.289 0.000 2.596 86 S HA 0.725 5.193 4.470 -0.002 0.000 0.270 86 S C -0.943 173.462 174.600 -0.327 0.000 1.155 86 S CA -0.804 57.079 58.200 -0.527 0.000 0.827 86 S CB 1.232 63.705 63.200 -1.211 0.000 1.130 86 S HN 0.974 nan 8.310 nan 0.000 0.467 87 S N -0.405 115.119 115.700 -0.293 0.000 2.705 87 S HA 0.776 5.244 4.470 -0.002 0.000 0.280 87 S C -0.479 174.049 174.600 -0.120 0.000 1.174 87 S CA -0.553 57.548 58.200 -0.165 0.000 0.823 87 S CB 0.525 63.664 63.200 -0.102 0.000 1.162 87 S HN 1.862 nan 8.310 nan 0.000 0.487 88 V N 0.152 120.023 119.914 -0.072 0.000 2.508 88 V HA 0.490 4.609 4.120 -0.002 0.000 0.281 88 V C 0.556 176.664 176.094 0.023 0.000 1.041 88 V CA -0.280 62.000 62.300 -0.034 0.000 1.016 88 V CB -0.118 31.668 31.823 -0.061 0.000 0.984 88 V HN 0.887 nan 8.190 nan 0.000 0.478 89 F N 4.285 124.177 119.950 -0.096 0.000 2.274 89 F HA 0.530 5.055 4.527 -0.002 0.000 0.288 89 F C 0.431 176.176 175.800 -0.091 0.000 1.069 89 F CA 0.585 58.536 58.000 -0.083 0.000 1.343 89 F CB 0.609 39.573 39.000 -0.061 0.000 1.089 89 F HN 0.470 nan 8.300 nan 0.000 0.517 90 L N 0.915 122.121 121.223 -0.028 0.000 2.516 90 L HA 0.321 4.660 4.340 -0.002 0.000 0.267 90 L C -1.006 175.784 176.870 -0.134 0.000 0.957 90 L CA -0.501 54.252 54.840 -0.146 0.000 0.860 90 L CB 1.585 43.573 42.059 -0.119 0.000 1.265 90 L HN -0.078 nan 8.230 nan 0.000 0.403 91 E N 1.731 121.830 120.200 -0.168 0.000 2.398 91 E HA 0.087 4.436 4.350 -0.002 0.000 0.263 91 E C 0.843 177.349 176.600 -0.157 0.000 1.046 91 E CA 0.224 56.537 56.400 -0.145 0.000 0.908 91 E CB 0.455 30.070 29.700 -0.143 0.000 0.963 91 E HN 0.626 nan 8.360 nan 0.000 0.431 92 N N 0.646 119.277 118.700 -0.115 0.000 2.417 92 N HA -0.217 4.522 4.740 -0.002 0.000 0.187 92 N C 0.758 176.207 175.510 -0.101 0.000 1.027 92 N CA 1.411 54.403 53.050 -0.096 0.000 0.891 92 N CB -0.211 38.234 38.487 -0.069 0.000 0.956 92 N HN 0.322 nan 8.380 nan 0.000 0.442 93 S N -3.029 112.595 115.700 -0.128 0.000 2.568 93 S HA 0.192 4.660 4.470 -0.002 0.000 0.232 93 S C 0.968 175.452 174.600 -0.194 0.000 0.975 93 S CA -0.440 57.688 58.200 -0.121 0.000 0.949 93 S CB -0.374 62.770 63.200 -0.092 0.000 0.829 93 S HN 0.204 nan 8.310 nan 0.000 0.479 94 T N 1.087 115.437 114.554 -0.341 0.000 2.951 94 T HA 0.164 4.513 4.350 -0.002 0.000 0.268 94 T C -0.032 174.205 174.700 -0.771 0.000 1.073 94 T CA 0.831 62.563 62.100 -0.614 0.000 1.134 94 T CB -0.380 67.947 68.868 -0.903 0.000 0.884 94 T HN 0.524 nan 8.240 nan 0.000 0.479 95 F N 1.184 121.015 119.950 -0.197 0.000 2.879 95 F HA 0.408 4.933 4.527 -0.002 0.000 0.354 95 F C 0.803 176.579 175.800 -0.040 0.000 1.291 95 F CA -1.579 56.325 58.000 -0.160 0.000 1.238 95 F CB 0.169 38.986 39.000 -0.304 0.000 1.005 95 F HN -0.075 nan 8.300 nan 0.000 0.508 96 D N 0.190 120.630 120.400 0.066 0.000 2.183 96 D HA -0.088 4.551 4.640 -0.002 0.000 0.203 96 D C 1.433 177.772 176.300 0.066 0.000 0.969 96 D CA 1.199 55.228 54.000 0.049 0.000 0.842 96 D CB 0.287 41.085 40.800 -0.002 0.000 0.957 96 D HN 0.225 nan 8.370 nan 0.000 0.484 97 E N -0.402 119.849 120.200 0.085 0.000 2.542 97 E HA 0.023 4.371 4.350 -0.002 0.000 0.224 97 E C 0.368 177.038 176.600 0.117 0.000 1.110 97 E CA -0.359 56.080 56.400 0.064 0.000 1.350 97 E CB -0.031 29.689 29.700 0.034 0.000 1.302 97 E HN 0.162 nan 8.360 nan 0.000 0.435 98 F N 0.434 120.381 119.950 -0.005 0.000 2.317 98 F HA 0.176 4.702 4.527 -0.002 0.000 0.293 98 F C 1.537 177.241 175.800 -0.161 0.000 1.085 98 F CA 1.544 59.521 58.000 -0.039 0.000 1.390 98 F CB 0.384 39.360 39.000 -0.040 0.000 1.077 98 F HN 0.248 nan 8.300 nan 0.000 0.517 99 G N 0.765 109.390 108.800 -0.291 0.000 2.160 99 G HA2 -0.280 3.679 3.960 -0.002 0.000 0.244 99 G HA3 -0.280 3.679 3.960 -0.002 0.000 0.244 99 G C -0.367 174.051 174.900 -0.803 0.000 1.022 99 G CA 0.348 45.152 45.100 -0.493 0.000 0.741 99 G HN 0.665 nan 8.290 nan 0.000 0.508 100 H N -1.107 117.739 119.070 -0.373 0.000 3.029 100 H HA 0.536 5.091 4.556 -0.002 0.000 0.358 100 H C -0.228 175.089 175.328 -0.019 0.000 1.129 100 H CA -0.184 55.685 56.048 -0.299 0.000 1.230 100 H CB 1.665 30.977 29.762 -0.750 0.000 1.827 100 H HN 0.166 nan 8.280 nan 0.000 0.530 101 S N 2.860 118.649 115.700 0.147 0.000 2.465 101 S HA 0.090 4.559 4.470 -0.002 0.000 0.307 101 S C -0.121 174.569 174.600 0.149 0.000 1.187 101 S CA -0.554 57.719 58.200 0.121 0.000 1.141 101 S CB -0.954 62.300 63.200 0.090 0.000 1.108 101 S HN 0.350 nan 8.310 nan 0.000 0.525 102 I N 5.534 126.176 120.570 0.121 0.000 2.421 102 I HA 0.195 4.364 4.170 -0.002 0.000 0.291 102 I C 1.541 177.683 176.117 0.042 0.000 1.089 102 I CA 0.148 61.493 61.300 0.076 0.000 1.354 102 I CB 0.153 38.131 38.000 -0.037 0.000 1.413 102 I HN 0.601 nan 8.210 nan 0.000 0.513 103 N N 3.962 122.683 118.700 0.034 0.000 2.368 103 N HA -0.040 4.699 4.740 -0.002 0.000 0.176 103 N C 0.112 175.594 175.510 -0.047 0.000 1.021 103 N CA 0.749 53.775 53.050 -0.039 0.000 0.888 103 N CB 0.576 39.008 38.487 -0.091 0.000 0.995 103 N HN 0.749 nan 8.380 nan 0.000 0.437 104 D N -1.732 118.670 120.400 0.005 0.000 2.692 104 D HA 0.189 4.827 4.640 -0.002 0.000 0.290 104 D C -1.694 174.692 176.300 0.143 0.000 1.281 104 D CA -0.385 53.637 54.000 0.037 0.000 0.804 104 D CB 1.504 42.286 40.800 -0.030 0.000 1.331 104 D HN 0.107 nan 8.370 nan 0.000 0.432 105 Y N -1.291 119.044 120.300 0.058 0.000 2.597 105 Y HA 0.683 5.232 4.550 -0.002 0.000 0.340 105 Y C -1.414 174.583 175.900 0.163 0.000 1.097 105 Y CA -0.861 57.299 58.100 0.100 0.000 1.037 105 Y CB 1.666 40.175 38.460 0.081 0.000 1.305 105 Y HN 0.135 nan 8.280 nan 0.000 0.463 106 S N 2.901 118.802 115.700 0.335 0.000 2.668 106 S HA 0.632 5.101 4.470 -0.002 0.000 0.277 106 S C -1.490 173.452 174.600 0.571 0.000 1.170 106 S CA -0.553 57.851 58.200 0.340 0.000 0.994 106 S CB 0.345 63.736 63.200 0.319 0.000 1.051 106 S HN 0.714 nan 8.310 nan 0.000 0.484 107 I N 4.314 125.129 120.570 0.410 0.000 2.396 107 I HA 0.297 4.466 4.170 -0.002 0.000 0.292 107 I C 0.917 176.915 176.117 -0.199 0.000 0.999 107 I CA -0.434 61.001 61.300 0.225 0.000 1.310 107 I CB 1.786 39.916 38.000 0.216 0.000 1.404 107 I HN 0.788 nan 8.210 nan 0.000 0.496 108 S N 5.749 121.009 115.700 -0.733 0.000 2.560 108 S HA 0.145 4.613 4.470 -0.002 0.000 0.284 108 S C -1.784 172.531 174.600 -0.475 0.000 1.327 108 S CA -0.923 56.498 58.200 -1.298 0.000 1.055 108 S CB 0.714 62.952 63.200 -1.603 0.000 0.868 108 S HN 0.417 nan 8.310 nan 0.000 0.506 109 P HA -0.186 nan 4.420 nan 0.000 0.218 109 P C 0.794 178.041 177.300 -0.089 0.000 1.152 109 P CA 1.751 64.769 63.100 -0.137 0.000 0.857 109 P CB -0.140 31.500 31.700 -0.101 0.000 0.787 110 D N -2.349 117.999 120.400 -0.088 0.000 2.340 110 D HA 0.079 4.718 4.640 -0.002 0.000 0.220 110 D C 1.357 177.649 176.300 -0.013 0.000 1.039 110 D CA 0.622 54.608 54.000 -0.023 0.000 0.866 110 D CB -1.189 39.630 40.800 0.031 0.000 0.913 110 D HN 0.203 nan 8.370 nan 0.000 0.523 111 G N 0.631 109.413 108.800 -0.030 0.000 2.187 111 G HA2 -0.430 3.529 3.960 -0.002 0.000 0.261 111 G HA3 -0.430 3.529 3.960 -0.002 0.000 0.261 111 G C 0.906 175.830 174.900 0.041 0.000 1.000 111 G CA 0.747 45.906 45.100 0.097 0.000 0.718 111 G HN 0.458 nan 8.290 nan 0.000 0.519 112 Q N -1.683 118.031 119.800 -0.142 0.000 2.269 112 Q HA 0.389 4.728 4.340 -0.002 0.000 0.201 112 Q C 0.295 175.839 176.000 -0.761 0.000 0.946 112 Q CA 0.738 56.252 55.803 -0.482 0.000 0.877 112 Q CB 0.208 28.572 28.738 -0.624 0.000 0.963 112 Q HN 0.588 nan 8.270 nan 0.000 0.472 113 F N -0.888 119.017 119.950 -0.075 0.000 2.588 113 F HA 0.486 5.012 4.527 -0.002 0.000 0.314 113 F C -0.619 175.281 175.800 0.167 0.000 1.069 113 F CA -1.129 56.898 58.000 0.044 0.000 0.931 113 F CB 1.524 40.589 39.000 0.108 0.000 1.260 113 F HN -0.211 nan 8.300 nan 0.000 0.465 114 I N 2.978 123.872 120.570 0.541 0.000 2.509 114 I HA 0.436 4.605 4.170 -0.002 0.000 0.293 114 I C -1.568 174.879 176.117 0.550 0.000 1.020 114 I CA -0.827 60.793 61.300 0.533 0.000 1.088 114 I CB 1.604 39.881 38.000 0.461 0.000 1.267 114 I HN 0.476 nan 8.210 nan 0.000 0.430 115 L N 8.164 129.722 121.223 0.559 0.000 2.264 115 L HA 0.506 4.845 4.340 -0.002 0.000 0.289 115 L C -1.214 175.821 176.870 0.275 0.000 1.044 115 L CA -0.716 54.351 54.840 0.378 0.000 0.807 115 L CB 1.254 43.489 42.059 0.294 0.000 1.192 115 L HN 0.562 nan 8.230 nan 0.000 0.425 116 L N 4.816 126.139 121.223 0.167 0.000 2.322 116 L HA 0.476 4.815 4.340 -0.002 0.000 0.281 116 L C -0.204 176.724 176.870 0.096 0.000 1.014 116 L CA -0.378 54.486 54.840 0.041 0.000 0.815 116 L CB 1.878 43.749 42.059 -0.314 0.000 1.247 116 L HN 0.554 nan 8.230 nan 0.000 0.421 117 E N 3.483 123.691 120.200 0.013 0.000 2.129 117 E HA 0.410 4.759 4.350 -0.002 0.000 0.268 117 E C -1.663 174.893 176.600 -0.073 0.000 0.900 117 E CA -0.552 55.685 56.400 -0.271 0.000 0.755 117 E CB 1.046 30.634 29.700 -0.188 0.000 1.117 117 E HN 0.468 nan 8.360 nan 0.000 0.410 118 Y N 1.660 121.791 120.300 -0.282 0.000 2.698 118 Y HA 0.489 5.038 4.550 -0.002 0.000 0.332 118 Y C 0.088 175.895 175.900 -0.154 0.000 1.119 118 Y CA -1.640 56.371 58.100 -0.149 0.000 1.109 118 Y CB 0.447 38.849 38.460 -0.097 0.000 1.308 118 Y HN 0.436 nan 8.280 nan 0.000 0.499 119 N N -0.617 118.110 118.700 0.044 0.000 2.721 119 N HA -0.304 4.434 4.740 -0.002 0.000 0.249 119 N C -1.039 174.460 175.510 -0.019 0.000 1.072 119 N CA 0.949 53.989 53.050 -0.016 0.000 0.710 119 N CB -1.741 36.673 38.487 -0.120 0.000 0.993 119 N HN 0.852 nan 8.380 nan 0.000 0.547 120 Y N 0.378 120.624 120.300 -0.090 0.000 2.677 120 Y HA 0.244 4.792 4.550 -0.002 0.000 0.335 120 Y C -0.025 175.852 175.900 -0.038 0.000 1.162 120 Y CA 0.025 58.073 58.100 -0.088 0.000 1.483 120 Y CB 0.591 38.957 38.460 -0.156 0.000 1.209 120 Y HN 0.007 nan 8.280 nan 0.000 0.528 121 V N 8.119 127.732 119.914 -0.501 0.000 2.409 121 V HA 0.210 4.328 4.120 -0.002 0.000 0.290 121 V C -0.250 175.492 176.094 -0.587 0.000 1.017 121 V CA -1.411 60.631 62.300 -0.430 0.000 0.841 121 V CB 1.342 33.049 31.823 -0.193 0.000 1.003 121 V HN 0.705 nan 8.190 nan 0.000 0.426 122 K N 3.555 123.611 120.400 -0.573 0.000 2.401 122 K HA 0.184 4.502 4.320 -0.002 0.000 0.278 122 K C 0.561 176.992 176.600 -0.281 0.000 1.018 122 K CA 0.267 56.346 56.287 -0.345 0.000 0.981 122 K CB 1.010 33.473 32.500 -0.061 0.000 0.933 122 K HN 0.808 nan 8.250 nan 0.000 0.477 123 Q N 3.049 122.645 119.800 -0.340 0.000 2.263 123 Q HA 0.161 4.500 4.340 -0.002 0.000 0.258 123 Q C -0.080 175.655 176.000 -0.442 0.000 0.993 123 Q CA -0.162 55.233 55.803 -0.679 0.000 0.820 123 Q CB 0.069 28.199 28.738 -1.012 0.000 1.737 123 Q HN 0.710 nan 8.270 nan 0.000 0.522 124 W N -0.177 121.112 121.300 -0.019 0.000 1.941 124 W HA 0.410 5.068 4.660 -0.002 0.000 0.629 124 W C 1.780 178.269 176.519 -0.050 0.000 1.517 124 W CA -0.836 56.520 57.345 0.017 0.000 1.502 124 W CB -0.175 29.270 29.460 -0.025 0.000 3.266 124 W HN 0.221 nan 8.180 nan 0.000 0.765 125 R N -0.548 120.015 120.500 0.106 0.000 2.091 125 R HA -0.156 4.183 4.340 -0.002 0.000 0.238 125 R C 1.697 177.803 176.300 -0.324 0.000 1.136 125 R CA 1.843 57.822 56.100 -0.202 0.000 0.959 125 R CB -0.400 29.620 30.300 -0.466 0.000 0.856 125 R HN 0.516 nan 8.270 nan 0.000 0.437 126 H N -1.695 117.440 119.070 0.108 0.000 3.017 126 H HA 0.152 4.707 4.556 -0.002 0.000 0.255 126 H C 0.523 175.927 175.328 0.128 0.000 0.990 126 H CA 0.347 56.479 56.048 0.140 0.000 1.205 126 H CB 0.352 30.169 29.762 0.093 0.000 1.460 126 H HN 0.109 nan 8.280 nan 0.000 0.478 127 S N 1.461 117.150 115.700 -0.019 0.000 2.580 127 S HA 0.384 4.853 4.470 -0.002 0.000 0.274 127 S C -0.302 174.175 174.600 -0.205 0.000 1.329 127 S CA -0.515 57.393 58.200 -0.488 0.000 1.036 127 S CB 0.608 63.071 63.200 -1.228 0.000 0.919 127 S HN 0.435 nan 8.310 nan 0.000 0.515 128 Y N -1.886 118.276 120.300 -0.230 0.000 2.677 128 Y HA 0.714 5.263 4.550 -0.002 0.000 0.334 128 Y C -0.661 175.220 175.900 -0.031 0.000 1.196 128 Y CA -0.924 57.045 58.100 -0.217 0.000 1.059 128 Y CB 0.686 38.982 38.460 -0.274 0.000 1.315 128 Y HN 0.846 nan 8.280 nan 0.000 0.455 129 T N -0.063 114.535 114.554 0.073 0.000 2.932 129 T HA 0.994 5.343 4.350 -0.002 0.000 0.289 129 T C -0.584 174.205 174.700 0.148 0.000 1.039 129 T CA -0.074 62.098 62.100 0.119 0.000 1.024 129 T CB 1.658 70.555 68.868 0.048 0.000 1.090 129 T HN 1.803 nan 8.240 nan 0.000 0.496 130 A N 1.182 124.083 122.820 0.135 0.000 2.599 130 A HA 0.772 5.091 4.320 -0.002 0.000 0.290 130 A C -0.476 176.950 177.584 -0.264 0.000 1.101 130 A CA -0.964 51.021 52.037 -0.087 0.000 0.674 130 A CB 1.256 20.174 19.000 -0.137 0.000 1.277 130 A HN 0.867 nan 8.150 nan 0.000 0.419 131 S N -0.524 114.790 115.700 -0.642 0.000 2.608 131 S HA 0.780 5.249 4.470 -0.002 0.000 0.291 131 S C -1.330 172.571 174.600 -1.166 0.000 1.146 131 S CA -0.031 57.658 58.200 -0.851 0.000 1.043 131 S CB 0.580 63.037 63.200 -1.238 0.000 1.037 131 S HN 0.450 nan 8.310 nan 0.000 0.520 132 Y N 0.114 120.091 120.300 -0.538 0.000 2.576 132 Y HA 0.549 5.098 4.550 -0.002 0.000 0.346 132 Y C -0.225 175.665 175.900 -0.017 0.000 1.018 132 Y CA -0.874 57.075 58.100 -0.251 0.000 1.050 132 Y CB 1.857 40.162 38.460 -0.257 0.000 1.280 132 Y HN 0.491 nan 8.280 nan 0.000 0.474 133 D N 1.282 121.851 120.400 0.282 0.000 2.756 133 D HA 0.492 5.131 4.640 -0.002 0.000 0.226 133 D C -1.347 175.066 176.300 0.189 0.000 1.186 133 D CA -0.359 53.794 54.000 0.255 0.000 0.845 133 D CB 2.749 43.791 40.800 0.404 0.000 1.610 133 D HN 0.346 nan 8.370 nan 0.000 0.465 134 I N 1.875 122.551 120.570 0.176 0.000 2.377 134 I HA 0.313 4.482 4.170 -0.002 0.000 0.293 134 I C -0.881 175.437 176.117 0.334 0.000 0.987 134 I CA -0.834 60.608 61.300 0.237 0.000 1.185 134 I CB 1.419 39.499 38.000 0.135 0.000 1.341 134 I HN 0.215 nan 8.210 nan 0.000 0.455 135 Y N 5.586 126.048 120.300 0.270 0.000 2.338 135 Y HA 0.396 4.945 4.550 -0.002 0.000 0.333 135 Y C -0.612 175.469 175.900 0.302 0.000 0.968 135 Y CA -0.910 57.354 58.100 0.273 0.000 1.123 135 Y CB 1.201 39.851 38.460 0.316 0.000 1.165 135 Y HN 0.537 nan 8.280 nan 0.000 0.452 136 D N 5.771 126.062 120.400 -0.182 0.000 2.348 136 D HA 0.118 4.757 4.640 -0.002 0.000 0.253 136 D C 0.471 176.450 176.300 -0.536 0.000 1.161 136 D CA 0.306 54.169 54.000 -0.228 0.000 0.876 136 D CB 1.289 42.016 40.800 -0.123 0.000 1.160 136 D HN 0.902 nan 8.370 nan 0.000 0.459 137 L N 3.501 124.473 121.223 -0.419 0.000 2.446 137 L HA 0.032 4.371 4.340 -0.002 0.000 0.219 137 L C 1.805 178.485 176.870 -0.317 0.000 1.116 137 L CA 0.046 54.690 54.840 -0.326 0.000 0.844 137 L CB -0.070 41.845 42.059 -0.241 0.000 0.970 137 L HN 0.323 nan 8.230 nan 0.000 0.457 138 N N 1.013 119.513 118.700 -0.332 0.000 2.305 138 N HA -0.016 4.722 4.740 -0.002 0.000 0.179 138 N C 0.253 175.640 175.510 -0.205 0.000 1.019 138 N CA 0.736 53.638 53.050 -0.247 0.000 0.869 138 N CB 0.223 38.571 38.487 -0.231 0.000 1.000 138 N HN 0.384 nan 8.380 nan 0.000 0.431 139 K N 1.019 121.287 120.400 -0.221 0.000 2.347 139 K HA 0.416 4.735 4.320 -0.002 0.000 0.262 139 K C -0.557 175.894 176.600 -0.249 0.000 1.052 139 K CA -0.480 55.700 56.287 -0.178 0.000 0.946 139 K CB 1.360 33.785 32.500 -0.126 0.000 1.220 139 K HN -0.222 nan 8.250 nan 0.000 0.450 140 R N 3.274 123.647 120.500 -0.213 0.000 4.432 140 R HA -0.074 4.265 4.340 -0.002 0.000 0.165 140 R C -0.100 176.092 176.300 -0.179 0.000 1.929 140 R CA 0.387 56.343 56.100 -0.240 0.000 1.469 140 R CB -0.421 29.841 30.300 -0.064 0.000 1.368 140 R HN 0.676 nan 8.270 nan 0.000 0.811 141 Q N 0.037 119.622 119.800 -0.359 0.000 2.456 141 Q HA 0.296 4.635 4.340 -0.002 0.000 0.284 141 Q C -1.179 174.795 176.000 -0.042 0.000 1.061 141 Q CA -1.128 54.632 55.803 -0.072 0.000 0.799 141 Q CB 1.150 29.878 28.738 -0.017 0.000 1.445 141 Q HN 0.041 nan 8.270 nan 0.000 0.411 142 L N 1.423 122.800 121.223 0.256 0.000 2.452 142 L HA 0.285 4.624 4.340 -0.002 0.000 0.267 142 L C 0.002 176.972 176.870 0.167 0.000 1.188 142 L CA 0.124 55.153 54.840 0.314 0.000 0.821 142 L CB 0.398 42.666 42.059 0.349 0.000 1.102 142 L HN 0.609 nan 8.230 nan 0.000 0.470 143 I N 0.597 121.267 120.570 0.166 0.000 2.365 143 I HA 0.158 4.327 4.170 -0.002 0.000 0.291 143 I C 0.844 177.010 176.117 0.082 0.000 1.004 143 I CA 0.342 61.704 61.300 0.102 0.000 1.311 143 I CB 1.365 39.416 38.000 0.086 0.000 1.401 143 I HN 0.840 nan 8.210 nan 0.000 0.491 144 T N 0.512 115.097 114.554 0.051 0.000 2.975 144 T HA 0.279 4.628 4.350 -0.002 0.000 0.257 144 T C 0.304 175.007 174.700 0.005 0.000 1.003 144 T CA -0.349 61.771 62.100 0.034 0.000 0.932 144 T CB -0.121 68.768 68.868 0.036 0.000 1.087 144 T HN 0.461 nan 8.240 nan 0.000 0.512 145 E N 2.738 122.937 120.200 -0.001 0.000 2.200 145 E HA 0.387 4.735 4.350 -0.002 0.000 0.283 145 E C -0.494 176.080 176.600 -0.042 0.000 1.015 145 E CA -0.697 55.691 56.400 -0.020 0.000 0.819 145 E CB 0.466 30.159 29.700 -0.012 0.000 1.081 145 E HN 0.122 nan 8.360 nan 0.000 0.397 146 E N 1.584 121.746 120.200 -0.063 0.000 2.246 146 E HA -0.222 4.126 4.350 -0.002 0.000 0.211 146 E C -0.700 175.825 176.600 -0.126 0.000 1.278 146 E CA 0.567 56.911 56.400 -0.093 0.000 0.694 146 E CB -1.270 28.383 29.700 -0.078 0.000 1.166 146 E HN 0.533 nan 8.360 nan 0.000 0.370 147 R N -0.153 120.264 120.500 -0.138 0.000 2.615 147 R HA 0.422 4.761 4.340 -0.002 0.000 0.270 147 R C 1.196 177.317 176.300 -0.298 0.000 1.081 147 R CA -0.570 55.431 56.100 -0.166 0.000 1.154 147 R CB 0.590 30.825 30.300 -0.107 0.000 1.063 147 R HN 0.152 nan 8.270 nan 0.000 0.519 148 I N 3.419 123.768 120.570 -0.368 0.000 2.710 148 I HA 0.009 4.177 4.170 -0.002 0.000 0.286 148 I C -1.729 174.078 176.117 -0.517 0.000 1.181 148 I CA -1.380 59.547 61.300 -0.621 0.000 1.430 148 I CB 0.405 38.021 38.000 -0.641 0.000 1.367 148 I HN 0.312 nan 8.210 nan 0.000 0.577 149 P HA 0.084 nan 4.420 nan 0.000 0.272 149 P C -0.844 176.241 177.300 -0.358 0.000 1.230 149 P CA -0.386 62.319 63.100 -0.657 0.000 0.788 149 P CB 0.359 31.231 31.700 -1.381 0.000 0.949 150 N N 2.285 120.858 118.700 -0.212 0.000 2.415 150 N HA 0.007 4.746 4.740 -0.002 0.000 0.248 150 N C 0.387 175.950 175.510 0.089 0.000 1.271 150 N CA 0.322 53.321 53.050 -0.086 0.000 0.913 150 N CB -0.289 38.167 38.487 -0.052 0.000 1.129 150 N HN 0.447 nan 8.380 nan 0.000 0.444 151 N N -0.969 117.783 118.700 0.087 0.000 2.780 151 N HA -0.148 4.591 4.740 -0.002 0.000 0.248 151 N C -0.872 174.818 175.510 0.300 0.000 1.102 151 N CA 0.623 53.775 53.050 0.171 0.000 0.697 151 N CB -1.666 36.929 38.487 0.180 0.000 1.028 151 N HN 0.488 nan 8.380 nan 0.000 0.554 152 T N 0.809 115.518 114.554 0.258 0.000 2.901 152 T HA 0.121 4.470 4.350 -0.002 0.000 0.301 152 T C 1.703 176.551 174.700 0.246 0.000 1.012 152 T CA 0.091 62.357 62.100 0.277 0.000 1.135 152 T CB 1.484 70.422 68.868 0.116 0.000 0.936 152 T HN 0.180 nan 8.240 nan 0.000 0.539 153 Q N 1.592 121.528 119.800 0.226 0.000 2.204 153 Q HA 0.168 4.507 4.340 -0.002 0.000 0.198 153 Q C 0.065 176.208 176.000 0.238 0.000 0.946 153 Q CA 0.532 56.478 55.803 0.240 0.000 0.859 153 Q CB 0.693 29.523 28.738 0.153 0.000 0.946 153 Q HN 0.717 nan 8.270 nan 0.000 0.474 154 W N 0.229 121.464 121.300 -0.107 0.000 3.573 154 W HA 0.458 5.117 4.660 -0.002 0.000 0.306 154 W C -2.187 174.227 176.519 -0.176 0.000 1.227 154 W CA -0.719 56.521 57.345 -0.176 0.000 1.212 154 W CB 1.219 30.519 29.460 -0.266 0.000 1.331 154 W HN -0.346 nan 8.180 nan 0.000 0.524 155 V N 3.433 122.669 119.914 -1.129 0.000 2.735 155 V HA 0.758 4.877 4.120 -0.002 0.000 0.310 155 V C -0.365 175.041 176.094 -1.147 0.000 1.061 155 V CA -0.693 61.014 62.300 -0.988 0.000 0.913 155 V CB 1.558 32.718 31.823 -1.105 0.000 1.005 155 V HN 0.498 nan 8.190 nan 0.000 0.428 156 T N 2.510 116.715 114.554 -0.580 0.000 2.982 156 T HA 0.509 4.857 4.350 -0.002 0.000 0.321 156 T C -1.518 173.142 174.700 -0.067 0.000 1.229 156 T CA -0.351 61.597 62.100 -0.255 0.000 1.044 156 T CB 0.887 69.829 68.868 0.124 0.000 1.184 156 T HN 0.567 nan 8.240 nan 0.000 0.477 157 W N 3.263 124.557 121.300 -0.010 0.000 2.170 157 W HA 0.418 5.077 4.660 -0.002 0.000 0.336 157 W C 1.172 177.462 176.519 -0.381 0.000 1.283 157 W CA -0.662 56.618 57.345 -0.108 0.000 1.224 157 W CB 0.619 30.036 29.460 -0.071 0.000 1.132 157 W HN 0.769 nan 8.180 nan 0.000 0.571 158 S N 2.584 117.956 115.700 -0.547 0.000 2.568 158 S HA 0.060 4.529 4.470 -0.002 0.000 0.282 158 S C -1.456 172.868 174.600 -0.459 0.000 1.338 158 S CA -1.028 56.413 58.200 -1.264 0.000 1.045 158 S CB 0.952 63.388 63.200 -1.272 0.000 0.873 158 S HN 0.383 nan 8.310 nan 0.000 0.516 159 P HA 0.089 nan 4.420 nan 0.000 0.234 159 P C -0.189 177.065 177.300 -0.077 0.000 1.167 159 P CA 0.415 63.467 63.100 -0.080 0.000 0.763 159 P CB -0.045 31.664 31.700 0.015 0.000 0.835 160 V N -1.495 118.331 119.914 -0.146 0.000 2.962 160 V HA 0.678 4.797 4.120 -0.002 0.000 0.313 160 V C 0.779 176.771 176.094 -0.171 0.000 1.099 160 V CA 0.000 62.231 62.300 -0.116 0.000 0.971 160 V CB 1.087 32.856 31.823 -0.089 0.000 1.028 160 V HN 0.405 nan 8.190 nan 0.000 0.430 161 G N 2.269 110.986 108.800 -0.138 0.000 2.528 161 G HA2 -0.202 3.756 3.960 -0.002 0.000 0.262 161 G HA3 -0.202 3.756 3.960 -0.002 0.000 0.262 161 G C 0.093 174.911 174.900 -0.136 0.000 1.200 161 G CA 0.546 45.535 45.100 -0.184 0.000 0.951 161 G HN 1.857 nan 8.290 nan 0.000 0.566 162 H N -0.383 118.681 119.070 -0.010 0.000 2.907 162 H HA 0.422 4.976 4.556 -0.002 0.000 0.233 162 H C 0.222 175.698 175.328 0.247 0.000 1.285 162 H CA -0.213 55.884 56.048 0.081 0.000 0.981 162 H CB -0.098 29.767 29.762 0.172 0.000 2.255 162 H HN 0.495 nan 8.280 nan 0.000 0.601 163 K N 1.629 122.064 120.400 0.058 0.000 2.202 163 K HA 0.448 4.767 4.320 -0.002 0.000 0.264 163 K C -0.465 176.210 176.600 0.126 0.000 1.010 163 K CA -0.444 55.864 56.287 0.035 0.000 0.940 163 K CB 1.833 34.203 32.500 -0.215 0.000 0.983 163 K HN 0.139 nan 8.250 nan 0.000 0.475 164 L N 1.290 122.608 121.223 0.158 0.000 2.386 164 L HA 0.517 4.856 4.340 -0.002 0.000 0.271 164 L C -0.896 176.156 176.870 0.302 0.000 0.993 164 L CA -0.696 54.199 54.840 0.091 0.000 0.819 164 L CB 2.084 44.068 42.059 -0.125 0.000 1.294 164 L HN 0.711 nan 8.230 nan 0.000 0.414 165 A N 2.886 125.899 122.820 0.321 0.000 2.343 165 A HA 0.821 5.139 4.320 -0.002 0.000 0.316 165 A C -1.502 176.114 177.584 0.053 0.000 1.104 165 A CA -0.374 51.756 52.037 0.156 0.000 0.768 165 A CB 1.052 20.101 19.000 0.082 0.000 1.213 165 A HN 0.656 nan 8.150 nan 0.000 0.456 166 Y N -0.564 119.685 120.300 -0.084 0.000 2.644 166 Y HA 0.804 5.352 4.550 -0.002 0.000 0.338 166 Y C -1.170 174.728 175.900 -0.004 0.000 1.119 166 Y CA -1.614 56.409 58.100 -0.128 0.000 1.060 166 Y CB 1.204 39.525 38.460 -0.231 0.000 1.294 166 Y HN 0.391 nan 8.280 nan 0.000 0.472 167 V N 1.594 121.630 119.914 0.204 0.000 2.487 167 V HA 0.354 4.473 4.120 -0.002 0.000 0.298 167 V C -1.610 174.698 176.094 0.358 0.000 1.028 167 V CA -0.610 61.784 62.300 0.157 0.000 0.860 167 V CB 1.412 33.245 31.823 0.017 0.000 0.991 167 V HN 0.854 nan 8.190 nan 0.000 0.427 168 W N 4.954 126.357 121.300 0.171 0.000 3.042 168 W HA 0.479 5.138 4.660 -0.002 0.000 0.337 168 W C 0.247 176.828 176.519 0.103 0.000 1.086 168 W CA -0.860 56.564 57.345 0.132 0.000 1.236 168 W CB 1.264 30.779 29.460 0.092 0.000 1.381 168 W HN 0.787 nan 8.180 nan 0.000 0.472 169 N N 5.149 123.527 118.700 -0.536 0.000 2.725 169 N HA -0.335 4.404 4.740 -0.002 0.000 0.251 169 N C -0.055 175.294 175.510 -0.268 0.000 1.031 169 N CA 1.003 53.736 53.050 -0.527 0.000 0.720 169 N CB -0.945 37.032 38.487 -0.851 0.000 0.930 169 N HN 0.687 nan 8.380 nan 0.000 0.543 170 N N -1.646 116.956 118.700 -0.164 0.000 2.753 170 N HA -0.165 4.574 4.740 -0.002 0.000 0.251 170 N C -1.550 173.866 175.510 -0.157 0.000 1.097 170 N CA 1.687 54.651 53.050 -0.143 0.000 0.786 170 N CB -0.463 37.900 38.487 -0.207 0.000 1.137 170 N HN 0.563 nan 8.380 nan 0.000 0.566 171 D N -0.028 120.284 120.400 -0.147 0.000 2.481 171 D HA 0.434 5.073 4.640 -0.002 0.000 0.244 171 D C 0.425 176.524 176.300 -0.336 0.000 1.057 171 D CA -0.480 53.347 54.000 -0.288 0.000 0.848 171 D CB 1.385 41.955 40.800 -0.384 0.000 1.388 171 D HN 0.011 nan 8.370 nan 0.000 0.475 172 I N 2.036 122.275 120.570 -0.552 0.000 2.441 172 I HA 0.127 4.296 4.170 -0.002 0.000 0.287 172 I C -0.528 175.130 176.117 -0.763 0.000 1.049 172 I CA -0.086 60.873 61.300 -0.568 0.000 1.381 172 I CB 0.291 37.872 38.000 -0.699 0.000 1.409 172 I HN 0.160 nan 8.210 nan 0.000 0.523 173 Y N 4.490 124.409 120.300 -0.635 0.000 2.485 173 Y HA 0.673 5.221 4.550 -0.002 0.000 0.345 173 Y C -0.282 175.258 175.900 -0.601 0.000 0.998 173 Y CA -0.931 56.743 58.100 -0.711 0.000 1.059 173 Y CB 1.974 39.742 38.460 -1.153 0.000 1.234 173 Y HN 0.111 nan 8.280 nan 0.000 0.461 174 V N 2.551 122.399 119.914 -0.110 0.000 2.656 174 V HA 0.459 4.578 4.120 -0.002 0.000 0.307 174 V C -0.818 175.415 176.094 0.231 0.000 1.051 174 V CA -1.381 60.953 62.300 0.056 0.000 0.893 174 V CB 2.011 33.875 31.823 0.069 0.000 0.999 174 V HN 0.614 nan 8.190 nan 0.000 0.426 175 K N 3.493 124.036 120.400 0.238 0.000 2.323 175 K HA 0.541 4.860 4.320 -0.002 0.000 0.259 175 K C 0.395 177.131 176.600 0.226 0.000 0.947 175 K CA -0.723 55.711 56.287 0.243 0.000 0.819 175 K CB 1.791 34.388 32.500 0.162 0.000 1.109 175 K HN 0.465 nan 8.250 nan 0.000 0.429 176 I N 1.249 121.965 120.570 0.244 0.000 2.193 176 I HA -0.068 4.100 4.170 -0.002 0.000 0.240 176 I C 0.532 176.765 176.117 0.193 0.000 1.084 176 I CA 1.404 62.809 61.300 0.175 0.000 1.365 176 I CB -0.082 38.011 38.000 0.154 0.000 1.064 176 I HN 0.580 nan 8.210 nan 0.000 0.410 177 E N 0.509 120.817 120.200 0.180 0.000 2.191 177 E HA 0.239 4.588 4.350 -0.002 0.000 0.274 177 E C -1.755 174.851 176.600 0.010 0.000 0.948 177 E CA -2.157 54.322 56.400 0.132 0.000 0.802 177 E CB 1.354 31.122 29.700 0.113 0.000 1.137 177 E HN -0.049 nan 8.360 nan 0.000 0.397 178 P HA -0.124 nan 4.420 nan 0.000 0.220 178 P C 0.780 178.005 177.300 -0.126 0.000 1.148 178 P CA 1.117 64.078 63.100 -0.232 0.000 0.803 178 P CB 0.312 31.649 31.700 -0.604 0.000 0.782 179 N N -1.134 117.518 118.700 -0.081 0.000 2.280 179 N HA 0.016 4.754 4.740 -0.002 0.000 0.192 179 N C 0.113 175.615 175.510 -0.013 0.000 1.109 179 N CA 0.196 53.230 53.050 -0.028 0.000 0.855 179 N CB -0.151 38.339 38.487 0.005 0.000 0.974 179 N HN 0.171 nan 8.380 nan 0.000 0.482 180 L N 0.918 122.140 121.223 -0.002 0.000 2.334 180 L HA 0.512 4.851 4.340 -0.002 0.000 0.272 180 L C -2.276 174.577 176.870 -0.027 0.000 1.020 180 L CA -2.274 52.568 54.840 0.004 0.000 0.812 180 L CB 1.661 43.750 42.059 0.050 0.000 1.264 180 L HN -0.187 nan 8.230 nan 0.000 0.439 181 P HA 0.012 nan 4.420 nan 0.000 0.266 181 P C -0.714 176.474 177.300 -0.187 0.000 1.195 181 P CA -0.212 62.807 63.100 -0.135 0.000 0.768 181 P CB 0.527 32.121 31.700 -0.176 0.000 0.838 182 S N 2.250 117.890 115.700 -0.100 0.000 2.614 182 S HA 0.338 4.807 4.470 -0.002 0.000 0.265 182 S C -0.639 173.887 174.600 -0.125 0.000 1.303 182 S CA -0.261 57.939 58.200 0.001 0.000 1.000 182 S CB 0.056 63.338 63.200 0.137 0.000 0.935 182 S HN 0.270 nan 8.310 nan 0.000 0.551 183 Y N -0.134 120.196 120.300 0.049 0.000 2.352 183 Y HA 0.514 5.063 4.550 -0.002 0.000 0.339 183 Y C 0.612 176.461 175.900 -0.085 0.000 0.992 183 Y CA -0.905 57.203 58.100 0.014 0.000 1.100 183 Y CB 1.300 39.764 38.460 0.008 0.000 1.192 183 Y HN 0.671 nan 8.280 nan 0.000 0.458 184 R N 3.199 123.682 120.500 -0.029 0.000 2.234 184 R HA 0.296 4.635 4.340 -0.002 0.000 0.324 184 R C -0.003 176.085 176.300 -0.353 0.000 1.054 184 R CA 0.026 55.844 56.100 -0.469 0.000 0.912 184 R CB 0.215 30.076 30.300 -0.731 0.000 1.030 184 R HN 0.733 nan 8.270 nan 0.000 0.455 185 I N 2.021 122.284 120.570 -0.512 0.000 2.810 185 I HA 0.031 4.200 4.170 -0.002 0.000 0.262 185 I C 0.928 176.862 176.117 -0.305 0.000 1.131 185 I CA 0.822 61.932 61.300 -0.317 0.000 1.453 185 I CB -0.679 37.092 38.000 -0.382 0.000 1.161 185 I HN 0.655 nan 8.210 nan 0.000 0.444 186 T N -3.645 110.593 114.554 -0.526 0.000 2.908 186 T HA 0.424 4.773 4.350 -0.002 0.000 0.290 186 T C -0.658 173.760 174.700 -0.470 0.000 1.034 186 T CA -0.479 61.406 62.100 -0.357 0.000 1.010 186 T CB 2.000 70.630 68.868 -0.396 0.000 1.068 186 T HN 0.178 nan 8.240 nan 0.000 0.481 187 W N 0.142 121.326 121.300 -0.194 0.000 2.518 187 W HA 0.229 4.888 4.660 -0.002 0.000 0.352 187 W C 1.924 178.376 176.519 -0.112 0.000 0.952 187 W CA -0.111 57.152 57.345 -0.137 0.000 1.624 187 W CB 0.144 29.549 29.460 -0.093 0.000 1.135 187 W HN 0.919 nan 8.180 nan 0.000 0.540 188 T N -2.599 111.984 114.554 0.047 0.000 3.067 188 T HA 0.222 4.571 4.350 -0.002 0.000 0.257 188 T C 1.389 176.070 174.700 -0.031 0.000 1.105 188 T CA 0.398 62.507 62.100 0.016 0.000 1.104 188 T CB -0.325 68.544 68.868 0.003 0.000 0.925 188 T HN 0.013 nan 8.240 nan 0.000 0.498 189 G N 1.182 109.932 108.800 -0.084 0.000 2.391 189 G HA2 0.356 4.314 3.960 -0.002 0.000 0.234 189 G HA3 0.356 4.314 3.960 -0.002 0.000 0.234 189 G C -0.597 174.229 174.900 -0.124 0.000 1.284 189 G CA -0.334 44.691 45.100 -0.124 0.000 0.873 189 G HN 0.565 nan 8.290 nan 0.000 0.549 190 K N 1.248 121.551 120.400 -0.162 0.000 2.575 190 K HA 0.161 4.480 4.320 -0.002 0.000 0.255 190 K C -0.382 176.085 176.600 -0.222 0.000 0.953 190 K CA -0.675 55.520 56.287 -0.154 0.000 0.840 190 K CB 1.653 34.097 32.500 -0.094 0.000 1.303 190 K HN 0.644 nan 8.250 nan 0.000 0.438 191 E N 3.109 123.194 120.200 -0.193 0.000 2.652 191 E HA -0.135 4.214 4.350 -0.002 0.000 0.255 191 E C -0.584 175.918 176.600 -0.163 0.000 0.952 191 E CA 0.945 57.233 56.400 -0.188 0.000 0.947 191 E CB 0.244 29.872 29.700 -0.119 0.000 0.912 191 E HN 0.600 nan 8.360 nan 0.000 0.489 192 D N 2.411 122.690 120.400 -0.201 0.000 3.077 192 D HA -0.237 4.401 4.640 -0.002 0.000 0.217 192 D C 0.280 176.603 176.300 0.038 0.000 1.162 192 D CA 1.524 55.526 54.000 0.004 0.000 0.943 192 D CB -0.930 39.922 40.800 0.088 0.000 1.122 192 D HN 0.517 nan 8.370 nan 0.000 0.413 193 I N -1.090 119.408 120.570 -0.119 0.000 3.685 193 I HA 0.099 4.268 4.170 -0.002 0.000 0.258 193 I C 0.453 176.604 176.117 0.057 0.000 1.135 193 I CA -0.003 61.315 61.300 0.029 0.000 1.436 193 I CB 0.649 38.655 38.000 0.010 0.000 1.670 193 I HN -0.156 nan 8.210 nan 0.000 0.424 194 I N 1.453 121.962 120.570 -0.101 0.000 2.362 194 I HA 0.273 4.442 4.170 -0.002 0.000 0.289 194 I C -1.463 174.584 176.117 -0.117 0.000 0.994 194 I CA -0.441 60.867 61.300 0.013 0.000 1.158 194 I CB 0.912 38.918 38.000 0.010 0.000 1.315 194 I HN 0.053 nan 8.210 nan 0.000 0.451 195 Y N 4.571 124.947 120.300 0.127 0.000 2.328 195 Y HA 0.385 4.934 4.550 -0.002 0.000 0.333 195 Y C 0.374 176.320 175.900 0.077 0.000 0.958 195 Y CA -0.873 57.298 58.100 0.119 0.000 1.167 195 Y CB 0.987 39.579 38.460 0.220 0.000 1.151 195 Y HN 0.411 nan 8.280 nan 0.000 0.470 196 N N 2.292 121.031 118.700 0.065 0.000 2.444 196 N HA 0.332 5.071 4.740 -0.002 0.000 0.262 196 N C 0.852 176.272 175.510 -0.150 0.000 0.974 196 N CA 0.439 53.448 53.050 -0.070 0.000 0.933 196 N CB 1.821 40.169 38.487 -0.233 0.000 1.137 196 N HN 1.005 nan 8.380 nan 0.000 0.498 197 G N 1.700 110.429 108.800 -0.118 0.000 2.184 197 G HA2 -0.267 3.692 3.960 -0.002 0.000 0.264 197 G HA3 -0.267 3.692 3.960 -0.002 0.000 0.264 197 G C 0.107 174.863 174.900 -0.240 0.000 0.975 197 G CA 0.726 45.701 45.100 -0.209 0.000 0.642 197 G HN 0.655 nan 8.290 nan 0.000 0.536 198 I N -1.435 119.055 120.570 -0.133 0.000 2.828 198 I HA 0.780 4.949 4.170 -0.002 0.000 0.302 198 I C 0.420 176.530 176.117 -0.012 0.000 1.101 198 I CA -0.711 60.418 61.300 -0.286 0.000 1.031 198 I CB 2.005 39.646 38.000 -0.599 0.000 1.231 198 I HN 0.154 nan 8.210 nan 0.000 0.427 199 T N -0.247 114.229 114.554 -0.130 0.000 2.882 199 T HA 0.366 4.715 4.350 -0.002 0.000 0.287 199 T C -0.188 174.269 174.700 -0.405 0.000 1.014 199 T CA -0.656 61.226 62.100 -0.364 0.000 1.049 199 T CB 1.092 69.859 68.868 -0.168 0.000 1.001 199 T HN 0.765 nan 8.240 nan 0.000 0.525 200 D N 0.296 120.200 120.400 -0.827 0.000 2.478 200 D HA 0.065 4.704 4.640 -0.002 0.000 0.269 200 D C 0.977 177.200 176.300 -0.128 0.000 1.232 200 D CA -1.160 52.417 54.000 -0.706 0.000 1.059 200 D CB 0.065 40.371 40.800 -0.824 0.000 1.104 200 D HN 0.718 nan 8.370 nan 0.000 0.566 201 W N 0.219 121.458 121.300 -0.101 0.000 2.315 201 W HA -0.257 4.402 4.660 -0.002 0.000 0.323 201 W C 2.202 178.643 176.519 -0.131 0.000 1.233 201 W CA 2.547 59.837 57.345 -0.091 0.000 1.267 201 W CB -0.482 28.863 29.460 -0.192 0.000 1.160 201 W HN 0.189 nan 8.180 nan 0.000 0.474 202 V N -0.064 120.002 119.914 0.254 0.000 2.407 202 V HA -0.319 3.800 4.120 -0.002 0.000 0.248 202 V C 1.914 177.913 176.094 -0.158 0.000 1.055 202 V CA 2.144 64.481 62.300 0.062 0.000 1.049 202 V CB -0.778 31.055 31.823 0.017 0.000 0.662 202 V HN 0.327 nan 8.190 nan 0.000 0.455 203 Y N 0.465 120.646 120.300 -0.198 0.000 2.314 203 Y HA -0.142 4.407 4.550 -0.002 0.000 0.293 203 Y C 2.573 178.415 175.900 -0.096 0.000 1.129 203 Y CA 1.985 59.985 58.100 -0.166 0.000 1.201 203 Y CB -0.073 38.198 38.460 -0.315 0.000 0.999 203 Y HN 0.380 nan 8.280 nan 0.000 0.541 204 E N 0.311 120.500 120.200 -0.019 0.000 2.031 204 E HA -0.284 4.065 4.350 -0.002 0.000 0.193 204 E C 2.021 178.577 176.600 -0.074 0.000 0.994 204 E CA 1.542 57.938 56.400 -0.007 0.000 0.800 204 E CB 0.038 29.724 29.700 -0.023 0.000 0.752 204 E HN 0.453 nan 8.360 nan 0.000 0.447 205 E N 0.290 120.271 120.200 -0.364 0.000 2.028 205 E HA -0.156 4.192 4.350 -0.002 0.000 0.190 205 E C 1.822 178.319 176.600 -0.171 0.000 0.984 205 E CA 1.531 57.702 56.400 -0.381 0.000 0.800 205 E CB 0.072 29.211 29.700 -0.935 0.000 0.758 205 E HN 0.163 nan 8.360 nan 0.000 0.448 206 E N -0.462 119.619 120.200 -0.199 0.000 2.340 206 E HA 0.052 4.400 4.350 -0.002 0.000 0.194 206 E C 1.891 178.373 176.600 -0.197 0.000 0.996 206 E CA 0.489 56.810 56.400 -0.130 0.000 0.869 206 E CB 0.717 30.333 29.700 -0.140 0.000 0.835 206 E HN 0.228 nan 8.360 nan 0.000 0.493 207 V N -0.563 119.195 119.914 -0.259 0.000 2.784 207 V HA 0.050 4.169 4.120 -0.002 0.000 0.231 207 V C 1.355 177.242 176.094 -0.345 0.000 1.128 207 V CA 0.736 62.795 62.300 -0.402 0.000 1.178 207 V CB -0.255 31.197 31.823 -0.619 0.000 0.943 207 V HN 0.020 nan 8.190 nan 0.000 0.500 208 F N 0.396 120.368 119.950 0.037 0.000 2.695 208 F HA 0.341 4.867 4.527 -0.002 0.000 0.303 208 F C 1.498 177.270 175.800 -0.047 0.000 1.091 208 F CA -0.007 58.032 58.000 0.066 0.000 1.300 208 F CB -0.163 38.933 39.000 0.160 0.000 1.071 208 F HN 0.029 nan 8.300 nan 0.000 0.578 209 S N 1.142 116.856 115.700 0.023 0.000 3.427 209 S HA -0.004 4.464 4.470 -0.002 0.000 0.373 209 S C 0.052 174.293 174.600 -0.599 0.000 0.973 209 S CA 0.497 58.544 58.200 -0.255 0.000 1.218 209 S CB -1.441 61.657 63.200 -0.169 0.000 0.912 209 S HN 0.617 nan 8.310 nan 0.000 0.483 210 A N -0.215 122.447 122.820 -0.264 0.000 2.594 210 A HA 0.626 4.945 4.320 -0.002 0.000 0.296 210 A C -0.218 177.336 177.584 -0.049 0.000 1.056 210 A CA -0.538 51.368 52.037 -0.219 0.000 0.693 210 A CB 0.276 19.139 19.000 -0.229 0.000 1.278 210 A HN 0.252 nan 8.150 nan 0.000 0.408 211 Y N 1.747 121.890 120.300 -0.261 0.000 2.314 211 Y HA 0.085 4.634 4.550 -0.002 0.000 0.293 211 Y C 1.707 177.311 175.900 -0.494 0.000 1.129 211 Y CA 1.396 59.329 58.100 -0.278 0.000 1.201 211 Y CB -0.027 38.293 38.460 -0.234 0.000 0.999 211 Y HN 0.742 nan 8.280 nan 0.000 0.541 212 S N 0.528 115.717 115.700 -0.852 0.000 2.533 212 S HA 0.400 4.869 4.470 -0.002 0.000 0.282 212 S C 0.381 174.469 174.600 -0.855 0.000 1.304 212 S CA 0.078 57.561 58.200 -1.194 0.000 1.063 212 S CB 0.572 62.768 63.200 -1.672 0.000 0.881 212 S HN 0.400 nan 8.310 nan 0.000 0.493 213 A N 5.813 128.137 122.820 -0.827 0.000 2.705 213 A HA 0.493 4.812 4.320 -0.002 0.000 0.294 213 A C -0.324 176.516 177.584 -1.240 0.000 1.039 213 A CA -0.522 50.930 52.037 -0.974 0.000 1.005 213 A CB -0.020 18.831 19.000 -0.247 0.000 1.192 213 A HN 0.750 nan 8.150 nan 0.000 0.513 214 L N 0.327 120.767 121.223 -1.304 0.000 2.346 214 L HA 0.579 4.918 4.340 -0.002 0.000 0.276 214 L C -1.090 175.304 176.870 -0.793 0.000 1.006 214 L CA -0.562 53.822 54.840 -0.761 0.000 0.817 214 L CB 1.801 43.655 42.059 -0.341 0.000 1.272 214 L HN 0.445 nan 8.230 nan 0.000 0.421 215 W N 2.538 123.868 121.300 0.050 0.000 2.604 215 W HA 0.204 4.863 4.660 -0.002 0.000 0.302 215 W C -1.132 175.574 176.519 0.311 0.000 1.013 215 W CA -1.092 56.408 57.345 0.260 0.000 1.338 215 W CB 1.074 30.753 29.460 0.365 0.000 1.233 215 W HN 0.508 nan 8.180 nan 0.000 0.390 216 W N 2.366 123.854 121.300 0.314 0.000 2.181 216 W HA 0.195 4.854 4.660 -0.002 0.000 0.335 216 W C 1.399 177.711 176.519 -0.345 0.000 1.310 216 W CA 0.510 57.896 57.345 0.068 0.000 1.226 216 W CB 0.681 30.166 29.460 0.042 0.000 1.155 216 W HN 0.187 nan 8.180 nan 0.000 0.565 217 S N 2.720 118.111 115.700 -0.516 0.000 2.585 217 S HA 0.164 4.633 4.470 -0.002 0.000 0.273 217 S C -1.705 172.677 174.600 -0.362 0.000 1.339 217 S CA -1.019 56.464 58.200 -1.195 0.000 1.028 217 S CB 1.244 63.778 63.200 -1.111 0.000 0.906 217 S HN 0.290 nan 8.310 nan 0.000 0.528 218 P HA -0.082 nan 4.420 nan 0.000 0.218 218 P C 1.263 178.534 177.300 -0.047 0.000 1.148 218 P CA 0.966 64.038 63.100 -0.047 0.000 0.822 218 P CB -0.046 31.668 31.700 0.023 0.000 0.784 219 N N -1.114 117.545 118.700 -0.069 0.000 2.084 219 N HA -0.108 4.631 4.740 -0.002 0.000 0.190 219 N C 1.559 177.012 175.510 -0.096 0.000 1.030 219 N CA 2.095 55.104 53.050 -0.067 0.000 0.849 219 N CB -0.640 37.806 38.487 -0.070 0.000 1.012 219 N HN 0.207 nan 8.380 nan 0.000 0.423 220 G N -2.391 106.363 108.800 -0.077 0.000 2.218 220 G HA2 -0.250 3.709 3.960 -0.002 0.000 0.216 220 G HA3 -0.250 3.709 3.960 -0.002 0.000 0.216 220 G C 1.154 176.094 174.900 0.067 0.000 0.994 220 G CA 0.805 45.879 45.100 -0.043 0.000 0.637 220 G HN 0.364 nan 8.290 nan 0.000 0.505 221 T N 0.508 114.996 114.554 -0.110 0.000 2.720 221 T HA 0.128 4.477 4.350 -0.002 0.000 0.268 221 T C 0.771 175.256 174.700 -0.359 0.000 1.037 221 T CA 1.498 63.400 62.100 -0.330 0.000 1.144 221 T CB -0.130 68.359 68.868 -0.632 0.000 0.864 221 T HN 0.309 nan 8.240 nan 0.000 0.444 222 F N -0.149 119.836 119.950 0.057 0.000 2.507 222 F HA 0.587 5.113 4.527 -0.002 0.000 0.327 222 F C -0.065 175.763 175.800 0.047 0.000 1.068 222 F CA -1.567 56.481 58.000 0.080 0.000 0.965 222 F CB 1.217 40.315 39.000 0.164 0.000 1.192 222 F HN -0.122 nan 8.300 nan 0.000 0.476 223 L N 2.696 124.036 121.223 0.195 0.000 2.345 223 L HA 0.657 4.996 4.340 -0.002 0.000 0.274 223 L C -0.702 176.248 176.870 0.135 0.000 0.999 223 L CA -0.604 54.183 54.840 -0.089 0.000 0.849 223 L CB 0.877 42.695 42.059 -0.401 0.000 1.220 223 L HN 0.792 nan 8.230 nan 0.000 0.422 224 A N 5.152 128.147 122.820 0.291 0.000 2.331 224 A HA 0.628 4.947 4.320 -0.002 0.000 0.283 224 A C -1.159 176.479 177.584 0.089 0.000 1.142 224 A CA -0.197 51.905 52.037 0.108 0.000 0.812 224 A CB 0.507 19.720 19.000 0.356 0.000 1.074 224 A HN 0.698 nan 8.150 nan 0.000 0.497 225 Y N -1.124 118.931 120.300 -0.409 0.000 2.609 225 Y HA 0.770 5.319 4.550 -0.002 0.000 0.336 225 Y C -0.348 175.292 175.900 -0.434 0.000 1.129 225 Y CA -1.025 56.915 58.100 -0.267 0.000 1.040 225 Y CB 0.921 39.228 38.460 -0.255 0.000 1.310 225 Y HN 0.891 nan 8.280 nan 0.000 0.460 226 A N 2.088 124.938 122.820 0.050 0.000 2.337 226 A HA 0.679 4.997 4.320 -0.002 0.000 0.331 226 A C -1.236 176.278 177.584 -0.116 0.000 1.137 226 A CA -0.878 51.086 52.037 -0.123 0.000 0.807 226 A CB 1.792 20.685 19.000 -0.179 0.000 1.250 226 A HN 0.822 nan 8.150 nan 0.000 0.468 227 Q N 0.919 120.599 119.800 -0.201 0.000 2.340 227 Q HA 0.632 4.971 4.340 -0.002 0.000 0.268 227 Q C -2.031 173.741 176.000 -0.381 0.000 1.031 227 Q CA -0.384 55.360 55.803 -0.100 0.000 0.804 227 Q CB 1.130 29.990 28.738 0.204 0.000 1.286 227 Q HN 0.602 nan 8.270 nan 0.000 0.448 228 F N 2.197 122.233 119.950 0.143 0.000 2.495 228 F HA 0.415 4.940 4.527 -0.002 0.000 0.327 228 F C 0.339 176.275 175.800 0.226 0.000 1.103 228 F CA -0.932 57.135 58.000 0.111 0.000 0.949 228 F CB 1.511 40.492 39.000 -0.032 0.000 1.142 228 F HN 0.424 nan 8.300 nan 0.000 0.457 229 N N 1.831 120.740 118.700 0.348 0.000 2.479 229 N HA 0.217 4.956 4.740 -0.002 0.000 0.261 229 N C -1.123 174.551 175.510 0.273 0.000 0.979 229 N CA -0.320 52.896 53.050 0.276 0.000 0.930 229 N CB 1.110 39.706 38.487 0.181 0.000 1.172 229 N HN 0.574 nan 8.380 nan 0.000 0.499 230 D N 1.643 122.225 120.400 0.303 0.000 2.615 230 D HA 0.186 4.824 4.640 -0.002 0.000 0.236 230 D C 1.006 177.418 176.300 0.187 0.000 1.233 230 D CA 0.070 54.231 54.000 0.270 0.000 0.829 230 D CB 0.626 41.657 40.800 0.385 0.000 1.024 230 D HN 0.452 nan 8.370 nan 0.000 0.490 231 T N -0.177 114.465 114.554 0.146 0.000 2.708 231 T HA -0.135 4.214 4.350 -0.002 0.000 0.266 231 T C 1.391 176.143 174.700 0.086 0.000 1.037 231 T CA 1.127 63.288 62.100 0.102 0.000 1.146 231 T CB 0.022 68.939 68.868 0.082 0.000 0.865 231 T HN 0.236 nan 8.240 nan 0.000 0.435 232 E N 0.513 120.764 120.200 0.085 0.000 2.463 232 E HA 0.160 4.509 4.350 -0.002 0.000 0.193 232 E C -0.429 176.216 176.600 0.075 0.000 1.041 232 E CA -0.250 56.191 56.400 0.068 0.000 0.879 232 E CB 0.477 30.211 29.700 0.057 0.000 0.997 232 E HN 0.186 nan 8.360 nan 0.000 0.478 233 V N 3.673 123.644 119.914 0.096 0.000 2.508 233 V HA 0.087 4.206 4.120 -0.002 0.000 0.281 233 V C -1.991 174.155 176.094 0.087 0.000 1.041 233 V CA -1.466 60.895 62.300 0.102 0.000 1.016 233 V CB 0.306 32.208 31.823 0.132 0.000 0.984 233 V HN 0.062 nan 8.190 nan 0.000 0.478 234 P HA 0.322 nan 4.420 nan 0.000 0.272 234 P C -0.828 176.505 177.300 0.054 0.000 1.223 234 P CA -0.334 62.800 63.100 0.057 0.000 0.784 234 P CB 0.568 32.301 31.700 0.055 0.000 0.923 235 L N 2.039 123.273 121.223 0.018 0.000 2.317 235 L HA 0.457 4.796 4.340 -0.002 0.000 0.281 235 L C 0.245 177.065 176.870 -0.083 0.000 1.024 235 L CA -0.885 53.947 54.840 -0.013 0.000 0.810 235 L CB 1.166 43.215 42.059 -0.017 0.000 1.240 235 L HN 0.280 nan 8.230 nan 0.000 0.427 236 I N 2.479 122.952 120.570 -0.162 0.000 2.342 236 I HA 0.233 4.402 4.170 -0.002 0.000 0.291 236 I C -0.358 175.611 176.117 -0.246 0.000 1.010 236 I CA 0.261 61.376 61.300 -0.308 0.000 1.308 236 I CB 0.691 38.266 38.000 -0.709 0.000 1.400 236 I HN 0.563 nan 8.210 nan 0.000 0.488 237 E N 7.658 127.738 120.200 -0.201 0.000 2.176 237 E HA 0.476 4.825 4.350 -0.002 0.000 0.267 237 E C -1.674 174.866 176.600 -0.101 0.000 0.893 237 E CA -0.549 55.736 56.400 -0.192 0.000 0.761 237 E CB 1.812 31.427 29.700 -0.141 0.000 1.133 237 E HN 0.579 nan 8.360 nan 0.000 0.409 238 Y N -1.378 118.831 120.300 -0.152 0.000 2.655 238 Y HA 0.607 5.156 4.550 -0.002 0.000 0.336 238 Y C -0.607 175.215 175.900 -0.129 0.000 1.154 238 Y CA -1.309 56.706 58.100 -0.141 0.000 1.055 238 Y CB 0.924 39.307 38.460 -0.128 0.000 1.295 238 Y HN 0.177 nan 8.280 nan 0.000 0.465 239 S N 1.347 117.051 115.700 0.007 0.000 2.554 239 S HA 0.549 5.018 4.470 -0.002 0.000 0.278 239 S C -1.623 172.837 174.600 -0.233 0.000 1.242 239 S CA -0.470 57.581 58.200 -0.247 0.000 1.051 239 S CB 0.438 63.339 63.200 -0.498 0.000 0.986 239 S HN 0.532 nan 8.310 nan 0.000 0.502 240 F N 2.662 122.364 119.950 -0.414 0.000 2.499 240 F HA 0.422 4.948 4.527 -0.002 0.000 0.333 240 F C -0.399 175.225 175.800 -0.294 0.000 1.138 240 F CA -0.733 57.110 58.000 -0.261 0.000 0.945 240 F CB 0.801 39.775 39.000 -0.044 0.000 1.181 240 F HN 0.660 nan 8.300 nan 0.000 0.435 241 Y N 2.692 122.806 120.300 -0.311 0.000 2.448 241 Y HA 0.143 4.692 4.550 -0.002 0.000 0.289 241 Y C 1.680 177.520 175.900 -0.099 0.000 1.114 241 Y CA 1.008 59.010 58.100 -0.162 0.000 1.235 241 Y CB -0.628 37.720 38.460 -0.185 0.000 1.045 241 Y HN 0.729 nan 8.280 nan 0.000 0.554 242 S N -0.236 115.412 115.700 -0.087 0.000 3.443 242 S HA -0.262 4.207 4.470 -0.002 0.000 0.635 242 S C -0.465 174.189 174.600 0.091 0.000 2.555 242 S CA 0.309 58.594 58.200 0.141 0.000 2.778 242 S CB -1.219 62.152 63.200 0.285 0.000 0.331 242 S HN 0.500 nan 8.310 nan 0.000 1.765 243 D N 1.391 121.859 120.400 0.113 0.000 2.368 243 D HA 0.292 4.931 4.640 -0.002 0.000 0.240 243 D C 1.396 177.732 176.300 0.060 0.000 1.169 243 D CA 0.405 54.450 54.000 0.076 0.000 0.906 243 D CB 0.220 41.066 40.800 0.076 0.000 1.187 243 D HN 0.541 nan 8.370 nan 0.000 0.435 244 E N 0.438 120.660 120.200 0.038 0.000 2.086 244 E HA -0.295 4.054 4.350 -0.002 0.000 0.200 244 E C 1.769 178.386 176.600 0.028 0.000 1.012 244 E CA 1.620 58.034 56.400 0.023 0.000 0.812 244 E CB -0.013 29.695 29.700 0.012 0.000 0.743 244 E HN 0.520 nan 8.360 nan 0.000 0.453 245 S N 0.305 116.026 115.700 0.036 0.000 2.462 245 S HA -0.168 4.300 4.470 -0.002 0.000 0.243 245 S C 1.144 175.775 174.600 0.052 0.000 1.003 245 S CA 0.347 58.570 58.200 0.039 0.000 0.970 245 S CB -0.295 62.929 63.200 0.041 0.000 0.762 245 S HN 0.261 nan 8.310 nan 0.000 0.510 246 L N 2.351 123.613 121.223 0.066 0.000 2.433 246 L HA 0.143 4.482 4.340 -0.002 0.000 0.284 246 L C 1.634 178.553 176.870 0.081 0.000 1.120 246 L CA 0.038 54.931 54.840 0.089 0.000 0.879 246 L CB 0.578 42.704 42.059 0.112 0.000 1.232 246 L HN 0.510 nan 8.230 nan 0.000 0.454 247 Q N 4.158 124.013 119.800 0.092 0.000 2.030 247 Q HA -0.171 4.168 4.340 -0.002 0.000 0.204 247 Q C -0.543 175.433 176.000 -0.040 0.000 0.986 247 Q CA 1.813 57.641 55.803 0.041 0.000 0.843 247 Q CB 0.120 28.931 28.738 0.122 0.000 0.904 247 Q HN 0.570 nan 8.270 nan 0.000 0.420 248 Y N 0.203 120.521 120.300 0.031 0.000 2.377 248 Y HA 0.396 4.945 4.550 -0.002 0.000 0.339 248 Y C -2.049 173.873 175.900 0.037 0.000 1.011 248 Y CA -3.141 54.976 58.100 0.029 0.000 1.093 248 Y CB 1.166 39.633 38.460 0.012 0.000 1.201 248 Y HN 0.151 nan 8.280 nan 0.000 0.455 249 P HA 0.074 nan 4.420 nan 0.000 0.271 249 P C -0.346 176.979 177.300 0.043 0.000 1.216 249 P CA -0.442 62.708 63.100 0.082 0.000 0.776 249 P CB 0.748 32.457 31.700 0.015 0.000 0.881 250 K N 1.391 121.809 120.400 0.029 0.000 2.126 250 K HA 0.340 4.659 4.320 -0.002 0.000 0.257 250 K C -0.197 176.368 176.600 -0.058 0.000 1.007 250 K CA 0.011 56.305 56.287 0.011 0.000 0.928 250 K CB 0.624 33.156 32.500 0.053 0.000 1.013 250 K HN 0.379 nan 8.250 nan 0.000 0.473 251 T N 1.591 116.093 114.554 -0.087 0.000 2.794 251 T HA 0.318 4.666 4.350 -0.002 0.000 0.280 251 T C -0.420 174.152 174.700 -0.212 0.000 0.987 251 T CA -0.631 61.377 62.100 -0.153 0.000 0.993 251 T CB 1.352 70.144 68.868 -0.126 0.000 0.939 251 T HN 0.151 nan 8.240 nan 0.000 0.449 252 V N 4.671 124.350 119.914 -0.392 0.000 2.439 252 V HA 0.497 4.616 4.120 -0.002 0.000 0.282 252 V C 0.290 176.111 176.094 -0.455 0.000 1.039 252 V CA -0.736 61.272 62.300 -0.486 0.000 0.913 252 V CB 1.150 32.475 31.823 -0.830 0.000 0.983 252 V HN 0.710 nan 8.190 nan 0.000 0.460 253 R N 3.279 123.641 120.500 -0.230 0.000 2.409 253 R HA 0.721 5.060 4.340 -0.002 0.000 0.313 253 R C -1.619 174.657 176.300 -0.040 0.000 0.953 253 R CA -0.504 55.509 56.100 -0.146 0.000 0.849 253 R CB 2.188 32.434 30.300 -0.089 0.000 1.171 253 R HN 0.547 nan 8.270 nan 0.000 0.458 254 V N 4.473 124.357 119.914 -0.051 0.000 2.531 254 V HA 0.346 4.465 4.120 -0.002 0.000 0.301 254 V C -2.351 173.767 176.094 0.041 0.000 1.034 254 V CA -2.470 59.851 62.300 0.035 0.000 0.865 254 V CB 2.122 33.895 31.823 -0.084 0.000 0.995 254 V HN 0.621 nan 8.190 nan 0.000 0.424 255 P HA 0.196 nan 4.420 nan 0.000 0.269 255 P C -1.333 176.057 177.300 0.150 0.000 1.252 255 P CA 0.266 63.458 63.100 0.153 0.000 0.780 255 P CB -0.197 31.641 31.700 0.230 0.000 0.829 256 Y N 6.362 126.627 120.300 -0.059 0.000 2.298 256 Y HA 0.381 4.930 4.550 -0.002 0.000 0.322 256 Y C -2.827 173.038 175.900 -0.058 0.000 1.138 256 Y CA -2.876 55.140 58.100 -0.140 0.000 1.127 256 Y CB 1.799 40.045 38.460 -0.357 0.000 1.178 256 Y HN 0.265 nan 8.280 nan 0.000 0.428 257 P HA 0.275 nan 4.420 nan 0.000 0.291 257 P C -0.921 176.414 177.300 0.059 0.000 1.340 257 P CA -0.239 62.897 63.100 0.059 0.000 0.799 257 P CB 1.225 32.948 31.700 0.039 0.000 0.917 258 K N 2.012 122.543 120.400 0.218 0.000 2.138 258 K HA 0.470 4.789 4.320 -0.002 0.000 0.251 258 K C 0.607 177.309 176.600 0.169 0.000 1.015 258 K CA -0.658 55.779 56.287 0.249 0.000 0.917 258 K CB 0.558 33.227 32.500 0.281 0.000 1.021 258 K HN 0.463 nan 8.250 nan 0.000 0.485 259 A N 0.785 123.731 122.820 0.210 0.000 2.598 259 A HA 0.228 4.547 4.320 -0.002 0.000 0.239 259 A C 1.291 178.930 177.584 0.091 0.000 1.032 259 A CA 1.124 53.275 52.037 0.189 0.000 0.760 259 A CB -1.095 18.105 19.000 0.334 0.000 0.946 259 A HN 0.928 nan 8.150 nan 0.000 0.512 260 G N 1.088 109.925 108.800 0.062 0.000 2.284 260 G HA2 0.071 4.030 3.960 -0.002 0.000 0.247 260 G HA3 0.071 4.030 3.960 -0.002 0.000 0.247 260 G C 0.866 175.784 174.900 0.030 0.000 1.012 260 G CA 0.906 46.017 45.100 0.017 0.000 0.618 260 G HN 2.259 nan 8.290 nan 0.000 0.521 261 A N -0.119 122.734 122.820 0.054 0.000 2.281 261 A HA 0.647 4.966 4.320 -0.002 0.000 0.271 261 A C 0.908 178.523 177.584 0.052 0.000 1.196 261 A CA 0.606 52.676 52.037 0.055 0.000 0.807 261 A CB 0.249 19.295 19.000 0.076 0.000 1.138 261 A HN 1.202 nan 8.150 nan 0.000 0.506 262 V N 1.495 121.441 119.914 0.053 0.000 2.508 262 V HA 0.088 4.207 4.120 -0.002 0.000 0.281 262 V C 0.485 176.621 176.094 0.070 0.000 1.041 262 V CA 0.029 62.360 62.300 0.051 0.000 1.016 262 V CB 0.119 31.971 31.823 0.049 0.000 0.984 262 V HN 0.830 nan 8.190 nan 0.000 0.478 263 N N 5.427 124.166 118.700 0.065 0.000 2.492 263 N HA 0.431 5.170 4.740 -0.002 0.000 0.289 263 N C -2.521 173.064 175.510 0.125 0.000 1.133 263 N CA -1.381 51.730 53.050 0.101 0.000 0.961 263 N CB 1.344 39.874 38.487 0.071 0.000 1.186 263 N HN 0.476 nan 8.380 nan 0.000 0.493 264 P HA 0.006 nan 4.420 nan 0.000 0.268 264 P C -0.570 176.868 177.300 0.230 0.000 1.205 264 P CA -0.064 63.185 63.100 0.249 0.000 0.771 264 P CB 0.406 32.311 31.700 0.342 0.000 0.858 265 T N -0.146 114.512 114.554 0.175 0.000 2.899 265 T HA 0.484 4.833 4.350 -0.002 0.000 0.284 265 T C 0.048 174.838 174.700 0.150 0.000 1.004 265 T CA -0.748 61.414 62.100 0.104 0.000 1.043 265 T CB 1.410 70.320 68.868 0.070 0.000 1.013 265 T HN 0.325 nan 8.240 nan 0.000 0.518 266 V N 0.526 120.499 119.914 0.098 0.000 2.876 266 V HA 0.728 4.847 4.120 -0.002 0.000 0.312 266 V C -1.393 174.762 176.094 0.102 0.000 1.085 266 V CA -0.905 61.419 62.300 0.041 0.000 0.945 266 V CB 2.052 33.925 31.823 0.082 0.000 1.017 266 V HN 0.986 nan 8.190 nan 0.000 0.428 267 K N 4.451 124.859 120.400 0.013 0.000 2.498 267 K HA 0.500 4.819 4.320 -0.002 0.000 0.254 267 K C -1.963 174.554 176.600 -0.139 0.000 0.933 267 K CA -0.453 55.821 56.287 -0.021 0.000 0.806 267 K CB 2.820 35.332 32.500 0.020 0.000 1.301 267 K HN 0.568 nan 8.250 nan 0.000 0.432 268 F N 2.604 122.264 119.950 -0.484 0.000 2.482 268 F HA 0.558 5.084 4.527 -0.002 0.000 0.331 268 F C -1.246 173.998 175.800 -0.927 0.000 1.115 268 F CA -0.531 57.161 58.000 -0.513 0.000 0.955 268 F CB 0.802 39.623 39.000 -0.300 0.000 1.136 268 F HN 0.381 nan 8.300 nan 0.000 0.452 269 F N 3.599 122.915 119.950 -1.057 0.000 2.620 269 F HA 0.780 5.306 4.527 -0.002 0.000 0.320 269 F C -0.959 174.239 175.800 -1.002 0.000 1.069 269 F CA -1.210 56.236 58.000 -0.922 0.000 0.953 269 F CB 2.051 40.377 39.000 -1.123 0.000 1.322 269 F HN 0.074 nan 8.300 nan 0.000 0.479 270 V N 2.136 121.826 119.914 -0.373 0.000 2.612 270 V HA 0.508 4.627 4.120 -0.002 0.000 0.301 270 V C -0.969 175.162 176.094 0.061 0.000 1.059 270 V CA -0.852 61.296 62.300 -0.254 0.000 0.886 270 V CB 1.714 33.186 31.823 -0.585 0.000 1.007 270 V HN 0.544 nan 8.190 nan 0.000 0.426 271 V N 3.001 123.027 119.914 0.186 0.000 2.472 271 V HA 0.466 4.585 4.120 -0.002 0.000 0.290 271 V C 0.206 176.550 176.094 0.416 0.000 1.037 271 V CA -0.743 61.714 62.300 0.263 0.000 0.908 271 V CB 1.866 33.795 31.823 0.178 0.000 0.985 271 V HN 0.852 nan 8.190 nan 0.000 0.454 272 N N 2.645 121.583 118.700 0.397 0.000 2.415 272 N HA 0.140 4.879 4.740 -0.002 0.000 0.246 272 N C 0.880 176.424 175.510 0.056 0.000 1.078 272 N CA 0.079 53.284 53.050 0.258 0.000 0.942 272 N CB 1.530 40.181 38.487 0.274 0.000 1.140 272 N HN 0.738 nan 8.380 nan 0.000 0.501 273 T N 1.490 116.034 114.554 -0.017 0.000 3.067 273 T HA -0.005 4.343 4.350 -0.002 0.000 0.261 273 T C 0.577 175.227 174.700 -0.083 0.000 1.110 273 T CA 0.630 62.715 62.100 -0.024 0.000 1.113 273 T CB 0.206 69.134 68.868 0.100 0.000 0.917 273 T HN 0.445 nan 8.240 nan 0.000 0.499 274 D N 1.554 121.886 120.400 -0.113 0.000 2.323 274 D HA 0.015 4.654 4.640 -0.002 0.000 0.209 274 D C 1.550 177.807 176.300 -0.071 0.000 0.973 274 D CA 0.497 54.436 54.000 -0.101 0.000 0.874 274 D CB -0.017 40.706 40.800 -0.128 0.000 0.930 274 D HN 0.461 nan 8.370 nan 0.000 0.521 275 S N 0.083 115.752 115.700 -0.051 0.000 2.481 275 S HA 0.292 4.760 4.470 -0.002 0.000 0.243 275 S C 0.144 174.724 174.600 -0.034 0.000 1.152 275 S CA -0.619 57.574 58.200 -0.013 0.000 1.168 275 S CB -0.469 62.758 63.200 0.044 0.000 0.835 275 S HN 0.002 nan 8.310 nan 0.000 0.474 276 L N 2.725 123.874 121.223 -0.124 0.000 2.307 276 L HA 0.651 4.990 4.340 -0.002 0.000 0.284 276 L C 0.087 176.849 176.870 -0.181 0.000 1.023 276 L CA -0.390 54.311 54.840 -0.231 0.000 0.810 276 L CB 1.911 43.641 42.059 -0.548 0.000 1.231 276 L HN 0.571 nan 8.230 nan 0.000 0.423 277 S N -0.344 115.367 115.700 0.018 0.000 2.632 277 S HA 0.385 4.854 4.470 -0.002 0.000 0.289 277 S C 0.283 175.108 174.600 0.376 0.000 1.115 277 S CA -0.346 57.976 58.200 0.203 0.000 0.889 277 S CB 1.866 65.141 63.200 0.125 0.000 1.116 277 S HN 0.567 nan 8.310 nan 0.000 0.486 278 S N 0.160 116.065 115.700 0.342 0.000 2.575 278 S HA 0.152 4.621 4.470 -0.002 0.000 0.215 278 S C 1.086 175.767 174.600 0.134 0.000 0.966 278 S CA 0.111 58.437 58.200 0.210 0.000 0.911 278 S CB -0.408 62.831 63.200 0.065 0.000 0.780 278 S HN 0.565 nan 8.310 nan 0.000 0.514 279 V N 1.368 121.358 119.914 0.127 0.000 2.492 279 V HA 0.081 4.199 4.120 -0.002 0.000 0.241 279 V C 1.149 177.297 176.094 0.090 0.000 1.041 279 V CA 1.073 63.427 62.300 0.090 0.000 1.057 279 V CB -0.831 31.035 31.823 0.072 0.000 0.711 279 V HN 0.472 nan 8.190 nan 0.000 0.468 280 T N 1.069 115.684 114.554 0.101 0.000 2.909 280 T HA 0.327 4.675 4.350 -0.002 0.000 0.286 280 T C -0.132 174.643 174.700 0.124 0.000 1.002 280 T CA -0.328 61.827 62.100 0.091 0.000 1.074 280 T CB 1.001 69.915 68.868 0.078 0.000 0.984 280 T HN 0.164 nan 8.240 nan 0.000 0.495 281 N N 1.095 119.859 118.700 0.107 0.000 2.482 281 N HA 0.459 5.198 4.740 -0.002 0.000 0.260 281 N C -0.070 175.525 175.510 0.140 0.000 1.236 281 N CA -0.191 52.949 53.050 0.151 0.000 0.938 281 N CB 0.411 38.954 38.487 0.093 0.000 1.128 281 N HN 0.826 nan 8.380 nan 0.000 0.448 282 A N 1.045 123.966 122.820 0.168 0.000 2.477 282 A HA 0.280 4.599 4.320 -0.002 0.000 0.246 282 A C -0.111 177.537 177.584 0.107 0.000 1.078 282 A CA 0.143 52.250 52.037 0.118 0.000 0.770 282 A CB -0.116 18.938 19.000 0.090 0.000 1.011 282 A HN 0.560 nan 8.150 nan 0.000 0.494 283 T N 2.773 117.389 114.554 0.105 0.000 2.758 283 T HA 0.487 4.836 4.350 -0.002 0.000 0.285 283 T C -0.016 174.769 174.700 0.142 0.000 0.981 283 T CA -0.141 62.028 62.100 0.114 0.000 0.965 283 T CB 0.949 69.887 68.868 0.116 0.000 0.927 283 T HN 0.556 nan 8.240 nan 0.000 0.448 284 S N 3.190 118.973 115.700 0.139 0.000 2.501 284 S HA 0.559 5.028 4.470 -0.002 0.000 0.301 284 S C -0.122 174.616 174.600 0.230 0.000 1.096 284 S CA -0.855 57.448 58.200 0.171 0.000 1.063 284 S CB 0.672 63.941 63.200 0.115 0.000 1.042 284 S HN 0.480 nan 8.310 nan 0.000 0.494 285 I N 2.766 123.476 120.570 0.233 0.000 2.331 285 I HA 0.308 4.477 4.170 -0.002 0.000 0.292 285 I C 0.493 176.692 176.117 0.136 0.000 0.998 285 I CA -0.323 61.114 61.300 0.228 0.000 1.267 285 I CB 0.958 39.154 38.000 0.328 0.000 1.386 285 I HN 0.660 nan 8.210 nan 0.000 0.476 286 Q N 5.874 125.729 119.800 0.091 0.000 2.279 286 Q HA 0.466 4.805 4.340 -0.002 0.000 0.256 286 Q C -0.987 174.922 176.000 -0.152 0.000 0.937 286 Q CA -0.499 55.162 55.803 -0.236 0.000 0.933 286 Q CB 1.158 29.739 28.738 -0.262 0.000 1.189 286 Q HN 0.538 nan 8.270 nan 0.000 0.417 287 I N 3.916 124.379 120.570 -0.178 0.000 2.312 287 I HA 0.164 4.332 4.170 -0.002 0.000 0.290 287 I C 0.593 176.673 176.117 -0.063 0.000 1.008 287 I CA -0.372 60.888 61.300 -0.067 0.000 1.226 287 I CB 1.522 39.494 38.000 -0.045 0.000 1.371 287 I HN 0.630 nan 8.210 nan 0.000 0.468 288 T N 3.506 118.002 114.554 -0.096 0.000 2.899 288 T HA 0.696 5.045 4.350 -0.002 0.000 0.284 288 T C 0.315 174.835 174.700 -0.300 0.000 1.004 288 T CA -0.844 61.154 62.100 -0.170 0.000 1.043 288 T CB 1.502 70.267 68.868 -0.172 0.000 1.013 288 T HN 0.595 nan 8.240 nan 0.000 0.518 289 A N 2.911 125.328 122.820 -0.671 0.000 2.425 289 A HA 0.550 4.869 4.320 -0.002 0.000 0.242 289 A C -2.140 174.979 177.584 -0.775 0.000 1.077 289 A CA -1.322 49.905 52.037 -1.349 0.000 0.781 289 A CB -1.005 16.829 19.000 -1.944 0.000 1.020 289 A HN 0.768 nan 8.150 nan 0.000 0.494 290 P HA 0.158 nan 4.420 nan 0.000 0.268 290 P C 0.779 177.879 177.300 -0.334 0.000 1.208 290 P CA 0.665 63.545 63.100 -0.367 0.000 0.777 290 P CB 0.559 32.109 31.700 -0.250 0.000 0.875 291 A N 2.036 124.727 122.820 -0.215 0.000 2.024 291 A HA -0.178 4.140 4.320 -0.002 0.000 0.220 291 A C 1.869 179.352 177.584 -0.169 0.000 1.164 291 A CA 2.138 54.067 52.037 -0.180 0.000 0.643 291 A CB -1.551 17.376 19.000 -0.122 0.000 0.806 291 A HN 0.608 nan 8.150 nan 0.000 0.451 292 S N -1.670 113.945 115.700 -0.141 0.000 2.607 292 S HA 0.120 4.589 4.470 -0.002 0.000 0.224 292 S C 1.464 175.980 174.600 -0.141 0.000 0.969 292 S CA 0.808 58.943 58.200 -0.108 0.000 0.927 292 S CB -0.054 63.142 63.200 -0.005 0.000 0.772 292 S HN 0.414 nan 8.310 nan 0.000 0.533 293 M N 0.095 119.542 119.600 -0.255 0.000 2.730 293 M HA 0.353 4.832 4.480 -0.002 0.000 0.258 293 M C 1.155 177.187 176.300 -0.446 0.000 1.279 293 M CA 0.422 55.502 55.300 -0.368 0.000 1.183 293 M CB -0.994 31.232 32.600 -0.624 0.000 1.291 293 M HN 0.297 nan 8.290 nan 0.000 0.518 294 L N 0.722 121.683 121.223 -0.437 0.000 2.450 294 L HA -0.056 4.282 4.340 -0.002 0.000 0.224 294 L C 2.090 178.878 176.870 -0.138 0.000 1.149 294 L CA 1.115 55.784 54.840 -0.286 0.000 0.816 294 L CB -1.237 40.671 42.059 -0.252 0.000 0.932 294 L HN 0.181 nan 8.230 nan 0.000 0.449 295 I N -1.303 119.187 120.570 -0.134 0.000 3.291 295 I HA 0.095 4.264 4.170 -0.002 0.000 0.279 295 I C 1.144 177.227 176.117 -0.057 0.000 1.294 295 I CA 0.385 61.630 61.300 -0.091 0.000 1.428 295 I CB -0.120 37.817 38.000 -0.105 0.000 1.070 295 I HN 0.225 nan 8.210 nan 0.000 0.478 296 G N -1.422 107.362 108.800 -0.028 0.000 2.570 296 G HA2 0.170 4.129 3.960 -0.002 0.000 0.310 296 G HA3 0.170 4.129 3.960 -0.002 0.000 0.310 296 G C -1.647 173.295 174.900 0.071 0.000 1.266 296 G CA -0.700 44.401 45.100 0.003 0.000 0.825 296 G HN -0.121 nan 8.290 nan 0.000 0.483 297 D N 0.687 121.093 120.400 0.010 0.000 2.424 297 D HA 0.528 5.167 4.640 -0.002 0.000 0.244 297 D C 0.207 176.471 176.300 -0.060 0.000 1.134 297 D CA 0.918 54.879 54.000 -0.065 0.000 0.881 297 D CB 0.681 41.409 40.800 -0.119 0.000 1.191 297 D HN 0.655 nan 8.370 nan 0.000 0.445 298 H N -1.284 117.649 119.070 -0.228 0.000 3.014 298 H HA 0.542 5.097 4.556 -0.002 0.000 0.337 298 H C -1.638 173.578 175.328 -0.186 0.000 1.320 298 H CA -0.988 54.952 56.048 -0.179 0.000 1.128 298 H CB 0.291 30.056 29.762 0.004 0.000 1.862 298 H HN 0.256 nan 8.280 nan 0.000 0.536 299 Y N 0.299 120.816 120.300 0.361 0.000 2.549 299 Y HA 0.360 4.909 4.550 -0.002 0.000 0.339 299 Y C -0.285 175.931 175.900 0.526 0.000 1.053 299 Y CA -1.354 56.983 58.100 0.395 0.000 1.105 299 Y CB 1.879 40.426 38.460 0.145 0.000 1.258 299 Y HN 0.552 nan 8.280 nan 0.000 0.478 300 L N 3.429 125.041 121.223 0.649 0.000 2.260 300 L HA 0.212 4.551 4.340 -0.002 0.000 0.289 300 L C 0.420 177.396 176.870 0.176 0.000 1.057 300 L CA -0.200 54.718 54.840 0.131 0.000 0.811 300 L CB 0.440 42.494 42.059 -0.007 0.000 1.184 300 L HN 1.132 nan 8.230 nan 0.000 0.429 301 C N 1.443 120.691 119.300 -0.087 0.000 3.065 301 C HA 0.404 4.863 4.460 -0.002 0.000 0.285 301 C C 0.381 175.195 174.990 -0.293 0.000 1.257 301 C CA -0.465 58.402 59.018 -0.253 0.000 1.691 301 C CB -0.171 27.475 27.740 -0.157 0.000 2.089 301 C HN 0.823 nan 8.230 nan 0.000 0.630 302 D N 0.087 120.372 120.400 -0.192 0.000 2.803 302 D HA 0.466 5.105 4.640 -0.002 0.000 0.218 302 D C -1.870 174.225 176.300 -0.342 0.000 1.245 302 D CA 0.086 54.007 54.000 -0.130 0.000 0.821 302 D CB 2.867 43.569 40.800 -0.163 0.000 1.626 302 D HN 0.077 nan 8.370 nan 0.000 0.487 303 V N 2.128 121.795 119.914 -0.411 0.000 2.569 303 V HA 0.524 4.642 4.120 -0.002 0.000 0.301 303 V C -0.469 175.312 176.094 -0.520 0.000 1.044 303 V CA -0.475 61.353 62.300 -0.787 0.000 0.874 303 V CB 1.906 32.788 31.823 -1.568 0.000 1.002 303 V HN 0.616 nan 8.190 nan 0.000 0.424 304 T N 3.489 117.810 114.554 -0.388 0.000 3.031 304 T HA 0.365 4.713 4.350 -0.002 0.000 0.305 304 T C -0.940 173.681 174.700 -0.131 0.000 0.985 304 T CA -0.406 61.620 62.100 -0.123 0.000 1.008 304 T CB 0.888 69.748 68.868 -0.014 0.000 1.005 304 T HN 0.542 nan 8.240 nan 0.000 0.444 305 W N 2.395 123.662 121.300 -0.056 0.000 2.266 305 W HA 0.489 5.148 4.660 -0.002 0.000 0.317 305 W C 1.168 177.584 176.519 -0.172 0.000 1.310 305 W CA -0.354 56.944 57.345 -0.078 0.000 1.207 305 W CB 0.631 30.120 29.460 0.048 0.000 1.199 305 W HN 0.878 nan 8.180 nan 0.000 0.544 306 A N 2.363 125.067 122.820 -0.193 0.000 1.859 306 A HA 0.113 4.432 4.320 -0.002 0.000 0.212 306 A C 1.068 178.597 177.584 -0.090 0.000 1.238 306 A CA 1.741 53.410 52.037 -0.614 0.000 0.613 306 A CB -0.684 17.484 19.000 -1.387 0.000 0.904 306 A HN 0.534 nan 8.150 nan 0.000 0.457 307 T N -4.971 109.624 114.554 0.069 0.000 2.645 307 T HA 0.365 4.714 4.350 -0.002 0.000 0.273 307 T C 0.434 175.293 174.700 0.264 0.000 0.960 307 T CA -0.265 61.930 62.100 0.157 0.000 1.051 307 T CB 0.617 69.560 68.868 0.124 0.000 1.366 307 T HN 0.143 nan 8.240 nan 0.000 0.536 308 Q N 0.378 120.300 119.800 0.203 0.000 2.291 308 Q HA -0.023 4.315 4.340 -0.002 0.000 0.206 308 Q C 0.683 176.920 176.000 0.395 0.000 0.976 308 Q CA 1.359 57.288 55.803 0.210 0.000 0.875 308 Q CB -0.127 28.695 28.738 0.141 0.000 0.927 308 Q HN 0.806 nan 8.270 nan 0.000 0.450 309 E N 0.165 120.601 120.200 0.392 0.000 2.887 309 E HA 0.234 4.583 4.350 -0.002 0.000 0.206 309 E C -0.313 176.531 176.600 0.406 0.000 0.983 309 E CA -0.178 56.459 56.400 0.394 0.000 1.141 309 E CB 0.913 30.770 29.700 0.263 0.000 1.061 309 E HN 0.001 nan 8.360 nan 0.000 0.468 310 R N 1.709 122.520 120.500 0.520 0.000 2.518 310 R HA 0.334 4.673 4.340 -0.002 0.000 0.287 310 R C -1.649 174.695 176.300 0.073 0.000 1.135 310 R CA -0.525 55.754 56.100 0.297 0.000 0.967 310 R CB 0.768 31.121 30.300 0.089 0.000 1.212 310 R HN -0.021 nan 8.270 nan 0.000 0.422 311 I N 1.754 122.183 120.570 -0.234 0.000 2.460 311 I HA 0.454 4.623 4.170 -0.002 0.000 0.298 311 I C 0.109 175.939 176.117 -0.478 0.000 0.989 311 I CA -0.643 60.243 61.300 -0.689 0.000 1.173 311 I CB 2.029 39.273 38.000 -1.262 0.000 1.338 311 I HN 0.470 nan 8.210 nan 0.000 0.456 312 S N 6.433 121.847 115.700 -0.477 0.000 2.449 312 S HA 0.822 5.291 4.470 -0.002 0.000 0.310 312 S C -0.877 173.433 174.600 -0.483 0.000 1.096 312 S CA -0.611 57.387 58.200 -0.337 0.000 1.095 312 S CB 0.323 63.466 63.200 -0.096 0.000 1.007 312 S HN 0.563 nan 8.310 nan 0.000 0.474 313 L N 3.858 124.789 121.223 -0.487 0.000 2.365 313 L HA 0.586 4.925 4.340 -0.002 0.000 0.273 313 L C -0.181 176.392 176.870 -0.495 0.000 1.000 313 L CA -0.780 53.665 54.840 -0.659 0.000 0.819 313 L CB 1.982 43.493 42.059 -0.914 0.000 1.284 313 L HN 0.600 nan 8.230 nan 0.000 0.418 314 Q N 1.588 121.078 119.800 -0.516 0.000 2.316 314 Q HA 0.439 4.777 4.340 -0.002 0.000 0.264 314 Q C -1.699 174.084 176.000 -0.361 0.000 0.987 314 Q CA -0.534 55.080 55.803 -0.316 0.000 0.852 314 Q CB 2.374 30.985 28.738 -0.212 0.000 1.287 314 Q HN 0.456 nan 8.270 nan 0.000 0.448 315 W N 2.268 123.535 121.300 -0.054 0.000 2.689 315 W HA 0.588 5.247 4.660 -0.002 0.000 0.340 315 W C -0.886 175.679 176.519 0.077 0.000 1.060 315 W CA -0.625 56.737 57.345 0.028 0.000 1.218 315 W CB 1.160 30.615 29.460 -0.008 0.000 1.410 315 W HN 0.385 nan 8.180 nan 0.000 0.528 316 L N 2.743 124.218 121.223 0.421 0.000 2.386 316 L HA 0.563 4.901 4.340 -0.002 0.000 0.271 316 L C -0.028 177.062 176.870 0.367 0.000 0.993 316 L CA -0.979 54.065 54.840 0.341 0.000 0.819 316 L CB 1.394 43.621 42.059 0.281 0.000 1.294 316 L HN 0.374 nan 8.230 nan 0.000 0.414 317 R N 1.923 122.597 120.500 0.289 0.000 2.539 317 R HA 0.209 4.548 4.340 -0.002 0.000 0.275 317 R C 1.055 177.460 176.300 0.174 0.000 1.077 317 R CA -0.097 56.122 56.100 0.198 0.000 1.097 317 R CB 0.794 31.183 30.300 0.149 0.000 1.018 317 R HN 0.633 nan 8.270 nan 0.000 0.483 318 R N 2.311 122.842 120.500 0.052 0.000 2.117 318 R HA -0.104 4.235 4.340 -0.002 0.000 0.243 318 R C 0.216 176.588 176.300 0.120 0.000 1.143 318 R CA 1.425 57.549 56.100 0.040 0.000 0.968 318 R CB -0.143 30.117 30.300 -0.066 0.000 0.863 318 R HN 0.525 nan 8.270 nan 0.000 0.444 319 I N 2.548 123.165 120.570 0.079 0.000 2.329 319 I HA -0.003 4.166 4.170 -0.002 0.000 0.295 319 I C 0.268 176.449 176.117 0.107 0.000 1.109 319 I CA 0.245 61.588 61.300 0.073 0.000 1.297 319 I CB 1.278 39.303 38.000 0.042 0.000 1.433 319 I HN 0.249 nan 8.210 nan 0.000 0.509 320 Q N 5.262 125.120 119.800 0.096 0.000 2.380 320 Q HA -0.004 4.335 4.340 -0.002 0.000 0.254 320 Q C 0.399 176.475 176.000 0.127 0.000 0.927 320 Q CA -0.027 55.842 55.803 0.110 0.000 0.950 320 Q CB -0.481 28.272 28.738 0.024 0.000 1.206 320 Q HN 0.681 nan 8.270 nan 0.000 0.414 321 N N -0.701 118.083 118.700 0.139 0.000 2.200 321 N HA -0.017 4.722 4.740 -0.002 0.000 0.224 321 N C -1.045 174.576 175.510 0.186 0.000 1.179 321 N CA -0.233 52.895 53.050 0.129 0.000 0.877 321 N CB 0.336 38.876 38.487 0.089 0.000 1.072 321 N HN 0.201 nan 8.380 nan 0.000 0.519 322 Y N 0.972 121.303 120.300 0.051 0.000 2.399 322 Y HA 0.538 5.086 4.550 -0.002 0.000 0.327 322 Y C -1.358 174.582 175.900 0.067 0.000 1.111 322 Y CA -0.892 57.236 58.100 0.048 0.000 1.047 322 Y CB 1.541 40.022 38.460 0.036 0.000 1.259 322 Y HN 0.168 nan 8.280 nan 0.000 0.434 323 S N 4.025 119.648 115.700 -0.128 0.000 2.549 323 S HA 0.889 5.358 4.470 -0.002 0.000 0.280 323 S C -2.034 172.489 174.600 -0.129 0.000 1.109 323 S CA -0.809 57.378 58.200 -0.022 0.000 0.905 323 S CB 1.883 65.084 63.200 0.001 0.000 1.081 323 S HN 0.460 nan 8.310 nan 0.000 0.477 324 V N 3.270 123.199 119.914 0.025 0.000 2.483 324 V HA 0.480 4.598 4.120 -0.002 0.000 0.297 324 V C -0.351 175.787 176.094 0.074 0.000 1.027 324 V CA -0.587 61.729 62.300 0.027 0.000 0.855 324 V CB 1.613 33.480 31.823 0.073 0.000 0.995 324 V HN 1.039 nan 8.190 nan 0.000 0.424 325 M N 4.033 123.640 119.600 0.012 0.000 2.146 325 M HA 0.482 4.960 4.480 -0.002 0.000 0.357 325 M C -1.071 175.249 176.300 0.034 0.000 1.261 325 M CA 0.023 55.305 55.300 -0.029 0.000 1.106 325 M CB 0.806 33.328 32.600 -0.129 0.000 1.612 325 M HN 0.635 nan 8.290 nan 0.000 0.470 326 D N 4.914 125.324 120.400 0.017 0.000 2.375 326 D HA 0.496 5.135 4.640 -0.002 0.000 0.247 326 D C -1.392 174.887 176.300 -0.035 0.000 1.061 326 D CA -0.178 53.838 54.000 0.026 0.000 0.834 326 D CB 1.445 42.294 40.800 0.083 0.000 1.247 326 D HN 0.527 nan 8.370 nan 0.000 0.489 327 I N 2.897 123.473 120.570 0.009 0.000 2.339 327 I HA 0.332 4.501 4.170 -0.002 0.000 0.290 327 I C -0.566 175.555 176.117 0.007 0.000 0.994 327 I CA -0.301 60.998 61.300 -0.000 0.000 1.191 327 I CB 1.200 39.257 38.000 0.095 0.000 1.343 327 I HN 0.315 nan 8.210 nan 0.000 0.458 328 c N 4.137 122.728 118.600 -0.014 0.000 2.408 328 c HA 0.567 5.136 4.570 -0.002 0.000 0.321 328 c C -0.533 173.700 174.090 0.238 0.000 1.245 328 c CA -0.820 55.562 56.329 0.088 0.000 1.523 328 c CB 0.889 43.430 42.510 0.051 0.000 2.178 328 c HN 0.604 nan 8.230 nan 0.000 0.488 329 D N 0.449 120.973 120.400 0.208 0.000 2.248 329 D HA 0.330 4.969 4.640 -0.002 0.000 0.246 329 D C -0.696 175.539 176.300 -0.108 0.000 1.027 329 D CA -0.219 53.851 54.000 0.117 0.000 0.853 329 D CB 0.845 41.664 40.800 0.031 0.000 1.243 329 D HN 0.569 nan 8.370 nan 0.000 0.462 330 Y N 1.635 121.507 120.300 -0.715 0.000 2.436 330 Y HA 0.183 4.732 4.550 -0.002 0.000 0.336 330 Y C -0.143 175.437 175.900 -0.534 0.000 1.049 330 Y CA -0.421 56.935 58.100 -1.240 0.000 1.294 330 Y CB 0.635 38.170 38.460 -1.543 0.000 1.179 330 Y HN 0.167 nan 8.280 nan 0.000 0.520 331 D N 5.807 125.682 120.400 -0.876 0.000 2.441 331 D HA 0.026 4.665 4.640 -0.002 0.000 0.221 331 D C 1.031 176.772 176.300 -0.932 0.000 1.156 331 D CA 0.059 53.665 54.000 -0.656 0.000 0.896 331 D CB 0.537 41.117 40.800 -0.366 0.000 1.028 331 D HN 0.912 nan 8.370 nan 0.000 0.509 332 E N 2.479 122.197 120.200 -0.804 0.000 2.065 332 E HA -0.311 4.038 4.350 -0.002 0.000 0.201 332 E C 1.520 177.940 176.600 -0.301 0.000 1.016 332 E CA 2.075 58.145 56.400 -0.550 0.000 0.818 332 E CB 0.057 29.647 29.700 -0.183 0.000 0.749 332 E HN 0.410 nan 8.360 nan 0.000 0.453 333 S N -0.588 114.981 115.700 -0.217 0.000 2.348 333 S HA -0.179 4.290 4.470 -0.002 0.000 0.221 333 S C 2.271 176.802 174.600 -0.114 0.000 1.033 333 S CA 1.866 59.992 58.200 -0.123 0.000 1.010 333 S CB -0.534 62.610 63.200 -0.094 0.000 0.891 333 S HN 0.278 nan 8.310 nan 0.000 0.442 334 S N -0.229 115.375 115.700 -0.159 0.000 2.414 334 S HA 0.290 4.759 4.470 -0.002 0.000 0.227 334 S C 1.407 175.963 174.600 -0.073 0.000 1.022 334 S CA 1.086 59.224 58.200 -0.103 0.000 0.958 334 S CB -0.812 62.327 63.200 -0.102 0.000 0.797 334 S HN 1.508 nan 8.310 nan 0.000 0.493 335 G N 1.242 109.943 108.800 -0.164 0.000 2.143 335 G HA2 -0.210 3.749 3.960 -0.002 0.000 0.248 335 G HA3 -0.210 3.749 3.960 -0.002 0.000 0.248 335 G C 0.096 175.061 174.900 0.108 0.000 0.991 335 G CA 0.149 45.270 45.100 0.034 0.000 0.689 335 G HN 0.472 nan 8.290 nan 0.000 0.522 336 R N -1.761 118.684 120.500 -0.093 0.000 2.875 336 R HA 0.693 5.032 4.340 -0.002 0.000 0.251 336 R C -0.920 175.316 176.300 -0.107 0.000 1.123 336 R CA -0.752 55.370 56.100 0.035 0.000 1.064 336 R CB 0.954 31.266 30.300 0.020 0.000 1.205 336 R HN 0.144 nan 8.270 nan 0.000 0.503 337 W N 0.503 121.825 121.300 0.036 0.000 2.600 337 W HA 0.402 5.060 4.660 -0.002 0.000 0.325 337 W C -0.344 176.163 176.519 -0.020 0.000 1.034 337 W CA -0.529 56.824 57.345 0.013 0.000 1.226 337 W CB 1.165 30.623 29.460 -0.005 0.000 1.379 337 W HN 0.216 nan 8.180 nan 0.000 0.466 338 N N 2.232 121.017 118.700 0.142 0.000 2.362 338 N HA 0.421 5.160 4.740 -0.002 0.000 0.298 338 N C -1.375 174.179 175.510 0.074 0.000 1.048 338 N CA -0.460 52.632 53.050 0.071 0.000 0.858 338 N CB 1.859 40.353 38.487 0.012 0.000 1.218 338 N HN 0.267 nan 8.380 nan 0.000 0.488 339 c N 2.981 121.605 118.600 0.040 0.000 2.357 339 c HA 0.334 4.903 4.570 -0.002 0.000 0.300 339 c C 0.428 174.519 174.090 0.002 0.000 1.074 339 c CA -0.903 55.438 56.329 0.021 0.000 1.566 339 c CB -1.529 40.983 42.510 0.004 0.000 1.791 339 c HN 0.546 nan 8.230 nan 0.000 0.415 340 L N 2.330 123.557 121.223 0.007 0.000 2.540 340 L HA 0.008 4.346 4.340 -0.002 0.000 0.276 340 L C 1.658 178.518 176.870 -0.017 0.000 1.212 340 L CA 0.722 55.559 54.840 -0.005 0.000 0.893 340 L CB 0.543 42.603 42.059 0.002 0.000 1.138 340 L HN 0.614 nan 8.230 nan 0.000 0.491 341 V N 2.701 122.597 119.914 -0.029 0.000 2.453 341 V HA -0.333 3.786 4.120 -0.002 0.000 0.252 341 V C 2.265 178.324 176.094 -0.058 0.000 1.068 341 V CA 1.770 64.044 62.300 -0.043 0.000 1.070 341 V CB -1.459 30.339 31.823 -0.042 0.000 0.664 341 V HN 0.999 nan 8.190 nan 0.000 0.461 342 A N 0.505 123.297 122.820 -0.047 0.000 2.024 342 A HA -0.177 4.141 4.320 -0.002 0.000 0.220 342 A C 2.255 179.788 177.584 -0.086 0.000 1.164 342 A CA 1.508 53.511 52.037 -0.056 0.000 0.643 342 A CB -0.366 18.617 19.000 -0.028 0.000 0.806 342 A HN 0.531 nan 8.150 nan 0.000 0.451 343 R N -0.003 120.465 120.500 -0.052 0.000 2.317 343 R HA 0.116 4.454 4.340 -0.002 0.000 0.208 343 R C 0.079 176.315 176.300 -0.107 0.000 0.914 343 R CA -0.042 56.050 56.100 -0.014 0.000 1.060 343 R CB -0.239 30.116 30.300 0.092 0.000 1.015 343 R HN 0.647 nan 8.270 nan 0.000 0.498 344 Q N 1.170 120.873 119.800 -0.161 0.000 2.311 344 Q HA 0.039 4.378 4.340 -0.002 0.000 0.272 344 Q C -0.844 174.967 176.000 -0.314 0.000 1.012 344 Q CA 0.699 56.421 55.803 -0.134 0.000 0.891 344 Q CB 0.531 29.218 28.738 -0.085 0.000 1.201 344 Q HN 0.219 nan 8.270 nan 0.000 0.391 345 H N 1.699 120.776 119.070 0.013 0.000 2.658 345 H HA 0.395 4.950 4.556 -0.002 0.000 0.337 345 H C -0.711 174.594 175.328 -0.039 0.000 1.009 345 H CA -0.463 55.599 56.048 0.023 0.000 1.231 345 H CB 1.037 30.835 29.762 0.060 0.000 1.508 345 H HN 0.464 nan 8.280 nan 0.000 0.517 346 I N 2.210 122.800 120.570 0.034 0.000 2.396 346 I HA 0.194 4.363 4.170 -0.002 0.000 0.292 346 I C 0.149 176.214 176.117 -0.086 0.000 0.999 346 I CA -0.107 61.120 61.300 -0.123 0.000 1.310 346 I CB 1.167 39.044 38.000 -0.206 0.000 1.404 346 I HN 0.553 nan 8.210 nan 0.000 0.496 347 E N 7.362 127.462 120.200 -0.166 0.000 2.218 347 E HA 0.536 4.885 4.350 -0.002 0.000 0.263 347 E C -1.400 175.109 176.600 -0.151 0.000 0.879 347 E CA -0.621 55.721 56.400 -0.096 0.000 0.762 347 E CB 1.718 31.392 29.700 -0.044 0.000 1.166 347 E HN 0.530 nan 8.360 nan 0.000 0.415 348 M N 2.072 121.621 119.600 -0.086 0.000 2.619 348 M HA 0.414 4.893 4.480 -0.002 0.000 0.297 348 M C -1.213 175.085 176.300 -0.003 0.000 1.229 348 M CA -0.678 54.593 55.300 -0.048 0.000 0.860 348 M CB 2.494 35.079 32.600 -0.026 0.000 1.741 348 M HN 0.426 nan 8.290 nan 0.000 0.462 349 S N -0.430 115.279 115.700 0.014 0.000 2.575 349 S HA 0.445 4.914 4.470 -0.002 0.000 0.278 349 S C 0.327 174.923 174.600 -0.007 0.000 1.139 349 S CA -0.504 57.688 58.200 -0.013 0.000 0.954 349 S CB 1.371 64.531 63.200 -0.068 0.000 1.054 349 S HN 0.828 nan 8.310 nan 0.000 0.483 350 T N 0.365 114.913 114.554 -0.009 0.000 3.057 350 T HA 0.033 4.381 4.350 -0.002 0.000 0.254 350 T C 1.612 176.294 174.700 -0.029 0.000 1.094 350 T CA 0.995 63.092 62.100 -0.006 0.000 1.088 350 T CB -0.442 68.429 68.868 0.005 0.000 0.934 350 T HN 0.683 nan 8.240 nan 0.000 0.497 351 T N -1.682 112.840 114.554 -0.053 0.000 3.057 351 T HA 0.585 4.934 4.350 -0.002 0.000 0.254 351 T C 1.219 175.753 174.700 -0.277 0.000 1.094 351 T CA 0.387 62.446 62.100 -0.069 0.000 1.088 351 T CB 0.300 69.198 68.868 0.050 0.000 0.934 351 T HN 0.605 nan 8.240 nan 0.000 0.497 352 G N 0.619 109.142 108.800 -0.462 0.000 2.818 352 G HA2 0.449 4.408 3.960 -0.002 0.000 0.109 352 G HA3 0.449 4.408 3.960 -0.002 0.000 0.109 352 G C -1.771 172.955 174.900 -0.291 0.000 1.206 352 G CA -0.496 44.221 45.100 -0.638 0.000 1.243 352 G HN 0.524 nan 8.290 nan 0.000 0.609 353 W N 0.890 121.953 121.300 -0.395 0.000 2.509 353 W HA 0.743 5.402 4.660 -0.002 0.000 0.351 353 W C -0.031 176.444 176.519 -0.073 0.000 1.107 353 W CA -1.356 55.879 57.345 -0.185 0.000 1.264 353 W CB 0.929 30.260 29.460 -0.215 0.000 1.312 353 W HN 0.330 nan 8.180 nan 0.000 0.608 354 V N 2.977 122.955 119.914 0.107 0.000 2.686 354 V HA 0.661 4.780 4.120 -0.002 0.000 0.295 354 V C 0.981 177.136 176.094 0.103 0.000 1.055 354 V CA 0.128 62.455 62.300 0.045 0.000 1.050 354 V CB -0.194 31.660 31.823 0.052 0.000 0.984 354 V HN 1.464 nan 8.190 nan 0.000 0.482 355 G N 3.755 112.575 108.800 0.033 0.000 2.888 355 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.441 355 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.441 355 G C 0.367 175.326 174.900 0.098 0.000 1.461 355 G CA 0.436 45.576 45.100 0.066 0.000 0.897 355 G HN 0.760 nan 8.290 nan 0.000 0.547 356 R N -0.578 119.975 120.500 0.088 0.000 2.061 356 R HA 0.087 4.426 4.340 -0.002 0.000 0.230 356 R C 2.080 178.338 176.300 -0.070 0.000 1.140 356 R CA 2.245 58.354 56.100 0.015 0.000 0.940 356 R CB -0.124 30.195 30.300 0.031 0.000 0.839 356 R HN 0.505 nan 8.270 nan 0.000 0.429 357 F N -0.848 119.225 119.950 0.205 0.000 2.789 357 F HA 0.259 4.785 4.527 -0.002 0.000 0.320 357 F C 0.380 176.201 175.800 0.034 0.000 1.079 357 F CA -0.472 57.599 58.000 0.118 0.000 1.205 357 F CB 0.728 39.785 39.000 0.095 0.000 1.046 357 F HN -0.089 nan 8.300 nan 0.000 0.586 358 R N -0.938 119.688 120.500 0.209 0.000 2.690 358 R HA 0.435 4.774 4.340 -0.002 0.000 0.269 358 R C -3.322 173.025 176.300 0.078 0.000 1.037 358 R CA -1.987 54.163 56.100 0.084 0.000 0.877 358 R CB 0.229 30.522 30.300 -0.013 0.000 1.255 358 R HN -0.360 nan 8.270 nan 0.000 0.467 359 P HA -0.073 nan 4.420 nan 0.000 0.263 359 P C -0.174 177.136 177.300 0.016 0.000 1.175 359 P CA 0.326 63.435 63.100 0.015 0.000 0.761 359 P CB 0.582 32.268 31.700 -0.023 0.000 0.794 360 S N 1.841 117.561 115.700 0.034 0.000 2.589 360 S HA 0.161 4.630 4.470 -0.002 0.000 0.265 360 S C -0.064 174.556 174.600 0.034 0.000 1.342 360 S CA -0.676 57.562 58.200 0.063 0.000 1.005 360 S CB 0.109 63.361 63.200 0.087 0.000 0.909 360 S HN 0.332 nan 8.310 nan 0.000 0.555 361 E N 1.807 122.061 120.200 0.090 0.000 2.373 361 E HA 0.356 4.705 4.350 -0.002 0.000 0.267 361 E C -2.305 174.346 176.600 0.085 0.000 1.032 361 E CA -1.738 54.702 56.400 0.067 0.000 0.889 361 E CB -0.431 29.341 29.700 0.121 0.000 0.984 361 E HN 0.475 nan 8.360 nan 0.000 0.425 362 P HA 0.094 nan 4.420 nan 0.000 0.277 362 P C -0.761 176.540 177.300 0.003 0.000 1.240 362 P CA -0.145 62.834 63.100 -0.202 0.000 0.798 362 P CB 0.684 31.904 31.700 -0.800 0.000 0.979 363 H N 1.508 120.565 119.070 -0.022 0.000 2.887 363 H HA 0.279 4.834 4.556 -0.002 0.000 0.300 363 H C -0.393 175.059 175.328 0.207 0.000 1.038 363 H CA -0.386 55.748 56.048 0.143 0.000 1.352 363 H CB 0.280 30.150 29.762 0.180 0.000 1.473 363 H HN 0.304 nan 8.280 nan 0.000 0.503 364 F N 1.951 122.088 119.950 0.312 0.000 2.418 364 F HA 0.045 4.571 4.527 -0.002 0.000 0.341 364 F C 1.558 177.553 175.800 0.324 0.000 1.120 364 F CA -0.391 57.806 58.000 0.328 0.000 1.232 364 F CB 0.909 40.037 39.000 0.213 0.000 1.175 364 F HN 0.358 nan 8.300 nan 0.000 0.569 365 T N 0.901 115.767 114.554 0.520 0.000 2.802 365 T HA 0.094 4.443 4.350 -0.002 0.000 0.305 365 T C 1.480 176.378 174.700 0.329 0.000 1.053 365 T CA -0.786 61.550 62.100 0.394 0.000 1.058 365 T CB 0.685 69.772 68.868 0.364 0.000 0.988 365 T HN 0.624 nan 8.240 nan 0.000 0.539 366 L N 1.016 122.384 121.223 0.242 0.000 2.021 366 L HA -0.218 4.121 4.340 -0.002 0.000 0.215 366 L C 2.384 179.361 176.870 0.179 0.000 1.074 366 L CA 2.541 57.496 54.840 0.191 0.000 0.760 366 L CB -0.723 41.425 42.059 0.148 0.000 0.889 366 L HN 0.911 nan 8.230 nan 0.000 0.433 367 D N -1.629 118.878 120.400 0.179 0.000 2.347 367 D HA -0.003 4.636 4.640 -0.002 0.000 0.215 367 D C 1.391 177.790 176.300 0.165 0.000 0.976 367 D CA 0.793 54.885 54.000 0.154 0.000 0.884 367 D CB -0.131 40.752 40.800 0.137 0.000 0.915 367 D HN 0.356 nan 8.370 nan 0.000 0.526 368 G N 0.365 109.299 108.800 0.224 0.000 2.143 368 G HA2 -0.325 3.634 3.960 -0.002 0.000 0.248 368 G HA3 -0.325 3.634 3.960 -0.002 0.000 0.248 368 G C 0.777 175.853 174.900 0.292 0.000 0.991 368 G CA 0.316 45.551 45.100 0.225 0.000 0.689 368 G HN 0.346 nan 8.290 nan 0.000 0.522 369 N N 0.099 118.965 118.700 0.277 0.000 2.280 369 N HA 0.212 4.950 4.740 -0.002 0.000 0.192 369 N C 0.782 176.427 175.510 0.225 0.000 1.109 369 N CA 1.057 54.244 53.050 0.229 0.000 0.855 369 N CB 0.642 39.221 38.487 0.155 0.000 0.974 369 N HN 0.978 nan 8.380 nan 0.000 0.482 370 S N -0.375 115.502 115.700 0.294 0.000 2.565 370 S HA 0.735 5.203 4.470 -0.002 0.000 0.269 370 S C -0.965 173.732 174.600 0.161 0.000 1.153 370 S CA -0.973 57.279 58.200 0.087 0.000 0.835 370 S CB 1.565 64.766 63.200 0.001 0.000 1.122 370 S HN 0.117 nan 8.310 nan 0.000 0.462 371 F N -1.468 118.323 119.950 -0.265 0.000 2.715 371 F HA 0.894 5.420 4.527 -0.002 0.000 0.318 371 F C -2.159 173.434 175.800 -0.345 0.000 1.141 371 F CA -1.528 56.254 58.000 -0.362 0.000 0.950 371 F CB 0.627 39.008 39.000 -1.032 0.000 1.374 371 F HN 0.610 nan 8.300 nan 0.000 0.477 372 Y N 0.504 120.924 120.300 0.200 0.000 2.499 372 Y HA 0.711 5.260 4.550 -0.002 0.000 0.347 372 Y C -0.503 175.517 175.900 0.201 0.000 0.987 372 Y CA -1.097 57.103 58.100 0.167 0.000 1.044 372 Y CB 2.471 40.999 38.460 0.113 0.000 1.245 372 Y HN 0.689 nan 8.280 nan 0.000 0.461 373 K N 2.595 123.176 120.400 0.302 0.000 2.557 373 K HA 0.503 4.822 4.320 -0.002 0.000 0.257 373 K C -1.777 174.924 176.600 0.169 0.000 0.933 373 K CA -0.560 55.849 56.287 0.203 0.000 0.820 373 K CB 1.728 34.304 32.500 0.126 0.000 1.330 373 K HN 0.677 nan 8.250 nan 0.000 0.432 374 I N 4.521 125.165 120.570 0.123 0.000 2.496 374 I HA 0.267 4.436 4.170 -0.002 0.000 0.285 374 I C -0.146 176.048 176.117 0.129 0.000 1.080 374 I CA -0.083 61.286 61.300 0.115 0.000 1.404 374 I CB 0.570 38.615 38.000 0.075 0.000 1.403 374 I HN 0.431 nan 8.210 nan 0.000 0.539 375 I N 4.089 124.772 120.570 0.187 0.000 2.827 375 I HA 0.163 4.332 4.170 -0.002 0.000 0.298 375 I C -0.193 176.051 176.117 0.212 0.000 1.235 375 I CA -0.202 61.217 61.300 0.199 0.000 1.021 375 I CB 2.376 40.522 38.000 0.243 0.000 1.259 375 I HN 0.400 nan 8.210 nan 0.000 0.427 376 S N 4.408 120.167 115.700 0.098 0.000 2.516 376 S HA 0.206 4.674 4.470 -0.002 0.000 0.282 376 S C -0.139 174.496 174.600 0.059 0.000 1.286 376 S CA -0.376 57.830 58.200 0.010 0.000 1.066 376 S CB -0.240 62.915 63.200 -0.076 0.000 0.884 376 S HN 0.692 nan 8.310 nan 0.000 0.491 377 N N 2.892 121.523 118.700 -0.116 0.000 2.448 377 N HA 0.247 4.985 4.740 -0.002 0.000 0.274 377 N C 0.718 176.130 175.510 -0.165 0.000 1.239 377 N CA -0.829 52.033 53.050 -0.313 0.000 0.982 377 N CB 0.467 38.390 38.487 -0.941 0.000 1.199 377 N HN 0.581 nan 8.380 nan 0.000 0.576 378 E N -0.107 119.996 120.200 -0.161 0.000 2.169 378 E HA -0.256 4.093 4.350 -0.002 0.000 0.202 378 E C 0.661 177.210 176.600 -0.085 0.000 1.016 378 E CA 1.908 58.251 56.400 -0.095 0.000 0.817 378 E CB -0.070 29.573 29.700 -0.095 0.000 0.736 378 E HN 0.613 nan 8.360 nan 0.000 0.462 379 E N -1.495 118.651 120.200 -0.090 0.000 2.479 379 E HA 0.131 4.480 4.350 -0.002 0.000 0.193 379 E C 0.956 177.539 176.600 -0.029 0.000 1.049 379 E CA 0.535 56.925 56.400 -0.017 0.000 0.870 379 E CB 0.857 30.581 29.700 0.040 0.000 0.944 379 E HN 0.342 nan 8.360 nan 0.000 0.492 380 G N -0.019 108.711 108.800 -0.115 0.000 2.157 380 G HA2 -0.307 3.652 3.960 -0.002 0.000 0.248 380 G HA3 -0.307 3.652 3.960 -0.002 0.000 0.248 380 G C -0.390 174.289 174.900 -0.369 0.000 0.979 380 G CA -0.185 44.760 45.100 -0.258 0.000 0.650 380 G HN 0.263 nan 8.290 nan 0.000 0.529 381 Y N 0.283 120.461 120.300 -0.202 0.000 2.334 381 Y HA 0.668 5.217 4.550 -0.002 0.000 0.328 381 Y C 1.170 176.943 175.900 -0.211 0.000 1.130 381 Y CA -0.770 57.205 58.100 -0.208 0.000 1.163 381 Y CB 0.986 39.338 38.460 -0.181 0.000 1.207 381 Y HN 0.075 nan 8.280 nan 0.000 0.471 382 R N 3.259 123.650 120.500 -0.181 0.000 2.265 382 R HA 0.363 4.702 4.340 -0.002 0.000 0.314 382 R C -0.949 175.092 176.300 -0.432 0.000 1.053 382 R CA -0.256 55.728 56.100 -0.192 0.000 0.931 382 R CB 0.342 30.565 30.300 -0.129 0.000 1.024 382 R HN 0.674 nan 8.270 nan 0.000 0.457 383 H N 1.742 120.798 119.070 -0.022 0.000 3.008 383 H HA 0.280 4.835 4.556 -0.002 0.000 0.354 383 H C -0.422 174.988 175.328 0.137 0.000 1.252 383 H CA -0.855 55.167 56.048 -0.044 0.000 1.117 383 H CB 1.566 31.203 29.762 -0.209 0.000 1.857 383 H HN 0.343 nan 8.280 nan 0.000 0.547 384 I N 1.422 122.089 120.570 0.161 0.000 2.452 384 I HA 0.009 4.178 4.170 -0.002 0.000 0.287 384 I C 0.477 176.641 176.117 0.079 0.000 1.079 384 I CA 0.307 61.661 61.300 0.091 0.000 1.387 384 I CB 0.171 38.143 38.000 -0.046 0.000 1.404 384 I HN 0.162 nan 8.210 nan 0.000 0.522 385 c N 7.005 125.582 118.600 -0.039 0.000 2.376 385 c HA 0.372 4.941 4.570 -0.002 0.000 0.335 385 c C -0.296 173.652 174.090 -0.236 0.000 1.229 385 c CA -0.524 55.560 56.329 -0.408 0.000 1.867 385 c CB 0.796 42.844 42.510 -0.769 0.000 2.319 385 c HN 0.629 nan 8.230 nan 0.000 0.515 386 Y N 4.695 124.654 120.300 -0.569 0.000 2.404 386 Y HA 0.590 5.139 4.550 -0.002 0.000 0.344 386 Y C -0.922 174.505 175.900 -0.788 0.000 0.970 386 Y CA -0.784 56.915 58.100 -0.668 0.000 1.180 386 Y CB -0.048 38.109 38.460 -0.505 0.000 1.138 386 Y HN 0.594 nan 8.280 nan 0.000 0.510 387 F N 4.051 123.208 119.950 -1.321 0.000 2.422 387 F HA 0.489 5.015 4.527 -0.002 0.000 0.333 387 F C -0.031 174.936 175.800 -1.388 0.000 1.095 387 F CA -0.548 56.612 58.000 -1.401 0.000 1.038 387 F CB 1.596 39.342 39.000 -2.090 0.000 1.156 387 F HN 0.338 nan 8.300 nan 0.000 0.483 388 Q N 3.109 122.478 119.800 -0.720 0.000 2.331 388 Q HA 0.320 4.659 4.340 -0.002 0.000 0.267 388 Q C 0.644 176.585 176.000 -0.098 0.000 1.006 388 Q CA -0.707 54.837 55.803 -0.431 0.000 0.818 388 Q CB 2.226 30.749 28.738 -0.358 0.000 1.276 388 Q HN 0.587 nan 8.270 nan 0.000 0.450 389 I N 1.768 122.362 120.570 0.039 0.000 2.145 389 I HA -0.312 3.857 4.170 -0.002 0.000 0.244 389 I C 1.237 177.510 176.117 0.261 0.000 1.075 389 I CA 1.836 63.289 61.300 0.255 0.000 1.332 389 I CB -0.331 37.828 38.000 0.265 0.000 1.033 389 I HN 0.741 nan 8.210 nan 0.000 0.410 390 D N 0.294 120.770 120.400 0.126 0.000 2.347 390 D HA -0.013 4.626 4.640 -0.002 0.000 0.213 390 D C 0.764 177.087 176.300 0.038 0.000 0.985 390 D CA 0.529 54.572 54.000 0.071 0.000 0.879 390 D CB 0.556 41.381 40.800 0.042 0.000 0.919 390 D HN 0.339 nan 8.370 nan 0.000 0.526 391 K N 1.417 121.847 120.400 0.049 0.000 2.166 391 K HA 0.309 4.628 4.320 -0.002 0.000 0.245 391 K C 0.385 177.000 176.600 0.026 0.000 0.967 391 K CA -0.645 55.644 56.287 0.002 0.000 0.863 391 K CB 2.030 34.501 32.500 -0.049 0.000 1.107 391 K HN -0.061 nan 8.250 nan 0.000 0.436 392 K N 0.437 120.823 120.400 -0.024 0.000 2.120 392 K HA 0.175 4.494 4.320 -0.002 0.000 0.245 392 K C -0.381 176.178 176.600 -0.068 0.000 1.024 392 K CA -0.454 55.817 56.287 -0.026 0.000 0.906 392 K CB 0.238 32.714 32.500 -0.041 0.000 1.051 392 K HN 0.533 nan 8.250 nan 0.000 0.491 393 D N -1.788 118.571 120.400 -0.069 0.000 3.831 393 D HA -0.256 4.383 4.640 -0.002 0.000 0.276 393 D C -0.215 175.826 176.300 -0.431 0.000 2.100 393 D CA 1.163 55.057 54.000 -0.177 0.000 1.140 393 D CB -1.154 39.548 40.800 -0.163 0.000 0.949 393 D HN 1.116 nan 8.370 nan 0.000 1.144 394 c N -3.556 114.682 118.600 -0.604 0.000 3.320 394 c HA 0.791 5.359 4.570 -0.002 0.000 0.335 394 c C -0.859 172.844 174.090 -0.645 0.000 1.430 394 c CA -0.432 55.319 56.329 -0.963 0.000 1.271 394 c CB 1.721 43.065 42.510 -1.943 0.000 1.609 394 c HN 0.686 nan 8.230 nan 0.000 0.457 395 T N 1.692 115.886 114.554 -0.599 0.000 2.815 395 T HA 0.544 4.892 4.350 -0.002 0.000 0.289 395 T C -0.928 173.557 174.700 -0.358 0.000 1.000 395 T CA 0.138 62.050 62.100 -0.313 0.000 0.958 395 T CB 0.476 69.299 68.868 -0.074 0.000 0.944 395 T HN 0.465 nan 8.240 nan 0.000 0.442 396 F N 3.494 123.324 119.950 -0.199 0.000 2.467 396 F HA 0.290 4.816 4.527 -0.002 0.000 0.362 396 F C 1.636 177.272 175.800 -0.273 0.000 1.090 396 F CA -1.013 56.858 58.000 -0.214 0.000 1.202 396 F CB 0.510 39.386 39.000 -0.208 0.000 1.113 396 F HN 0.591 nan 8.300 nan 0.000 0.541 397 I N -0.290 120.180 120.570 -0.166 0.000 3.968 397 I HA 0.214 4.383 4.170 -0.002 0.000 0.328 397 I C 0.248 176.242 176.117 -0.204 0.000 1.290 397 I CA 0.135 61.184 61.300 -0.418 0.000 1.163 397 I CB -0.084 37.423 38.000 -0.821 0.000 1.024 397 I HN 0.490 nan 8.210 nan 0.000 0.413 398 T N 0.101 114.576 114.554 -0.132 0.000 2.906 398 T HA 0.719 5.068 4.350 -0.002 0.000 0.295 398 T C -0.716 173.593 174.700 -0.650 0.000 1.075 398 T CA -0.707 61.281 62.100 -0.186 0.000 1.005 398 T CB 2.736 71.600 68.868 -0.007 0.000 1.136 398 T HN 0.487 nan 8.240 nan 0.000 0.498 399 K N -0.158 119.711 120.400 -0.885 0.000 2.615 399 K HA 0.809 5.128 4.320 -0.002 0.000 0.291 399 K C -0.442 175.559 176.600 -0.997 0.000 1.017 399 K CA -1.010 54.499 56.287 -1.297 0.000 0.882 399 K CB 1.350 33.440 32.500 -0.683 0.000 1.522 399 K HN 1.583 nan 8.250 nan 0.000 0.412 400 G N -0.082 108.180 108.800 -0.896 0.000 2.340 400 G HA2 0.058 4.017 3.960 -0.002 0.000 0.527 400 G HA3 0.058 4.017 3.960 -0.002 0.000 0.527 400 G C -0.579 173.796 174.900 -0.875 0.000 1.381 400 G CA -0.422 44.274 45.100 -0.674 0.000 1.001 400 G HN 0.999 nan 8.290 nan 0.000 0.626 401 T N -0.334 113.849 114.554 -0.619 0.000 4.309 401 T HA 0.530 4.879 4.350 -0.002 0.000 0.242 401 T C 0.336 174.887 174.700 -0.248 0.000 1.142 401 T CA 0.654 62.237 62.100 -0.861 0.000 1.042 401 T CB -0.953 67.622 68.868 -0.488 0.000 1.366 401 T HN 1.482 nan 8.240 nan 0.000 0.942 402 W N -0.435 120.733 121.300 -0.220 0.000 2.923 402 W HA 0.666 5.325 4.660 -0.002 0.000 0.373 402 W C -1.444 175.072 176.519 -0.005 0.000 1.205 402 W CA -1.003 56.335 57.345 -0.012 0.000 1.180 402 W CB 0.771 30.209 29.460 -0.036 0.000 1.477 402 W HN 0.125 nan 8.180 nan 0.000 0.581 403 E N 0.894 121.282 120.200 0.312 0.000 2.293 403 E HA 0.407 4.755 4.350 -0.002 0.000 0.270 403 E C -1.169 175.542 176.600 0.185 0.000 0.879 403 E CA -1.129 55.259 56.400 -0.019 0.000 0.756 403 E CB 3.514 33.248 29.700 0.057 0.000 1.208 403 E HN 0.158 nan 8.360 nan 0.000 0.428 404 V N 3.673 123.560 119.914 -0.044 0.000 2.508 404 V HA 0.001 4.120 4.120 -0.002 0.000 0.281 404 V C 1.069 177.244 176.094 0.136 0.000 1.041 404 V CA 0.447 62.821 62.300 0.123 0.000 1.016 404 V CB 0.618 32.409 31.823 -0.053 0.000 0.984 404 V HN 0.683 nan 8.190 nan 0.000 0.478 405 I N 3.644 124.325 120.570 0.186 0.000 2.400 405 I HA 0.254 4.423 4.170 -0.002 0.000 0.248 405 I C 1.179 177.399 176.117 0.171 0.000 1.109 405 I CA 1.304 62.706 61.300 0.169 0.000 1.425 405 I CB -0.047 37.992 38.000 0.066 0.000 1.094 405 I HN 0.764 nan 8.210 nan 0.000 0.425 406 G N -0.454 108.445 108.800 0.164 0.000 2.673 406 G HA2 0.546 4.505 3.960 -0.002 0.000 0.292 406 G HA3 0.546 4.505 3.960 -0.002 0.000 0.292 406 G C -1.320 173.651 174.900 0.118 0.000 1.450 406 G CA -0.588 44.597 45.100 0.142 0.000 0.837 406 G HN -0.082 nan 8.290 nan 0.000 0.505 407 I N 1.332 121.899 120.570 -0.006 0.000 2.365 407 I HA 0.297 4.466 4.170 -0.002 0.000 0.291 407 I C 0.584 176.628 176.117 -0.120 0.000 1.004 407 I CA -0.585 60.615 61.300 -0.166 0.000 1.311 407 I CB 1.825 39.484 38.000 -0.570 0.000 1.401 407 I HN 0.502 nan 8.210 nan 0.000 0.491 408 E N 4.408 124.600 120.200 -0.013 0.000 2.256 408 E HA 0.348 4.697 4.350 -0.002 0.000 0.198 408 E C 0.069 176.631 176.600 -0.063 0.000 0.908 408 E CA 0.291 56.729 56.400 0.063 0.000 0.915 408 E CB 0.845 30.629 29.700 0.139 0.000 0.890 408 E HN 0.675 nan 8.360 nan 0.000 0.484 409 A N 0.629 123.315 122.820 -0.224 0.000 2.594 409 A HA 0.691 5.009 4.320 -0.002 0.000 0.295 409 A C -1.623 175.903 177.584 -0.097 0.000 1.071 409 A CA -0.545 51.272 52.037 -0.366 0.000 0.685 409 A CB 1.339 19.525 19.000 -1.358 0.000 1.285 409 A HN 0.087 nan 8.150 nan 0.000 0.405 410 L N 2.028 123.235 121.223 -0.027 0.000 2.409 410 L HA 0.691 5.030 4.340 -0.002 0.000 0.272 410 L C -0.035 176.880 176.870 0.075 0.000 0.980 410 L CA -0.291 54.577 54.840 0.047 0.000 0.826 410 L CB 2.372 44.488 42.059 0.095 0.000 1.268 410 L HN 1.110 nan 8.230 nan 0.000 0.407 411 T N -1.748 112.877 114.554 0.117 0.000 2.883 411 T HA 0.230 4.579 4.350 -0.002 0.000 0.284 411 T C 1.058 175.815 174.700 0.094 0.000 1.041 411 T CA 0.016 62.190 62.100 0.122 0.000 1.007 411 T CB 1.613 70.586 68.868 0.174 0.000 1.220 411 T HN 0.536 nan 8.240 nan 0.000 0.552 412 S N -0.601 115.148 115.700 0.082 0.000 2.474 412 S HA -0.088 4.381 4.470 -0.002 0.000 0.235 412 S C 0.726 175.316 174.600 -0.017 0.000 0.997 412 S CA 1.237 59.467 58.200 0.050 0.000 0.949 412 S CB -0.614 62.616 63.200 0.050 0.000 0.766 412 S HN 0.694 nan 8.310 nan 0.000 0.517 413 D N -0.806 119.573 120.400 -0.035 0.000 2.463 413 D HA 0.298 4.937 4.640 -0.002 0.000 0.237 413 D C -0.537 175.458 176.300 -0.510 0.000 1.013 413 D CA 0.594 54.442 54.000 -0.252 0.000 0.910 413 D CB 0.276 40.968 40.800 -0.181 0.000 1.080 413 D HN 0.453 nan 8.370 nan 0.000 0.498 414 Y N -0.254 120.015 120.300 -0.053 0.000 2.545 414 Y HA 0.506 5.055 4.550 -0.002 0.000 0.348 414 Y C -0.749 175.027 175.900 -0.207 0.000 1.002 414 Y CA -1.041 56.947 58.100 -0.188 0.000 1.039 414 Y CB 2.131 40.363 38.460 -0.380 0.000 1.271 414 Y HN -0.273 nan 8.280 nan 0.000 0.467 415 L N 3.008 124.158 121.223 -0.121 0.000 2.313 415 L HA 0.583 4.922 4.340 -0.002 0.000 0.283 415 L C -1.779 174.997 176.870 -0.158 0.000 1.013 415 L CA -0.635 54.120 54.840 -0.142 0.000 0.816 415 L CB 0.709 42.608 42.059 -0.267 0.000 1.236 415 L HN 0.587 nan 8.230 nan 0.000 0.419 416 Y N 4.909 125.142 120.300 -0.112 0.000 2.331 416 Y HA 0.518 5.067 4.550 -0.002 0.000 0.338 416 Y C -0.514 175.369 175.900 -0.027 0.000 0.992 416 Y CA -0.570 57.442 58.100 -0.147 0.000 1.121 416 Y CB 1.151 39.394 38.460 -0.362 0.000 1.184 416 Y HN 0.484 nan 8.280 nan 0.000 0.469 417 Y N 1.036 121.376 120.300 0.067 0.000 2.562 417 Y HA 0.759 5.308 4.550 -0.002 0.000 0.345 417 Y C -1.492 174.476 175.900 0.113 0.000 1.045 417 Y CA -1.849 56.287 58.100 0.060 0.000 1.028 417 Y CB 1.098 39.578 38.460 0.034 0.000 1.297 417 Y HN 0.315 nan 8.280 nan 0.000 0.463 418 I N 3.533 124.233 120.570 0.217 0.000 2.396 418 I HA 0.519 4.687 4.170 -0.002 0.000 0.292 418 I C 0.199 176.480 176.117 0.274 0.000 0.999 418 I CA -0.124 61.265 61.300 0.148 0.000 1.310 418 I CB 1.408 39.461 38.000 0.088 0.000 1.404 418 I HN 0.885 nan 8.210 nan 0.000 0.496 419 S N 4.417 120.247 115.700 0.217 0.000 2.671 419 S HA 0.398 4.867 4.470 -0.002 0.000 0.277 419 S C -0.310 174.328 174.600 0.063 0.000 1.165 419 S CA -0.901 57.411 58.200 0.188 0.000 0.822 419 S CB 1.850 65.159 63.200 0.182 0.000 1.150 419 S HN 0.755 nan 8.310 nan 0.000 0.479 420 N N -0.632 118.098 118.700 0.050 0.000 2.328 420 N HA 0.176 4.915 4.740 -0.002 0.000 0.247 420 N C 0.794 176.258 175.510 -0.076 0.000 1.165 420 N CA -0.324 52.723 53.050 -0.004 0.000 0.873 420 N CB 0.399 38.884 38.487 -0.003 0.000 1.125 420 N HN 0.746 nan 8.380 nan 0.000 0.513 421 E N 0.733 120.713 120.200 -0.365 0.000 2.051 421 E HA -0.235 4.113 4.350 -0.002 0.000 0.192 421 E C -0.209 176.248 176.600 -0.238 0.000 0.991 421 E CA 0.615 56.580 56.400 -0.725 0.000 0.799 421 E CB -0.082 28.675 29.700 -1.572 0.000 0.748 421 E HN 0.449 nan 8.360 nan 0.000 0.449 422 Y N 2.132 122.343 120.300 -0.149 0.000 2.804 422 Y HA -0.138 4.410 4.550 -0.002 0.000 0.338 422 Y C 0.197 176.075 175.900 -0.037 0.000 1.252 422 Y CA 0.924 58.995 58.100 -0.049 0.000 1.576 422 Y CB -0.026 38.436 38.460 0.003 0.000 1.223 422 Y HN 0.109 nan 8.280 nan 0.000 0.536 423 K N 3.439 123.608 120.400 -0.385 0.000 3.209 423 K HA -0.231 4.088 4.320 -0.002 0.000 0.289 423 K C 0.829 177.397 176.600 -0.054 0.000 1.191 423 K CA 0.697 56.813 56.287 -0.284 0.000 0.851 423 K CB -1.994 30.291 32.500 -0.359 0.000 1.242 423 K HN 1.274 nan 8.250 nan 0.000 0.480 424 G N 0.945 109.725 108.800 -0.035 0.000 2.283 424 G HA2 -0.329 3.630 3.960 -0.002 0.000 0.280 424 G HA3 -0.329 3.630 3.960 -0.002 0.000 0.280 424 G C 0.072 174.999 174.900 0.046 0.000 1.029 424 G CA 0.899 46.029 45.100 0.049 0.000 0.840 424 G HN 0.365 nan 8.290 nan 0.000 0.505 425 M N -0.100 119.448 119.600 -0.087 0.000 2.111 425 M HA 0.220 4.698 4.480 -0.002 0.000 0.351 425 M C -1.455 174.631 176.300 -0.357 0.000 1.214 425 M CA -1.896 53.191 55.300 -0.355 0.000 1.120 425 M CB 1.558 34.036 32.600 -0.202 0.000 1.443 425 M HN -0.124 nan 8.290 nan 0.000 0.429 426 P HA -0.038 nan 4.420 nan 0.000 0.223 426 P C 1.176 178.338 177.300 -0.229 0.000 1.151 426 P CA 0.879 63.813 63.100 -0.277 0.000 0.787 426 P CB 0.223 31.757 31.700 -0.278 0.000 0.788 427 G N -0.842 107.765 108.800 -0.323 0.000 3.383 427 G HA2 0.345 4.304 3.960 -0.002 0.000 0.251 427 G HA3 0.345 4.304 3.960 -0.002 0.000 0.251 427 G C 0.522 175.438 174.900 0.026 0.000 1.203 427 G CA -0.010 45.029 45.100 -0.101 0.000 0.852 427 G HN 0.365 nan 8.290 nan 0.000 0.531 428 G N -0.367 108.394 108.800 -0.065 0.000 2.511 428 G HA2 0.723 4.682 3.960 -0.002 0.000 0.318 428 G HA3 0.723 4.682 3.960 -0.002 0.000 0.318 428 G C -0.934 173.863 174.900 -0.172 0.000 1.210 428 G CA -0.988 44.101 45.100 -0.018 0.000 0.969 428 G HN 0.216 nan 8.290 nan 0.000 0.484 429 R N 0.487 120.859 120.500 -0.213 0.000 2.522 429 R HA 0.312 4.650 4.340 -0.002 0.000 0.273 429 R C -1.361 174.897 176.300 -0.070 0.000 1.133 429 R CA -0.733 55.207 56.100 -0.268 0.000 0.969 429 R CB 2.022 31.907 30.300 -0.691 0.000 1.235 429 R HN 0.583 nan 8.270 nan 0.000 0.433 430 N N 2.162 120.843 118.700 -0.031 0.000 2.284 430 N HA 0.340 5.078 4.740 -0.002 0.000 0.289 430 N C -1.520 173.857 175.510 -0.222 0.000 1.179 430 N CA -0.866 52.079 53.050 -0.175 0.000 0.774 430 N CB 2.636 40.905 38.487 -0.364 0.000 1.548 430 N HN 0.231 nan 8.380 nan 0.000 0.473 431 L N 1.893 122.851 121.223 -0.443 0.000 2.290 431 L HA 0.435 4.774 4.340 -0.002 0.000 0.284 431 L C -1.318 175.188 176.870 -0.608 0.000 1.078 431 L CA 0.140 54.752 54.840 -0.379 0.000 0.815 431 L CB -0.091 41.768 42.059 -0.334 0.000 1.162 431 L HN 0.418 nan 8.230 nan 0.000 0.435 432 Y N 3.655 123.582 120.300 -0.620 0.000 2.659 432 Y HA 0.666 5.215 4.550 -0.002 0.000 0.333 432 Y C -0.400 175.100 175.900 -0.668 0.000 1.064 432 Y CA -0.916 56.762 58.100 -0.704 0.000 1.141 432 Y CB 1.486 39.374 38.460 -0.953 0.000 1.316 432 Y HN 0.534 nan 8.280 nan 0.000 0.509 433 K N 1.566 121.790 120.400 -0.293 0.000 2.550 433 K HA 0.636 4.955 4.320 -0.002 0.000 0.252 433 K C -2.266 174.316 176.600 -0.031 0.000 0.943 433 K CA -0.405 55.680 56.287 -0.337 0.000 0.806 433 K CB 1.256 33.397 32.500 -0.599 0.000 1.289 433 K HN 0.675 nan 8.250 nan 0.000 0.435 434 I N 2.230 122.849 120.570 0.082 0.000 2.404 434 I HA 0.284 4.453 4.170 -0.002 0.000 0.293 434 I C -0.018 176.191 176.117 0.153 0.000 0.992 434 I CA -0.940 60.465 61.300 0.174 0.000 1.149 434 I CB 1.845 39.952 38.000 0.178 0.000 1.315 434 I HN 0.549 nan 8.210 nan 0.000 0.446 435 Q N 4.524 124.386 119.800 0.105 0.000 2.286 435 Q HA 0.232 4.571 4.340 -0.002 0.000 0.267 435 Q C 0.607 176.538 176.000 -0.115 0.000 1.028 435 Q CA -0.112 55.575 55.803 -0.193 0.000 0.901 435 Q CB 1.061 29.724 28.738 -0.124 0.000 1.183 435 Q HN 0.764 nan 8.270 nan 0.000 0.392 436 L N 2.248 123.341 121.223 -0.216 0.000 2.217 436 L HA -0.139 4.200 4.340 -0.002 0.000 0.211 436 L C 2.099 178.840 176.870 -0.215 0.000 1.107 436 L CA 1.135 55.924 54.840 -0.084 0.000 0.783 436 L CB -0.231 41.769 42.059 -0.098 0.000 0.919 436 L HN 0.648 nan 8.230 nan 0.000 0.442 437 S N -2.690 112.858 115.700 -0.254 0.000 2.558 437 S HA -0.000 4.468 4.470 -0.002 0.000 0.217 437 S C 0.399 174.817 174.600 -0.304 0.000 0.975 437 S CA -0.154 57.886 58.200 -0.266 0.000 0.912 437 S CB 0.104 63.190 63.200 -0.191 0.000 0.776 437 S HN 0.321 nan 8.310 nan 0.000 0.526 438 D N -0.372 119.853 120.400 -0.291 0.000 2.452 438 D HA 0.219 4.858 4.640 -0.002 0.000 0.226 438 D C -0.626 175.615 176.300 -0.098 0.000 1.366 438 D CA -0.508 53.353 54.000 -0.231 0.000 0.986 438 D CB 0.537 41.267 40.800 -0.117 0.000 1.420 438 D HN -0.048 nan 8.370 nan 0.000 0.583 439 Y N 1.103 121.381 120.300 -0.037 0.000 2.509 439 Y HA -0.084 4.464 4.550 -0.002 0.000 0.293 439 Y C 2.577 178.484 175.900 0.011 0.000 1.133 439 Y CA 1.413 59.504 58.100 -0.015 0.000 1.283 439 Y CB -0.693 37.757 38.460 -0.016 0.000 1.001 439 Y HN 0.451 nan 8.280 nan 0.000 0.555 440 T N -2.340 112.293 114.554 0.133 0.000 2.951 440 T HA -0.074 4.275 4.350 -0.002 0.000 0.268 440 T C 0.778 175.532 174.700 0.089 0.000 1.073 440 T CA 0.435 62.592 62.100 0.095 0.000 1.134 440 T CB -0.177 68.722 68.868 0.052 0.000 0.884 440 T HN -0.011 nan 8.240 nan 0.000 0.479 441 K N 2.704 123.154 120.400 0.082 0.000 2.171 441 K HA 0.413 4.732 4.320 -0.002 0.000 0.274 441 K C -1.008 175.664 176.600 0.120 0.000 1.110 441 K CA -0.131 56.207 56.287 0.085 0.000 0.952 441 K CB 0.788 33.329 32.500 0.068 0.000 1.309 441 K HN 0.201 nan 8.250 nan 0.000 0.414 442 V N 2.734 122.719 119.914 0.119 0.000 2.409 442 V HA 0.221 4.340 4.120 -0.002 0.000 0.291 442 V C 0.021 176.179 176.094 0.106 0.000 1.020 442 V CA -0.741 61.644 62.300 0.142 0.000 0.848 442 V CB 1.767 33.702 31.823 0.187 0.000 0.990 442 V HN 0.556 nan 8.190 nan 0.000 0.430 443 T N 3.584 118.167 114.554 0.050 0.000 2.794 443 T HA 0.267 4.616 4.350 -0.002 0.000 0.280 443 T C -0.269 174.351 174.700 -0.133 0.000 0.987 443 T CA -0.250 61.828 62.100 -0.036 0.000 0.993 443 T CB 1.287 70.100 68.868 -0.091 0.000 0.939 443 T HN 0.758 nan 8.240 nan 0.000 0.449 444 C N 4.846 124.004 119.300 -0.236 0.000 2.415 444 C HA 0.433 4.891 4.460 -0.002 0.000 0.369 444 C C 1.531 176.220 174.990 -0.502 0.000 1.279 444 C CA -0.517 58.116 59.018 -0.642 0.000 1.886 444 C CB -1.633 25.641 27.740 -0.776 0.000 2.468 444 C HN 0.973 nan 8.230 nan 0.000 0.553 445 L N 4.570 125.455 121.223 -0.563 0.000 2.590 445 L HA 0.143 4.482 4.340 -0.002 0.000 0.227 445 L C 1.937 178.513 176.870 -0.490 0.000 1.099 445 L CA 0.572 55.167 54.840 -0.408 0.000 0.872 445 L CB -0.181 41.693 42.059 -0.308 0.000 1.088 445 L HN 0.851 nan 8.230 nan 0.000 0.479 446 S N -3.251 112.043 115.700 -0.676 0.000 2.649 446 S HA 0.017 4.486 4.470 -0.002 0.000 0.246 446 S C 1.690 175.898 174.600 -0.654 0.000 1.057 446 S CA -0.152 57.535 58.200 -0.856 0.000 1.051 446 S CB -0.265 62.020 63.200 -1.524 0.000 1.018 446 S HN 0.274 nan 8.310 nan 0.000 0.569 447 C N 2.662 121.569 119.300 -0.654 0.000 2.413 447 C HA 0.041 4.500 4.460 -0.002 0.000 0.277 447 C C 2.225 176.944 174.990 -0.451 0.000 1.228 447 C CA 0.957 59.538 59.018 -0.729 0.000 1.731 447 C CB -0.806 26.306 27.740 -1.047 0.000 2.042 447 C HN 0.592 nan 8.230 nan 0.000 0.468 448 E N 0.513 120.527 120.200 -0.311 0.000 2.465 448 E HA 0.187 4.536 4.350 -0.002 0.000 0.195 448 E C 1.777 178.323 176.600 -0.090 0.000 1.028 448 E CA -0.006 56.304 56.400 -0.151 0.000 0.899 448 E CB -0.209 29.428 29.700 -0.105 0.000 1.032 448 E HN 0.655 nan 8.360 nan 0.000 0.468 449 L N 0.326 121.493 121.223 -0.095 0.000 2.005 449 L HA -0.040 4.299 4.340 -0.002 0.000 0.207 449 L C 1.019 177.895 176.870 0.011 0.000 1.072 449 L CA 0.974 55.798 54.840 -0.027 0.000 0.744 449 L CB -0.009 42.049 42.059 -0.002 0.000 0.895 449 L HN 0.024 nan 8.230 nan 0.000 0.433 450 N N -0.969 117.751 118.700 0.034 0.000 2.673 450 N HA 0.135 4.874 4.740 -0.002 0.000 0.265 450 N C -2.049 173.476 175.510 0.025 0.000 1.709 450 N CA -0.576 52.488 53.050 0.024 0.000 0.792 450 N CB 1.250 39.748 38.487 0.019 0.000 1.286 450 N HN -0.009 nan 8.380 nan 0.000 0.506 451 P HA -0.118 nan 4.420 nan 0.000 0.222 451 P C 0.829 178.164 177.300 0.058 0.000 1.142 451 P CA 1.329 64.460 63.100 0.052 0.000 0.788 451 P CB 0.776 32.517 31.700 0.068 0.000 0.767 452 E N -0.879 119.338 120.200 0.028 0.000 2.251 452 E HA 0.038 4.387 4.350 -0.002 0.000 0.194 452 E C 2.218 178.815 176.600 -0.006 0.000 0.964 452 E CA 0.448 56.858 56.400 0.017 0.000 0.868 452 E CB -0.299 29.404 29.700 0.006 0.000 0.828 452 E HN 0.068 nan 8.360 nan 0.000 0.481 453 R N -1.171 119.314 120.500 -0.025 0.000 2.189 453 R HA 0.194 4.532 4.340 -0.002 0.000 0.203 453 R C -0.330 175.920 176.300 -0.082 0.000 1.012 453 R CA 0.598 56.661 56.100 -0.062 0.000 1.015 453 R CB 0.327 30.581 30.300 -0.077 0.000 0.938 453 R HN 0.080 nan 8.270 nan 0.000 0.472 454 c N 0.777 119.338 118.600 -0.065 0.000 2.356 454 c HA 0.418 4.987 4.570 -0.002 0.000 0.324 454 c C -0.036 174.035 174.090 -0.032 0.000 1.167 454 c CA -0.625 55.616 56.329 -0.148 0.000 1.420 454 c CB 1.343 43.726 42.510 -0.211 0.000 2.036 454 c HN 0.528 nan 8.230 nan 0.000 0.435 455 Q N 0.599 120.380 119.800 -0.032 0.000 2.073 455 Q HA 0.223 4.562 4.340 -0.002 0.000 0.215 455 Q C -1.173 174.900 176.000 0.122 0.000 0.776 455 Q CA 0.062 55.918 55.803 0.089 0.000 1.008 455 Q CB 1.255 30.059 28.738 0.109 0.000 1.196 455 Q HN 0.801 nan 8.270 nan 0.000 0.458 456 Y N 0.165 120.380 120.300 -0.140 0.000 2.294 456 Y HA 0.336 4.885 4.550 -0.002 0.000 0.329 456 Y C -1.855 173.916 175.900 -0.215 0.000 1.135 456 Y CA -0.848 57.188 58.100 -0.106 0.000 1.213 456 Y CB 0.731 39.132 38.460 -0.098 0.000 1.141 456 Y HN -0.065 nan 8.280 nan 0.000 0.446 457 Y N 2.413 122.638 120.300 -0.124 0.000 2.509 457 Y HA 0.679 5.227 4.550 -0.002 0.000 0.341 457 Y C 0.412 176.264 175.900 -0.080 0.000 1.038 457 Y CA -0.439 57.613 58.100 -0.080 0.000 1.089 457 Y CB 2.265 40.649 38.460 -0.127 0.000 1.241 457 Y HN 0.521 nan 8.280 nan 0.000 0.468 458 S N 0.735 116.533 115.700 0.164 0.000 2.745 458 S HA 0.892 5.361 4.470 -0.002 0.000 0.306 458 S C -1.553 173.142 174.600 0.158 0.000 1.137 458 S CA -0.717 57.568 58.200 0.142 0.000 0.900 458 S CB 1.871 65.160 63.200 0.148 0.000 1.176 458 S HN 0.557 nan 8.310 nan 0.000 0.520 459 V N 0.112 120.126 119.914 0.166 0.000 3.147 459 V HA 0.831 4.950 4.120 -0.002 0.000 0.306 459 V C -1.316 174.912 176.094 0.223 0.000 1.209 459 V CA -0.272 62.125 62.300 0.163 0.000 1.023 459 V CB 2.378 34.274 31.823 0.121 0.000 1.059 459 V HN 1.166 nan 8.190 nan 0.000 0.435 460 S N 4.133 119.967 115.700 0.223 0.000 2.789 460 S HA 0.643 5.112 4.470 -0.002 0.000 0.286 460 S C -1.244 173.597 174.600 0.401 0.000 1.153 460 S CA -0.357 58.059 58.200 0.360 0.000 1.084 460 S CB 0.425 63.844 63.200 0.365 0.000 1.036 460 S HN 0.464 nan 8.310 nan 0.000 0.484 461 F N 3.429 123.518 119.950 0.231 0.000 2.384 461 F HA 0.421 4.947 4.527 -0.002 0.000 0.338 461 F C 1.378 176.916 175.800 -0.436 0.000 1.103 461 F CA -0.090 57.898 58.000 -0.020 0.000 1.157 461 F CB 1.516 40.450 39.000 -0.110 0.000 1.167 461 F HN 0.661 nan 8.300 nan 0.000 0.529 462 S N 3.458 118.622 115.700 -0.894 0.000 2.596 462 S HA 0.249 4.718 4.470 -0.002 0.000 0.260 462 S C -0.182 174.210 174.600 -0.346 0.000 1.336 462 S CA -1.101 56.322 58.200 -1.294 0.000 0.993 462 S CB 0.453 62.801 63.200 -1.420 0.000 0.923 462 S HN 0.488 nan 8.310 nan 0.000 0.567 463 K N 1.088 121.387 120.400 -0.168 0.000 2.414 463 K HA 0.050 4.369 4.320 -0.002 0.000 0.272 463 K C 0.559 177.161 176.600 0.003 0.000 0.993 463 K CA 0.302 56.586 56.287 -0.005 0.000 0.964 463 K CB -0.080 32.456 32.500 0.061 0.000 0.925 463 K HN 0.859 nan 8.250 nan 0.000 0.487 464 E N -0.103 120.115 120.200 0.030 0.000 3.253 464 E HA -0.322 4.027 4.350 -0.002 0.000 0.284 464 E C -0.057 176.548 176.600 0.008 0.000 0.958 464 E CA 0.626 57.047 56.400 0.034 0.000 0.917 464 E CB -1.527 28.204 29.700 0.051 0.000 1.466 464 E HN 0.868 nan 8.360 nan 0.000 0.455 465 A N -0.271 122.544 122.820 -0.009 0.000 2.783 465 A HA -0.361 3.958 4.320 -0.002 0.000 0.292 465 A C 1.363 178.968 177.584 0.034 0.000 1.495 465 A CA 1.951 54.005 52.037 0.029 0.000 0.787 465 A CB -1.065 17.798 19.000 -0.229 0.000 1.017 465 A HN 0.339 nan 8.150 nan 0.000 0.516 466 K N -1.711 118.661 120.400 -0.047 0.000 2.116 466 K HA 0.051 4.370 4.320 -0.002 0.000 0.203 466 K C 0.283 176.567 176.600 -0.526 0.000 1.052 466 K CA 1.375 57.508 56.287 -0.257 0.000 0.952 466 K CB 0.059 32.412 32.500 -0.246 0.000 0.729 466 K HN 0.746 nan 8.250 nan 0.000 0.446 467 Y N -0.414 119.843 120.300 -0.072 0.000 2.570 467 Y HA 0.331 4.880 4.550 -0.002 0.000 0.345 467 Y C -0.469 175.336 175.900 -0.160 0.000 1.014 467 Y CA -1.664 56.377 58.100 -0.099 0.000 1.063 467 Y CB 1.624 40.052 38.460 -0.054 0.000 1.272 467 Y HN -0.018 nan 8.280 nan 0.000 0.477 468 Y N -1.077 119.136 120.300 -0.145 0.000 2.504 468 Y HA 0.495 5.043 4.550 -0.002 0.000 0.344 468 Y C -1.088 174.812 175.900 0.001 0.000 1.023 468 Y CA -1.643 56.225 58.100 -0.388 0.000 1.020 468 Y CB 1.392 39.002 38.460 -1.417 0.000 1.282 468 Y HN 0.598 nan 8.280 nan 0.000 0.454 469 Q N 3.909 123.832 119.800 0.205 0.000 2.296 469 Q HA 0.506 4.845 4.340 -0.002 0.000 0.257 469 Q C -1.662 174.426 176.000 0.146 0.000 0.942 469 Q CA -0.528 55.353 55.803 0.129 0.000 0.939 469 Q CB 1.014 29.792 28.738 0.067 0.000 1.198 469 Q HN 0.963 nan 8.270 nan 0.000 0.429 470 L N 4.588 125.908 121.223 0.162 0.000 2.325 470 L HA 0.546 4.885 4.340 -0.002 0.000 0.279 470 L C -0.412 176.529 176.870 0.117 0.000 1.054 470 L CA -0.663 54.277 54.840 0.167 0.000 0.804 470 L CB 1.224 43.358 42.059 0.124 0.000 1.200 470 L HN 0.694 nan 8.230 nan 0.000 0.436 471 R N 2.166 122.717 120.500 0.085 0.000 2.502 471 R HA 0.521 4.860 4.340 -0.002 0.000 0.298 471 R C -0.892 175.248 176.300 -0.267 0.000 1.018 471 R CA -0.718 55.244 56.100 -0.230 0.000 0.899 471 R CB 0.921 31.024 30.300 -0.328 0.000 1.181 471 R HN 0.615 nan 8.270 nan 0.000 0.444 472 c N 1.911 120.201 118.600 -0.517 0.000 2.370 472 c HA 0.751 5.320 4.570 -0.002 0.000 0.354 472 c C 0.920 174.778 174.090 -0.386 0.000 1.218 472 c CA 0.001 55.925 56.329 -0.674 0.000 2.154 472 c CB 1.400 43.267 42.510 -1.072 0.000 2.391 472 c HN 1.013 nan 8.230 nan 0.000 0.540 473 S N 1.880 117.454 115.700 -0.210 0.000 2.701 473 S HA 0.642 5.111 4.470 -0.002 0.000 0.242 473 S C 0.415 174.974 174.600 -0.068 0.000 1.025 473 S CA 0.204 58.337 58.200 -0.112 0.000 1.016 473 S CB 0.004 63.169 63.200 -0.059 0.000 0.977 473 S HN 2.083 nan 8.310 nan 0.000 0.546 474 G N 1.858 110.604 108.800 -0.090 0.000 2.316 474 G HA2 0.419 4.378 3.960 -0.002 0.000 0.296 474 G HA3 0.419 4.378 3.960 -0.002 0.000 0.296 474 G C -3.083 171.794 174.900 -0.039 0.000 1.399 474 G CA -0.642 44.439 45.100 -0.032 0.000 0.833 474 G HN -0.141 nan 8.290 nan 0.000 0.565 475 P HA 0.149 nan 4.420 nan 0.000 0.241 475 P C 1.215 178.523 177.300 0.013 0.000 1.191 475 P CA 1.193 64.310 63.100 0.028 0.000 0.771 475 P CB 0.441 32.157 31.700 0.026 0.000 0.929 476 G N 0.233 108.979 108.800 -0.090 0.000 2.543 476 G HA2 0.459 4.418 3.960 -0.002 0.000 0.267 476 G HA3 0.459 4.418 3.960 -0.002 0.000 0.267 476 G C -0.433 174.226 174.900 -0.401 0.000 1.406 476 G CA -0.755 44.209 45.100 -0.227 0.000 1.048 476 G HN 0.037 nan 8.290 nan 0.000 0.548 477 L N 1.258 122.191 121.223 -0.484 0.000 2.439 477 L HA 0.228 4.567 4.340 -0.002 0.000 0.269 477 L C -1.932 174.803 176.870 -0.224 0.000 1.179 477 L CA -1.420 53.136 54.840 -0.473 0.000 0.828 477 L CB 0.880 42.711 42.059 -0.380 0.000 1.106 477 L HN 0.220 nan 8.230 nan 0.000 0.467 478 P HA 0.020 nan 4.420 nan 0.000 0.264 478 P C -0.874 176.351 177.300 -0.125 0.000 1.183 478 P CA 0.341 63.371 63.100 -0.117 0.000 0.763 478 P CB 0.471 32.211 31.700 0.067 0.000 0.807 479 L N 4.262 125.305 121.223 -0.300 0.000 2.381 479 L HA 0.451 4.790 4.340 -0.002 0.000 0.274 479 L C -1.181 175.466 176.870 -0.372 0.000 0.988 479 L CA -0.842 53.878 54.840 -0.201 0.000 0.824 479 L CB 1.182 43.151 42.059 -0.149 0.000 1.263 479 L HN 0.349 nan 8.230 nan 0.000 0.410 480 Y N 1.967 122.213 120.300 -0.090 0.000 2.328 480 Y HA 0.530 5.079 4.550 -0.002 0.000 0.336 480 Y C 0.444 176.217 175.900 -0.212 0.000 0.960 480 Y CA -0.616 57.402 58.100 -0.136 0.000 1.134 480 Y CB 2.155 40.503 38.460 -0.186 0.000 1.166 480 Y HN 0.507 nan 8.280 nan 0.000 0.464 481 T N 1.132 115.664 114.554 -0.035 0.000 2.901 481 T HA 0.694 5.043 4.350 -0.002 0.000 0.293 481 T C -1.332 173.279 174.700 -0.147 0.000 1.084 481 T CA -0.959 61.065 62.100 -0.127 0.000 1.008 481 T CB 1.779 70.603 68.868 -0.073 0.000 1.170 481 T HN 0.504 nan 8.240 nan 0.000 0.509 482 L N 1.536 122.576 121.223 -0.306 0.000 2.329 482 L HA 0.621 4.959 4.340 -0.002 0.000 0.279 482 L C -0.931 175.627 176.870 -0.519 0.000 1.014 482 L CA -0.720 53.973 54.840 -0.245 0.000 0.814 482 L CB 1.657 43.632 42.059 -0.141 0.000 1.257 482 L HN 0.897 nan 8.230 nan 0.000 0.424 483 H N 0.605 119.425 119.070 -0.417 0.000 2.908 483 H HA 0.510 5.065 4.556 -0.002 0.000 0.350 483 H C -0.809 174.232 175.328 -0.478 0.000 1.217 483 H CA -0.528 55.154 56.048 -0.611 0.000 1.168 483 H CB 2.105 31.140 29.762 -1.211 0.000 1.891 483 H HN 0.405 nan 8.280 nan 0.000 0.566 484 S N -0.272 115.298 115.700 -0.217 0.000 2.594 484 S HA 0.260 4.729 4.470 -0.002 0.000 0.296 484 S C 0.181 174.742 174.600 -0.066 0.000 1.124 484 S CA -0.630 57.473 58.200 -0.162 0.000 1.011 484 S CB 1.185 64.339 63.200 -0.077 0.000 1.016 484 S HN 0.591 nan 8.310 nan 0.000 0.485 485 S N 3.333 119.000 115.700 -0.055 0.000 2.447 485 S HA -0.070 4.398 4.470 -0.002 0.000 0.233 485 S C 1.908 176.531 174.600 0.037 0.000 1.006 485 S CA 0.999 59.267 58.200 0.114 0.000 0.957 485 S CB -0.335 62.930 63.200 0.108 0.000 0.773 485 S HN 0.631 nan 8.310 nan 0.000 0.507 486 V N 2.754 122.642 119.914 -0.043 0.000 2.231 486 V HA -0.263 3.856 4.120 -0.002 0.000 0.248 486 V C 1.320 177.414 176.094 -0.000 0.000 1.054 486 V CA 2.219 64.508 62.300 -0.018 0.000 1.015 486 V CB -0.646 31.152 31.823 -0.041 0.000 0.638 486 V HN 0.564 nan 8.190 nan 0.000 0.444 487 N N -1.831 116.866 118.700 -0.006 0.000 2.159 487 N HA 0.120 4.859 4.740 -0.002 0.000 0.217 487 N C -0.507 175.004 175.510 0.001 0.000 1.223 487 N CA 0.255 53.303 53.050 -0.004 0.000 0.896 487 N CB 0.771 39.256 38.487 -0.003 0.000 1.064 487 N HN 0.295 nan 8.380 nan 0.000 0.518 488 D N 0.729 121.147 120.400 0.030 0.000 2.800 488 D HA -0.181 4.458 4.640 -0.002 0.000 0.232 488 D C -0.200 176.131 176.300 0.053 0.000 1.137 488 D CA 0.928 54.974 54.000 0.077 0.000 0.718 488 D CB -0.986 39.850 40.800 0.061 0.000 1.084 488 D HN 0.410 nan 8.370 nan 0.000 0.432 489 K N 0.626 121.035 120.400 0.014 0.000 2.350 489 K HA 0.374 4.693 4.320 -0.002 0.000 0.279 489 K C 0.740 177.316 176.600 -0.041 0.000 1.027 489 K CA 0.132 56.414 56.287 -0.008 0.000 0.969 489 K CB 0.708 33.194 32.500 -0.023 0.000 0.954 489 K HN 0.128 nan 8.250 nan 0.000 0.474 490 G N 4.226 112.981 108.800 -0.076 0.000 2.350 490 G HA2 0.270 4.228 3.960 -0.002 0.000 0.306 490 G HA3 0.270 4.228 3.960 -0.002 0.000 0.306 490 G C 0.566 175.322 174.900 -0.241 0.000 1.094 490 G CA -0.506 44.428 45.100 -0.275 0.000 0.953 490 G HN 0.630 nan 8.290 nan 0.000 0.420 491 L N 1.954 123.011 121.223 -0.276 0.000 2.062 491 L HA 0.330 4.669 4.340 -0.002 0.000 0.202 491 L C 1.538 178.314 176.870 -0.157 0.000 1.079 491 L CA 0.778 55.521 54.840 -0.161 0.000 0.755 491 L CB -0.152 41.843 42.059 -0.107 0.000 0.913 491 L HN 0.336 nan 8.230 nan 0.000 0.445 492 R N -0.864 119.513 120.500 -0.206 0.000 2.673 492 R HA 0.538 4.877 4.340 -0.002 0.000 0.281 492 R C -1.447 174.729 176.300 -0.206 0.000 0.991 492 R CA -0.620 55.382 56.100 -0.164 0.000 0.896 492 R CB 2.546 32.766 30.300 -0.134 0.000 1.201 492 R HN -0.225 nan 8.270 nan 0.000 0.457 493 V N 5.559 125.378 119.914 -0.159 0.000 2.432 493 V HA 0.131 4.250 4.120 -0.002 0.000 0.271 493 V C 0.999 176.963 176.094 -0.217 0.000 1.046 493 V CA -0.013 62.192 62.300 -0.159 0.000 0.945 493 V CB 1.223 32.987 31.823 -0.098 0.000 0.992 493 V HN 0.728 nan 8.190 nan 0.000 0.471 494 L N 2.539 123.557 121.223 -0.341 0.000 2.221 494 L HA 0.356 4.694 4.340 -0.002 0.000 0.202 494 L C 0.669 177.260 176.870 -0.464 0.000 1.074 494 L CA 0.594 55.037 54.840 -0.662 0.000 0.795 494 L CB 0.201 41.431 42.059 -1.382 0.000 0.960 494 L HN 0.640 nan 8.230 nan 0.000 0.458 495 E N 0.110 120.180 120.200 -0.216 0.000 2.343 495 E HA 0.090 4.439 4.350 -0.002 0.000 0.288 495 E C -1.156 175.501 176.600 0.094 0.000 0.907 495 E CA -0.318 56.077 56.400 -0.008 0.000 0.792 495 E CB 1.151 30.862 29.700 0.019 0.000 1.275 495 E HN 0.179 nan 8.360 nan 0.000 0.402 496 D N 3.558 123.991 120.400 0.056 0.000 2.469 496 D HA 0.078 4.716 4.640 -0.002 0.000 0.213 496 D C -0.417 175.902 176.300 0.032 0.000 1.135 496 D CA -0.217 53.803 54.000 0.034 0.000 0.834 496 D CB -0.046 40.752 40.800 -0.004 0.000 1.009 496 D HN 0.490 nan 8.370 nan 0.000 0.507 497 N N 0.988 119.726 118.700 0.063 0.000 2.721 497 N HA -0.229 4.510 4.740 -0.002 0.000 0.249 497 N C 1.054 176.578 175.510 0.023 0.000 1.072 497 N CA 0.886 53.967 53.050 0.052 0.000 0.710 497 N CB -1.302 37.212 38.487 0.045 0.000 0.993 497 N HN 0.432 nan 8.380 nan 0.000 0.547 498 S N -0.301 115.414 115.700 0.024 0.000 2.355 498 S HA -0.043 4.425 4.470 -0.002 0.000 0.222 498 S C 2.101 176.718 174.600 0.028 0.000 1.031 498 S CA 1.355 59.564 58.200 0.015 0.000 0.993 498 S CB -0.035 63.175 63.200 0.016 0.000 0.859 498 S HN 0.489 nan 8.310 nan 0.000 0.453 499 A N 1.878 124.724 122.820 0.043 0.000 1.917 499 A HA 0.010 4.329 4.320 -0.002 0.000 0.219 499 A C 2.397 180.026 177.584 0.075 0.000 1.182 499 A CA 1.619 53.690 52.037 0.056 0.000 0.633 499 A CB -1.003 18.033 19.000 0.060 0.000 0.819 499 A HN 0.612 nan 8.150 nan 0.000 0.448 500 L N -0.778 120.492 121.223 0.080 0.000 2.093 500 L HA -0.166 4.173 4.340 -0.002 0.000 0.208 500 L C 2.301 179.207 176.870 0.060 0.000 1.085 500 L CA 2.056 56.960 54.840 0.106 0.000 0.755 500 L CB -0.587 41.536 42.059 0.106 0.000 0.904 500 L HN 0.479 nan 8.230 nan 0.000 0.435 501 D N 0.894 121.301 120.400 0.012 0.000 2.120 501 D HA -0.267 4.372 4.640 -0.002 0.000 0.191 501 D C 1.956 178.261 176.300 0.008 0.000 0.994 501 D CA 2.279 56.267 54.000 -0.020 0.000 0.838 501 D CB 0.108 40.888 40.800 -0.033 0.000 0.976 501 D HN 0.424 nan 8.370 nan 0.000 0.447 502 K N 0.015 120.431 120.400 0.026 0.000 2.211 502 K HA -0.104 4.215 4.320 -0.002 0.000 0.204 502 K C 2.397 179.036 176.600 0.066 0.000 1.047 502 K CA 1.047 57.357 56.287 0.038 0.000 0.935 502 K CB -0.314 32.209 32.500 0.037 0.000 0.728 502 K HN 0.214 nan 8.250 nan 0.000 0.452 503 M N 0.667 120.328 119.600 0.102 0.000 2.132 503 M HA -0.060 4.419 4.480 -0.002 0.000 0.263 503 M C 1.870 178.256 176.300 0.142 0.000 1.065 503 M CA 1.599 57.008 55.300 0.182 0.000 1.122 503 M CB -0.112 32.665 32.600 0.294 0.000 1.365 503 M HN 0.139 nan 8.290 nan 0.000 0.411 504 L N -0.964 120.284 121.223 0.041 0.000 2.478 504 L HA -0.117 4.222 4.340 -0.002 0.000 0.223 504 L C 2.148 178.999 176.870 -0.032 0.000 1.140 504 L CA 0.419 55.216 54.840 -0.071 0.000 0.842 504 L CB -0.408 41.595 42.059 -0.093 0.000 0.953 504 L HN 0.331 nan 8.230 nan 0.000 0.452 505 Q N 0.479 120.280 119.800 0.002 0.000 2.226 505 Q HA -0.145 4.194 4.340 -0.002 0.000 0.204 505 Q C 1.300 177.313 176.000 0.022 0.000 0.975 505 Q CA 1.277 57.083 55.803 0.005 0.000 0.866 505 Q CB 0.044 28.789 28.738 0.012 0.000 0.915 505 Q HN 0.574 nan 8.270 nan 0.000 0.440 506 N N -0.959 117.768 118.700 0.044 0.000 2.322 506 N HA 0.084 4.822 4.740 -0.002 0.000 0.194 506 N C -1.065 174.486 175.510 0.069 0.000 1.126 506 N CA -0.382 52.707 53.050 0.064 0.000 0.845 506 N CB 1.041 39.580 38.487 0.086 0.000 0.976 506 N HN -0.073 nan 8.380 nan 0.000 0.475 507 V N 0.994 120.929 119.914 0.036 0.000 2.667 507 V HA 0.153 4.272 4.120 -0.002 0.000 0.308 507 V C 0.182 176.290 176.094 0.024 0.000 1.048 507 V CA -0.775 61.547 62.300 0.036 0.000 0.928 507 V CB 2.176 33.977 31.823 -0.036 0.000 1.004 507 V HN 0.087 nan 8.190 nan 0.000 0.444 508 Q N 3.430 123.262 119.800 0.054 0.000 2.837 508 Q HA 0.263 4.602 4.340 -0.002 0.000 0.235 508 Q C -0.398 175.598 176.000 -0.007 0.000 1.348 508 Q CA -0.219 55.603 55.803 0.032 0.000 0.990 508 Q CB 0.237 29.031 28.738 0.093 0.000 1.570 508 Q HN 0.513 nan 8.270 nan 0.000 0.575 509 M N 2.981 122.551 119.600 -0.049 0.000 2.242 509 M HA 0.304 4.782 4.480 -0.002 0.000 0.344 509 M C -2.038 174.202 176.300 -0.100 0.000 1.140 509 M CA -2.270 52.984 55.300 -0.077 0.000 1.160 509 M CB 0.112 32.668 32.600 -0.074 0.000 1.491 509 M HN 0.243 nan 8.290 nan 0.000 0.459 510 P HA 0.280 nan 4.420 nan 0.000 0.279 510 P C -0.878 176.342 177.300 -0.133 0.000 1.252 510 P CA -0.464 62.550 63.100 -0.143 0.000 0.811 510 P CB 0.580 32.179 31.700 -0.168 0.000 1.035 511 S N 0.143 115.747 115.700 -0.159 0.000 2.681 511 S HA 0.543 5.012 4.470 -0.002 0.000 0.299 511 S C -0.349 174.155 174.600 -0.160 0.000 1.113 511 S CA -0.806 57.312 58.200 -0.137 0.000 1.013 511 S CB 1.552 64.669 63.200 -0.137 0.000 1.076 511 S HN 0.440 nan 8.310 nan 0.000 0.534 512 K N 0.532 120.864 120.400 -0.113 0.000 2.221 512 K HA 0.385 4.704 4.320 -0.002 0.000 0.258 512 K C -1.183 175.354 176.600 -0.105 0.000 0.944 512 K CA -0.567 55.655 56.287 -0.107 0.000 0.823 512 K CB 1.227 33.691 32.500 -0.062 0.000 1.113 512 K HN 0.738 nan 8.250 nan 0.000 0.431 513 K N 5.720 126.050 120.400 -0.117 0.000 2.450 513 K HA 0.304 4.623 4.320 -0.002 0.000 0.257 513 K C -1.431 175.101 176.600 -0.113 0.000 0.953 513 K CA -0.585 55.634 56.287 -0.114 0.000 0.844 513 K CB 1.035 33.447 32.500 -0.147 0.000 1.103 513 K HN 0.573 nan 8.250 nan 0.000 0.429 514 L N 4.373 125.549 121.223 -0.079 0.000 2.296 514 L HA 0.462 4.801 4.340 -0.002 0.000 0.286 514 L C -0.853 175.955 176.870 -0.104 0.000 1.023 514 L CA -0.156 54.660 54.840 -0.040 0.000 0.812 514 L CB 1.257 43.382 42.059 0.111 0.000 1.223 514 L HN 0.840 nan 8.230 nan 0.000 0.421 515 D N 2.309 122.493 120.400 -0.361 0.000 2.768 515 D HA 0.448 5.087 4.640 -0.002 0.000 0.327 515 D C -1.538 174.395 176.300 -0.613 0.000 1.302 515 D CA -0.025 53.624 54.000 -0.584 0.000 0.897 515 D CB 2.232 42.652 40.800 -0.633 0.000 1.420 515 D HN 0.183 nan 8.370 nan 0.000 0.494 516 F N -0.186 119.512 119.950 -0.420 0.000 2.620 516 F HA 0.764 5.289 4.527 -0.002 0.000 0.320 516 F C -0.479 175.435 175.800 0.190 0.000 1.069 516 F CA -1.089 56.753 58.000 -0.262 0.000 0.953 516 F CB 0.659 39.063 39.000 -0.994 0.000 1.322 516 F HN 0.226 nan 8.300 nan 0.000 0.479 517 I N -0.525 120.388 120.570 0.572 0.000 3.002 517 I HA 0.710 4.879 4.170 -0.002 0.000 0.310 517 I C -1.209 175.148 176.117 0.399 0.000 1.087 517 I CA -1.286 60.268 61.300 0.423 0.000 1.017 517 I CB 2.217 40.393 38.000 0.293 0.000 1.226 517 I HN 0.581 nan 8.210 nan 0.000 0.443 518 I N 3.754 124.491 120.570 0.278 0.000 2.353 518 I HA 0.443 4.611 4.170 -0.002 0.000 0.293 518 I C -0.732 175.528 176.117 0.238 0.000 0.992 518 I CA -0.278 61.160 61.300 0.229 0.000 1.268 518 I CB 1.279 39.365 38.000 0.145 0.000 1.387 518 I HN 0.349 nan 8.210 nan 0.000 0.478 519 L N 6.473 127.900 121.223 0.341 0.000 2.439 519 L HA 0.397 4.736 4.340 -0.002 0.000 0.270 519 L C -0.099 176.935 176.870 0.273 0.000 0.972 519 L CA -0.708 54.303 54.840 0.285 0.000 0.836 519 L CB 1.474 43.704 42.059 0.285 0.000 1.255 519 L HN 0.621 nan 8.230 nan 0.000 0.404 520 N N 3.823 122.604 118.700 0.136 0.000 2.688 520 N HA -0.211 4.528 4.740 -0.002 0.000 0.258 520 N C 0.254 175.814 175.510 0.083 0.000 1.016 520 N CA 1.327 54.431 53.050 0.091 0.000 0.747 520 N CB -0.321 38.212 38.487 0.077 0.000 0.895 520 N HN 0.875 nan 8.380 nan 0.000 0.543 521 E N -3.206 117.034 120.200 0.067 0.000 3.680 521 E HA -0.236 4.113 4.350 -0.002 0.000 0.309 521 E C -0.415 176.185 176.600 -0.000 0.000 0.793 521 E CA 1.467 57.885 56.400 0.031 0.000 1.083 521 E CB -1.058 28.650 29.700 0.013 0.000 1.548 521 E HN 0.481 nan 8.360 nan 0.000 0.456 522 T N 0.481 115.043 114.554 0.013 0.000 2.895 522 T HA 0.419 4.768 4.350 -0.002 0.000 0.283 522 T C -0.057 174.499 174.700 -0.239 0.000 1.014 522 T CA -0.659 61.347 62.100 -0.157 0.000 1.037 522 T CB 1.538 70.259 68.868 -0.244 0.000 1.006 522 T HN -0.041 nan 8.240 nan 0.000 0.468 523 K N 1.965 122.139 120.400 -0.376 0.000 2.276 523 K HA 0.460 4.779 4.320 -0.002 0.000 0.285 523 K C -1.120 175.213 176.600 -0.445 0.000 1.062 523 K CA -0.047 56.033 56.287 -0.346 0.000 0.918 523 K CB 0.298 32.505 32.500 -0.489 0.000 1.055 523 K HN 0.377 nan 8.250 nan 0.000 0.477 524 F N 2.129 122.161 119.950 0.138 0.000 2.507 524 F HA 0.397 4.923 4.527 -0.002 0.000 0.325 524 F C -0.511 175.450 175.800 0.268 0.000 1.116 524 F CA -0.782 57.339 58.000 0.202 0.000 0.930 524 F CB 1.045 40.189 39.000 0.239 0.000 1.146 524 F HN 0.385 nan 8.300 nan 0.000 0.447 525 W N 3.481 124.957 121.300 0.295 0.000 2.381 525 W HA 0.537 5.196 4.660 -0.002 0.000 0.329 525 W C -0.661 176.077 176.519 0.365 0.000 1.157 525 W CA -0.716 56.824 57.345 0.325 0.000 1.240 525 W CB 0.770 30.349 29.460 0.199 0.000 1.199 525 W HN 0.443 nan 8.180 nan 0.000 0.579 526 Y N -0.110 120.532 120.300 0.571 0.000 2.609 526 Y HA 0.672 5.221 4.550 -0.002 0.000 0.342 526 Y C -0.736 175.382 175.900 0.363 0.000 1.058 526 Y CA -1.814 56.609 58.100 0.538 0.000 1.055 526 Y CB 1.106 40.039 38.460 0.787 0.000 1.292 526 Y HN 0.574 nan 8.280 nan 0.000 0.476 527 Q N 2.135 122.155 119.800 0.366 0.000 2.399 527 Q HA 0.763 5.101 4.340 -0.002 0.000 0.276 527 Q C -1.668 174.458 176.000 0.211 0.000 1.098 527 Q CA -1.199 54.700 55.803 0.161 0.000 0.827 527 Q CB 3.211 32.012 28.738 0.106 0.000 1.386 527 Q HN 0.884 nan 8.270 nan 0.000 0.443 528 M N 1.882 121.518 119.600 0.059 0.000 2.327 528 M HA 0.421 4.900 4.480 -0.002 0.000 0.298 528 M C -1.353 174.879 176.300 -0.113 0.000 1.065 528 M CA -0.873 54.407 55.300 -0.033 0.000 0.916 528 M CB 2.286 34.835 32.600 -0.086 0.000 1.630 528 M HN 0.586 nan 8.290 nan 0.000 0.442 529 I N 4.925 125.425 120.570 -0.117 0.000 2.312 529 I HA 0.359 4.528 4.170 -0.002 0.000 0.291 529 I C -0.552 175.416 176.117 -0.249 0.000 1.031 529 I CA -0.227 60.975 61.300 -0.165 0.000 1.293 529 I CB 0.406 38.330 38.000 -0.127 0.000 1.403 529 I HN 0.626 nan 8.210 nan 0.000 0.484 530 L N 8.416 129.439 121.223 -0.333 0.000 2.307 530 L HA 0.435 4.774 4.340 -0.002 0.000 0.284 530 L C -2.181 174.469 176.870 -0.367 0.000 1.023 530 L CA -1.849 52.681 54.840 -0.517 0.000 0.810 530 L CB 1.698 43.265 42.059 -0.820 0.000 1.231 530 L HN 0.253 nan 8.230 nan 0.000 0.423 531 P HA 0.005 nan 4.420 nan 0.000 0.266 531 P C -2.418 174.834 177.300 -0.080 0.000 1.193 531 P CA -0.651 62.359 63.100 -0.150 0.000 0.770 531 P CB -0.253 31.391 31.700 -0.094 0.000 0.836 532 P HA 0.013 nan 4.420 nan 0.000 0.272 532 P C -0.404 176.903 177.300 0.013 0.000 1.223 532 P CA 0.188 63.227 63.100 -0.102 0.000 0.784 532 P CB -0.042 31.585 31.700 -0.123 0.000 0.923 533 H N -2.326 116.782 119.070 0.063 0.000 2.741 533 H HA -0.221 4.334 4.556 -0.002 0.000 0.305 533 H C -0.029 175.368 175.328 0.115 0.000 1.169 533 H CA 0.078 56.170 56.048 0.073 0.000 1.144 533 H CB -2.621 27.176 29.762 0.058 0.000 1.397 533 H HN 0.309 nan 8.280 nan 0.000 0.409 534 F N 2.277 122.223 119.950 -0.007 0.000 2.593 534 F HA 0.088 4.614 4.527 -0.002 0.000 0.393 534 F C 0.558 176.368 175.800 0.018 0.000 1.037 534 F CA -0.138 57.816 58.000 -0.077 0.000 1.195 534 F CB 0.308 39.155 39.000 -0.256 0.000 1.034 534 F HN 0.265 nan 8.300 nan 0.000 0.552 535 D N 6.009 126.179 120.400 -0.383 0.000 2.440 535 D HA 0.152 4.790 4.640 -0.002 0.000 0.239 535 D C 0.689 176.658 176.300 -0.552 0.000 1.084 535 D CA -0.570 53.211 54.000 -0.365 0.000 0.843 535 D CB 1.001 41.737 40.800 -0.106 0.000 1.097 535 D HN 0.623 nan 8.370 nan 0.000 0.531 536 K N 1.424 121.464 120.400 -0.599 0.000 2.515 536 K HA -0.089 4.230 4.320 -0.002 0.000 0.196 536 K C 0.769 177.338 176.600 -0.050 0.000 1.038 536 K CA 0.832 56.892 56.287 -0.378 0.000 0.967 536 K CB -0.102 32.279 32.500 -0.198 0.000 0.780 536 K HN 0.236 nan 8.250 nan 0.000 0.483 537 S N -0.564 115.086 115.700 -0.083 0.000 2.577 537 S HA 0.209 4.678 4.470 -0.002 0.000 0.219 537 S C 0.268 174.834 174.600 -0.057 0.000 0.962 537 S CA -0.610 57.568 58.200 -0.037 0.000 0.921 537 S CB 0.194 63.368 63.200 -0.044 0.000 0.789 537 S HN 0.060 nan 8.310 nan 0.000 0.497 538 K N 1.595 121.945 120.400 -0.083 0.000 2.238 538 K HA 0.497 4.816 4.320 -0.002 0.000 0.239 538 K C -0.763 175.722 176.600 -0.192 0.000 0.987 538 K CA -0.466 55.706 56.287 -0.191 0.000 0.857 538 K CB 1.535 33.837 32.500 -0.329 0.000 1.154 538 K HN 0.182 nan 8.250 nan 0.000 0.439 539 K N 2.204 122.432 120.400 -0.286 0.000 2.307 539 K HA 0.324 4.643 4.320 -0.002 0.000 0.263 539 K C -0.917 175.512 176.600 -0.285 0.000 0.973 539 K CA -0.575 55.617 56.287 -0.157 0.000 0.846 539 K CB 1.021 33.460 32.500 -0.101 0.000 1.100 539 K HN 0.383 nan 8.250 nan 0.000 0.438 540 Y N 2.637 122.966 120.300 0.047 0.000 2.409 540 Y HA 0.281 4.830 4.550 -0.002 0.000 0.339 540 Y C -1.994 173.847 175.900 -0.098 0.000 1.033 540 Y CA -2.594 55.513 58.100 0.012 0.000 1.094 540 Y CB 1.074 39.610 38.460 0.127 0.000 1.210 540 Y HN 0.483 nan 8.280 nan 0.000 0.456 541 P HA 0.170 nan 4.420 nan 0.000 0.272 541 P C -1.099 176.057 177.300 -0.240 0.000 1.230 541 P CA -0.221 62.594 63.100 -0.474 0.000 0.788 541 P CB 1.531 32.543 31.700 -1.147 0.000 0.949 542 L N 1.865 122.973 121.223 -0.193 0.000 2.409 542 L HA 0.506 4.845 4.340 -0.002 0.000 0.272 542 L C -1.046 176.011 176.870 0.311 0.000 0.980 542 L CA -0.995 53.894 54.840 0.082 0.000 0.826 542 L CB 1.674 43.783 42.059 0.083 0.000 1.268 542 L HN 0.213 nan 8.230 nan 0.000 0.407 543 L N 5.379 126.806 121.223 0.340 0.000 2.272 543 L HA 0.459 4.798 4.340 -0.002 0.000 0.289 543 L C -0.954 176.152 176.870 0.394 0.000 1.032 543 L CA -0.354 54.737 54.840 0.419 0.000 0.810 543 L CB 1.217 43.474 42.059 0.330 0.000 1.205 543 L HN 0.612 nan 8.230 nan 0.000 0.422 544 L N 4.987 126.489 121.223 0.466 0.000 2.283 544 L HA 0.238 4.577 4.340 -0.002 0.000 0.287 544 L C -0.535 176.582 176.870 0.412 0.000 1.073 544 L CA -0.233 54.871 54.840 0.441 0.000 0.822 544 L CB 0.830 43.184 42.059 0.491 0.000 1.186 544 L HN 0.639 nan 8.230 nan 0.000 0.436 545 D N 4.183 124.806 120.400 0.371 0.000 2.339 545 D HA 0.293 4.932 4.640 -0.002 0.000 0.241 545 D C -0.712 175.691 176.300 0.171 0.000 1.183 545 D CA -0.115 54.037 54.000 0.253 0.000 0.859 545 D CB 1.228 42.231 40.800 0.339 0.000 1.067 545 D HN 0.106 nan 8.370 nan 0.000 0.484 546 V N 4.774 124.713 119.914 0.042 0.000 2.628 546 V HA 0.354 4.472 4.120 -0.002 0.000 0.306 546 V C -0.143 176.047 176.094 0.160 0.000 1.045 546 V CA -0.731 61.646 62.300 0.129 0.000 0.905 546 V CB 1.559 33.446 31.823 0.106 0.000 0.997 546 V HN 0.601 nan 8.190 nan 0.000 0.436 547 Y N 2.946 123.316 120.300 0.117 0.000 3.116 547 Y HA 0.530 5.079 4.550 -0.002 0.000 0.220 547 Y C 1.639 177.670 175.900 0.217 0.000 0.965 547 Y CA 1.040 59.235 58.100 0.160 0.000 1.476 547 Y CB 0.114 38.650 38.460 0.127 0.000 1.493 547 Y HN 0.808 nan 8.280 nan 0.000 0.423 548 A N 1.188 124.173 122.820 0.275 0.000 2.832 548 A HA -0.131 4.188 4.320 -0.002 0.000 0.280 548 A C 0.776 178.258 177.584 -0.171 0.000 1.464 548 A CA 0.952 53.071 52.037 0.136 0.000 0.804 548 A CB -2.287 16.833 19.000 0.200 0.000 1.020 548 A HN 0.914 nan 8.150 nan 0.000 0.563 549 G N -1.039 107.475 108.800 -0.477 0.000 2.562 549 G HA2 0.546 4.504 3.960 -0.002 0.000 0.275 549 G HA3 0.546 4.504 3.960 -0.002 0.000 0.275 549 G C -2.366 172.272 174.900 -0.437 0.000 1.196 549 G CA -1.221 43.194 45.100 -1.141 0.000 0.908 549 G HN 0.288 nan 8.290 nan 0.000 0.524 550 P HA 0.110 nan 4.420 nan 0.000 0.264 550 P C 0.581 177.767 177.300 -0.190 0.000 1.193 550 P CA 0.021 62.890 63.100 -0.385 0.000 0.763 550 P CB 0.815 31.964 31.700 -0.919 0.000 0.810 551 C N 2.135 121.370 119.300 -0.107 0.000 4.392 551 C HA -0.161 4.297 4.460 -0.002 0.000 0.280 551 C C 1.086 176.134 174.990 0.097 0.000 1.381 551 C CA 1.258 60.188 59.018 -0.147 0.000 1.871 551 C CB -2.689 24.774 27.740 -0.462 0.000 1.323 551 C HN 0.813 nan 8.230 nan 0.000 0.772 552 S N -0.007 115.798 115.700 0.175 0.000 2.614 552 S HA 0.540 5.009 4.470 -0.002 0.000 0.265 552 S C -0.581 174.185 174.600 0.276 0.000 1.303 552 S CA 0.307 58.677 58.200 0.284 0.000 1.000 552 S CB 1.582 64.998 63.200 0.360 0.000 0.935 552 S HN 0.853 nan 8.310 nan 0.000 0.551 553 Q N -0.116 119.856 119.800 0.287 0.000 2.334 553 Q HA 0.357 4.696 4.340 -0.002 0.000 0.249 553 Q C -0.978 175.135 176.000 0.189 0.000 0.909 553 Q CA -0.580 55.379 55.803 0.259 0.000 0.823 553 Q CB 1.023 29.957 28.738 0.326 0.000 1.353 553 Q HN 0.636 nan 8.270 nan 0.000 0.433 554 K N 1.365 121.876 120.400 0.186 0.000 2.374 554 K HA 0.389 4.707 4.320 -0.002 0.000 0.202 554 K C -0.685 176.016 176.600 0.170 0.000 1.040 554 K CA 0.370 56.761 56.287 0.172 0.000 1.085 554 K CB 1.689 34.318 32.500 0.214 0.000 0.873 554 K HN 0.504 nan 8.250 nan 0.000 0.539 555 A N 2.507 125.431 122.820 0.172 0.000 2.431 555 A HA 0.454 4.773 4.320 -0.002 0.000 0.318 555 A C -0.782 176.867 177.584 0.109 0.000 1.330 555 A CA -0.595 51.548 52.037 0.177 0.000 0.804 555 A CB 0.285 19.453 19.000 0.279 0.000 1.135 555 A HN 0.205 nan 8.150 nan 0.000 0.483 556 D N 0.108 120.545 120.400 0.063 0.000 2.867 556 D HA 0.459 5.098 4.640 -0.002 0.000 0.308 556 D C 0.603 176.908 176.300 0.008 0.000 1.202 556 D CA 0.424 54.444 54.000 0.033 0.000 1.035 556 D CB 0.206 41.027 40.800 0.034 0.000 1.427 556 D HN 0.189 nan 8.370 nan 0.000 0.570 557 T N -2.547 112.014 114.554 0.012 0.000 3.092 557 T HA 0.310 4.659 4.350 -0.002 0.000 0.258 557 T C 0.493 175.141 174.700 -0.087 0.000 1.031 557 T CA -0.324 61.782 62.100 0.010 0.000 0.925 557 T CB -0.582 68.346 68.868 0.100 0.000 1.036 557 T HN 0.272 nan 8.240 nan 0.000 0.544 558 V N 2.675 122.422 119.914 -0.279 0.000 2.655 558 V HA 0.244 4.363 4.120 -0.002 0.000 0.300 558 V C 0.201 176.238 176.094 -0.096 0.000 1.044 558 V CA -0.778 61.337 62.300 -0.309 0.000 1.095 558 V CB -0.296 31.233 31.823 -0.489 0.000 0.952 558 V HN 0.535 nan 8.190 nan 0.000 0.485 559 F N 6.354 126.207 119.950 -0.161 0.000 2.444 559 F HA 0.483 5.009 4.527 -0.002 0.000 0.360 559 F C 0.580 176.324 175.800 -0.092 0.000 1.106 559 F CA -0.208 57.724 58.000 -0.114 0.000 1.170 559 F CB 0.157 39.099 39.000 -0.096 0.000 1.113 559 F HN 0.436 nan 8.300 nan 0.000 0.521 560 R N 6.661 126.732 120.500 -0.715 0.000 2.670 560 R HA 0.564 4.903 4.340 -0.002 0.000 0.289 560 R C -1.441 174.419 176.300 -0.733 0.000 0.965 560 R CA -1.085 54.690 56.100 -0.542 0.000 0.899 560 R CB 2.051 32.192 30.300 -0.265 0.000 1.173 560 R HN 0.675 nan 8.270 nan 0.000 0.456 561 L N 4.399 125.375 121.223 -0.411 0.000 2.337 561 L HA 0.352 4.690 4.340 -0.002 0.000 0.269 561 L C -0.575 176.281 176.870 -0.024 0.000 1.018 561 L CA -0.631 54.043 54.840 -0.276 0.000 0.876 561 L CB 0.416 42.432 42.059 -0.073 0.000 1.236 561 L HN 0.738 nan 8.230 nan 0.000 0.436 562 N N 0.089 118.696 118.700 -0.155 0.000 3.343 562 N HA 0.188 4.927 4.740 -0.002 0.000 0.330 562 N C 0.258 175.404 175.510 -0.608 0.000 1.560 562 N CA -0.902 51.949 53.050 -0.332 0.000 0.752 562 N CB 0.180 38.586 38.487 -0.135 0.000 1.863 562 N HN 0.284 nan 8.380 nan 0.000 0.636 563 W N 0.592 121.232 121.300 -1.101 0.000 2.358 563 W HA 0.151 4.810 4.660 -0.002 0.000 0.303 563 W C 2.054 178.513 176.519 -0.100 0.000 1.208 563 W CA 2.794 59.773 57.345 -0.609 0.000 1.274 563 W CB -1.000 28.261 29.460 -0.333 0.000 1.138 563 W HN 0.693 nan 8.180 nan 0.000 0.515 564 A N -0.488 122.293 122.820 -0.065 0.000 1.978 564 A HA -0.209 4.110 4.320 -0.002 0.000 0.220 564 A C 1.933 179.406 177.584 -0.185 0.000 1.170 564 A CA 2.448 54.395 52.037 -0.151 0.000 0.636 564 A CB -1.287 17.718 19.000 0.008 0.000 0.810 564 A HN 0.302 nan 8.150 nan 0.000 0.448 565 T N -1.237 113.214 114.554 -0.172 0.000 2.684 565 T HA -0.217 4.132 4.350 -0.002 0.000 0.267 565 T C 1.802 176.480 174.700 -0.037 0.000 1.036 565 T CA 1.823 63.790 62.100 -0.221 0.000 1.148 565 T CB -0.467 68.124 68.868 -0.463 0.000 0.863 565 T HN 0.722 nan 8.240 nan 0.000 0.436 566 Y N 1.708 122.036 120.300 0.047 0.000 2.200 566 Y HA 0.050 4.599 4.550 -0.002 0.000 0.290 566 Y C 1.970 177.847 175.900 -0.039 0.000 1.137 566 Y CA 0.829 59.023 58.100 0.156 0.000 1.163 566 Y CB -0.692 37.881 38.460 0.189 0.000 0.988 566 Y HN 0.100 nan 8.280 nan 0.000 0.518 567 L N 0.303 121.107 121.223 -0.698 0.000 2.079 567 L HA -0.229 4.110 4.340 -0.002 0.000 0.210 567 L C 2.799 179.423 176.870 -0.411 0.000 1.081 567 L CA 1.377 55.758 54.840 -0.765 0.000 0.752 567 L CB -0.854 40.790 42.059 -0.692 0.000 0.896 567 L HN 0.443 nan 8.230 nan 0.000 0.433 568 A N -1.506 121.147 122.820 -0.278 0.000 1.898 568 A HA -0.168 4.150 4.320 -0.002 0.000 0.214 568 A C 2.500 180.011 177.584 -0.122 0.000 1.183 568 A CA 1.731 53.660 52.037 -0.180 0.000 0.622 568 A CB -0.520 18.371 19.000 -0.181 0.000 0.824 568 A HN 0.344 nan 8.150 nan 0.000 0.444 569 S N -1.479 114.166 115.700 -0.092 0.000 2.377 569 S HA -0.080 4.389 4.470 -0.002 0.000 0.223 569 S C 1.991 176.608 174.600 0.029 0.000 1.030 569 S CA 2.076 60.273 58.200 -0.004 0.000 0.970 569 S CB -0.324 62.917 63.200 0.069 0.000 0.830 569 S HN 0.539 nan 8.310 nan 0.000 0.473 570 T N 1.333 115.881 114.554 -0.009 0.000 2.953 570 T HA 0.177 4.526 4.350 -0.002 0.000 0.247 570 T C 1.394 176.070 174.700 -0.041 0.000 1.029 570 T CA 0.573 62.686 62.100 0.022 0.000 1.144 570 T CB -0.106 68.844 68.868 0.138 0.000 0.870 570 T HN 0.305 nan 8.240 nan 0.000 0.446 571 E N 1.522 121.610 120.200 -0.186 0.000 2.474 571 E HA 0.138 4.487 4.350 -0.002 0.000 0.194 571 E C 0.045 176.631 176.600 -0.024 0.000 1.041 571 E CA -0.020 56.310 56.400 -0.116 0.000 0.874 571 E CB -0.089 29.481 29.700 -0.216 0.000 0.914 571 E HN 0.375 nan 8.360 nan 0.000 0.498 572 N N 0.704 119.396 118.700 -0.014 0.000 2.738 572 N HA -0.203 4.536 4.740 -0.002 0.000 0.249 572 N C -0.641 174.942 175.510 0.121 0.000 1.047 572 N CA 0.654 53.758 53.050 0.090 0.000 0.707 572 N CB -1.569 37.032 38.487 0.191 0.000 0.937 572 N HN 0.261 nan 8.380 nan 0.000 0.545 573 I N 1.024 121.601 120.570 0.012 0.000 2.404 573 I HA 0.351 4.520 4.170 -0.002 0.000 0.293 573 I C 0.968 177.067 176.117 -0.030 0.000 0.992 573 I CA -0.727 60.595 61.300 0.036 0.000 1.149 573 I CB 1.423 39.468 38.000 0.075 0.000 1.315 573 I HN -0.030 nan 8.210 nan 0.000 0.446 574 I N 6.626 127.189 120.570 -0.012 0.000 2.517 574 I HA 0.080 4.248 4.170 -0.002 0.000 0.285 574 I C -0.274 175.838 176.117 -0.009 0.000 1.106 574 I CA -0.251 61.007 61.300 -0.071 0.000 1.402 574 I CB 0.552 38.523 38.000 -0.048 0.000 1.399 574 I HN 0.209 nan 8.210 nan 0.000 0.535 575 V N 7.160 127.054 119.914 -0.033 0.000 2.318 575 V HA 0.467 4.586 4.120 -0.002 0.000 0.271 575 V C 0.606 176.738 176.094 0.063 0.000 1.030 575 V CA -0.484 61.845 62.300 0.049 0.000 0.844 575 V CB 0.877 32.721 31.823 0.035 0.000 1.015 575 V HN 0.836 nan 8.190 nan 0.000 0.460 576 A N 4.093 126.980 122.820 0.113 0.000 2.303 576 A HA 0.869 5.188 4.320 -0.002 0.000 0.317 576 A C 0.093 177.844 177.584 0.278 0.000 1.149 576 A CA -0.377 51.727 52.037 0.111 0.000 0.822 576 A CB 1.236 20.194 19.000 -0.069 0.000 1.131 576 A HN 0.665 nan 8.150 nan 0.000 0.493 577 S N -0.087 115.822 115.700 0.349 0.000 2.541 577 S HA 0.705 5.174 4.470 -0.002 0.000 0.280 577 S C -1.529 173.429 174.600 0.596 0.000 1.112 577 S CA -0.277 58.173 58.200 0.416 0.000 0.925 577 S CB 1.091 64.469 63.200 0.298 0.000 1.067 577 S HN 0.668 nan 8.310 nan 0.000 0.479 578 F N 1.924 122.109 119.950 0.392 0.000 2.565 578 F HA 0.545 5.071 4.527 -0.002 0.000 0.313 578 F C -1.329 174.674 175.800 0.338 0.000 1.091 578 F CA -0.827 57.422 58.000 0.415 0.000 0.915 578 F CB 1.626 40.840 39.000 0.355 0.000 1.208 578 F HN 0.364 nan 8.300 nan 0.000 0.453 579 D N 3.822 123.908 120.400 -0.523 0.000 2.472 579 D HA 0.392 5.031 4.640 -0.002 0.000 0.234 579 D C 0.312 176.285 176.300 -0.546 0.000 1.088 579 D CA 0.097 53.920 54.000 -0.295 0.000 0.882 579 D CB 1.400 42.212 40.800 0.020 0.000 1.037 579 D HN 0.757 nan 8.370 nan 0.000 0.520 580 G N 1.261 109.897 108.800 -0.273 0.000 2.695 580 G HA2 0.314 4.273 3.960 -0.002 0.000 0.213 580 G HA3 0.314 4.273 3.960 -0.002 0.000 0.213 580 G C 0.163 175.086 174.900 0.039 0.000 1.406 580 G CA -0.639 44.371 45.100 -0.150 0.000 1.049 580 G HN 0.277 nan 8.290 nan 0.000 0.573 581 R N -0.883 119.623 120.500 0.010 0.000 2.643 581 R HA 0.401 4.739 4.340 -0.002 0.000 0.270 581 R C 1.235 177.632 176.300 0.162 0.000 1.061 581 R CA 1.254 57.444 56.100 0.150 0.000 1.107 581 R CB 0.658 31.025 30.300 0.111 0.000 0.999 581 R HN 1.027 nan 8.270 nan 0.000 0.460 582 G N 0.886 109.780 108.800 0.158 0.000 2.225 582 G HA2 -0.339 3.620 3.960 -0.002 0.000 0.254 582 G HA3 -0.339 3.620 3.960 -0.002 0.000 0.254 582 G C 0.190 175.130 174.900 0.067 0.000 0.988 582 G CA 0.393 45.565 45.100 0.120 0.000 0.625 582 G HN 0.731 nan 8.290 nan 0.000 0.527 583 S N 0.094 115.847 115.700 0.087 0.000 2.624 583 S HA 0.693 5.162 4.470 -0.002 0.000 0.263 583 S C 0.823 175.431 174.600 0.014 0.000 1.287 583 S CA 0.495 58.741 58.200 0.077 0.000 0.990 583 S CB 1.758 65.030 63.200 0.121 0.000 0.950 583 S HN 1.673 nan 8.310 nan 0.000 0.561 584 G N -0.913 107.882 108.800 -0.009 0.000 2.521 584 G HA2 0.501 4.459 3.960 -0.002 0.000 0.323 584 G HA3 0.501 4.459 3.960 -0.002 0.000 0.323 584 G C -1.028 173.811 174.900 -0.102 0.000 1.211 584 G CA -1.034 43.904 45.100 -0.269 0.000 0.979 584 G HN 1.016 nan 8.290 nan 0.000 0.490 585 Y N -2.209 118.090 120.300 -0.002 0.000 3.929 585 Y HA -0.221 4.328 4.550 -0.002 0.000 0.225 585 Y C 1.212 177.116 175.900 0.007 0.000 1.200 585 Y CA 1.042 59.145 58.100 0.005 0.000 1.791 585 Y CB -2.290 36.192 38.460 0.036 0.000 1.561 585 Y HN 0.576 nan 8.280 nan 0.000 0.657 586 Q N -0.265 119.551 119.800 0.027 0.000 2.023 586 Q HA 0.493 4.832 4.340 -0.002 0.000 0.211 586 Q C 0.769 176.645 176.000 -0.205 0.000 0.787 586 Q CA 0.128 55.951 55.803 0.033 0.000 1.035 586 Q CB 1.766 30.533 28.738 0.049 0.000 1.221 586 Q HN 0.638 nan 8.270 nan 0.000 0.443 587 G N 0.817 109.362 108.800 -0.426 0.000 2.697 587 G HA2 -0.167 3.792 3.960 -0.002 0.000 0.686 587 G HA3 -0.167 3.792 3.960 -0.002 0.000 0.686 587 G C -0.486 174.042 174.900 -0.620 0.000 1.179 587 G CA -0.628 43.958 45.100 -0.856 0.000 0.765 587 G HN 0.075 nan 8.290 nan 0.000 0.649 588 D N 0.080 120.074 120.400 -0.677 0.000 2.182 588 D HA -0.079 4.559 4.640 -0.002 0.000 0.201 588 D C 2.253 178.266 176.300 -0.478 0.000 0.986 588 D CA 1.363 54.903 54.000 -0.765 0.000 0.847 588 D CB 0.065 40.407 40.800 -0.765 0.000 0.942 588 D HN 0.572 nan 8.370 nan 0.000 0.467 589 K N 0.246 120.435 120.400 -0.351 0.000 2.032 589 K HA -0.137 4.182 4.320 -0.002 0.000 0.209 589 K C 2.117 178.651 176.600 -0.109 0.000 1.048 589 K CA 0.927 57.103 56.287 -0.184 0.000 0.927 589 K CB -0.104 32.300 32.500 -0.160 0.000 0.712 589 K HN 0.156 nan 8.250 nan 0.000 0.441 590 I N 0.255 120.747 120.570 -0.131 0.000 2.277 590 I HA -0.236 3.932 4.170 -0.002 0.000 0.243 590 I C 2.638 178.756 176.117 0.003 0.000 1.094 590 I CA 0.840 62.137 61.300 -0.004 0.000 1.393 590 I CB -0.088 37.922 38.000 0.018 0.000 1.078 590 I HN 0.278 nan 8.210 nan 0.000 0.417 591 M N -0.060 119.465 119.600 -0.124 0.000 2.175 591 M HA -0.204 4.275 4.480 -0.002 0.000 0.264 591 M C 1.835 178.186 176.300 0.085 0.000 1.063 591 M CA 1.799 57.049 55.300 -0.084 0.000 1.119 591 M CB -0.147 32.292 32.600 -0.268 0.000 1.377 591 M HN 0.242 nan 8.290 nan 0.000 0.415 592 H N -0.409 118.584 119.070 -0.128 0.000 2.539 592 H HA 0.301 4.855 4.556 -0.002 0.000 0.267 592 H C 1.825 177.192 175.328 0.065 0.000 0.982 592 H CA 0.621 56.607 56.048 -0.104 0.000 1.146 592 H CB -0.389 29.215 29.762 -0.264 0.000 1.382 592 H HN 0.461 nan 8.280 nan 0.000 0.577 593 A N 0.529 123.471 122.820 0.204 0.000 1.978 593 A HA -0.130 4.189 4.320 -0.002 0.000 0.220 593 A C 2.125 179.929 177.584 0.368 0.000 1.170 593 A CA 1.189 53.369 52.037 0.239 0.000 0.636 593 A CB -0.422 18.681 19.000 0.173 0.000 0.810 593 A HN 0.294 nan 8.150 nan 0.000 0.448 594 I N -0.265 120.492 120.570 0.312 0.000 3.578 594 I HA 0.037 4.206 4.170 -0.002 0.000 0.295 594 I C 0.598 176.812 176.117 0.161 0.000 1.280 594 I CA -0.237 61.197 61.300 0.224 0.000 1.347 594 I CB -0.532 37.568 38.000 0.167 0.000 1.051 594 I HN 0.270 nan 8.210 nan 0.000 0.460 595 N N 1.754 120.611 118.700 0.261 0.000 2.294 595 N HA -0.147 4.592 4.740 -0.002 0.000 0.263 595 N C 0.747 176.305 175.510 0.080 0.000 1.281 595 N CA 0.744 53.936 53.050 0.237 0.000 0.846 595 N CB 0.092 38.698 38.487 0.198 0.000 1.061 595 N HN 0.164 nan 8.380 nan 0.000 0.478 596 R N 0.417 120.942 120.500 0.042 0.000 4.024 596 R HA -0.263 4.075 4.340 -0.002 0.000 0.391 596 R C -0.220 176.017 176.300 -0.104 0.000 1.157 596 R CA 1.547 57.642 56.100 -0.009 0.000 1.215 596 R CB -0.981 29.326 30.300 0.010 0.000 1.738 596 R HN 0.642 nan 8.270 nan 0.000 0.566 597 R N 0.576 120.976 120.500 -0.167 0.000 2.776 597 R HA 0.297 4.636 4.340 -0.002 0.000 0.391 597 R C -0.449 175.785 176.300 -0.110 0.000 1.116 597 R CA -0.340 55.485 56.100 -0.457 0.000 1.056 597 R CB 0.663 30.665 30.300 -0.498 0.000 1.369 597 R HN 0.022 nan 8.270 nan 0.000 0.590 598 L N 0.116 121.413 121.223 0.124 0.000 2.490 598 L HA 0.148 4.487 4.340 -0.002 0.000 0.274 598 L C 1.344 178.468 176.870 0.424 0.000 1.201 598 L CA 0.849 55.786 54.840 0.162 0.000 0.869 598 L CB 0.603 42.541 42.059 -0.201 0.000 1.123 598 L HN 0.673 nan 8.230 nan 0.000 0.484 599 G N 1.160 110.215 108.800 0.425 0.000 2.157 599 G HA2 -0.308 3.651 3.960 -0.002 0.000 0.248 599 G HA3 -0.308 3.651 3.960 -0.002 0.000 0.248 599 G C 0.571 175.557 174.900 0.143 0.000 0.979 599 G CA 0.589 45.894 45.100 0.341 0.000 0.650 599 G HN 0.773 nan 8.290 nan 0.000 0.529 600 T N -2.805 111.776 114.554 0.044 0.000 3.587 600 T HA 0.427 4.776 4.350 -0.002 0.000 0.221 600 T C 1.781 176.459 174.700 -0.037 0.000 0.921 600 T CA 1.180 63.196 62.100 -0.141 0.000 1.426 600 T CB -0.179 68.363 68.868 -0.544 0.000 1.340 600 T HN 0.113 nan 8.240 nan 0.000 0.423 601 F N 3.266 123.255 119.950 0.065 0.000 2.186 601 F HA 0.150 4.676 4.527 -0.002 0.000 0.299 601 F C 2.808 178.643 175.800 0.058 0.000 1.090 601 F CA 0.759 58.787 58.000 0.046 0.000 1.307 601 F CB -0.734 38.290 39.000 0.040 0.000 1.019 601 F HN 0.475 nan 8.300 nan 0.000 0.489 602 E N 0.936 121.291 120.200 0.257 0.000 2.106 602 E HA -0.130 4.219 4.350 -0.002 0.000 0.192 602 E C 2.060 178.770 176.600 0.183 0.000 0.984 602 E CA 1.639 58.169 56.400 0.215 0.000 0.806 602 E CB -0.993 28.843 29.700 0.226 0.000 0.750 602 E HN 0.289 nan 8.360 nan 0.000 0.458 603 V N 1.731 121.731 119.914 0.143 0.000 2.270 603 V HA -0.227 3.892 4.120 -0.002 0.000 0.245 603 V C 2.416 178.554 176.094 0.074 0.000 1.043 603 V CA 2.191 64.535 62.300 0.073 0.000 1.014 603 V CB -0.766 31.059 31.823 0.003 0.000 0.645 603 V HN 0.190 nan 8.190 nan 0.000 0.447 604 E N 0.352 120.610 120.200 0.096 0.000 2.070 604 E HA -0.274 4.075 4.350 -0.002 0.000 0.197 604 E C 1.950 178.577 176.600 0.045 0.000 1.004 604 E CA 1.804 58.254 56.400 0.084 0.000 0.805 604 E CB -0.232 29.555 29.700 0.146 0.000 0.744 604 E HN 0.593 nan 8.360 nan 0.000 0.451 605 D N -0.079 120.361 120.400 0.066 0.000 2.183 605 D HA -0.117 4.522 4.640 -0.002 0.000 0.203 605 D C 1.954 178.244 176.300 -0.017 0.000 0.969 605 D CA 0.594 54.603 54.000 0.014 0.000 0.842 605 D CB -0.121 40.717 40.800 0.062 0.000 0.957 605 D HN 0.047 nan 8.370 nan 0.000 0.484 606 Q N 0.214 120.071 119.800 0.096 0.000 2.096 606 Q HA -0.096 4.243 4.340 -0.002 0.000 0.204 606 Q C 2.470 178.482 176.000 0.019 0.000 0.982 606 Q CA 0.816 56.678 55.803 0.099 0.000 0.850 606 Q CB -0.341 28.483 28.738 0.144 0.000 0.901 606 Q HN 0.428 nan 8.270 nan 0.000 0.422 607 I N 0.465 121.062 120.570 0.044 0.000 2.286 607 I HA -0.193 3.976 4.170 -0.002 0.000 0.245 607 I C 2.316 178.361 176.117 -0.120 0.000 1.104 607 I CA 0.796 62.143 61.300 0.078 0.000 1.397 607 I CB -0.174 37.886 38.000 0.099 0.000 1.072 607 I HN 0.081 nan 8.210 nan 0.000 0.417 608 E N 1.173 121.261 120.200 -0.186 0.000 2.110 608 E HA -0.176 4.173 4.350 -0.002 0.000 0.193 608 E C 2.259 178.564 176.600 -0.492 0.000 0.988 608 E CA 1.416 57.653 56.400 -0.272 0.000 0.804 608 E CB -0.124 29.444 29.700 -0.220 0.000 0.745 608 E HN 0.461 nan 8.360 nan 0.000 0.458 609 A N 1.028 123.398 122.820 -0.749 0.000 1.877 609 A HA -0.093 4.226 4.320 -0.002 0.000 0.216 609 A C 2.424 179.244 177.584 -1.274 0.000 1.186 609 A CA 2.207 53.473 52.037 -1.285 0.000 0.620 609 A CB -0.724 17.206 19.000 -1.782 0.000 0.822 609 A HN 0.288 nan 8.150 nan 0.000 0.443 610 A N -0.672 121.762 122.820 -0.644 0.000 1.933 610 A HA -0.159 4.159 4.320 -0.002 0.000 0.218 610 A C 2.242 179.602 177.584 -0.373 0.000 1.175 610 A CA 1.640 53.459 52.037 -0.364 0.000 0.628 610 A CB -0.486 18.401 19.000 -0.189 0.000 0.814 610 A HN 0.531 nan 8.150 nan 0.000 0.444 611 R N -0.636 119.645 120.500 -0.365 0.000 2.083 611 R HA -0.169 4.170 4.340 -0.002 0.000 0.237 611 R C 2.459 178.596 176.300 -0.273 0.000 1.137 611 R CA 1.907 57.839 56.100 -0.280 0.000 0.951 611 R CB -0.261 29.905 30.300 -0.223 0.000 0.851 611 R HN 0.696 nan 8.270 nan 0.000 0.434 612 Q N -0.877 118.698 119.800 -0.375 0.000 2.119 612 Q HA -0.142 4.197 4.340 -0.002 0.000 0.201 612 Q C 1.902 177.788 176.000 -0.191 0.000 0.972 612 Q CA 1.160 56.781 55.803 -0.303 0.000 0.847 612 Q CB -0.017 28.509 28.738 -0.353 0.000 0.903 612 Q HN 0.278 nan 8.270 nan 0.000 0.433 613 F N 0.692 120.483 119.950 -0.265 0.000 2.134 613 F HA -0.180 4.346 4.527 -0.002 0.000 0.299 613 F C 2.776 178.416 175.800 -0.267 0.000 1.097 613 F CA 1.322 59.157 58.000 -0.275 0.000 1.264 613 F CB -1.318 37.547 39.000 -0.225 0.000 1.001 613 F HN 0.086 nan 8.300 nan 0.000 0.479 614 S N 0.141 115.807 115.700 -0.055 0.000 2.423 614 S HA -0.177 4.291 4.470 -0.002 0.000 0.231 614 S C 1.760 176.281 174.600 -0.131 0.000 1.014 614 S CA 0.983 59.115 58.200 -0.113 0.000 0.965 614 S CB -0.519 62.593 63.200 -0.145 0.000 0.785 614 S HN 0.432 nan 8.310 nan 0.000 0.495 615 K N 0.299 120.621 120.400 -0.130 0.000 2.432 615 K HA 0.222 4.541 4.320 -0.002 0.000 0.196 615 K C 0.412 176.929 176.600 -0.137 0.000 1.038 615 K CA 0.201 56.417 56.287 -0.118 0.000 0.986 615 K CB -0.176 32.264 32.500 -0.101 0.000 0.782 615 K HN 0.486 nan 8.250 nan 0.000 0.485 616 M N 0.082 119.560 119.600 -0.203 0.000 2.248 616 M HA 0.023 4.502 4.480 -0.002 0.000 0.337 616 M C 1.533 177.619 176.300 -0.357 0.000 1.121 616 M CA 0.048 55.148 55.300 -0.333 0.000 1.155 616 M CB 0.846 33.078 32.600 -0.613 0.000 1.514 616 M HN 0.154 nan 8.290 nan 0.000 0.452 617 G N 1.754 110.409 108.800 -0.243 0.000 2.509 617 G HA2 -0.122 3.836 3.960 -0.002 0.000 0.218 617 G HA3 -0.122 3.836 3.960 -0.002 0.000 0.218 617 G C 0.763 175.662 174.900 -0.001 0.000 1.124 617 G CA 0.442 45.495 45.100 -0.079 0.000 0.776 617 G HN 0.807 nan 8.290 nan 0.000 0.547 618 F N -0.685 119.316 119.950 0.085 0.000 2.695 618 F HA 0.581 5.107 4.527 -0.002 0.000 0.303 618 F C -0.091 175.832 175.800 0.205 0.000 1.091 618 F CA -1.198 56.896 58.000 0.156 0.000 1.300 618 F CB 0.015 39.164 39.000 0.249 0.000 1.071 618 F HN -0.187 nan 8.300 nan 0.000 0.578 619 V N 1.973 121.837 119.914 -0.082 0.000 2.370 619 V HA 0.172 4.291 4.120 -0.002 0.000 0.283 619 V C -0.618 175.446 176.094 -0.050 0.000 1.023 619 V CA -0.822 61.466 62.300 -0.020 0.000 0.857 619 V CB 1.270 33.017 31.823 -0.127 0.000 0.985 619 V HN 0.075 nan 8.190 nan 0.000 0.443 620 D N 4.423 124.797 120.400 -0.043 0.000 2.342 620 D HA -0.006 4.633 4.640 -0.002 0.000 0.260 620 D C 1.427 177.668 176.300 -0.099 0.000 1.278 620 D CA 0.001 53.949 54.000 -0.086 0.000 0.910 620 D CB 0.568 41.298 40.800 -0.117 0.000 1.079 620 D HN 0.671 nan 8.370 nan 0.000 0.496 621 N N 3.920 122.566 118.700 -0.089 0.000 2.520 621 N HA -0.171 4.567 4.740 -0.002 0.000 0.185 621 N C 0.725 176.188 175.510 -0.077 0.000 1.068 621 N CA 0.567 53.561 53.050 -0.093 0.000 0.911 621 N CB 0.077 38.508 38.487 -0.093 0.000 0.961 621 N HN 0.364 nan 8.380 nan 0.000 0.446 622 K N 0.016 120.377 120.400 -0.065 0.000 2.366 622 K HA 0.103 4.422 4.320 -0.002 0.000 0.198 622 K C 0.318 176.908 176.600 -0.017 0.000 1.044 622 K CA 0.412 56.677 56.287 -0.037 0.000 0.973 622 K CB 0.275 32.756 32.500 -0.032 0.000 0.767 622 K HN 0.170 nan 8.250 nan 0.000 0.475 623 R N 1.109 121.563 120.500 -0.076 0.000 2.564 623 R HA 0.352 4.690 4.340 -0.002 0.000 0.282 623 R C -1.110 175.119 176.300 -0.118 0.000 1.573 623 R CA -0.154 55.879 56.100 -0.111 0.000 1.588 623 R CB 0.688 30.734 30.300 -0.423 0.000 1.154 623 R HN -0.023 nan 8.270 nan 0.000 0.606 624 I N 1.304 121.946 120.570 0.119 0.000 2.436 624 I HA 0.571 4.739 4.170 -0.002 0.000 0.289 624 I C -0.042 176.369 176.117 0.489 0.000 1.010 624 I CA -0.703 60.721 61.300 0.206 0.000 1.098 624 I CB 2.024 39.997 38.000 -0.045 0.000 1.266 624 I HN 0.381 nan 8.210 nan 0.000 0.434 625 A N 6.560 129.773 122.820 0.655 0.000 2.346 625 A HA 0.938 5.257 4.320 -0.002 0.000 0.313 625 A C -1.147 176.804 177.584 0.611 0.000 1.140 625 A CA -0.658 51.745 52.037 0.611 0.000 0.826 625 A CB 1.820 21.064 19.000 0.407 0.000 1.332 625 A HN 0.726 nan 8.150 nan 0.000 0.457 626 I N 0.483 121.308 120.570 0.425 0.000 2.619 626 I HA 0.707 4.876 4.170 -0.002 0.000 0.292 626 I C -1.667 174.689 176.117 0.398 0.000 1.100 626 I CA -0.448 61.022 61.300 0.283 0.000 1.043 626 I CB 1.471 39.327 38.000 -0.240 0.000 1.239 626 I HN 0.889 nan 8.210 nan 0.000 0.420 627 W N 7.392 128.821 121.300 0.216 0.000 3.107 627 W HA 0.882 5.541 4.660 -0.002 0.000 0.331 627 W C -1.494 175.171 176.519 0.244 0.000 1.204 627 W CA -1.093 56.389 57.345 0.229 0.000 1.184 627 W CB 1.320 30.970 29.460 0.317 0.000 1.421 627 W HN 0.847 nan 8.180 nan 0.000 0.544 628 G N 1.338 110.062 108.800 -0.128 0.000 2.667 628 G HA2 0.450 4.409 3.960 -0.002 0.000 0.294 628 G HA3 0.450 4.409 3.960 -0.002 0.000 0.294 628 G C -2.835 171.999 174.900 -0.111 0.000 1.467 628 G CA -0.679 44.210 45.100 -0.352 0.000 0.852 628 G HN 0.583 nan 8.290 nan 0.000 0.521 629 W N 1.439 122.597 121.300 -0.237 0.000 2.736 629 W HA 0.654 5.313 4.660 -0.002 0.000 0.335 629 W C 0.702 177.273 176.519 0.087 0.000 1.059 629 W CA 0.254 57.565 57.345 -0.056 0.000 1.226 629 W CB 1.835 31.267 29.460 -0.046 0.000 1.416 629 W HN 1.144 nan 8.180 nan 0.000 0.505 630 S N 2.171 118.175 115.700 0.507 0.000 4.069 630 S HA -0.413 4.056 4.470 -0.002 0.000 0.626 630 S C 1.041 175.730 174.600 0.149 0.000 2.000 630 S CA 1.472 59.959 58.200 0.477 0.000 4.174 630 S CB -1.785 61.857 63.200 0.736 0.000 0.210 630 S HN 0.721 nan 8.310 nan 0.000 0.602 631 Y N 2.342 122.579 120.300 -0.105 0.000 2.193 631 Y HA -0.072 4.476 4.550 -0.002 0.000 0.285 631 Y C 2.323 178.079 175.900 -0.240 0.000 1.166 631 Y CA 2.637 60.544 58.100 -0.320 0.000 1.181 631 Y CB -0.996 37.048 38.460 -0.694 0.000 0.976 631 Y HN 0.534 nan 8.280 nan 0.000 0.520 632 G N -1.318 107.447 108.800 -0.059 0.000 2.443 632 G HA2 -0.190 3.769 3.960 -0.002 0.000 0.219 632 G HA3 -0.190 3.769 3.960 -0.002 0.000 0.219 632 G C 1.869 176.790 174.900 0.035 0.000 1.131 632 G CA 0.713 45.843 45.100 0.049 0.000 0.775 632 G HN 0.573 nan 8.290 nan 0.000 0.547 633 G N -0.447 108.376 108.800 0.038 0.000 2.464 633 G HA2 -0.119 3.840 3.960 -0.002 0.000 0.217 633 G HA3 -0.119 3.840 3.960 -0.002 0.000 0.217 633 G C 1.515 176.419 174.900 0.006 0.000 1.138 633 G CA 0.846 45.955 45.100 0.015 0.000 0.793 633 G HN 0.419 nan 8.290 nan 0.000 0.539 634 Y N 1.374 121.560 120.300 -0.190 0.000 2.163 634 Y HA -0.090 4.459 4.550 -0.002 0.000 0.288 634 Y C 2.679 178.476 175.900 -0.172 0.000 1.136 634 Y CA 1.544 59.480 58.100 -0.273 0.000 1.147 634 Y CB -0.291 37.845 38.460 -0.540 0.000 0.987 634 Y HN 0.019 nan 8.280 nan 0.000 0.509 635 V N -0.252 119.570 119.914 -0.154 0.000 2.295 635 V HA -0.315 3.803 4.120 -0.002 0.000 0.246 635 V C 2.308 178.304 176.094 -0.162 0.000 1.049 635 V CA 2.403 64.612 62.300 -0.150 0.000 1.024 635 V CB -1.226 30.640 31.823 0.072 0.000 0.648 635 V HN 0.480 nan 8.190 nan 0.000 0.447 636 T N 0.286 114.787 114.554 -0.088 0.000 2.635 636 T HA -0.225 4.124 4.350 -0.002 0.000 0.267 636 T C 2.110 176.746 174.700 -0.107 0.000 1.040 636 T CA 2.166 64.220 62.100 -0.077 0.000 1.156 636 T CB -0.328 68.563 68.868 0.039 0.000 0.863 636 T HN 0.562 nan 8.240 nan 0.000 0.430 637 S N 1.122 116.784 115.700 -0.063 0.000 2.368 637 S HA -0.022 4.446 4.470 -0.002 0.000 0.224 637 S C 2.141 176.647 174.600 -0.156 0.000 1.029 637 S CA 0.902 59.083 58.200 -0.032 0.000 0.988 637 S CB -0.310 62.906 63.200 0.026 0.000 0.838 637 S HN 0.286 nan 8.310 nan 0.000 0.462 638 M N 1.193 120.621 119.600 -0.287 0.000 2.108 638 M HA -0.048 4.431 4.480 -0.002 0.000 0.261 638 M C 2.227 178.369 176.300 -0.263 0.000 1.066 638 M CA 1.163 56.277 55.300 -0.311 0.000 1.107 638 M CB -1.535 30.802 32.600 -0.438 0.000 1.356 638 M HN 0.184 nan 8.290 nan 0.000 0.406 639 V N 0.232 119.989 119.914 -0.263 0.000 2.358 639 V HA -0.222 3.897 4.120 -0.002 0.000 0.246 639 V C 2.517 178.416 176.094 -0.326 0.000 1.047 639 V CA 1.259 63.401 62.300 -0.263 0.000 1.035 639 V CB -0.605 31.007 31.823 -0.352 0.000 0.658 639 V HN 0.399 nan 8.190 nan 0.000 0.452 640 L N 0.397 121.365 121.223 -0.425 0.000 2.141 640 L HA -0.022 4.317 4.340 -0.002 0.000 0.209 640 L C 2.249 178.557 176.870 -0.936 0.000 1.094 640 L CA 1.527 56.024 54.840 -0.573 0.000 0.763 640 L CB -0.719 41.008 42.059 -0.554 0.000 0.908 640 L HN 0.491 nan 8.230 nan 0.000 0.437 641 G N -1.355 106.842 108.800 -1.004 0.000 3.181 641 G HA2 -0.058 3.900 3.960 -0.002 0.000 0.219 641 G HA3 -0.058 3.900 3.960 -0.002 0.000 0.219 641 G C 1.494 176.189 174.900 -0.342 0.000 1.182 641 G CA 0.607 45.205 45.100 -0.836 0.000 0.791 641 G HN 0.433 nan 8.290 nan 0.000 0.537 642 S N -0.637 114.897 115.700 -0.276 0.000 2.478 642 S HA 0.301 4.770 4.470 -0.002 0.000 0.222 642 S C 1.919 176.460 174.600 -0.097 0.000 1.008 642 S CA 1.090 59.205 58.200 -0.142 0.000 0.928 642 S CB -0.128 63.013 63.200 -0.099 0.000 0.781 642 S HN 1.371 nan 8.310 nan 0.000 0.518 643 G N 1.373 110.105 108.800 -0.114 0.000 2.176 643 G HA2 -0.321 3.638 3.960 -0.002 0.000 0.252 643 G HA3 -0.321 3.638 3.960 -0.002 0.000 0.252 643 G C 0.901 175.784 174.900 -0.028 0.000 1.024 643 G CA 0.946 46.007 45.100 -0.066 0.000 0.755 643 G HN 1.306 nan 8.290 nan 0.000 0.507 644 S N -0.815 114.881 115.700 -0.007 0.000 2.428 644 S HA 0.312 4.780 4.470 -0.002 0.000 0.230 644 S C 2.524 177.126 174.600 0.004 0.000 1.014 644 S CA 1.650 59.857 58.200 0.012 0.000 0.957 644 S CB -0.189 63.043 63.200 0.054 0.000 0.784 644 S HN 2.406 nan 8.310 nan 0.000 0.499 645 G N 0.057 108.868 108.800 0.019 0.000 2.184 645 G HA2 -0.290 3.668 3.960 -0.002 0.000 0.264 645 G HA3 -0.290 3.668 3.960 -0.002 0.000 0.264 645 G C 0.764 175.653 174.900 -0.020 0.000 0.975 645 G CA 0.440 45.544 45.100 0.007 0.000 0.642 645 G HN 0.709 nan 8.290 nan 0.000 0.536 646 V N -0.562 119.321 119.914 -0.051 0.000 2.488 646 V HA 0.251 4.370 4.120 -0.002 0.000 0.246 646 V C 1.299 177.194 176.094 -0.332 0.000 1.046 646 V CA 1.444 63.593 62.300 -0.252 0.000 1.053 646 V CB -0.365 31.201 31.823 -0.428 0.000 0.679 646 V HN 0.300 nan 8.190 nan 0.000 0.458 647 F N 0.156 120.120 119.950 0.024 0.000 2.408 647 F HA 0.375 4.901 4.527 -0.002 0.000 0.344 647 F C 1.181 177.027 175.800 0.078 0.000 1.112 647 F CA -0.362 57.679 58.000 0.069 0.000 1.096 647 F CB 1.304 40.347 39.000 0.071 0.000 1.129 647 F HN -0.231 nan 8.300 nan 0.000 0.486 648 K N 1.768 122.338 120.400 0.282 0.000 2.076 648 K HA 0.055 4.374 4.320 -0.002 0.000 0.204 648 K C 0.011 176.752 176.600 0.235 0.000 1.051 648 K CA 1.053 57.471 56.287 0.218 0.000 0.949 648 K CB 0.231 32.859 32.500 0.214 0.000 0.726 648 K HN 0.810 nan 8.250 nan 0.000 0.443 649 c N -3.006 115.773 118.600 0.298 0.000 3.318 649 c HA 0.892 5.461 4.570 -0.002 0.000 0.322 649 c C -0.338 173.974 174.090 0.370 0.000 1.398 649 c CA -0.581 55.937 56.329 0.315 0.000 1.339 649 c CB 1.133 43.766 42.510 0.205 0.000 1.668 649 c HN 0.375 nan 8.230 nan 0.000 0.462 650 G N 0.137 109.213 108.800 0.460 0.000 2.667 650 G HA2 0.668 4.626 3.960 -0.002 0.000 0.294 650 G HA3 0.668 4.626 3.960 -0.002 0.000 0.294 650 G C -1.910 173.211 174.900 0.369 0.000 1.467 650 G CA -0.679 44.660 45.100 0.398 0.000 0.852 650 G HN 0.996 nan 8.290 nan 0.000 0.521 651 I N 0.801 121.554 120.570 0.304 0.000 2.433 651 I HA 0.657 4.826 4.170 -0.002 0.000 0.292 651 I C 0.295 176.524 176.117 0.186 0.000 1.001 651 I CA -0.968 60.400 61.300 0.113 0.000 1.119 651 I CB 2.272 40.330 38.000 0.097 0.000 1.289 651 I HN 0.642 nan 8.210 nan 0.000 0.438 652 A N 6.262 129.098 122.820 0.027 0.000 2.319 652 A HA 0.756 5.075 4.320 -0.002 0.000 0.310 652 A C -0.823 176.671 177.584 -0.150 0.000 1.152 652 A CA -0.509 51.545 52.037 0.028 0.000 0.783 652 A CB 1.142 20.230 19.000 0.146 0.000 1.184 652 A HN 0.446 nan 8.150 nan 0.000 0.474 653 V N 2.227 121.997 119.914 -0.240 0.000 2.357 653 V HA 0.567 4.685 4.120 -0.002 0.000 0.284 653 V C 0.881 176.551 176.094 -0.707 0.000 1.018 653 V CA 0.392 62.323 62.300 -0.615 0.000 0.841 653 V CB 0.598 31.764 31.823 -1.095 0.000 0.991 653 V HN 2.147 nan 8.190 nan 0.000 0.437 654 A N 5.740 128.160 122.820 -0.668 0.000 2.610 654 A HA -0.093 4.226 4.320 -0.002 0.000 0.299 654 A C -1.876 175.549 177.584 -0.265 0.000 1.487 654 A CA 0.301 51.864 52.037 -0.789 0.000 0.743 654 A CB -1.609 17.043 19.000 -0.581 0.000 1.070 654 A HN 0.603 nan 8.150 nan 0.000 0.439 655 P HA 0.447 nan 4.420 nan 0.000 0.277 655 P C 0.261 177.510 177.300 -0.085 0.000 1.240 655 P CA -0.204 62.854 63.100 -0.069 0.000 0.798 655 P CB 1.137 32.818 31.700 -0.032 0.000 0.979 656 V N 1.982 121.749 119.914 -0.244 0.000 2.775 656 V HA 0.087 4.206 4.120 -0.002 0.000 0.299 656 V C 1.730 177.650 176.094 -0.290 0.000 1.062 656 V CA 0.885 62.904 62.300 -0.469 0.000 1.063 656 V CB 0.618 31.740 31.823 -1.168 0.000 0.994 656 V HN 0.827 nan 8.190 nan 0.000 0.483 657 S N 3.271 118.820 115.700 -0.251 0.000 2.731 657 S HA 0.278 4.747 4.470 -0.002 0.000 0.244 657 S C 0.651 175.107 174.600 -0.241 0.000 1.084 657 S CA -0.337 57.791 58.200 -0.120 0.000 0.877 657 S CB 0.316 63.508 63.200 -0.013 0.000 0.798 657 S HN 0.653 nan 8.310 nan 0.000 0.496 658 R N -0.753 119.491 120.500 -0.426 0.000 2.533 658 R HA 0.396 4.735 4.340 -0.002 0.000 0.288 658 R C -1.033 174.959 176.300 -0.512 0.000 1.039 658 R CA -0.689 55.095 56.100 -0.526 0.000 0.909 658 R CB 0.737 30.534 30.300 -0.838 0.000 1.195 658 R HN 0.300 nan 8.270 nan 0.000 0.438 659 W N 1.972 123.159 121.300 -0.190 0.000 2.468 659 W HA -0.046 4.613 4.660 -0.002 0.000 0.262 659 W C 1.153 177.777 176.519 0.174 0.000 1.241 659 W CA 0.467 57.763 57.345 -0.082 0.000 1.232 659 W CB 0.416 29.697 29.460 -0.299 0.000 1.124 659 W HN 0.706 nan 8.180 nan 0.000 0.597 660 E N -1.124 119.258 120.200 0.304 0.000 2.418 660 E HA -0.182 4.167 4.350 -0.002 0.000 0.197 660 E C 1.336 178.097 176.600 0.268 0.000 1.026 660 E CA 0.832 57.378 56.400 0.243 0.000 0.862 660 E CB -0.177 29.556 29.700 0.055 0.000 0.799 660 E HN 0.346 nan 8.360 nan 0.000 0.518 661 Y N -1.424 118.984 120.300 0.179 0.000 2.448 661 Y HA 0.039 4.588 4.550 -0.002 0.000 0.289 661 Y C 0.883 176.904 175.900 0.201 0.000 1.114 661 Y CA -0.211 57.966 58.100 0.128 0.000 1.235 661 Y CB -0.482 37.996 38.460 0.029 0.000 1.045 661 Y HN 0.026 nan 8.280 nan 0.000 0.554 662 Y N 2.006 122.467 120.300 0.269 0.000 2.289 662 Y HA 0.261 4.810 4.550 -0.002 0.000 0.332 662 Y C 0.352 176.466 175.900 0.357 0.000 1.324 662 Y CA -1.793 56.467 58.100 0.265 0.000 1.478 662 Y CB 0.228 38.851 38.460 0.271 0.000 1.378 662 Y HN 0.188 nan 8.280 nan 0.000 0.558 663 D N -0.873 119.276 120.400 -0.419 0.000 2.344 663 D HA 0.149 4.788 4.640 -0.002 0.000 0.244 663 D C 0.849 177.125 176.300 -0.040 0.000 1.134 663 D CA 0.196 54.006 54.000 -0.317 0.000 0.930 663 D CB 0.972 41.330 40.800 -0.736 0.000 1.175 663 D HN 0.459 nan 8.370 nan 0.000 0.437 664 S N 0.752 116.433 115.700 -0.031 0.000 2.348 664 S HA -0.203 4.266 4.470 -0.002 0.000 0.221 664 S C 1.929 176.548 174.600 0.033 0.000 1.033 664 S CA 1.161 59.398 58.200 0.060 0.000 1.010 664 S CB -1.008 62.239 63.200 0.078 0.000 0.891 664 S HN 0.427 nan 8.310 nan 0.000 0.442 665 V N 0.686 120.563 119.914 -0.061 0.000 2.295 665 V HA -0.155 3.963 4.120 -0.002 0.000 0.246 665 V C 2.284 178.291 176.094 -0.144 0.000 1.049 665 V CA 2.075 64.249 62.300 -0.210 0.000 1.024 665 V CB -1.143 30.412 31.823 -0.447 0.000 0.648 665 V HN 0.534 nan 8.190 nan 0.000 0.447 666 Y N 1.580 121.821 120.300 -0.097 0.000 2.092 666 Y HA -0.243 4.305 4.550 -0.002 0.000 0.282 666 Y C 2.807 178.718 175.900 0.019 0.000 1.126 666 Y CA 2.420 60.555 58.100 0.059 0.000 1.111 666 Y CB -0.683 38.011 38.460 0.390 0.000 0.987 666 Y HN 0.201 nan 8.280 nan 0.000 0.489 667 T N 0.316 115.105 114.554 0.392 0.000 2.635 667 T HA -0.244 4.105 4.350 -0.002 0.000 0.267 667 T C 1.615 176.284 174.700 -0.051 0.000 1.040 667 T CA 2.059 64.290 62.100 0.219 0.000 1.156 667 T CB -0.375 68.731 68.868 0.397 0.000 0.863 667 T HN 0.436 nan 8.240 nan 0.000 0.430 668 E N 0.371 120.556 120.200 -0.025 0.000 2.150 668 E HA -0.042 4.307 4.350 -0.002 0.000 0.193 668 E C 2.512 178.971 176.600 -0.235 0.000 0.985 668 E CA 0.319 56.693 56.400 -0.043 0.000 0.814 668 E CB -0.087 29.639 29.700 0.042 0.000 0.752 668 E HN 0.268 nan 8.360 nan 0.000 0.466 669 R N -0.092 120.103 120.500 -0.509 0.000 2.119 669 R HA -0.206 4.132 4.340 -0.002 0.000 0.246 669 R C 1.329 177.038 176.300 -0.985 0.000 1.146 669 R CA 1.765 57.333 56.100 -0.888 0.000 0.962 669 R CB -0.069 29.312 30.300 -1.532 0.000 0.863 669 R HN 0.341 nan 8.270 nan 0.000 0.442 670 Y N -3.115 116.886 120.300 -0.498 0.000 2.462 670 Y HA 0.218 4.767 4.550 -0.002 0.000 0.253 670 Y C 1.677 177.404 175.900 -0.288 0.000 1.095 670 Y CA -0.109 57.697 58.100 -0.490 0.000 1.283 670 Y CB 0.431 38.480 38.460 -0.686 0.000 1.138 670 Y HN -0.112 nan 8.280 nan 0.000 0.522 671 M N -0.323 119.191 119.600 -0.143 0.000 2.292 671 M HA 0.394 4.873 4.480 -0.002 0.000 0.286 671 M C 1.083 177.442 176.300 0.098 0.000 1.002 671 M CA 0.722 55.954 55.300 -0.113 0.000 1.029 671 M CB -0.006 32.342 32.600 -0.420 0.000 1.537 671 M HN 0.346 nan 8.290 nan 0.000 0.543 672 G N 1.915 110.763 108.800 0.080 0.000 2.601 672 G HA2 -0.248 3.711 3.960 -0.002 0.000 0.252 672 G HA3 -0.248 3.711 3.960 -0.002 0.000 0.252 672 G C -0.411 174.606 174.900 0.194 0.000 1.294 672 G CA -0.667 44.506 45.100 0.121 0.000 0.912 672 G HN 0.342 nan 8.290 nan 0.000 0.574 673 L N 2.039 123.336 121.223 0.123 0.000 2.334 673 L HA 0.418 4.757 4.340 -0.002 0.000 0.277 673 L C -1.500 175.322 176.870 -0.081 0.000 1.075 673 L CA -1.697 53.165 54.840 0.036 0.000 0.804 673 L CB 1.806 43.866 42.059 0.002 0.000 1.174 673 L HN 0.431 nan 8.230 nan 0.000 0.438 674 P HA 0.096 nan 4.420 nan 0.000 0.220 674 P C -0.648 176.478 177.300 -0.290 0.000 1.806 674 P CA -0.134 62.527 63.100 -0.731 0.000 0.976 674 P CB -0.314 30.645 31.700 -1.236 0.000 1.952 675 T N -2.249 112.226 114.554 -0.132 0.000 2.916 675 T HA 0.480 4.829 4.350 -0.002 0.000 0.292 675 T C -2.287 172.400 174.700 -0.021 0.000 1.055 675 T CA -2.507 59.554 62.100 -0.065 0.000 1.009 675 T CB 1.685 70.529 68.868 -0.041 0.000 1.118 675 T HN -0.287 nan 8.240 nan 0.000 0.497 676 P HA -0.118 nan 4.420 nan 0.000 0.216 676 P C 1.107 178.415 177.300 0.014 0.000 1.153 676 P CA 1.275 64.380 63.100 0.007 0.000 0.858 676 P CB 0.036 31.738 31.700 0.004 0.000 0.789 677 E N -0.953 119.252 120.200 0.008 0.000 2.110 677 E HA -0.158 4.191 4.350 -0.002 0.000 0.193 677 E C 1.616 178.228 176.600 0.020 0.000 0.988 677 E CA 1.135 57.542 56.400 0.011 0.000 0.804 677 E CB -0.514 29.188 29.700 0.004 0.000 0.745 677 E HN 0.322 nan 8.360 nan 0.000 0.458 678 D N -0.377 120.038 120.400 0.024 0.000 2.626 678 D HA 0.077 4.715 4.640 -0.002 0.000 0.260 678 D C 0.337 176.681 176.300 0.073 0.000 1.281 678 D CA 0.217 54.243 54.000 0.043 0.000 1.098 678 D CB 0.032 40.856 40.800 0.041 0.000 0.923 678 D HN -0.025 nan 8.370 nan 0.000 0.233 679 N N 0.050 118.818 118.700 0.113 0.000 2.365 679 N HA 0.038 4.776 4.740 -0.002 0.000 0.257 679 N C 1.131 176.809 175.510 0.281 0.000 1.287 679 N CA -0.140 53.028 53.050 0.197 0.000 0.882 679 N CB 0.689 39.324 38.487 0.246 0.000 1.250 679 N HN -0.001 nan 8.380 nan 0.000 0.507 680 L N 1.000 122.305 121.223 0.137 0.000 2.079 680 L HA -0.147 4.192 4.340 -0.002 0.000 0.210 680 L C 1.529 178.498 176.870 0.165 0.000 1.081 680 L CA 1.948 56.849 54.840 0.101 0.000 0.752 680 L CB -0.375 41.687 42.059 0.004 0.000 0.896 680 L HN 0.188 nan 8.230 nan 0.000 0.433 681 D N -1.362 119.123 120.400 0.142 0.000 2.123 681 D HA -0.263 4.376 4.640 -0.002 0.000 0.196 681 D C 1.965 178.367 176.300 0.170 0.000 0.992 681 D CA 1.810 55.887 54.000 0.129 0.000 0.833 681 D CB -0.107 40.756 40.800 0.105 0.000 0.954 681 D HN 0.577 nan 8.370 nan 0.000 0.455 682 H N -0.980 118.157 119.070 0.112 0.000 2.512 682 H HA -0.003 4.552 4.556 -0.002 0.000 0.279 682 H C 1.563 176.954 175.328 0.105 0.000 0.999 682 H CA 0.760 56.855 56.048 0.077 0.000 1.283 682 H CB -0.192 29.580 29.762 0.017 0.000 1.421 682 H HN 0.105 nan 8.280 nan 0.000 0.554 683 Y N 0.520 120.785 120.300 -0.059 0.000 2.165 683 Y HA -0.156 4.392 4.550 -0.002 0.000 0.286 683 Y C 2.384 178.237 175.900 -0.078 0.000 1.155 683 Y CA 1.709 59.778 58.100 -0.053 0.000 1.164 683 Y CB 0.068 38.535 38.460 0.013 0.000 0.978 683 Y HN 0.161 nan 8.280 nan 0.000 0.513 684 R N -0.671 119.892 120.500 0.105 0.000 2.210 684 R HA -0.049 4.290 4.340 -0.002 0.000 0.203 684 R C 1.728 178.031 176.300 0.005 0.000 1.010 684 R CA 0.482 56.609 56.100 0.044 0.000 1.008 684 R CB -0.157 30.173 30.300 0.050 0.000 0.923 684 R HN 0.309 nan 8.270 nan 0.000 0.469 685 N N 0.870 119.563 118.700 -0.012 0.000 2.409 685 N HA -0.068 4.671 4.740 -0.002 0.000 0.179 685 N C 0.393 175.882 175.510 -0.034 0.000 1.032 685 N CA 0.983 54.039 53.050 0.010 0.000 0.898 685 N CB 0.330 38.892 38.487 0.126 0.000 0.971 685 N HN 0.093 nan 8.380 nan 0.000 0.441 686 S N -0.251 115.373 115.700 -0.126 0.000 2.457 686 S HA 0.171 4.640 4.470 -0.002 0.000 0.237 686 S C 0.142 174.764 174.600 0.037 0.000 1.213 686 S CA -0.825 57.344 58.200 -0.052 0.000 1.218 686 S CB -0.137 62.967 63.200 -0.160 0.000 0.922 686 S HN 0.131 nan 8.310 nan 0.000 0.488 687 T N -1.881 112.663 114.554 -0.017 0.000 2.943 687 T HA 0.559 4.908 4.350 -0.002 0.000 0.284 687 T C 1.320 175.989 174.700 -0.052 0.000 1.015 687 T CA -0.700 61.376 62.100 -0.039 0.000 1.042 687 T CB 1.337 70.161 68.868 -0.074 0.000 1.055 687 T HN 0.004 nan 8.240 nan 0.000 0.500 688 V N 1.274 121.148 119.914 -0.068 0.000 2.358 688 V HA -0.130 3.988 4.120 -0.002 0.000 0.246 688 V C 2.649 178.700 176.094 -0.071 0.000 1.047 688 V CA 1.602 63.852 62.300 -0.084 0.000 1.035 688 V CB -1.024 30.736 31.823 -0.105 0.000 0.658 688 V HN 0.806 nan 8.190 nan 0.000 0.452 689 M N 1.434 120.983 119.600 -0.085 0.000 2.106 689 M HA -0.191 4.288 4.480 -0.002 0.000 0.259 689 M C 2.301 178.572 176.300 -0.048 0.000 1.068 689 M CA 2.298 57.547 55.300 -0.084 0.000 1.100 689 M CB -1.024 31.541 32.600 -0.058 0.000 1.351 689 M HN 0.540 nan 8.290 nan 0.000 0.404 690 S N -0.694 114.989 115.700 -0.028 0.000 2.507 690 S HA -0.046 4.423 4.470 -0.002 0.000 0.235 690 S C 1.733 176.338 174.600 0.008 0.000 0.988 690 S CA 0.626 58.820 58.200 -0.010 0.000 0.944 690 S CB -0.431 62.764 63.200 -0.009 0.000 0.762 690 S HN 0.513 nan 8.310 nan 0.000 0.526 691 R N 0.332 120.850 120.500 0.030 0.000 2.427 691 R HA 0.453 4.792 4.340 -0.002 0.000 0.262 691 R C 2.118 178.528 176.300 0.182 0.000 0.943 691 R CA 0.415 56.559 56.100 0.073 0.000 1.081 691 R CB -0.187 30.146 30.300 0.055 0.000 1.166 691 R HN 0.467 nan 8.270 nan 0.000 0.534 692 A N 1.713 124.597 122.820 0.107 0.000 1.884 692 A HA -0.239 4.080 4.320 -0.002 0.000 0.219 692 A C 1.827 179.512 177.584 0.168 0.000 1.197 692 A CA 1.437 53.522 52.037 0.080 0.000 0.637 692 A CB -0.221 18.749 19.000 -0.050 0.000 0.827 692 A HN 0.211 nan 8.150 nan 0.000 0.450 693 E N 0.194 120.452 120.200 0.096 0.000 2.147 693 E HA -0.204 4.145 4.350 -0.002 0.000 0.199 693 E C 1.371 178.022 176.600 0.086 0.000 1.005 693 E CA 1.370 57.817 56.400 0.079 0.000 0.810 693 E CB -0.394 29.333 29.700 0.045 0.000 0.736 693 E HN 0.630 nan 8.360 nan 0.000 0.460 694 N N -0.142 118.598 118.700 0.067 0.000 2.494 694 N HA -0.061 4.677 4.740 -0.002 0.000 0.182 694 N C 1.278 176.738 175.510 -0.084 0.000 1.076 694 N CA 0.328 53.361 53.050 -0.029 0.000 0.908 694 N CB -0.305 38.118 38.487 -0.107 0.000 0.967 694 N HN 0.151 nan 8.380 nan 0.000 0.449 695 F N 1.259 121.166 119.950 -0.072 0.000 2.604 695 F HA 0.059 4.584 4.527 -0.002 0.000 0.298 695 F C 1.981 177.785 175.800 0.007 0.000 1.131 695 F CA 0.555 58.508 58.000 -0.078 0.000 1.457 695 F CB 0.098 39.002 39.000 -0.160 0.000 1.095 695 F HN -0.095 nan 8.300 nan 0.000 0.574 696 K N -0.079 120.420 120.400 0.166 0.000 2.281 696 K HA -0.201 4.118 4.320 -0.002 0.000 0.203 696 K C 1.629 178.286 176.600 0.097 0.000 1.046 696 K CA 1.095 57.459 56.287 0.128 0.000 0.938 696 K CB -0.144 32.411 32.500 0.092 0.000 0.737 696 K HN 0.284 nan 8.250 nan 0.000 0.458 697 Q N -0.346 119.489 119.800 0.058 0.000 2.403 697 Q HA 0.032 4.371 4.340 -0.002 0.000 0.203 697 Q C -0.347 175.690 176.000 0.061 0.000 0.932 697 Q CA -0.004 55.824 55.803 0.041 0.000 0.945 697 Q CB 0.813 29.554 28.738 0.005 0.000 1.045 697 Q HN 0.138 nan 8.270 nan 0.000 0.511 698 V N -3.948 116.021 119.914 0.092 0.000 3.159 698 V HA 0.486 4.605 4.120 -0.002 0.000 0.308 698 V C -1.120 175.113 176.094 0.232 0.000 1.190 698 V CA -1.341 61.041 62.300 0.137 0.000 1.037 698 V CB 2.271 34.144 31.823 0.082 0.000 1.060 698 V HN -0.095 nan 8.190 nan 0.000 0.437 699 E N 1.568 121.931 120.200 0.273 0.000 2.167 699 E HA 0.458 4.807 4.350 -0.002 0.000 0.284 699 E C -1.784 175.171 176.600 0.591 0.000 1.016 699 E CA -0.342 56.287 56.400 0.382 0.000 0.817 699 E CB 1.470 31.330 29.700 0.268 0.000 1.080 699 E HN 0.662 nan 8.360 nan 0.000 0.397 700 Y N 3.664 124.216 120.300 0.421 0.000 2.393 700 Y HA 0.474 5.023 4.550 -0.002 0.000 0.341 700 Y C -1.556 174.438 175.900 0.156 0.000 0.988 700 Y CA -1.566 56.729 58.100 0.325 0.000 1.078 700 Y CB 0.990 39.658 38.460 0.346 0.000 1.203 700 Y HN 0.398 nan 8.280 nan 0.000 0.453 701 L N 7.698 128.634 121.223 -0.478 0.000 2.343 701 L HA 0.589 4.928 4.340 -0.002 0.000 0.278 701 L C -2.181 174.201 176.870 -0.815 0.000 0.996 701 L CA -0.775 53.618 54.840 -0.745 0.000 0.831 701 L CB 1.292 42.615 42.059 -1.226 0.000 1.232 701 L HN 0.644 nan 8.230 nan 0.000 0.413 702 L N 6.379 127.200 121.223 -0.671 0.000 2.322 702 L HA 0.724 5.063 4.340 -0.002 0.000 0.281 702 L C -1.125 175.598 176.870 -0.246 0.000 1.014 702 L CA -0.049 54.481 54.840 -0.517 0.000 0.815 702 L CB 1.434 43.219 42.059 -0.456 0.000 1.247 702 L HN 0.608 nan 8.230 nan 0.000 0.421 703 I N 4.155 124.599 120.570 -0.210 0.000 2.619 703 I HA 0.440 4.609 4.170 -0.002 0.000 0.292 703 I C -1.277 174.796 176.117 -0.075 0.000 1.100 703 I CA -0.599 60.628 61.300 -0.123 0.000 1.043 703 I CB 2.118 40.016 38.000 -0.171 0.000 1.239 703 I HN 0.669 nan 8.210 nan 0.000 0.420 704 H N 2.288 121.383 119.070 0.041 0.000 3.038 704 H HA 0.543 5.098 4.556 -0.002 0.000 0.362 704 H C -0.292 175.243 175.328 0.344 0.000 1.167 704 H CA -0.609 55.512 56.048 0.122 0.000 1.197 704 H CB 2.080 31.843 29.762 0.002 0.000 1.840 704 H HN 0.728 nan 8.280 nan 0.000 0.540 705 G N 0.734 109.879 108.800 0.575 0.000 2.415 705 G HA2 0.216 4.174 3.960 -0.002 0.000 0.269 705 G HA3 0.216 4.174 3.960 -0.002 0.000 0.269 705 G C 1.105 176.307 174.900 0.504 0.000 1.209 705 G CA 0.153 45.559 45.100 0.509 0.000 0.835 705 G HN 0.747 nan 8.290 nan 0.000 0.534 706 T N -0.699 114.025 114.554 0.284 0.000 2.985 706 T HA 0.101 4.450 4.350 -0.002 0.000 0.266 706 T C 1.848 176.535 174.700 -0.022 0.000 1.076 706 T CA 1.228 63.334 62.100 0.010 0.000 1.135 706 T CB 0.137 68.922 68.868 -0.138 0.000 0.890 706 T HN 0.656 nan 8.240 nan 0.000 0.480 707 A N 1.260 124.130 122.820 0.084 0.000 2.532 707 A HA 0.279 4.597 4.320 -0.002 0.000 0.273 707 A C 0.525 178.065 177.584 -0.072 0.000 1.342 707 A CA -0.434 51.628 52.037 0.041 0.000 0.929 707 A CB -0.494 18.778 19.000 0.453 0.000 1.051 707 A HN 0.408 nan 8.150 nan 0.000 0.521 708 D N 1.438 121.819 120.400 -0.032 0.000 2.346 708 D HA -0.002 4.636 4.640 -0.002 0.000 0.260 708 D C 0.320 176.601 176.300 -0.031 0.000 1.252 708 D CA 0.067 54.153 54.000 0.142 0.000 0.895 708 D CB 0.674 41.720 40.800 0.409 0.000 1.097 708 D HN 0.545 nan 8.370 nan 0.000 0.489 709 D N 2.163 122.610 120.400 0.078 0.000 2.349 709 D HA -0.091 4.548 4.640 -0.002 0.000 0.215 709 D C 0.930 177.240 176.300 0.017 0.000 1.016 709 D CA 0.084 54.102 54.000 0.029 0.000 0.870 709 D CB 0.253 41.040 40.800 -0.023 0.000 0.917 709 D HN 0.450 nan 8.370 nan 0.000 0.524 710 N N 0.023 118.800 118.700 0.129 0.000 2.426 710 N HA -0.014 4.725 4.740 -0.002 0.000 0.205 710 N C -0.218 175.210 175.510 -0.137 0.000 1.040 710 N CA 0.068 53.211 53.050 0.154 0.000 0.990 710 N CB 0.772 39.377 38.487 0.198 0.000 1.215 710 N HN -0.186 nan 8.380 nan 0.000 0.491 711 V N 2.642 122.509 119.914 -0.077 0.000 2.339 711 V HA 0.181 4.299 4.120 -0.002 0.000 0.261 711 V C -0.783 175.346 176.094 0.059 0.000 1.058 711 V CA -0.256 62.027 62.300 -0.028 0.000 0.897 711 V CB -0.193 31.677 31.823 0.078 0.000 1.052 711 V HN 0.336 nan 8.190 nan 0.000 0.480 712 H N 3.140 122.186 119.070 -0.041 0.000 2.852 712 H HA 0.024 4.578 4.556 -0.002 0.000 0.362 712 H C 0.786 175.934 175.328 -0.300 0.000 1.122 712 H CA -0.106 55.830 56.048 -0.187 0.000 1.419 712 H CB 0.758 30.341 29.762 -0.299 0.000 1.401 712 H HN 0.599 nan 8.280 nan 0.000 0.609 713 F N 1.578 121.285 119.950 -0.405 0.000 2.192 713 F HA -0.308 4.218 4.527 -0.002 0.000 0.301 713 F C 2.610 178.150 175.800 -0.434 0.000 1.079 713 F CA 1.756 59.356 58.000 -0.667 0.000 1.303 713 F CB -0.181 38.594 39.000 -0.376 0.000 1.024 713 F HN 0.662 nan 8.300 nan 0.000 0.494 714 Q N 0.162 119.849 119.800 -0.188 0.000 2.182 714 Q HA -0.340 3.999 4.340 -0.002 0.000 0.213 714 Q C 2.102 177.876 176.000 -0.377 0.000 1.000 714 Q CA 2.484 58.117 55.803 -0.283 0.000 0.889 714 Q CB -0.323 28.202 28.738 -0.355 0.000 0.932 714 Q HN 0.601 nan 8.270 nan 0.000 0.415 715 Q N -0.544 119.067 119.800 -0.314 0.000 2.050 715 Q HA -0.118 4.220 4.340 -0.002 0.000 0.202 715 Q C 2.261 178.166 176.000 -0.158 0.000 0.980 715 Q CA 1.755 57.483 55.803 -0.124 0.000 0.840 715 Q CB -0.109 28.628 28.738 -0.002 0.000 0.898 715 Q HN 0.333 nan 8.270 nan 0.000 0.424 716 S N 0.937 116.450 115.700 -0.311 0.000 2.395 716 S HA -0.017 4.452 4.470 -0.002 0.000 0.225 716 S C 2.124 176.491 174.600 -0.389 0.000 1.027 716 S CA 0.733 58.744 58.200 -0.316 0.000 0.965 716 S CB -0.180 62.829 63.200 -0.317 0.000 0.812 716 S HN 0.473 nan 8.310 nan 0.000 0.482 717 A N 1.649 124.133 122.820 -0.559 0.000 1.948 717 A HA -0.188 4.131 4.320 -0.002 0.000 0.220 717 A C 2.148 179.645 177.584 -0.144 0.000 1.177 717 A CA 1.348 53.211 52.037 -0.290 0.000 0.636 717 A CB -0.511 18.404 19.000 -0.141 0.000 0.815 717 A HN 0.361 nan 8.150 nan 0.000 0.449 718 Q N -0.527 119.189 119.800 -0.141 0.000 2.123 718 Q HA -0.030 4.309 4.340 -0.002 0.000 0.199 718 Q C 2.170 178.124 176.000 -0.078 0.000 0.966 718 Q CA 1.066 56.835 55.803 -0.055 0.000 0.845 718 Q CB -0.359 28.412 28.738 0.055 0.000 0.907 718 Q HN 0.787 nan 8.270 nan 0.000 0.439 719 I N 1.107 121.601 120.570 -0.127 0.000 2.127 719 I HA -0.310 3.858 4.170 -0.002 0.000 0.241 719 I C 2.554 178.508 176.117 -0.272 0.000 1.075 719 I CA 1.609 62.786 61.300 -0.205 0.000 1.334 719 I CB -0.480 37.392 38.000 -0.212 0.000 1.040 719 I HN 0.209 nan 8.210 nan 0.000 0.405 720 S N 0.755 116.322 115.700 -0.221 0.000 2.368 720 S HA -0.282 4.186 4.470 -0.002 0.000 0.225 720 S C 2.021 176.605 174.600 -0.027 0.000 1.030 720 S CA 1.504 59.613 58.200 -0.152 0.000 0.999 720 S CB -0.445 62.844 63.200 0.148 0.000 0.844 720 S HN 0.343 nan 8.310 nan 0.000 0.459 721 K N 1.765 122.151 120.400 -0.023 0.000 2.020 721 K HA -0.053 4.266 4.320 -0.002 0.000 0.212 721 K C 2.332 178.918 176.600 -0.023 0.000 1.050 721 K CA 1.420 57.706 56.287 -0.001 0.000 0.929 721 K CB -0.783 31.714 32.500 -0.006 0.000 0.714 721 K HN 0.469 nan 8.250 nan 0.000 0.443 722 A N 0.693 123.471 122.820 -0.070 0.000 1.972 722 A HA -0.110 4.209 4.320 -0.002 0.000 0.219 722 A C 2.086 179.611 177.584 -0.099 0.000 1.169 722 A CA 1.323 53.312 52.037 -0.080 0.000 0.635 722 A CB -0.534 18.404 19.000 -0.105 0.000 0.810 722 A HN 0.334 nan 8.150 nan 0.000 0.446 723 L N -0.908 120.212 121.223 -0.171 0.000 2.156 723 L HA -0.095 4.244 4.340 -0.002 0.000 0.208 723 L C 2.428 179.323 176.870 0.042 0.000 1.095 723 L CA 0.645 55.394 54.840 -0.153 0.000 0.770 723 L CB -0.356 41.449 42.059 -0.423 0.000 0.914 723 L HN 0.234 nan 8.230 nan 0.000 0.439 724 V N -0.358 119.614 119.914 0.096 0.000 2.453 724 V HA -0.236 3.883 4.120 -0.002 0.000 0.247 724 V C 1.782 177.917 176.094 0.069 0.000 1.048 724 V CA 1.663 64.041 62.300 0.130 0.000 1.049 724 V CB -0.376 31.529 31.823 0.138 0.000 0.672 724 V HN 0.387 nan 8.190 nan 0.000 0.457 725 D N -0.697 119.726 120.400 0.039 0.000 2.312 725 D HA -0.061 4.578 4.640 -0.002 0.000 0.211 725 D C 1.699 178.015 176.300 0.026 0.000 0.964 725 D CA 0.738 54.754 54.000 0.026 0.000 0.877 725 D CB 0.342 41.150 40.800 0.014 0.000 0.924 725 D HN 0.311 nan 8.370 nan 0.000 0.515 726 V N -0.992 118.939 119.914 0.028 0.000 3.643 726 V HA 0.262 4.380 4.120 -0.002 0.000 0.280 726 V C 1.250 177.374 176.094 0.049 0.000 1.351 726 V CA 0.735 63.054 62.300 0.031 0.000 1.073 726 V CB 0.587 32.422 31.823 0.020 0.000 0.863 726 V HN 0.333 nan 8.190 nan 0.000 0.436 727 G N 0.748 109.586 108.800 0.064 0.000 2.142 727 G HA2 -0.186 3.772 3.960 -0.002 0.000 0.225 727 G HA3 -0.186 3.772 3.960 -0.002 0.000 0.225 727 G C 0.016 174.979 174.900 0.105 0.000 1.015 727 G CA 0.171 45.317 45.100 0.077 0.000 0.716 727 G HN 0.411 nan 8.290 nan 0.000 0.508 728 V N 0.559 120.554 119.914 0.135 0.000 2.432 728 V HA 0.487 4.606 4.120 -0.002 0.000 0.275 728 V C 0.415 176.683 176.094 0.291 0.000 1.043 728 V CA -0.497 61.915 62.300 0.186 0.000 0.925 728 V CB 1.722 33.644 31.823 0.165 0.000 0.985 728 V HN 0.383 nan 8.190 nan 0.000 0.466 729 D N 3.943 124.493 120.400 0.250 0.000 2.256 729 D HA 0.592 5.231 4.640 -0.002 0.000 0.250 729 D C -0.575 175.946 176.300 0.368 0.000 1.093 729 D CA 0.130 54.267 54.000 0.229 0.000 0.882 729 D CB 0.756 41.632 40.800 0.126 0.000 1.185 729 D HN 0.369 nan 8.370 nan 0.000 0.437 730 F N 0.392 120.416 119.950 0.123 0.000 2.779 730 F HA 0.554 5.080 4.527 -0.002 0.000 0.316 730 F C -1.447 174.400 175.800 0.079 0.000 1.164 730 F CA -1.163 56.928 58.000 0.153 0.000 0.924 730 F CB 0.960 40.088 39.000 0.214 0.000 1.348 730 F HN 0.125 nan 8.300 nan 0.000 0.467 731 Q N 1.243 121.109 119.800 0.109 0.000 2.312 731 Q HA 0.826 5.164 4.340 -0.002 0.000 0.263 731 Q C -1.213 174.756 176.000 -0.052 0.000 0.995 731 Q CA -0.698 55.069 55.803 -0.060 0.000 0.853 731 Q CB 2.168 30.905 28.738 -0.000 0.000 1.300 731 Q HN 1.009 nan 8.270 nan 0.000 0.448 732 A N 2.469 125.220 122.820 -0.115 0.000 2.413 732 A HA 0.908 5.227 4.320 -0.002 0.000 0.307 732 A C -1.475 176.022 177.584 -0.145 0.000 1.087 732 A CA -0.609 51.402 52.037 -0.043 0.000 0.750 732 A CB 1.548 20.579 19.000 0.052 0.000 1.296 732 A HN 0.638 nan 8.150 nan 0.000 0.423 733 M N 2.030 121.531 119.600 -0.164 0.000 2.234 733 M HA 0.533 5.012 4.480 -0.002 0.000 0.267 733 M C -1.912 174.242 176.300 -0.243 0.000 1.022 733 M CA -0.781 54.272 55.300 -0.411 0.000 0.993 733 M CB 1.129 33.373 32.600 -0.594 0.000 1.836 733 M HN 0.825 nan 8.290 nan 0.000 0.479 734 W N 4.706 125.849 121.300 -0.261 0.000 2.496 734 W HA 0.755 5.414 4.660 -0.002 0.000 0.327 734 W C -1.998 174.288 176.519 -0.388 0.000 1.086 734 W CA -0.811 56.467 57.345 -0.112 0.000 1.222 734 W CB 0.312 29.766 29.460 -0.009 0.000 1.304 734 W HN 0.601 nan 8.180 nan 0.000 0.547 735 Y N 3.061 123.482 120.300 0.201 0.000 2.388 735 Y HA 0.304 4.853 4.550 -0.002 0.000 0.328 735 Y C 0.838 176.847 175.900 0.182 0.000 0.963 735 Y CA -1.088 57.061 58.100 0.081 0.000 1.240 735 Y CB 1.438 39.915 38.460 0.028 0.000 1.118 735 Y HN 0.621 nan 8.280 nan 0.000 0.484 736 T N 0.785 115.514 114.554 0.292 0.000 2.870 736 T HA 0.187 4.536 4.350 -0.002 0.000 0.300 736 T C 0.402 175.177 174.700 0.125 0.000 0.989 736 T CA 0.071 62.295 62.100 0.207 0.000 1.139 736 T CB 0.330 69.267 68.868 0.114 0.000 0.920 736 T HN 0.783 nan 8.240 nan 0.000 0.537 737 D N 0.562 121.006 120.400 0.073 0.000 2.946 737 D HA -0.115 4.524 4.640 -0.002 0.000 0.202 737 D C -0.111 176.311 176.300 0.204 0.000 1.068 737 D CA 1.308 55.279 54.000 -0.048 0.000 1.011 737 D CB -0.709 39.884 40.800 -0.345 0.000 1.105 737 D HN 0.686 nan 8.370 nan 0.000 0.425 738 E N 1.182 121.521 120.200 0.232 0.000 2.331 738 E HA 0.299 4.648 4.350 -0.002 0.000 0.272 738 E C 0.767 177.551 176.600 0.307 0.000 1.036 738 E CA -0.151 56.409 56.400 0.265 0.000 0.864 738 E CB 0.955 30.801 29.700 0.243 0.000 1.035 738 E HN 0.396 nan 8.360 nan 0.000 0.408 739 D N 0.436 121.031 120.400 0.325 0.000 2.399 739 D HA -0.043 4.596 4.640 -0.002 0.000 0.288 739 D C 1.173 177.709 176.300 0.394 0.000 1.197 739 D CA 0.065 54.281 54.000 0.360 0.000 1.081 739 D CB -0.220 40.817 40.800 0.395 0.000 1.139 739 D HN 0.444 nan 8.370 nan 0.000 0.554 740 H N -1.547 117.713 119.070 0.316 0.000 2.423 740 H HA 0.120 4.675 4.556 -0.002 0.000 0.297 740 H C 2.006 177.597 175.328 0.438 0.000 1.075 740 H CA 2.177 58.435 56.048 0.349 0.000 1.342 740 H CB -0.455 29.496 29.762 0.315 0.000 1.395 740 H HN 0.462 nan 8.280 nan 0.000 0.530 741 G N -0.058 108.915 108.800 0.289 0.000 2.464 741 G HA2 -0.032 3.927 3.960 -0.002 0.000 0.217 741 G HA3 -0.032 3.927 3.960 -0.002 0.000 0.217 741 G C 0.583 175.650 174.900 0.278 0.000 1.138 741 G CA 0.390 45.569 45.100 0.132 0.000 0.793 741 G HN 0.526 nan 8.290 nan 0.000 0.539 742 I N -0.108 120.650 120.570 0.314 0.000 6.945 742 I HA -0.290 3.879 4.170 -0.002 0.000 0.126 742 I C 1.198 177.434 176.117 0.199 0.000 1.748 742 I CA 0.142 61.586 61.300 0.239 0.000 2.254 742 I CB -1.242 36.876 38.000 0.197 0.000 3.408 742 I HN 0.242 nan 8.210 nan 0.000 0.230 743 A N 1.744 124.651 122.820 0.145 0.000 2.564 743 A HA 0.410 4.728 4.320 -0.002 0.000 0.279 743 A C 0.944 178.561 177.584 0.056 0.000 1.232 743 A CA 0.479 52.557 52.037 0.069 0.000 0.950 743 A CB 0.220 19.228 19.000 0.013 0.000 1.138 743 A HN 0.620 nan 8.150 nan 0.000 0.526 744 S N 0.491 116.249 115.700 0.097 0.000 2.548 744 S HA 0.256 4.725 4.470 -0.002 0.000 0.277 744 S C 1.311 175.968 174.600 0.095 0.000 1.315 744 S CA 0.250 58.503 58.200 0.088 0.000 1.050 744 S CB 1.042 64.303 63.200 0.102 0.000 0.918 744 S HN 0.743 nan 8.310 nan 0.000 0.497 745 S N 3.028 118.772 115.700 0.073 0.000 2.372 745 S HA -0.259 4.209 4.470 -0.002 0.000 0.227 745 S C 2.046 176.710 174.600 0.108 0.000 1.044 745 S CA 1.875 60.127 58.200 0.086 0.000 1.050 745 S CB -2.061 61.166 63.200 0.046 0.000 0.901 745 S HN 1.066 nan 8.310 nan 0.000 0.447 746 T N 0.872 115.476 114.554 0.084 0.000 2.746 746 T HA 0.134 4.483 4.350 -0.002 0.000 0.267 746 T C 1.993 176.750 174.700 0.095 0.000 1.039 746 T CA 1.149 63.299 62.100 0.083 0.000 1.142 746 T CB -0.824 68.085 68.868 0.069 0.000 0.866 746 T HN 0.574 nan 8.240 nan 0.000 0.444 747 A N 1.303 124.165 122.820 0.070 0.000 1.897 747 A HA -0.012 4.307 4.320 -0.002 0.000 0.215 747 A C 2.187 179.744 177.584 -0.045 0.000 1.181 747 A CA 1.761 53.782 52.037 -0.027 0.000 0.620 747 A CB -1.181 17.781 19.000 -0.063 0.000 0.821 747 A HN 0.689 nan 8.150 nan 0.000 0.443 748 H N 0.134 119.194 119.070 -0.016 0.000 2.289 748 H HA -0.197 4.358 4.556 -0.002 0.000 0.296 748 H C 2.093 177.482 175.328 0.102 0.000 1.091 748 H CA 2.517 58.605 56.048 0.065 0.000 1.274 748 H CB -0.321 29.468 29.762 0.046 0.000 1.364 748 H HN 0.571 nan 8.280 nan 0.000 0.490 749 Q N -1.490 118.284 119.800 -0.043 0.000 2.124 749 Q HA -0.195 4.144 4.340 -0.002 0.000 0.202 749 Q C 2.202 178.188 176.000 -0.024 0.000 0.977 749 Q CA 1.709 57.456 55.803 -0.095 0.000 0.850 749 Q CB -0.163 28.563 28.738 -0.021 0.000 0.901 749 Q HN 0.687 nan 8.270 nan 0.000 0.429 750 H N 0.035 119.078 119.070 -0.046 0.000 2.395 750 H HA 0.004 4.558 4.556 -0.002 0.000 0.299 750 H C 1.881 177.220 175.328 0.018 0.000 1.070 750 H CA 1.165 57.227 56.048 0.023 0.000 1.356 750 H CB 0.159 29.985 29.762 0.107 0.000 1.401 750 H HN 0.217 nan 8.280 nan 0.000 0.524 751 I N -0.452 120.106 120.570 -0.020 0.000 2.286 751 I HA -0.282 3.887 4.170 -0.002 0.000 0.245 751 I C 1.236 177.170 176.117 -0.305 0.000 1.104 751 I CA 1.207 62.407 61.300 -0.167 0.000 1.397 751 I CB -0.089 37.609 38.000 -0.504 0.000 1.072 751 I HN 0.308 nan 8.210 nan 0.000 0.417 752 Y N 0.877 120.984 120.300 -0.322 0.000 2.314 752 Y HA -0.188 4.361 4.550 -0.002 0.000 0.293 752 Y C 2.683 178.401 175.900 -0.303 0.000 1.129 752 Y CA 1.759 59.556 58.100 -0.504 0.000 1.201 752 Y CB -0.707 37.438 38.460 -0.525 0.000 0.999 752 Y HN 0.144 nan 8.280 nan 0.000 0.541 753 T N -1.620 112.884 114.554 -0.083 0.000 2.708 753 T HA -0.245 4.104 4.350 -0.002 0.000 0.266 753 T C 1.566 176.200 174.700 -0.110 0.000 1.037 753 T CA 1.924 63.946 62.100 -0.129 0.000 1.146 753 T CB -0.494 68.292 68.868 -0.137 0.000 0.865 753 T HN 0.425 nan 8.240 nan 0.000 0.435 754 H N 0.586 119.571 119.070 -0.142 0.000 2.353 754 H HA 0.091 4.645 4.556 -0.002 0.000 0.300 754 H C 2.197 177.523 175.328 -0.003 0.000 1.090 754 H CA 1.558 57.577 56.048 -0.048 0.000 1.327 754 H CB -0.185 29.548 29.762 -0.048 0.000 1.383 754 H HN 0.248 nan 8.280 nan 0.000 0.508 755 M N -0.932 118.652 119.600 -0.026 0.000 2.175 755 M HA -0.148 4.331 4.480 -0.002 0.000 0.264 755 M C 2.408 178.830 176.300 0.204 0.000 1.063 755 M CA 1.355 56.629 55.300 -0.044 0.000 1.119 755 M CB 0.093 32.425 32.600 -0.447 0.000 1.377 755 M HN 0.214 nan 8.290 nan 0.000 0.415 756 S N -0.590 115.254 115.700 0.240 0.000 2.368 756 S HA -0.162 4.307 4.470 -0.002 0.000 0.225 756 S C 1.686 176.369 174.600 0.137 0.000 1.030 756 S CA 1.055 59.462 58.200 0.346 0.000 0.999 756 S CB -0.581 62.826 63.200 0.345 0.000 0.844 756 S HN 0.461 nan 8.310 nan 0.000 0.459 757 H N -0.264 118.873 119.070 0.112 0.000 2.387 757 H HA -0.007 4.548 4.556 -0.002 0.000 0.299 757 H C 1.907 177.244 175.328 0.015 0.000 1.090 757 H CA 1.079 57.144 56.048 0.028 0.000 1.332 757 H CB -0.636 29.092 29.762 -0.056 0.000 1.386 757 H HN 0.465 nan 8.280 nan 0.000 0.516 758 F N 0.947 120.894 119.950 -0.005 0.000 2.146 758 F HA -0.168 4.358 4.527 -0.002 0.000 0.298 758 F C 2.192 177.947 175.800 -0.076 0.000 1.096 758 F CA 0.834 58.803 58.000 -0.051 0.000 1.275 758 F CB -0.073 38.888 39.000 -0.066 0.000 1.008 758 F HN -0.039 nan 8.300 nan 0.000 0.480 759 I N 0.547 121.111 120.570 -0.010 0.000 2.286 759 I HA -0.223 3.946 4.170 -0.002 0.000 0.245 759 I C 2.219 178.107 176.117 -0.380 0.000 1.104 759 I CA 1.301 62.414 61.300 -0.312 0.000 1.397 759 I CB -1.261 36.640 38.000 -0.165 0.000 1.072 759 I HN 0.181 nan 8.210 nan 0.000 0.417 760 K N 0.784 121.125 120.400 -0.099 0.000 2.057 760 K HA -0.230 4.089 4.320 -0.002 0.000 0.207 760 K C 2.042 178.636 176.600 -0.010 0.000 1.049 760 K CA 1.698 57.990 56.287 0.010 0.000 0.931 760 K CB -0.170 32.386 32.500 0.094 0.000 0.714 760 K HN 0.483 nan 8.250 nan 0.000 0.440 761 Q N 0.510 120.265 119.800 -0.075 0.000 2.172 761 Q HA -0.113 4.226 4.340 -0.002 0.000 0.200 761 Q C 2.192 178.101 176.000 -0.151 0.000 0.964 761 Q CA 1.546 57.292 55.803 -0.095 0.000 0.855 761 Q CB -0.862 27.814 28.738 -0.103 0.000 0.918 761 Q HN 0.253 nan 8.270 nan 0.000 0.444 762 c N -0.263 118.146 118.600 -0.319 0.000 2.422 762 c HA 0.009 4.578 4.570 -0.002 0.000 0.279 762 c C 1.364 175.485 174.090 0.052 0.000 1.305 762 c CA 0.385 56.541 56.329 -0.289 0.000 1.757 762 c CB -1.109 41.060 42.510 -0.567 0.000 1.962 762 c HN 0.642 nan 8.230 nan 0.000 0.499 763 F N 1.688 121.605 119.950 -0.055 0.000 2.660 763 F HA 0.254 4.779 4.527 -0.002 0.000 0.302 763 F C 1.564 177.354 175.800 -0.017 0.000 1.103 763 F CA 0.175 58.164 58.000 -0.019 0.000 1.340 763 F CB -1.190 37.809 39.000 -0.002 0.000 1.048 763 F HN 0.216 nan 8.300 nan 0.000 0.551 764 S N 0.744 116.530 115.700 0.144 0.000 3.581 764 S HA -0.227 4.242 4.470 -0.002 0.000 0.354 764 S C -0.003 174.643 174.600 0.076 0.000 1.059 764 S CA 0.186 58.432 58.200 0.077 0.000 1.060 764 S CB -2.284 60.948 63.200 0.054 0.000 0.908 764 S HN 0.268 nan 8.310 nan 0.000 0.475 765 L N 1.944 123.225 121.223 0.097 0.000 2.272 765 L HA 0.489 4.828 4.340 -0.002 0.000 0.289 765 L C -1.198 175.715 176.870 0.071 0.000 1.032 765 L CA -1.877 53.015 54.840 0.087 0.000 0.810 765 L CB 0.702 42.831 42.059 0.118 0.000 1.205 765 L HN 0.054 nan 8.230 nan 0.000 0.422 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.133 63.100 0.054 0.000 0.800 766 P CB 0.000 31.724 31.700 0.039 0.000 0.726