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 3d4l_1_A DATA FIRST_RESID 39 DATA SEQUENCE TRKTYTLTDY 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 T HA 0.000 nan 4.350 nan 0.000 0.228 39 T C 0.000 174.737 174.700 0.062 0.000 1.109 39 T CA 0.000 62.129 62.100 0.049 0.000 1.349 39 T CB 0.000 68.891 68.868 0.039 0.000 0.612 40 R N 2.122 122.668 120.500 0.078 0.000 2.607 40 R HA 0.712 5.053 4.340 0.001 0.000 0.261 40 R C 0.088 176.444 176.300 0.094 0.000 1.051 40 R CA -1.025 55.124 56.100 0.082 0.000 1.110 40 R CB 0.804 31.152 30.300 0.081 0.000 1.158 40 R HN 0.312 nan 8.270 nan 0.000 0.543 41 K N 0.174 120.635 120.400 0.101 0.000 2.149 41 K HA 0.165 4.486 4.320 0.001 0.000 0.245 41 K C -0.209 176.469 176.600 0.130 0.000 1.024 41 K CA -0.545 55.811 56.287 0.116 0.000 0.899 41 K CB 0.581 33.158 32.500 0.129 0.000 1.038 41 K HN 0.772 nan 8.250 nan 0.000 0.496 42 T N -2.304 112.337 114.554 0.145 0.000 2.937 42 T HA 0.172 4.523 4.350 0.001 0.000 0.283 42 T C -0.806 174.036 174.700 0.237 0.000 1.012 42 T CA -0.800 61.401 62.100 0.168 0.000 0.997 42 T CB 0.536 69.497 68.868 0.155 0.000 1.136 42 T HN 0.538 nan 8.240 nan 0.000 0.551 43 Y N 2.379 122.762 120.300 0.137 0.000 2.452 43 Y HA 0.409 4.959 4.550 0.001 0.000 0.348 43 Y C 0.864 176.937 175.900 0.287 0.000 0.985 43 Y CA -0.433 57.789 58.100 0.204 0.000 1.214 43 Y CB -0.052 38.490 38.460 0.138 0.000 1.136 43 Y HN 1.024 nan 8.280 nan 0.000 0.523 44 T N 2.464 117.014 114.554 -0.006 0.000 2.862 44 T HA 0.145 4.495 4.350 0.001 0.000 0.276 44 T C 0.951 175.540 174.700 -0.186 0.000 0.974 44 T CA -0.719 61.421 62.100 0.066 0.000 0.966 44 T CB 1.220 70.097 68.868 0.015 0.000 1.072 44 T HN 0.688 nan 8.240 nan 0.000 0.538 45 L N 1.055 121.984 121.223 -0.489 0.000 2.083 45 L HA 0.031 4.371 4.340 0.001 0.000 0.209 45 L C 2.604 179.308 176.870 -0.277 0.000 1.083 45 L CA 2.141 56.559 54.840 -0.704 0.000 0.752 45 L CB -1.453 40.081 42.059 -0.874 0.000 0.899 45 L HN 0.959 nan 8.230 nan 0.000 0.433 46 T N -0.610 113.816 114.554 -0.213 0.000 2.788 46 T HA -0.144 4.207 4.350 0.001 0.000 0.268 46 T C 1.465 176.063 174.700 -0.171 0.000 1.044 46 T CA 1.368 63.376 62.100 -0.153 0.000 1.139 46 T CB -0.356 68.448 68.868 -0.107 0.000 0.867 46 T HN 0.390 nan 8.240 nan 0.000 0.454 47 D N 0.249 120.511 120.400 -0.230 0.000 2.123 47 D HA -0.093 4.548 4.640 0.001 0.000 0.196 47 D C 1.733 177.909 176.300 -0.207 0.000 0.992 47 D CA 1.044 54.870 54.000 -0.290 0.000 0.833 47 D CB -0.397 40.123 40.800 -0.467 0.000 0.954 47 D HN 0.433 nan 8.370 nan 0.000 0.455 48 Y N 1.498 121.596 120.300 -0.336 0.000 2.163 48 Y HA -0.096 4.454 4.550 0.001 0.000 0.288 48 Y C 2.158 178.054 175.900 -0.007 0.000 1.136 48 Y CA 1.226 59.309 58.100 -0.029 0.000 1.147 48 Y CB -0.586 37.921 38.460 0.080 0.000 0.987 48 Y HN -0.102 nan 8.280 nan 0.000 0.509 49 L N 0.055 121.083 121.223 -0.325 0.000 2.201 49 L HA -0.155 4.186 4.340 0.001 0.000 0.212 49 L C 1.640 178.391 176.870 -0.198 0.000 1.105 49 L CA 1.235 55.865 54.840 -0.350 0.000 0.775 49 L CB -0.410 41.522 42.059 -0.213 0.000 0.913 49 L HN 0.085 nan 8.230 nan 0.000 0.440 50 K N -0.269 120.040 120.400 -0.153 0.000 2.372 50 K HA 0.147 4.468 4.320 0.001 0.000 0.200 50 K C 0.081 176.624 176.600 -0.096 0.000 1.022 50 K CA -0.162 56.060 56.287 -0.109 0.000 1.125 50 K CB -0.015 32.424 32.500 -0.101 0.000 0.855 50 K HN 0.198 nan 8.250 nan 0.000 0.524 51 N N 1.407 120.056 118.700 -0.085 0.000 2.727 51 N HA -0.170 4.570 4.740 0.001 0.000 0.249 51 N C 0.362 175.846 175.510 -0.042 0.000 1.048 51 N CA 1.002 54.041 53.050 -0.018 0.000 0.714 51 N CB -1.270 37.206 38.487 -0.019 0.000 0.959 51 N HN 0.190 nan 8.380 nan 0.000 0.544 52 T N -0.974 113.499 114.554 -0.136 0.000 2.720 52 T HA -0.181 4.170 4.350 0.001 0.000 0.268 52 T C 0.531 175.006 174.700 -0.376 0.000 1.037 52 T CA 1.377 63.273 62.100 -0.340 0.000 1.144 52 T CB -0.121 68.380 68.868 -0.611 0.000 0.864 52 T HN 0.345 nan 8.240 nan 0.000 0.444 53 Y N 1.537 121.933 120.300 0.161 0.000 2.491 53 Y HA 0.579 5.130 4.550 0.001 0.000 0.334 53 Y C 0.306 176.312 175.900 0.177 0.000 0.969 53 Y CA -1.386 56.828 58.100 0.189 0.000 1.241 53 Y CB 0.476 39.106 38.460 0.284 0.000 1.105 53 Y HN -0.103 nan 8.280 nan 0.000 0.503 54 R N 2.269 122.908 120.500 0.232 0.000 2.407 54 R HA 0.579 4.920 4.340 0.001 0.000 0.303 54 R C -1.454 174.951 176.300 0.176 0.000 0.981 54 R CA -0.616 55.589 56.100 0.174 0.000 0.905 54 R CB 0.579 30.939 30.300 0.101 0.000 1.099 54 R HN 0.543 nan 8.270 nan 0.000 0.459 55 L N 3.922 125.250 121.223 0.175 0.000 2.331 55 L HA 0.355 4.695 4.340 0.001 0.000 0.278 55 L C 0.111 177.057 176.870 0.127 0.000 1.106 55 L CA 0.349 55.289 54.840 0.167 0.000 0.824 55 L CB 1.113 43.293 42.059 0.201 0.000 1.142 55 L HN 0.563 nan 8.230 nan 0.000 0.443 56 K N 2.914 123.381 120.400 0.112 0.000 2.118 56 K HA 0.635 4.955 4.320 0.001 0.000 0.267 56 K C -0.921 175.708 176.600 0.049 0.000 0.991 56 K CA -0.680 55.650 56.287 0.071 0.000 0.916 56 K CB 1.236 33.773 32.500 0.061 0.000 1.041 56 K HN 0.204 nan 8.250 nan 0.000 0.455 57 L N 1.223 122.412 121.223 -0.057 0.000 2.235 57 L HA 0.438 4.779 4.340 0.001 0.000 0.260 57 L C -1.110 175.499 176.870 -0.434 0.000 1.025 57 L CA -0.644 54.029 54.840 -0.279 0.000 0.836 57 L CB 0.671 42.692 42.059 -0.064 0.000 1.395 57 L HN 0.516 nan 8.230 nan 0.000 0.443 58 Y N -0.030 119.746 120.300 -0.875 0.000 2.520 58 Y HA 0.413 4.964 4.550 0.001 0.000 0.339 58 Y C -0.738 175.010 175.900 -0.253 0.000 1.113 58 Y CA -0.418 57.378 58.100 -0.506 0.000 1.255 58 Y CB 1.080 39.097 38.460 -0.738 0.000 1.099 58 Y HN 0.468 nan 8.280 nan 0.000 0.628 59 S N 5.737 121.357 115.700 -0.132 0.000 2.400 59 S HA 0.468 4.939 4.470 0.001 0.000 0.295 59 S C -0.496 174.051 174.600 -0.088 0.000 1.113 59 S CA -0.533 57.630 58.200 -0.062 0.000 1.064 59 S CB -0.281 62.896 63.200 -0.038 0.000 0.990 59 S HN 0.550 nan 8.310 nan 0.000 0.502 60 L N 1.526 122.654 121.223 -0.159 0.000 2.313 60 L HA 0.777 5.118 4.340 0.001 0.000 0.268 60 L C -0.154 176.604 176.870 -0.187 0.000 1.010 60 L CA -0.904 53.790 54.840 -0.244 0.000 0.814 60 L CB 0.746 42.344 42.059 -0.769 0.000 1.304 60 L HN 0.313 nan 8.230 nan 0.000 0.441 61 R N 0.622 121.052 120.500 -0.116 0.000 2.435 61 R HA 0.350 4.691 4.340 0.001 0.000 0.308 61 R C -1.718 174.596 176.300 0.022 0.000 0.975 61 R CA -0.313 55.778 56.100 -0.015 0.000 0.867 61 R CB 1.093 31.421 30.300 0.045 0.000 1.171 61 R HN 0.663 nan 8.270 nan 0.000 0.470 62 W N 4.253 125.636 121.300 0.139 0.000 2.251 62 W HA 0.119 4.780 4.660 0.001 0.000 0.327 62 W C 1.562 178.146 176.519 0.108 0.000 1.361 62 W CA -0.369 57.070 57.345 0.158 0.000 1.234 62 W CB 0.511 30.065 29.460 0.156 0.000 1.212 62 W HN 0.645 nan 8.180 nan 0.000 0.557 63 I N 0.374 121.142 120.570 0.331 0.000 4.154 63 I HA 0.345 4.516 4.170 0.001 0.000 0.334 63 I C 0.545 176.757 176.117 0.160 0.000 1.371 63 I CA -0.131 61.271 61.300 0.169 0.000 1.110 63 I CB -0.166 37.857 38.000 0.038 0.000 1.085 63 I HN 0.284 nan 8.210 nan 0.000 0.398 64 S N 0.528 116.365 115.700 0.227 0.000 2.761 64 S HA 0.155 4.626 4.470 0.001 0.000 0.290 64 S C -0.122 174.617 174.600 0.232 0.000 1.222 64 S CA 0.060 58.370 58.200 0.185 0.000 0.954 64 S CB 0.639 63.906 63.200 0.112 0.000 1.281 64 S HN 0.273 nan 8.310 nan 0.000 0.527 65 D N 0.377 120.933 120.400 0.259 0.000 2.347 65 D HA -0.035 4.606 4.640 0.001 0.000 0.213 65 D C 1.124 177.683 176.300 0.431 0.000 0.985 65 D CA 1.339 55.486 54.000 0.245 0.000 0.879 65 D CB -0.554 40.372 40.800 0.209 0.000 0.919 65 D HN 0.836 nan 8.370 nan 0.000 0.526 66 H N -1.443 117.820 119.070 0.321 0.000 3.233 66 H HA 0.435 4.991 4.556 0.001 0.000 0.263 66 H C -0.351 175.135 175.328 0.264 0.000 1.168 66 H CA -0.355 55.888 56.048 0.324 0.000 1.159 66 H CB 0.534 30.447 29.762 0.251 0.000 1.593 66 H HN 0.039 nan 8.280 nan 0.000 0.580 67 E N 0.770 120.961 120.200 -0.015 0.000 2.393 67 E HA 0.431 4.781 4.350 0.001 0.000 0.273 67 E C -1.570 175.145 176.600 0.193 0.000 0.918 67 E CA -1.233 55.146 56.400 -0.034 0.000 0.773 67 E CB 3.009 32.555 29.700 -0.257 0.000 1.275 67 E HN 0.254 nan 8.360 nan 0.000 0.451 68 Y N -1.161 119.114 120.300 -0.043 0.000 2.588 68 Y HA 0.622 5.173 4.550 0.001 0.000 0.343 68 Y C -1.669 174.195 175.900 -0.061 0.000 1.065 68 Y CA -1.322 56.670 58.100 -0.180 0.000 1.038 68 Y CB 0.854 38.880 38.460 -0.723 0.000 1.297 68 Y HN 0.327 nan 8.280 nan 0.000 0.467 69 L N 3.086 124.415 121.223 0.176 0.000 2.322 69 L HA 0.499 4.840 4.340 0.001 0.000 0.279 69 L C -1.351 175.706 176.870 0.313 0.000 1.036 69 L CA -0.962 53.965 54.840 0.144 0.000 0.807 69 L CB 1.568 43.625 42.059 -0.004 0.000 1.226 69 L HN 0.795 nan 8.230 nan 0.000 0.433 70 Y N 2.819 123.219 120.300 0.167 0.000 2.433 70 Y HA 0.314 4.864 4.550 0.001 0.000 0.337 70 Y C -0.702 175.230 175.900 0.054 0.000 1.026 70 Y CA -1.166 56.962 58.100 0.045 0.000 1.037 70 Y CB 1.662 40.108 38.460 -0.023 0.000 1.245 70 Y HN 0.442 nan 8.280 nan 0.000 0.443 71 K N 5.077 125.137 120.400 -0.565 0.000 2.248 71 K HA 0.350 4.671 4.320 0.001 0.000 0.281 71 K C -1.154 175.069 176.600 -0.630 0.000 1.054 71 K CA -0.364 55.662 56.287 -0.435 0.000 0.903 71 K CB 0.741 33.088 32.500 -0.256 0.000 1.077 71 K HN 0.853 nan 8.250 nan 0.000 0.474 72 Q N 3.545 123.169 119.800 -0.293 0.000 2.263 72 Q HA 0.108 4.449 4.340 0.001 0.000 0.266 72 Q C -1.263 174.689 176.000 -0.079 0.000 1.002 72 Q CA -0.228 55.476 55.803 -0.166 0.000 0.790 72 Q CB 1.293 30.056 28.738 0.041 0.000 1.272 72 Q HN 0.765 nan 8.270 nan 0.000 0.435 73 E N 2.865 123.023 120.200 -0.070 0.000 2.637 73 E HA -0.320 4.031 4.350 0.001 0.000 0.265 73 E C -0.352 176.211 176.600 -0.060 0.000 1.073 73 E CA 0.648 57.020 56.400 -0.047 0.000 0.778 73 E CB -0.947 28.738 29.700 -0.024 0.000 1.362 73 E HN 0.889 nan 8.360 nan 0.000 0.413 74 N N -1.709 116.941 118.700 -0.083 0.000 2.936 74 N HA -0.173 4.568 4.740 0.001 0.000 0.236 74 N C -0.688 174.763 175.510 -0.098 0.000 0.930 74 N CA 1.349 54.348 53.050 -0.084 0.000 0.966 74 N CB -0.957 37.495 38.487 -0.058 0.000 1.090 74 N HN 0.403 nan 8.380 nan 0.000 0.592 75 N N 0.941 119.585 118.700 -0.092 0.000 2.473 75 N HA 0.384 5.125 4.740 0.001 0.000 0.291 75 N C 0.153 175.608 175.510 -0.091 0.000 1.083 75 N CA -0.223 52.777 53.050 -0.083 0.000 0.951 75 N CB 1.299 39.753 38.487 -0.055 0.000 1.164 75 N HN 0.153 nan 8.380 nan 0.000 0.480 76 I N 2.965 123.487 120.570 -0.079 0.000 2.304 76 I HA 0.262 4.433 4.170 0.001 0.000 0.291 76 I C 0.052 176.206 176.117 0.062 0.000 1.018 76 I CA -0.392 60.876 61.300 -0.054 0.000 1.260 76 I CB 0.675 38.607 38.000 -0.113 0.000 1.390 76 I HN 0.208 nan 8.210 nan 0.000 0.475 77 L N 6.709 127.982 121.223 0.083 0.000 2.334 77 L HA 0.619 4.960 4.340 0.001 0.000 0.270 77 L C -0.338 176.568 176.870 0.060 0.000 1.018 77 L CA -0.992 53.880 54.840 0.053 0.000 0.811 77 L CB 2.208 44.267 42.059 -0.001 0.000 1.271 77 L HN 0.304 nan 8.230 nan 0.000 0.443 78 V N 1.965 121.840 119.914 -0.064 0.000 2.417 78 V HA 0.514 4.635 4.120 0.001 0.000 0.291 78 V C -0.991 174.920 176.094 -0.304 0.000 1.024 78 V CA -0.231 62.015 62.300 -0.089 0.000 0.861 78 V CB 1.389 33.216 31.823 0.007 0.000 0.985 78 V HN 0.462 nan 8.190 nan 0.000 0.436 79 F N 5.326 124.996 119.950 -0.467 0.000 2.480 79 F HA 0.498 5.026 4.527 0.001 0.000 0.329 79 F C 0.516 176.013 175.800 -0.505 0.000 1.091 79 F CA -0.506 57.137 58.000 -0.595 0.000 0.972 79 F CB 1.657 39.944 39.000 -1.187 0.000 1.150 79 F HN 0.516 nan 8.300 nan 0.000 0.467 80 N N 1.854 120.491 118.700 -0.105 0.000 2.419 80 N HA 0.263 5.004 4.740 0.001 0.000 0.264 80 N C 0.379 175.849 175.510 -0.067 0.000 1.031 80 N CA 0.095 53.130 53.050 -0.025 0.000 0.951 80 N CB 1.841 40.390 38.487 0.102 0.000 1.101 80 N HN 0.818 nan 8.380 nan 0.000 0.488 81 A N 3.712 126.444 122.820 -0.147 0.000 1.898 81 A HA -0.155 4.166 4.320 0.001 0.000 0.216 81 A C 1.873 179.207 177.584 -0.416 0.000 1.181 81 A CA 1.345 53.200 52.037 -0.302 0.000 0.620 81 A CB -0.449 18.152 19.000 -0.665 0.000 0.819 81 A HN 0.790 nan 8.150 nan 0.000 0.442 82 E N -0.692 119.239 120.200 -0.448 0.000 2.051 82 E HA -0.176 4.175 4.350 0.001 0.000 0.192 82 E C 1.386 177.724 176.600 -0.437 0.000 0.991 82 E CA 1.906 58.047 56.400 -0.431 0.000 0.799 82 E CB -0.389 28.947 29.700 -0.607 0.000 0.748 82 E HN 0.772 nan 8.360 nan 0.000 0.449 83 Y N -2.387 117.917 120.300 0.007 0.000 2.462 83 Y HA 0.331 4.882 4.550 0.001 0.000 0.253 83 Y C 1.627 177.534 175.900 0.012 0.000 1.095 83 Y CA 0.039 58.146 58.100 0.011 0.000 1.283 83 Y CB 0.969 39.437 38.460 0.014 0.000 1.138 83 Y HN 0.192 nan 8.280 nan 0.000 0.522 84 G N 1.093 109.977 108.800 0.140 0.000 2.176 84 G HA2 -0.313 3.647 3.960 0.001 0.000 0.253 84 G HA3 -0.313 3.647 3.960 0.001 0.000 0.253 84 G C -0.052 174.951 174.900 0.172 0.000 0.979 84 G CA 0.177 45.372 45.100 0.159 0.000 0.641 84 G HN 0.451 nan 8.290 nan 0.000 0.530 85 N N 0.650 119.415 118.700 0.107 0.000 2.503 85 N HA 0.546 5.287 4.740 0.001 0.000 0.267 85 N C 0.112 175.522 175.510 -0.167 0.000 1.214 85 N CA 0.679 53.725 53.050 -0.006 0.000 0.959 85 N CB 1.537 40.024 38.487 0.000 0.000 1.142 85 N HN 0.932 nan 8.380 nan 0.000 0.455 86 S N -0.420 115.087 115.700 -0.321 0.000 2.661 86 S HA 0.754 5.224 4.470 0.001 0.000 0.285 86 S C -0.867 173.532 174.600 -0.335 0.000 1.138 86 S CA -0.805 57.048 58.200 -0.578 0.000 0.855 86 S CB 1.624 64.036 63.200 -1.312 0.000 1.136 86 S HN 0.623 nan 8.310 nan 0.000 0.484 87 S N -0.128 115.393 115.700 -0.298 0.000 2.588 87 S HA 0.628 5.099 4.470 0.001 0.000 0.275 87 S C -0.995 173.532 174.600 -0.122 0.000 1.130 87 S CA -0.711 57.394 58.200 -0.159 0.000 0.855 87 S CB 1.636 64.781 63.200 -0.092 0.000 1.116 87 S HN 0.751 nan 8.310 nan 0.000 0.472 88 V N 2.654 122.519 119.914 -0.081 0.000 2.555 88 V HA 0.240 4.361 4.120 0.001 0.000 0.286 88 V C 0.275 176.369 176.094 -0.001 0.000 1.044 88 V CA 0.251 62.524 62.300 -0.045 0.000 1.026 88 V CB 0.557 32.341 31.823 -0.065 0.000 0.981 88 V HN 0.952 nan 8.190 nan 0.000 0.480 89 F N 4.923 124.817 119.950 -0.093 0.000 2.437 89 F HA 0.478 5.006 4.527 0.001 0.000 0.288 89 F C 0.244 176.000 175.800 -0.073 0.000 1.085 89 F CA 0.390 58.346 58.000 -0.073 0.000 1.430 89 F CB 0.701 39.669 39.000 -0.053 0.000 1.120 89 F HN 0.371 nan 8.300 nan 0.000 0.556 90 L N 1.384 122.639 121.223 0.052 0.000 2.562 90 L HA 0.322 4.663 4.340 0.001 0.000 0.266 90 L C -1.070 175.748 176.870 -0.087 0.000 0.949 90 L CA -0.634 54.175 54.840 -0.052 0.000 0.879 90 L CB 1.353 43.440 42.059 0.048 0.000 1.278 90 L HN -0.142 nan 8.230 nan 0.000 0.404 91 E N 3.244 123.358 120.200 -0.143 0.000 2.414 91 E HA 0.031 4.382 4.350 0.001 0.000 0.263 91 E C 0.721 177.234 176.600 -0.145 0.000 1.000 91 E CA 0.070 56.385 56.400 -0.141 0.000 0.914 91 E CB 0.703 30.305 29.700 -0.163 0.000 0.948 91 E HN 0.643 nan 8.360 nan 0.000 0.444 92 N N 1.305 119.944 118.700 -0.102 0.000 2.381 92 N HA -0.167 4.573 4.740 0.001 0.000 0.182 92 N C 1.153 176.618 175.510 -0.076 0.000 1.025 92 N CA 1.247 54.251 53.050 -0.077 0.000 0.888 92 N CB -0.102 38.348 38.487 -0.062 0.000 0.965 92 N HN 0.298 nan 8.380 nan 0.000 0.438 93 S N -0.977 114.656 115.700 -0.111 0.000 2.528 93 S HA 0.037 4.508 4.470 0.001 0.000 0.219 93 S C 1.572 176.051 174.600 -0.202 0.000 0.985 93 S CA 0.303 58.435 58.200 -0.112 0.000 0.914 93 S CB -0.624 62.519 63.200 -0.095 0.000 0.776 93 S HN 0.193 nan 8.310 nan 0.000 0.526 94 T N 1.777 116.120 114.554 -0.352 0.000 2.802 94 T HA -0.077 4.274 4.350 0.001 0.000 0.269 94 T C 0.127 174.288 174.700 -0.898 0.000 1.062 94 T CA 1.397 63.085 62.100 -0.686 0.000 1.133 94 T CB -0.508 67.736 68.868 -1.039 0.000 0.852 94 T HN 0.588 nan 8.240 nan 0.000 0.485 95 F N 0.667 120.507 119.950 -0.183 0.000 2.908 95 F HA 0.354 4.882 4.527 0.001 0.000 0.328 95 F C 1.077 176.865 175.800 -0.021 0.000 1.211 95 F CA -1.254 56.671 58.000 -0.125 0.000 1.291 95 F CB 0.129 38.972 39.000 -0.262 0.000 0.962 95 F HN -0.071 nan 8.300 nan 0.000 0.505 96 D N 0.675 121.104 120.400 0.048 0.000 2.149 96 D HA -0.160 4.481 4.640 0.001 0.000 0.198 96 D C 1.429 177.766 176.300 0.063 0.000 0.990 96 D CA 1.474 55.499 54.000 0.042 0.000 0.839 96 D CB 0.173 40.968 40.800 -0.008 0.000 0.948 96 D HN 0.332 nan 8.370 nan 0.000 0.460 97 E N -0.911 119.335 120.200 0.076 0.000 2.451 97 E HA 0.081 4.432 4.350 0.001 0.000 0.194 97 E C 0.952 177.599 176.600 0.079 0.000 1.027 97 E CA -0.374 56.055 56.400 0.049 0.000 0.914 97 E CB -0.161 29.552 29.700 0.023 0.000 1.054 97 E HN 0.101 nan 8.360 nan 0.000 0.461 98 F N 0.501 120.454 119.950 0.004 0.000 2.161 98 F HA -0.123 4.405 4.527 0.001 0.000 0.300 98 F C 1.904 177.596 175.800 -0.180 0.000 1.089 98 F CA 2.084 60.071 58.000 -0.021 0.000 1.282 98 F CB -0.095 38.910 39.000 0.008 0.000 1.010 98 F HN 0.193 nan 8.300 nan 0.000 0.485 99 G N -1.691 106.960 108.800 -0.248 0.000 2.383 99 G HA2 -0.258 3.703 3.960 0.001 0.000 0.229 99 G HA3 -0.258 3.703 3.960 0.001 0.000 0.229 99 G C 0.429 174.998 174.900 -0.552 0.000 1.089 99 G CA 0.296 45.103 45.100 -0.489 0.000 0.640 99 G HN 0.540 nan 8.290 nan 0.000 0.510 100 H N 0.431 119.309 119.070 -0.319 0.000 2.567 100 H HA 0.677 5.234 4.556 0.001 0.000 0.345 100 H C -0.270 175.111 175.328 0.089 0.000 1.169 100 H CA 0.169 56.114 56.048 -0.171 0.000 1.227 100 H CB 1.598 31.041 29.762 -0.530 0.000 1.607 100 H HN 0.178 nan 8.280 nan 0.000 0.534 101 S N 1.674 117.501 115.700 0.212 0.000 2.465 101 S HA 0.268 4.739 4.470 0.001 0.000 0.279 101 S C 0.263 174.959 174.600 0.160 0.000 1.201 101 S CA -0.765 57.524 58.200 0.149 0.000 1.053 101 S CB -0.581 62.679 63.200 0.100 0.000 0.953 101 S HN 0.340 nan 8.310 nan 0.000 0.488 102 I N 5.323 125.942 120.570 0.082 0.000 2.471 102 I HA 0.141 4.312 4.170 0.001 0.000 0.286 102 I C 1.426 177.553 176.117 0.018 0.000 1.079 102 I CA -0.322 60.992 61.300 0.023 0.000 1.398 102 I CB 0.655 38.568 38.000 -0.146 0.000 1.403 102 I HN 0.664 nan 8.210 nan 0.000 0.530 103 N N 3.600 122.313 118.700 0.021 0.000 2.220 103 N HA -0.057 4.684 4.740 0.001 0.000 0.182 103 N C 0.035 175.514 175.510 -0.051 0.000 1.023 103 N CA 1.179 54.197 53.050 -0.053 0.000 0.856 103 N CB 0.400 38.827 38.487 -0.100 0.000 0.997 103 N HN 0.710 nan 8.380 nan 0.000 0.429 104 D N -2.749 117.651 120.400 0.001 0.000 2.665 104 D HA 0.203 4.844 4.640 0.001 0.000 0.287 104 D C -1.683 174.691 176.300 0.123 0.000 1.266 104 D CA -0.519 53.503 54.000 0.037 0.000 0.830 104 D CB 0.905 41.689 40.800 -0.026 0.000 1.356 104 D HN 0.083 nan 8.370 nan 0.000 0.437 105 Y N -1.268 119.050 120.300 0.030 0.000 2.581 105 Y HA 0.745 5.296 4.550 0.001 0.000 0.345 105 Y C -1.217 174.762 175.900 0.131 0.000 1.036 105 Y CA -0.992 57.146 58.100 0.063 0.000 1.042 105 Y CB 1.765 40.240 38.460 0.026 0.000 1.289 105 Y HN 0.138 nan 8.280 nan 0.000 0.471 106 S N 2.974 118.816 115.700 0.237 0.000 2.736 106 S HA 0.621 5.091 4.470 0.001 0.000 0.285 106 S C -1.423 173.482 174.600 0.508 0.000 1.163 106 S CA -0.551 57.797 58.200 0.246 0.000 1.025 106 S CB 0.209 63.565 63.200 0.261 0.000 1.030 106 S HN 0.692 nan 8.310 nan 0.000 0.486 107 I N 4.435 125.209 120.570 0.340 0.000 2.395 107 I HA 0.281 4.452 4.170 0.001 0.000 0.289 107 I C 0.971 176.961 176.117 -0.212 0.000 1.023 107 I CA -0.403 61.012 61.300 0.191 0.000 1.350 107 I CB 1.702 39.797 38.000 0.157 0.000 1.409 107 I HN 0.765 nan 8.210 nan 0.000 0.507 108 S N 5.687 120.961 115.700 -0.709 0.000 2.573 108 S HA 0.126 4.597 4.470 0.001 0.000 0.277 108 S C -1.836 172.478 174.600 -0.477 0.000 1.346 108 S CA -0.889 56.516 58.200 -1.326 0.000 1.034 108 S CB 0.534 62.868 63.200 -1.443 0.000 0.879 108 S HN 0.427 nan 8.310 nan 0.000 0.528 109 P HA -0.136 nan 4.420 nan 0.000 0.216 109 P C 0.693 177.950 177.300 -0.071 0.000 1.150 109 P CA 1.574 64.602 63.100 -0.120 0.000 0.843 109 P CB -0.170 31.483 31.700 -0.079 0.000 0.787 110 D N -2.106 118.249 120.400 -0.074 0.000 2.336 110 D HA 0.092 4.733 4.640 0.001 0.000 0.229 110 D C 1.385 177.684 176.300 -0.001 0.000 1.061 110 D CA 0.488 54.484 54.000 -0.007 0.000 0.875 110 D CB -1.222 39.607 40.800 0.047 0.000 0.904 110 D HN 0.184 nan 8.370 nan 0.000 0.525 111 G N 0.378 109.168 108.800 -0.017 0.000 2.175 111 G HA2 -0.433 3.528 3.960 0.001 0.000 0.265 111 G HA3 -0.433 3.528 3.960 0.001 0.000 0.265 111 G C 0.977 175.884 174.900 0.012 0.000 0.979 111 G CA 0.709 45.867 45.100 0.096 0.000 0.663 111 G HN 0.478 nan 8.290 nan 0.000 0.533 112 Q N -1.608 118.085 119.800 -0.179 0.000 2.269 112 Q HA 0.318 4.658 4.340 0.001 0.000 0.201 112 Q C 0.352 175.816 176.000 -0.895 0.000 0.946 112 Q CA 0.723 56.194 55.803 -0.553 0.000 0.877 112 Q CB 0.285 28.583 28.738 -0.733 0.000 0.963 112 Q HN 0.602 nan 8.270 nan 0.000 0.472 113 F N -0.732 119.170 119.950 -0.080 0.000 2.613 113 F HA 0.525 5.053 4.527 0.001 0.000 0.314 113 F C -0.609 175.299 175.800 0.181 0.000 1.075 113 F CA -1.235 56.796 58.000 0.052 0.000 0.945 113 F CB 1.702 40.758 39.000 0.093 0.000 1.310 113 F HN -0.224 nan 8.300 nan 0.000 0.467 114 I N 2.735 123.653 120.570 0.580 0.000 2.478 114 I HA 0.459 4.630 4.170 0.001 0.000 0.287 114 I C -1.822 174.630 176.117 0.559 0.000 1.042 114 I CA -1.035 60.596 61.300 0.552 0.000 1.067 114 I CB 1.457 39.738 38.000 0.467 0.000 1.233 114 I HN 0.549 nan 8.210 nan 0.000 0.431 115 L N 8.422 130.000 121.223 0.593 0.000 2.290 115 L HA 0.466 4.806 4.340 0.001 0.000 0.284 115 L C -1.251 175.784 176.870 0.275 0.000 1.078 115 L CA 0.148 55.212 54.840 0.374 0.000 0.815 115 L CB 0.867 43.051 42.059 0.208 0.000 1.162 115 L HN 0.511 nan 8.230 nan 0.000 0.435 116 L N 5.297 126.628 121.223 0.181 0.000 2.272 116 L HA 0.484 4.825 4.340 0.001 0.000 0.289 116 L C -0.047 176.906 176.870 0.139 0.000 1.032 116 L CA -0.387 54.472 54.840 0.032 0.000 0.810 116 L CB 1.472 43.338 42.059 -0.322 0.000 1.205 116 L HN 0.630 nan 8.230 nan 0.000 0.422 117 E N 3.911 124.152 120.200 0.068 0.000 2.156 117 E HA 0.453 4.803 4.350 0.001 0.000 0.279 117 E C -1.597 175.002 176.600 -0.002 0.000 0.965 117 E CA -0.488 55.821 56.400 -0.152 0.000 0.789 117 E CB 1.127 30.797 29.700 -0.050 0.000 1.098 117 E HN 0.443 nan 8.360 nan 0.000 0.397 118 Y N 1.518 121.661 120.300 -0.263 0.000 2.728 118 Y HA 0.430 4.981 4.550 0.001 0.000 0.330 118 Y C -0.194 175.625 175.900 -0.134 0.000 1.234 118 Y CA -1.530 56.501 58.100 -0.115 0.000 1.070 118 Y CB 0.463 38.922 38.460 -0.001 0.000 1.300 118 Y HN 0.497 nan 8.280 nan 0.000 0.467 119 N N -0.349 118.400 118.700 0.081 0.000 2.735 119 N HA -0.298 4.443 4.740 0.001 0.000 0.248 119 N C -0.950 174.541 175.510 -0.032 0.000 1.083 119 N CA 0.991 54.033 53.050 -0.013 0.000 0.703 119 N CB -1.581 36.807 38.487 -0.165 0.000 1.005 119 N HN 0.860 nan 8.380 nan 0.000 0.550 120 Y N 0.108 120.350 120.300 -0.097 0.000 2.717 120 Y HA 0.237 4.788 4.550 0.001 0.000 0.330 120 Y C 0.106 175.975 175.900 -0.052 0.000 1.217 120 Y CA 0.169 58.208 58.100 -0.103 0.000 1.506 120 Y CB 0.681 39.039 38.460 -0.170 0.000 1.268 120 Y HN -0.009 nan 8.280 nan 0.000 0.561 121 V N 8.010 127.530 119.914 -0.657 0.000 2.462 121 V HA 0.188 4.309 4.120 0.001 0.000 0.288 121 V C -0.361 175.342 176.094 -0.652 0.000 1.020 121 V CA -1.400 60.605 62.300 -0.492 0.000 0.857 121 V CB 1.310 32.995 31.823 -0.230 0.000 1.013 121 V HN 0.762 nan 8.190 nan 0.000 0.431 122 K N 3.640 123.665 120.400 -0.625 0.000 2.382 122 K HA 0.249 4.570 4.320 0.001 0.000 0.275 122 K C 0.415 176.851 176.600 -0.273 0.000 1.009 122 K CA 0.204 56.280 56.287 -0.351 0.000 0.970 122 K CB 1.250 33.734 32.500 -0.028 0.000 0.934 122 K HN 0.811 nan 8.250 nan 0.000 0.479 123 Q N 2.879 122.497 119.800 -0.302 0.000 2.729 123 Q HA 0.173 4.514 4.340 0.001 0.000 0.228 123 Q C -0.030 175.678 176.000 -0.486 0.000 1.021 123 Q CA -0.396 55.023 55.803 -0.640 0.000 0.561 123 Q CB 0.113 28.317 28.738 -0.890 0.000 3.921 123 Q HN 0.727 nan 8.270 nan 0.000 0.430 124 W N 0.208 121.498 121.300 -0.016 0.000 1.836 124 W HA 0.377 5.038 4.660 0.001 0.000 0.628 124 W C 1.859 178.352 176.519 -0.043 0.000 1.626 124 W CA -0.693 56.664 57.345 0.020 0.000 1.714 124 W CB -0.168 29.259 29.460 -0.055 0.000 3.166 124 W HN 0.279 nan 8.180 nan 0.000 0.772 125 R N -0.599 119.966 120.500 0.108 0.000 2.096 125 R HA -0.145 4.196 4.340 0.001 0.000 0.235 125 R C 1.703 177.825 176.300 -0.295 0.000 1.127 125 R CA 1.726 57.718 56.100 -0.180 0.000 0.968 125 R CB -0.342 29.682 30.300 -0.461 0.000 0.861 125 R HN 0.494 nan 8.270 nan 0.000 0.440 126 H N -1.375 117.760 119.070 0.109 0.000 2.800 126 H HA 0.155 4.712 4.556 0.001 0.000 0.257 126 H C 0.662 176.071 175.328 0.136 0.000 0.967 126 H CA 0.475 56.606 56.048 0.139 0.000 1.192 126 H CB 0.198 30.015 29.762 0.092 0.000 1.441 126 H HN 0.134 nan 8.280 nan 0.000 0.461 127 S N 1.313 117.001 115.700 -0.020 0.000 2.585 127 S HA 0.369 4.840 4.470 0.001 0.000 0.273 127 S C -0.266 174.227 174.600 -0.177 0.000 1.339 127 S CA -0.422 57.484 58.200 -0.490 0.000 1.028 127 S CB 0.686 63.071 63.200 -1.358 0.000 0.906 127 S HN 0.459 nan 8.310 nan 0.000 0.528 128 Y N -2.400 117.761 120.300 -0.233 0.000 2.732 128 Y HA 0.629 5.180 4.550 0.001 0.000 0.342 128 Y C -0.857 175.029 175.900 -0.023 0.000 1.203 128 Y CA -0.840 57.130 58.100 -0.216 0.000 1.092 128 Y CB 0.461 38.763 38.460 -0.264 0.000 1.345 128 Y HN 0.921 nan 8.280 nan 0.000 0.458 129 T N -0.036 114.579 114.554 0.101 0.000 2.924 129 T HA 1.025 5.376 4.350 0.001 0.000 0.291 129 T C -0.541 174.243 174.700 0.140 0.000 1.045 129 T CA -0.149 62.023 62.100 0.121 0.000 1.015 129 T CB 1.807 70.701 68.868 0.043 0.000 1.103 129 T HN 1.948 nan 8.240 nan 0.000 0.496 130 A N 0.899 123.775 122.820 0.094 0.000 2.564 130 A HA 0.782 5.103 4.320 0.001 0.000 0.291 130 A C -0.616 176.746 177.584 -0.370 0.000 1.102 130 A CA -0.980 50.967 52.037 -0.151 0.000 0.660 130 A CB 1.051 19.946 19.000 -0.174 0.000 1.283 130 A HN 0.878 nan 8.150 nan 0.000 0.430 131 S N -0.699 114.548 115.700 -0.756 0.000 2.608 131 S HA 0.817 5.287 4.470 0.001 0.000 0.291 131 S C -1.440 172.445 174.600 -1.192 0.000 1.146 131 S CA -0.075 57.588 58.200 -0.895 0.000 1.043 131 S CB 0.684 63.124 63.200 -1.267 0.000 1.037 131 S HN 0.456 nan 8.310 nan 0.000 0.520 132 Y N -0.018 120.017 120.300 -0.441 0.000 2.553 132 Y HA 0.523 5.074 4.550 0.001 0.000 0.347 132 Y C -0.226 175.697 175.900 0.038 0.000 1.019 132 Y CA -0.892 57.106 58.100 -0.169 0.000 1.032 132 Y CB 1.844 40.172 38.460 -0.220 0.000 1.284 132 Y HN 0.507 nan 8.280 nan 0.000 0.466 133 D N 1.807 122.408 120.400 0.335 0.000 2.756 133 D HA 0.531 5.172 4.640 0.001 0.000 0.226 133 D C -1.180 175.264 176.300 0.239 0.000 1.186 133 D CA -0.335 53.845 54.000 0.301 0.000 0.845 133 D CB 2.829 43.911 40.800 0.471 0.000 1.610 133 D HN 0.404 nan 8.370 nan 0.000 0.465 134 I N 1.893 122.596 120.570 0.221 0.000 2.404 134 I HA 0.268 4.439 4.170 0.001 0.000 0.293 134 I C -0.940 175.403 176.117 0.378 0.000 0.992 134 I CA -0.936 60.530 61.300 0.277 0.000 1.149 134 I CB 1.565 39.667 38.000 0.170 0.000 1.315 134 I HN 0.242 nan 8.210 nan 0.000 0.446 135 Y N 5.605 126.101 120.300 0.327 0.000 2.352 135 Y HA 0.306 4.857 4.550 0.001 0.000 0.339 135 Y C -0.210 175.910 175.900 0.367 0.000 0.992 135 Y CA -0.652 57.652 58.100 0.341 0.000 1.100 135 Y CB 1.193 39.905 38.460 0.419 0.000 1.192 135 Y HN 0.495 nan 8.280 nan 0.000 0.458 136 D N 6.064 126.338 120.400 -0.209 0.000 2.317 136 D HA 0.093 4.734 4.640 0.001 0.000 0.252 136 D C 0.598 176.592 176.300 -0.510 0.000 1.174 136 D CA 0.291 54.169 54.000 -0.203 0.000 0.866 136 D CB 1.173 41.902 40.800 -0.120 0.000 1.127 136 D HN 0.885 nan 8.370 nan 0.000 0.467 137 L N 3.722 124.746 121.223 -0.333 0.000 2.179 137 L HA -0.082 4.259 4.340 0.001 0.000 0.208 137 L C 2.101 178.816 176.870 -0.259 0.000 1.096 137 L CA 0.343 55.061 54.840 -0.203 0.000 0.779 137 L CB -0.211 41.748 42.059 -0.166 0.000 0.922 137 L HN 0.387 nan 8.230 nan 0.000 0.443 138 N N 1.256 119.765 118.700 -0.318 0.000 2.135 138 N HA -0.169 4.572 4.740 0.001 0.000 0.186 138 N C 1.577 176.971 175.510 -0.192 0.000 1.027 138 N CA 1.369 54.275 53.050 -0.240 0.000 0.849 138 N CB -0.157 38.184 38.487 -0.243 0.000 1.002 138 N HN 0.470 nan 8.380 nan 0.000 0.425 139 K N 0.825 121.101 120.400 -0.208 0.000 2.417 139 K HA 0.180 4.501 4.320 0.001 0.000 0.196 139 K C -0.235 176.250 176.600 -0.191 0.000 1.023 139 K CA -0.198 55.993 56.287 -0.160 0.000 1.122 139 K CB 0.444 32.871 32.500 -0.122 0.000 0.850 139 K HN -0.221 nan 8.250 nan 0.000 0.521 140 R N 1.210 121.548 120.500 -0.270 0.000 3.322 140 R HA -0.210 4.131 4.340 0.001 0.000 0.253 140 R C -0.814 175.293 176.300 -0.322 0.000 0.987 140 R CA 1.068 57.018 56.100 -0.250 0.000 0.666 140 R CB -2.513 27.762 30.300 -0.043 0.000 1.072 140 R HN 0.818 nan 8.270 nan 0.000 0.447 141 Q N 0.035 119.463 119.800 -0.621 0.000 2.389 141 Q HA 0.515 4.856 4.340 0.001 0.000 0.277 141 Q C -1.221 174.608 176.000 -0.286 0.000 1.082 141 Q CA -1.026 54.602 55.803 -0.290 0.000 0.810 141 Q CB 1.753 30.421 28.738 -0.117 0.000 1.374 141 Q HN 0.157 nan 8.270 nan 0.000 0.422 142 L N 3.797 125.108 121.223 0.148 0.000 2.349 142 L HA 0.418 4.759 4.340 0.001 0.000 0.275 142 L C -0.744 176.228 176.870 0.171 0.000 1.115 142 L CA 0.084 55.120 54.840 0.327 0.000 0.820 142 L CB 0.799 43.124 42.059 0.443 0.000 1.135 142 L HN 0.641 nan 8.230 nan 0.000 0.445 143 I N 4.383 125.053 120.570 0.167 0.000 2.416 143 I HA 0.132 4.303 4.170 0.001 0.000 0.288 143 I C 0.943 177.113 176.117 0.089 0.000 1.051 143 I CA 0.149 61.510 61.300 0.100 0.000 1.375 143 I CB 1.041 39.087 38.000 0.077 0.000 1.407 143 I HN 0.820 nan 8.210 nan 0.000 0.516 144 T N 0.549 115.136 114.554 0.055 0.000 2.985 144 T HA 0.237 4.587 4.350 0.001 0.000 0.254 144 T C 0.545 175.248 174.700 0.005 0.000 1.021 144 T CA -0.289 61.833 62.100 0.038 0.000 0.957 144 T CB 0.112 69.002 68.868 0.037 0.000 1.047 144 T HN 0.472 nan 8.240 nan 0.000 0.511 145 E N 2.163 122.361 120.200 -0.004 0.000 2.266 145 E HA 0.234 4.585 4.350 0.001 0.000 0.277 145 E C -0.361 176.211 176.600 -0.047 0.000 1.018 145 E CA -0.601 55.785 56.400 -0.024 0.000 0.840 145 E CB 0.579 30.267 29.700 -0.019 0.000 1.082 145 E HN 0.183 nan 8.360 nan 0.000 0.395 146 E N 1.235 121.394 120.200 -0.067 0.000 2.199 146 E HA -0.248 4.103 4.350 0.001 0.000 0.208 146 E C -0.433 176.090 176.600 -0.128 0.000 1.310 146 E CA 0.781 57.122 56.400 -0.099 0.000 0.709 146 E CB -1.646 28.003 29.700 -0.087 0.000 1.127 146 E HN 0.537 nan 8.360 nan 0.000 0.354 147 R N -0.434 119.986 120.500 -0.135 0.000 2.615 147 R HA 0.515 4.855 4.340 0.001 0.000 0.270 147 R C 0.951 177.070 176.300 -0.301 0.000 1.081 147 R CA -0.734 55.267 56.100 -0.164 0.000 1.154 147 R CB 0.652 30.895 30.300 -0.093 0.000 1.063 147 R HN 0.022 nan 8.270 nan 0.000 0.519 148 I N 2.376 122.717 120.570 -0.382 0.000 2.775 148 I HA -0.003 4.168 4.170 0.001 0.000 0.290 148 I C -1.717 174.068 176.117 -0.554 0.000 1.203 148 I CA -1.485 59.406 61.300 -0.680 0.000 1.433 148 I CB 0.156 37.748 38.000 -0.679 0.000 1.354 148 I HN 0.406 nan 8.210 nan 0.000 0.579 149 P HA 0.059 nan 4.420 nan 0.000 0.271 149 P C -0.612 176.465 177.300 -0.373 0.000 1.233 149 P CA -0.280 62.408 63.100 -0.686 0.000 0.789 149 P CB 0.420 31.257 31.700 -1.439 0.000 0.951 150 N N 1.883 120.463 118.700 -0.199 0.000 2.445 150 N HA 0.063 4.804 4.740 0.001 0.000 0.264 150 N C 0.310 175.891 175.510 0.118 0.000 1.227 150 N CA 0.042 53.045 53.050 -0.078 0.000 0.963 150 N CB -0.052 38.399 38.487 -0.060 0.000 1.188 150 N HN 0.421 nan 8.380 nan 0.000 0.491 151 N N -0.649 118.096 118.700 0.075 0.000 2.741 151 N HA -0.153 4.588 4.740 0.001 0.000 0.250 151 N C -0.776 174.896 175.510 0.270 0.000 1.115 151 N CA 0.742 53.876 53.050 0.141 0.000 0.724 151 N CB -1.619 36.956 38.487 0.146 0.000 1.090 151 N HN 0.473 nan 8.380 nan 0.000 0.558 152 T N 0.849 115.561 114.554 0.264 0.000 2.870 152 T HA 0.104 4.454 4.350 0.001 0.000 0.300 152 T C 1.708 176.562 174.700 0.258 0.000 0.989 152 T CA 0.106 62.391 62.100 0.309 0.000 1.139 152 T CB 1.136 70.099 68.868 0.158 0.000 0.920 152 T HN 0.171 nan 8.240 nan 0.000 0.537 153 Q N 1.882 121.822 119.800 0.235 0.000 2.302 153 Q HA 0.151 4.492 4.340 0.001 0.000 0.202 153 Q C 0.166 176.306 176.000 0.234 0.000 0.936 153 Q CA 0.439 56.380 55.803 0.231 0.000 0.886 153 Q CB 0.742 29.564 28.738 0.140 0.000 0.986 153 Q HN 0.704 nan 8.270 nan 0.000 0.487 154 W N -0.431 120.817 121.300 -0.086 0.000 3.419 154 W HA 0.485 5.145 4.660 0.001 0.000 0.298 154 W C -2.341 174.084 176.519 -0.157 0.000 1.260 154 W CA -0.746 56.503 57.345 -0.160 0.000 1.199 154 W CB 1.223 30.526 29.460 -0.261 0.000 1.349 154 W HN -0.286 nan 8.180 nan 0.000 0.557 155 V N 4.359 123.515 119.914 -1.262 0.000 2.932 155 V HA 0.810 4.930 4.120 0.001 0.000 0.307 155 V C -1.624 173.808 176.094 -1.103 0.000 1.147 155 V CA -0.049 61.670 62.300 -0.968 0.000 0.951 155 V CB 2.256 33.468 31.823 -1.019 0.000 1.031 155 V HN 0.638 nan 8.190 nan 0.000 0.426 156 T N 5.329 119.555 114.554 -0.547 0.000 3.097 156 T HA 0.503 4.854 4.350 0.001 0.000 0.332 156 T C -1.354 173.360 174.700 0.023 0.000 1.269 156 T CA -0.304 61.658 62.100 -0.229 0.000 1.076 156 T CB 0.880 69.826 68.868 0.129 0.000 1.209 156 T HN 0.731 nan 8.240 nan 0.000 0.474 157 W N 3.092 124.424 121.300 0.053 0.000 2.126 157 W HA 0.454 5.115 4.660 0.001 0.000 0.346 157 W C 1.283 177.692 176.519 -0.183 0.000 1.279 157 W CA -0.546 56.793 57.345 -0.010 0.000 1.259 157 W CB 0.640 30.092 29.460 -0.014 0.000 1.133 157 W HN 0.802 nan 8.180 nan 0.000 0.592 158 S N 1.827 117.318 115.700 -0.348 0.000 2.600 158 S HA 0.139 4.610 4.470 0.001 0.000 0.265 158 S C -1.453 172.878 174.600 -0.448 0.000 1.325 158 S CA -1.001 56.414 58.200 -1.308 0.000 1.002 158 S CB 0.876 63.199 63.200 -1.462 0.000 0.921 158 S HN 0.404 nan 8.310 nan 0.000 0.554 159 P HA 0.073 nan 4.420 nan 0.000 0.223 159 P C -0.004 177.246 177.300 -0.084 0.000 1.151 159 P CA 0.629 63.681 63.100 -0.081 0.000 0.787 159 P CB 0.031 31.733 31.700 0.003 0.000 0.788 160 V N -1.369 118.448 119.914 -0.161 0.000 2.962 160 V HA 0.633 4.754 4.120 0.001 0.000 0.313 160 V C 0.839 176.826 176.094 -0.180 0.000 1.099 160 V CA 0.146 62.371 62.300 -0.124 0.000 0.971 160 V CB 1.072 32.835 31.823 -0.100 0.000 1.028 160 V HN 0.449 nan 8.190 nan 0.000 0.430 161 G N 2.572 111.285 108.800 -0.144 0.000 2.509 161 G HA2 -0.210 3.751 3.960 0.001 0.000 0.259 161 G HA3 -0.210 3.751 3.960 0.001 0.000 0.259 161 G C 0.133 174.936 174.900 -0.161 0.000 1.169 161 G CA 0.610 45.584 45.100 -0.210 0.000 0.953 161 G HN 1.855 nan 8.290 nan 0.000 0.563 162 H N -0.561 118.501 119.070 -0.014 0.000 3.204 162 H HA 0.404 4.961 4.556 0.001 0.000 0.240 162 H C 0.246 175.746 175.328 0.286 0.000 1.259 162 H CA -0.112 55.983 56.048 0.077 0.000 0.991 162 H CB -0.286 29.541 29.762 0.109 0.000 2.583 162 H HN 0.530 nan 8.280 nan 0.000 0.638 163 K N 1.531 121.991 120.400 0.098 0.000 2.168 163 K HA 0.540 4.861 4.320 0.001 0.000 0.258 163 K C -0.396 176.346 176.600 0.236 0.000 1.010 163 K CA -0.427 55.927 56.287 0.113 0.000 0.929 163 K CB 1.629 34.058 32.500 -0.118 0.000 0.998 163 K HN 0.100 nan 8.250 nan 0.000 0.479 164 L N 0.715 122.082 121.223 0.239 0.000 2.388 164 L HA 0.604 4.945 4.340 0.001 0.000 0.264 164 L C -1.096 175.964 176.870 0.317 0.000 0.998 164 L CA -0.853 54.074 54.840 0.145 0.000 0.817 164 L CB 2.211 44.185 42.059 -0.142 0.000 1.338 164 L HN 0.711 nan 8.230 nan 0.000 0.414 165 A N 2.282 125.265 122.820 0.271 0.000 2.374 165 A HA 0.810 5.131 4.320 0.001 0.000 0.305 165 A C -1.639 175.943 177.584 -0.003 0.000 1.053 165 A CA -0.381 51.702 52.037 0.077 0.000 0.726 165 A CB 1.137 20.088 19.000 -0.080 0.000 1.229 165 A HN 0.640 nan 8.150 nan 0.000 0.431 166 Y N -0.407 119.837 120.300 -0.093 0.000 2.588 166 Y HA 0.793 5.343 4.550 0.001 0.000 0.343 166 Y C -1.146 174.762 175.900 0.014 0.000 1.065 166 Y CA -1.596 56.428 58.100 -0.127 0.000 1.038 166 Y CB 1.221 39.538 38.460 -0.237 0.000 1.297 166 Y HN 0.381 nan 8.280 nan 0.000 0.467 167 V N 2.197 122.228 119.914 0.195 0.000 2.495 167 V HA 0.381 4.502 4.120 0.001 0.000 0.298 167 V C -1.452 174.857 176.094 0.359 0.000 1.031 167 V CA -0.610 61.788 62.300 0.164 0.000 0.871 167 V CB 1.388 33.227 31.823 0.026 0.000 0.988 167 V HN 0.881 nan 8.190 nan 0.000 0.432 168 W N 4.967 126.366 121.300 0.165 0.000 3.042 168 W HA 0.461 5.121 4.660 0.001 0.000 0.337 168 W C 0.237 176.814 176.519 0.096 0.000 1.086 168 W CA -0.764 56.656 57.345 0.125 0.000 1.236 168 W CB 1.229 30.746 29.460 0.094 0.000 1.381 168 W HN 0.784 nan 8.180 nan 0.000 0.472 169 N N 5.461 123.841 118.700 -0.533 0.000 2.735 169 N HA -0.347 4.394 4.740 0.001 0.000 0.248 169 N C 0.112 175.468 175.510 -0.257 0.000 1.083 169 N CA 1.016 53.735 53.050 -0.551 0.000 0.703 169 N CB -1.120 36.821 38.487 -0.911 0.000 1.005 169 N HN 0.822 nan 8.380 nan 0.000 0.550 170 N N -1.898 116.714 118.700 -0.147 0.000 2.800 170 N HA -0.167 4.574 4.740 0.001 0.000 0.250 170 N C -1.314 174.129 175.510 -0.111 0.000 1.078 170 N CA 1.064 54.046 53.050 -0.113 0.000 0.804 170 N CB -0.359 38.024 38.487 -0.174 0.000 1.135 170 N HN 0.435 nan 8.380 nan 0.000 0.565 171 D N 0.463 120.805 120.400 -0.096 0.000 2.433 171 D HA 0.497 5.138 4.640 0.001 0.000 0.236 171 D C 0.106 176.240 176.300 -0.277 0.000 1.026 171 D CA -0.385 53.478 54.000 -0.228 0.000 0.884 171 D CB 1.669 42.280 40.800 -0.316 0.000 1.384 171 D HN 0.018 nan 8.370 nan 0.000 0.477 172 I N 1.760 122.018 120.570 -0.521 0.000 2.396 172 I HA 0.229 4.400 4.170 0.001 0.000 0.292 172 I C -0.678 174.979 176.117 -0.767 0.000 0.999 172 I CA -0.393 60.577 61.300 -0.550 0.000 1.310 172 I CB 0.537 38.127 38.000 -0.683 0.000 1.404 172 I HN 0.157 nan 8.210 nan 0.000 0.496 173 Y N 4.185 124.105 120.300 -0.633 0.000 2.512 173 Y HA 0.638 5.188 4.550 0.001 0.000 0.348 173 Y C -0.340 175.210 175.900 -0.584 0.000 0.990 173 Y CA -0.928 56.755 58.100 -0.693 0.000 1.033 173 Y CB 2.060 39.843 38.460 -1.129 0.000 1.259 173 Y HN 0.109 nan 8.280 nan 0.000 0.461 174 V N 2.701 122.548 119.914 -0.112 0.000 2.588 174 V HA 0.466 4.587 4.120 0.001 0.000 0.304 174 V C -0.895 175.328 176.094 0.216 0.000 1.042 174 V CA -1.374 60.959 62.300 0.055 0.000 0.877 174 V CB 2.057 33.934 31.823 0.089 0.000 0.996 174 V HN 0.617 nan 8.190 nan 0.000 0.425 175 K N 4.188 124.722 120.400 0.223 0.000 2.394 175 K HA 0.504 4.825 4.320 0.001 0.000 0.260 175 K C 0.382 177.118 176.600 0.228 0.000 0.967 175 K CA -0.712 55.701 56.287 0.211 0.000 0.855 175 K CB 1.709 34.291 32.500 0.137 0.000 1.101 175 K HN 0.441 nan 8.250 nan 0.000 0.433 176 I N 1.329 122.056 120.570 0.261 0.000 2.439 176 I HA -0.064 4.107 4.170 0.001 0.000 0.251 176 I C 0.326 176.562 176.117 0.199 0.000 1.139 176 I CA 1.398 62.826 61.300 0.212 0.000 1.438 176 I CB -0.330 37.804 38.000 0.223 0.000 1.085 176 I HN 0.556 nan 8.210 nan 0.000 0.427 177 E N -0.370 119.927 120.200 0.161 0.000 2.293 177 E HA 0.293 4.644 4.350 0.001 0.000 0.270 177 E C -1.934 174.657 176.600 -0.015 0.000 0.879 177 E CA -2.045 54.421 56.400 0.109 0.000 0.756 177 E CB 1.767 31.519 29.700 0.086 0.000 1.208 177 E HN -0.179 nan 8.360 nan 0.000 0.428 178 P HA -0.179 nan 4.420 nan 0.000 0.217 178 P C 0.733 177.950 177.300 -0.138 0.000 1.148 178 P CA 1.595 64.551 63.100 -0.240 0.000 0.828 178 P CB 0.252 31.590 31.700 -0.604 0.000 0.783 179 N N -2.031 116.606 118.700 -0.105 0.000 2.280 179 N HA 0.037 4.778 4.740 0.001 0.000 0.192 179 N C 0.247 175.735 175.510 -0.038 0.000 1.109 179 N CA 0.057 53.075 53.050 -0.052 0.000 0.855 179 N CB -0.366 38.108 38.487 -0.022 0.000 0.974 179 N HN 0.040 nan 8.380 nan 0.000 0.482 180 L N 0.973 122.178 121.223 -0.031 0.000 2.379 180 L HA 0.510 4.850 4.340 0.001 0.000 0.269 180 L C -1.982 174.848 176.870 -0.067 0.000 1.084 180 L CA -2.513 52.307 54.840 -0.032 0.000 0.802 180 L CB 0.973 43.034 42.059 0.002 0.000 1.175 180 L HN 0.013 nan 8.230 nan 0.000 0.448 181 P HA 0.013 nan 4.420 nan 0.000 0.267 181 P C -0.712 176.451 177.300 -0.229 0.000 1.200 181 P CA -0.258 62.750 63.100 -0.154 0.000 0.772 181 P CB 0.735 32.336 31.700 -0.164 0.000 0.855 182 S N 1.911 117.523 115.700 -0.146 0.000 2.610 182 S HA 0.389 4.860 4.470 0.001 0.000 0.273 182 S C -0.603 173.894 174.600 -0.170 0.000 1.274 182 S CA -0.491 57.659 58.200 -0.083 0.000 1.023 182 S CB 0.123 63.376 63.200 0.088 0.000 0.962 182 S HN 0.310 nan 8.310 nan 0.000 0.523 183 Y N 0.388 120.710 120.300 0.036 0.000 2.326 183 Y HA 0.418 4.969 4.550 0.001 0.000 0.337 183 Y C 1.107 176.933 175.900 -0.122 0.000 1.023 183 Y CA -0.832 57.267 58.100 -0.001 0.000 1.143 183 Y CB 0.865 39.323 38.460 -0.003 0.000 1.183 183 Y HN 0.497 nan 8.280 nan 0.000 0.485 184 R N 3.801 124.248 120.500 -0.088 0.000 2.370 184 R HA 0.134 4.475 4.340 0.001 0.000 0.309 184 R C 0.327 176.360 176.300 -0.445 0.000 1.059 184 R CA 0.165 55.892 56.100 -0.621 0.000 0.981 184 R CB 0.532 30.253 30.300 -0.965 0.000 0.972 184 R HN 0.789 nan 8.270 nan 0.000 0.437 185 I N 1.473 121.693 120.570 -0.583 0.000 2.731 185 I HA -0.049 4.122 4.170 0.001 0.000 0.260 185 I C 1.262 177.169 176.117 -0.351 0.000 1.138 185 I CA 1.093 62.172 61.300 -0.368 0.000 1.461 185 I CB -0.439 37.304 38.000 -0.428 0.000 1.128 185 I HN 0.510 nan 8.210 nan 0.000 0.438 186 T N -3.930 110.288 114.554 -0.561 0.000 2.907 186 T HA 0.414 4.765 4.350 0.001 0.000 0.292 186 T C -0.667 173.763 174.700 -0.450 0.000 1.043 186 T CA -0.514 61.372 62.100 -0.356 0.000 1.003 186 T CB 1.990 70.632 68.868 -0.378 0.000 1.084 186 T HN 0.160 nan 8.240 nan 0.000 0.483 187 W N 0.146 121.336 121.300 -0.184 0.000 2.518 187 W HA 0.236 4.897 4.660 0.001 0.000 0.352 187 W C 1.828 178.292 176.519 -0.091 0.000 0.952 187 W CA -0.117 57.154 57.345 -0.124 0.000 1.624 187 W CB 0.192 29.600 29.460 -0.087 0.000 1.135 187 W HN 0.911 nan 8.180 nan 0.000 0.540 188 T N -2.583 112.020 114.554 0.081 0.000 3.107 188 T HA 0.265 4.615 4.350 0.001 0.000 0.249 188 T C 1.287 175.987 174.700 -0.000 0.000 1.096 188 T CA 0.217 62.346 62.100 0.047 0.000 1.012 188 T CB -0.175 68.718 68.868 0.041 0.000 0.977 188 T HN 0.020 nan 8.240 nan 0.000 0.527 189 G N 1.399 110.170 108.800 -0.048 0.000 2.265 189 G HA2 0.312 4.273 3.960 0.001 0.000 0.240 189 G HA3 0.312 4.273 3.960 0.001 0.000 0.240 189 G C -0.555 174.288 174.900 -0.095 0.000 1.270 189 G CA -0.333 44.715 45.100 -0.087 0.000 0.901 189 G HN 0.548 nan 8.290 nan 0.000 0.507 190 K N 2.065 122.387 120.400 -0.130 0.000 2.619 190 K HA 0.164 4.485 4.320 0.001 0.000 0.251 190 K C -0.090 176.389 176.600 -0.201 0.000 0.987 190 K CA -0.665 55.545 56.287 -0.128 0.000 0.844 190 K CB 1.416 33.876 32.500 -0.067 0.000 1.237 190 K HN 0.661 nan 8.250 nan 0.000 0.447 191 E N 3.529 123.616 120.200 -0.189 0.000 2.765 191 E HA -0.183 4.167 4.350 0.001 0.000 0.256 191 E C -0.585 175.915 176.600 -0.167 0.000 0.935 191 E CA 1.096 57.379 56.400 -0.194 0.000 0.954 191 E CB 0.228 29.854 29.700 -0.123 0.000 0.908 191 E HN 0.658 nan 8.360 nan 0.000 0.500 192 D N 2.613 122.884 120.400 -0.214 0.000 3.077 192 D HA -0.232 4.409 4.640 0.001 0.000 0.217 192 D C 0.461 176.785 176.300 0.039 0.000 1.162 192 D CA 1.326 55.321 54.000 -0.009 0.000 0.943 192 D CB -0.481 40.367 40.800 0.079 0.000 1.122 192 D HN 0.435 nan 8.370 nan 0.000 0.413 193 I N -1.228 119.274 120.570 -0.112 0.000 3.685 193 I HA 0.095 4.265 4.170 0.001 0.000 0.258 193 I C 0.661 176.843 176.117 0.108 0.000 1.135 193 I CA 0.343 61.676 61.300 0.055 0.000 1.436 193 I CB 0.187 38.201 38.000 0.025 0.000 1.670 193 I HN -0.144 nan 8.210 nan 0.000 0.424 194 I N 2.036 122.584 120.570 -0.037 0.000 2.362 194 I HA 0.262 4.433 4.170 0.001 0.000 0.289 194 I C -1.247 174.863 176.117 -0.012 0.000 0.994 194 I CA -0.516 60.830 61.300 0.077 0.000 1.158 194 I CB 0.830 38.860 38.000 0.050 0.000 1.315 194 I HN 0.050 nan 8.210 nan 0.000 0.451 195 Y N 4.791 125.186 120.300 0.158 0.000 2.356 195 Y HA 0.384 4.934 4.550 0.001 0.000 0.334 195 Y C 0.422 176.392 175.900 0.117 0.000 0.958 195 Y CA -0.790 57.406 58.100 0.159 0.000 1.196 195 Y CB 0.914 39.544 38.460 0.283 0.000 1.137 195 Y HN 0.406 nan 8.280 nan 0.000 0.485 196 N N 2.389 121.163 118.700 0.125 0.000 2.437 196 N HA 0.328 5.069 4.740 0.001 0.000 0.259 196 N C 0.882 176.344 175.510 -0.079 0.000 0.983 196 N CA 0.482 53.539 53.050 0.011 0.000 0.937 196 N CB 1.786 40.183 38.487 -0.149 0.000 1.122 196 N HN 0.994 nan 8.380 nan 0.000 0.499 197 G N 1.678 110.456 108.800 -0.036 0.000 2.179 197 G HA2 -0.256 3.704 3.960 0.001 0.000 0.260 197 G HA3 -0.256 3.704 3.960 0.001 0.000 0.260 197 G C 0.122 174.887 174.900 -0.226 0.000 0.977 197 G CA 0.719 45.724 45.100 -0.158 0.000 0.641 197 G HN 0.662 nan 8.290 nan 0.000 0.533 198 I N -1.908 118.596 120.570 -0.109 0.000 2.865 198 I HA 0.810 4.981 4.170 0.001 0.000 0.302 198 I C 0.271 176.426 176.117 0.063 0.000 1.140 198 I CA -0.666 60.480 61.300 -0.258 0.000 1.021 198 I CB 2.024 39.690 38.000 -0.556 0.000 1.233 198 I HN 0.173 nan 8.210 nan 0.000 0.427 199 T N -0.394 114.143 114.554 -0.028 0.000 2.899 199 T HA 0.390 4.740 4.350 0.001 0.000 0.284 199 T C -0.205 174.332 174.700 -0.271 0.000 1.004 199 T CA -0.639 61.316 62.100 -0.241 0.000 1.043 199 T CB 1.331 70.123 68.868 -0.127 0.000 1.013 199 T HN 0.775 nan 8.240 nan 0.000 0.518 200 D N 0.114 120.095 120.400 -0.698 0.000 2.478 200 D HA 0.041 4.681 4.640 0.001 0.000 0.269 200 D C 0.945 177.170 176.300 -0.124 0.000 1.232 200 D CA -1.117 52.466 54.000 -0.696 0.000 1.059 200 D CB 0.210 40.499 40.800 -0.851 0.000 1.104 200 D HN 0.711 nan 8.370 nan 0.000 0.566 201 W N 0.318 121.562 121.300 -0.093 0.000 2.317 201 W HA -0.238 4.423 4.660 0.001 0.000 0.318 201 W C 2.184 178.602 176.519 -0.168 0.000 1.227 201 W CA 2.456 59.737 57.345 -0.106 0.000 1.269 201 W CB -0.463 28.867 29.460 -0.217 0.000 1.155 201 W HN 0.199 nan 8.180 nan 0.000 0.484 202 V N -0.162 119.847 119.914 0.158 0.000 2.427 202 V HA -0.300 3.821 4.120 0.001 0.000 0.248 202 V C 1.887 177.836 176.094 -0.242 0.000 1.051 202 V CA 2.052 64.332 62.300 -0.035 0.000 1.048 202 V CB -0.750 31.036 31.823 -0.062 0.000 0.666 202 V HN 0.307 nan 8.190 nan 0.000 0.456 203 Y N 0.603 120.741 120.300 -0.270 0.000 2.293 203 Y HA -0.160 4.390 4.550 0.001 0.000 0.291 203 Y C 2.563 178.377 175.900 -0.143 0.000 1.137 203 Y CA 2.031 59.983 58.100 -0.247 0.000 1.202 203 Y CB -0.060 38.129 38.460 -0.452 0.000 0.990 203 Y HN 0.413 nan 8.280 nan 0.000 0.537 204 E N 0.420 120.593 120.200 -0.046 0.000 2.051 204 E HA -0.287 4.064 4.350 0.001 0.000 0.192 204 E C 2.025 178.585 176.600 -0.067 0.000 0.991 204 E CA 1.553 57.948 56.400 -0.009 0.000 0.799 204 E CB -0.013 29.669 29.700 -0.030 0.000 0.748 204 E HN 0.435 nan 8.360 nan 0.000 0.449 205 E N 0.287 120.256 120.200 -0.385 0.000 2.046 205 E HA -0.159 4.192 4.350 0.001 0.000 0.190 205 E C 1.746 178.235 176.600 -0.185 0.000 0.982 205 E CA 1.619 57.778 56.400 -0.400 0.000 0.800 205 E CB 0.118 29.243 29.700 -0.959 0.000 0.756 205 E HN 0.248 nan 8.360 nan 0.000 0.449 206 E N -0.608 119.462 120.200 -0.216 0.000 2.364 206 E HA 0.068 4.419 4.350 0.001 0.000 0.196 206 E C 1.811 178.296 176.600 -0.193 0.000 0.990 206 E CA 0.438 56.754 56.400 -0.140 0.000 0.886 206 E CB 0.874 30.484 29.700 -0.148 0.000 0.866 206 E HN 0.219 nan 8.360 nan 0.000 0.493 207 V N -0.386 119.367 119.914 -0.268 0.000 2.735 207 V HA 0.039 4.159 4.120 0.001 0.000 0.234 207 V C 1.492 177.355 176.094 -0.386 0.000 1.121 207 V CA 0.669 62.724 62.300 -0.407 0.000 1.160 207 V CB -0.338 31.116 31.823 -0.615 0.000 0.908 207 V HN 0.016 nan 8.190 nan 0.000 0.495 208 F N 0.658 120.641 119.950 0.053 0.000 2.754 208 F HA 0.273 4.801 4.527 0.001 0.000 0.297 208 F C 1.567 177.338 175.800 -0.047 0.000 1.122 208 F CA 0.318 58.355 58.000 0.062 0.000 1.400 208 F CB -0.378 38.697 39.000 0.125 0.000 1.117 208 F HN 0.058 nan 8.300 nan 0.000 0.587 209 S N 0.613 116.335 115.700 0.037 0.000 3.549 209 S HA 0.016 4.487 4.470 0.001 0.000 0.366 209 S C 0.043 174.264 174.600 -0.632 0.000 1.012 209 S CA 0.415 58.508 58.200 -0.177 0.000 1.141 209 S CB -1.580 61.561 63.200 -0.099 0.000 0.910 209 S HN 0.681 nan 8.310 nan 0.000 0.471 210 A N -0.469 122.189 122.820 -0.269 0.000 2.583 210 A HA 0.650 4.971 4.320 0.001 0.000 0.292 210 A C -0.372 177.191 177.584 -0.035 0.000 1.045 210 A CA -0.465 51.426 52.037 -0.243 0.000 0.672 210 A CB 0.212 19.078 19.000 -0.224 0.000 1.283 210 A HN 0.359 nan 8.150 nan 0.000 0.419 211 Y N 1.325 121.468 120.300 -0.262 0.000 2.448 211 Y HA 0.235 4.786 4.550 0.001 0.000 0.289 211 Y C 1.530 177.130 175.900 -0.500 0.000 1.114 211 Y CA 0.997 58.945 58.100 -0.254 0.000 1.235 211 Y CB 0.034 38.389 38.460 -0.174 0.000 1.045 211 Y HN 0.700 nan 8.280 nan 0.000 0.554 212 S N 0.609 115.780 115.700 -0.882 0.000 2.549 212 S HA 0.438 4.909 4.470 0.001 0.000 0.283 212 S C 0.360 174.406 174.600 -0.922 0.000 1.320 212 S CA 0.230 57.650 58.200 -1.301 0.000 1.058 212 S CB 0.422 62.548 63.200 -1.789 0.000 0.882 212 S HN 0.429 nan 8.310 nan 0.000 0.498 213 A N 5.665 127.958 122.820 -0.879 0.000 2.663 213 A HA 0.486 4.807 4.320 0.001 0.000 0.273 213 A C -0.477 176.458 177.584 -1.082 0.000 0.932 213 A CA -0.468 50.990 52.037 -0.965 0.000 1.055 213 A CB 0.029 18.891 19.000 -0.230 0.000 1.206 213 A HN 0.710 nan 8.150 nan 0.000 0.485 214 L N 0.279 120.777 121.223 -1.209 0.000 2.346 214 L HA 0.626 4.966 4.340 0.001 0.000 0.274 214 L C -1.052 175.354 176.870 -0.772 0.000 1.007 214 L CA -0.613 53.822 54.840 -0.674 0.000 0.818 214 L CB 1.864 43.715 42.059 -0.346 0.000 1.284 214 L HN 0.433 nan 8.230 nan 0.000 0.424 215 W N 2.201 123.540 121.300 0.065 0.000 2.728 215 W HA 0.213 4.873 4.660 0.001 0.000 0.324 215 W C -1.156 175.579 176.519 0.360 0.000 1.012 215 W CA -1.066 56.438 57.345 0.266 0.000 1.279 215 W CB 1.283 30.959 29.460 0.360 0.000 1.289 215 W HN 0.491 nan 8.180 nan 0.000 0.418 216 W N 2.538 124.052 121.300 0.356 0.000 2.190 216 W HA 0.222 4.883 4.660 0.001 0.000 0.330 216 W C 1.340 177.675 176.519 -0.307 0.000 1.299 216 W CA 0.342 57.752 57.345 0.107 0.000 1.215 216 W CB 0.873 30.369 29.460 0.061 0.000 1.147 216 W HN 0.179 nan 8.180 nan 0.000 0.563 217 S N 2.508 117.929 115.700 -0.464 0.000 2.600 217 S HA 0.183 4.653 4.470 0.001 0.000 0.265 217 S C -1.768 172.546 174.600 -0.475 0.000 1.325 217 S CA -1.005 56.321 58.200 -1.456 0.000 1.002 217 S CB 0.937 63.348 63.200 -1.316 0.000 0.921 217 S HN 0.294 nan 8.310 nan 0.000 0.554 218 P HA -0.178 nan 4.420 nan 0.000 0.218 218 P C 0.800 178.062 177.300 -0.064 0.000 1.154 218 P CA 1.786 64.843 63.100 -0.072 0.000 0.872 218 P CB -0.209 31.500 31.700 0.015 0.000 0.790 219 N N -2.552 116.095 118.700 -0.088 0.000 2.230 219 N HA 0.162 4.903 4.740 0.001 0.000 0.202 219 N C 1.067 176.491 175.510 -0.144 0.000 1.119 219 N CA 0.463 53.458 53.050 -0.091 0.000 0.851 219 N CB -0.523 37.926 38.487 -0.062 0.000 0.990 219 N HN 0.184 nan 8.380 nan 0.000 0.497 220 G N -0.965 107.753 108.800 -0.137 0.000 2.176 220 G HA2 -0.342 3.619 3.960 0.001 0.000 0.253 220 G HA3 -0.342 3.619 3.960 0.001 0.000 0.253 220 G C 0.988 175.900 174.900 0.019 0.000 0.979 220 G CA 0.696 45.704 45.100 -0.153 0.000 0.641 220 G HN 0.356 nan 8.290 nan 0.000 0.530 221 T N 0.162 114.666 114.554 -0.083 0.000 2.674 221 T HA 0.162 4.512 4.350 0.001 0.000 0.265 221 T C 0.938 175.507 174.700 -0.218 0.000 1.039 221 T CA 1.461 63.416 62.100 -0.241 0.000 1.150 221 T CB -0.114 68.469 68.868 -0.476 0.000 0.864 221 T HN 0.306 nan 8.240 nan 0.000 0.427 222 F N 0.113 120.108 119.950 0.076 0.000 2.432 222 F HA 0.636 5.164 4.527 0.001 0.000 0.329 222 F C -0.198 175.695 175.800 0.155 0.000 1.076 222 F CA -1.536 56.549 58.000 0.142 0.000 1.018 222 F CB 1.086 40.243 39.000 0.261 0.000 1.201 222 F HN -0.092 nan 8.300 nan 0.000 0.489 223 L N 2.385 123.785 121.223 0.295 0.000 2.406 223 L HA 0.789 5.129 4.340 0.001 0.000 0.270 223 L C -0.706 176.269 176.870 0.174 0.000 0.982 223 L CA -0.454 54.374 54.840 -0.020 0.000 0.843 223 L CB 0.804 42.559 42.059 -0.506 0.000 1.225 223 L HN 0.668 nan 8.230 nan 0.000 0.412 224 A N 4.492 127.493 122.820 0.303 0.000 2.293 224 A HA 0.802 5.123 4.320 0.001 0.000 0.302 224 A C -1.354 176.325 177.584 0.159 0.000 1.119 224 A CA -0.191 51.892 52.037 0.078 0.000 0.823 224 A CB 0.599 19.685 19.000 0.142 0.000 1.097 224 A HN 0.924 nan 8.150 nan 0.000 0.491 225 Y N -2.035 118.068 120.300 -0.329 0.000 2.624 225 Y HA 0.743 5.294 4.550 0.001 0.000 0.334 225 Y C -0.394 175.396 175.900 -0.184 0.000 1.155 225 Y CA -0.901 57.131 58.100 -0.114 0.000 1.046 225 Y CB 0.791 39.152 38.460 -0.167 0.000 1.316 225 Y HN 0.950 nan 8.280 nan 0.000 0.457 226 A N 1.991 124.918 122.820 0.178 0.000 2.311 226 A HA 0.712 5.032 4.320 0.001 0.000 0.334 226 A C -1.235 176.270 177.584 -0.131 0.000 1.139 226 A CA -0.867 51.130 52.037 -0.067 0.000 0.830 226 A CB 1.799 20.678 19.000 -0.202 0.000 1.234 226 A HN 0.819 nan 8.150 nan 0.000 0.483 227 Q N 1.034 120.678 119.800 -0.259 0.000 2.310 227 Q HA 0.588 4.929 4.340 0.001 0.000 0.270 227 Q C -2.061 173.743 176.000 -0.327 0.000 1.025 227 Q CA -0.357 55.393 55.803 -0.090 0.000 0.772 227 Q CB 1.017 29.915 28.738 0.266 0.000 1.253 227 Q HN 0.587 nan 8.270 nan 0.000 0.450 228 F N 2.295 122.346 119.950 0.168 0.000 2.450 228 F HA 0.423 4.950 4.527 0.001 0.000 0.332 228 F C 0.472 176.424 175.800 0.253 0.000 1.093 228 F CA -0.861 57.216 58.000 0.128 0.000 1.003 228 F CB 1.348 40.330 39.000 -0.030 0.000 1.151 228 F HN 0.444 nan 8.300 nan 0.000 0.474 229 N N 1.894 120.820 118.700 0.377 0.000 2.524 229 N HA 0.216 4.957 4.740 0.001 0.000 0.261 229 N C -0.893 174.794 175.510 0.295 0.000 0.998 229 N CA -0.320 52.914 53.050 0.305 0.000 0.915 229 N CB 0.973 39.584 38.487 0.207 0.000 1.187 229 N HN 0.531 nan 8.380 nan 0.000 0.507 230 D N 1.282 121.883 120.400 0.336 0.000 2.368 230 D HA 0.119 4.759 4.640 0.001 0.000 0.218 230 D C 1.254 177.678 176.300 0.206 0.000 1.112 230 D CA 0.169 54.341 54.000 0.286 0.000 0.834 230 D CB 0.533 41.566 40.800 0.389 0.000 0.953 230 D HN 0.463 nan 8.370 nan 0.000 0.505 231 T N 0.583 115.239 114.554 0.170 0.000 2.653 231 T HA -0.241 4.109 4.350 0.001 0.000 0.267 231 T C 1.273 176.033 174.700 0.099 0.000 1.037 231 T CA 1.433 63.604 62.100 0.119 0.000 1.159 231 T CB -0.100 68.826 68.868 0.097 0.000 0.859 231 T HN 0.336 nan 8.240 nan 0.000 0.449 232 E N 0.326 120.584 120.200 0.098 0.000 2.465 232 E HA 0.194 4.544 4.350 0.001 0.000 0.195 232 E C -0.495 176.154 176.600 0.083 0.000 1.028 232 E CA -0.271 56.176 56.400 0.078 0.000 0.899 232 E CB 0.538 30.276 29.700 0.064 0.000 1.032 232 E HN 0.211 nan 8.360 nan 0.000 0.468 233 V N 3.321 123.299 119.914 0.106 0.000 2.488 233 V HA 0.123 4.244 4.120 0.001 0.000 0.277 233 V C -1.992 174.158 176.094 0.093 0.000 1.046 233 V CA -1.661 60.703 62.300 0.107 0.000 0.986 233 V CB 0.547 32.452 31.823 0.137 0.000 0.989 233 V HN 0.044 nan 8.190 nan 0.000 0.475 234 P HA 0.250 nan 4.420 nan 0.000 0.270 234 P C -0.853 176.483 177.300 0.060 0.000 1.223 234 P CA -0.285 62.850 63.100 0.059 0.000 0.785 234 P CB 0.508 32.240 31.700 0.053 0.000 0.923 235 L N 2.100 123.338 121.223 0.024 0.000 2.317 235 L HA 0.429 4.769 4.340 0.001 0.000 0.281 235 L C 0.160 176.984 176.870 -0.077 0.000 1.024 235 L CA -0.696 54.143 54.840 -0.002 0.000 0.810 235 L CB 1.130 43.186 42.059 -0.005 0.000 1.240 235 L HN 0.292 nan 8.230 nan 0.000 0.427 236 I N 2.523 122.998 120.570 -0.159 0.000 2.428 236 I HA 0.273 4.444 4.170 0.001 0.000 0.289 236 I C -0.358 175.622 176.117 -0.229 0.000 1.019 236 I CA 0.225 61.329 61.300 -0.327 0.000 1.351 236 I CB 0.677 38.199 38.000 -0.797 0.000 1.412 236 I HN 0.589 nan 8.210 nan 0.000 0.513 237 E N 7.288 127.376 120.200 -0.187 0.000 2.222 237 E HA 0.513 4.864 4.350 0.001 0.000 0.267 237 E C -1.773 174.784 176.600 -0.072 0.000 0.884 237 E CA -0.584 55.715 56.400 -0.169 0.000 0.764 237 E CB 2.077 31.698 29.700 -0.131 0.000 1.169 237 E HN 0.574 nan 8.360 nan 0.000 0.413 238 Y N -1.788 118.431 120.300 -0.136 0.000 2.609 238 Y HA 0.536 5.087 4.550 0.001 0.000 0.336 238 Y C -0.722 175.116 175.900 -0.103 0.000 1.129 238 Y CA -1.264 56.766 58.100 -0.116 0.000 1.040 238 Y CB 0.764 39.166 38.460 -0.098 0.000 1.310 238 Y HN 0.211 nan 8.280 nan 0.000 0.460 239 S N 1.705 117.402 115.700 -0.005 0.000 2.584 239 S HA 0.525 4.996 4.470 0.001 0.000 0.273 239 S C -1.430 173.031 174.600 -0.231 0.000 1.311 239 S CA -0.384 57.669 58.200 -0.246 0.000 1.034 239 S CB 0.641 63.551 63.200 -0.482 0.000 0.939 239 S HN 0.541 nan 8.310 nan 0.000 0.513 240 F N 1.719 121.386 119.950 -0.472 0.000 2.536 240 F HA 0.433 4.961 4.527 0.001 0.000 0.322 240 F C -0.313 175.235 175.800 -0.421 0.000 1.144 240 F CA -0.934 56.889 58.000 -0.294 0.000 0.924 240 F CB 0.864 39.813 39.000 -0.084 0.000 1.181 240 F HN 0.643 nan 8.300 nan 0.000 0.438 241 Y N 2.693 122.765 120.300 -0.380 0.000 2.397 241 Y HA 0.116 4.667 4.550 0.001 0.000 0.292 241 Y C 1.745 177.559 175.900 -0.143 0.000 1.115 241 Y CA 1.185 59.158 58.100 -0.211 0.000 1.208 241 Y CB -0.479 37.852 38.460 -0.215 0.000 1.046 241 Y HN 0.745 nan 8.280 nan 0.000 0.552 242 S N -0.389 115.198 115.700 -0.188 0.000 3.443 242 S HA -0.219 4.251 4.470 0.001 0.000 0.635 242 S C -0.557 174.085 174.600 0.071 0.000 2.555 242 S CA 0.265 58.521 58.200 0.092 0.000 2.778 242 S CB -1.173 62.185 63.200 0.263 0.000 0.331 242 S HN 0.458 nan 8.310 nan 0.000 1.765 243 D N 1.550 122.013 120.400 0.105 0.000 2.368 243 D HA 0.149 4.790 4.640 0.001 0.000 0.240 243 D C 1.373 177.706 176.300 0.055 0.000 1.169 243 D CA 0.304 54.346 54.000 0.071 0.000 0.906 243 D CB 0.254 41.097 40.800 0.073 0.000 1.187 243 D HN 0.640 nan 8.370 nan 0.000 0.435 244 E N 0.506 120.727 120.200 0.035 0.000 2.219 244 E HA -0.233 4.117 4.350 0.001 0.000 0.198 244 E C 1.555 178.170 176.600 0.024 0.000 0.998 244 E CA 1.320 57.733 56.400 0.021 0.000 0.818 244 E CB 0.149 29.856 29.700 0.010 0.000 0.741 244 E HN 0.438 nan 8.360 nan 0.000 0.477 245 S N 0.136 115.856 115.700 0.033 0.000 2.447 245 S HA -0.130 4.341 4.470 0.001 0.000 0.233 245 S C 0.911 175.536 174.600 0.043 0.000 1.006 245 S CA -0.015 58.206 58.200 0.034 0.000 0.957 245 S CB -0.179 63.043 63.200 0.037 0.000 0.773 245 S HN 0.233 nan 8.310 nan 0.000 0.507 246 L N 2.573 123.830 121.223 0.058 0.000 2.433 246 L HA 0.293 4.634 4.340 0.001 0.000 0.275 246 L C 1.387 178.292 176.870 0.059 0.000 1.128 246 L CA 0.158 55.044 54.840 0.075 0.000 0.875 246 L CB 0.518 42.636 42.059 0.098 0.000 1.171 246 L HN 0.292 nan 8.230 nan 0.000 0.463 247 Q N 3.928 123.767 119.800 0.065 0.000 2.083 247 Q HA -0.074 4.266 4.340 0.001 0.000 0.198 247 Q C -0.538 175.389 176.000 -0.121 0.000 0.969 247 Q CA 1.285 57.076 55.803 -0.020 0.000 0.838 247 Q CB 0.148 28.894 28.738 0.012 0.000 0.900 247 Q HN 0.690 nan 8.270 nan 0.000 0.436 248 Y N 0.606 120.918 120.300 0.021 0.000 2.341 248 Y HA 0.386 4.937 4.550 0.001 0.000 0.338 248 Y C -2.048 173.858 175.900 0.009 0.000 0.965 248 Y CA -2.905 55.203 58.100 0.014 0.000 1.108 248 Y CB 1.418 39.878 38.460 0.000 0.000 1.180 248 Y HN 0.146 nan 8.280 nan 0.000 0.458 249 P HA -0.007 nan 4.420 nan 0.000 0.268 249 P C -0.785 176.514 177.300 -0.002 0.000 1.208 249 P CA -0.386 62.715 63.100 0.002 0.000 0.777 249 P CB 0.695 32.330 31.700 -0.108 0.000 0.875 250 K N 1.011 121.393 120.400 -0.029 0.000 2.110 250 K HA 0.376 4.697 4.320 0.001 0.000 0.263 250 K C -0.771 175.777 176.600 -0.087 0.000 0.975 250 K CA -0.394 55.882 56.287 -0.019 0.000 0.895 250 K CB 0.617 33.138 32.500 0.036 0.000 1.060 250 K HN 0.306 nan 8.250 nan 0.000 0.448 251 T N 2.982 117.473 114.554 -0.106 0.000 2.756 251 T HA 0.240 4.591 4.350 0.001 0.000 0.290 251 T C -0.655 173.915 174.700 -0.217 0.000 0.985 251 T CA -0.623 61.380 62.100 -0.162 0.000 0.955 251 T CB 1.041 69.833 68.868 -0.127 0.000 0.930 251 T HN 0.310 nan 8.240 nan 0.000 0.451 252 V N 5.503 125.186 119.914 -0.384 0.000 2.546 252 V HA 0.445 4.566 4.120 0.001 0.000 0.284 252 V C 0.412 176.247 176.094 -0.431 0.000 1.050 252 V CA -0.545 61.478 62.300 -0.462 0.000 0.981 252 V CB 0.926 32.272 31.823 -0.796 0.000 0.990 252 V HN 0.715 nan 8.190 nan 0.000 0.474 253 R N 3.449 123.820 120.500 -0.214 0.000 2.476 253 R HA 0.728 5.069 4.340 0.001 0.000 0.305 253 R C -1.710 174.577 176.300 -0.021 0.000 0.965 253 R CA -0.605 55.417 56.100 -0.132 0.000 0.867 253 R CB 2.237 32.488 30.300 -0.081 0.000 1.176 253 R HN 0.499 nan 8.270 nan 0.000 0.447 254 V N 4.134 124.036 119.914 -0.019 0.000 2.531 254 V HA 0.322 4.443 4.120 0.001 0.000 0.301 254 V C -2.382 173.757 176.094 0.075 0.000 1.034 254 V CA -2.428 59.917 62.300 0.075 0.000 0.865 254 V CB 2.240 34.055 31.823 -0.014 0.000 0.995 254 V HN 0.613 nan 8.190 nan 0.000 0.424 255 P HA 0.165 nan 4.420 nan 0.000 0.264 255 P C -1.365 176.038 177.300 0.171 0.000 1.229 255 P CA 0.313 63.517 63.100 0.173 0.000 0.780 255 P CB -0.180 31.670 31.700 0.250 0.000 0.808 256 Y N 6.532 126.801 120.300 -0.051 0.000 2.307 256 Y HA 0.386 4.937 4.550 0.001 0.000 0.323 256 Y C -2.754 173.110 175.900 -0.061 0.000 1.100 256 Y CA -2.877 55.142 58.100 -0.135 0.000 1.140 256 Y CB 1.836 40.087 38.460 -0.349 0.000 1.159 256 Y HN 0.279 nan 8.280 nan 0.000 0.436 257 P HA 0.261 nan 4.420 nan 0.000 0.287 257 P C -0.948 176.392 177.300 0.067 0.000 1.307 257 P CA -0.227 62.909 63.100 0.060 0.000 0.777 257 P CB 1.476 33.194 31.700 0.030 0.000 0.883 258 K N 2.030 122.551 120.400 0.200 0.000 2.117 258 K HA 0.504 4.824 4.320 0.001 0.000 0.240 258 K C 0.582 177.278 176.600 0.160 0.000 1.031 258 K CA -0.714 55.714 56.287 0.235 0.000 0.909 258 K CB 0.496 33.156 32.500 0.267 0.000 1.097 258 K HN 0.456 nan 8.250 nan 0.000 0.492 259 A N 0.653 123.597 122.820 0.206 0.000 2.580 259 A HA 0.269 4.590 4.320 0.001 0.000 0.244 259 A C 1.203 178.828 177.584 0.068 0.000 1.045 259 A CA 1.035 53.184 52.037 0.186 0.000 0.761 259 A CB -1.217 17.992 19.000 0.348 0.000 0.962 259 A HN 0.899 nan 8.150 nan 0.000 0.512 260 G N 0.916 109.743 108.800 0.044 0.000 2.205 260 G HA2 0.091 4.052 3.960 0.001 0.000 0.261 260 G HA3 0.091 4.052 3.960 0.001 0.000 0.261 260 G C 0.704 175.614 174.900 0.017 0.000 0.980 260 G CA 0.834 45.933 45.100 -0.003 0.000 0.632 260 G HN 2.195 nan 8.290 nan 0.000 0.533 261 A N -0.368 122.479 122.820 0.045 0.000 2.259 261 A HA 0.740 5.060 4.320 0.001 0.000 0.278 261 A C 0.854 178.466 177.584 0.048 0.000 1.107 261 A CA 0.318 52.384 52.037 0.049 0.000 0.828 261 A CB 0.654 19.697 19.000 0.072 0.000 1.111 261 A HN 1.152 nan 8.150 nan 0.000 0.498 262 V N 2.373 122.317 119.914 0.049 0.000 2.529 262 V HA 0.035 4.156 4.120 0.001 0.000 0.292 262 V C 0.305 176.439 176.094 0.068 0.000 1.028 262 V CA -0.078 62.252 62.300 0.049 0.000 1.074 262 V CB -0.092 31.762 31.823 0.050 0.000 0.958 262 V HN 0.795 nan 8.190 nan 0.000 0.481 263 N N 6.184 124.924 118.700 0.066 0.000 2.476 263 N HA 0.490 5.231 4.740 0.001 0.000 0.275 263 N C -2.365 173.226 175.510 0.135 0.000 1.190 263 N CA -1.481 51.630 53.050 0.102 0.000 0.977 263 N CB 1.204 39.745 38.487 0.091 0.000 1.200 263 N HN 0.397 nan 8.380 nan 0.000 0.515 264 P HA 0.122 nan 4.420 nan 0.000 0.274 264 P C -0.461 176.996 177.300 0.262 0.000 1.237 264 P CA -0.166 63.090 63.100 0.260 0.000 0.793 264 P CB 0.450 32.351 31.700 0.336 0.000 0.977 265 T N -1.887 112.803 114.554 0.227 0.000 2.952 265 T HA 0.611 4.962 4.350 0.001 0.000 0.286 265 T C -0.294 174.538 174.700 0.221 0.000 1.024 265 T CA -0.848 61.344 62.100 0.153 0.000 1.029 265 T CB 1.489 70.409 68.868 0.088 0.000 1.094 265 T HN 0.348 nan 8.240 nan 0.000 0.515 266 V N 0.165 120.178 119.914 0.165 0.000 2.925 266 V HA 0.758 4.878 4.120 0.001 0.000 0.311 266 V C -1.590 174.574 176.094 0.118 0.000 1.104 266 V CA -0.853 61.508 62.300 0.102 0.000 0.954 266 V CB 2.131 34.048 31.823 0.158 0.000 1.022 266 V HN 1.055 nan 8.190 nan 0.000 0.427 267 K N 4.078 124.475 120.400 -0.003 0.000 2.435 267 K HA 0.593 4.914 4.320 0.001 0.000 0.251 267 K C -1.988 174.493 176.600 -0.198 0.000 0.954 267 K CA -0.521 55.723 56.287 -0.072 0.000 0.820 267 K CB 2.793 35.219 32.500 -0.123 0.000 1.292 267 K HN 0.544 nan 8.250 nan 0.000 0.436 268 F N 2.053 121.659 119.950 -0.573 0.000 2.540 268 F HA 0.585 5.113 4.527 0.001 0.000 0.317 268 F C -1.502 173.713 175.800 -0.975 0.000 1.104 268 F CA -0.708 56.932 58.000 -0.599 0.000 0.913 268 F CB 0.903 39.683 39.000 -0.368 0.000 1.170 268 F HN 0.394 nan 8.300 nan 0.000 0.450 269 F N 3.611 122.803 119.950 -1.263 0.000 2.629 269 F HA 0.783 5.311 4.527 0.001 0.000 0.316 269 F C -1.005 174.121 175.800 -1.123 0.000 1.081 269 F CA -1.236 56.134 58.000 -1.051 0.000 0.954 269 F CB 2.072 40.385 39.000 -1.146 0.000 1.337 269 F HN 0.135 nan 8.300 nan 0.000 0.474 270 V N 2.221 121.908 119.914 -0.377 0.000 2.623 270 V HA 0.604 4.725 4.120 0.001 0.000 0.304 270 V C -1.241 174.936 176.094 0.138 0.000 1.054 270 V CA -0.798 61.366 62.300 -0.227 0.000 0.882 270 V CB 1.981 33.473 31.823 -0.552 0.000 1.002 270 V HN 0.623 nan 8.190 nan 0.000 0.424 271 V N 4.278 124.346 119.914 0.258 0.000 2.680 271 V HA 0.603 4.724 4.120 0.001 0.000 0.309 271 V C -0.442 175.885 176.094 0.389 0.000 1.052 271 V CA -0.593 61.888 62.300 0.301 0.000 0.908 271 V CB 2.166 34.109 31.823 0.199 0.000 1.001 271 V HN 0.930 nan 8.190 nan 0.000 0.431 272 N N 3.328 122.229 118.700 0.336 0.000 2.406 272 N HA 0.153 4.894 4.740 0.001 0.000 0.251 272 N C 0.926 176.437 175.510 0.001 0.000 1.069 272 N CA 0.525 53.654 53.050 0.132 0.000 0.947 272 N CB 1.746 40.272 38.487 0.066 0.000 1.111 272 N HN 0.905 nan 8.380 nan 0.000 0.497 273 T N -0.420 114.120 114.554 -0.024 0.000 3.113 273 T HA 0.070 4.420 4.350 0.001 0.000 0.256 273 T C 0.555 175.201 174.700 -0.090 0.000 1.131 273 T CA 0.430 62.516 62.100 -0.023 0.000 1.074 273 T CB 0.170 69.128 68.868 0.150 0.000 0.944 273 T HN 0.264 nan 8.240 nan 0.000 0.516 274 D N 1.942 122.263 120.400 -0.131 0.000 2.348 274 D HA 0.066 4.707 4.640 0.001 0.000 0.211 274 D C 1.227 177.461 176.300 -0.110 0.000 0.998 274 D CA 0.589 54.513 54.000 -0.125 0.000 0.873 274 D CB 0.261 40.968 40.800 -0.156 0.000 0.925 274 D HN 0.636 nan 8.370 nan 0.000 0.524 275 S N -0.120 115.515 115.700 -0.108 0.000 2.581 275 S HA 0.304 4.775 4.470 0.001 0.000 0.245 275 S C 0.370 174.907 174.600 -0.105 0.000 1.115 275 S CA -0.585 57.570 58.200 -0.075 0.000 1.093 275 S CB -0.183 63.002 63.200 -0.024 0.000 0.853 275 S HN -0.019 nan 8.310 nan 0.000 0.479 276 L N 2.084 123.167 121.223 -0.233 0.000 2.371 276 L HA 0.584 4.925 4.340 0.001 0.000 0.272 276 L C 0.489 177.203 176.870 -0.261 0.000 1.124 276 L CA -0.271 54.337 54.840 -0.386 0.000 0.816 276 L CB 1.402 42.892 42.059 -0.948 0.000 1.129 276 L HN 0.384 nan 8.230 nan 0.000 0.448 277 S N -0.127 115.545 115.700 -0.046 0.000 2.521 277 S HA 0.319 4.789 4.470 0.001 0.000 0.295 277 S C 0.558 175.352 174.600 0.324 0.000 1.098 277 S CA -0.507 57.781 58.200 0.146 0.000 0.999 277 S CB 1.761 65.016 63.200 0.093 0.000 1.034 277 S HN 0.639 nan 8.310 nan 0.000 0.483 278 S N 2.972 118.873 115.700 0.336 0.000 2.593 278 S HA 0.091 4.562 4.470 0.001 0.000 0.217 278 S C 1.002 175.691 174.600 0.147 0.000 0.966 278 S CA 0.149 58.489 58.200 0.233 0.000 0.914 278 S CB -0.003 63.267 63.200 0.116 0.000 0.776 278 S HN 0.548 nan 8.310 nan 0.000 0.523 279 V N 0.600 120.593 119.914 0.131 0.000 3.523 279 V HA 0.216 4.337 4.120 0.001 0.000 0.255 279 V C 0.641 176.783 176.094 0.080 0.000 1.226 279 V CA 0.704 63.057 62.300 0.089 0.000 1.092 279 V CB 0.266 32.130 31.823 0.068 0.000 0.817 279 V HN 0.448 nan 8.190 nan 0.000 0.458 280 T N 0.499 115.111 114.554 0.097 0.000 2.907 280 T HA 0.407 4.758 4.350 0.001 0.000 0.292 280 T C -0.484 174.282 174.700 0.111 0.000 1.043 280 T CA -0.506 61.640 62.100 0.076 0.000 1.003 280 T CB 1.721 70.622 68.868 0.056 0.000 1.084 280 T HN 0.041 nan 8.240 nan 0.000 0.483 281 N N 1.483 120.235 118.700 0.088 0.000 2.530 281 N HA 0.447 5.188 4.740 0.001 0.000 0.273 281 N C 0.061 175.642 175.510 0.117 0.000 1.173 281 N CA -0.245 52.890 53.050 0.143 0.000 0.967 281 N CB 0.867 39.394 38.487 0.066 0.000 1.109 281 N HN 0.829 nan 8.380 nan 0.000 0.453 282 A N 1.414 124.317 122.820 0.137 0.000 2.498 282 A HA 0.221 4.542 4.320 0.001 0.000 0.239 282 A C 0.221 177.853 177.584 0.081 0.000 1.068 282 A CA 0.187 52.273 52.037 0.081 0.000 0.766 282 A CB -0.020 19.008 19.000 0.047 0.000 1.003 282 A HN 0.538 nan 8.150 nan 0.000 0.497 283 T N 2.653 117.257 114.554 0.084 0.000 2.749 283 T HA 0.424 4.774 4.350 0.001 0.000 0.287 283 T C 0.072 174.850 174.700 0.130 0.000 0.970 283 T CA 0.030 62.189 62.100 0.098 0.000 0.980 283 T CB 0.657 69.590 68.868 0.107 0.000 0.924 283 T HN 0.550 nan 8.240 nan 0.000 0.456 284 S N 3.781 119.548 115.700 0.113 0.000 2.462 284 S HA 0.467 4.938 4.470 0.001 0.000 0.294 284 S C 0.073 174.810 174.600 0.227 0.000 1.144 284 S CA -0.801 57.487 58.200 0.147 0.000 1.088 284 S CB 0.411 63.617 63.200 0.010 0.000 1.009 284 S HN 0.479 nan 8.310 nan 0.000 0.484 285 I N 3.329 124.056 120.570 0.261 0.000 2.325 285 I HA 0.268 4.438 4.170 0.001 0.000 0.291 285 I C 0.581 176.816 176.117 0.197 0.000 1.019 285 I CA -0.233 61.230 61.300 0.271 0.000 1.302 285 I CB 0.911 39.145 38.000 0.390 0.000 1.401 285 I HN 0.662 nan 8.210 nan 0.000 0.485 286 Q N 6.032 125.930 119.800 0.164 0.000 2.293 286 Q HA 0.495 4.835 4.340 0.001 0.000 0.251 286 Q C -1.050 174.902 176.000 -0.081 0.000 0.930 286 Q CA -0.396 55.332 55.803 -0.124 0.000 0.893 286 Q CB 1.381 30.016 28.738 -0.171 0.000 1.215 286 Q HN 0.550 nan 8.270 nan 0.000 0.425 287 I N 3.839 124.335 120.570 -0.124 0.000 2.382 287 I HA 0.208 4.378 4.170 0.001 0.000 0.285 287 I C 0.145 176.265 176.117 0.004 0.000 1.007 287 I CA -0.691 60.610 61.300 0.002 0.000 1.142 287 I CB 1.618 39.659 38.000 0.068 0.000 1.289 287 I HN 0.681 nan 8.210 nan 0.000 0.453 288 T N 2.911 117.431 114.554 -0.056 0.000 2.904 288 T HA 0.659 5.009 4.350 0.001 0.000 0.290 288 T C 0.350 174.881 174.700 -0.281 0.000 1.018 288 T CA -0.778 61.235 62.100 -0.145 0.000 1.075 288 T CB 1.680 70.456 68.868 -0.152 0.000 0.986 288 T HN 0.574 nan 8.240 nan 0.000 0.523 289 A N 3.416 125.826 122.820 -0.684 0.000 2.366 289 A HA 0.586 4.907 4.320 0.001 0.000 0.249 289 A C -1.768 175.341 177.584 -0.791 0.000 1.084 289 A CA -1.585 49.618 52.037 -1.390 0.000 0.794 289 A CB -0.620 17.028 19.000 -2.254 0.000 1.034 289 A HN 0.833 nan 8.150 nan 0.000 0.491 290 P HA 0.133 nan 4.420 nan 0.000 0.271 290 P C 0.702 177.787 177.300 -0.359 0.000 1.233 290 P CA 0.544 63.415 63.100 -0.381 0.000 0.789 290 P CB 0.806 32.352 31.700 -0.256 0.000 0.951 291 A N 2.236 124.916 122.820 -0.233 0.000 1.940 291 A HA -0.182 4.138 4.320 0.001 0.000 0.219 291 A C 2.214 179.686 177.584 -0.187 0.000 1.176 291 A CA 2.294 54.214 52.037 -0.195 0.000 0.631 291 A CB -1.770 17.151 19.000 -0.132 0.000 0.814 291 A HN 0.681 nan 8.150 nan 0.000 0.446 292 S N -2.049 113.560 115.700 -0.153 0.000 2.500 292 S HA -0.071 4.399 4.470 0.001 0.000 0.239 292 S C 1.576 176.080 174.600 -0.160 0.000 0.989 292 S CA 1.667 59.790 58.200 -0.127 0.000 0.951 292 S CB -0.208 62.978 63.200 -0.025 0.000 0.759 292 S HN 0.357 nan 8.310 nan 0.000 0.523 293 M N 0.973 120.419 119.600 -0.257 0.000 2.691 293 M HA 0.485 4.966 4.480 0.001 0.000 0.261 293 M C 1.614 177.637 176.300 -0.462 0.000 1.227 293 M CA 0.842 55.919 55.300 -0.373 0.000 1.197 293 M CB -0.502 31.731 32.600 -0.610 0.000 1.294 293 M HN 0.236 nan 8.290 nan 0.000 0.508 294 L N 0.674 121.621 121.223 -0.460 0.000 2.450 294 L HA -0.132 4.209 4.340 0.001 0.000 0.224 294 L C 2.025 178.819 176.870 -0.127 0.000 1.149 294 L CA 0.707 55.371 54.840 -0.292 0.000 0.816 294 L CB -1.051 40.856 42.059 -0.254 0.000 0.932 294 L HN 0.397 nan 8.230 nan 0.000 0.449 295 I N -2.605 117.888 120.570 -0.129 0.000 2.567 295 I HA 0.064 4.235 4.170 0.001 0.000 0.257 295 I C 1.115 177.203 176.117 -0.047 0.000 1.184 295 I CA 0.812 62.062 61.300 -0.084 0.000 1.451 295 I CB -0.504 37.437 38.000 -0.099 0.000 1.089 295 I HN 0.107 nan 8.210 nan 0.000 0.441 296 G N 0.001 108.790 108.800 -0.018 0.000 2.706 296 G HA2 0.284 4.245 3.960 0.001 0.000 0.307 296 G HA3 0.284 4.245 3.960 0.001 0.000 0.307 296 G C -1.771 173.175 174.900 0.077 0.000 1.307 296 G CA -0.562 44.542 45.100 0.008 0.000 0.790 296 G HN 0.013 nan 8.290 nan 0.000 0.503 297 D N 1.101 121.500 120.400 -0.002 0.000 2.399 297 D HA 0.427 5.068 4.640 0.001 0.000 0.241 297 D C 0.347 176.594 176.300 -0.090 0.000 1.133 297 D CA 0.703 54.646 54.000 -0.095 0.000 0.890 297 D CB 0.538 41.245 40.800 -0.156 0.000 1.201 297 D HN 0.565 nan 8.370 nan 0.000 0.432 298 H N -1.137 117.777 119.070 -0.259 0.000 2.918 298 H HA 0.423 4.979 4.556 0.001 0.000 0.303 298 H C -1.430 173.736 175.328 -0.269 0.000 1.380 298 H CA -0.776 55.124 56.048 -0.247 0.000 1.134 298 H CB 0.358 30.108 29.762 -0.021 0.000 1.842 298 H HN 0.323 nan 8.280 nan 0.000 0.533 299 Y N -0.160 120.383 120.300 0.405 0.000 2.581 299 Y HA 0.440 4.991 4.550 0.001 0.000 0.345 299 Y C -0.582 175.630 175.900 0.520 0.000 1.036 299 Y CA -1.156 57.197 58.100 0.421 0.000 1.042 299 Y CB 1.944 40.505 38.460 0.169 0.000 1.289 299 Y HN 0.502 nan 8.280 nan 0.000 0.471 300 L N 2.543 124.140 121.223 0.623 0.000 2.265 300 L HA 0.466 4.807 4.340 0.001 0.000 0.289 300 L C 0.289 177.240 176.870 0.135 0.000 1.033 300 L CA -0.364 54.501 54.840 0.042 0.000 0.814 300 L CB 0.570 42.541 42.059 -0.147 0.000 1.203 300 L HN 0.973 nan 8.230 nan 0.000 0.423 301 C N 1.202 120.437 119.300 -0.108 0.000 3.230 301 C HA 0.512 4.973 4.460 0.001 0.000 0.300 301 C C 0.225 175.054 174.990 -0.269 0.000 1.292 301 C CA -0.379 58.494 59.018 -0.242 0.000 1.707 301 C CB -0.675 26.975 27.740 -0.149 0.000 2.181 301 C HN 0.849 nan 8.230 nan 0.000 0.655 302 D N 0.057 120.330 120.400 -0.212 0.000 2.769 302 D HA 0.438 5.078 4.640 0.001 0.000 0.219 302 D C -1.903 174.137 176.300 -0.433 0.000 1.245 302 D CA 0.088 53.988 54.000 -0.167 0.000 0.801 302 D CB 2.823 43.519 40.800 -0.173 0.000 1.598 302 D HN 0.040 nan 8.370 nan 0.000 0.485 303 V N 2.411 122.008 119.914 -0.529 0.000 2.524 303 V HA 0.512 4.633 4.120 0.001 0.000 0.297 303 V C -0.520 175.199 176.094 -0.626 0.000 1.035 303 V CA -0.377 61.356 62.300 -0.945 0.000 0.867 303 V CB 1.915 32.596 31.823 -1.902 0.000 1.004 303 V HN 0.630 nan 8.190 nan 0.000 0.426 304 T N 3.598 117.870 114.554 -0.470 0.000 3.031 304 T HA 0.358 4.708 4.350 0.001 0.000 0.305 304 T C -0.838 173.749 174.700 -0.189 0.000 0.985 304 T CA -0.459 61.531 62.100 -0.184 0.000 1.008 304 T CB 0.836 69.667 68.868 -0.062 0.000 1.005 304 T HN 0.515 nan 8.240 nan 0.000 0.444 305 W N 2.059 123.326 121.300 -0.056 0.000 2.216 305 W HA 0.472 5.133 4.660 0.001 0.000 0.326 305 W C 1.151 177.582 176.519 -0.146 0.000 1.319 305 W CA -0.257 57.045 57.345 -0.073 0.000 1.213 305 W CB 0.588 30.082 29.460 0.056 0.000 1.171 305 W HN 0.844 nan 8.180 nan 0.000 0.557 306 A N 1.908 124.648 122.820 -0.135 0.000 1.920 306 A HA 0.215 4.535 4.320 0.001 0.000 0.209 306 A C 0.861 178.426 177.584 -0.032 0.000 1.229 306 A CA 1.524 53.260 52.037 -0.502 0.000 0.671 306 A CB -0.350 17.841 19.000 -1.348 0.000 0.886 306 A HN 0.537 nan 8.150 nan 0.000 0.461 307 T N -5.650 108.981 114.554 0.129 0.000 2.647 307 T HA 0.330 4.681 4.350 0.001 0.000 0.295 307 T C 0.130 175.003 174.700 0.288 0.000 1.126 307 T CA -0.351 61.862 62.100 0.189 0.000 1.040 307 T CB 0.604 69.560 68.868 0.148 0.000 1.472 307 T HN -0.048 nan 8.240 nan 0.000 0.500 308 Q N 0.366 120.295 119.800 0.216 0.000 2.291 308 Q HA 0.004 4.344 4.340 0.001 0.000 0.206 308 Q C 0.793 177.039 176.000 0.410 0.000 0.976 308 Q CA 1.521 57.454 55.803 0.218 0.000 0.875 308 Q CB -0.151 28.677 28.738 0.151 0.000 0.927 308 Q HN 0.824 nan 8.270 nan 0.000 0.450 309 E N -0.314 120.134 120.200 0.414 0.000 2.876 309 E HA 0.202 4.553 4.350 0.001 0.000 0.208 309 E C -0.256 176.630 176.600 0.477 0.000 0.981 309 E CA -0.168 56.500 56.400 0.446 0.000 1.174 309 E CB 1.046 30.909 29.700 0.271 0.000 1.047 309 E HN -0.038 nan 8.360 nan 0.000 0.477 310 R N 1.624 122.421 120.500 0.494 0.000 2.538 310 R HA 0.530 4.871 4.340 0.001 0.000 0.292 310 R C -1.762 174.561 176.300 0.038 0.000 1.008 310 R CA -0.463 55.794 56.100 0.261 0.000 0.896 310 R CB 1.350 31.687 30.300 0.061 0.000 1.187 310 R HN 0.091 nan 8.270 nan 0.000 0.440 311 I N 2.937 123.353 120.570 -0.256 0.000 2.689 311 I HA 0.475 4.646 4.170 0.001 0.000 0.299 311 I C -0.931 174.866 176.117 -0.532 0.000 1.059 311 I CA -0.519 60.355 61.300 -0.708 0.000 1.055 311 I CB 2.305 39.445 38.000 -1.433 0.000 1.243 311 I HN 0.856 nan 8.210 nan 0.000 0.425 312 S N 7.353 122.733 115.700 -0.535 0.000 2.532 312 S HA 0.818 5.289 4.470 0.001 0.000 0.301 312 S C -1.032 173.249 174.600 -0.531 0.000 1.083 312 S CA -0.730 57.234 58.200 -0.395 0.000 1.025 312 S CB 1.761 64.837 63.200 -0.207 0.000 1.056 312 S HN 0.561 nan 8.310 nan 0.000 0.494 313 L N 1.413 122.336 121.223 -0.501 0.000 2.431 313 L HA 0.553 4.893 4.340 0.001 0.000 0.266 313 L C -0.625 175.930 176.870 -0.525 0.000 0.978 313 L CA -0.728 53.690 54.840 -0.704 0.000 0.822 313 L CB 2.258 43.751 42.059 -0.943 0.000 1.310 313 L HN 0.679 nan 8.230 nan 0.000 0.409 314 Q N 1.361 120.828 119.800 -0.554 0.000 2.337 314 Q HA 0.494 4.834 4.340 0.001 0.000 0.266 314 Q C -1.765 174.011 176.000 -0.373 0.000 1.023 314 Q CA -0.579 55.032 55.803 -0.321 0.000 0.829 314 Q CB 2.601 31.213 28.738 -0.211 0.000 1.306 314 Q HN 0.416 nan 8.270 nan 0.000 0.449 315 W N 2.223 123.479 121.300 -0.073 0.000 2.689 315 W HA 0.628 5.289 4.660 0.001 0.000 0.340 315 W C -0.977 175.580 176.519 0.062 0.000 1.060 315 W CA -0.679 56.673 57.345 0.012 0.000 1.218 315 W CB 1.151 30.596 29.460 -0.025 0.000 1.410 315 W HN 0.379 nan 8.180 nan 0.000 0.528 316 L N 2.720 124.182 121.223 0.398 0.000 2.410 316 L HA 0.576 4.917 4.340 0.001 0.000 0.270 316 L C -0.102 176.971 176.870 0.339 0.000 0.983 316 L CA -1.134 53.899 54.840 0.321 0.000 0.822 316 L CB 1.319 43.547 42.059 0.283 0.000 1.285 316 L HN 0.410 nan 8.230 nan 0.000 0.409 317 R N 2.498 123.158 120.500 0.266 0.000 2.679 317 R HA 0.215 4.556 4.340 0.001 0.000 0.269 317 R C 0.976 177.351 176.300 0.125 0.000 1.076 317 R CA -0.171 56.031 56.100 0.170 0.000 1.160 317 R CB 0.535 30.915 30.300 0.133 0.000 1.054 317 R HN 0.651 nan 8.270 nan 0.000 0.507 318 R N 1.223 121.709 120.500 -0.024 0.000 2.127 318 R HA -0.063 4.277 4.340 0.001 0.000 0.238 318 R C 0.350 176.709 176.300 0.098 0.000 1.134 318 R CA 1.086 57.160 56.100 -0.042 0.000 0.975 318 R CB 0.209 30.421 30.300 -0.146 0.000 0.865 318 R HN 0.373 nan 8.270 nan 0.000 0.447 319 I N 2.824 123.436 120.570 0.069 0.000 2.278 319 I HA 0.016 4.187 4.170 0.001 0.000 0.296 319 I C 0.292 176.473 176.117 0.107 0.000 1.121 319 I CA 0.298 61.639 61.300 0.069 0.000 1.267 319 I CB 0.916 38.941 38.000 0.042 0.000 1.447 319 I HN 0.256 nan 8.210 nan 0.000 0.509 320 Q N 4.110 123.975 119.800 0.108 0.000 2.362 320 Q HA -0.105 4.236 4.340 0.001 0.000 0.210 320 Q C 0.534 176.616 176.000 0.137 0.000 0.924 320 Q CA 0.228 56.107 55.803 0.127 0.000 0.982 320 Q CB -0.357 28.419 28.738 0.062 0.000 1.028 320 Q HN 0.632 nan 8.270 nan 0.000 0.482 321 N N -1.053 117.728 118.700 0.136 0.000 2.204 321 N HA -0.023 4.717 4.740 0.001 0.000 0.219 321 N C -1.096 174.520 175.510 0.177 0.000 1.151 321 N CA -0.237 52.884 53.050 0.118 0.000 0.867 321 N CB 0.294 38.825 38.487 0.074 0.000 1.043 321 N HN 0.167 nan 8.380 nan 0.000 0.516 322 Y N 0.041 120.369 120.300 0.047 0.000 2.332 322 Y HA 0.587 5.137 4.550 0.001 0.000 0.325 322 Y C -1.185 174.752 175.900 0.063 0.000 1.054 322 Y CA -0.894 57.232 58.100 0.043 0.000 1.119 322 Y CB 1.709 40.186 38.460 0.028 0.000 1.168 322 Y HN 0.007 nan 8.280 nan 0.000 0.439 323 S N 4.218 119.824 115.700 -0.156 0.000 2.568 323 S HA 0.903 5.374 4.470 0.001 0.000 0.293 323 S C -1.915 172.591 174.600 -0.156 0.000 1.089 323 S CA -0.499 57.674 58.200 -0.046 0.000 0.945 323 S CB 1.369 64.560 63.200 -0.015 0.000 1.077 323 S HN 0.453 nan 8.310 nan 0.000 0.485 324 V N 4.628 124.547 119.914 0.009 0.000 2.638 324 V HA 0.517 4.637 4.120 0.001 0.000 0.306 324 V C -0.389 175.746 176.094 0.068 0.000 1.052 324 V CA -0.645 61.662 62.300 0.013 0.000 0.885 324 V CB 1.797 33.659 31.823 0.065 0.000 0.999 324 V HN 0.944 nan 8.190 nan 0.000 0.424 325 M N 3.656 123.266 119.600 0.016 0.000 2.268 325 M HA 0.554 5.034 4.480 0.001 0.000 0.344 325 M C -1.416 174.895 176.300 0.019 0.000 1.106 325 M CA -0.266 55.023 55.300 -0.019 0.000 1.010 325 M CB 1.313 33.855 32.600 -0.097 0.000 1.649 325 M HN 0.622 nan 8.290 nan 0.000 0.443 326 D N 4.929 125.330 120.400 0.002 0.000 2.248 326 D HA 0.551 5.192 4.640 0.001 0.000 0.246 326 D C -1.026 175.242 176.300 -0.053 0.000 1.027 326 D CA -0.081 53.919 54.000 0.001 0.000 0.853 326 D CB 1.919 42.746 40.800 0.045 0.000 1.243 326 D HN 0.596 nan 8.370 nan 0.000 0.462 327 I N 2.321 122.881 120.570 -0.016 0.000 2.411 327 I HA 0.287 4.458 4.170 0.001 0.000 0.284 327 I C -0.604 175.506 176.117 -0.011 0.000 1.012 327 I CA -0.617 60.665 61.300 -0.029 0.000 1.119 327 I CB 1.311 39.349 38.000 0.064 0.000 1.261 327 I HN 0.169 nan 8.210 nan 0.000 0.448 328 c N 3.793 122.375 118.600 -0.029 0.000 2.382 328 c HA 0.560 5.131 4.570 0.001 0.000 0.327 328 c C -0.280 173.951 174.090 0.234 0.000 1.250 328 c CA -0.703 55.681 56.329 0.091 0.000 1.707 328 c CB 1.024 43.587 42.510 0.089 0.000 2.272 328 c HN 0.582 nan 8.230 nan 0.000 0.506 329 D N 0.296 120.825 120.400 0.214 0.000 2.256 329 D HA 0.338 4.979 4.640 0.001 0.000 0.246 329 D C -0.658 175.597 176.300 -0.075 0.000 1.042 329 D CA -0.221 53.862 54.000 0.139 0.000 0.841 329 D CB 0.864 41.690 40.800 0.044 0.000 1.223 329 D HN 0.573 nan 8.370 nan 0.000 0.470 330 Y N 1.680 121.603 120.300 -0.629 0.000 2.425 330 Y HA 0.206 4.757 4.550 0.001 0.000 0.331 330 Y C -0.159 175.440 175.900 -0.502 0.000 1.157 330 Y CA 0.067 57.460 58.100 -1.178 0.000 1.372 330 Y CB 0.737 38.357 38.460 -1.400 0.000 1.253 330 Y HN 0.179 nan 8.280 nan 0.000 0.536 331 D N 6.003 125.723 120.400 -1.133 0.000 2.441 331 D HA 0.106 4.747 4.640 0.001 0.000 0.231 331 D C 0.363 176.077 176.300 -0.976 0.000 1.073 331 D CA -0.141 53.416 54.000 -0.739 0.000 0.850 331 D CB 0.886 41.424 40.800 -0.437 0.000 1.062 331 D HN 0.815 nan 8.370 nan 0.000 0.524 332 E N 1.468 121.296 120.200 -0.620 0.000 2.118 332 E HA -0.143 4.208 4.350 0.001 0.000 0.195 332 E C 1.535 178.017 176.600 -0.197 0.000 0.992 332 E CA 0.983 57.203 56.400 -0.300 0.000 0.804 332 E CB 0.195 29.885 29.700 -0.016 0.000 0.741 332 E HN 0.392 nan 8.360 nan 0.000 0.458 333 S N 1.221 116.811 115.700 -0.183 0.000 2.348 333 S HA -0.140 4.330 4.470 0.001 0.000 0.221 333 S C 2.309 176.842 174.600 -0.111 0.000 1.033 333 S CA 1.644 59.778 58.200 -0.111 0.000 1.010 333 S CB -0.221 62.923 63.200 -0.093 0.000 0.891 333 S HN 0.391 nan 8.310 nan 0.000 0.442 334 S N 0.330 115.933 115.700 -0.162 0.000 2.478 334 S HA 0.339 4.810 4.470 0.001 0.000 0.222 334 S C 1.612 176.139 174.600 -0.120 0.000 1.008 334 S CA 0.686 58.814 58.200 -0.120 0.000 0.928 334 S CB -0.260 62.870 63.200 -0.115 0.000 0.781 334 S HN 0.896 nan 8.310 nan 0.000 0.518 335 G N 1.794 110.443 108.800 -0.252 0.000 2.153 335 G HA2 -0.231 3.730 3.960 0.001 0.000 0.252 335 G HA3 -0.231 3.730 3.960 0.001 0.000 0.252 335 G C 0.117 174.970 174.900 -0.079 0.000 0.994 335 G CA 0.239 45.255 45.100 -0.140 0.000 0.698 335 G HN 0.536 nan 8.290 nan 0.000 0.521 336 R N -1.583 118.777 120.500 -0.232 0.000 2.797 336 R HA 0.678 5.019 4.340 0.001 0.000 0.251 336 R C -0.772 175.394 176.300 -0.223 0.000 1.107 336 R CA -0.913 55.146 56.100 -0.067 0.000 1.084 336 R CB 0.647 30.933 30.300 -0.022 0.000 1.205 336 R HN 0.173 nan 8.270 nan 0.000 0.515 337 W N 0.556 121.854 121.300 -0.004 0.000 2.471 337 W HA 0.382 5.043 4.660 0.001 0.000 0.318 337 W C -0.452 176.045 176.519 -0.035 0.000 1.034 337 W CA -0.413 56.925 57.345 -0.011 0.000 1.224 337 W CB 1.075 30.533 29.460 -0.004 0.000 1.335 337 W HN 0.406 nan 8.180 nan 0.000 0.452 338 N N 2.161 120.935 118.700 0.124 0.000 2.342 338 N HA 0.540 5.280 4.740 0.001 0.000 0.293 338 N C -1.497 174.054 175.510 0.068 0.000 1.026 338 N CA -0.586 52.502 53.050 0.063 0.000 0.857 338 N CB 1.215 39.701 38.487 -0.002 0.000 1.256 338 N HN 0.174 nan 8.380 nan 0.000 0.484 339 c N 2.775 121.401 118.600 0.042 0.000 2.258 339 c HA 0.384 4.955 4.570 0.001 0.000 0.321 339 c C 0.395 174.485 174.090 0.000 0.000 1.168 339 c CA -1.119 55.224 56.329 0.024 0.000 1.531 339 c CB -1.331 41.186 42.510 0.011 0.000 2.095 339 c HN 0.618 nan 8.230 nan 0.000 0.449 340 L N 2.428 123.652 121.223 0.002 0.000 2.499 340 L HA 0.035 4.376 4.340 0.001 0.000 0.273 340 L C 1.657 178.511 176.870 -0.027 0.000 1.195 340 L CA 0.284 55.118 54.840 -0.011 0.000 0.882 340 L CB 0.579 42.635 42.059 -0.004 0.000 1.133 340 L HN 0.635 nan 8.230 nan 0.000 0.483 341 V N 4.156 124.048 119.914 -0.036 0.000 2.490 341 V HA -0.269 3.852 4.120 0.001 0.000 0.250 341 V C 2.251 178.306 176.094 -0.066 0.000 1.061 341 V CA 2.175 64.445 62.300 -0.051 0.000 1.064 341 V CB -0.048 31.747 31.823 -0.046 0.000 0.670 341 V HN 1.006 nan 8.190 nan 0.000 0.461 342 A N -0.206 122.583 122.820 -0.052 0.000 2.125 342 A HA -0.118 4.202 4.320 0.001 0.000 0.219 342 A C 2.148 179.680 177.584 -0.087 0.000 1.156 342 A CA 1.399 53.400 52.037 -0.060 0.000 0.671 342 A CB -0.435 18.546 19.000 -0.031 0.000 0.794 342 A HN 0.635 nan 8.150 nan 0.000 0.459 343 R N -0.607 119.850 120.500 -0.072 0.000 2.427 343 R HA 0.157 4.498 4.340 0.001 0.000 0.262 343 R C 0.027 176.222 176.300 -0.175 0.000 0.943 343 R CA -0.158 55.907 56.100 -0.058 0.000 1.081 343 R CB 0.216 30.546 30.300 0.049 0.000 1.166 343 R HN 0.571 nan 8.270 nan 0.000 0.534 344 Q N 0.744 120.401 119.800 -0.238 0.000 2.293 344 Q HA 0.125 4.466 4.340 0.001 0.000 0.251 344 Q C -0.693 175.035 176.000 -0.454 0.000 0.930 344 Q CA 0.217 55.889 55.803 -0.218 0.000 0.893 344 Q CB 0.949 29.616 28.738 -0.119 0.000 1.215 344 Q HN 0.223 nan 8.270 nan 0.000 0.425 345 H N 2.981 122.044 119.070 -0.011 0.000 2.658 345 H HA 0.374 4.931 4.556 0.001 0.000 0.337 345 H C -0.639 174.654 175.328 -0.059 0.000 1.009 345 H CA -0.443 55.598 56.048 -0.011 0.000 1.231 345 H CB 0.981 30.722 29.762 -0.035 0.000 1.508 345 H HN 0.517 nan 8.280 nan 0.000 0.517 346 I N 2.090 122.669 120.570 0.014 0.000 2.428 346 I HA 0.167 4.338 4.170 0.001 0.000 0.296 346 I C 0.354 176.410 176.117 -0.103 0.000 0.985 346 I CA -0.146 61.074 61.300 -0.132 0.000 1.260 346 I CB 1.480 39.363 38.000 -0.195 0.000 1.389 346 I HN 0.471 nan 8.210 nan 0.000 0.484 347 E N 7.833 127.915 120.200 -0.195 0.000 2.241 347 E HA 0.575 4.926 4.350 0.001 0.000 0.263 347 E C -1.253 175.242 176.600 -0.176 0.000 0.882 347 E CA -0.697 55.640 56.400 -0.105 0.000 0.769 347 E CB 1.526 31.201 29.700 -0.041 0.000 1.185 347 E HN 0.600 nan 8.360 nan 0.000 0.415 348 M N 1.191 120.729 119.600 -0.103 0.000 2.667 348 M HA 0.660 5.141 4.480 0.001 0.000 0.286 348 M C -1.132 175.164 176.300 -0.006 0.000 1.270 348 M CA -0.929 54.337 55.300 -0.056 0.000 0.826 348 M CB 2.328 34.919 32.600 -0.015 0.000 1.743 348 M HN 0.243 nan 8.290 nan 0.000 0.460 349 S N -0.558 115.147 115.700 0.009 0.000 2.547 349 S HA 0.576 5.046 4.470 0.001 0.000 0.281 349 S C 0.154 174.747 174.600 -0.011 0.000 1.118 349 S CA 0.016 58.207 58.200 -0.015 0.000 0.947 349 S CB 1.789 64.951 63.200 -0.063 0.000 1.053 349 S HN 0.931 nan 8.310 nan 0.000 0.482 350 T N -0.199 114.348 114.554 -0.012 0.000 3.040 350 T HA 0.099 4.449 4.350 0.001 0.000 0.250 350 T C 1.358 176.040 174.700 -0.030 0.000 1.058 350 T CA 0.795 62.890 62.100 -0.009 0.000 0.988 350 T CB -0.250 68.619 68.868 0.002 0.000 0.993 350 T HN 0.671 nan 8.240 nan 0.000 0.519 351 T N -2.423 112.100 114.554 -0.050 0.000 2.990 351 T HA 0.630 4.980 4.350 0.001 0.000 0.250 351 T C 1.100 175.622 174.700 -0.297 0.000 1.041 351 T CA 0.363 62.432 62.100 -0.053 0.000 1.010 351 T CB 0.560 69.484 68.868 0.094 0.000 1.003 351 T HN 0.604 nan 8.240 nan 0.000 0.499 352 G N 0.484 108.950 108.800 -0.558 0.000 2.619 352 G HA2 0.462 4.423 3.960 0.001 0.000 0.146 352 G HA3 0.462 4.423 3.960 0.001 0.000 0.146 352 G C -1.647 172.987 174.900 -0.443 0.000 1.192 352 G CA -0.518 44.061 45.100 -0.868 0.000 1.063 352 G HN 0.484 nan 8.290 nan 0.000 0.538 353 W N -0.043 121.006 121.300 -0.418 0.000 2.225 353 W HA 0.760 5.421 4.660 0.001 0.000 0.377 353 W C -0.357 176.118 176.519 -0.074 0.000 1.418 353 W CA -1.282 55.947 57.345 -0.194 0.000 1.562 353 W CB 0.662 29.984 29.460 -0.229 0.000 1.297 353 W HN 0.268 nan 8.180 nan 0.000 0.686 354 V N 2.981 122.966 119.914 0.118 0.000 2.407 354 V HA 0.690 4.810 4.120 0.001 0.000 0.278 354 V C 0.779 176.940 176.094 0.111 0.000 1.037 354 V CA 0.361 62.690 62.300 0.048 0.000 0.900 354 V CB 0.007 31.860 31.823 0.050 0.000 0.983 354 V HN 1.280 nan 8.190 nan 0.000 0.459 355 G N 5.147 113.969 108.800 0.036 0.000 2.795 355 G HA2 -0.193 3.768 3.960 0.001 0.000 0.664 355 G HA3 -0.193 3.768 3.960 0.001 0.000 0.664 355 G C 0.362 175.329 174.900 0.111 0.000 1.381 355 G CA 0.218 45.361 45.100 0.072 0.000 0.853 355 G HN 0.645 nan 8.290 nan 0.000 0.545 356 R N -0.877 119.673 120.500 0.084 0.000 2.062 356 R HA 0.097 4.438 4.340 0.001 0.000 0.231 356 R C 1.977 178.152 176.300 -0.208 0.000 1.136 356 R CA 2.248 58.327 56.100 -0.034 0.000 0.948 356 R CB -0.123 30.177 30.300 -0.000 0.000 0.845 356 R HN 0.477 nan 8.270 nan 0.000 0.430 357 F N -1.028 119.058 119.950 0.227 0.000 2.834 357 F HA 0.261 4.788 4.527 0.001 0.000 0.332 357 F C 0.189 176.013 175.800 0.039 0.000 1.056 357 F CA -0.454 57.621 58.000 0.125 0.000 1.178 357 F CB 0.764 39.834 39.000 0.116 0.000 1.037 357 F HN -0.100 nan 8.300 nan 0.000 0.580 358 R N -1.509 119.109 120.500 0.197 0.000 2.765 358 R HA 0.422 4.762 4.340 0.001 0.000 0.277 358 R C -3.351 172.998 176.300 0.082 0.000 1.028 358 R CA -1.919 54.231 56.100 0.084 0.000 0.860 358 R CB 0.105 30.401 30.300 -0.006 0.000 1.270 358 R HN -0.366 nan 8.270 nan 0.000 0.484 359 P HA -0.035 nan 4.420 nan 0.000 0.265 359 P C -0.335 176.982 177.300 0.028 0.000 1.187 359 P CA 0.200 63.315 63.100 0.026 0.000 0.766 359 P CB 0.665 32.359 31.700 -0.010 0.000 0.820 360 S N 1.767 117.496 115.700 0.048 0.000 2.600 360 S HA 0.172 4.643 4.470 0.001 0.000 0.265 360 S C 0.168 174.786 174.600 0.029 0.000 1.325 360 S CA -0.739 57.505 58.200 0.074 0.000 1.002 360 S CB 0.432 63.699 63.200 0.111 0.000 0.921 360 S HN 0.523 nan 8.310 nan 0.000 0.554 361 E N 1.065 121.299 120.200 0.056 0.000 2.331 361 E HA 0.378 4.729 4.350 0.001 0.000 0.272 361 E C -2.759 173.813 176.600 -0.045 0.000 1.036 361 E CA -2.120 54.265 56.400 -0.024 0.000 0.864 361 E CB 0.325 30.018 29.700 -0.012 0.000 1.035 361 E HN 0.437 nan 8.360 nan 0.000 0.408 362 P HA 0.229 nan 4.420 nan 0.000 0.281 362 P C -0.749 176.377 177.300 -0.290 0.000 1.249 362 P CA -0.387 62.542 63.100 -0.286 0.000 0.810 362 P CB 0.850 32.016 31.700 -0.891 0.000 1.008 363 H N 1.759 120.816 119.070 -0.022 0.000 2.786 363 H HA 0.286 4.843 4.556 0.001 0.000 0.284 363 H C -0.260 175.159 175.328 0.152 0.000 1.104 363 H CA -0.334 55.792 56.048 0.131 0.000 1.339 363 H CB 0.120 30.000 29.762 0.198 0.000 1.427 363 H HN 0.307 nan 8.280 nan 0.000 0.497 364 F N 1.868 121.985 119.950 0.280 0.000 2.418 364 F HA 0.037 4.564 4.527 0.001 0.000 0.341 364 F C 1.700 177.688 175.800 0.313 0.000 1.120 364 F CA -0.290 57.891 58.000 0.301 0.000 1.232 364 F CB 0.906 40.016 39.000 0.183 0.000 1.175 364 F HN 0.356 nan 8.300 nan 0.000 0.569 365 T N 0.448 115.304 114.554 0.502 0.000 2.766 365 T HA 0.096 4.446 4.350 0.001 0.000 0.295 365 T C 1.088 175.981 174.700 0.323 0.000 1.024 365 T CA -0.833 61.500 62.100 0.389 0.000 1.018 365 T CB 0.692 69.775 68.868 0.357 0.000 1.002 365 T HN 0.518 nan 8.240 nan 0.000 0.532 366 L N 1.398 122.767 121.223 0.243 0.000 2.043 366 L HA -0.074 4.267 4.340 0.001 0.000 0.212 366 L C 1.998 178.978 176.870 0.184 0.000 1.075 366 L CA 2.362 57.319 54.840 0.195 0.000 0.752 366 L CB -1.384 40.766 42.059 0.152 0.000 0.891 366 L HN 0.953 nan 8.230 nan 0.000 0.432 367 D N -1.774 118.736 120.400 0.184 0.000 2.349 367 D HA 0.107 4.747 4.640 0.001 0.000 0.224 367 D C 1.602 178.010 176.300 0.179 0.000 1.029 367 D CA 0.749 54.845 54.000 0.161 0.000 0.879 367 D CB -0.516 40.368 40.800 0.141 0.000 0.906 367 D HN 0.408 nan 8.370 nan 0.000 0.528 368 G N 0.539 109.487 108.800 0.245 0.000 2.166 368 G HA2 -0.367 3.593 3.960 0.001 0.000 0.260 368 G HA3 -0.367 3.593 3.960 0.001 0.000 0.260 368 G C 0.950 176.042 174.900 0.320 0.000 0.986 368 G CA 0.444 45.704 45.100 0.267 0.000 0.683 368 G HN 0.369 nan 8.290 nan 0.000 0.527 369 N N 0.127 118.996 118.700 0.281 0.000 2.422 369 N HA 0.160 4.901 4.740 0.001 0.000 0.181 369 N C 1.050 176.695 175.510 0.226 0.000 1.080 369 N CA 1.185 54.372 53.050 0.228 0.000 0.893 369 N CB 0.369 38.948 38.487 0.153 0.000 0.973 369 N HN 0.901 nan 8.380 nan 0.000 0.456 370 S N -0.494 115.372 115.700 0.278 0.000 2.638 370 S HA 0.774 5.245 4.470 0.001 0.000 0.274 370 S C -0.929 173.767 174.600 0.159 0.000 1.157 370 S CA -1.000 57.238 58.200 0.063 0.000 0.826 370 S CB 1.839 64.980 63.200 -0.098 0.000 1.139 370 S HN 0.131 nan 8.310 nan 0.000 0.474 371 F N -2.011 117.770 119.950 -0.281 0.000 2.686 371 F HA 0.817 5.345 4.527 0.001 0.000 0.311 371 F C -2.188 173.433 175.800 -0.298 0.000 1.128 371 F CA -1.536 56.240 58.000 -0.374 0.000 0.946 371 F CB 0.625 38.993 39.000 -1.053 0.000 1.336 371 F HN 0.595 nan 8.300 nan 0.000 0.457 372 Y N 1.183 121.641 120.300 0.262 0.000 2.409 372 Y HA 0.693 5.243 4.550 0.001 0.000 0.339 372 Y C -0.249 175.822 175.900 0.285 0.000 1.033 372 Y CA -0.851 57.382 58.100 0.222 0.000 1.094 372 Y CB 2.178 40.715 38.460 0.130 0.000 1.210 372 Y HN 0.748 nan 8.280 nan 0.000 0.456 373 K N 2.917 123.547 120.400 0.383 0.000 2.542 373 K HA 0.533 4.854 4.320 0.001 0.000 0.259 373 K C -1.825 174.916 176.600 0.236 0.000 0.932 373 K CA -0.547 55.929 56.287 0.315 0.000 0.820 373 K CB 1.572 34.249 32.500 0.295 0.000 1.345 373 K HN 0.728 nan 8.250 nan 0.000 0.432 374 I N 6.317 126.998 120.570 0.186 0.000 2.396 374 I HA 0.292 4.463 4.170 0.001 0.000 0.289 374 I C 0.167 176.373 176.117 0.149 0.000 1.056 374 I CA -0.397 60.989 61.300 0.144 0.000 1.365 374 I CB 0.410 38.475 38.000 0.108 0.000 1.407 374 I HN 0.499 nan 8.210 nan 0.000 0.509 375 I N 1.871 122.553 120.570 0.187 0.000 2.994 375 I HA 0.472 4.643 4.170 0.001 0.000 0.306 375 I C -0.324 175.910 176.117 0.194 0.000 1.195 375 I CA -0.820 60.587 61.300 0.178 0.000 1.001 375 I CB 2.150 40.272 38.000 0.203 0.000 1.244 375 I HN 0.347 nan 8.210 nan 0.000 0.437 376 S N 2.856 118.608 115.700 0.087 0.000 2.510 376 S HA 0.223 4.693 4.470 0.001 0.000 0.279 376 S C 0.004 174.635 174.600 0.051 0.000 1.284 376 S CA -0.479 57.715 58.200 -0.010 0.000 1.059 376 S CB -0.292 62.843 63.200 -0.108 0.000 0.901 376 S HN 0.815 nan 8.310 nan 0.000 0.491 377 N N 4.093 122.712 118.700 -0.135 0.000 2.366 377 N HA 0.189 4.930 4.740 0.001 0.000 0.277 377 N C 0.722 176.121 175.510 -0.185 0.000 1.275 377 N CA -0.410 52.412 53.050 -0.379 0.000 0.964 377 N CB -0.019 37.827 38.487 -1.068 0.000 1.167 377 N HN 0.509 nan 8.380 nan 0.000 0.568 378 E N -0.554 119.538 120.200 -0.180 0.000 2.265 378 E HA -0.129 4.222 4.350 0.001 0.000 0.196 378 E C 0.488 177.029 176.600 -0.098 0.000 0.996 378 E CA 0.882 57.223 56.400 -0.098 0.000 0.832 378 E CB -0.047 29.607 29.700 -0.076 0.000 0.756 378 E HN 0.588 nan 8.360 nan 0.000 0.491 379 E N -0.546 119.589 120.200 -0.109 0.000 2.489 379 E HA 0.058 4.408 4.350 0.001 0.000 0.193 379 E C 1.116 177.673 176.600 -0.071 0.000 1.057 379 E CA 0.536 56.922 56.400 -0.025 0.000 0.866 379 E CB 0.563 30.303 29.700 0.066 0.000 0.916 379 E HN 0.347 nan 8.360 nan 0.000 0.500 380 G N 0.956 109.659 108.800 -0.163 0.000 2.141 380 G HA2 -0.284 3.677 3.960 0.001 0.000 0.242 380 G HA3 -0.284 3.677 3.960 0.001 0.000 0.242 380 G C -0.228 174.387 174.900 -0.474 0.000 0.982 380 G CA 0.067 44.973 45.100 -0.323 0.000 0.662 380 G HN 0.215 nan 8.290 nan 0.000 0.527 381 Y N 0.276 120.431 120.300 -0.240 0.000 2.342 381 Y HA 0.640 5.190 4.550 0.001 0.000 0.334 381 Y C 1.164 176.867 175.900 -0.327 0.000 1.067 381 Y CA -0.891 57.040 58.100 -0.280 0.000 1.128 381 Y CB 1.046 39.352 38.460 -0.256 0.000 1.200 381 Y HN 0.081 nan 8.280 nan 0.000 0.464 382 R N 3.674 124.011 120.500 -0.271 0.000 2.316 382 R HA 0.270 4.611 4.340 0.001 0.000 0.314 382 R C -0.721 175.262 176.300 -0.528 0.000 1.069 382 R CA -0.047 55.903 56.100 -0.251 0.000 0.959 382 R CB 0.145 30.359 30.300 -0.144 0.000 0.987 382 R HN 0.658 nan 8.270 nan 0.000 0.446 383 H N 1.597 120.632 119.070 -0.059 0.000 2.941 383 H HA 0.361 4.917 4.556 0.001 0.000 0.344 383 H C -0.173 175.216 175.328 0.101 0.000 1.235 383 H CA -0.936 55.060 56.048 -0.087 0.000 1.149 383 H CB 1.542 31.154 29.762 -0.250 0.000 1.885 383 H HN 0.313 nan 8.280 nan 0.000 0.558 384 I N 1.285 121.945 120.570 0.149 0.000 2.352 384 I HA 0.075 4.246 4.170 0.001 0.000 0.290 384 I C 0.318 176.465 176.117 0.051 0.000 1.036 384 I CA 0.021 61.365 61.300 0.074 0.000 1.336 384 I CB 0.458 38.414 38.000 -0.075 0.000 1.407 384 I HN 0.133 nan 8.210 nan 0.000 0.497 385 c N 7.074 125.623 118.600 -0.085 0.000 2.411 385 c HA 0.453 5.024 4.570 0.001 0.000 0.330 385 c C -0.469 173.454 174.090 -0.278 0.000 1.224 385 c CA -0.454 55.580 56.329 -0.492 0.000 1.770 385 c CB 1.084 43.000 42.510 -0.990 0.000 2.297 385 c HN 0.641 nan 8.230 nan 0.000 0.507 386 Y N 4.352 124.297 120.300 -0.591 0.000 2.331 386 Y HA 0.661 5.212 4.550 0.001 0.000 0.338 386 Y C -1.062 174.370 175.900 -0.779 0.000 0.976 386 Y CA -1.115 56.595 58.100 -0.650 0.000 1.137 386 Y CB 0.272 38.449 38.460 -0.472 0.000 1.172 386 Y HN 0.628 nan 8.280 nan 0.000 0.478 387 F N 3.784 122.965 119.950 -1.282 0.000 2.492 387 F HA 0.464 4.991 4.527 0.001 0.000 0.327 387 F C -0.063 174.967 175.800 -1.283 0.000 1.079 387 F CA -0.978 56.211 58.000 -1.352 0.000 0.967 387 F CB 1.511 39.319 39.000 -1.986 0.000 1.169 387 F HN 0.282 nan 8.300 nan 0.000 0.472 388 Q N 2.216 121.667 119.800 -0.582 0.000 2.256 388 Q HA 0.324 4.665 4.340 0.001 0.000 0.257 388 Q C 0.966 176.931 176.000 -0.060 0.000 0.936 388 Q CA -0.289 55.316 55.803 -0.330 0.000 0.903 388 Q CB 1.550 30.157 28.738 -0.219 0.000 1.263 388 Q HN 0.730 nan 8.270 nan 0.000 0.440 389 I N -0.792 119.844 120.570 0.110 0.000 2.454 389 I HA -0.114 4.056 4.170 0.001 0.000 0.254 389 I C 0.381 176.709 176.117 0.351 0.000 1.156 389 I CA 1.402 62.918 61.300 0.360 0.000 1.433 389 I CB 0.042 38.260 38.000 0.363 0.000 1.082 389 I HN 0.403 nan 8.210 nan 0.000 0.432 390 D N 0.544 121.047 120.400 0.171 0.000 2.670 390 D HA 0.282 4.922 4.640 0.001 0.000 0.255 390 D C -0.316 176.017 176.300 0.055 0.000 1.286 390 D CA -0.360 53.694 54.000 0.091 0.000 0.830 390 D CB 0.255 41.087 40.800 0.053 0.000 1.065 390 D HN 0.190 nan 8.370 nan 0.000 0.486 391 K N -0.084 120.378 120.400 0.104 0.000 2.443 391 K HA 0.369 4.690 4.320 0.001 0.000 0.252 391 K C 0.522 177.194 176.600 0.120 0.000 0.933 391 K CA -0.625 55.691 56.287 0.048 0.000 0.792 391 K CB 2.209 34.694 32.500 -0.025 0.000 1.185 391 K HN -0.334 nan 8.250 nan 0.000 0.425 392 K N 0.459 120.886 120.400 0.046 0.000 2.097 392 K HA 0.031 4.352 4.320 0.001 0.000 0.205 392 K C -0.290 176.340 176.600 0.051 0.000 1.050 392 K CA 1.245 57.574 56.287 0.070 0.000 0.938 392 K CB 0.139 32.644 32.500 0.009 0.000 0.718 392 K HN 0.582 nan 8.250 nan 0.000 0.442 393 D N 0.113 120.483 120.400 -0.049 0.000 2.256 393 D HA 0.090 4.731 4.640 0.001 0.000 0.250 393 D C -0.008 176.096 176.300 -0.327 0.000 1.093 393 D CA -0.293 53.616 54.000 -0.152 0.000 0.882 393 D CB 0.991 41.717 40.800 -0.124 0.000 1.185 393 D HN 0.243 nan 8.370 nan 0.000 0.437 394 c N 0.348 118.600 118.600 -0.580 0.000 2.401 394 c HA 0.815 5.386 4.570 0.001 0.000 0.356 394 c C 0.170 173.864 174.090 -0.660 0.000 1.192 394 c CA -0.600 55.158 56.329 -0.952 0.000 2.028 394 c CB 1.127 42.396 42.510 -2.069 0.000 2.344 394 c HN 0.480 nan 8.230 nan 0.000 0.525 395 T N 2.060 116.282 114.554 -0.554 0.000 2.792 395 T HA 0.481 4.832 4.350 0.001 0.000 0.280 395 T C -0.686 173.811 174.700 -0.339 0.000 0.990 395 T CA 0.119 62.040 62.100 -0.298 0.000 0.960 395 T CB 0.453 69.290 68.868 -0.052 0.000 0.939 395 T HN 0.497 nan 8.240 nan 0.000 0.439 396 F N 3.209 123.046 119.950 -0.189 0.000 2.495 396 F HA 0.257 4.784 4.527 0.001 0.000 0.365 396 F C 1.638 177.279 175.800 -0.266 0.000 1.090 396 F CA -0.820 57.053 58.000 -0.212 0.000 1.235 396 F CB 0.464 39.340 39.000 -0.206 0.000 1.119 396 F HN 0.580 nan 8.300 nan 0.000 0.562 397 I N -0.620 119.826 120.570 -0.207 0.000 3.968 397 I HA 0.225 4.396 4.170 0.001 0.000 0.328 397 I C 0.195 176.127 176.117 -0.308 0.000 1.290 397 I CA 0.131 61.083 61.300 -0.581 0.000 1.163 397 I CB 0.027 37.386 38.000 -1.068 0.000 1.024 397 I HN 0.492 nan 8.210 nan 0.000 0.413 398 T N 0.187 114.629 114.554 -0.185 0.000 2.906 398 T HA 0.705 5.056 4.350 0.001 0.000 0.295 398 T C -0.720 173.632 174.700 -0.579 0.000 1.075 398 T CA -0.717 61.267 62.100 -0.193 0.000 1.005 398 T CB 2.681 71.507 68.868 -0.070 0.000 1.136 398 T HN 0.472 nan 8.240 nan 0.000 0.498 399 K N -0.292 119.605 120.400 -0.838 0.000 2.642 399 K HA 0.749 5.069 4.320 0.001 0.000 0.290 399 K C -0.563 175.404 176.600 -1.055 0.000 1.006 399 K CA -0.974 54.485 56.287 -1.380 0.000 0.869 399 K CB 1.345 33.431 32.500 -0.691 0.000 1.499 399 K HN 1.626 nan 8.250 nan 0.000 0.403 400 G N 0.003 108.193 108.800 -1.017 0.000 2.339 400 G HA2 0.086 4.047 3.960 0.001 0.000 0.381 400 G HA3 0.086 4.047 3.960 0.001 0.000 0.381 400 G C -0.778 173.549 174.900 -0.955 0.000 1.400 400 G CA -0.375 44.297 45.100 -0.714 0.000 1.002 400 G HN 0.975 nan 8.290 nan 0.000 0.633 401 T N -0.291 113.846 114.554 -0.695 0.000 4.098 401 T HA 0.565 4.916 4.350 0.001 0.000 0.291 401 T C 0.227 174.702 174.700 -0.376 0.000 1.440 401 T CA 0.539 62.026 62.100 -1.023 0.000 1.164 401 T CB -0.942 67.612 68.868 -0.522 0.000 1.313 401 T HN 1.528 nan 8.240 nan 0.000 0.951 402 W N -0.290 120.826 121.300 -0.307 0.000 2.881 402 W HA 0.618 5.278 4.660 0.001 0.000 0.380 402 W C -1.533 174.968 176.519 -0.029 0.000 1.170 402 W CA -0.965 56.352 57.345 -0.046 0.000 1.171 402 W CB 0.587 30.016 29.460 -0.052 0.000 1.464 402 W HN 0.216 nan 8.180 nan 0.000 0.574 403 E N 0.699 121.075 120.200 0.293 0.000 2.367 403 E HA 0.454 4.805 4.350 0.001 0.000 0.273 403 E C -1.261 175.456 176.600 0.195 0.000 0.903 403 E CA -1.155 55.229 56.400 -0.027 0.000 0.764 403 E CB 3.391 33.106 29.700 0.025 0.000 1.252 403 E HN 0.160 nan 8.360 nan 0.000 0.446 404 V N 3.666 123.569 119.914 -0.018 0.000 2.488 404 V HA 0.020 4.141 4.120 0.001 0.000 0.277 404 V C 1.197 177.375 176.094 0.139 0.000 1.046 404 V CA -0.069 62.309 62.300 0.131 0.000 0.986 404 V CB 0.617 32.409 31.823 -0.053 0.000 0.989 404 V HN 0.684 nan 8.190 nan 0.000 0.475 405 I N 3.256 123.938 120.570 0.185 0.000 2.339 405 I HA 0.222 4.393 4.170 0.001 0.000 0.245 405 I C 1.139 177.360 176.117 0.175 0.000 1.096 405 I CA 1.236 62.635 61.300 0.165 0.000 1.408 405 I CB -0.853 37.187 38.000 0.066 0.000 1.092 405 I HN 0.744 nan 8.210 nan 0.000 0.423 406 G N 0.452 109.356 108.800 0.174 0.000 2.673 406 G HA2 0.561 4.522 3.960 0.001 0.000 0.292 406 G HA3 0.561 4.522 3.960 0.001 0.000 0.292 406 G C -1.301 173.679 174.900 0.135 0.000 1.450 406 G CA -0.536 44.660 45.100 0.160 0.000 0.837 406 G HN -0.041 nan 8.290 nan 0.000 0.505 407 I N 1.421 121.998 120.570 0.013 0.000 2.342 407 I HA 0.266 4.437 4.170 0.001 0.000 0.291 407 I C 0.657 176.703 176.117 -0.120 0.000 1.010 407 I CA -0.555 60.651 61.300 -0.157 0.000 1.308 407 I CB 1.807 39.434 38.000 -0.621 0.000 1.400 407 I HN 0.520 nan 8.210 nan 0.000 0.488 408 E N 4.892 125.088 120.200 -0.007 0.000 2.372 408 E HA 0.343 4.693 4.350 0.001 0.000 0.201 408 E C 0.087 176.623 176.600 -0.107 0.000 0.938 408 E CA 0.197 56.631 56.400 0.057 0.000 0.944 408 E CB 0.951 30.775 29.700 0.208 0.000 0.937 408 E HN 0.661 nan 8.360 nan 0.000 0.495 409 A N 0.696 123.357 122.820 -0.265 0.000 2.605 409 A HA 0.603 4.923 4.320 0.001 0.000 0.294 409 A C -2.008 175.499 177.584 -0.128 0.000 1.062 409 A CA -0.651 51.156 52.037 -0.383 0.000 0.682 409 A CB 1.293 19.529 19.000 -1.274 0.000 1.278 409 A HN 0.041 nan 8.150 nan 0.000 0.410 410 L N 1.357 122.553 121.223 -0.045 0.000 2.438 410 L HA 0.843 5.184 4.340 0.001 0.000 0.270 410 L C 0.108 177.014 176.870 0.059 0.000 0.972 410 L CA 0.534 55.382 54.840 0.013 0.000 0.831 410 L CB 2.134 44.229 42.059 0.060 0.000 1.273 410 L HN 1.261 nan 8.230 nan 0.000 0.405 411 T N -0.360 114.241 114.554 0.079 0.000 2.883 411 T HA 0.432 4.783 4.350 0.001 0.000 0.284 411 T C 0.950 175.688 174.700 0.063 0.000 1.041 411 T CA 0.079 62.237 62.100 0.097 0.000 1.007 411 T CB 1.173 70.133 68.868 0.153 0.000 1.220 411 T HN 0.654 nan 8.240 nan 0.000 0.552 412 S N -0.523 115.213 115.700 0.060 0.000 2.453 412 S HA -0.046 4.425 4.470 0.001 0.000 0.231 412 S C 0.886 175.462 174.600 -0.039 0.000 1.005 412 S CA 0.856 59.076 58.200 0.034 0.000 0.949 412 S CB -0.466 62.759 63.200 0.042 0.000 0.774 412 S HN 0.705 nan 8.310 nan 0.000 0.510 413 D N -0.590 119.768 120.400 -0.070 0.000 2.380 413 D HA 0.255 4.896 4.640 0.001 0.000 0.212 413 D C -0.463 175.508 176.300 -0.549 0.000 1.021 413 D CA 0.599 54.429 54.000 -0.283 0.000 0.884 413 D CB 0.315 40.948 40.800 -0.277 0.000 1.001 413 D HN 0.437 nan 8.370 nan 0.000 0.506 414 Y N -0.252 119.972 120.300 -0.126 0.000 2.553 414 Y HA 0.470 5.021 4.550 0.001 0.000 0.347 414 Y C -0.647 175.048 175.900 -0.342 0.000 1.019 414 Y CA -1.039 56.890 58.100 -0.285 0.000 1.032 414 Y CB 2.523 40.689 38.460 -0.490 0.000 1.284 414 Y HN -0.290 nan 8.280 nan 0.000 0.466 415 L N 2.501 123.582 121.223 -0.237 0.000 2.362 415 L HA 0.615 4.956 4.340 0.001 0.000 0.275 415 L C -1.879 174.833 176.870 -0.264 0.000 0.998 415 L CA -0.625 54.062 54.840 -0.255 0.000 0.820 415 L CB 1.010 42.834 42.059 -0.391 0.000 1.270 415 L HN 0.616 nan 8.230 nan 0.000 0.415 416 Y N 4.778 124.992 120.300 -0.143 0.000 2.341 416 Y HA 0.551 5.102 4.550 0.001 0.000 0.337 416 Y C -0.461 175.430 175.900 -0.015 0.000 1.014 416 Y CA -0.307 57.703 58.100 -0.151 0.000 1.111 416 Y CB 1.353 39.601 38.460 -0.353 0.000 1.194 416 Y HN 0.537 nan 8.280 nan 0.000 0.462 417 Y N 0.801 121.152 120.300 0.085 0.000 2.625 417 Y HA 0.762 5.313 4.550 0.001 0.000 0.338 417 Y C -1.850 174.129 175.900 0.132 0.000 1.123 417 Y CA -1.811 56.334 58.100 0.075 0.000 1.046 417 Y CB 1.053 39.531 38.460 0.031 0.000 1.299 417 Y HN 0.286 nan 8.280 nan 0.000 0.464 418 I N 3.144 123.872 120.570 0.262 0.000 2.392 418 I HA 0.616 4.787 4.170 0.001 0.000 0.295 418 I C -0.068 176.236 176.117 0.311 0.000 0.985 418 I CA -0.242 61.162 61.300 0.174 0.000 1.221 418 I CB 1.475 39.532 38.000 0.096 0.000 1.366 418 I HN 0.882 nan 8.210 nan 0.000 0.467 419 S N 3.855 119.708 115.700 0.256 0.000 2.638 419 S HA 0.434 4.905 4.470 0.001 0.000 0.274 419 S C -0.379 174.288 174.600 0.113 0.000 1.157 419 S CA -0.812 57.532 58.200 0.241 0.000 0.826 419 S CB 1.869 65.234 63.200 0.274 0.000 1.139 419 S HN 0.588 nan 8.310 nan 0.000 0.474 420 N N -0.096 118.667 118.700 0.105 0.000 2.320 420 N HA 0.138 4.878 4.740 0.001 0.000 0.237 420 N C 0.595 176.102 175.510 -0.006 0.000 1.129 420 N CA -0.204 52.865 53.050 0.032 0.000 0.854 420 N CB 0.238 38.731 38.487 0.009 0.000 1.083 420 N HN 0.825 nan 8.380 nan 0.000 0.504 421 E N -0.095 119.971 120.200 -0.224 0.000 2.077 421 E HA -0.211 4.139 4.350 0.001 0.000 0.193 421 E C -0.338 176.124 176.600 -0.230 0.000 0.989 421 E CA 0.325 56.352 56.400 -0.623 0.000 0.800 421 E CB -0.104 28.611 29.700 -1.643 0.000 0.746 421 E HN 0.401 nan 8.360 nan 0.000 0.452 422 Y N 2.034 122.250 120.300 -0.141 0.000 2.881 422 Y HA -0.161 4.389 4.550 0.001 0.000 0.335 422 Y C 0.461 176.326 175.900 -0.059 0.000 1.263 422 Y CA 0.978 59.042 58.100 -0.061 0.000 1.572 422 Y CB 0.071 38.522 38.460 -0.015 0.000 1.237 422 Y HN 0.092 nan 8.280 nan 0.000 0.568 423 K N 3.445 123.516 120.400 -0.548 0.000 3.104 423 K HA -0.267 4.053 4.320 0.001 0.000 0.285 423 K C 0.901 177.413 176.600 -0.147 0.000 1.136 423 K CA 0.840 56.884 56.287 -0.406 0.000 0.842 423 K CB -1.721 30.489 32.500 -0.484 0.000 1.217 423 K HN 1.271 nan 8.250 nan 0.000 0.467 424 G N 0.538 109.274 108.800 -0.106 0.000 2.203 424 G HA2 -0.335 3.626 3.960 0.001 0.000 0.263 424 G HA3 -0.335 3.626 3.960 0.001 0.000 0.263 424 G C 0.034 174.905 174.900 -0.049 0.000 1.012 424 G CA 0.841 45.927 45.100 -0.023 0.000 0.749 424 G HN 0.341 nan 8.290 nan 0.000 0.512 425 M N 0.979 120.485 119.600 -0.157 0.000 2.069 425 M HA 0.238 4.719 4.480 0.001 0.000 0.349 425 M C -0.854 175.214 176.300 -0.387 0.000 1.194 425 M CA -1.978 53.066 55.300 -0.426 0.000 1.081 425 M CB 1.498 33.911 32.600 -0.312 0.000 1.500 425 M HN -0.064 nan 8.290 nan 0.000 0.438 426 P HA -0.081 nan 4.420 nan 0.000 0.225 426 P C 1.012 178.189 177.300 -0.205 0.000 1.148 426 P CA 1.162 64.111 63.100 -0.251 0.000 0.779 426 P CB 0.127 31.705 31.700 -0.203 0.000 0.780 427 G N -0.625 107.983 108.800 -0.319 0.000 3.141 427 G HA2 0.297 4.258 3.960 0.001 0.000 0.218 427 G HA3 0.297 4.258 3.960 0.001 0.000 0.218 427 G C 0.666 175.571 174.900 0.009 0.000 1.170 427 G CA 0.093 45.127 45.100 -0.110 0.000 0.769 427 G HN 0.430 nan 8.290 nan 0.000 0.546 428 G N -0.201 108.549 108.800 -0.083 0.000 2.471 428 G HA2 0.659 4.619 3.960 0.001 0.000 0.332 428 G HA3 0.659 4.619 3.960 0.001 0.000 0.332 428 G C -0.866 173.919 174.900 -0.193 0.000 1.176 428 G CA -0.793 44.286 45.100 -0.035 0.000 0.949 428 G HN 0.089 nan 8.290 nan 0.000 0.488 429 R N 1.097 121.434 120.500 -0.272 0.000 2.533 429 R HA 0.406 4.747 4.340 0.001 0.000 0.288 429 R C -1.298 174.957 176.300 -0.075 0.000 1.039 429 R CA -0.786 55.130 56.100 -0.306 0.000 0.909 429 R CB 2.107 31.965 30.300 -0.737 0.000 1.195 429 R HN 0.597 nan 8.270 nan 0.000 0.438 430 N N 1.528 120.213 118.700 -0.025 0.000 2.357 430 N HA 0.386 5.127 4.740 0.001 0.000 0.284 430 N C -1.251 174.128 175.510 -0.218 0.000 1.236 430 N CA -0.841 52.120 53.050 -0.148 0.000 0.774 430 N CB 2.675 40.960 38.487 -0.338 0.000 1.534 430 N HN 0.255 nan 8.380 nan 0.000 0.478 431 L N 1.736 122.684 121.223 -0.458 0.000 2.289 431 L HA 0.502 4.843 4.340 0.001 0.000 0.285 431 L C -1.455 175.024 176.870 -0.652 0.000 1.049 431 L CA -0.022 54.574 54.840 -0.407 0.000 0.804 431 L CB 0.108 41.922 42.059 -0.408 0.000 1.195 431 L HN 0.424 nan 8.230 nan 0.000 0.428 432 Y N 3.162 123.106 120.300 -0.594 0.000 2.605 432 Y HA 0.641 5.192 4.550 0.001 0.000 0.343 432 Y C -0.569 174.959 175.900 -0.621 0.000 1.036 432 Y CA -0.905 56.791 58.100 -0.674 0.000 1.065 432 Y CB 1.762 39.622 38.460 -1.000 0.000 1.288 432 Y HN 0.559 nan 8.280 nan 0.000 0.481 433 K N 1.710 121.937 120.400 -0.288 0.000 2.422 433 K HA 0.780 5.101 4.320 0.001 0.000 0.251 433 K C -1.932 174.625 176.600 -0.072 0.000 0.933 433 K CA -0.758 55.299 56.287 -0.382 0.000 0.798 433 K CB 2.932 34.971 32.500 -0.767 0.000 1.238 433 K HN 0.751 nan 8.250 nan 0.000 0.428 434 I N 1.782 122.383 120.570 0.051 0.000 2.465 434 I HA 0.171 4.342 4.170 0.001 0.000 0.291 434 I C -0.822 175.388 176.117 0.155 0.000 1.014 434 I CA -0.774 60.623 61.300 0.162 0.000 1.093 434 I CB 2.108 40.218 38.000 0.184 0.000 1.267 434 I HN 0.856 nan 8.210 nan 0.000 0.431 435 Q N 6.359 126.239 119.800 0.132 0.000 2.281 435 Q HA 0.176 4.516 4.340 0.001 0.000 0.267 435 Q C 0.328 176.273 176.000 -0.093 0.000 1.053 435 Q CA -0.147 55.554 55.803 -0.170 0.000 0.905 435 Q CB 1.045 29.712 28.738 -0.118 0.000 1.195 435 Q HN 0.837 nan 8.270 nan 0.000 0.398 436 L N 2.553 123.665 121.223 -0.185 0.000 2.265 436 L HA -0.181 4.160 4.340 0.001 0.000 0.215 436 L C 2.155 178.948 176.870 -0.128 0.000 1.117 436 L CA 1.293 56.110 54.840 -0.039 0.000 0.782 436 L CB -0.368 41.627 42.059 -0.105 0.000 0.914 436 L HN 0.665 nan 8.230 nan 0.000 0.441 437 S N -2.640 112.937 115.700 -0.205 0.000 2.528 437 S HA -0.025 4.446 4.470 0.001 0.000 0.219 437 S C 0.545 174.981 174.600 -0.275 0.000 0.985 437 S CA -0.018 58.046 58.200 -0.227 0.000 0.914 437 S CB 0.113 63.209 63.200 -0.174 0.000 0.776 437 S HN 0.358 nan 8.310 nan 0.000 0.526 438 D N -0.096 120.158 120.400 -0.243 0.000 2.337 438 D HA 0.197 4.838 4.640 0.001 0.000 0.238 438 D C -0.481 175.788 176.300 -0.051 0.000 1.331 438 D CA -0.550 53.332 54.000 -0.196 0.000 0.967 438 D CB 0.168 40.907 40.800 -0.102 0.000 1.382 438 D HN -0.021 nan 8.370 nan 0.000 0.549 439 Y N 0.891 121.171 120.300 -0.034 0.000 2.556 439 Y HA -0.116 4.435 4.550 0.001 0.000 0.290 439 Y C 2.566 178.471 175.900 0.008 0.000 1.149 439 Y CA 1.455 59.546 58.100 -0.014 0.000 1.329 439 Y CB -0.993 37.459 38.460 -0.013 0.000 0.975 439 Y HN 0.417 nan 8.280 nan 0.000 0.561 440 T N -2.905 111.723 114.554 0.123 0.000 3.118 440 T HA -0.005 4.345 4.350 0.001 0.000 0.260 440 T C 0.676 175.424 174.700 0.080 0.000 1.139 440 T CA 0.143 62.295 62.100 0.087 0.000 1.085 440 T CB -0.091 68.804 68.868 0.044 0.000 0.934 440 T HN -0.090 nan 8.240 nan 0.000 0.518 441 K N 2.494 122.945 120.400 0.085 0.000 2.231 441 K HA 0.478 4.798 4.320 0.001 0.000 0.255 441 K C -1.101 175.570 176.600 0.118 0.000 1.108 441 K CA -0.270 56.068 56.287 0.085 0.000 0.997 441 K CB 1.233 33.775 32.500 0.070 0.000 1.549 441 K HN 0.182 nan 8.250 nan 0.000 0.419 442 V N 2.323 122.304 119.914 0.112 0.000 2.448 442 V HA 0.331 4.452 4.120 0.001 0.000 0.295 442 V C -0.025 176.129 176.094 0.098 0.000 1.025 442 V CA -0.638 61.740 62.300 0.131 0.000 0.859 442 V CB 1.914 33.828 31.823 0.153 0.000 0.988 442 V HN 0.534 nan 8.190 nan 0.000 0.431 443 T N 3.379 117.965 114.554 0.054 0.000 2.809 443 T HA 0.247 4.598 4.350 0.001 0.000 0.284 443 T C -0.371 174.252 174.700 -0.128 0.000 0.992 443 T CA -0.288 61.794 62.100 -0.030 0.000 0.957 443 T CB 1.222 70.038 68.868 -0.087 0.000 0.942 443 T HN 0.771 nan 8.240 nan 0.000 0.439 444 C N 4.994 124.157 119.300 -0.229 0.000 2.499 444 C HA 0.412 4.873 4.460 0.001 0.000 0.386 444 C C 1.601 176.272 174.990 -0.531 0.000 1.293 444 C CA -0.492 58.115 59.018 -0.685 0.000 1.884 444 C CB -1.651 25.602 27.740 -0.811 0.000 2.509 444 C HN 0.993 nan 8.230 nan 0.000 0.566 445 L N 4.652 125.520 121.223 -0.592 0.000 2.554 445 L HA 0.113 4.453 4.340 0.001 0.000 0.225 445 L C 2.072 178.635 176.870 -0.511 0.000 1.104 445 L CA 0.742 55.320 54.840 -0.436 0.000 0.866 445 L CB -0.169 41.667 42.059 -0.371 0.000 1.047 445 L HN 0.888 nan 8.230 nan 0.000 0.468 446 S N -3.181 112.101 115.700 -0.697 0.000 2.589 446 S HA -0.010 4.461 4.470 0.001 0.000 0.235 446 S C 1.798 176.016 174.600 -0.636 0.000 1.051 446 S CA -0.109 57.582 58.200 -0.849 0.000 0.978 446 S CB -0.298 61.996 63.200 -1.510 0.000 0.929 446 S HN 0.283 nan 8.310 nan 0.000 0.523 447 C N 2.122 121.020 119.300 -0.671 0.000 2.385 447 C HA -0.005 4.456 4.460 0.001 0.000 0.275 447 C C 2.480 177.183 174.990 -0.479 0.000 1.207 447 C CA 1.477 60.031 59.018 -0.773 0.000 1.760 447 C CB -1.088 25.921 27.740 -1.219 0.000 2.051 447 C HN 0.602 nan 8.230 nan 0.000 0.467 448 E N 0.001 120.002 120.200 -0.332 0.000 2.474 448 E HA 0.182 4.533 4.350 0.001 0.000 0.195 448 E C 1.864 178.411 176.600 -0.089 0.000 1.039 448 E CA -0.042 56.263 56.400 -0.158 0.000 0.881 448 E CB -0.262 29.366 29.700 -0.120 0.000 0.970 448 E HN 0.561 nan 8.360 nan 0.000 0.486 449 L N 0.202 121.366 121.223 -0.097 0.000 2.042 449 L HA -0.102 4.239 4.340 0.001 0.000 0.210 449 L C 0.961 177.840 176.870 0.015 0.000 1.076 449 L CA 1.001 55.825 54.840 -0.026 0.000 0.749 449 L CB -0.056 42.001 42.059 -0.002 0.000 0.893 449 L HN 0.120 nan 8.230 nan 0.000 0.432 450 N N -1.508 117.215 118.700 0.038 0.000 3.029 450 N HA 0.066 4.807 4.740 0.001 0.000 0.198 450 N C -2.080 173.452 175.510 0.037 0.000 1.444 450 N CA -0.835 52.233 53.050 0.030 0.000 0.784 450 N CB 0.671 39.172 38.487 0.023 0.000 1.539 450 N HN -0.182 nan 8.380 nan 0.000 0.582 451 P HA -0.166 nan 4.420 nan 0.000 0.217 451 P C 0.702 178.041 177.300 0.064 0.000 1.148 451 P CA 1.319 64.464 63.100 0.076 0.000 0.834 451 P CB 0.676 32.440 31.700 0.107 0.000 0.783 452 E N -0.570 119.652 120.200 0.036 0.000 2.112 452 E HA -0.096 4.255 4.350 0.001 0.000 0.190 452 E C 2.425 179.025 176.600 0.000 0.000 0.979 452 E CA 0.519 56.932 56.400 0.022 0.000 0.814 452 E CB -0.144 29.563 29.700 0.012 0.000 0.762 452 E HN 0.196 nan 8.360 nan 0.000 0.460 453 R N -0.169 120.321 120.500 -0.018 0.000 2.156 453 R HA 0.089 4.430 4.340 0.001 0.000 0.207 453 R C -0.123 176.127 176.300 -0.084 0.000 1.040 453 R CA 0.502 56.570 56.100 -0.054 0.000 1.013 453 R CB 0.458 30.717 30.300 -0.067 0.000 0.931 453 R HN 0.062 nan 8.270 nan 0.000 0.465 454 c N 1.122 119.675 118.600 -0.077 0.000 2.316 454 c HA 0.422 4.992 4.570 0.001 0.000 0.324 454 c C 0.052 174.083 174.090 -0.099 0.000 1.226 454 c CA -0.665 55.550 56.329 -0.189 0.000 1.450 454 c CB 1.296 43.641 42.510 -0.275 0.000 2.123 454 c HN 0.530 nan 8.230 nan 0.000 0.454 455 Q N 0.421 120.164 119.800 -0.095 0.000 2.113 455 Q HA 0.198 4.539 4.340 0.001 0.000 0.225 455 Q C -0.942 175.093 176.000 0.058 0.000 0.786 455 Q CA 0.119 55.948 55.803 0.042 0.000 0.989 455 Q CB 1.276 30.068 28.738 0.089 0.000 1.174 455 Q HN 0.799 nan 8.270 nan 0.000 0.470 456 Y N 0.415 120.575 120.300 -0.233 0.000 2.373 456 Y HA 0.369 4.919 4.550 0.001 0.000 0.327 456 Y C -1.642 174.090 175.900 -0.281 0.000 1.036 456 Y CA -1.043 56.959 58.100 -0.163 0.000 1.265 456 Y CB 0.743 39.127 38.460 -0.126 0.000 1.108 456 Y HN -0.085 nan 8.280 nan 0.000 0.471 457 Y N 2.255 122.501 120.300 -0.091 0.000 2.509 457 Y HA 0.691 5.242 4.550 0.001 0.000 0.341 457 Y C 0.233 176.087 175.900 -0.077 0.000 1.038 457 Y CA -0.587 57.468 58.100 -0.074 0.000 1.089 457 Y CB 2.280 40.658 38.460 -0.137 0.000 1.241 457 Y HN 0.512 nan 8.280 nan 0.000 0.468 458 S N 0.616 116.413 115.700 0.162 0.000 2.667 458 S HA 0.884 5.355 4.470 0.001 0.000 0.292 458 S C -1.579 173.091 174.600 0.116 0.000 1.126 458 S CA -0.748 57.525 58.200 0.121 0.000 0.881 458 S CB 1.852 65.135 63.200 0.138 0.000 1.132 458 S HN 0.665 nan 8.310 nan 0.000 0.492 459 V N 0.008 119.990 119.914 0.114 0.000 3.159 459 V HA 0.886 5.007 4.120 0.001 0.000 0.308 459 V C -1.393 174.788 176.094 0.146 0.000 1.190 459 V CA -0.242 62.104 62.300 0.076 0.000 1.037 459 V CB 2.279 34.075 31.823 -0.046 0.000 1.060 459 V HN 1.240 nan 8.190 nan 0.000 0.437 460 S N 3.539 119.318 115.700 0.133 0.000 2.775 460 S HA 0.654 5.124 4.470 0.001 0.000 0.277 460 S C -1.276 173.474 174.600 0.251 0.000 1.156 460 S CA -0.373 58.004 58.200 0.294 0.000 1.081 460 S CB 0.408 63.843 63.200 0.390 0.000 1.054 460 S HN 0.510 nan 8.310 nan 0.000 0.482 461 F N 3.143 123.136 119.950 0.072 0.000 2.371 461 F HA 0.450 4.977 4.527 0.001 0.000 0.329 461 F C 1.464 176.832 175.800 -0.720 0.000 1.107 461 F CA -0.149 57.728 58.000 -0.205 0.000 1.137 461 F CB 1.384 40.255 39.000 -0.214 0.000 1.214 461 F HN 0.638 nan 8.300 nan 0.000 0.536 462 S N 2.061 117.160 115.700 -1.001 0.000 2.626 462 S HA 0.155 4.626 4.470 0.001 0.000 0.257 462 S C 1.270 175.648 174.600 -0.370 0.000 1.288 462 S CA -0.780 56.606 58.200 -1.356 0.000 0.980 462 S CB 0.676 63.157 63.200 -1.199 0.000 0.975 462 S HN 0.560 nan 8.310 nan 0.000 0.577 463 K N 0.742 121.061 120.400 -0.136 0.000 2.089 463 K HA -0.115 4.206 4.320 0.001 0.000 0.210 463 K C 0.888 177.500 176.600 0.020 0.000 1.048 463 K CA 1.611 57.910 56.287 0.019 0.000 0.926 463 K CB -0.363 32.192 32.500 0.093 0.000 0.714 463 K HN 0.658 nan 8.250 nan 0.000 0.448 464 E N -1.074 119.129 120.200 0.005 0.000 2.651 464 E HA 0.221 4.571 4.350 0.001 0.000 0.208 464 E C 0.002 176.591 176.600 -0.018 0.000 0.997 464 E CA 0.096 56.505 56.400 0.015 0.000 1.020 464 E CB 0.733 30.458 29.700 0.041 0.000 1.052 464 E HN 0.233 nan 8.360 nan 0.000 0.465 465 A N 1.224 124.015 122.820 -0.047 0.000 2.847 465 A HA -0.323 3.997 4.320 0.001 0.000 0.263 465 A C 1.531 179.107 177.584 -0.013 0.000 1.391 465 A CA 1.730 53.753 52.037 -0.023 0.000 0.866 465 A CB -2.068 16.808 19.000 -0.206 0.000 1.057 465 A HN 0.285 nan 8.150 nan 0.000 0.673 466 K N -1.766 118.573 120.400 -0.103 0.000 2.155 466 K HA 0.093 4.414 4.320 0.001 0.000 0.203 466 K C 0.145 176.407 176.600 -0.563 0.000 1.052 466 K CA 1.506 57.612 56.287 -0.301 0.000 0.948 466 K CB -0.025 32.281 32.500 -0.323 0.000 0.728 466 K HN 0.673 nan 8.250 nan 0.000 0.448 467 Y N -1.027 119.224 120.300 -0.082 0.000 2.581 467 Y HA 0.332 4.883 4.550 0.001 0.000 0.345 467 Y C -1.069 174.734 175.900 -0.161 0.000 1.036 467 Y CA -1.347 56.689 58.100 -0.107 0.000 1.042 467 Y CB 1.725 40.157 38.460 -0.047 0.000 1.289 467 Y HN -0.033 nan 8.280 nan 0.000 0.471 468 Y N -0.977 119.281 120.300 -0.070 0.000 2.513 468 Y HA 0.528 5.078 4.550 0.001 0.000 0.340 468 Y C -1.189 174.711 175.900 0.000 0.000 1.055 468 Y CA -1.474 56.416 58.100 -0.349 0.000 1.020 468 Y CB 1.478 39.178 38.460 -1.266 0.000 1.301 468 Y HN 0.596 nan 8.280 nan 0.000 0.453 469 Q N 4.012 123.937 119.800 0.210 0.000 2.290 469 Q HA 0.549 4.890 4.340 0.001 0.000 0.259 469 Q C -1.755 174.328 176.000 0.139 0.000 0.941 469 Q CA -0.663 55.239 55.803 0.165 0.000 0.912 469 Q CB 1.313 30.133 28.738 0.137 0.000 1.244 469 Q HN 0.979 nan 8.270 nan 0.000 0.441 470 L N 4.125 125.438 121.223 0.151 0.000 2.309 470 L HA 0.542 4.883 4.340 0.001 0.000 0.282 470 L C -0.082 176.849 176.870 0.101 0.000 1.036 470 L CA -0.533 54.380 54.840 0.121 0.000 0.806 470 L CB 1.498 43.594 42.059 0.061 0.000 1.220 470 L HN 0.599 nan 8.230 nan 0.000 0.429 471 R N 3.378 123.914 120.500 0.059 0.000 2.371 471 R HA 0.312 4.653 4.340 0.001 0.000 0.312 471 R C -1.068 175.094 176.300 -0.230 0.000 0.980 471 R CA -0.503 55.448 56.100 -0.249 0.000 0.867 471 R CB 1.287 31.481 30.300 -0.177 0.000 1.163 471 R HN 0.741 nan 8.270 nan 0.000 0.492 472 c N 4.082 122.441 118.600 -0.403 0.000 2.347 472 c HA 0.401 4.972 4.570 0.001 0.000 0.353 472 c C 1.381 175.244 174.090 -0.377 0.000 1.273 472 c CA -0.196 55.789 56.329 -0.574 0.000 1.861 472 c CB 0.449 42.580 42.510 -0.631 0.000 2.420 472 c HN 0.925 nan 8.230 nan 0.000 0.542 473 S N 3.798 119.358 115.700 -0.234 0.000 2.578 473 S HA 0.600 5.071 4.470 0.001 0.000 0.231 473 S C 0.448 174.991 174.600 -0.096 0.000 0.994 473 S CA 0.249 58.368 58.200 -0.135 0.000 0.956 473 S CB -0.040 63.109 63.200 -0.085 0.000 0.870 473 S HN 1.962 nan 8.310 nan 0.000 0.494 474 G N 1.737 110.466 108.800 -0.118 0.000 2.321 474 G HA2 0.371 4.332 3.960 0.001 0.000 0.298 474 G HA3 0.371 4.332 3.960 0.001 0.000 0.298 474 G C -3.015 171.850 174.900 -0.057 0.000 1.385 474 G CA -0.464 44.608 45.100 -0.047 0.000 0.856 474 G HN -0.124 nan 8.290 nan 0.000 0.584 475 P HA 0.127 nan 4.420 nan 0.000 0.233 475 P C 1.241 178.564 177.300 0.039 0.000 1.167 475 P CA 1.326 64.447 63.100 0.035 0.000 0.770 475 P CB 0.409 32.129 31.700 0.033 0.000 0.837 476 G N 0.351 109.110 108.800 -0.069 0.000 2.510 476 G HA2 0.431 4.392 3.960 0.001 0.000 0.280 476 G HA3 0.431 4.392 3.960 0.001 0.000 0.280 476 G C -0.304 174.372 174.900 -0.374 0.000 1.386 476 G CA -0.760 44.230 45.100 -0.184 0.000 1.047 476 G HN 0.036 nan 8.290 nan 0.000 0.527 477 L N 1.143 122.067 121.223 -0.497 0.000 2.426 477 L HA 0.189 4.530 4.340 0.001 0.000 0.271 477 L C -1.889 174.819 176.870 -0.271 0.000 1.169 477 L CA -1.367 53.135 54.840 -0.564 0.000 0.836 477 L CB 0.734 42.528 42.059 -0.442 0.000 1.112 477 L HN 0.232 nan 8.230 nan 0.000 0.465 478 P HA -0.030 nan 4.420 nan 0.000 0.263 478 P C -0.912 176.333 177.300 -0.092 0.000 1.175 478 P CA 0.141 63.170 63.100 -0.118 0.000 0.761 478 P CB 0.442 32.169 31.700 0.045 0.000 0.794 479 L N 5.527 126.618 121.223 -0.221 0.000 2.409 479 L HA 0.488 4.829 4.340 0.001 0.000 0.272 479 L C -1.725 175.017 176.870 -0.213 0.000 0.980 479 L CA -0.743 54.032 54.840 -0.108 0.000 0.826 479 L CB 0.977 42.981 42.059 -0.093 0.000 1.268 479 L HN 0.213 nan 8.230 nan 0.000 0.407 480 Y N 2.823 123.087 120.300 -0.060 0.000 2.335 480 Y HA 0.743 5.293 4.550 0.001 0.000 0.338 480 Y C 0.467 176.275 175.900 -0.154 0.000 0.977 480 Y CA -0.512 57.538 58.100 -0.083 0.000 1.114 480 Y CB 2.065 40.452 38.460 -0.122 0.000 1.182 480 Y HN 0.685 nan 8.280 nan 0.000 0.463 481 T N 0.774 115.346 114.554 0.029 0.000 2.906 481 T HA 0.724 5.075 4.350 0.001 0.000 0.295 481 T C -1.542 173.095 174.700 -0.105 0.000 1.075 481 T CA -0.898 61.158 62.100 -0.074 0.000 1.005 481 T CB 2.032 70.908 68.868 0.014 0.000 1.136 481 T HN 0.374 nan 8.240 nan 0.000 0.498 482 L N 1.683 122.717 121.223 -0.316 0.000 2.346 482 L HA 0.621 4.962 4.340 0.001 0.000 0.276 482 L C -0.799 175.726 176.870 -0.575 0.000 1.006 482 L CA -0.338 54.348 54.840 -0.257 0.000 0.817 482 L CB 1.241 43.188 42.059 -0.188 0.000 1.272 482 L HN 0.839 nan 8.230 nan 0.000 0.421 483 H N 1.402 120.232 119.070 -0.400 0.000 2.865 483 H HA 0.597 5.154 4.556 0.001 0.000 0.372 483 H C -0.962 174.110 175.328 -0.426 0.000 1.173 483 H CA -0.864 54.834 56.048 -0.582 0.000 1.147 483 H CB 2.106 31.129 29.762 -1.230 0.000 1.805 483 H HN 0.579 nan 8.280 nan 0.000 0.553 484 S N 0.221 115.837 115.700 -0.141 0.000 2.454 484 S HA 0.226 4.697 4.470 0.001 0.000 0.306 484 S C 0.594 175.167 174.600 -0.045 0.000 1.100 484 S CA -0.744 57.404 58.200 -0.087 0.000 1.087 484 S CB 1.866 65.054 63.200 -0.019 0.000 1.019 484 S HN 0.563 nan 8.310 nan 0.000 0.480 485 S N 1.989 117.683 115.700 -0.009 0.000 2.428 485 S HA -0.093 4.378 4.470 0.001 0.000 0.230 485 S C 1.885 176.530 174.600 0.075 0.000 1.014 485 S CA 0.821 59.119 58.200 0.162 0.000 0.957 485 S CB -0.384 62.901 63.200 0.142 0.000 0.784 485 S HN 0.693 nan 8.310 nan 0.000 0.499 486 V N 2.547 122.458 119.914 -0.006 0.000 2.332 486 V HA -0.128 3.993 4.120 0.001 0.000 0.248 486 V C 0.794 176.902 176.094 0.022 0.000 1.055 486 V CA 1.743 64.050 62.300 0.011 0.000 1.038 486 V CB -0.235 31.579 31.823 -0.015 0.000 0.651 486 V HN 0.473 nan 8.190 nan 0.000 0.450 487 N N -0.675 118.035 118.700 0.016 0.000 2.240 487 N HA 0.127 4.867 4.740 0.001 0.000 0.240 487 N C -0.467 175.056 175.510 0.022 0.000 1.277 487 N CA 0.387 53.445 53.050 0.014 0.000 0.873 487 N CB 0.476 38.969 38.487 0.011 0.000 1.222 487 N HN 0.462 nan 8.380 nan 0.000 0.507 488 D N 1.257 121.689 120.400 0.054 0.000 2.686 488 D HA -0.177 4.464 4.640 0.001 0.000 0.235 488 D C -0.125 176.212 176.300 0.062 0.000 1.160 488 D CA 1.121 55.181 54.000 0.100 0.000 0.645 488 D CB -0.758 40.094 40.800 0.086 0.000 1.039 488 D HN 0.370 nan 8.370 nan 0.000 0.423 489 K N 0.051 120.463 120.400 0.020 0.000 2.237 489 K HA 0.355 4.676 4.320 0.001 0.000 0.270 489 K C 1.078 177.649 176.600 -0.048 0.000 1.015 489 K CA -0.045 56.238 56.287 -0.007 0.000 0.949 489 K CB 0.974 33.462 32.500 -0.019 0.000 0.976 489 K HN 0.146 nan 8.250 nan 0.000 0.472 490 G N 3.297 112.047 108.800 -0.083 0.000 2.546 490 G HA2 0.190 4.151 3.960 0.001 0.000 0.320 490 G HA3 0.190 4.151 3.960 0.001 0.000 0.320 490 G C 0.879 175.621 174.900 -0.263 0.000 0.984 490 G CA -0.399 44.536 45.100 -0.275 0.000 1.183 490 G HN 0.545 nan 8.290 nan 0.000 0.443 491 L N 1.488 122.525 121.223 -0.310 0.000 1.961 491 L HA 0.142 4.482 4.340 0.001 0.000 0.210 491 L C 1.773 178.537 176.870 -0.177 0.000 1.072 491 L CA 1.239 55.967 54.840 -0.186 0.000 0.749 491 L CB -0.276 41.696 42.059 -0.146 0.000 0.889 491 L HN 0.676 nan 8.230 nan 0.000 0.432 492 R N -1.858 118.500 120.500 -0.237 0.000 2.728 492 R HA 0.480 4.820 4.340 0.001 0.000 0.274 492 R C -1.657 174.509 176.300 -0.223 0.000 1.030 492 R CA -0.885 55.103 56.100 -0.187 0.000 0.876 492 R CB 1.582 31.801 30.300 -0.135 0.000 1.259 492 R HN -0.243 nan 8.270 nan 0.000 0.468 493 V N 2.917 122.726 119.914 -0.174 0.000 2.432 493 V HA 0.195 4.316 4.120 0.001 0.000 0.275 493 V C 1.192 177.142 176.094 -0.240 0.000 1.043 493 V CA -0.405 61.792 62.300 -0.170 0.000 0.925 493 V CB 1.214 32.972 31.823 -0.107 0.000 0.985 493 V HN 0.656 nan 8.190 nan 0.000 0.466 494 L N 2.705 123.715 121.223 -0.356 0.000 2.253 494 L HA 0.311 4.652 4.340 0.001 0.000 0.205 494 L C 0.674 177.245 176.870 -0.499 0.000 1.078 494 L CA 0.638 55.064 54.840 -0.690 0.000 0.805 494 L CB 0.238 41.502 42.059 -1.325 0.000 0.963 494 L HN 0.682 nan 8.230 nan 0.000 0.459 495 E N -0.011 120.048 120.200 -0.236 0.000 2.343 495 E HA 0.094 4.445 4.350 0.001 0.000 0.288 495 E C -1.260 175.376 176.600 0.060 0.000 0.907 495 E CA -0.372 55.995 56.400 -0.054 0.000 0.792 495 E CB 1.059 30.731 29.700 -0.047 0.000 1.275 495 E HN 0.162 nan 8.360 nan 0.000 0.402 496 D N 3.073 123.489 120.400 0.028 0.000 2.469 496 D HA 0.153 4.794 4.640 0.001 0.000 0.215 496 D C -0.260 176.048 176.300 0.013 0.000 1.154 496 D CA -0.286 53.727 54.000 0.020 0.000 0.832 496 D CB -0.054 40.738 40.800 -0.013 0.000 1.008 496 D HN 0.449 nan 8.370 nan 0.000 0.506 497 N N 0.505 119.227 118.700 0.036 0.000 2.708 497 N HA -0.224 4.517 4.740 0.001 0.000 0.249 497 N C 0.915 176.426 175.510 0.001 0.000 1.097 497 N CA 0.953 54.018 53.050 0.025 0.000 0.710 497 N CB -1.222 37.271 38.487 0.011 0.000 1.032 497 N HN 0.506 nan 8.380 nan 0.000 0.551 498 S N -1.318 114.383 115.700 0.003 0.000 2.419 498 S HA -0.012 4.459 4.470 0.001 0.000 0.233 498 S C 2.073 176.681 174.600 0.013 0.000 1.016 498 S CA 0.861 59.060 58.200 -0.002 0.000 0.974 498 S CB -0.037 63.161 63.200 -0.002 0.000 0.786 498 S HN 0.507 nan 8.310 nan 0.000 0.492 499 A N 2.133 124.970 122.820 0.029 0.000 1.877 499 A HA 0.081 4.402 4.320 0.001 0.000 0.216 499 A C 2.207 179.827 177.584 0.060 0.000 1.186 499 A CA 1.532 53.596 52.037 0.045 0.000 0.620 499 A CB -0.936 18.095 19.000 0.052 0.000 0.822 499 A HN 0.502 nan 8.150 nan 0.000 0.443 500 L N 0.527 121.788 121.223 0.063 0.000 2.046 500 L HA -0.176 4.165 4.340 0.001 0.000 0.208 500 L C 1.931 178.824 176.870 0.038 0.000 1.077 500 L CA 2.838 57.729 54.840 0.085 0.000 0.747 500 L CB -0.843 41.264 42.059 0.080 0.000 0.896 500 L HN 0.528 nan 8.230 nan 0.000 0.432 501 D N -0.624 119.772 120.400 -0.007 0.000 2.123 501 D HA -0.295 4.346 4.640 0.001 0.000 0.196 501 D C 2.273 178.569 176.300 -0.008 0.000 0.992 501 D CA 1.750 55.729 54.000 -0.036 0.000 0.833 501 D CB -0.120 40.650 40.800 -0.049 0.000 0.954 501 D HN 0.391 nan 8.370 nan 0.000 0.455 502 K N -0.585 119.824 120.400 0.015 0.000 2.057 502 K HA -0.145 4.176 4.320 0.001 0.000 0.207 502 K C 2.191 178.820 176.600 0.048 0.000 1.049 502 K CA 1.110 57.414 56.287 0.028 0.000 0.931 502 K CB -0.097 32.424 32.500 0.035 0.000 0.714 502 K HN 0.226 nan 8.250 nan 0.000 0.440 503 M N 0.658 120.306 119.600 0.080 0.000 2.132 503 M HA -0.131 4.350 4.480 0.001 0.000 0.263 503 M C 2.021 178.356 176.300 0.058 0.000 1.065 503 M CA 1.376 56.759 55.300 0.139 0.000 1.122 503 M CB -0.138 32.628 32.600 0.276 0.000 1.365 503 M HN 0.151 nan 8.290 nan 0.000 0.411 504 L N -0.265 120.938 121.223 -0.032 0.000 2.362 504 L HA -0.190 4.150 4.340 0.001 0.000 0.219 504 L C 2.263 179.095 176.870 -0.064 0.000 1.134 504 L CA 0.859 55.618 54.840 -0.134 0.000 0.807 504 L CB -0.645 41.338 42.059 -0.126 0.000 0.927 504 L HN 0.419 nan 8.230 nan 0.000 0.447 505 Q N 0.124 119.912 119.800 -0.019 0.000 2.226 505 Q HA -0.134 4.207 4.340 0.001 0.000 0.204 505 Q C 1.088 177.096 176.000 0.013 0.000 0.975 505 Q CA 1.016 56.817 55.803 -0.003 0.000 0.866 505 Q CB -0.024 28.719 28.738 0.008 0.000 0.915 505 Q HN 0.565 nan 8.270 nan 0.000 0.440 506 N N -0.084 118.633 118.700 0.028 0.000 2.313 506 N HA 0.073 4.813 4.740 0.001 0.000 0.207 506 N C -0.738 174.806 175.510 0.056 0.000 1.141 506 N CA 0.241 53.323 53.050 0.052 0.000 0.830 506 N CB 1.080 39.614 38.487 0.078 0.000 1.008 506 N HN -0.047 nan 8.380 nan 0.000 0.481 507 V N 0.895 120.819 119.914 0.016 0.000 2.735 507 V HA 0.214 4.335 4.120 0.001 0.000 0.310 507 V C 0.021 176.121 176.094 0.011 0.000 1.061 507 V CA -0.880 61.432 62.300 0.020 0.000 0.913 507 V CB 2.639 34.422 31.823 -0.066 0.000 1.005 507 V HN -0.002 nan 8.190 nan 0.000 0.428 508 Q N 4.143 123.967 119.800 0.041 0.000 2.534 508 Q HA 0.351 4.692 4.340 0.001 0.000 0.223 508 Q C -0.454 175.533 176.000 -0.022 0.000 1.239 508 Q CA -0.191 55.615 55.803 0.004 0.000 0.936 508 Q CB 0.431 29.200 28.738 0.050 0.000 1.457 508 Q HN 0.533 nan 8.270 nan 0.000 0.547 509 M N 3.379 122.945 119.600 -0.058 0.000 2.255 509 M HA 0.346 4.827 4.480 0.001 0.000 0.336 509 M C -1.949 174.289 176.300 -0.103 0.000 1.135 509 M CA -2.182 53.073 55.300 -0.075 0.000 1.145 509 M CB 0.013 32.567 32.600 -0.076 0.000 1.473 509 M HN 0.280 nan 8.290 nan 0.000 0.462 510 P HA 0.253 nan 4.420 nan 0.000 0.276 510 P C -0.837 176.384 177.300 -0.131 0.000 1.261 510 P CA -0.349 62.669 63.100 -0.136 0.000 0.800 510 P CB 0.708 32.316 31.700 -0.153 0.000 1.066 511 S N -0.603 115.007 115.700 -0.151 0.000 2.704 511 S HA 0.639 5.110 4.470 0.001 0.000 0.305 511 S C -0.562 173.947 174.600 -0.152 0.000 1.107 511 S CA -0.784 57.339 58.200 -0.129 0.000 0.993 511 S CB 1.819 64.941 63.200 -0.129 0.000 1.110 511 S HN 0.506 nan 8.310 nan 0.000 0.534 512 K N 0.444 120.777 120.400 -0.112 0.000 2.397 512 K HA 0.432 4.753 4.320 0.001 0.000 0.253 512 K C -1.358 175.188 176.600 -0.090 0.000 0.932 512 K CA -0.555 55.670 56.287 -0.104 0.000 0.795 512 K CB 1.432 33.892 32.500 -0.066 0.000 1.159 512 K HN 0.735 nan 8.250 nan 0.000 0.424 513 K N 5.222 125.561 120.400 -0.101 0.000 2.323 513 K HA 0.334 4.655 4.320 0.001 0.000 0.259 513 K C -1.674 174.897 176.600 -0.049 0.000 0.947 513 K CA -0.824 55.414 56.287 -0.082 0.000 0.819 513 K CB 1.103 33.526 32.500 -0.127 0.000 1.109 513 K HN 0.470 nan 8.250 nan 0.000 0.429 514 L N 4.119 125.330 121.223 -0.020 0.000 2.325 514 L HA 0.549 4.890 4.340 0.001 0.000 0.281 514 L C -1.156 175.719 176.870 0.009 0.000 1.004 514 L CA 0.182 55.041 54.840 0.031 0.000 0.823 514 L CB 1.401 43.542 42.059 0.137 0.000 1.236 514 L HN 0.857 nan 8.230 nan 0.000 0.415 515 D N 2.620 122.859 120.400 -0.269 0.000 2.838 515 D HA 0.461 5.101 4.640 0.001 0.000 0.334 515 D C -1.666 174.253 176.300 -0.636 0.000 1.315 515 D CA -0.071 53.665 54.000 -0.439 0.000 0.917 515 D CB 1.899 42.389 40.800 -0.516 0.000 1.435 515 D HN 0.244 nan 8.370 nan 0.000 0.517 516 F N 0.024 119.609 119.950 -0.608 0.000 2.629 516 F HA 0.725 5.252 4.527 0.001 0.000 0.316 516 F C -0.729 175.132 175.800 0.103 0.000 1.081 516 F CA -1.020 56.747 58.000 -0.389 0.000 0.954 516 F CB 0.950 39.315 39.000 -1.058 0.000 1.337 516 F HN 0.245 nan 8.300 nan 0.000 0.474 517 I N 0.027 120.878 120.570 0.468 0.000 2.892 517 I HA 0.688 4.859 4.170 0.001 0.000 0.306 517 I C -1.344 175.026 176.117 0.421 0.000 1.078 517 I CA -1.233 60.274 61.300 0.346 0.000 1.032 517 I CB 2.457 40.614 38.000 0.262 0.000 1.229 517 I HN 0.636 nan 8.210 nan 0.000 0.435 518 I N 4.356 125.105 120.570 0.298 0.000 2.377 518 I HA 0.442 4.613 4.170 0.001 0.000 0.293 518 I C -0.806 175.459 176.117 0.248 0.000 0.987 518 I CA -0.601 60.864 61.300 0.274 0.000 1.185 518 I CB 1.816 39.934 38.000 0.198 0.000 1.341 518 I HN 0.368 nan 8.210 nan 0.000 0.455 519 L N 6.314 127.737 121.223 0.334 0.000 2.406 519 L HA 0.395 4.736 4.340 0.001 0.000 0.270 519 L C -0.409 176.602 176.870 0.236 0.000 0.982 519 L CA -0.672 54.331 54.840 0.271 0.000 0.843 519 L CB 1.360 43.599 42.059 0.300 0.000 1.225 519 L HN 0.620 nan 8.230 nan 0.000 0.412 520 N N 2.536 121.311 118.700 0.125 0.000 2.708 520 N HA -0.212 4.528 4.740 0.001 0.000 0.255 520 N C 0.267 175.821 175.510 0.073 0.000 1.046 520 N CA 1.133 54.233 53.050 0.083 0.000 0.715 520 N CB -0.588 37.941 38.487 0.069 0.000 0.895 520 N HN 0.787 nan 8.380 nan 0.000 0.545 521 E N -3.293 116.945 120.200 0.063 0.000 3.547 521 E HA -0.232 4.119 4.350 0.001 0.000 0.300 521 E C -0.534 176.071 176.600 0.008 0.000 0.857 521 E CA 1.839 58.259 56.400 0.034 0.000 1.039 521 E CB -1.282 28.429 29.700 0.017 0.000 1.524 521 E HN 0.585 nan 8.360 nan 0.000 0.457 522 T N 0.687 115.256 114.554 0.026 0.000 2.841 522 T HA 0.427 4.778 4.350 0.001 0.000 0.283 522 T C -0.279 174.311 174.700 -0.183 0.000 1.000 522 T CA -1.041 60.986 62.100 -0.122 0.000 0.977 522 T CB 1.291 70.044 68.868 -0.192 0.000 0.979 522 T HN 0.124 nan 8.240 nan 0.000 0.446 523 K N 2.358 122.571 120.400 -0.312 0.000 2.174 523 K HA 0.613 4.934 4.320 0.001 0.000 0.275 523 K C -1.247 175.092 176.600 -0.435 0.000 1.015 523 K CA -0.526 55.608 56.287 -0.254 0.000 0.933 523 K CB 0.874 33.064 32.500 -0.516 0.000 1.025 523 K HN 0.387 nan 8.250 nan 0.000 0.463 524 F N 1.103 121.147 119.950 0.157 0.000 2.547 524 F HA 0.321 4.849 4.527 0.001 0.000 0.316 524 F C -0.847 175.120 175.800 0.279 0.000 1.121 524 F CA -0.804 57.321 58.000 0.208 0.000 0.911 524 F CB 1.264 40.400 39.000 0.227 0.000 1.179 524 F HN 0.517 nan 8.300 nan 0.000 0.443 525 W N 3.386 124.882 121.300 0.327 0.000 2.303 525 W HA 0.533 5.193 4.660 0.001 0.000 0.334 525 W C -0.639 176.133 176.519 0.422 0.000 1.197 525 W CA -0.634 56.911 57.345 0.334 0.000 1.262 525 W CB 0.600 30.170 29.460 0.183 0.000 1.153 525 W HN 0.429 nan 8.180 nan 0.000 0.596 526 Y N -0.512 120.166 120.300 0.630 0.000 2.615 526 Y HA 0.663 5.214 4.550 0.001 0.000 0.341 526 Y C -0.980 175.154 175.900 0.390 0.000 1.089 526 Y CA -1.909 56.539 58.100 0.580 0.000 1.049 526 Y CB 1.091 40.032 38.460 0.802 0.000 1.296 526 Y HN 0.574 nan 8.280 nan 0.000 0.470 527 Q N 2.151 122.213 119.800 0.436 0.000 2.423 527 Q HA 0.774 5.114 4.340 0.001 0.000 0.278 527 Q C -1.754 174.379 176.000 0.222 0.000 1.097 527 Q CA -1.200 54.734 55.803 0.218 0.000 0.809 527 Q CB 3.376 32.200 28.738 0.143 0.000 1.391 527 Q HN 0.859 nan 8.270 nan 0.000 0.428 528 M N 2.238 121.885 119.600 0.078 0.000 2.263 528 M HA 0.421 4.902 4.480 0.001 0.000 0.295 528 M C -1.330 174.897 176.300 -0.122 0.000 1.028 528 M CA -0.922 54.352 55.300 -0.045 0.000 0.921 528 M CB 2.180 34.705 32.600 -0.125 0.000 1.601 528 M HN 0.601 nan 8.290 nan 0.000 0.440 529 I N 5.136 125.631 120.570 -0.125 0.000 2.301 529 I HA 0.346 4.516 4.170 0.001 0.000 0.292 529 I C -0.379 175.593 176.117 -0.243 0.000 1.046 529 I CA -0.253 60.951 61.300 -0.161 0.000 1.282 529 I CB 0.262 38.187 38.000 -0.125 0.000 1.409 529 I HN 0.628 nan 8.210 nan 0.000 0.484 530 L N 8.464 129.493 121.223 -0.324 0.000 2.309 530 L HA 0.458 4.799 4.340 0.001 0.000 0.282 530 L C -2.164 174.524 176.870 -0.304 0.000 1.036 530 L CA -1.816 52.740 54.840 -0.472 0.000 0.806 530 L CB 1.178 42.766 42.059 -0.785 0.000 1.220 530 L HN 0.274 nan 8.230 nan 0.000 0.429 531 P HA 0.073 nan 4.420 nan 0.000 0.269 531 P C -2.500 174.769 177.300 -0.051 0.000 1.217 531 P CA -0.850 62.193 63.100 -0.094 0.000 0.783 531 P CB -0.174 31.532 31.700 0.009 0.000 0.898 532 P HA -0.012 nan 4.420 nan 0.000 0.268 532 P C -0.344 176.908 177.300 -0.081 0.000 1.205 532 P CA 0.741 63.736 63.100 -0.175 0.000 0.771 532 P CB -0.134 31.450 31.700 -0.193 0.000 0.858 533 H N -0.748 118.364 119.070 0.068 0.000 2.839 533 H HA -0.200 4.357 4.556 0.001 0.000 0.298 533 H C 0.049 175.444 175.328 0.112 0.000 1.224 533 H CA -0.064 56.029 56.048 0.074 0.000 1.144 533 H CB -2.230 27.567 29.762 0.058 0.000 1.372 533 H HN 0.402 nan 8.280 nan 0.000 0.408 534 F N 2.592 122.542 119.950 -0.001 0.000 2.604 534 F HA 0.066 4.594 4.527 0.001 0.000 0.393 534 F C 0.635 176.454 175.800 0.032 0.000 1.043 534 F CA 0.079 58.036 58.000 -0.071 0.000 1.227 534 F CB 0.441 39.285 39.000 -0.260 0.000 1.016 534 F HN 0.142 nan 8.300 nan 0.000 0.556 535 D N 6.334 126.452 120.400 -0.471 0.000 2.460 535 D HA 0.127 4.768 4.640 0.001 0.000 0.232 535 D C 0.683 176.629 176.300 -0.591 0.000 1.079 535 D CA -0.527 53.251 54.000 -0.371 0.000 0.864 535 D CB 0.921 41.655 40.800 -0.111 0.000 1.048 535 D HN 0.680 nan 8.370 nan 0.000 0.523 536 K N 0.809 120.841 120.400 -0.613 0.000 2.520 536 K HA -0.132 4.188 4.320 0.001 0.000 0.197 536 K C 1.159 177.730 176.600 -0.049 0.000 1.043 536 K CA 0.996 57.085 56.287 -0.331 0.000 0.944 536 K CB -0.133 32.316 32.500 -0.086 0.000 0.770 536 K HN 0.200 nan 8.250 nan 0.000 0.480 537 S N -0.168 115.480 115.700 -0.087 0.000 2.556 537 S HA 0.123 4.594 4.470 0.001 0.000 0.216 537 S C 0.175 174.743 174.600 -0.053 0.000 0.970 537 S CA -0.632 57.544 58.200 -0.039 0.000 0.912 537 S CB 0.079 63.251 63.200 -0.047 0.000 0.790 537 S HN 0.181 nan 8.310 nan 0.000 0.504 538 K N 1.005 121.358 120.400 -0.079 0.000 2.238 538 K HA 0.485 4.806 4.320 0.001 0.000 0.239 538 K C -0.796 175.736 176.600 -0.113 0.000 0.987 538 K CA -0.966 55.221 56.287 -0.166 0.000 0.857 538 K CB 0.872 33.168 32.500 -0.341 0.000 1.154 538 K HN -0.040 nan 8.250 nan 0.000 0.439 539 K N 2.078 122.362 120.400 -0.193 0.000 2.240 539 K HA 0.300 4.621 4.320 0.001 0.000 0.271 539 K C -0.874 175.607 176.600 -0.198 0.000 1.018 539 K CA -0.323 55.912 56.287 -0.086 0.000 0.874 539 K CB 0.660 33.106 32.500 -0.090 0.000 1.098 539 K HN 0.485 nan 8.250 nan 0.000 0.458 540 Y N 2.903 123.226 120.300 0.038 0.000 2.446 540 Y HA 0.298 4.849 4.550 0.001 0.000 0.338 540 Y C -1.764 174.068 175.900 -0.112 0.000 1.055 540 Y CA -2.210 55.890 58.100 0.001 0.000 1.101 540 Y CB 1.438 39.974 38.460 0.126 0.000 1.221 540 Y HN 0.454 nan 8.280 nan 0.000 0.460 541 P HA 0.182 nan 4.420 nan 0.000 0.274 541 P C -1.181 175.972 177.300 -0.244 0.000 1.237 541 P CA -0.242 62.561 63.100 -0.494 0.000 0.793 541 P CB 1.717 32.697 31.700 -1.201 0.000 0.977 542 L N 1.924 123.046 121.223 -0.170 0.000 2.410 542 L HA 0.525 4.866 4.340 0.001 0.000 0.270 542 L C -1.307 175.745 176.870 0.303 0.000 0.983 542 L CA -1.179 53.709 54.840 0.079 0.000 0.822 542 L CB 1.868 43.974 42.059 0.079 0.000 1.285 542 L HN 0.159 nan 8.230 nan 0.000 0.409 543 L N 5.367 126.784 121.223 0.324 0.000 2.298 543 L HA 0.506 4.847 4.340 0.001 0.000 0.284 543 L C -1.277 175.822 176.870 0.381 0.000 1.013 543 L CA -0.320 54.767 54.840 0.410 0.000 0.824 543 L CB 1.554 43.812 42.059 0.331 0.000 1.221 543 L HN 0.625 nan 8.230 nan 0.000 0.418 544 L N 5.085 126.576 121.223 0.447 0.000 2.278 544 L HA 0.390 4.731 4.340 0.001 0.000 0.287 544 L C -0.550 176.557 176.870 0.395 0.000 1.072 544 L CA 0.262 55.353 54.840 0.418 0.000 0.819 544 L CB 0.546 42.889 42.059 0.474 0.000 1.176 544 L HN 0.665 nan 8.230 nan 0.000 0.435 545 D N 4.513 125.118 120.400 0.343 0.000 2.347 545 D HA 0.281 4.922 4.640 0.001 0.000 0.235 545 D C -1.040 175.333 176.300 0.122 0.000 1.149 545 D CA 0.037 54.160 54.000 0.206 0.000 0.850 545 D CB 1.282 42.271 40.800 0.315 0.000 1.061 545 D HN 0.333 nan 8.370 nan 0.000 0.487 546 V N 5.419 125.333 119.914 0.001 0.000 2.769 546 V HA 0.461 4.582 4.120 0.001 0.000 0.312 546 V C -0.969 175.209 176.094 0.140 0.000 1.061 546 V CA -0.458 61.910 62.300 0.112 0.000 0.931 546 V CB 1.860 33.755 31.823 0.122 0.000 1.010 546 V HN 0.686 nan 8.190 nan 0.000 0.433 547 Y N 4.791 125.157 120.300 0.109 0.000 3.183 547 Y HA 0.553 5.104 4.550 0.001 0.000 0.200 547 Y C 1.534 177.580 175.900 0.242 0.000 0.912 547 Y CA 1.015 59.208 58.100 0.156 0.000 1.642 547 Y CB 0.355 38.886 38.460 0.119 0.000 1.447 547 Y HN 0.995 nan 8.280 nan 0.000 0.421 548 A N 1.020 123.963 122.820 0.205 0.000 2.887 548 A HA -0.165 4.156 4.320 0.001 0.000 0.257 548 A C 0.820 178.278 177.584 -0.210 0.000 1.372 548 A CA 0.854 52.948 52.037 0.095 0.000 0.879 548 A CB -2.478 16.628 19.000 0.178 0.000 1.082 548 A HN 0.918 nan 8.150 nan 0.000 0.703 549 G N -0.496 107.947 108.800 -0.595 0.000 2.651 549 G HA2 0.494 4.455 3.960 0.001 0.000 0.260 549 G HA3 0.494 4.455 3.960 0.001 0.000 0.260 549 G C -1.895 172.693 174.900 -0.519 0.000 1.216 549 G CA -0.605 43.729 45.100 -1.277 0.000 0.913 549 G HN 0.406 nan 8.290 nan 0.000 0.535 550 P HA 0.046 nan 4.420 nan 0.000 0.267 550 P C 0.594 177.790 177.300 -0.174 0.000 1.205 550 P CA 0.176 63.016 63.100 -0.433 0.000 0.765 550 P CB 0.844 31.914 31.700 -1.050 0.000 0.828 551 C N 2.192 121.441 119.300 -0.085 0.000 4.417 551 C HA -0.146 4.315 4.460 0.001 0.000 0.284 551 C C 1.082 176.107 174.990 0.058 0.000 1.379 551 C CA 1.184 60.122 59.018 -0.134 0.000 1.918 551 C CB -2.631 24.892 27.740 -0.361 0.000 1.280 551 C HN 0.825 nan 8.230 nan 0.000 0.783 552 S N -0.023 115.768 115.700 0.152 0.000 2.669 552 S HA 0.612 5.083 4.470 0.001 0.000 0.270 552 S C -0.639 174.127 174.600 0.276 0.000 1.225 552 S CA 0.085 58.461 58.200 0.293 0.000 0.991 552 S CB 1.684 65.123 63.200 0.397 0.000 0.987 552 S HN 0.820 nan 8.310 nan 0.000 0.552 553 Q N -0.104 119.884 119.800 0.313 0.000 2.309 553 Q HA 0.359 4.699 4.340 0.001 0.000 0.254 553 Q C -0.835 175.296 176.000 0.218 0.000 0.938 553 Q CA -0.584 55.393 55.803 0.290 0.000 0.789 553 Q CB 1.093 30.064 28.738 0.388 0.000 1.313 553 Q HN 0.687 nan 8.270 nan 0.000 0.438 554 K N 1.059 121.582 120.400 0.206 0.000 2.374 554 K HA 0.353 4.673 4.320 0.001 0.000 0.202 554 K C -0.527 176.183 176.600 0.182 0.000 1.040 554 K CA 0.275 56.673 56.287 0.185 0.000 1.085 554 K CB 1.604 34.236 32.500 0.221 0.000 0.873 554 K HN 0.505 nan 8.250 nan 0.000 0.539 555 A N 2.676 125.614 122.820 0.196 0.000 2.277 555 A HA 0.458 4.779 4.320 0.001 0.000 0.318 555 A C -0.808 176.854 177.584 0.130 0.000 1.339 555 A CA -0.517 51.641 52.037 0.201 0.000 0.875 555 A CB 0.242 19.426 19.000 0.306 0.000 1.158 555 A HN 0.234 nan 8.150 nan 0.000 0.514 556 D N -0.048 120.401 120.400 0.083 0.000 2.752 556 D HA 0.414 5.055 4.640 0.001 0.000 0.313 556 D C 0.357 176.670 176.300 0.021 0.000 1.225 556 D CA 0.284 54.316 54.000 0.054 0.000 0.976 556 D CB 0.310 41.141 40.800 0.052 0.000 1.443 556 D HN 0.180 nan 8.370 nan 0.000 0.515 557 T N -2.215 112.364 114.554 0.040 0.000 3.206 557 T HA 0.331 4.682 4.350 0.001 0.000 0.253 557 T C 0.388 175.048 174.700 -0.067 0.000 1.042 557 T CA -0.393 61.722 62.100 0.025 0.000 0.931 557 T CB -0.731 68.193 68.868 0.093 0.000 1.029 557 T HN 0.276 nan 8.240 nan 0.000 0.564 558 V N 2.552 122.331 119.914 -0.225 0.000 2.614 558 V HA 0.333 4.453 4.120 0.001 0.000 0.291 558 V C 0.098 176.131 176.094 -0.101 0.000 1.049 558 V CA -1.019 61.111 62.300 -0.284 0.000 1.038 558 V CB 0.068 31.612 31.823 -0.465 0.000 0.980 558 V HN 0.562 nan 8.190 nan 0.000 0.481 559 F N 6.419 126.272 119.950 -0.162 0.000 2.438 559 F HA 0.574 5.101 4.527 0.001 0.000 0.356 559 F C 0.488 176.231 175.800 -0.094 0.000 1.099 559 F CA -0.156 57.776 58.000 -0.113 0.000 1.185 559 F CB 0.280 39.222 39.000 -0.098 0.000 1.115 559 F HN 0.440 nan 8.300 nan 0.000 0.526 560 R N 6.372 126.394 120.500 -0.797 0.000 2.725 560 R HA 0.571 4.911 4.340 0.001 0.000 0.277 560 R C -1.678 174.216 176.300 -0.678 0.000 0.987 560 R CA -1.107 54.677 56.100 -0.525 0.000 0.901 560 R CB 2.196 32.344 30.300 -0.253 0.000 1.207 560 R HN 0.659 nan 8.270 nan 0.000 0.463 561 L N 3.836 124.853 121.223 -0.344 0.000 2.324 561 L HA 0.419 4.760 4.340 0.001 0.000 0.274 561 L C -0.764 176.106 176.870 -0.000 0.000 1.012 561 L CA -0.645 54.043 54.840 -0.253 0.000 0.859 561 L CB 0.759 42.808 42.059 -0.016 0.000 1.224 561 L HN 0.784 nan 8.230 nan 0.000 0.429 562 N N 0.303 118.938 118.700 -0.109 0.000 3.506 562 N HA 0.160 4.900 4.740 0.001 0.000 0.331 562 N C 0.170 175.388 175.510 -0.487 0.000 1.631 562 N CA -0.868 52.037 53.050 -0.242 0.000 0.786 562 N CB 0.154 38.591 38.487 -0.082 0.000 2.023 562 N HN 0.288 nan 8.380 nan 0.000 0.621 563 W N 0.682 121.397 121.300 -0.975 0.000 2.338 563 W HA 0.121 4.781 4.660 0.001 0.000 0.304 563 W C 2.070 178.541 176.519 -0.079 0.000 1.212 563 W CA 2.943 59.948 57.345 -0.566 0.000 1.264 563 W CB -1.026 28.234 29.460 -0.332 0.000 1.142 563 W HN 0.707 nan 8.180 nan 0.000 0.512 564 A N -0.644 122.164 122.820 -0.020 0.000 1.972 564 A HA -0.202 4.119 4.320 0.001 0.000 0.219 564 A C 1.943 179.433 177.584 -0.156 0.000 1.169 564 A CA 2.443 54.404 52.037 -0.126 0.000 0.635 564 A CB -1.262 17.745 19.000 0.011 0.000 0.810 564 A HN 0.296 nan 8.150 nan 0.000 0.446 565 T N -1.180 113.299 114.554 -0.125 0.000 2.684 565 T HA -0.208 4.143 4.350 0.001 0.000 0.267 565 T C 1.814 176.545 174.700 0.052 0.000 1.036 565 T CA 1.762 63.766 62.100 -0.160 0.000 1.148 565 T CB -0.482 68.120 68.868 -0.443 0.000 0.863 565 T HN 0.696 nan 8.240 nan 0.000 0.436 566 Y N 2.043 122.435 120.300 0.155 0.000 2.200 566 Y HA -0.005 4.546 4.550 0.001 0.000 0.290 566 Y C 1.939 177.831 175.900 -0.013 0.000 1.137 566 Y CA 0.880 59.101 58.100 0.201 0.000 1.163 566 Y CB -0.764 37.801 38.460 0.175 0.000 0.988 566 Y HN 0.119 nan 8.280 nan 0.000 0.518 567 L N 0.232 121.019 121.223 -0.727 0.000 2.042 567 L HA -0.212 4.128 4.340 0.001 0.000 0.210 567 L C 2.815 179.431 176.870 -0.422 0.000 1.076 567 L CA 1.356 55.710 54.840 -0.809 0.000 0.749 567 L CB -0.970 40.662 42.059 -0.712 0.000 0.893 567 L HN 0.413 nan 8.230 nan 0.000 0.432 568 A N -1.259 121.400 122.820 -0.269 0.000 1.874 568 A HA -0.167 4.154 4.320 0.001 0.000 0.214 568 A C 2.514 180.035 177.584 -0.104 0.000 1.189 568 A CA 1.655 53.595 52.037 -0.162 0.000 0.615 568 A CB -0.623 18.283 19.000 -0.158 0.000 0.830 568 A HN 0.314 nan 8.150 nan 0.000 0.443 569 S N -1.079 114.578 115.700 -0.072 0.000 2.356 569 S HA -0.123 4.348 4.470 0.001 0.000 0.223 569 S C 1.998 176.618 174.600 0.034 0.000 1.032 569 S CA 2.320 60.527 58.200 0.012 0.000 1.005 569 S CB -0.384 62.884 63.200 0.113 0.000 0.867 569 S HN 0.585 nan 8.310 nan 0.000 0.449 570 T N 1.156 115.706 114.554 -0.007 0.000 2.983 570 T HA 0.174 4.525 4.350 0.001 0.000 0.250 570 T C 1.355 176.029 174.700 -0.045 0.000 1.037 570 T CA 0.531 62.645 62.100 0.024 0.000 1.142 570 T CB -0.082 68.880 68.868 0.157 0.000 0.876 570 T HN 0.309 nan 8.240 nan 0.000 0.455 571 E N 1.298 121.380 120.200 -0.196 0.000 2.479 571 E HA 0.165 4.516 4.350 0.001 0.000 0.193 571 E C -0.028 176.559 176.600 -0.022 0.000 1.049 571 E CA -0.080 56.250 56.400 -0.115 0.000 0.870 571 E CB -0.343 29.230 29.700 -0.211 0.000 0.944 571 E HN 0.542 nan 8.360 nan 0.000 0.492 572 N N 0.595 119.295 118.700 0.000 0.000 2.740 572 N HA -0.193 4.548 4.740 0.001 0.000 0.248 572 N C -0.828 174.774 175.510 0.152 0.000 1.062 572 N CA 0.202 53.322 53.050 0.117 0.000 0.704 572 N CB -1.182 37.414 38.487 0.182 0.000 0.968 572 N HN 0.197 nan 8.380 nan 0.000 0.547 573 I N 0.883 121.470 120.570 0.028 0.000 2.412 573 I HA 0.368 4.539 4.170 0.001 0.000 0.296 573 I C 0.526 176.629 176.117 -0.024 0.000 0.987 573 I CA -0.831 60.490 61.300 0.036 0.000 1.180 573 I CB 1.412 39.437 38.000 0.043 0.000 1.340 573 I HN 0.027 nan 8.210 nan 0.000 0.455 574 I N 6.355 126.919 120.570 -0.009 0.000 2.371 574 I HA 0.179 4.350 4.170 0.001 0.000 0.290 574 I C -0.445 175.658 176.117 -0.023 0.000 1.028 574 I CA -0.449 60.802 61.300 -0.082 0.000 1.345 574 I CB 1.055 39.009 38.000 -0.076 0.000 1.407 574 I HN 0.180 nan 8.210 nan 0.000 0.501 575 V N 6.747 126.634 119.914 -0.044 0.000 2.328 575 V HA 0.596 4.717 4.120 0.001 0.000 0.278 575 V C 0.378 176.499 176.094 0.045 0.000 1.021 575 V CA -0.437 61.886 62.300 0.039 0.000 0.838 575 V CB 1.128 32.971 31.823 0.033 0.000 0.999 575 V HN 0.842 nan 8.190 nan 0.000 0.447 576 A N 4.090 126.965 122.820 0.092 0.000 2.330 576 A HA 0.950 5.271 4.320 0.001 0.000 0.329 576 A C -0.126 177.608 177.584 0.250 0.000 1.135 576 A CA -0.500 51.590 52.037 0.088 0.000 0.817 576 A CB 1.606 20.523 19.000 -0.138 0.000 1.269 576 A HN 0.695 nan 8.150 nan 0.000 0.469 577 S N -0.290 115.606 115.700 0.325 0.000 2.546 577 S HA 0.720 5.191 4.470 0.001 0.000 0.274 577 S C -1.491 173.456 174.600 0.579 0.000 1.121 577 S CA -0.313 58.124 58.200 0.394 0.000 0.887 577 S CB 1.325 64.699 63.200 0.290 0.000 1.094 577 S HN 0.803 nan 8.310 nan 0.000 0.474 578 F N 1.781 121.963 119.950 0.388 0.000 2.569 578 F HA 0.526 5.054 4.527 0.001 0.000 0.312 578 F C -1.554 174.455 175.800 0.347 0.000 1.109 578 F CA -0.790 57.468 58.000 0.431 0.000 0.919 578 F CB 1.542 40.780 39.000 0.396 0.000 1.211 578 F HN 0.389 nan 8.300 nan 0.000 0.446 579 D N 4.299 124.479 120.400 -0.367 0.000 2.454 579 D HA 0.391 5.032 4.640 0.001 0.000 0.225 579 D C 0.323 176.294 176.300 -0.549 0.000 1.081 579 D CA 0.133 53.985 54.000 -0.247 0.000 0.864 579 D CB 1.463 42.299 40.800 0.060 0.000 1.040 579 D HN 0.782 nan 8.370 nan 0.000 0.517 580 G N 1.331 109.877 108.800 -0.424 0.000 2.782 580 G HA2 0.302 4.263 3.960 0.001 0.000 0.201 580 G HA3 0.302 4.263 3.960 0.001 0.000 0.201 580 G C 0.134 175.020 174.900 -0.023 0.000 1.374 580 G CA -0.684 44.208 45.100 -0.348 0.000 1.039 580 G HN 0.283 nan 8.290 nan 0.000 0.576 581 R N -0.693 119.768 120.500 -0.065 0.000 2.623 581 R HA 0.376 4.717 4.340 0.001 0.000 0.271 581 R C 1.239 177.620 176.300 0.134 0.000 1.043 581 R CA 1.438 57.607 56.100 0.115 0.000 1.083 581 R CB 0.521 30.867 30.300 0.077 0.000 0.974 581 R HN 1.048 nan 8.270 nan 0.000 0.436 582 G N 1.043 109.925 108.800 0.137 0.000 2.234 582 G HA2 -0.333 3.628 3.960 0.001 0.000 0.235 582 G HA3 -0.333 3.628 3.960 0.001 0.000 0.235 582 G C 0.162 175.092 174.900 0.050 0.000 0.997 582 G CA 0.199 45.360 45.100 0.102 0.000 0.623 582 G HN 0.733 nan 8.290 nan 0.000 0.514 583 S N 0.452 116.192 115.700 0.067 0.000 2.600 583 S HA 0.644 5.115 4.470 0.001 0.000 0.265 583 S C 0.937 175.525 174.600 -0.021 0.000 1.325 583 S CA 0.539 58.770 58.200 0.053 0.000 1.002 583 S CB 1.690 64.950 63.200 0.099 0.000 0.921 583 S HN 1.671 nan 8.310 nan 0.000 0.554 584 G N -0.696 108.047 108.800 -0.095 0.000 2.557 584 G HA2 0.478 4.438 3.960 0.001 0.000 0.302 584 G HA3 0.478 4.438 3.960 0.001 0.000 0.302 584 G C -0.872 173.844 174.900 -0.306 0.000 1.311 584 G CA -0.973 43.883 45.100 -0.407 0.000 1.030 584 G HN 0.973 nan 8.290 nan 0.000 0.509 585 Y N -2.388 117.916 120.300 0.006 0.000 4.604 585 Y HA -0.224 4.327 4.550 0.001 0.000 0.230 585 Y C 1.396 177.303 175.900 0.011 0.000 1.066 585 Y CA 1.155 59.261 58.100 0.010 0.000 1.990 585 Y CB -2.205 36.278 38.460 0.039 0.000 1.619 585 Y HN 0.537 nan 8.280 nan 0.000 0.649 586 Q N -0.138 119.671 119.800 0.016 0.000 2.086 586 Q HA 0.511 4.852 4.340 0.001 0.000 0.220 586 Q C 0.903 176.789 176.000 -0.190 0.000 0.792 586 Q CA 0.204 56.029 55.803 0.037 0.000 1.062 586 Q CB 1.686 30.445 28.738 0.036 0.000 1.198 586 Q HN 0.588 nan 8.270 nan 0.000 0.466 587 G N 0.727 109.281 108.800 -0.409 0.000 2.629 587 G HA2 -0.171 3.790 3.960 0.001 0.000 0.686 587 G HA3 -0.171 3.790 3.960 0.001 0.000 0.686 587 G C -0.544 173.985 174.900 -0.619 0.000 1.232 587 G CA -0.599 43.993 45.100 -0.845 0.000 0.803 587 G HN 0.086 nan 8.290 nan 0.000 0.638 588 D N 0.130 120.121 120.400 -0.683 0.000 2.219 588 D HA -0.057 4.583 4.640 0.001 0.000 0.205 588 D C 2.260 178.284 176.300 -0.460 0.000 0.970 588 D CA 1.418 54.970 54.000 -0.747 0.000 0.851 588 D CB 0.058 40.348 40.800 -0.851 0.000 0.943 588 D HN 0.509 nan 8.370 nan 0.000 0.488 589 K N 1.041 121.225 120.400 -0.360 0.000 2.063 589 K HA -0.096 4.225 4.320 0.001 0.000 0.208 589 K C 1.867 178.397 176.600 -0.116 0.000 1.048 589 K CA 1.088 57.258 56.287 -0.194 0.000 0.928 589 K CB -0.460 31.936 32.500 -0.175 0.000 0.713 589 K HN 0.165 nan 8.250 nan 0.000 0.442 590 I N -0.341 120.146 120.570 -0.138 0.000 2.339 590 I HA -0.118 4.053 4.170 0.001 0.000 0.245 590 I C 2.572 178.686 176.117 -0.004 0.000 1.096 590 I CA 1.038 62.332 61.300 -0.011 0.000 1.408 590 I CB -0.158 37.846 38.000 0.007 0.000 1.092 590 I HN 0.247 nan 8.210 nan 0.000 0.423 591 M N 0.101 119.627 119.600 -0.124 0.000 2.117 591 M HA -0.238 4.243 4.480 0.001 0.000 0.262 591 M C 1.876 178.227 176.300 0.084 0.000 1.065 591 M CA 2.010 57.267 55.300 -0.072 0.000 1.114 591 M CB -0.302 32.158 32.600 -0.233 0.000 1.361 591 M HN 0.268 nan 8.290 nan 0.000 0.408 592 H N -0.770 118.205 119.070 -0.158 0.000 2.547 592 H HA 0.181 4.738 4.556 0.001 0.000 0.266 592 H C 1.831 177.180 175.328 0.035 0.000 0.988 592 H CA 0.087 56.049 56.048 -0.143 0.000 1.147 592 H CB 0.156 29.736 29.762 -0.303 0.000 1.365 592 H HN 0.527 nan 8.280 nan 0.000 0.589 593 A N 1.549 124.481 122.820 0.187 0.000 2.024 593 A HA -0.134 4.186 4.320 0.001 0.000 0.220 593 A C 2.041 179.841 177.584 0.361 0.000 1.164 593 A CA 1.083 53.259 52.037 0.231 0.000 0.643 593 A CB -0.656 18.446 19.000 0.170 0.000 0.806 593 A HN 0.581 nan 8.150 nan 0.000 0.451 594 I N -3.125 117.619 120.570 0.291 0.000 3.861 594 I HA 0.160 4.331 4.170 0.001 0.000 0.329 594 I C 0.380 176.578 176.117 0.135 0.000 1.321 594 I CA -0.473 60.944 61.300 0.194 0.000 1.126 594 I CB -0.596 37.486 38.000 0.136 0.000 1.018 594 I HN 0.205 nan 8.210 nan 0.000 0.407 595 N N 2.966 121.790 118.700 0.206 0.000 2.412 595 N HA -0.049 4.691 4.740 0.001 0.000 0.258 595 N C 0.217 175.751 175.510 0.041 0.000 1.236 595 N CA 0.244 53.412 53.050 0.197 0.000 0.882 595 N CB 0.359 38.920 38.487 0.123 0.000 1.066 595 N HN 0.394 nan 8.380 nan 0.000 0.465 596 R N 0.579 121.086 120.500 0.011 0.000 4.000 596 R HA -0.197 4.144 4.340 0.001 0.000 0.362 596 R C -0.301 175.880 176.300 -0.199 0.000 1.183 596 R CA 0.877 56.941 56.100 -0.059 0.000 1.011 596 R CB -0.862 29.417 30.300 -0.034 0.000 1.501 596 R HN 0.570 nan 8.270 nan 0.000 0.553 597 R N 0.633 121.001 120.500 -0.219 0.000 2.711 597 R HA 0.347 4.688 4.340 0.001 0.000 0.350 597 R C -0.424 175.826 176.300 -0.083 0.000 1.146 597 R CA -0.203 55.635 56.100 -0.437 0.000 1.190 597 R CB 0.528 30.538 30.300 -0.482 0.000 1.312 597 R HN 0.075 nan 8.270 nan 0.000 0.635 598 L N -0.379 120.866 121.223 0.037 0.000 2.483 598 L HA 0.198 4.539 4.340 0.001 0.000 0.275 598 L C 1.320 178.421 176.870 0.384 0.000 1.220 598 L CA 0.975 55.879 54.840 0.106 0.000 0.833 598 L CB 0.441 42.339 42.059 -0.268 0.000 1.102 598 L HN 0.693 nan 8.230 nan 0.000 0.490 599 G N 0.759 109.824 108.800 0.441 0.000 2.143 599 G HA2 -0.288 3.673 3.960 0.001 0.000 0.248 599 G HA3 -0.288 3.673 3.960 0.001 0.000 0.248 599 G C 0.443 175.430 174.900 0.145 0.000 0.991 599 G CA 0.588 45.893 45.100 0.342 0.000 0.689 599 G HN 0.861 nan 8.290 nan 0.000 0.522 600 T N -3.636 110.963 114.554 0.076 0.000 3.257 600 T HA 0.469 4.820 4.350 0.001 0.000 0.176 600 T C 1.646 176.344 174.700 -0.004 0.000 0.892 600 T CA 0.903 62.959 62.100 -0.074 0.000 1.147 600 T CB -0.046 68.599 68.868 -0.372 0.000 1.840 600 T HN 0.142 nan 8.240 nan 0.000 0.375 601 F N 3.497 123.484 119.950 0.061 0.000 2.161 601 F HA 0.055 4.583 4.527 0.001 0.000 0.300 601 F C 2.819 178.647 175.800 0.047 0.000 1.089 601 F CA 1.239 59.263 58.000 0.040 0.000 1.282 601 F CB -0.733 38.286 39.000 0.032 0.000 1.010 601 F HN 0.531 nan 8.300 nan 0.000 0.485 602 E N 0.792 121.143 120.200 0.251 0.000 2.150 602 E HA -0.127 4.224 4.350 0.001 0.000 0.193 602 E C 2.116 178.816 176.600 0.167 0.000 0.985 602 E CA 1.521 58.040 56.400 0.199 0.000 0.814 602 E CB -1.031 28.791 29.700 0.205 0.000 0.752 602 E HN 0.295 nan 8.360 nan 0.000 0.466 603 V N 1.714 121.703 119.914 0.124 0.000 2.323 603 V HA -0.206 3.915 4.120 0.001 0.000 0.244 603 V C 2.344 178.475 176.094 0.062 0.000 1.041 603 V CA 2.117 64.447 62.300 0.049 0.000 1.025 603 V CB -0.599 31.204 31.823 -0.034 0.000 0.656 603 V HN 0.214 nan 8.190 nan 0.000 0.451 604 E N 0.212 120.465 120.200 0.089 0.000 2.085 604 E HA -0.246 4.105 4.350 0.001 0.000 0.194 604 E C 1.921 178.560 176.600 0.064 0.000 0.994 604 E CA 1.561 58.011 56.400 0.084 0.000 0.801 604 E CB -0.217 29.565 29.700 0.136 0.000 0.743 604 E HN 0.572 nan 8.360 nan 0.000 0.453 605 D N 0.337 120.794 120.400 0.094 0.000 2.178 605 D HA -0.134 4.507 4.640 0.001 0.000 0.201 605 D C 1.983 178.331 176.300 0.080 0.000 0.980 605 D CA 0.767 54.816 54.000 0.082 0.000 0.842 605 D CB -0.100 40.779 40.800 0.131 0.000 0.948 605 D HN 0.115 nan 8.370 nan 0.000 0.472 606 Q N 0.121 120.011 119.800 0.149 0.000 2.079 606 Q HA -0.032 4.309 4.340 0.001 0.000 0.200 606 Q C 2.579 178.628 176.000 0.081 0.000 0.974 606 Q CA 0.534 56.428 55.803 0.152 0.000 0.840 606 Q CB -0.150 28.688 28.738 0.168 0.000 0.898 606 Q HN 0.419 nan 8.270 nan 0.000 0.430 607 I N 0.823 121.453 120.570 0.100 0.000 2.226 607 I HA -0.269 3.902 4.170 0.001 0.000 0.245 607 I C 2.423 178.507 176.117 -0.054 0.000 1.100 607 I CA 1.250 62.643 61.300 0.154 0.000 1.374 607 I CB -0.234 37.845 38.000 0.131 0.000 1.057 607 I HN 0.153 nan 8.210 nan 0.000 0.413 608 E N 1.528 121.648 120.200 -0.134 0.000 2.110 608 E HA -0.215 4.136 4.350 0.001 0.000 0.193 608 E C 2.086 178.404 176.600 -0.471 0.000 0.988 608 E CA 1.733 57.988 56.400 -0.242 0.000 0.804 608 E CB -0.178 29.403 29.700 -0.199 0.000 0.745 608 E HN 0.427 nan 8.360 nan 0.000 0.458 609 A N 0.780 123.175 122.820 -0.709 0.000 1.877 609 A HA -0.019 4.302 4.320 0.001 0.000 0.216 609 A C 2.472 179.318 177.584 -1.230 0.000 1.186 609 A CA 2.137 53.410 52.037 -1.274 0.000 0.620 609 A CB -1.096 16.911 19.000 -1.654 0.000 0.822 609 A HN 0.396 nan 8.150 nan 0.000 0.443 610 A N -0.369 122.118 122.820 -0.554 0.000 1.902 610 A HA -0.174 4.147 4.320 0.001 0.000 0.217 610 A C 2.251 179.633 177.584 -0.338 0.000 1.181 610 A CA 1.763 53.639 52.037 -0.268 0.000 0.623 610 A CB -0.524 18.422 19.000 -0.091 0.000 0.818 610 A HN 0.560 nan 8.150 nan 0.000 0.443 611 R N -0.441 119.854 120.500 -0.342 0.000 2.091 611 R HA -0.187 4.153 4.340 0.001 0.000 0.238 611 R C 2.354 178.486 176.300 -0.280 0.000 1.136 611 R CA 1.881 57.816 56.100 -0.275 0.000 0.959 611 R CB -0.291 29.878 30.300 -0.219 0.000 0.856 611 R HN 0.690 nan 8.270 nan 0.000 0.437 612 Q N -0.611 118.952 119.800 -0.396 0.000 2.046 612 Q HA -0.152 4.189 4.340 0.001 0.000 0.200 612 Q C 2.047 177.895 176.000 -0.253 0.000 0.975 612 Q CA 1.355 56.947 55.803 -0.352 0.000 0.836 612 Q CB -0.160 28.307 28.738 -0.451 0.000 0.896 612 Q HN 0.328 nan 8.270 nan 0.000 0.428 613 F N 1.368 121.152 119.950 -0.276 0.000 2.161 613 F HA -0.178 4.350 4.527 0.001 0.000 0.300 613 F C 2.763 178.397 175.800 -0.277 0.000 1.089 613 F CA 1.343 59.172 58.000 -0.285 0.000 1.282 613 F CB -1.244 37.616 39.000 -0.233 0.000 1.010 613 F HN 0.095 nan 8.300 nan 0.000 0.485 614 S N -0.388 115.267 115.700 -0.075 0.000 2.447 614 S HA -0.117 4.354 4.470 0.001 0.000 0.233 614 S C 1.823 176.336 174.600 -0.145 0.000 1.006 614 S CA 0.603 58.728 58.200 -0.124 0.000 0.957 614 S CB -0.308 62.801 63.200 -0.152 0.000 0.773 614 S HN 0.238 nan 8.310 nan 0.000 0.507 615 K N 0.677 120.988 120.400 -0.148 0.000 2.296 615 K HA 0.247 4.568 4.320 0.001 0.000 0.200 615 K C 0.715 177.218 176.600 -0.162 0.000 1.048 615 K CA 0.223 56.428 56.287 -0.136 0.000 0.966 615 K CB -0.439 31.989 32.500 -0.119 0.000 0.754 615 K HN 0.510 nan 8.250 nan 0.000 0.466 616 M N 0.145 119.602 119.600 -0.238 0.000 2.249 616 M HA 0.004 4.485 4.480 0.001 0.000 0.340 616 M C 1.638 177.705 176.300 -0.389 0.000 1.166 616 M CA 0.179 55.250 55.300 -0.383 0.000 1.115 616 M CB 0.778 32.929 32.600 -0.748 0.000 1.606 616 M HN 0.149 nan 8.290 nan 0.000 0.448 617 G N 2.297 110.946 108.800 -0.251 0.000 2.448 617 G HA2 -0.188 3.773 3.960 0.001 0.000 0.219 617 G HA3 -0.188 3.773 3.960 0.001 0.000 0.219 617 G C 0.782 175.661 174.900 -0.035 0.000 1.127 617 G CA 0.627 45.669 45.100 -0.096 0.000 0.766 617 G HN 0.819 nan 8.290 nan 0.000 0.552 618 F N -0.234 119.775 119.950 0.099 0.000 2.692 618 F HA 0.622 5.150 4.527 0.001 0.000 0.303 618 F C -0.167 175.765 175.800 0.220 0.000 1.114 618 F CA -1.338 56.768 58.000 0.177 0.000 1.361 618 F CB -0.154 39.020 39.000 0.290 0.000 1.063 618 F HN -0.179 nan 8.300 nan 0.000 0.550 619 V N 1.569 121.427 119.914 -0.094 0.000 2.448 619 V HA 0.188 4.308 4.120 0.001 0.000 0.295 619 V C -0.729 175.332 176.094 -0.054 0.000 1.025 619 V CA -0.828 61.453 62.300 -0.033 0.000 0.859 619 V CB 1.498 33.232 31.823 -0.148 0.000 0.988 619 V HN 0.057 nan 8.190 nan 0.000 0.431 620 D N 3.959 124.333 120.400 -0.045 0.000 2.374 620 D HA 0.044 4.685 4.640 0.001 0.000 0.240 620 D C 1.231 177.474 176.300 -0.095 0.000 1.229 620 D CA -0.237 53.712 54.000 -0.085 0.000 0.895 620 D CB 0.631 41.359 40.800 -0.118 0.000 1.046 620 D HN 0.660 nan 8.370 nan 0.000 0.498 621 N N 3.164 121.811 118.700 -0.089 0.000 2.635 621 N HA -0.172 4.569 4.740 0.001 0.000 0.191 621 N C 0.702 176.166 175.510 -0.077 0.000 1.155 621 N CA 0.913 53.907 53.050 -0.094 0.000 0.927 621 N CB -0.070 38.358 38.487 -0.099 0.000 0.976 621 N HN 0.352 nan 8.380 nan 0.000 0.448 622 K N -0.606 119.756 120.400 -0.063 0.000 2.393 622 K HA 0.188 4.509 4.320 0.001 0.000 0.193 622 K C 0.029 176.627 176.600 -0.004 0.000 1.026 622 K CA 0.134 56.401 56.287 -0.032 0.000 1.064 622 K CB 0.430 32.913 32.500 -0.030 0.000 0.833 622 K HN 0.126 nan 8.250 nan 0.000 0.521 623 R N 1.237 121.707 120.500 -0.051 0.000 2.629 623 R HA 0.367 4.708 4.340 0.001 0.000 0.277 623 R C -1.048 175.228 176.300 -0.040 0.000 1.637 623 R CA -0.075 55.991 56.100 -0.057 0.000 1.663 623 R CB 0.662 30.735 30.300 -0.379 0.000 1.228 623 R HN -0.024 nan 8.270 nan 0.000 0.632 624 I N 1.036 121.701 120.570 0.159 0.000 2.406 624 I HA 0.631 4.802 4.170 0.001 0.000 0.290 624 I C -0.095 176.299 176.117 0.461 0.000 0.999 624 I CA -0.807 60.622 61.300 0.215 0.000 1.124 624 I CB 1.974 39.956 38.000 -0.030 0.000 1.289 624 I HN 0.368 nan 8.210 nan 0.000 0.441 625 A N 6.954 130.145 122.820 0.618 0.000 2.387 625 A HA 0.925 5.246 4.320 0.001 0.000 0.298 625 A C -1.197 176.741 177.584 0.590 0.000 1.165 625 A CA -0.649 51.730 52.037 0.570 0.000 0.814 625 A CB 2.117 21.322 19.000 0.341 0.000 1.357 625 A HN 0.717 nan 8.150 nan 0.000 0.443 626 I N 0.237 121.067 120.570 0.435 0.000 2.752 626 I HA 0.705 4.876 4.170 0.001 0.000 0.295 626 I C -1.960 174.410 176.117 0.421 0.000 1.219 626 I CA -0.586 60.906 61.300 0.321 0.000 1.030 626 I CB 1.731 39.648 38.000 -0.138 0.000 1.259 626 I HN 0.940 nan 8.210 nan 0.000 0.423 627 W N 6.833 128.262 121.300 0.214 0.000 3.137 627 W HA 0.844 5.505 4.660 0.001 0.000 0.324 627 W C -1.527 175.145 176.519 0.255 0.000 1.253 627 W CA -1.001 56.486 57.345 0.237 0.000 1.183 627 W CB 1.070 30.726 29.460 0.327 0.000 1.424 627 W HN 0.827 nan 8.180 nan 0.000 0.566 628 G N 0.885 109.668 108.800 -0.029 0.000 2.601 628 G HA2 0.498 4.458 3.960 0.001 0.000 0.291 628 G HA3 0.498 4.458 3.960 0.001 0.000 0.291 628 G C -2.816 172.076 174.900 -0.013 0.000 1.456 628 G CA -0.695 44.238 45.100 -0.278 0.000 0.804 628 G HN 0.615 nan 8.290 nan 0.000 0.499 629 W N 0.966 122.169 121.300 -0.163 0.000 2.736 629 W HA 0.620 5.281 4.660 0.001 0.000 0.335 629 W C 0.757 177.326 176.519 0.084 0.000 1.059 629 W CA 0.324 57.655 57.345 -0.023 0.000 1.226 629 W CB 1.923 31.370 29.460 -0.021 0.000 1.416 629 W HN 1.294 nan 8.180 nan 0.000 0.505 630 S N 2.519 118.489 115.700 0.451 0.000 4.116 630 S HA -0.430 4.041 4.470 0.001 0.000 0.623 630 S C 1.110 175.844 174.600 0.225 0.000 1.933 630 S CA 1.752 60.222 58.200 0.451 0.000 4.224 630 S CB -1.853 61.764 63.200 0.696 0.000 0.208 630 S HN 0.767 nan 8.310 nan 0.000 0.527 631 Y N 2.364 122.690 120.300 0.044 0.000 2.256 631 Y HA 0.019 4.569 4.550 0.001 0.000 0.288 631 Y C 2.367 178.187 175.900 -0.133 0.000 1.155 631 Y CA 2.637 60.645 58.100 -0.153 0.000 1.203 631 Y CB -1.041 37.129 38.460 -0.484 0.000 0.980 631 Y HN 0.546 nan 8.280 nan 0.000 0.530 632 G N -1.063 107.759 108.800 0.036 0.000 2.443 632 G HA2 -0.196 3.764 3.960 0.001 0.000 0.219 632 G HA3 -0.196 3.764 3.960 0.001 0.000 0.219 632 G C 1.874 176.813 174.900 0.067 0.000 1.131 632 G CA 0.692 45.844 45.100 0.087 0.000 0.775 632 G HN 0.578 nan 8.290 nan 0.000 0.547 633 G N -0.204 108.646 108.800 0.083 0.000 2.403 633 G HA2 -0.183 3.778 3.960 0.001 0.000 0.216 633 G HA3 -0.183 3.778 3.960 0.001 0.000 0.216 633 G C 1.565 176.492 174.900 0.046 0.000 1.154 633 G CA 0.981 46.115 45.100 0.057 0.000 0.784 633 G HN 0.403 nan 8.290 nan 0.000 0.538 634 Y N 1.513 121.716 120.300 -0.162 0.000 2.114 634 Y HA -0.132 4.418 4.550 0.001 0.000 0.284 634 Y C 2.739 178.542 175.900 -0.162 0.000 1.143 634 Y CA 1.640 59.591 58.100 -0.249 0.000 1.135 634 Y CB -0.500 37.657 38.460 -0.505 0.000 0.980 634 Y HN 0.025 nan 8.280 nan 0.000 0.499 635 V N -0.247 119.543 119.914 -0.207 0.000 2.343 635 V HA -0.326 3.795 4.120 0.001 0.000 0.247 635 V C 2.331 178.311 176.094 -0.190 0.000 1.051 635 V CA 2.429 64.592 62.300 -0.229 0.000 1.036 635 V CB -1.250 30.583 31.823 0.016 0.000 0.654 635 V HN 0.490 nan 8.190 nan 0.000 0.451 636 T N -0.049 114.452 114.554 -0.089 0.000 2.684 636 T HA -0.208 4.143 4.350 0.001 0.000 0.267 636 T C 2.141 176.785 174.700 -0.093 0.000 1.036 636 T CA 2.049 64.107 62.100 -0.069 0.000 1.148 636 T CB -0.282 68.625 68.868 0.065 0.000 0.863 636 T HN 0.525 nan 8.240 nan 0.000 0.436 637 S N 1.005 116.686 115.700 -0.032 0.000 2.368 637 S HA -0.006 4.465 4.470 0.001 0.000 0.224 637 S C 2.130 176.643 174.600 -0.144 0.000 1.029 637 S CA 0.918 59.128 58.200 0.017 0.000 0.988 637 S CB -0.267 62.999 63.200 0.110 0.000 0.838 637 S HN 0.322 nan 8.310 nan 0.000 0.462 638 M N 0.954 120.378 119.600 -0.293 0.000 2.159 638 M HA -0.016 4.465 4.480 0.001 0.000 0.263 638 M C 2.171 178.303 176.300 -0.282 0.000 1.063 638 M CA 1.000 56.103 55.300 -0.327 0.000 1.110 638 M CB -1.359 30.931 32.600 -0.517 0.000 1.374 638 M HN 0.177 nan 8.290 nan 0.000 0.411 639 V N 0.548 120.286 119.914 -0.293 0.000 2.307 639 V HA -0.227 3.894 4.120 0.001 0.000 0.245 639 V C 2.482 178.361 176.094 -0.357 0.000 1.045 639 V CA 1.350 63.472 62.300 -0.297 0.000 1.024 639 V CB -0.618 30.960 31.823 -0.408 0.000 0.651 639 V HN 0.396 nan 8.190 nan 0.000 0.449 640 L N 0.440 121.382 121.223 -0.468 0.000 2.265 640 L HA -0.046 4.295 4.340 0.001 0.000 0.215 640 L C 2.189 178.468 176.870 -0.985 0.000 1.117 640 L CA 1.419 55.879 54.840 -0.633 0.000 0.782 640 L CB -0.681 40.968 42.059 -0.683 0.000 0.914 640 L HN 0.493 nan 8.230 nan 0.000 0.441 641 G N -1.415 106.823 108.800 -0.937 0.000 3.189 641 G HA2 -0.050 3.911 3.960 0.001 0.000 0.225 641 G HA3 -0.050 3.911 3.960 0.001 0.000 0.225 641 G C 1.493 176.216 174.900 -0.296 0.000 1.159 641 G CA 0.569 45.237 45.100 -0.720 0.000 0.763 641 G HN 0.419 nan 8.290 nan 0.000 0.549 642 S N -0.595 114.956 115.700 -0.248 0.000 2.496 642 S HA 0.294 4.764 4.470 0.001 0.000 0.224 642 S C 1.968 176.517 174.600 -0.084 0.000 0.996 642 S CA 1.077 59.201 58.200 -0.126 0.000 0.927 642 S CB -0.133 63.014 63.200 -0.088 0.000 0.774 642 S HN 1.363 nan 8.310 nan 0.000 0.524 643 G N 1.340 110.080 108.800 -0.100 0.000 2.143 643 G HA2 -0.344 3.617 3.960 0.001 0.000 0.248 643 G HA3 -0.344 3.617 3.960 0.001 0.000 0.248 643 G C 0.983 175.870 174.900 -0.022 0.000 0.991 643 G CA 0.964 46.031 45.100 -0.055 0.000 0.689 643 G HN 1.310 nan 8.290 nan 0.000 0.522 644 S N -0.565 115.134 115.700 -0.001 0.000 2.423 644 S HA 0.275 4.745 4.470 0.001 0.000 0.231 644 S C 2.616 177.218 174.600 0.004 0.000 1.014 644 S CA 1.736 59.947 58.200 0.018 0.000 0.965 644 S CB -0.318 62.926 63.200 0.074 0.000 0.785 644 S HN 2.431 nan 8.310 nan 0.000 0.495 645 G N -0.026 108.784 108.800 0.017 0.000 2.184 645 G HA2 -0.301 3.659 3.960 0.001 0.000 0.264 645 G HA3 -0.301 3.659 3.960 0.001 0.000 0.264 645 G C 0.788 175.665 174.900 -0.040 0.000 0.975 645 G CA 0.454 45.553 45.100 -0.002 0.000 0.642 645 G HN 0.737 nan 8.290 nan 0.000 0.536 646 V N -0.468 119.393 119.914 -0.088 0.000 2.591 646 V HA 0.242 4.362 4.120 0.001 0.000 0.249 646 V C 1.207 177.019 176.094 -0.471 0.000 1.053 646 V CA 1.483 63.579 62.300 -0.339 0.000 1.068 646 V CB -0.383 31.093 31.823 -0.579 0.000 0.689 646 V HN 0.321 nan 8.190 nan 0.000 0.462 647 F N -0.090 119.872 119.950 0.021 0.000 2.420 647 F HA 0.402 4.930 4.527 0.001 0.000 0.342 647 F C 1.107 176.951 175.800 0.074 0.000 1.113 647 F CA -0.564 57.476 58.000 0.066 0.000 1.059 647 F CB 1.440 40.481 39.000 0.068 0.000 1.128 647 F HN -0.259 nan 8.300 nan 0.000 0.475 648 K N 1.656 122.212 120.400 0.259 0.000 2.137 648 K HA 0.081 4.401 4.320 0.001 0.000 0.202 648 K C -0.034 176.696 176.600 0.217 0.000 1.052 648 K CA 0.962 57.368 56.287 0.199 0.000 0.961 648 K CB 0.235 32.851 32.500 0.194 0.000 0.741 648 K HN 0.815 nan 8.250 nan 0.000 0.452 649 c N -3.076 115.689 118.600 0.275 0.000 3.320 649 c HA 0.907 5.478 4.570 0.001 0.000 0.335 649 c C -0.257 174.060 174.090 0.378 0.000 1.430 649 c CA -0.541 55.973 56.329 0.309 0.000 1.271 649 c CB 1.100 43.713 42.510 0.172 0.000 1.609 649 c HN 0.353 nan 8.230 nan 0.000 0.457 650 G N -0.139 108.959 108.800 0.497 0.000 2.632 650 G HA2 0.681 4.642 3.960 0.001 0.000 0.292 650 G HA3 0.681 4.642 3.960 0.001 0.000 0.292 650 G C -2.052 173.102 174.900 0.424 0.000 1.465 650 G CA -0.666 44.697 45.100 0.437 0.000 0.824 650 G HN 1.016 nan 8.290 nan 0.000 0.509 651 I N 0.696 121.479 120.570 0.355 0.000 2.466 651 I HA 0.628 4.799 4.170 0.001 0.000 0.289 651 I C 0.167 176.415 176.117 0.217 0.000 1.026 651 I CA -0.983 60.412 61.300 0.158 0.000 1.078 651 I CB 2.259 40.341 38.000 0.136 0.000 1.249 651 I HN 0.678 nan 8.210 nan 0.000 0.429 652 A N 6.440 129.279 122.820 0.033 0.000 2.304 652 A HA 0.794 5.115 4.320 0.001 0.000 0.314 652 A C -0.787 176.719 177.584 -0.129 0.000 1.187 652 A CA -0.513 51.549 52.037 0.041 0.000 0.810 652 A CB 1.169 20.251 19.000 0.136 0.000 1.183 652 A HN 0.441 nan 8.150 nan 0.000 0.487 653 V N 2.077 121.875 119.914 -0.194 0.000 2.384 653 V HA 0.580 4.700 4.120 0.001 0.000 0.287 653 V C 0.906 176.638 176.094 -0.602 0.000 1.020 653 V CA 0.297 62.270 62.300 -0.546 0.000 0.850 653 V CB 0.850 32.036 31.823 -1.062 0.000 0.987 653 V HN 2.116 nan 8.190 nan 0.000 0.436 654 A N 5.555 127.987 122.820 -0.646 0.000 2.511 654 A HA -0.104 4.217 4.320 0.001 0.000 0.297 654 A C -1.712 175.724 177.584 -0.247 0.000 1.476 654 A CA 0.478 52.039 52.037 -0.794 0.000 0.757 654 A CB -1.557 17.095 19.000 -0.580 0.000 1.072 654 A HN 0.619 nan 8.150 nan 0.000 0.413 655 P HA 0.423 nan 4.420 nan 0.000 0.277 655 P C 0.213 177.481 177.300 -0.053 0.000 1.240 655 P CA -0.201 62.881 63.100 -0.031 0.000 0.798 655 P CB 1.384 33.088 31.700 0.007 0.000 0.979 656 V N 2.331 122.121 119.914 -0.207 0.000 2.775 656 V HA 0.091 4.212 4.120 0.001 0.000 0.299 656 V C 1.661 177.552 176.094 -0.338 0.000 1.062 656 V CA 0.998 63.023 62.300 -0.459 0.000 1.063 656 V CB 0.873 32.045 31.823 -1.086 0.000 0.994 656 V HN 0.857 nan 8.190 nan 0.000 0.483 657 S N 3.460 118.982 115.700 -0.296 0.000 2.631 657 S HA 0.315 4.786 4.470 0.001 0.000 0.246 657 S C 0.465 174.898 174.600 -0.279 0.000 1.068 657 S CA -0.401 57.708 58.200 -0.151 0.000 0.995 657 S CB 0.344 63.526 63.200 -0.029 0.000 0.944 657 S HN 0.682 nan 8.310 nan 0.000 0.529 658 R N -0.648 119.557 120.500 -0.491 0.000 2.508 658 R HA 0.352 4.693 4.340 0.001 0.000 0.283 658 R C -1.033 174.922 176.300 -0.575 0.000 1.120 658 R CA -0.640 55.116 56.100 -0.573 0.000 0.958 658 R CB 0.433 30.235 30.300 -0.830 0.000 1.215 658 R HN 0.239 nan 8.270 nan 0.000 0.427 659 W N 2.051 123.242 121.300 -0.181 0.000 2.364 659 W HA -0.091 4.569 4.660 0.001 0.000 0.281 659 W C 1.223 177.858 176.519 0.192 0.000 1.219 659 W CA 0.769 58.091 57.345 -0.038 0.000 1.220 659 W CB 0.323 29.657 29.460 -0.211 0.000 1.127 659 W HN 0.683 nan 8.180 nan 0.000 0.556 660 E N -1.017 119.353 120.200 0.284 0.000 2.409 660 E HA -0.188 4.163 4.350 0.001 0.000 0.198 660 E C 1.128 177.874 176.600 0.243 0.000 1.024 660 E CA 0.722 57.250 56.400 0.213 0.000 0.861 660 E CB -0.193 29.523 29.700 0.027 0.000 0.788 660 E HN 0.391 nan 8.360 nan 0.000 0.521 661 Y N -1.666 118.728 120.300 0.157 0.000 2.500 661 Y HA 0.080 4.631 4.550 0.001 0.000 0.270 661 Y C 0.650 176.658 175.900 0.180 0.000 1.134 661 Y CA -0.365 57.800 58.100 0.107 0.000 1.293 661 Y CB -0.321 38.142 38.460 0.006 0.000 1.063 661 Y HN 0.010 nan 8.280 nan 0.000 0.534 662 Y N 1.982 122.443 120.300 0.269 0.000 2.408 662 Y HA 0.295 4.846 4.550 0.001 0.000 0.324 662 Y C 0.313 176.435 175.900 0.370 0.000 1.302 662 Y CA -2.092 56.178 58.100 0.284 0.000 1.384 662 Y CB 0.363 39.027 38.460 0.340 0.000 1.367 662 Y HN 0.194 nan 8.280 nan 0.000 0.525 663 D N -0.559 119.509 120.400 -0.552 0.000 2.362 663 D HA 0.105 4.746 4.640 0.001 0.000 0.242 663 D C 0.951 177.214 176.300 -0.062 0.000 1.132 663 D CA 0.347 54.112 54.000 -0.392 0.000 0.907 663 D CB 0.957 41.278 40.800 -0.799 0.000 1.195 663 D HN 0.486 nan 8.370 nan 0.000 0.429 664 S N 1.305 116.987 115.700 -0.030 0.000 2.353 664 S HA -0.238 4.233 4.470 0.001 0.000 0.222 664 S C 1.941 176.569 174.600 0.045 0.000 1.035 664 S CA 1.278 59.516 58.200 0.064 0.000 1.025 664 S CB -1.079 62.164 63.200 0.072 0.000 0.902 664 S HN 0.435 nan 8.310 nan 0.000 0.440 665 V N 0.933 120.814 119.914 -0.055 0.000 2.282 665 V HA -0.196 3.925 4.120 0.001 0.000 0.249 665 V C 2.336 178.347 176.094 -0.138 0.000 1.057 665 V CA 2.355 64.533 62.300 -0.204 0.000 1.032 665 V CB -1.124 30.421 31.823 -0.464 0.000 0.645 665 V HN 0.623 nan 8.190 nan 0.000 0.447 666 Y N 1.212 121.442 120.300 -0.117 0.000 2.153 666 Y HA -0.202 4.349 4.550 0.001 0.000 0.289 666 Y C 2.721 178.606 175.900 -0.025 0.000 1.127 666 Y CA 2.240 60.336 58.100 -0.007 0.000 1.131 666 Y CB -0.607 38.047 38.460 0.325 0.000 0.995 666 Y HN 0.221 nan 8.280 nan 0.000 0.505 667 T N 0.480 115.267 114.554 0.388 0.000 2.652 667 T HA -0.217 4.133 4.350 0.001 0.000 0.267 667 T C 1.562 176.244 174.700 -0.031 0.000 1.039 667 T CA 2.013 64.261 62.100 0.248 0.000 1.153 667 T CB -0.354 68.802 68.868 0.481 0.000 0.863 667 T HN 0.443 nan 8.240 nan 0.000 0.428 668 E N 0.526 120.740 120.200 0.023 0.000 2.204 668 E HA -0.103 4.247 4.350 0.001 0.000 0.195 668 E C 2.351 178.842 176.600 -0.182 0.000 0.990 668 E CA 0.432 56.837 56.400 0.008 0.000 0.821 668 E CB -0.129 29.617 29.700 0.077 0.000 0.750 668 E HN 0.336 nan 8.360 nan 0.000 0.477 669 R N 0.150 120.384 120.500 -0.444 0.000 2.105 669 R HA -0.188 4.152 4.340 0.001 0.000 0.239 669 R C 1.198 176.989 176.300 -0.849 0.000 1.135 669 R CA 1.552 57.206 56.100 -0.743 0.000 0.967 669 R CB 0.018 29.536 30.300 -1.302 0.000 0.861 669 R HN 0.251 nan 8.270 nan 0.000 0.442 670 Y N -2.068 117.927 120.300 -0.509 0.000 2.507 670 Y HA 0.214 4.765 4.550 0.001 0.000 0.263 670 Y C 1.681 177.398 175.900 -0.306 0.000 1.093 670 Y CA 0.067 57.859 58.100 -0.513 0.000 1.285 670 Y CB 0.461 38.479 38.460 -0.737 0.000 1.115 670 Y HN -0.050 nan 8.280 nan 0.000 0.533 671 M N -0.483 119.020 119.600 -0.161 0.000 2.313 671 M HA 0.375 4.856 4.480 0.001 0.000 0.273 671 M C 1.035 177.378 176.300 0.072 0.000 1.049 671 M CA 0.712 55.928 55.300 -0.140 0.000 1.004 671 M CB -0.210 32.110 32.600 -0.467 0.000 1.461 671 M HN 0.311 nan 8.290 nan 0.000 0.514 672 G N 2.020 110.863 108.800 0.073 0.000 2.645 672 G HA2 -0.245 3.716 3.960 0.001 0.000 0.246 672 G HA3 -0.245 3.716 3.960 0.001 0.000 0.246 672 G C -0.480 174.559 174.900 0.231 0.000 1.322 672 G CA -0.720 44.455 45.100 0.125 0.000 0.898 672 G HN 0.360 nan 8.290 nan 0.000 0.573 673 L N 1.803 123.120 121.223 0.157 0.000 2.357 673 L HA 0.438 4.779 4.340 0.001 0.000 0.273 673 L C -1.441 175.404 176.870 -0.042 0.000 1.080 673 L CA -1.765 53.117 54.840 0.069 0.000 0.803 673 L CB 1.863 43.932 42.059 0.017 0.000 1.174 673 L HN 0.457 nan 8.230 nan 0.000 0.443 674 P HA 0.074 nan 4.420 nan 0.000 0.218 674 P C -0.578 176.564 177.300 -0.265 0.000 1.793 674 P CA -0.121 62.562 63.100 -0.695 0.000 0.941 674 P CB -0.351 30.597 31.700 -1.253 0.000 1.919 675 T N -2.620 111.867 114.554 -0.112 0.000 2.887 675 T HA 0.442 4.793 4.350 0.001 0.000 0.288 675 T C -1.930 172.762 174.700 -0.013 0.000 1.021 675 T CA -2.463 59.604 62.100 -0.054 0.000 1.000 675 T CB 2.044 70.891 68.868 -0.034 0.000 1.034 675 T HN -0.197 nan 8.240 nan 0.000 0.467 676 P HA -0.120 nan 4.420 nan 0.000 0.218 676 P C 0.774 178.085 177.300 0.018 0.000 1.148 676 P CA 1.252 64.359 63.100 0.012 0.000 0.822 676 P CB 0.185 31.889 31.700 0.007 0.000 0.784 677 E N -0.814 119.392 120.200 0.011 0.000 2.347 677 E HA -0.090 4.260 4.350 0.001 0.000 0.196 677 E C 1.550 178.164 176.600 0.022 0.000 1.008 677 E CA 0.840 57.248 56.400 0.013 0.000 0.852 677 E CB -0.407 29.297 29.700 0.006 0.000 0.783 677 E HN 0.353 nan 8.360 nan 0.000 0.505 678 D N -0.799 119.619 120.400 0.031 0.000 2.970 678 D HA 0.057 4.698 4.640 0.001 0.000 0.236 678 D C 0.380 176.730 176.300 0.083 0.000 1.415 678 D CA 0.182 54.212 54.000 0.050 0.000 1.279 678 D CB -0.033 40.797 40.800 0.050 0.000 0.932 678 D HN -0.038 nan 8.370 nan 0.000 0.216 679 N N -0.136 118.643 118.700 0.132 0.000 2.241 679 N HA 0.089 4.830 4.740 0.001 0.000 0.238 679 N C 1.104 176.796 175.510 0.302 0.000 1.244 679 N CA -0.103 53.075 53.050 0.214 0.000 0.880 679 N CB 0.185 38.829 38.487 0.262 0.000 1.179 679 N HN 0.088 nan 8.380 nan 0.000 0.513 680 L N 0.709 122.031 121.223 0.164 0.000 2.021 680 L HA -0.180 4.161 4.340 0.001 0.000 0.215 680 L C 1.152 178.127 176.870 0.175 0.000 1.074 680 L CA 2.018 56.932 54.840 0.122 0.000 0.760 680 L CB -0.554 41.515 42.059 0.016 0.000 0.889 680 L HN 0.154 nan 8.230 nan 0.000 0.433 681 D N -1.593 118.892 120.400 0.141 0.000 2.133 681 D HA -0.257 4.384 4.640 0.001 0.000 0.195 681 D C 2.109 178.502 176.300 0.155 0.000 0.997 681 D CA 1.766 55.840 54.000 0.124 0.000 0.840 681 D CB -0.231 40.631 40.800 0.103 0.000 0.947 681 D HN 0.593 nan 8.370 nan 0.000 0.452 682 H N -1.068 118.072 119.070 0.116 0.000 2.462 682 H HA -0.036 4.521 4.556 0.001 0.000 0.292 682 H C 1.640 177.037 175.328 0.116 0.000 1.049 682 H CA 1.091 57.187 56.048 0.080 0.000 1.334 682 H CB -0.241 29.534 29.762 0.022 0.000 1.404 682 H HN 0.173 nan 8.280 nan 0.000 0.544 683 Y N 0.112 120.402 120.300 -0.016 0.000 2.181 683 Y HA -0.160 4.391 4.550 0.001 0.000 0.288 683 Y C 2.283 178.146 175.900 -0.062 0.000 1.146 683 Y CA 1.261 59.356 58.100 -0.007 0.000 1.164 683 Y CB 0.190 38.675 38.460 0.043 0.000 0.982 683 Y HN 0.115 nan 8.280 nan 0.000 0.515 684 R N -0.195 120.373 120.500 0.113 0.000 2.153 684 R HA -0.027 4.314 4.340 0.001 0.000 0.218 684 R C 1.195 177.485 176.300 -0.017 0.000 1.072 684 R CA 0.679 56.799 56.100 0.034 0.000 0.990 684 R CB -0.565 29.758 30.300 0.039 0.000 0.889 684 R HN 0.422 nan 8.270 nan 0.000 0.452 685 N N 0.457 119.124 118.700 -0.056 0.000 2.422 685 N HA -0.038 4.703 4.740 0.001 0.000 0.181 685 N C 0.596 176.040 175.510 -0.110 0.000 1.080 685 N CA 0.600 53.612 53.050 -0.063 0.000 0.893 685 N CB 0.336 38.816 38.487 -0.011 0.000 0.973 685 N HN 0.136 nan 8.380 nan 0.000 0.456 686 S N -0.330 115.253 115.700 -0.195 0.000 2.573 686 S HA 0.074 4.544 4.470 0.001 0.000 0.244 686 S C 0.682 175.321 174.600 0.064 0.000 0.984 686 S CA -0.706 57.443 58.200 -0.085 0.000 1.001 686 S CB -0.452 62.639 63.200 -0.181 0.000 0.788 686 S HN 0.181 nan 8.310 nan 0.000 0.456 687 T N -1.877 112.674 114.554 -0.005 0.000 2.918 687 T HA 0.524 4.875 4.350 0.001 0.000 0.283 687 T C 1.256 175.955 174.700 -0.002 0.000 1.001 687 T CA -0.668 61.421 62.100 -0.018 0.000 1.041 687 T CB 1.371 70.193 68.868 -0.077 0.000 1.028 687 T HN -0.046 nan 8.240 nan 0.000 0.511 688 V N 1.697 121.609 119.914 -0.004 0.000 2.379 688 V HA -0.102 4.019 4.120 0.001 0.000 0.245 688 V C 2.638 178.715 176.094 -0.029 0.000 1.044 688 V CA 1.520 63.812 62.300 -0.013 0.000 1.036 688 V CB -0.933 30.879 31.823 -0.017 0.000 0.664 688 V HN 0.817 nan 8.190 nan 0.000 0.453 689 M N 1.274 120.840 119.600 -0.057 0.000 2.106 689 M HA -0.193 4.288 4.480 0.001 0.000 0.259 689 M C 2.364 178.641 176.300 -0.039 0.000 1.068 689 M CA 2.310 57.569 55.300 -0.068 0.000 1.100 689 M CB -1.089 31.480 32.600 -0.051 0.000 1.351 689 M HN 0.538 nan 8.290 nan 0.000 0.404 690 S N -0.313 115.374 115.700 -0.022 0.000 2.469 690 S HA -0.092 4.379 4.470 0.001 0.000 0.238 690 S C 1.751 176.357 174.600 0.010 0.000 0.998 690 S CA 0.752 58.948 58.200 -0.008 0.000 0.957 690 S CB -0.482 62.713 63.200 -0.009 0.000 0.764 690 S HN 0.555 nan 8.310 nan 0.000 0.514 691 R N 0.449 120.968 120.500 0.032 0.000 2.359 691 R HA 0.439 4.780 4.340 0.001 0.000 0.231 691 R C 2.224 178.626 176.300 0.171 0.000 0.913 691 R CA 0.420 56.565 56.100 0.075 0.000 1.075 691 R CB -0.272 30.070 30.300 0.069 0.000 1.087 691 R HN 0.481 nan 8.270 nan 0.000 0.515 692 A N 1.801 124.671 122.820 0.084 0.000 1.903 692 A HA -0.310 4.011 4.320 0.001 0.000 0.219 692 A C 2.024 179.694 177.584 0.143 0.000 1.191 692 A CA 2.006 54.064 52.037 0.035 0.000 0.638 692 A CB -0.348 18.603 19.000 -0.082 0.000 0.823 692 A HN 0.247 nan 8.150 nan 0.000 0.451 693 E N 0.542 120.796 120.200 0.090 0.000 2.147 693 E HA -0.197 4.154 4.350 0.001 0.000 0.199 693 E C 1.549 178.209 176.600 0.101 0.000 1.005 693 E CA 1.690 58.139 56.400 0.081 0.000 0.810 693 E CB -0.295 29.433 29.700 0.048 0.000 0.736 693 E HN 0.622 nan 8.360 nan 0.000 0.460 694 N N -0.596 118.160 118.700 0.095 0.000 2.573 694 N HA -0.098 4.643 4.740 0.001 0.000 0.187 694 N C 0.709 176.206 175.510 -0.022 0.000 1.107 694 N CA 0.465 53.522 53.050 0.013 0.000 0.918 694 N CB -0.194 38.252 38.487 -0.070 0.000 0.966 694 N HN 0.251 nan 8.380 nan 0.000 0.448 695 F N 1.170 121.077 119.950 -0.071 0.000 2.802 695 F HA 0.115 4.642 4.527 0.001 0.000 0.300 695 F C 1.901 177.703 175.800 0.003 0.000 1.168 695 F CA 0.296 58.249 58.000 -0.078 0.000 1.433 695 F CB 0.229 39.135 39.000 -0.156 0.000 1.115 695 F HN -0.080 nan 8.300 nan 0.000 0.582 696 K N 0.033 120.533 120.400 0.167 0.000 2.280 696 K HA -0.156 4.165 4.320 0.001 0.000 0.202 696 K C 1.228 177.892 176.600 0.106 0.000 1.047 696 K CA 0.990 57.356 56.287 0.131 0.000 0.942 696 K CB -0.136 32.420 32.500 0.093 0.000 0.739 696 K HN 0.412 nan 8.250 nan 0.000 0.457 697 Q N 0.668 120.514 119.800 0.075 0.000 2.204 697 Q HA 0.072 4.413 4.340 0.001 0.000 0.209 697 Q C -0.141 175.906 176.000 0.078 0.000 0.861 697 Q CA -0.086 55.756 55.803 0.065 0.000 0.971 697 Q CB 0.907 29.667 28.738 0.037 0.000 1.095 697 Q HN 0.094 nan 8.270 nan 0.000 0.486 698 V N -3.331 116.648 119.914 0.109 0.000 3.130 698 V HA 0.523 4.644 4.120 0.001 0.000 0.310 698 V C -1.061 175.180 176.094 0.245 0.000 1.158 698 V CA -1.205 61.183 62.300 0.147 0.000 1.029 698 V CB 2.408 34.281 31.823 0.083 0.000 1.057 698 V HN 0.009 nan 8.190 nan 0.000 0.436 699 E N 1.658 122.034 120.200 0.293 0.000 2.174 699 E HA 0.477 4.828 4.350 0.001 0.000 0.282 699 E C -1.889 175.086 176.600 0.624 0.000 0.992 699 E CA -0.389 56.258 56.400 0.410 0.000 0.803 699 E CB 1.956 31.837 29.700 0.302 0.000 1.090 699 E HN 0.712 nan 8.360 nan 0.000 0.396 700 Y N 3.252 123.812 120.300 0.433 0.000 2.425 700 Y HA 0.457 5.008 4.550 0.001 0.000 0.344 700 Y C -1.746 174.212 175.900 0.097 0.000 0.969 700 Y CA -1.420 56.869 58.100 0.314 0.000 1.052 700 Y CB 1.140 39.821 38.460 0.368 0.000 1.215 700 Y HN 0.431 nan 8.280 nan 0.000 0.451 701 L N 7.706 128.637 121.223 -0.487 0.000 2.349 701 L HA 0.629 4.970 4.340 0.001 0.000 0.278 701 L C -2.219 174.200 176.870 -0.752 0.000 0.996 701 L CA -0.787 53.622 54.840 -0.719 0.000 0.825 701 L CB 1.372 42.676 42.059 -1.258 0.000 1.243 701 L HN 0.663 nan 8.230 nan 0.000 0.412 702 L N 6.596 127.465 121.223 -0.591 0.000 2.313 702 L HA 0.719 5.059 4.340 0.001 0.000 0.283 702 L C -1.197 175.541 176.870 -0.219 0.000 1.013 702 L CA -0.048 54.493 54.840 -0.498 0.000 0.816 702 L CB 1.236 43.019 42.059 -0.461 0.000 1.236 702 L HN 0.594 nan 8.230 nan 0.000 0.419 703 I N 4.421 124.877 120.570 -0.190 0.000 2.647 703 I HA 0.478 4.649 4.170 0.001 0.000 0.295 703 I C -1.192 174.912 176.117 -0.021 0.000 1.078 703 I CA -0.743 60.500 61.300 -0.095 0.000 1.048 703 I CB 2.115 40.024 38.000 -0.151 0.000 1.239 703 I HN 0.696 nan 8.210 nan 0.000 0.421 704 H N 2.041 121.157 119.070 0.078 0.000 3.123 704 H HA 0.450 5.007 4.556 0.001 0.000 0.346 704 H C -0.419 175.141 175.328 0.386 0.000 1.138 704 H CA -0.604 55.546 56.048 0.169 0.000 1.273 704 H CB 2.014 31.818 29.762 0.070 0.000 1.926 704 H HN 0.767 nan 8.280 nan 0.000 0.524 705 G N 1.075 110.240 108.800 0.607 0.000 2.370 705 G HA2 0.205 4.166 3.960 0.001 0.000 0.272 705 G HA3 0.205 4.166 3.960 0.001 0.000 0.272 705 G C 1.174 176.369 174.900 0.492 0.000 1.208 705 G CA 0.145 45.553 45.100 0.514 0.000 0.856 705 G HN 0.752 nan 8.290 nan 0.000 0.500 706 T N -0.485 114.219 114.554 0.250 0.000 2.962 706 T HA 0.026 4.377 4.350 0.001 0.000 0.270 706 T C 1.761 176.486 174.700 0.042 0.000 1.088 706 T CA 1.360 63.439 62.100 -0.034 0.000 1.127 706 T CB 0.114 68.884 68.868 -0.163 0.000 0.883 706 T HN 0.678 nan 8.240 nan 0.000 0.493 707 A N 0.997 123.912 122.820 0.160 0.000 2.577 707 A HA 0.300 4.621 4.320 0.001 0.000 0.280 707 A C 0.469 178.053 177.584 -0.001 0.000 1.331 707 A CA -0.479 51.648 52.037 0.151 0.000 0.935 707 A CB -0.326 19.009 19.000 0.559 0.000 1.082 707 A HN 0.393 nan 8.150 nan 0.000 0.525 708 D N 1.556 121.973 120.400 0.028 0.000 2.342 708 D HA -0.014 4.627 4.640 0.001 0.000 0.260 708 D C 0.416 176.681 176.300 -0.059 0.000 1.278 708 D CA 0.152 54.250 54.000 0.164 0.000 0.910 708 D CB 0.641 41.693 40.800 0.420 0.000 1.079 708 D HN 0.575 nan 8.370 nan 0.000 0.496 709 D N 2.346 122.767 120.400 0.035 0.000 2.347 709 D HA -0.134 4.506 4.640 0.001 0.000 0.213 709 D C 0.934 177.197 176.300 -0.062 0.000 0.985 709 D CA -0.093 53.876 54.000 -0.051 0.000 0.879 709 D CB 0.452 41.216 40.800 -0.060 0.000 0.919 709 D HN 0.224 nan 8.370 nan 0.000 0.526 710 N N 0.863 119.614 118.700 0.085 0.000 2.324 710 N HA -0.044 4.697 4.740 0.001 0.000 0.192 710 N C -0.031 175.387 175.510 -0.154 0.000 1.046 710 N CA 0.502 53.639 53.050 0.145 0.000 0.898 710 N CB 0.474 39.037 38.487 0.127 0.000 1.079 710 N HN -0.098 nan 8.380 nan 0.000 0.456 711 V N 3.981 123.808 119.914 -0.145 0.000 2.304 711 V HA 0.190 4.311 4.120 0.001 0.000 0.269 711 V C -0.580 175.514 176.094 0.000 0.000 1.036 711 V CA -0.675 61.584 62.300 -0.069 0.000 0.840 711 V CB 0.085 31.952 31.823 0.074 0.000 1.036 711 V HN 0.306 nan 8.190 nan 0.000 0.466 712 H N 3.429 122.459 119.070 -0.065 0.000 2.948 712 H HA -0.015 4.542 4.556 0.001 0.000 0.351 712 H C 0.898 176.078 175.328 -0.247 0.000 1.079 712 H CA -0.099 55.833 56.048 -0.193 0.000 1.407 712 H CB 0.522 30.090 29.762 -0.323 0.000 1.373 712 H HN 0.620 nan 8.280 nan 0.000 0.605 713 F N 1.985 121.727 119.950 -0.347 0.000 2.147 713 F HA -0.306 4.222 4.527 0.001 0.000 0.301 713 F C 2.606 178.131 175.800 -0.457 0.000 1.084 713 F CA 2.029 59.626 58.000 -0.672 0.000 1.268 713 F CB -0.109 38.676 39.000 -0.358 0.000 1.009 713 F HN 0.673 nan 8.300 nan 0.000 0.486 714 Q N 0.160 119.830 119.800 -0.218 0.000 2.182 714 Q HA -0.349 3.992 4.340 0.001 0.000 0.213 714 Q C 2.111 177.867 176.000 -0.406 0.000 1.000 714 Q CA 2.536 58.154 55.803 -0.308 0.000 0.889 714 Q CB -0.395 28.129 28.738 -0.356 0.000 0.932 714 Q HN 0.612 nan 8.270 nan 0.000 0.415 715 Q N -0.436 119.163 119.800 -0.334 0.000 2.061 715 Q HA -0.131 4.210 4.340 0.001 0.000 0.204 715 Q C 2.282 178.172 176.000 -0.184 0.000 0.984 715 Q CA 1.750 57.470 55.803 -0.139 0.000 0.846 715 Q CB -0.129 28.608 28.738 -0.002 0.000 0.902 715 Q HN 0.336 nan 8.270 nan 0.000 0.421 716 S N 0.593 116.077 115.700 -0.360 0.000 2.406 716 S HA -0.014 4.457 4.470 0.001 0.000 0.228 716 S C 2.016 176.364 174.600 -0.420 0.000 1.020 716 S CA 0.709 58.697 58.200 -0.353 0.000 0.965 716 S CB -0.083 62.889 63.200 -0.380 0.000 0.798 716 S HN 0.465 nan 8.310 nan 0.000 0.488 717 A N 1.262 123.743 122.820 -0.564 0.000 1.972 717 A HA -0.121 4.199 4.320 0.001 0.000 0.219 717 A C 2.113 179.597 177.584 -0.166 0.000 1.169 717 A CA 1.105 52.949 52.037 -0.322 0.000 0.635 717 A CB -0.356 18.520 19.000 -0.208 0.000 0.810 717 A HN 0.361 nan 8.150 nan 0.000 0.446 718 Q N -0.544 119.165 119.800 -0.152 0.000 2.187 718 Q HA 0.040 4.381 4.340 0.001 0.000 0.199 718 Q C 2.092 178.040 176.000 -0.087 0.000 0.957 718 Q CA 0.848 56.615 55.803 -0.060 0.000 0.857 718 Q CB -0.248 28.527 28.738 0.062 0.000 0.929 718 Q HN 0.780 nan 8.270 nan 0.000 0.453 719 I N 1.115 121.604 120.570 -0.134 0.000 2.163 719 I HA -0.276 3.895 4.170 0.001 0.000 0.240 719 I C 2.551 178.496 176.117 -0.286 0.000 1.081 719 I CA 1.465 62.642 61.300 -0.205 0.000 1.353 719 I CB -0.474 37.408 38.000 -0.196 0.000 1.054 719 I HN 0.177 nan 8.210 nan 0.000 0.407 720 S N 1.001 116.552 115.700 -0.249 0.000 2.370 720 S HA -0.298 4.173 4.470 0.001 0.000 0.226 720 S C 2.034 176.598 174.600 -0.061 0.000 1.033 720 S CA 1.635 59.715 58.200 -0.199 0.000 1.011 720 S CB -0.494 62.763 63.200 0.094 0.000 0.852 720 S HN 0.387 nan 8.310 nan 0.000 0.457 721 K N 1.663 122.035 120.400 -0.046 0.000 2.097 721 K HA 0.062 4.383 4.320 0.001 0.000 0.206 721 K C 2.275 178.854 176.600 -0.034 0.000 1.049 721 K CA 1.074 57.355 56.287 -0.011 0.000 0.933 721 K CB -0.659 31.834 32.500 -0.013 0.000 0.717 721 K HN 0.452 nan 8.250 nan 0.000 0.442 722 A N 1.045 123.814 122.820 -0.085 0.000 1.902 722 A HA -0.099 4.221 4.320 0.001 0.000 0.217 722 A C 2.072 179.589 177.584 -0.112 0.000 1.181 722 A CA 1.256 53.237 52.037 -0.093 0.000 0.623 722 A CB -0.562 18.364 19.000 -0.123 0.000 0.818 722 A HN 0.315 nan 8.150 nan 0.000 0.443 723 L N -0.727 120.378 121.223 -0.197 0.000 2.093 723 L HA -0.127 4.214 4.340 0.001 0.000 0.208 723 L C 2.495 179.382 176.870 0.028 0.000 1.085 723 L CA 0.831 55.562 54.840 -0.181 0.000 0.755 723 L CB -0.522 41.248 42.059 -0.482 0.000 0.904 723 L HN 0.231 nan 8.230 nan 0.000 0.435 724 V N -0.154 119.814 119.914 0.090 0.000 2.343 724 V HA -0.279 3.841 4.120 0.001 0.000 0.247 724 V C 2.036 178.169 176.094 0.064 0.000 1.051 724 V CA 1.835 64.212 62.300 0.128 0.000 1.036 724 V CB -0.481 31.416 31.823 0.123 0.000 0.654 724 V HN 0.424 nan 8.190 nan 0.000 0.451 725 D N 0.310 120.729 120.400 0.031 0.000 2.178 725 D HA -0.115 4.526 4.640 0.001 0.000 0.201 725 D C 1.785 178.099 176.300 0.023 0.000 0.980 725 D CA 1.725 55.737 54.000 0.021 0.000 0.842 725 D CB -0.124 40.680 40.800 0.006 0.000 0.948 725 D HN 0.557 nan 8.370 nan 0.000 0.472 726 V N -3.715 116.213 119.914 0.023 0.000 3.542 726 V HA 0.494 4.614 4.120 0.001 0.000 0.296 726 V C 1.222 177.345 176.094 0.048 0.000 1.364 726 V CA 0.277 62.595 62.300 0.030 0.000 1.118 726 V CB -0.116 31.722 31.823 0.025 0.000 0.972 726 V HN 0.149 nan 8.190 nan 0.000 0.430 727 G N 0.420 109.257 108.800 0.061 0.000 2.225 727 G HA2 -0.179 3.782 3.960 0.001 0.000 0.264 727 G HA3 -0.179 3.782 3.960 0.001 0.000 0.264 727 G C -0.128 174.832 174.900 0.100 0.000 1.060 727 G CA 0.219 45.364 45.100 0.075 0.000 0.833 727 G HN 0.829 nan 8.290 nan 0.000 0.498 728 V N 0.415 120.409 119.914 0.133 0.000 2.394 728 V HA 0.485 4.606 4.120 0.001 0.000 0.282 728 V C 0.358 176.627 176.094 0.291 0.000 1.031 728 V CA -0.570 61.838 62.300 0.179 0.000 0.881 728 V CB 1.793 33.708 31.823 0.153 0.000 0.982 728 V HN 0.441 nan 8.190 nan 0.000 0.451 729 D N 3.893 124.441 120.400 0.247 0.000 2.304 729 D HA 0.612 5.253 4.640 0.001 0.000 0.247 729 D C -0.571 175.955 176.300 0.376 0.000 1.089 729 D CA 0.189 54.321 54.000 0.219 0.000 0.910 729 D CB 0.841 41.706 40.800 0.108 0.000 1.199 729 D HN 0.371 nan 8.370 nan 0.000 0.426 730 F N -0.440 119.580 119.950 0.117 0.000 2.779 730 F HA 0.482 5.010 4.527 0.001 0.000 0.316 730 F C -1.484 174.363 175.800 0.078 0.000 1.164 730 F CA -1.180 56.911 58.000 0.151 0.000 0.924 730 F CB 0.823 39.946 39.000 0.204 0.000 1.348 730 F HN 0.042 nan 8.300 nan 0.000 0.467 731 Q N 1.449 121.309 119.800 0.100 0.000 2.266 731 Q HA 0.823 5.164 4.340 0.001 0.000 0.261 731 Q C -0.819 175.160 176.000 -0.036 0.000 0.985 731 Q CA -0.785 54.986 55.803 -0.054 0.000 0.873 731 Q CB 1.980 30.708 28.738 -0.017 0.000 1.306 731 Q HN 1.034 nan 8.270 nan 0.000 0.447 732 A N 1.663 124.435 122.820 -0.081 0.000 2.556 732 A HA 0.871 5.192 4.320 0.001 0.000 0.294 732 A C -1.320 176.193 177.584 -0.119 0.000 1.091 732 A CA -0.595 51.426 52.037 -0.026 0.000 0.704 732 A CB 1.945 21.000 19.000 0.091 0.000 1.300 732 A HN 0.619 nan 8.150 nan 0.000 0.406 733 M N 1.323 120.834 119.600 -0.148 0.000 2.274 733 M HA 0.570 5.051 4.480 0.001 0.000 0.272 733 M C -1.998 174.132 176.300 -0.284 0.000 1.053 733 M CA -0.524 54.532 55.300 -0.407 0.000 0.978 733 M CB 1.086 33.350 32.600 -0.561 0.000 1.836 733 M HN 0.948 nan 8.290 nan 0.000 0.484 734 W N 4.171 125.301 121.300 -0.283 0.000 2.516 734 W HA 0.776 5.436 4.660 0.001 0.000 0.343 734 W C -1.982 174.268 176.519 -0.447 0.000 1.094 734 W CA -0.905 56.357 57.345 -0.138 0.000 1.250 734 W CB 0.361 29.786 29.460 -0.059 0.000 1.308 734 W HN 0.625 nan 8.180 nan 0.000 0.588 735 Y N 2.227 122.654 120.300 0.211 0.000 2.376 735 Y HA 0.290 4.841 4.550 0.001 0.000 0.326 735 Y C 0.486 176.502 175.900 0.193 0.000 0.970 735 Y CA -1.010 57.134 58.100 0.073 0.000 1.248 735 Y CB 1.567 40.048 38.460 0.036 0.000 1.117 735 Y HN 0.413 nan 8.280 nan 0.000 0.476 736 T N 4.599 119.325 114.554 0.285 0.000 2.831 736 T HA -0.040 4.311 4.350 0.001 0.000 0.291 736 T C 0.188 174.968 174.700 0.134 0.000 0.981 736 T CA 0.640 62.853 62.100 0.188 0.000 1.174 736 T CB -0.121 68.794 68.868 0.078 0.000 0.929 736 T HN 0.723 nan 8.240 nan 0.000 0.532 737 D N 0.798 121.259 120.400 0.103 0.000 3.059 737 D HA -0.124 4.517 4.640 0.001 0.000 0.213 737 D C 0.273 176.718 176.300 0.241 0.000 1.144 737 D CA 1.148 55.159 54.000 0.019 0.000 0.975 737 D CB -0.376 40.227 40.800 -0.328 0.000 1.125 737 D HN 0.548 nan 8.370 nan 0.000 0.412 738 E N 0.896 121.256 120.200 0.267 0.000 2.313 738 E HA 0.324 4.675 4.350 0.001 0.000 0.272 738 E C 0.758 177.557 176.600 0.332 0.000 1.038 738 E CA -0.284 56.290 56.400 0.290 0.000 0.863 738 E CB 1.171 31.031 29.700 0.267 0.000 1.060 738 E HN 0.340 nan 8.360 nan 0.000 0.402 739 D N -0.259 120.347 120.400 0.343 0.000 2.511 739 D HA -0.006 4.635 4.640 0.001 0.000 0.283 739 D C 1.073 177.618 176.300 0.408 0.000 1.198 739 D CA -0.136 54.091 54.000 0.378 0.000 1.097 739 D CB -0.181 40.867 40.800 0.412 0.000 1.160 739 D HN 0.396 nan 8.370 nan 0.000 0.589 740 H N -1.663 117.601 119.070 0.323 0.000 2.489 740 H HA 0.109 4.666 4.556 0.001 0.000 0.293 740 H C 1.869 177.463 175.328 0.444 0.000 1.066 740 H CA 1.998 58.257 56.048 0.352 0.000 1.305 740 H CB -0.340 29.612 29.762 0.317 0.000 1.386 740 H HN 0.493 nan 8.280 nan 0.000 0.551 741 G N -0.423 108.581 108.800 0.339 0.000 2.777 741 G HA2 0.025 3.986 3.960 0.001 0.000 0.211 741 G HA3 0.025 3.986 3.960 0.001 0.000 0.211 741 G C 0.638 175.746 174.900 0.347 0.000 1.149 741 G CA 0.230 45.461 45.100 0.219 0.000 0.785 741 G HN 0.498 nan 8.290 nan 0.000 0.536 742 I N 0.212 120.999 120.570 0.361 0.000 5.115 742 I HA -0.337 3.834 4.170 0.001 0.000 0.126 742 I C 1.605 177.863 176.117 0.236 0.000 1.316 742 I CA 0.197 61.653 61.300 0.260 0.000 2.641 742 I CB -1.167 36.953 38.000 0.201 0.000 2.272 742 I HN 0.272 nan 8.210 nan 0.000 0.321 743 A N 1.196 124.125 122.820 0.182 0.000 2.348 743 A HA 0.231 4.552 4.320 0.001 0.000 0.224 743 A C 1.233 178.865 177.584 0.080 0.000 1.227 743 A CA 0.584 52.686 52.037 0.109 0.000 0.885 743 A CB 0.124 19.158 19.000 0.057 0.000 0.933 743 A HN 0.659 nan 8.150 nan 0.000 0.506 744 S N -0.333 115.431 115.700 0.107 0.000 2.573 744 S HA 0.128 4.598 4.470 0.001 0.000 0.277 744 S C 1.223 175.877 174.600 0.090 0.000 1.346 744 S CA 0.383 58.638 58.200 0.092 0.000 1.034 744 S CB 1.015 64.277 63.200 0.104 0.000 0.879 744 S HN 0.473 nan 8.310 nan 0.000 0.528 745 S N 2.082 117.822 115.700 0.068 0.000 2.359 745 S HA -0.187 4.284 4.470 0.001 0.000 0.223 745 S C 2.100 176.761 174.600 0.101 0.000 1.039 745 S CA 2.327 60.571 58.200 0.073 0.000 1.042 745 S CB -1.579 61.646 63.200 0.042 0.000 0.915 745 S HN 1.052 nan 8.310 nan 0.000 0.439 746 T N -0.117 114.485 114.554 0.080 0.000 2.777 746 T HA 0.167 4.517 4.350 0.001 0.000 0.266 746 T C 2.003 176.754 174.700 0.085 0.000 1.040 746 T CA 1.308 63.456 62.100 0.079 0.000 1.141 746 T CB -0.979 67.926 68.868 0.062 0.000 0.868 746 T HN 0.459 nan 8.240 nan 0.000 0.444 747 A N 1.534 124.384 122.820 0.051 0.000 1.933 747 A HA -0.118 4.203 4.320 0.001 0.000 0.218 747 A C 2.206 179.735 177.584 -0.092 0.000 1.175 747 A CA 2.097 54.089 52.037 -0.076 0.000 0.628 747 A CB -1.245 17.680 19.000 -0.125 0.000 0.814 747 A HN 0.772 nan 8.150 nan 0.000 0.444 748 H N -0.166 118.885 119.070 -0.032 0.000 2.321 748 H HA -0.134 4.423 4.556 0.001 0.000 0.300 748 H C 2.102 177.498 175.328 0.115 0.000 1.087 748 H CA 2.337 58.425 56.048 0.067 0.000 1.319 748 H CB -0.238 29.571 29.762 0.078 0.000 1.379 748 H HN 0.581 nan 8.280 nan 0.000 0.501 749 Q N -0.982 118.814 119.800 -0.007 0.000 2.084 749 Q HA -0.186 4.155 4.340 0.001 0.000 0.202 749 Q C 2.224 178.206 176.000 -0.030 0.000 0.978 749 Q CA 1.340 57.099 55.803 -0.072 0.000 0.844 749 Q CB -0.197 28.542 28.738 0.001 0.000 0.898 749 Q HN 0.639 nan 8.270 nan 0.000 0.426 750 H N 0.719 119.755 119.070 -0.056 0.000 2.357 750 H HA -0.069 4.488 4.556 0.001 0.000 0.301 750 H C 2.020 177.338 175.328 -0.016 0.000 1.082 750 H CA 1.271 57.319 56.048 0.000 0.000 1.342 750 H CB 0.011 29.823 29.762 0.083 0.000 1.389 750 H HN 0.276 nan 8.280 nan 0.000 0.511 751 I N 0.104 120.637 120.570 -0.063 0.000 2.252 751 I HA -0.310 3.861 4.170 0.001 0.000 0.245 751 I C 1.699 177.586 176.117 -0.383 0.000 1.102 751 I CA 1.169 62.349 61.300 -0.199 0.000 1.385 751 I CB -0.244 37.453 38.000 -0.506 0.000 1.064 751 I HN 0.139 nan 8.210 nan 0.000 0.414 752 Y N 0.834 120.927 120.300 -0.344 0.000 2.373 752 Y HA -0.166 4.385 4.550 0.001 0.000 0.293 752 Y C 2.673 178.367 175.900 -0.343 0.000 1.129 752 Y CA 1.635 59.421 58.100 -0.524 0.000 1.226 752 Y CB -0.671 37.476 38.460 -0.522 0.000 1.000 752 Y HN 0.141 nan 8.280 nan 0.000 0.549 753 T N -1.771 112.701 114.554 -0.138 0.000 2.777 753 T HA -0.203 4.147 4.350 0.001 0.000 0.266 753 T C 1.548 176.120 174.700 -0.213 0.000 1.040 753 T CA 1.792 63.770 62.100 -0.203 0.000 1.141 753 T CB -0.386 68.368 68.868 -0.191 0.000 0.868 753 T HN 0.392 nan 8.240 nan 0.000 0.444 754 H N 0.810 119.753 119.070 -0.212 0.000 2.357 754 H HA 0.141 4.698 4.556 0.001 0.000 0.301 754 H C 2.157 177.474 175.328 -0.019 0.000 1.082 754 H CA 1.472 57.474 56.048 -0.078 0.000 1.342 754 H CB -0.205 29.501 29.762 -0.094 0.000 1.389 754 H HN 0.244 nan 8.280 nan 0.000 0.511 755 M N -0.911 118.639 119.600 -0.083 0.000 2.175 755 M HA -0.144 4.336 4.480 0.001 0.000 0.264 755 M C 2.368 178.788 176.300 0.200 0.000 1.063 755 M CA 1.339 56.599 55.300 -0.066 0.000 1.119 755 M CB 0.051 32.373 32.600 -0.464 0.000 1.377 755 M HN 0.188 nan 8.290 nan 0.000 0.415 756 S N -0.613 115.216 115.700 0.216 0.000 2.368 756 S HA -0.145 4.326 4.470 0.001 0.000 0.225 756 S C 1.703 176.399 174.600 0.160 0.000 1.030 756 S CA 0.998 59.413 58.200 0.358 0.000 0.999 756 S CB -0.519 62.874 63.200 0.322 0.000 0.844 756 S HN 0.463 nan 8.310 nan 0.000 0.459 757 H N -0.166 118.963 119.070 0.098 0.000 2.353 757 H HA -0.015 4.542 4.556 0.001 0.000 0.300 757 H C 1.960 177.287 175.328 -0.001 0.000 1.090 757 H CA 1.191 57.250 56.048 0.019 0.000 1.327 757 H CB -0.724 29.000 29.762 -0.064 0.000 1.383 757 H HN 0.437 nan 8.280 nan 0.000 0.508 758 F N 1.313 121.252 119.950 -0.017 0.000 2.102 758 F HA -0.185 4.342 4.527 0.001 0.000 0.298 758 F C 2.272 178.031 175.800 -0.068 0.000 1.105 758 F CA 0.929 58.889 58.000 -0.066 0.000 1.239 758 F CB -0.304 38.638 39.000 -0.097 0.000 0.991 758 F HN -0.041 nan 8.300 nan 0.000 0.474 759 I N 0.618 121.168 120.570 -0.033 0.000 2.202 759 I HA -0.264 3.907 4.170 0.001 0.000 0.242 759 I C 2.253 178.164 176.117 -0.343 0.000 1.091 759 I CA 1.455 62.574 61.300 -0.302 0.000 1.368 759 I CB -1.315 36.589 38.000 -0.160 0.000 1.058 759 I HN 0.204 nan 8.210 nan 0.000 0.410 760 K N 0.291 120.640 120.400 -0.085 0.000 2.063 760 K HA -0.238 4.083 4.320 0.001 0.000 0.208 760 K C 2.119 178.709 176.600 -0.017 0.000 1.048 760 K CA 1.277 57.572 56.287 0.013 0.000 0.928 760 K CB -0.274 32.284 32.500 0.097 0.000 0.713 760 K HN 0.322 nan 8.250 nan 0.000 0.442 761 Q N 1.396 121.146 119.800 -0.082 0.000 2.050 761 Q HA -0.212 4.129 4.340 0.001 0.000 0.202 761 Q C 2.274 178.181 176.000 -0.155 0.000 0.980 761 Q CA 1.897 57.637 55.803 -0.105 0.000 0.840 761 Q CB -0.720 27.939 28.738 -0.132 0.000 0.898 761 Q HN 0.428 nan 8.270 nan 0.000 0.424 762 c N 0.259 118.657 118.600 -0.337 0.000 2.411 762 c HA -0.087 4.484 4.570 0.001 0.000 0.279 762 c C 2.162 176.269 174.090 0.029 0.000 1.288 762 c CA 0.481 56.632 56.329 -0.297 0.000 1.764 762 c CB -1.372 40.795 42.510 -0.572 0.000 1.974 762 c HN 0.525 nan 8.230 nan 0.000 0.498 763 F N 1.580 121.488 119.950 -0.071 0.000 2.765 763 F HA 0.259 4.786 4.527 0.001 0.000 0.302 763 F C 1.620 177.404 175.800 -0.027 0.000 1.111 763 F CA 0.347 58.327 58.000 -0.032 0.000 1.359 763 F CB -1.205 37.784 39.000 -0.018 0.000 1.097 763 F HN 0.207 nan 8.300 nan 0.000 0.577 764 S N 1.039 116.822 115.700 0.139 0.000 3.706 764 S HA -0.194 4.277 4.470 0.001 0.000 0.363 764 S C -0.047 174.596 174.600 0.073 0.000 0.999 764 S CA 0.108 58.352 58.200 0.073 0.000 1.143 764 S CB -2.037 61.194 63.200 0.051 0.000 0.902 764 S HN 0.224 nan 8.310 nan 0.000 0.476 765 L N 0.703 121.982 121.223 0.093 0.000 2.309 765 L HA 0.495 4.835 4.340 0.001 0.000 0.282 765 L C -1.393 175.520 176.870 0.070 0.000 1.036 765 L CA -2.224 52.666 54.840 0.085 0.000 0.806 765 L CB 0.538 42.667 42.059 0.116 0.000 1.220 765 L HN 0.033 nan 8.230 nan 0.000 0.429 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.134 63.100 0.057 0.000 0.800 766 P CB 0.000 31.729 31.700 0.048 0.000 0.726