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 1x70_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 0.000 174.738 174.700 0.063 0.000 1.109 39 T CA 0.000 62.130 62.100 0.050 0.000 1.349 39 T CB 0.000 68.897 68.868 0.048 0.000 0.612 40 R N 1.678 122.223 120.500 0.075 0.000 2.734 40 R HA 0.261 4.602 4.340 0.001 0.000 0.266 40 R C 0.972 177.327 176.300 0.092 0.000 1.044 40 R CA -0.553 55.597 56.100 0.082 0.000 1.128 40 R CB 0.469 30.819 30.300 0.084 0.000 1.010 40 R HN 0.530 nan 8.270 nan 0.000 0.461 41 K N 0.731 121.190 120.400 0.099 0.000 2.117 41 K HA 0.188 4.509 4.320 0.001 0.000 0.240 41 K C 0.043 176.717 176.600 0.124 0.000 1.031 41 K CA -0.410 55.944 56.287 0.111 0.000 0.909 41 K CB 0.638 33.212 32.500 0.122 0.000 1.097 41 K HN 0.684 nan 8.250 nan 0.000 0.492 42 T N -2.878 111.758 114.554 0.138 0.000 2.922 42 T HA 0.252 4.603 4.350 0.001 0.000 0.281 42 T C -0.653 174.180 174.700 0.222 0.000 1.005 42 T CA -0.750 61.445 62.100 0.159 0.000 0.982 42 T CB 0.498 69.453 68.868 0.145 0.000 1.158 42 T HN 0.472 nan 8.240 nan 0.000 0.566 43 Y N 2.476 122.852 120.300 0.128 0.000 2.504 43 Y HA 0.402 4.952 4.550 0.001 0.000 0.351 43 Y C 0.898 176.966 175.900 0.280 0.000 0.988 43 Y CA -0.411 57.804 58.100 0.193 0.000 1.239 43 Y CB -0.120 38.416 38.460 0.127 0.000 1.128 43 Y HN 1.009 nan 8.280 nan 0.000 0.525 44 T N 2.428 116.969 114.554 -0.022 0.000 2.881 44 T HA 0.144 4.495 4.350 0.001 0.000 0.278 44 T C 0.964 175.572 174.700 -0.154 0.000 0.982 44 T CA -0.736 61.407 62.100 0.071 0.000 0.989 44 T CB 1.240 70.119 68.868 0.020 0.000 1.058 44 T HN 0.684 nan 8.240 nan 0.000 0.529 45 L N 1.013 121.993 121.223 -0.405 0.000 2.083 45 L HA 0.036 4.377 4.340 0.001 0.000 0.209 45 L C 2.606 179.321 176.870 -0.259 0.000 1.083 45 L CA 2.090 56.536 54.840 -0.657 0.000 0.752 45 L CB -1.441 40.099 42.059 -0.865 0.000 0.899 45 L HN 0.950 nan 8.230 nan 0.000 0.433 46 T N -0.475 113.959 114.554 -0.200 0.000 2.788 46 T HA -0.145 4.205 4.350 0.001 0.000 0.268 46 T C 1.439 176.041 174.700 -0.164 0.000 1.044 46 T CA 1.431 63.442 62.100 -0.147 0.000 1.139 46 T CB -0.320 68.486 68.868 -0.102 0.000 0.867 46 T HN 0.407 nan 8.240 nan 0.000 0.454 47 D N 0.130 120.398 120.400 -0.220 0.000 2.144 47 D HA -0.087 4.554 4.640 0.001 0.000 0.199 47 D C 1.687 177.878 176.300 -0.181 0.000 0.984 47 D CA 0.957 54.794 54.000 -0.272 0.000 0.834 47 D CB -0.341 40.199 40.800 -0.433 0.000 0.955 47 D HN 0.440 nan 8.370 nan 0.000 0.465 48 Y N 1.405 121.522 120.300 -0.304 0.000 2.163 48 Y HA -0.066 4.485 4.550 0.001 0.000 0.288 48 Y C 2.096 177.995 175.900 -0.002 0.000 1.136 48 Y CA 1.164 59.256 58.100 -0.012 0.000 1.147 48 Y CB -0.532 37.974 38.460 0.076 0.000 0.987 48 Y HN -0.106 nan 8.280 nan 0.000 0.509 49 L N 0.025 121.042 121.223 -0.345 0.000 2.156 49 L HA -0.129 4.211 4.340 0.001 0.000 0.208 49 L C 1.717 178.466 176.870 -0.201 0.000 1.095 49 L CA 1.170 55.787 54.840 -0.371 0.000 0.770 49 L CB -0.391 41.526 42.059 -0.237 0.000 0.914 49 L HN 0.057 nan 8.230 nan 0.000 0.439 50 K N 0.041 120.351 120.400 -0.150 0.000 2.372 50 K HA 0.147 4.467 4.320 0.001 0.000 0.200 50 K C -0.118 176.429 176.600 -0.089 0.000 1.022 50 K CA -0.116 56.108 56.287 -0.104 0.000 1.125 50 K CB -0.107 32.335 32.500 -0.096 0.000 0.855 50 K HN 0.260 nan 8.250 nan 0.000 0.524 51 N N 1.069 119.723 118.700 -0.076 0.000 2.725 51 N HA -0.186 4.555 4.740 0.001 0.000 0.251 51 N C 0.214 175.701 175.510 -0.038 0.000 1.031 51 N CA 0.490 53.535 53.050 -0.007 0.000 0.720 51 N CB -1.006 37.477 38.487 -0.006 0.000 0.930 51 N HN 0.129 nan 8.380 nan 0.000 0.543 52 T N -0.968 113.506 114.554 -0.134 0.000 2.720 52 T HA -0.200 4.151 4.350 0.001 0.000 0.268 52 T C 0.368 174.827 174.700 -0.402 0.000 1.037 52 T CA 1.413 63.297 62.100 -0.358 0.000 1.144 52 T CB -0.123 68.346 68.868 -0.666 0.000 0.864 52 T HN 0.347 nan 8.240 nan 0.000 0.444 53 Y N 1.805 122.199 120.300 0.158 0.000 2.478 53 Y HA 0.468 5.019 4.550 0.001 0.000 0.329 53 Y C 0.426 176.432 175.900 0.176 0.000 0.967 53 Y CA -1.137 57.074 58.100 0.185 0.000 1.255 53 Y CB 0.443 39.068 38.460 0.276 0.000 1.103 53 Y HN -0.127 nan 8.280 nan 0.000 0.497 54 R N 2.749 123.388 120.500 0.231 0.000 2.368 54 R HA 0.502 4.843 4.340 0.001 0.000 0.302 54 R C -1.135 175.272 176.300 0.178 0.000 1.002 54 R CA -1.152 55.054 56.100 0.177 0.000 0.929 54 R CB 1.346 31.708 30.300 0.104 0.000 1.073 54 R HN 0.419 nan 8.270 nan 0.000 0.464 55 L N 2.965 124.296 121.223 0.180 0.000 2.349 55 L HA 0.229 4.570 4.340 0.001 0.000 0.275 55 L C 0.425 177.374 176.870 0.132 0.000 1.115 55 L CA 0.397 55.340 54.840 0.170 0.000 0.820 55 L CB 0.593 42.775 42.059 0.206 0.000 1.135 55 L HN 0.338 nan 8.230 nan 0.000 0.445 56 K N 2.813 123.284 120.400 0.117 0.000 2.118 56 K HA 0.611 4.932 4.320 0.001 0.000 0.267 56 K C -0.903 175.736 176.600 0.064 0.000 0.991 56 K CA -0.706 55.628 56.287 0.078 0.000 0.916 56 K CB 1.247 33.786 32.500 0.066 0.000 1.041 56 K HN 0.204 nan 8.250 nan 0.000 0.455 57 L N 1.161 122.358 121.223 -0.044 0.000 2.211 57 L HA 0.449 4.790 4.340 0.001 0.000 0.259 57 L C -1.083 175.523 176.870 -0.439 0.000 1.031 57 L CA -0.652 54.028 54.840 -0.267 0.000 0.877 57 L CB 0.573 42.598 42.059 -0.056 0.000 1.457 57 L HN 0.521 nan 8.230 nan 0.000 0.466 58 Y N -0.115 119.669 120.300 -0.860 0.000 2.489 58 Y HA 0.400 4.950 4.550 0.001 0.000 0.339 58 Y C -0.861 174.889 175.900 -0.250 0.000 1.135 58 Y CA -0.413 57.386 58.100 -0.501 0.000 1.321 58 Y CB 1.071 39.071 38.460 -0.766 0.000 1.098 58 Y HN 0.448 nan 8.280 nan 0.000 0.590 59 S N 5.848 121.476 115.700 -0.120 0.000 2.399 59 S HA 0.488 4.959 4.470 0.001 0.000 0.301 59 S C -0.477 174.079 174.600 -0.074 0.000 1.093 59 S CA -0.569 57.600 58.200 -0.051 0.000 1.077 59 S CB -0.231 62.950 63.200 -0.031 0.000 0.980 59 S HN 0.550 nan 8.310 nan 0.000 0.494 60 L N 1.527 122.667 121.223 -0.139 0.000 2.331 60 L HA 0.775 5.116 4.340 0.001 0.000 0.268 60 L C -0.110 176.657 176.870 -0.172 0.000 1.015 60 L CA -0.868 53.842 54.840 -0.216 0.000 0.807 60 L CB 0.651 42.291 42.059 -0.698 0.000 1.293 60 L HN 0.319 nan 8.230 nan 0.000 0.451 61 R N 0.498 120.931 120.500 -0.112 0.000 2.473 61 R HA 0.339 4.680 4.340 0.001 0.000 0.303 61 R C -1.741 174.575 176.300 0.026 0.000 1.002 61 R CA -0.300 55.791 56.100 -0.014 0.000 0.884 61 R CB 1.077 31.401 30.300 0.040 0.000 1.173 61 R HN 0.661 nan 8.270 nan 0.000 0.464 62 W N 4.372 125.754 121.300 0.137 0.000 2.251 62 W HA 0.113 4.774 4.660 0.001 0.000 0.327 62 W C 1.526 178.108 176.519 0.105 0.000 1.361 62 W CA -0.380 57.057 57.345 0.154 0.000 1.234 62 W CB 0.493 30.045 29.460 0.153 0.000 1.212 62 W HN 0.646 nan 8.180 nan 0.000 0.557 63 I N 0.578 121.347 120.570 0.333 0.000 4.082 63 I HA 0.343 4.514 4.170 0.001 0.000 0.337 63 I C 0.550 176.760 176.117 0.155 0.000 1.352 63 I CA -0.148 61.252 61.300 0.168 0.000 1.097 63 I CB -0.197 37.828 38.000 0.041 0.000 1.048 63 I HN 0.269 nan 8.210 nan 0.000 0.393 64 S N -0.607 115.227 115.700 0.223 0.000 2.680 64 S HA 0.201 4.672 4.470 0.001 0.000 0.276 64 S C -0.219 174.508 174.600 0.212 0.000 1.189 64 S CA -0.202 58.099 58.200 0.169 0.000 0.909 64 S CB 1.182 64.435 63.200 0.088 0.000 1.227 64 S HN 0.054 nan 8.310 nan 0.000 0.501 65 D N 0.099 120.635 120.400 0.227 0.000 2.363 65 D HA 0.083 4.723 4.640 0.001 0.000 0.220 65 D C 1.174 177.718 176.300 0.407 0.000 0.994 65 D CA 1.484 55.619 54.000 0.225 0.000 0.890 65 D CB -0.030 40.893 40.800 0.205 0.000 0.906 65 D HN 0.658 nan 8.370 nan 0.000 0.530 66 H N -2.312 116.945 119.070 0.311 0.000 3.480 66 H HA 0.404 4.961 4.556 0.001 0.000 0.257 66 H C -0.400 175.097 175.328 0.283 0.000 1.196 66 H CA -0.338 55.908 56.048 0.330 0.000 1.100 66 H CB 0.022 29.953 29.762 0.283 0.000 1.683 66 H HN 0.019 nan 8.280 nan 0.000 0.702 67 E N 0.902 121.140 120.200 0.064 0.000 2.367 67 E HA 0.420 4.771 4.350 0.001 0.000 0.273 67 E C -1.601 175.138 176.600 0.232 0.000 0.903 67 E CA -1.197 55.208 56.400 0.007 0.000 0.764 67 E CB 3.085 32.658 29.700 -0.210 0.000 1.252 67 E HN 0.271 nan 8.360 nan 0.000 0.446 68 Y N -1.040 119.237 120.300 -0.038 0.000 2.588 68 Y HA 0.632 5.182 4.550 0.001 0.000 0.343 68 Y C -1.633 174.232 175.900 -0.058 0.000 1.065 68 Y CA -1.293 56.697 58.100 -0.182 0.000 1.038 68 Y CB 0.892 38.907 38.460 -0.741 0.000 1.297 68 Y HN 0.326 nan 8.280 nan 0.000 0.467 69 L N 3.023 124.340 121.223 0.157 0.000 2.322 69 L HA 0.511 4.852 4.340 0.001 0.000 0.279 69 L C -1.359 175.684 176.870 0.289 0.000 1.036 69 L CA -0.987 53.927 54.840 0.123 0.000 0.807 69 L CB 1.627 43.673 42.059 -0.022 0.000 1.226 69 L HN 0.797 nan 8.230 nan 0.000 0.433 70 Y N 2.679 123.064 120.300 0.142 0.000 2.441 70 Y HA 0.292 4.843 4.550 0.001 0.000 0.334 70 Y C -0.731 175.200 175.900 0.052 0.000 1.061 70 Y CA -1.108 57.010 58.100 0.029 0.000 1.032 70 Y CB 1.621 40.036 38.460 -0.076 0.000 1.266 70 Y HN 0.424 nan 8.280 nan 0.000 0.441 71 K N 5.263 125.322 120.400 -0.568 0.000 2.276 71 K HA 0.298 4.619 4.320 0.001 0.000 0.285 71 K C -1.081 175.157 176.600 -0.603 0.000 1.062 71 K CA -0.339 55.695 56.287 -0.421 0.000 0.918 71 K CB 0.733 33.078 32.500 -0.258 0.000 1.055 71 K HN 0.846 nan 8.250 nan 0.000 0.477 72 Q N 3.349 122.987 119.800 -0.269 0.000 2.292 72 Q HA 0.099 4.440 4.340 0.001 0.000 0.270 72 Q C -1.153 174.806 176.000 -0.068 0.000 1.024 72 Q CA -0.195 55.525 55.803 -0.139 0.000 0.768 72 Q CB 1.307 30.097 28.738 0.086 0.000 1.250 72 Q HN 0.736 nan 8.270 nan 0.000 0.447 73 E N 2.681 122.844 120.200 -0.063 0.000 2.637 73 E HA -0.323 4.027 4.350 0.001 0.000 0.265 73 E C -0.392 176.172 176.600 -0.059 0.000 1.073 73 E CA 0.608 56.982 56.400 -0.043 0.000 0.778 73 E CB -0.940 28.748 29.700 -0.020 0.000 1.362 73 E HN 0.869 nan 8.360 nan 0.000 0.413 74 N N -1.411 117.238 118.700 -0.084 0.000 2.909 74 N HA -0.164 4.577 4.740 0.001 0.000 0.242 74 N C -0.857 174.594 175.510 -0.099 0.000 0.975 74 N CA 1.230 54.227 53.050 -0.088 0.000 0.921 74 N CB -0.918 37.532 38.487 -0.061 0.000 1.112 74 N HN 0.385 nan 8.380 nan 0.000 0.581 75 N N 0.927 119.573 118.700 -0.091 0.000 2.400 75 N HA 0.400 5.141 4.740 0.001 0.000 0.288 75 N C 0.111 175.577 175.510 -0.074 0.000 1.024 75 N CA -0.307 52.697 53.050 -0.077 0.000 0.894 75 N CB 1.391 39.847 38.487 -0.051 0.000 1.173 75 N HN 0.137 nan 8.380 nan 0.000 0.487 76 I N 3.063 123.598 120.570 -0.059 0.000 2.352 76 I HA 0.233 4.404 4.170 0.001 0.000 0.290 76 I C 0.152 176.323 176.117 0.089 0.000 1.036 76 I CA -0.297 60.994 61.300 -0.015 0.000 1.336 76 I CB 0.541 38.523 38.000 -0.030 0.000 1.407 76 I HN 0.210 nan 8.210 nan 0.000 0.497 77 L N 6.769 128.054 121.223 0.103 0.000 2.334 77 L HA 0.637 4.978 4.340 0.001 0.000 0.270 77 L C -0.371 176.540 176.870 0.069 0.000 1.018 77 L CA -1.020 53.860 54.840 0.066 0.000 0.811 77 L CB 2.177 44.238 42.059 0.004 0.000 1.271 77 L HN 0.305 nan 8.230 nan 0.000 0.443 78 V N 1.880 121.753 119.914 -0.067 0.000 2.448 78 V HA 0.514 4.634 4.120 0.001 0.000 0.295 78 V C -0.990 174.919 176.094 -0.307 0.000 1.025 78 V CA -0.220 62.024 62.300 -0.093 0.000 0.859 78 V CB 1.339 33.159 31.823 -0.006 0.000 0.988 78 V HN 0.464 nan 8.190 nan 0.000 0.431 79 F N 5.408 125.069 119.950 -0.482 0.000 2.458 79 F HA 0.503 5.031 4.527 0.001 0.000 0.330 79 F C 0.536 176.033 175.800 -0.506 0.000 1.082 79 F CA -0.505 57.129 58.000 -0.609 0.000 0.995 79 F CB 1.625 39.889 39.000 -1.228 0.000 1.170 79 F HN 0.522 nan 8.300 nan 0.000 0.478 80 N N 1.943 120.577 118.700 -0.110 0.000 2.422 80 N HA 0.256 4.997 4.740 0.001 0.000 0.266 80 N C 0.385 175.867 175.510 -0.047 0.000 1.007 80 N CA 0.068 53.105 53.050 -0.022 0.000 0.941 80 N CB 1.818 40.359 38.487 0.090 0.000 1.115 80 N HN 0.809 nan 8.380 nan 0.000 0.492 81 A N 3.853 126.605 122.820 -0.114 0.000 1.902 81 A HA -0.191 4.130 4.320 0.001 0.000 0.217 81 A C 1.893 179.254 177.584 -0.371 0.000 1.181 81 A CA 1.728 53.615 52.037 -0.251 0.000 0.623 81 A CB -0.551 18.098 19.000 -0.586 0.000 0.818 81 A HN 0.849 nan 8.150 nan 0.000 0.443 82 E N -0.797 119.154 120.200 -0.415 0.000 2.049 82 E HA -0.225 4.126 4.350 0.001 0.000 0.198 82 E C 1.489 177.855 176.600 -0.390 0.000 1.007 82 E CA 2.174 58.353 56.400 -0.368 0.000 0.809 82 E CB -0.466 28.939 29.700 -0.491 0.000 0.749 82 E HN 0.752 nan 8.360 nan 0.000 0.450 83 Y N -2.082 118.229 120.300 0.019 0.000 2.481 83 Y HA 0.327 4.878 4.550 0.001 0.000 0.258 83 Y C 1.637 177.547 175.900 0.017 0.000 1.103 83 Y CA -0.033 58.078 58.100 0.019 0.000 1.287 83 Y CB 1.193 39.664 38.460 0.019 0.000 1.108 83 Y HN 0.285 nan 8.280 nan 0.000 0.529 84 G N 1.018 109.906 108.800 0.147 0.000 2.176 84 G HA2 -0.309 3.651 3.960 0.001 0.000 0.253 84 G HA3 -0.309 3.651 3.960 0.001 0.000 0.253 84 G C -0.024 174.969 174.900 0.156 0.000 0.979 84 G CA 0.179 45.374 45.100 0.158 0.000 0.641 84 G HN 0.441 nan 8.290 nan 0.000 0.530 85 N N 0.677 119.434 118.700 0.094 0.000 2.467 85 N HA 0.569 5.310 4.740 0.001 0.000 0.262 85 N C 0.180 175.585 175.510 -0.175 0.000 1.234 85 N CA 0.719 53.759 53.050 -0.017 0.000 0.952 85 N CB 1.536 40.020 38.487 -0.006 0.000 1.158 85 N HN 0.953 nan 8.380 nan 0.000 0.463 86 S N -0.585 114.927 115.700 -0.314 0.000 2.720 86 S HA 0.769 5.240 4.470 0.001 0.000 0.287 86 S C -0.922 173.491 174.600 -0.312 0.000 1.168 86 S CA -0.799 57.082 58.200 -0.531 0.000 0.832 86 S CB 1.552 64.012 63.200 -1.235 0.000 1.166 86 S HN 0.649 nan 8.310 nan 0.000 0.493 87 S N -0.317 115.212 115.700 -0.286 0.000 2.570 87 S HA 0.586 5.057 4.470 0.001 0.000 0.270 87 S C -1.049 173.479 174.600 -0.120 0.000 1.149 87 S CA -0.701 57.406 58.200 -0.155 0.000 0.837 87 S CB 1.583 64.728 63.200 -0.092 0.000 1.124 87 S HN 0.770 nan 8.310 nan 0.000 0.465 88 V N 2.544 122.410 119.914 -0.080 0.000 2.614 88 V HA 0.241 4.362 4.120 0.001 0.000 0.291 88 V C 0.320 176.420 176.094 0.011 0.000 1.049 88 V CA 0.364 62.641 62.300 -0.039 0.000 1.038 88 V CB 0.664 32.451 31.823 -0.060 0.000 0.980 88 V HN 0.952 nan 8.190 nan 0.000 0.481 89 F N 4.529 124.429 119.950 -0.084 0.000 2.553 89 F HA 0.523 5.051 4.527 0.001 0.000 0.282 89 F C 0.125 175.888 175.800 -0.061 0.000 1.089 89 F CA 0.216 58.179 58.000 -0.063 0.000 1.411 89 F CB 0.752 39.729 39.000 -0.039 0.000 1.125 89 F HN 0.368 nan 8.300 nan 0.000 0.610 90 L N 1.666 122.921 121.223 0.053 0.000 2.639 90 L HA 0.317 4.658 4.340 0.001 0.000 0.264 90 L C -1.107 175.711 176.870 -0.085 0.000 0.948 90 L CA -0.588 54.221 54.840 -0.052 0.000 0.912 90 L CB 1.170 43.270 42.059 0.069 0.000 1.294 90 L HN -0.107 nan 8.230 nan 0.000 0.412 91 E N 2.251 122.362 120.200 -0.149 0.000 2.415 91 E HA 0.020 4.370 4.350 0.001 0.000 0.262 91 E C 0.586 177.092 176.600 -0.157 0.000 1.038 91 E CA 0.269 56.581 56.400 -0.147 0.000 0.921 91 E CB 0.550 30.148 29.700 -0.170 0.000 0.950 91 E HN 0.674 nan 8.360 nan 0.000 0.438 92 N N 0.328 118.961 118.700 -0.112 0.000 2.331 92 N HA -0.176 4.565 4.740 0.001 0.000 0.180 92 N C 1.234 176.689 175.510 -0.092 0.000 1.019 92 N CA 1.293 54.292 53.050 -0.084 0.000 0.881 92 N CB -0.214 38.235 38.487 -0.064 0.000 0.972 92 N HN 0.334 nan 8.380 nan 0.000 0.435 93 S N -1.572 114.052 115.700 -0.126 0.000 2.496 93 S HA 0.001 4.471 4.470 0.001 0.000 0.224 93 S C 1.540 176.002 174.600 -0.230 0.000 0.996 93 S CA 0.491 58.614 58.200 -0.129 0.000 0.927 93 S CB -1.020 62.116 63.200 -0.107 0.000 0.774 93 S HN 0.245 nan 8.310 nan 0.000 0.524 94 T N 1.725 116.042 114.554 -0.395 0.000 2.792 94 T HA -0.086 4.264 4.350 0.001 0.000 0.268 94 T C 0.142 174.263 174.700 -0.965 0.000 1.059 94 T CA 1.384 63.040 62.100 -0.740 0.000 1.136 94 T CB -0.518 67.699 68.868 -1.086 0.000 0.846 94 T HN 0.605 nan 8.240 nan 0.000 0.489 95 F N 0.553 120.384 119.950 -0.198 0.000 2.908 95 F HA 0.372 4.900 4.527 0.001 0.000 0.328 95 F C 1.042 176.817 175.800 -0.043 0.000 1.211 95 F CA -1.307 56.600 58.000 -0.155 0.000 1.291 95 F CB 0.086 38.912 39.000 -0.290 0.000 0.962 95 F HN -0.095 nan 8.300 nan 0.000 0.505 96 D N 0.872 121.290 120.400 0.029 0.000 2.123 96 D HA -0.153 4.488 4.640 0.001 0.000 0.196 96 D C 1.174 177.507 176.300 0.056 0.000 0.992 96 D CA 1.534 55.553 54.000 0.032 0.000 0.833 96 D CB 0.154 40.945 40.800 -0.016 0.000 0.954 96 D HN 0.307 nan 8.370 nan 0.000 0.455 97 E N -0.746 119.491 120.200 0.063 0.000 2.411 97 E HA 0.100 4.451 4.350 0.001 0.000 0.204 97 E C 0.708 177.348 176.600 0.066 0.000 1.059 97 E CA -0.359 56.064 56.400 0.037 0.000 1.112 97 E CB -0.264 29.441 29.700 0.008 0.000 1.168 97 E HN 0.122 nan 8.360 nan 0.000 0.445 98 F N 0.747 120.680 119.950 -0.028 0.000 2.171 98 F HA -0.027 4.501 4.527 0.001 0.000 0.300 98 F C 1.891 177.558 175.800 -0.222 0.000 1.090 98 F CA 1.969 59.935 58.000 -0.057 0.000 1.293 98 F CB -0.027 38.956 39.000 -0.028 0.000 1.013 98 F HN 0.241 nan 8.300 nan 0.000 0.486 99 G N -1.453 107.161 108.800 -0.310 0.000 2.284 99 G HA2 -0.244 3.716 3.960 0.001 0.000 0.230 99 G HA3 -0.244 3.716 3.960 0.001 0.000 0.230 99 G C 0.379 174.897 174.900 -0.636 0.000 1.021 99 G CA 0.306 45.072 45.100 -0.557 0.000 0.619 99 G HN 0.553 nan 8.290 nan 0.000 0.510 100 H N 0.226 119.066 119.070 -0.383 0.000 2.616 100 H HA 0.680 5.236 4.556 0.001 0.000 0.353 100 H C -0.355 175.024 175.328 0.086 0.000 1.170 100 H CA 0.065 55.989 56.048 -0.205 0.000 1.212 100 H CB 1.619 31.041 29.762 -0.567 0.000 1.653 100 H HN 0.152 nan 8.280 nan 0.000 0.537 101 S N 1.681 117.512 115.700 0.218 0.000 2.439 101 S HA 0.244 4.715 4.470 0.001 0.000 0.282 101 S C 0.274 174.978 174.600 0.172 0.000 1.170 101 S CA -0.750 57.543 58.200 0.155 0.000 1.054 101 S CB -0.737 62.525 63.200 0.103 0.000 0.956 101 S HN 0.341 nan 8.310 nan 0.000 0.490 102 I N 5.590 126.219 120.570 0.098 0.000 2.436 102 I HA 0.109 4.280 4.170 0.001 0.000 0.289 102 I C 1.451 177.578 176.117 0.017 0.000 1.083 102 I CA -0.311 61.006 61.300 0.028 0.000 1.372 102 I CB 0.507 38.411 38.000 -0.160 0.000 1.408 102 I HN 0.662 nan 8.210 nan 0.000 0.516 103 N N 3.904 122.617 118.700 0.022 0.000 2.250 103 N HA -0.077 4.664 4.740 0.001 0.000 0.181 103 N C 0.087 175.567 175.510 -0.049 0.000 1.017 103 N CA 1.255 54.272 53.050 -0.056 0.000 0.866 103 N CB 0.375 38.799 38.487 -0.105 0.000 0.985 103 N HN 0.680 nan 8.380 nan 0.000 0.429 104 D N -3.002 117.403 120.400 0.008 0.000 2.725 104 D HA 0.168 4.808 4.640 0.001 0.000 0.292 104 D C -1.689 174.698 176.300 0.144 0.000 1.288 104 D CA -0.471 53.563 54.000 0.057 0.000 0.784 104 D CB 0.789 41.575 40.800 -0.023 0.000 1.308 104 D HN 0.042 nan 8.370 nan 0.000 0.429 105 Y N -1.312 119.001 120.300 0.023 0.000 2.615 105 Y HA 0.753 5.304 4.550 0.001 0.000 0.341 105 Y C -1.178 174.802 175.900 0.133 0.000 1.089 105 Y CA -1.023 57.113 58.100 0.060 0.000 1.049 105 Y CB 1.659 40.134 38.460 0.024 0.000 1.296 105 Y HN 0.138 nan 8.280 nan 0.000 0.470 106 S N 2.031 117.873 115.700 0.235 0.000 2.706 106 S HA 0.615 5.085 4.470 0.001 0.000 0.270 106 S C -1.673 173.221 174.600 0.490 0.000 1.163 106 S CA -0.440 57.908 58.200 0.247 0.000 1.042 106 S CB 0.137 63.501 63.200 0.274 0.000 1.079 106 S HN 0.625 nan 8.310 nan 0.000 0.474 107 I N 4.378 125.134 120.570 0.310 0.000 2.428 107 I HA 0.300 4.470 4.170 0.001 0.000 0.289 107 I C 1.000 176.991 176.117 -0.210 0.000 1.019 107 I CA 0.106 61.508 61.300 0.171 0.000 1.351 107 I CB 1.625 39.697 38.000 0.120 0.000 1.412 107 I HN 0.734 nan 8.210 nan 0.000 0.513 108 S N 5.704 120.989 115.700 -0.691 0.000 2.573 108 S HA 0.188 4.658 4.470 0.001 0.000 0.277 108 S C -1.834 172.473 174.600 -0.487 0.000 1.346 108 S CA -0.830 56.576 58.200 -1.323 0.000 1.034 108 S CB 0.385 62.725 63.200 -1.433 0.000 0.879 108 S HN 0.451 nan 8.310 nan 0.000 0.528 109 P HA -0.154 nan 4.420 nan 0.000 0.216 109 P C 0.780 178.028 177.300 -0.087 0.000 1.150 109 P CA 1.635 64.654 63.100 -0.134 0.000 0.843 109 P CB -0.159 31.485 31.700 -0.094 0.000 0.787 110 D N -2.210 118.132 120.400 -0.095 0.000 2.349 110 D HA 0.071 4.711 4.640 0.001 0.000 0.224 110 D C 1.424 177.716 176.300 -0.013 0.000 1.029 110 D CA 0.713 54.695 54.000 -0.031 0.000 0.879 110 D CB -1.139 39.663 40.800 0.004 0.000 0.906 110 D HN 0.212 nan 8.370 nan 0.000 0.528 111 G N 0.333 109.116 108.800 -0.029 0.000 2.168 111 G HA2 -0.414 3.547 3.960 0.001 0.000 0.263 111 G HA3 -0.414 3.547 3.960 0.001 0.000 0.263 111 G C 0.969 175.880 174.900 0.018 0.000 0.977 111 G CA 0.594 45.744 45.100 0.084 0.000 0.659 111 G HN 0.469 nan 8.290 nan 0.000 0.533 112 Q N -1.531 118.179 119.800 -0.150 0.000 2.331 112 Q HA 0.340 4.681 4.340 0.001 0.000 0.203 112 Q C 0.357 175.886 176.000 -0.785 0.000 0.944 112 Q CA 0.723 56.233 55.803 -0.487 0.000 0.892 112 Q CB 0.281 28.640 28.738 -0.632 0.000 0.983 112 Q HN 0.602 nan 8.270 nan 0.000 0.482 113 F N -0.798 119.111 119.950 -0.068 0.000 2.629 113 F HA 0.531 5.058 4.527 0.001 0.000 0.316 113 F C -0.657 175.238 175.800 0.158 0.000 1.081 113 F CA -1.267 56.758 58.000 0.043 0.000 0.954 113 F CB 1.685 40.730 39.000 0.075 0.000 1.337 113 F HN -0.229 nan 8.300 nan 0.000 0.474 114 I N 2.497 123.415 120.570 0.581 0.000 2.534 114 I HA 0.487 4.658 4.170 0.001 0.000 0.288 114 I C -1.902 174.555 176.117 0.566 0.000 1.077 114 I CA -1.022 60.611 61.300 0.556 0.000 1.051 114 I CB 1.536 39.828 38.000 0.486 0.000 1.234 114 I HN 0.541 nan 8.210 nan 0.000 0.425 115 L N 8.324 129.904 121.223 0.595 0.000 2.290 115 L HA 0.491 4.832 4.340 0.001 0.000 0.284 115 L C -1.270 175.760 176.870 0.266 0.000 1.078 115 L CA 0.047 55.114 54.840 0.378 0.000 0.815 115 L CB 0.971 43.172 42.059 0.237 0.000 1.162 115 L HN 0.503 nan 8.230 nan 0.000 0.435 116 L N 5.289 126.612 121.223 0.167 0.000 2.287 116 L HA 0.486 4.827 4.340 0.001 0.000 0.287 116 L C -0.082 176.862 176.870 0.123 0.000 1.022 116 L CA -0.431 54.417 54.840 0.014 0.000 0.814 116 L CB 1.506 43.363 42.059 -0.336 0.000 1.217 116 L HN 0.634 nan 8.230 nan 0.000 0.420 117 E N 4.090 124.319 120.200 0.048 0.000 2.156 117 E HA 0.455 4.805 4.350 0.001 0.000 0.279 117 E C -1.589 175.011 176.600 -0.001 0.000 0.965 117 E CA -0.471 55.817 56.400 -0.186 0.000 0.789 117 E CB 1.137 30.767 29.700 -0.117 0.000 1.098 117 E HN 0.446 nan 8.360 nan 0.000 0.397 118 Y N 1.555 121.696 120.300 -0.264 0.000 2.728 118 Y HA 0.434 4.985 4.550 0.001 0.000 0.330 118 Y C -0.128 175.692 175.900 -0.134 0.000 1.234 118 Y CA -1.580 56.453 58.100 -0.111 0.000 1.070 118 Y CB 0.389 38.856 38.460 0.013 0.000 1.300 118 Y HN 0.518 nan 8.280 nan 0.000 0.467 119 N N -0.503 118.226 118.700 0.047 0.000 2.725 119 N HA -0.301 4.440 4.740 0.001 0.000 0.249 119 N C -0.895 174.591 175.510 -0.040 0.000 1.103 119 N CA 1.006 54.030 53.050 -0.044 0.000 0.707 119 N CB -1.610 36.747 38.487 -0.216 0.000 1.043 119 N HN 0.868 nan 8.380 nan 0.000 0.553 120 Y N 0.183 120.416 120.300 -0.112 0.000 2.717 120 Y HA 0.222 4.772 4.550 0.001 0.000 0.330 120 Y C 0.102 175.966 175.900 -0.061 0.000 1.217 120 Y CA 0.179 58.211 58.100 -0.114 0.000 1.506 120 Y CB 0.648 39.000 38.460 -0.180 0.000 1.268 120 Y HN -0.018 nan 8.280 nan 0.000 0.561 121 V N 7.893 127.432 119.914 -0.625 0.000 2.488 121 V HA 0.192 4.312 4.120 0.001 0.000 0.293 121 V C -0.397 175.316 176.094 -0.635 0.000 1.027 121 V CA -1.424 60.599 62.300 -0.462 0.000 0.862 121 V CB 1.388 33.083 31.823 -0.215 0.000 1.008 121 V HN 0.756 nan 8.190 nan 0.000 0.428 122 K N 3.601 123.648 120.400 -0.589 0.000 2.382 122 K HA 0.279 4.600 4.320 0.001 0.000 0.275 122 K C 0.377 176.817 176.600 -0.267 0.000 1.009 122 K CA 0.154 56.238 56.287 -0.338 0.000 0.970 122 K CB 1.285 33.772 32.500 -0.022 0.000 0.934 122 K HN 0.822 nan 8.250 nan 0.000 0.479 123 Q N 2.878 122.496 119.800 -0.303 0.000 2.729 123 Q HA 0.174 4.515 4.340 0.001 0.000 0.228 123 Q C -0.036 175.670 176.000 -0.491 0.000 1.021 123 Q CA -0.413 55.011 55.803 -0.632 0.000 0.561 123 Q CB 0.121 28.338 28.738 -0.868 0.000 3.921 123 Q HN 0.723 nan 8.270 nan 0.000 0.430 124 W N 0.274 121.567 121.300 -0.011 0.000 1.836 124 W HA 0.319 4.980 4.660 0.001 0.000 0.628 124 W C 1.863 178.364 176.519 -0.030 0.000 1.626 124 W CA -0.506 56.857 57.345 0.029 0.000 1.714 124 W CB -0.172 29.264 29.460 -0.040 0.000 3.166 124 W HN 0.341 nan 8.180 nan 0.000 0.772 125 R N -0.631 119.965 120.500 0.159 0.000 2.096 125 R HA -0.142 4.199 4.340 0.001 0.000 0.235 125 R C 1.687 177.820 176.300 -0.279 0.000 1.127 125 R CA 1.924 57.947 56.100 -0.129 0.000 0.968 125 R CB -0.432 29.669 30.300 -0.333 0.000 0.861 125 R HN 0.470 nan 8.270 nan 0.000 0.440 126 H N -1.002 118.134 119.070 0.111 0.000 2.927 126 H HA 0.206 4.763 4.556 0.001 0.000 0.255 126 H C 0.425 175.831 175.328 0.129 0.000 0.974 126 H CA 0.516 56.651 56.048 0.146 0.000 1.199 126 H CB 0.347 30.172 29.762 0.105 0.000 1.447 126 H HN 0.209 nan 8.280 nan 0.000 0.467 127 S N 1.224 116.904 115.700 -0.032 0.000 2.592 127 S HA 0.402 4.873 4.470 0.001 0.000 0.271 127 S C -0.299 174.176 174.600 -0.209 0.000 1.326 127 S CA -0.458 57.432 58.200 -0.516 0.000 1.024 127 S CB 0.862 63.264 63.200 -1.331 0.000 0.921 127 S HN 0.452 nan 8.310 nan 0.000 0.527 128 Y N -2.418 117.710 120.300 -0.287 0.000 2.774 128 Y HA 0.639 5.190 4.550 0.001 0.000 0.346 128 Y C -0.855 174.995 175.900 -0.082 0.000 1.222 128 Y CA -0.854 57.084 58.100 -0.271 0.000 1.088 128 Y CB 0.458 38.704 38.460 -0.356 0.000 1.354 128 Y HN 0.921 nan 8.280 nan 0.000 0.455 129 T N -0.135 114.464 114.554 0.075 0.000 2.916 129 T HA 1.028 5.378 4.350 0.001 0.000 0.292 129 T C -0.562 174.215 174.700 0.128 0.000 1.064 129 T CA -0.167 61.997 62.100 0.107 0.000 1.011 129 T CB 1.816 70.702 68.868 0.031 0.000 1.152 129 T HN 1.998 nan 8.240 nan 0.000 0.510 130 A N 0.814 123.691 122.820 0.095 0.000 2.540 130 A HA 0.778 5.098 4.320 0.001 0.000 0.291 130 A C -0.674 176.715 177.584 -0.325 0.000 1.083 130 A CA -0.982 50.966 52.037 -0.149 0.000 0.650 130 A CB 0.951 19.828 19.000 -0.206 0.000 1.292 130 A HN 0.907 nan 8.150 nan 0.000 0.435 131 S N -0.790 114.477 115.700 -0.722 0.000 2.638 131 S HA 0.849 5.320 4.470 0.001 0.000 0.298 131 S C -1.444 172.513 174.600 -1.072 0.000 1.111 131 S CA -0.119 57.585 58.200 -0.825 0.000 1.027 131 S CB 0.768 63.222 63.200 -1.243 0.000 1.064 131 S HN 0.477 nan 8.310 nan 0.000 0.525 132 Y N -0.170 119.891 120.300 -0.398 0.000 2.562 132 Y HA 0.543 5.094 4.550 0.001 0.000 0.345 132 Y C -0.322 175.617 175.900 0.065 0.000 1.045 132 Y CA -0.919 57.107 58.100 -0.124 0.000 1.028 132 Y CB 1.825 40.166 38.460 -0.198 0.000 1.297 132 Y HN 0.504 nan 8.280 nan 0.000 0.463 133 D N 1.468 122.072 120.400 0.340 0.000 2.756 133 D HA 0.536 5.177 4.640 0.001 0.000 0.226 133 D C -1.210 175.223 176.300 0.222 0.000 1.186 133 D CA -0.333 53.840 54.000 0.288 0.000 0.845 133 D CB 2.851 43.914 40.800 0.439 0.000 1.610 133 D HN 0.404 nan 8.370 nan 0.000 0.465 134 I N 1.743 122.431 120.570 0.197 0.000 2.404 134 I HA 0.280 4.450 4.170 0.001 0.000 0.293 134 I C -0.960 175.367 176.117 0.350 0.000 0.992 134 I CA -0.933 60.516 61.300 0.247 0.000 1.149 134 I CB 1.596 39.673 38.000 0.129 0.000 1.315 134 I HN 0.234 nan 8.210 nan 0.000 0.446 135 Y N 5.472 125.952 120.300 0.300 0.000 2.335 135 Y HA 0.294 4.845 4.550 0.001 0.000 0.338 135 Y C -0.209 175.916 175.900 0.375 0.000 0.977 135 Y CA -0.732 57.558 58.100 0.316 0.000 1.114 135 Y CB 1.153 39.831 38.460 0.363 0.000 1.182 135 Y HN 0.501 nan 8.280 nan 0.000 0.463 136 D N 6.089 126.400 120.400 -0.148 0.000 2.343 136 D HA 0.071 4.712 4.640 0.001 0.000 0.255 136 D C 0.605 176.630 176.300 -0.458 0.000 1.187 136 D CA 0.323 54.245 54.000 -0.129 0.000 0.875 136 D CB 1.127 41.881 40.800 -0.077 0.000 1.136 136 D HN 0.888 nan 8.370 nan 0.000 0.469 137 L N 3.790 124.843 121.223 -0.283 0.000 2.313 137 L HA -0.076 4.265 4.340 0.001 0.000 0.214 137 L C 2.125 178.847 176.870 -0.246 0.000 1.119 137 L CA 0.283 55.017 54.840 -0.177 0.000 0.809 137 L CB -0.201 41.777 42.059 -0.135 0.000 0.933 137 L HN 0.397 nan 8.230 nan 0.000 0.449 138 N N 1.362 119.876 118.700 -0.309 0.000 2.081 138 N HA -0.160 4.581 4.740 0.001 0.000 0.191 138 N C 1.490 176.884 175.510 -0.193 0.000 1.053 138 N CA 1.340 54.246 53.050 -0.240 0.000 0.846 138 N CB -0.252 38.081 38.487 -0.256 0.000 1.032 138 N HN 0.411 nan 8.380 nan 0.000 0.431 139 K N 1.295 121.575 120.400 -0.199 0.000 2.569 139 K HA 0.142 4.463 4.320 0.001 0.000 0.193 139 K C -0.241 176.249 176.600 -0.185 0.000 1.026 139 K CA -0.035 56.161 56.287 -0.152 0.000 1.093 139 K CB 0.243 32.675 32.500 -0.113 0.000 0.849 139 K HN -0.115 nan 8.250 nan 0.000 0.509 140 R N 1.079 121.423 120.500 -0.259 0.000 3.484 140 R HA -0.174 4.167 4.340 0.001 0.000 0.260 140 R C -0.862 175.232 176.300 -0.343 0.000 1.053 140 R CA 0.937 56.883 56.100 -0.257 0.000 0.703 140 R CB -2.330 27.944 30.300 -0.042 0.000 1.089 140 R HN 0.640 nan 8.270 nan 0.000 0.459 141 Q N -0.211 119.256 119.800 -0.556 0.000 2.387 141 Q HA 0.466 4.807 4.340 0.001 0.000 0.273 141 Q C -0.472 175.342 176.000 -0.310 0.000 1.089 141 Q CA -1.273 54.363 55.803 -0.279 0.000 0.824 141 Q CB 2.243 30.917 28.738 -0.107 0.000 1.367 141 Q HN 0.064 nan 8.270 nan 0.000 0.443 142 L N 2.504 123.796 121.223 0.115 0.000 2.276 142 L HA 0.362 4.703 4.340 0.001 0.000 0.286 142 L C -0.587 176.381 176.870 0.162 0.000 1.061 142 L CA 0.021 55.044 54.840 0.305 0.000 0.807 142 L CB 0.624 42.949 42.059 0.443 0.000 1.177 142 L HN 0.516 nan 8.230 nan 0.000 0.429 143 I N 4.703 125.361 120.570 0.147 0.000 2.517 143 I HA 0.067 4.238 4.170 0.001 0.000 0.285 143 I C 0.985 177.150 176.117 0.079 0.000 1.106 143 I CA 0.215 61.566 61.300 0.085 0.000 1.402 143 I CB 0.652 38.684 38.000 0.054 0.000 1.399 143 I HN 0.779 nan 8.210 nan 0.000 0.535 144 T N 1.026 115.610 114.554 0.052 0.000 3.023 144 T HA 0.127 4.477 4.350 0.001 0.000 0.253 144 T C 0.449 175.153 174.700 0.005 0.000 1.038 144 T CA -0.419 61.703 62.100 0.038 0.000 0.962 144 T CB -0.092 68.799 68.868 0.039 0.000 1.018 144 T HN 0.677 nan 8.240 nan 0.000 0.521 145 E N 1.599 121.795 120.200 -0.006 0.000 2.214 145 E HA 0.364 4.715 4.350 0.001 0.000 0.274 145 E C -0.681 175.888 176.600 -0.051 0.000 0.977 145 E CA -0.939 55.445 56.400 -0.027 0.000 0.827 145 E CB 0.693 30.381 29.700 -0.021 0.000 1.130 145 E HN -0.051 nan 8.360 nan 0.000 0.394 146 E N 1.100 121.258 120.200 -0.070 0.000 2.269 146 E HA -0.237 4.113 4.350 0.001 0.000 0.223 146 E C -0.550 175.971 176.600 -0.132 0.000 1.244 146 E CA 0.846 57.185 56.400 -0.100 0.000 0.713 146 E CB -1.522 28.126 29.700 -0.086 0.000 1.178 146 E HN 0.653 nan 8.360 nan 0.000 0.370 147 R N -0.328 120.089 120.500 -0.137 0.000 2.641 147 R HA 0.490 4.830 4.340 0.001 0.000 0.269 147 R C 1.019 177.137 176.300 -0.303 0.000 1.074 147 R CA -0.685 55.316 56.100 -0.166 0.000 1.133 147 R CB 0.603 30.847 30.300 -0.094 0.000 1.029 147 R HN 0.010 nan 8.270 nan 0.000 0.488 148 I N 2.457 122.797 120.570 -0.383 0.000 2.775 148 I HA -0.011 4.160 4.170 0.001 0.000 0.290 148 I C -1.726 174.061 176.117 -0.550 0.000 1.203 148 I CA -1.437 59.453 61.300 -0.683 0.000 1.433 148 I CB 0.152 37.739 38.000 -0.688 0.000 1.354 148 I HN 0.392 nan 8.210 nan 0.000 0.579 149 P HA 0.078 nan 4.420 nan 0.000 0.272 149 P C -0.682 176.405 177.300 -0.355 0.000 1.240 149 P CA -0.367 62.331 63.100 -0.670 0.000 0.791 149 P CB 0.422 31.275 31.700 -1.412 0.000 0.978 150 N N 2.031 120.618 118.700 -0.189 0.000 2.467 150 N HA 0.047 4.787 4.740 0.001 0.000 0.262 150 N C 0.305 175.894 175.510 0.132 0.000 1.234 150 N CA 0.170 53.180 53.050 -0.066 0.000 0.952 150 N CB -0.093 38.364 38.487 -0.051 0.000 1.158 150 N HN 0.424 nan 8.380 nan 0.000 0.463 151 N N -0.627 118.123 118.700 0.084 0.000 2.747 151 N HA -0.155 4.586 4.740 0.001 0.000 0.249 151 N C -0.754 174.925 175.510 0.282 0.000 1.107 151 N CA 0.724 53.863 53.050 0.148 0.000 0.707 151 N CB -1.655 36.922 38.487 0.150 0.000 1.054 151 N HN 0.471 nan 8.380 nan 0.000 0.555 152 T N 0.846 115.567 114.554 0.279 0.000 2.901 152 T HA 0.105 4.455 4.350 0.001 0.000 0.301 152 T C 1.698 176.558 174.700 0.267 0.000 1.012 152 T CA 0.125 62.415 62.100 0.317 0.000 1.135 152 T CB 1.058 70.008 68.868 0.137 0.000 0.936 152 T HN 0.168 nan 8.240 nan 0.000 0.539 153 Q N 1.860 121.808 119.800 0.247 0.000 2.354 153 Q HA 0.160 4.500 4.340 0.001 0.000 0.203 153 Q C 0.107 176.275 176.000 0.280 0.000 0.933 153 Q CA 0.354 56.313 55.803 0.260 0.000 0.901 153 Q CB 0.747 29.613 28.738 0.213 0.000 1.007 153 Q HN 0.697 nan 8.270 nan 0.000 0.495 154 W N -0.537 120.724 121.300 -0.065 0.000 3.700 154 W HA 0.449 5.110 4.660 0.001 0.000 0.279 154 W C -2.421 173.998 176.519 -0.166 0.000 1.270 154 W CA -0.711 56.545 57.345 -0.147 0.000 1.216 154 W CB 0.981 30.297 29.460 -0.240 0.000 1.292 154 W HN -0.298 nan 8.180 nan 0.000 0.557 155 V N 4.368 123.542 119.914 -1.234 0.000 3.012 155 V HA 0.833 4.954 4.120 0.001 0.000 0.307 155 V C -1.555 173.910 176.094 -1.048 0.000 1.166 155 V CA -0.060 61.678 62.300 -0.936 0.000 0.974 155 V CB 2.298 33.512 31.823 -1.015 0.000 1.040 155 V HN 0.639 nan 8.190 nan 0.000 0.428 156 T N 5.251 119.510 114.554 -0.491 0.000 3.097 156 T HA 0.503 4.854 4.350 0.001 0.000 0.332 156 T C -1.381 173.366 174.700 0.078 0.000 1.269 156 T CA -0.313 61.682 62.100 -0.174 0.000 1.076 156 T CB 0.788 69.772 68.868 0.194 0.000 1.209 156 T HN 0.716 nan 8.240 nan 0.000 0.474 157 W N 3.128 124.484 121.300 0.093 0.000 2.126 157 W HA 0.475 5.136 4.660 0.001 0.000 0.346 157 W C 1.231 177.647 176.519 -0.171 0.000 1.279 157 W CA -0.539 56.818 57.345 0.021 0.000 1.259 157 W CB 0.580 30.038 29.460 -0.003 0.000 1.133 157 W HN 0.796 nan 8.180 nan 0.000 0.592 158 S N 1.854 117.320 115.700 -0.390 0.000 2.600 158 S HA 0.116 4.587 4.470 0.001 0.000 0.265 158 S C -1.438 172.891 174.600 -0.453 0.000 1.325 158 S CA -0.996 56.381 58.200 -1.372 0.000 1.002 158 S CB 0.852 63.168 63.200 -1.474 0.000 0.921 158 S HN 0.408 nan 8.310 nan 0.000 0.554 159 P HA 0.039 nan 4.420 nan 0.000 0.222 159 P C 0.001 177.249 177.300 -0.088 0.000 1.147 159 P CA 0.689 63.742 63.100 -0.077 0.000 0.790 159 P CB 0.037 31.739 31.700 0.003 0.000 0.780 160 V N -1.201 118.611 119.914 -0.170 0.000 2.823 160 V HA 0.629 4.750 4.120 0.001 0.000 0.312 160 V C 0.881 176.858 176.094 -0.195 0.000 1.072 160 V CA 0.173 62.390 62.300 -0.138 0.000 0.937 160 V CB 0.993 32.746 31.823 -0.116 0.000 1.013 160 V HN 0.462 nan 8.190 nan 0.000 0.430 161 G N 3.305 112.005 108.800 -0.167 0.000 2.527 161 G HA2 -0.220 3.741 3.960 0.001 0.000 0.268 161 G HA3 -0.220 3.741 3.960 0.001 0.000 0.268 161 G C -0.026 174.765 174.900 -0.181 0.000 1.175 161 G CA 1.078 46.032 45.100 -0.242 0.000 0.962 161 G HN 2.237 nan 8.290 nan 0.000 0.560 162 H N -0.841 118.229 119.070 0.001 0.000 3.204 162 H HA 0.588 5.145 4.556 0.001 0.000 0.240 162 H C 0.235 175.745 175.328 0.304 0.000 1.259 162 H CA -0.060 56.053 56.048 0.108 0.000 0.991 162 H CB -0.593 29.266 29.762 0.161 0.000 2.583 162 H HN 0.624 nan 8.280 nan 0.000 0.638 163 K N 1.008 121.526 120.400 0.195 0.000 2.168 163 K HA 0.534 4.854 4.320 0.001 0.000 0.258 163 K C -0.617 176.154 176.600 0.284 0.000 1.010 163 K CA -0.559 55.840 56.287 0.186 0.000 0.929 163 K CB 1.290 33.753 32.500 -0.062 0.000 0.998 163 K HN 0.134 nan 8.250 nan 0.000 0.479 164 L N 0.853 122.247 121.223 0.284 0.000 2.401 164 L HA 0.576 4.917 4.340 0.001 0.000 0.266 164 L C -1.075 175.999 176.870 0.340 0.000 0.991 164 L CA -0.790 54.160 54.840 0.183 0.000 0.818 164 L CB 2.195 44.181 42.059 -0.121 0.000 1.321 164 L HN 0.709 nan 8.230 nan 0.000 0.413 165 A N 2.423 125.423 122.820 0.300 0.000 2.356 165 A HA 0.829 5.150 4.320 0.001 0.000 0.310 165 A C -1.617 175.984 177.584 0.028 0.000 1.075 165 A CA -0.383 51.707 52.037 0.089 0.000 0.746 165 A CB 1.122 20.055 19.000 -0.111 0.000 1.221 165 A HN 0.643 nan 8.150 nan 0.000 0.443 166 Y N -0.476 119.775 120.300 -0.082 0.000 2.588 166 Y HA 0.788 5.338 4.550 0.001 0.000 0.343 166 Y C -1.146 174.768 175.900 0.024 0.000 1.065 166 Y CA -1.600 56.433 58.100 -0.112 0.000 1.038 166 Y CB 1.160 39.480 38.460 -0.234 0.000 1.297 166 Y HN 0.391 nan 8.280 nan 0.000 0.467 167 V N 2.030 122.066 119.914 0.203 0.000 2.495 167 V HA 0.414 4.535 4.120 0.001 0.000 0.298 167 V C -1.445 174.868 176.094 0.364 0.000 1.031 167 V CA -0.632 61.769 62.300 0.168 0.000 0.871 167 V CB 1.436 33.279 31.823 0.034 0.000 0.988 167 V HN 0.888 nan 8.190 nan 0.000 0.432 168 W N 4.707 126.100 121.300 0.155 0.000 3.259 168 W HA 0.456 5.117 4.660 0.001 0.000 0.331 168 W C 0.207 176.781 176.519 0.091 0.000 1.144 168 W CA -0.741 56.673 57.345 0.114 0.000 1.227 168 W CB 1.259 30.761 29.460 0.071 0.000 1.371 168 W HN 0.777 nan 8.180 nan 0.000 0.491 169 N N 5.302 123.678 118.700 -0.539 0.000 2.721 169 N HA -0.352 4.389 4.740 0.001 0.000 0.249 169 N C 0.166 175.525 175.510 -0.251 0.000 1.072 169 N CA 1.051 53.769 53.050 -0.553 0.000 0.710 169 N CB -1.120 36.833 38.487 -0.890 0.000 0.993 169 N HN 0.828 nan 8.380 nan 0.000 0.547 170 N N -1.977 116.640 118.700 -0.140 0.000 2.828 170 N HA -0.169 4.571 4.740 0.001 0.000 0.248 170 N C -1.254 174.191 175.510 -0.108 0.000 1.044 170 N CA 1.074 54.060 53.050 -0.107 0.000 0.851 170 N CB -0.357 38.027 38.487 -0.172 0.000 1.136 170 N HN 0.427 nan 8.380 nan 0.000 0.572 171 D N 0.452 120.797 120.400 -0.092 0.000 2.350 171 D HA 0.510 5.151 4.640 0.001 0.000 0.238 171 D C 0.116 176.252 176.300 -0.274 0.000 0.989 171 D CA -0.356 53.506 54.000 -0.229 0.000 0.921 171 D CB 1.610 42.211 40.800 -0.333 0.000 1.297 171 D HN 0.021 nan 8.370 nan 0.000 0.490 172 I N 1.702 121.952 120.570 -0.533 0.000 2.353 172 I HA 0.247 4.418 4.170 0.001 0.000 0.293 172 I C -0.739 174.920 176.117 -0.763 0.000 0.992 172 I CA -0.510 60.460 61.300 -0.550 0.000 1.268 172 I CB 0.605 38.199 38.000 -0.676 0.000 1.387 172 I HN 0.149 nan 8.210 nan 0.000 0.478 173 Y N 4.340 124.258 120.300 -0.636 0.000 2.499 173 Y HA 0.644 5.195 4.550 0.001 0.000 0.347 173 Y C -0.283 175.276 175.900 -0.568 0.000 0.987 173 Y CA -0.960 56.732 58.100 -0.680 0.000 1.044 173 Y CB 2.057 39.860 38.460 -1.094 0.000 1.245 173 Y HN 0.117 nan 8.280 nan 0.000 0.461 174 V N 2.703 122.559 119.914 -0.097 0.000 2.588 174 V HA 0.461 4.581 4.120 0.001 0.000 0.304 174 V C -0.920 175.313 176.094 0.232 0.000 1.042 174 V CA -1.364 60.976 62.300 0.067 0.000 0.877 174 V CB 2.054 33.931 31.823 0.089 0.000 0.996 174 V HN 0.621 nan 8.190 nan 0.000 0.425 175 K N 4.325 124.872 120.400 0.244 0.000 2.358 175 K HA 0.512 4.832 4.320 0.001 0.000 0.260 175 K C 0.386 177.138 176.600 0.253 0.000 0.956 175 K CA -0.719 55.706 56.287 0.231 0.000 0.834 175 K CB 1.793 34.384 32.500 0.151 0.000 1.102 175 K HN 0.428 nan 8.250 nan 0.000 0.431 176 I N 1.377 122.117 120.570 0.284 0.000 2.500 176 I HA -0.054 4.117 4.170 0.001 0.000 0.252 176 I C 0.262 176.522 176.117 0.238 0.000 1.142 176 I CA 1.397 62.845 61.300 0.246 0.000 1.451 176 I CB -0.284 37.868 38.000 0.253 0.000 1.093 176 I HN 0.575 nan 8.210 nan 0.000 0.430 177 E N -0.412 119.890 120.200 0.170 0.000 2.292 177 E HA 0.282 4.632 4.350 0.001 0.000 0.272 177 E C -1.961 174.609 176.600 -0.049 0.000 0.881 177 E CA -1.940 54.507 56.400 0.078 0.000 0.754 177 E CB 1.825 31.568 29.700 0.071 0.000 1.201 177 E HN -0.177 nan 8.360 nan 0.000 0.425 178 P HA -0.191 nan 4.420 nan 0.000 0.217 178 P C 0.897 178.100 177.300 -0.162 0.000 1.148 178 P CA 1.407 64.340 63.100 -0.279 0.000 0.828 178 P CB 0.305 31.612 31.700 -0.654 0.000 0.783 179 N N -1.225 117.400 118.700 -0.124 0.000 2.353 179 N HA -0.005 4.736 4.740 0.001 0.000 0.185 179 N C 0.309 175.793 175.510 -0.044 0.000 1.098 179 N CA 0.206 53.219 53.050 -0.062 0.000 0.872 179 N CB -0.172 38.297 38.487 -0.030 0.000 0.970 179 N HN 0.181 nan 8.380 nan 0.000 0.467 180 L N 1.865 123.067 121.223 -0.034 0.000 2.379 180 L HA 0.428 4.769 4.340 0.001 0.000 0.269 180 L C -1.996 174.837 176.870 -0.062 0.000 1.084 180 L CA -2.058 52.763 54.840 -0.031 0.000 0.802 180 L CB 1.093 43.155 42.059 0.006 0.000 1.175 180 L HN -0.084 nan 8.230 nan 0.000 0.448 181 P HA 0.018 nan 4.420 nan 0.000 0.269 181 P C -0.734 176.444 177.300 -0.203 0.000 1.215 181 P CA -0.301 62.714 63.100 -0.141 0.000 0.780 181 P CB 0.797 32.404 31.700 -0.155 0.000 0.898 182 S N 1.646 117.272 115.700 -0.124 0.000 2.610 182 S HA 0.380 4.851 4.470 0.001 0.000 0.273 182 S C -0.653 173.866 174.600 -0.136 0.000 1.274 182 S CA -0.481 57.689 58.200 -0.050 0.000 1.023 182 S CB 0.109 63.376 63.200 0.113 0.000 0.962 182 S HN 0.301 nan 8.310 nan 0.000 0.523 183 Y N 0.677 121.004 120.300 0.044 0.000 2.326 183 Y HA 0.431 4.982 4.550 0.001 0.000 0.337 183 Y C 0.876 176.707 175.900 -0.114 0.000 1.023 183 Y CA -0.738 57.365 58.100 0.005 0.000 1.143 183 Y CB 0.953 39.414 38.460 0.003 0.000 1.183 183 Y HN 0.693 nan 8.280 nan 0.000 0.485 184 R N 3.687 124.142 120.500 -0.075 0.000 2.316 184 R HA 0.198 4.538 4.340 0.001 0.000 0.314 184 R C 0.203 176.240 176.300 -0.439 0.000 1.069 184 R CA -0.050 55.691 56.100 -0.598 0.000 0.959 184 R CB 0.263 30.020 30.300 -0.904 0.000 0.987 184 R HN 0.767 nan 8.270 nan 0.000 0.446 185 I N 2.409 122.634 120.570 -0.575 0.000 2.731 185 I HA -0.022 4.149 4.170 0.001 0.000 0.260 185 I C 1.013 176.917 176.117 -0.355 0.000 1.138 185 I CA 0.952 62.030 61.300 -0.370 0.000 1.461 185 I CB -0.649 37.088 38.000 -0.439 0.000 1.128 185 I HN 0.670 nan 8.210 nan 0.000 0.438 186 T N -3.969 110.241 114.554 -0.573 0.000 2.907 186 T HA 0.411 4.762 4.350 0.001 0.000 0.292 186 T C -0.622 173.770 174.700 -0.513 0.000 1.043 186 T CA -0.522 61.350 62.100 -0.379 0.000 1.003 186 T CB 2.000 70.636 68.868 -0.386 0.000 1.084 186 T HN 0.161 nan 8.240 nan 0.000 0.483 187 W N 0.053 121.244 121.300 -0.182 0.000 2.534 187 W HA 0.234 4.895 4.660 0.001 0.000 0.339 187 W C 1.859 178.323 176.519 -0.091 0.000 0.961 187 W CA -0.109 57.162 57.345 -0.123 0.000 1.545 187 W CB 0.175 29.583 29.460 -0.087 0.000 1.104 187 W HN 0.910 nan 8.180 nan 0.000 0.538 188 T N -2.565 112.029 114.554 0.067 0.000 3.107 188 T HA 0.255 4.606 4.350 0.001 0.000 0.249 188 T C 1.271 175.965 174.700 -0.009 0.000 1.096 188 T CA 0.211 62.335 62.100 0.039 0.000 1.012 188 T CB -0.176 68.712 68.868 0.034 0.000 0.977 188 T HN 0.021 nan 8.240 nan 0.000 0.527 189 G N 1.467 110.232 108.800 -0.059 0.000 2.225 189 G HA2 0.323 4.284 3.960 0.001 0.000 0.245 189 G HA3 0.323 4.284 3.960 0.001 0.000 0.245 189 G C -0.561 174.276 174.900 -0.103 0.000 1.249 189 G CA -0.357 44.685 45.100 -0.096 0.000 0.919 189 G HN 0.544 nan 8.290 nan 0.000 0.486 190 K N 2.353 122.672 120.400 -0.135 0.000 2.581 190 K HA 0.167 4.488 4.320 0.001 0.000 0.249 190 K C -0.073 176.403 176.600 -0.206 0.000 0.966 190 K CA -0.681 55.526 56.287 -0.133 0.000 0.811 190 K CB 1.520 33.977 32.500 -0.072 0.000 1.223 190 K HN 0.616 nan 8.250 nan 0.000 0.438 191 E N 3.323 123.409 120.200 -0.190 0.000 2.765 191 E HA -0.180 4.171 4.350 0.001 0.000 0.256 191 E C -0.571 175.928 176.600 -0.169 0.000 0.935 191 E CA 1.146 57.429 56.400 -0.195 0.000 0.954 191 E CB 0.235 29.862 29.700 -0.122 0.000 0.908 191 E HN 0.678 nan 8.360 nan 0.000 0.500 192 D N 2.504 122.775 120.400 -0.215 0.000 3.077 192 D HA -0.241 4.400 4.640 0.001 0.000 0.217 192 D C 0.542 176.860 176.300 0.029 0.000 1.162 192 D CA 1.234 55.231 54.000 -0.005 0.000 0.943 192 D CB -0.445 40.404 40.800 0.082 0.000 1.122 192 D HN 0.411 nan 8.370 nan 0.000 0.413 193 I N -1.080 119.410 120.570 -0.133 0.000 3.669 193 I HA 0.103 4.274 4.170 0.001 0.000 0.255 193 I C 0.749 176.915 176.117 0.083 0.000 1.144 193 I CA 0.380 61.700 61.300 0.034 0.000 1.447 193 I CB 0.103 38.110 38.000 0.012 0.000 1.622 193 I HN -0.142 nan 8.210 nan 0.000 0.435 194 I N 1.861 122.396 120.570 -0.060 0.000 2.362 194 I HA 0.279 4.449 4.170 0.001 0.000 0.289 194 I C -1.243 174.856 176.117 -0.030 0.000 0.994 194 I CA -0.581 60.758 61.300 0.065 0.000 1.158 194 I CB 0.879 38.906 38.000 0.044 0.000 1.315 194 I HN 0.044 nan 8.210 nan 0.000 0.451 195 Y N 4.646 125.042 120.300 0.159 0.000 2.328 195 Y HA 0.413 4.964 4.550 0.001 0.000 0.333 195 Y C 0.342 176.319 175.900 0.129 0.000 0.958 195 Y CA -0.866 57.329 58.100 0.158 0.000 1.167 195 Y CB 1.133 39.753 38.460 0.266 0.000 1.151 195 Y HN 0.409 nan 8.280 nan 0.000 0.470 196 N N 2.096 120.878 118.700 0.137 0.000 2.444 196 N HA 0.354 5.095 4.740 0.001 0.000 0.262 196 N C 0.843 176.316 175.510 -0.062 0.000 0.974 196 N CA 0.432 53.498 53.050 0.027 0.000 0.933 196 N CB 1.889 40.292 38.487 -0.140 0.000 1.137 196 N HN 0.986 nan 8.380 nan 0.000 0.498 197 G N 1.600 110.386 108.800 -0.023 0.000 2.184 197 G HA2 -0.262 3.699 3.960 0.001 0.000 0.264 197 G HA3 -0.262 3.699 3.960 0.001 0.000 0.264 197 G C 0.144 174.894 174.900 -0.250 0.000 0.975 197 G CA 0.852 45.857 45.100 -0.159 0.000 0.642 197 G HN 0.668 nan 8.290 nan 0.000 0.536 198 I N -1.997 118.488 120.570 -0.142 0.000 2.969 198 I HA 0.823 4.994 4.170 0.001 0.000 0.307 198 I C 0.265 176.368 176.117 -0.023 0.000 1.149 198 I CA -0.660 60.434 61.300 -0.343 0.000 1.008 198 I CB 2.034 39.626 38.000 -0.681 0.000 1.232 198 I HN 0.164 nan 8.210 nan 0.000 0.435 199 T N -0.469 114.002 114.554 -0.138 0.000 2.918 199 T HA 0.392 4.742 4.350 0.001 0.000 0.283 199 T C -0.226 174.260 174.700 -0.357 0.000 1.001 199 T CA -0.676 61.205 62.100 -0.364 0.000 1.041 199 T CB 1.332 70.078 68.868 -0.202 0.000 1.028 199 T HN 0.768 nan 8.240 nan 0.000 0.511 200 D N 0.109 120.040 120.400 -0.782 0.000 2.451 200 D HA 0.027 4.668 4.640 0.001 0.000 0.259 200 D C 0.940 177.160 176.300 -0.133 0.000 1.201 200 D CA -1.094 52.465 54.000 -0.736 0.000 1.028 200 D CB 0.254 40.569 40.800 -0.808 0.000 1.095 200 D HN 0.716 nan 8.370 nan 0.000 0.539 201 W N 0.368 121.616 121.300 -0.088 0.000 2.317 201 W HA -0.243 4.418 4.660 0.001 0.000 0.318 201 W C 2.168 178.597 176.519 -0.149 0.000 1.227 201 W CA 2.458 59.751 57.345 -0.086 0.000 1.269 201 W CB -0.435 28.912 29.460 -0.188 0.000 1.155 201 W HN 0.207 nan 8.180 nan 0.000 0.484 202 V N -0.255 119.771 119.914 0.186 0.000 2.548 202 V HA -0.280 3.841 4.120 0.001 0.000 0.249 202 V C 1.838 177.793 176.094 -0.231 0.000 1.055 202 V CA 1.967 64.263 62.300 -0.006 0.000 1.065 202 V CB -0.721 31.084 31.823 -0.030 0.000 0.681 202 V HN 0.307 nan 8.190 nan 0.000 0.462 203 Y N 0.601 120.744 120.300 -0.262 0.000 2.263 203 Y HA -0.157 4.394 4.550 0.001 0.000 0.292 203 Y C 2.585 178.386 175.900 -0.165 0.000 1.130 203 Y CA 2.106 60.049 58.100 -0.262 0.000 1.179 203 Y CB -0.010 38.169 38.460 -0.469 0.000 0.998 203 Y HN 0.379 nan 8.280 nan 0.000 0.532 204 E N 0.313 120.482 120.200 -0.053 0.000 2.031 204 E HA -0.288 4.063 4.350 0.001 0.000 0.193 204 E C 2.026 178.581 176.600 -0.074 0.000 0.994 204 E CA 1.532 57.923 56.400 -0.014 0.000 0.800 204 E CB -0.002 29.681 29.700 -0.028 0.000 0.752 204 E HN 0.397 nan 8.360 nan 0.000 0.447 205 E N 0.293 120.270 120.200 -0.372 0.000 2.046 205 E HA -0.163 4.187 4.350 0.001 0.000 0.190 205 E C 1.700 178.192 176.600 -0.179 0.000 0.982 205 E CA 1.620 57.787 56.400 -0.388 0.000 0.800 205 E CB 0.139 29.270 29.700 -0.948 0.000 0.756 205 E HN 0.239 nan 8.360 nan 0.000 0.449 206 E N -0.783 119.292 120.200 -0.208 0.000 2.389 206 E HA 0.083 4.434 4.350 0.001 0.000 0.199 206 E C 1.840 178.324 176.600 -0.193 0.000 0.978 206 E CA 0.389 56.711 56.400 -0.131 0.000 0.912 206 E CB 0.820 30.438 29.700 -0.137 0.000 0.907 206 E HN 0.197 nan 8.360 nan 0.000 0.494 207 V N -0.160 119.578 119.914 -0.293 0.000 2.735 207 V HA 0.020 4.140 4.120 0.001 0.000 0.234 207 V C 1.597 177.471 176.094 -0.367 0.000 1.121 207 V CA 0.795 62.834 62.300 -0.435 0.000 1.160 207 V CB -0.347 31.052 31.823 -0.706 0.000 0.908 207 V HN 0.020 nan 8.190 nan 0.000 0.495 208 F N 0.509 120.485 119.950 0.044 0.000 2.664 208 F HA 0.261 4.788 4.527 0.001 0.000 0.296 208 F C 1.673 177.440 175.800 -0.055 0.000 1.125 208 F CA 0.399 58.429 58.000 0.050 0.000 1.444 208 F CB -0.424 38.640 39.000 0.106 0.000 1.114 208 F HN 0.079 nan 8.300 nan 0.000 0.576 209 S N 0.264 115.990 115.700 0.043 0.000 3.614 209 S HA 0.006 4.477 4.470 0.001 0.000 0.360 209 S C 0.001 174.241 174.600 -0.599 0.000 1.023 209 S CA 0.395 58.504 58.200 -0.153 0.000 1.114 209 S CB -1.529 61.626 63.200 -0.075 0.000 0.907 209 S HN 0.670 nan 8.310 nan 0.000 0.470 210 A N -0.529 122.131 122.820 -0.267 0.000 2.608 210 A HA 0.682 5.003 4.320 0.001 0.000 0.292 210 A C -0.375 177.171 177.584 -0.063 0.000 1.066 210 A CA -0.430 51.447 52.037 -0.267 0.000 0.676 210 A CB 0.334 19.194 19.000 -0.234 0.000 1.277 210 A HN 0.389 nan 8.150 nan 0.000 0.413 211 Y N 1.723 121.853 120.300 -0.284 0.000 2.448 211 Y HA 0.155 4.706 4.550 0.001 0.000 0.289 211 Y C 1.501 177.089 175.900 -0.519 0.000 1.114 211 Y CA 0.788 58.724 58.100 -0.273 0.000 1.235 211 Y CB 0.005 38.356 38.460 -0.181 0.000 1.045 211 Y HN 0.759 nan 8.280 nan 0.000 0.554 212 S N 0.608 115.751 115.700 -0.929 0.000 2.565 212 S HA 0.546 5.016 4.470 0.001 0.000 0.276 212 S C 0.253 174.285 174.600 -0.945 0.000 1.326 212 S CA -0.147 57.281 58.200 -1.287 0.000 1.045 212 S CB 1.454 63.429 63.200 -2.041 0.000 0.918 212 S HN 0.434 nan 8.310 nan 0.000 0.505 213 A N 3.734 126.031 122.820 -0.871 0.000 2.959 213 A HA 0.571 4.891 4.320 0.001 0.000 0.280 213 A C -0.376 176.552 177.584 -1.092 0.000 0.953 213 A CA -0.622 50.857 52.037 -0.930 0.000 1.047 213 A CB -0.149 18.769 19.000 -0.136 0.000 1.147 213 A HN 0.803 nan 8.150 nan 0.000 0.489 214 L N 0.149 120.577 121.223 -1.326 0.000 2.381 214 L HA 0.624 4.965 4.340 0.001 0.000 0.268 214 L C -1.153 175.231 176.870 -0.811 0.000 0.997 214 L CA -0.592 53.800 54.840 -0.746 0.000 0.818 214 L CB 2.078 43.891 42.059 -0.409 0.000 1.310 214 L HN 0.467 nan 8.230 nan 0.000 0.416 215 W N 2.199 123.530 121.300 0.053 0.000 2.664 215 W HA 0.215 4.876 4.660 0.001 0.000 0.314 215 W C -1.160 175.604 176.519 0.408 0.000 1.010 215 W CA -1.029 56.475 57.345 0.265 0.000 1.306 215 W CB 1.239 30.900 29.460 0.335 0.000 1.254 215 W HN 0.496 nan 8.180 nan 0.000 0.404 216 W N 2.627 124.151 121.300 0.373 0.000 2.181 216 W HA 0.188 4.849 4.660 0.001 0.000 0.335 216 W C 1.419 177.792 176.519 -0.242 0.000 1.310 216 W CA 0.412 57.840 57.345 0.139 0.000 1.226 216 W CB 0.792 30.299 29.460 0.079 0.000 1.155 216 W HN 0.190 nan 8.180 nan 0.000 0.565 217 S N 2.829 118.275 115.700 -0.423 0.000 2.596 217 S HA 0.141 4.612 4.470 0.001 0.000 0.260 217 S C -1.704 172.596 174.600 -0.500 0.000 1.336 217 S CA -0.942 56.357 58.200 -1.500 0.000 0.993 217 S CB 0.882 63.302 63.200 -1.299 0.000 0.923 217 S HN 0.300 nan 8.310 nan 0.000 0.567 218 P HA -0.160 nan 4.420 nan 0.000 0.216 218 P C 0.878 178.134 177.300 -0.074 0.000 1.157 218 P CA 1.727 64.777 63.100 -0.084 0.000 0.880 218 P CB -0.216 31.489 31.700 0.009 0.000 0.791 219 N N -2.264 116.379 118.700 -0.096 0.000 2.280 219 N HA 0.139 4.880 4.740 0.001 0.000 0.192 219 N C 1.106 176.524 175.510 -0.152 0.000 1.109 219 N CA 0.593 53.584 53.050 -0.098 0.000 0.855 219 N CB -0.583 37.862 38.487 -0.069 0.000 0.974 219 N HN 0.202 nan 8.380 nan 0.000 0.482 220 G N -1.077 107.633 108.800 -0.151 0.000 2.175 220 G HA2 -0.328 3.632 3.960 0.001 0.000 0.244 220 G HA3 -0.328 3.632 3.960 0.001 0.000 0.244 220 G C 0.978 175.871 174.900 -0.011 0.000 0.982 220 G CA 0.621 45.617 45.100 -0.173 0.000 0.641 220 G HN 0.354 nan 8.290 nan 0.000 0.527 221 T N 0.247 114.738 114.554 -0.105 0.000 2.674 221 T HA 0.165 4.516 4.350 0.001 0.000 0.265 221 T C 0.952 175.509 174.700 -0.238 0.000 1.039 221 T CA 1.431 63.379 62.100 -0.255 0.000 1.150 221 T CB -0.108 68.460 68.868 -0.501 0.000 0.864 221 T HN 0.301 nan 8.240 nan 0.000 0.427 222 F N 0.142 120.135 119.950 0.071 0.000 2.440 222 F HA 0.636 5.164 4.527 0.001 0.000 0.328 222 F C -0.176 175.740 175.800 0.195 0.000 1.070 222 F CA -1.577 56.516 58.000 0.156 0.000 1.011 222 F CB 1.067 40.231 39.000 0.273 0.000 1.226 222 F HN -0.100 nan 8.300 nan 0.000 0.491 223 L N 2.358 123.793 121.223 0.354 0.000 2.415 223 L HA 0.765 5.106 4.340 0.001 0.000 0.268 223 L C -0.694 176.301 176.870 0.209 0.000 0.984 223 L CA -0.463 54.413 54.840 0.060 0.000 0.853 223 L CB 0.732 42.542 42.059 -0.416 0.000 1.215 223 L HN 0.663 nan 8.230 nan 0.000 0.419 224 A N 4.426 127.439 122.820 0.321 0.000 2.293 224 A HA 0.801 5.122 4.320 0.001 0.000 0.302 224 A C -1.339 176.335 177.584 0.150 0.000 1.119 224 A CA -0.156 51.912 52.037 0.051 0.000 0.823 224 A CB 0.562 19.597 19.000 0.059 0.000 1.097 224 A HN 0.928 nan 8.150 nan 0.000 0.491 225 Y N -2.179 117.935 120.300 -0.310 0.000 2.624 225 Y HA 0.726 5.277 4.550 0.001 0.000 0.334 225 Y C -0.393 175.414 175.900 -0.155 0.000 1.155 225 Y CA -0.882 57.162 58.100 -0.093 0.000 1.046 225 Y CB 0.746 39.108 38.460 -0.164 0.000 1.316 225 Y HN 0.947 nan 8.280 nan 0.000 0.457 226 A N 2.153 125.079 122.820 0.177 0.000 2.311 226 A HA 0.724 5.044 4.320 0.001 0.000 0.334 226 A C -1.190 176.316 177.584 -0.130 0.000 1.139 226 A CA -0.859 51.136 52.037 -0.069 0.000 0.830 226 A CB 1.799 20.696 19.000 -0.173 0.000 1.234 226 A HN 0.825 nan 8.150 nan 0.000 0.483 227 Q N 0.891 120.538 119.800 -0.255 0.000 2.321 227 Q HA 0.600 4.941 4.340 0.001 0.000 0.270 227 Q C -2.076 173.738 176.000 -0.311 0.000 1.032 227 Q CA -0.356 55.400 55.803 -0.080 0.000 0.784 227 Q CB 1.087 29.980 28.738 0.257 0.000 1.264 227 Q HN 0.593 nan 8.270 nan 0.000 0.448 228 F N 2.216 122.271 119.950 0.175 0.000 2.450 228 F HA 0.436 4.964 4.527 0.001 0.000 0.332 228 F C 0.444 176.400 175.800 0.260 0.000 1.093 228 F CA -0.879 57.202 58.000 0.133 0.000 1.003 228 F CB 1.431 40.415 39.000 -0.026 0.000 1.151 228 F HN 0.439 nan 8.300 nan 0.000 0.474 229 N N 1.800 120.725 118.700 0.375 0.000 2.483 229 N HA 0.214 4.955 4.740 0.001 0.000 0.267 229 N C -0.913 174.776 175.510 0.298 0.000 0.998 229 N CA -0.304 52.929 53.050 0.305 0.000 0.918 229 N CB 1.086 39.696 38.487 0.204 0.000 1.215 229 N HN 0.555 nan 8.380 nan 0.000 0.500 230 D N 1.354 121.958 120.400 0.339 0.000 2.368 230 D HA 0.119 4.759 4.640 0.001 0.000 0.218 230 D C 1.268 177.689 176.300 0.202 0.000 1.112 230 D CA 0.172 54.345 54.000 0.287 0.000 0.834 230 D CB 0.539 41.570 40.800 0.385 0.000 0.953 230 D HN 0.475 nan 8.370 nan 0.000 0.505 231 T N 0.658 115.313 114.554 0.167 0.000 2.624 231 T HA -0.255 4.096 4.350 0.001 0.000 0.266 231 T C 1.248 176.006 174.700 0.096 0.000 1.050 231 T CA 1.492 63.661 62.100 0.116 0.000 1.163 231 T CB -0.117 68.808 68.868 0.095 0.000 0.861 231 T HN 0.350 nan 8.240 nan 0.000 0.443 232 E N 0.263 120.520 120.200 0.096 0.000 2.465 232 E HA 0.202 4.553 4.350 0.001 0.000 0.195 232 E C -0.482 176.167 176.600 0.081 0.000 1.028 232 E CA -0.271 56.175 56.400 0.076 0.000 0.899 232 E CB 0.554 30.292 29.700 0.063 0.000 1.032 232 E HN 0.210 nan 8.360 nan 0.000 0.468 233 V N 3.432 123.409 119.914 0.104 0.000 2.488 233 V HA 0.123 4.243 4.120 0.001 0.000 0.277 233 V C -2.018 174.131 176.094 0.091 0.000 1.046 233 V CA -1.677 60.686 62.300 0.105 0.000 0.986 233 V CB 0.529 32.434 31.823 0.136 0.000 0.989 233 V HN 0.046 nan 8.190 nan 0.000 0.475 234 P HA 0.262 nan 4.420 nan 0.000 0.272 234 P C -0.870 176.466 177.300 0.060 0.000 1.223 234 P CA -0.322 62.813 63.100 0.059 0.000 0.784 234 P CB 0.518 32.251 31.700 0.054 0.000 0.923 235 L N 2.342 123.580 121.223 0.025 0.000 2.309 235 L HA 0.435 4.776 4.340 0.001 0.000 0.282 235 L C 0.206 177.032 176.870 -0.074 0.000 1.036 235 L CA -0.621 54.218 54.840 -0.002 0.000 0.806 235 L CB 1.047 43.102 42.059 -0.007 0.000 1.220 235 L HN 0.300 nan 8.230 nan 0.000 0.429 236 I N 2.361 122.842 120.570 -0.149 0.000 2.472 236 I HA 0.321 4.491 4.170 0.001 0.000 0.290 236 I C -0.440 175.530 176.117 -0.245 0.000 1.016 236 I CA 0.208 61.319 61.300 -0.314 0.000 1.348 236 I CB 0.769 38.322 38.000 -0.745 0.000 1.417 236 I HN 0.614 nan 8.210 nan 0.000 0.521 237 E N 7.170 127.242 120.200 -0.214 0.000 2.248 237 E HA 0.505 4.856 4.350 0.001 0.000 0.267 237 E C -1.797 174.729 176.600 -0.123 0.000 0.877 237 E CA -0.596 55.676 56.400 -0.213 0.000 0.759 237 E CB 2.062 31.667 29.700 -0.157 0.000 1.182 237 E HN 0.572 nan 8.360 nan 0.000 0.418 238 Y N -1.755 118.461 120.300 -0.141 0.000 2.625 238 Y HA 0.576 5.127 4.550 0.001 0.000 0.338 238 Y C -0.627 175.207 175.900 -0.109 0.000 1.123 238 Y CA -1.287 56.737 58.100 -0.126 0.000 1.046 238 Y CB 0.898 39.293 38.460 -0.109 0.000 1.299 238 Y HN 0.218 nan 8.280 nan 0.000 0.464 239 S N 1.674 117.372 115.700 -0.003 0.000 2.584 239 S HA 0.486 4.957 4.470 0.001 0.000 0.273 239 S C -1.444 173.013 174.600 -0.238 0.000 1.311 239 S CA -0.352 57.702 58.200 -0.243 0.000 1.034 239 S CB 0.442 63.355 63.200 -0.477 0.000 0.939 239 S HN 0.526 nan 8.310 nan 0.000 0.513 240 F N 2.144 121.819 119.950 -0.459 0.000 2.499 240 F HA 0.422 4.950 4.527 0.001 0.000 0.333 240 F C -0.291 175.267 175.800 -0.404 0.000 1.138 240 F CA -0.928 56.901 58.000 -0.285 0.000 0.945 240 F CB 0.799 39.758 39.000 -0.069 0.000 1.181 240 F HN 0.656 nan 8.300 nan 0.000 0.435 241 Y N 2.673 122.735 120.300 -0.397 0.000 2.420 241 Y HA 0.102 4.653 4.550 0.001 0.000 0.292 241 Y C 1.755 177.571 175.900 -0.140 0.000 1.119 241 Y CA 1.156 59.130 58.100 -0.212 0.000 1.229 241 Y CB -0.491 37.841 38.460 -0.213 0.000 1.026 241 Y HN 0.734 nan 8.280 nan 0.000 0.554 242 S N -0.333 115.263 115.700 -0.173 0.000 3.443 242 S HA -0.221 4.250 4.470 0.001 0.000 0.635 242 S C -0.529 174.117 174.600 0.077 0.000 2.555 242 S CA 0.303 58.563 58.200 0.100 0.000 2.778 242 S CB -1.185 62.172 63.200 0.261 0.000 0.331 242 S HN 0.463 nan 8.310 nan 0.000 1.765 243 D N 1.501 121.965 120.400 0.107 0.000 2.368 243 D HA 0.153 4.794 4.640 0.001 0.000 0.240 243 D C 1.373 177.707 176.300 0.056 0.000 1.169 243 D CA 0.186 54.230 54.000 0.073 0.000 0.906 243 D CB 0.205 41.050 40.800 0.074 0.000 1.187 243 D HN 0.623 nan 8.370 nan 0.000 0.435 244 E N 0.384 120.605 120.200 0.036 0.000 2.171 244 E HA -0.222 4.129 4.350 0.001 0.000 0.197 244 E C 1.641 178.254 176.600 0.022 0.000 0.997 244 E CA 1.259 57.671 56.400 0.020 0.000 0.810 244 E CB 0.156 29.862 29.700 0.010 0.000 0.738 244 E HN 0.452 nan 8.360 nan 0.000 0.467 245 S N 0.161 115.880 115.700 0.032 0.000 2.447 245 S HA -0.135 4.336 4.470 0.001 0.000 0.233 245 S C 0.934 175.559 174.600 0.040 0.000 1.006 245 S CA -0.001 58.218 58.200 0.032 0.000 0.957 245 S CB -0.159 63.062 63.200 0.036 0.000 0.773 245 S HN 0.206 nan 8.310 nan 0.000 0.507 246 L N 2.603 123.859 121.223 0.056 0.000 2.456 246 L HA 0.291 4.632 4.340 0.001 0.000 0.277 246 L C 1.391 178.292 176.870 0.052 0.000 1.124 246 L CA 0.137 55.020 54.840 0.072 0.000 0.880 246 L CB 0.460 42.577 42.059 0.097 0.000 1.192 246 L HN 0.280 nan 8.230 nan 0.000 0.463 247 Q N 3.872 123.701 119.800 0.048 0.000 2.079 247 Q HA -0.091 4.249 4.340 0.001 0.000 0.200 247 Q C -0.510 175.394 176.000 -0.160 0.000 0.974 247 Q CA 1.330 57.103 55.803 -0.050 0.000 0.840 247 Q CB 0.141 28.860 28.738 -0.033 0.000 0.898 247 Q HN 0.685 nan 8.270 nan 0.000 0.430 248 Y N 0.595 120.910 120.300 0.025 0.000 2.335 248 Y HA 0.375 4.925 4.550 0.001 0.000 0.338 248 Y C -2.043 173.867 175.900 0.016 0.000 0.977 248 Y CA -2.892 55.219 58.100 0.018 0.000 1.114 248 Y CB 1.376 39.838 38.460 0.004 0.000 1.182 248 Y HN 0.143 nan 8.280 nan 0.000 0.463 249 P HA 0.008 nan 4.420 nan 0.000 0.267 249 P C -0.719 176.586 177.300 0.009 0.000 1.200 249 P CA -0.419 62.694 63.100 0.020 0.000 0.772 249 P CB 0.704 32.354 31.700 -0.083 0.000 0.855 250 K N 1.177 121.569 120.400 -0.013 0.000 2.118 250 K HA 0.347 4.667 4.320 0.001 0.000 0.267 250 K C -0.730 175.827 176.600 -0.071 0.000 0.991 250 K CA -0.344 55.941 56.287 -0.005 0.000 0.916 250 K CB 0.554 33.087 32.500 0.054 0.000 1.041 250 K HN 0.319 nan 8.250 nan 0.000 0.455 251 T N 3.004 117.501 114.554 -0.095 0.000 2.756 251 T HA 0.233 4.583 4.350 0.001 0.000 0.290 251 T C -0.595 173.978 174.700 -0.211 0.000 0.985 251 T CA -0.625 61.382 62.100 -0.155 0.000 0.955 251 T CB 1.037 69.828 68.868 -0.128 0.000 0.930 251 T HN 0.302 nan 8.240 nan 0.000 0.451 252 V N 5.524 125.214 119.914 -0.374 0.000 2.546 252 V HA 0.449 4.570 4.120 0.001 0.000 0.284 252 V C 0.422 176.242 176.094 -0.458 0.000 1.050 252 V CA -0.521 61.504 62.300 -0.459 0.000 0.981 252 V CB 0.868 32.224 31.823 -0.778 0.000 0.990 252 V HN 0.718 nan 8.190 nan 0.000 0.474 253 R N 3.208 123.569 120.500 -0.232 0.000 2.532 253 R HA 0.749 5.090 4.340 0.001 0.000 0.297 253 R C -1.437 174.845 176.300 -0.029 0.000 0.984 253 R CA -0.586 55.425 56.100 -0.148 0.000 0.884 253 R CB 2.330 32.575 30.300 -0.091 0.000 1.182 253 R HN 0.535 nan 8.270 nan 0.000 0.442 254 V N 2.870 122.773 119.914 -0.018 0.000 2.760 254 V HA 0.508 4.629 4.120 0.001 0.000 0.309 254 V C -2.751 173.392 176.094 0.082 0.000 1.077 254 V CA -2.642 59.716 62.300 0.096 0.000 0.910 254 V CB 2.652 34.555 31.823 0.134 0.000 1.008 254 V HN 0.524 nan 8.190 nan 0.000 0.424 255 P HA 0.226 nan 4.420 nan 0.000 0.265 255 P C -1.777 175.615 177.300 0.154 0.000 1.222 255 P CA 0.594 63.796 63.100 0.169 0.000 0.767 255 P CB -0.326 31.521 31.700 0.246 0.000 0.801 256 Y N 6.605 126.869 120.300 -0.061 0.000 2.315 256 Y HA 0.380 4.931 4.550 0.001 0.000 0.324 256 Y C -2.726 173.135 175.900 -0.065 0.000 1.062 256 Y CA -2.861 55.147 58.100 -0.153 0.000 1.159 256 Y CB 1.820 40.066 38.460 -0.356 0.000 1.145 256 Y HN 0.282 nan 8.280 nan 0.000 0.442 257 P HA 0.256 nan 4.420 nan 0.000 0.286 257 P C -0.948 176.371 177.300 0.032 0.000 1.321 257 P CA -0.227 62.891 63.100 0.029 0.000 0.790 257 P CB 1.381 33.089 31.700 0.013 0.000 0.897 258 K N 2.061 122.575 120.400 0.191 0.000 2.102 258 K HA 0.494 4.815 4.320 0.001 0.000 0.244 258 K C 0.582 177.278 176.600 0.159 0.000 1.021 258 K CA -0.706 55.722 56.287 0.236 0.000 0.913 258 K CB 0.497 33.164 32.500 0.278 0.000 1.062 258 K HN 0.447 nan 8.250 nan 0.000 0.485 259 A N 0.803 123.746 122.820 0.205 0.000 2.573 259 A HA 0.251 4.571 4.320 0.001 0.000 0.250 259 A C 1.207 178.833 177.584 0.071 0.000 1.049 259 A CA 1.054 53.201 52.037 0.183 0.000 0.767 259 A CB -1.307 17.895 19.000 0.336 0.000 0.965 259 A HN 0.905 nan 8.150 nan 0.000 0.514 260 G N 0.972 109.802 108.800 0.050 0.000 2.179 260 G HA2 0.094 4.055 3.960 0.001 0.000 0.260 260 G HA3 0.094 4.055 3.960 0.001 0.000 0.260 260 G C 0.692 175.604 174.900 0.021 0.000 0.977 260 G CA 0.827 45.930 45.100 0.005 0.000 0.641 260 G HN 2.187 nan 8.290 nan 0.000 0.533 261 A N -0.431 122.418 122.820 0.047 0.000 2.249 261 A HA 0.747 5.068 4.320 0.001 0.000 0.281 261 A C 0.844 178.457 177.584 0.048 0.000 1.127 261 A CA 0.307 52.374 52.037 0.050 0.000 0.833 261 A CB 0.644 19.687 19.000 0.072 0.000 1.140 261 A HN 1.150 nan 8.150 nan 0.000 0.502 262 V N 2.384 122.328 119.914 0.050 0.000 2.529 262 V HA 0.040 4.161 4.120 0.001 0.000 0.292 262 V C 0.289 176.425 176.094 0.070 0.000 1.028 262 V CA -0.129 62.202 62.300 0.051 0.000 1.074 262 V CB -0.151 31.703 31.823 0.051 0.000 0.958 262 V HN 0.780 nan 8.190 nan 0.000 0.481 263 N N 6.315 125.057 118.700 0.070 0.000 2.495 263 N HA 0.479 5.219 4.740 0.001 0.000 0.280 263 N C -2.329 173.262 175.510 0.136 0.000 1.168 263 N CA -1.463 51.651 53.050 0.107 0.000 0.978 263 N CB 1.208 39.760 38.487 0.107 0.000 1.191 263 N HN 0.403 nan 8.380 nan 0.000 0.497 264 P HA 0.130 nan 4.420 nan 0.000 0.274 264 P C -0.507 176.946 177.300 0.254 0.000 1.237 264 P CA -0.188 63.064 63.100 0.253 0.000 0.793 264 P CB 0.495 32.392 31.700 0.329 0.000 0.977 265 T N -1.893 112.789 114.554 0.214 0.000 2.944 265 T HA 0.585 4.936 4.350 0.001 0.000 0.284 265 T C -0.253 174.565 174.700 0.196 0.000 1.010 265 T CA -0.844 61.340 62.100 0.139 0.000 1.025 265 T CB 1.448 70.365 68.868 0.080 0.000 1.079 265 T HN 0.351 nan 8.240 nan 0.000 0.516 266 V N 0.307 120.303 119.914 0.137 0.000 2.841 266 V HA 0.731 4.852 4.120 0.001 0.000 0.310 266 V C -1.493 174.661 176.094 0.100 0.000 1.090 266 V CA -0.839 61.506 62.300 0.075 0.000 0.930 266 V CB 2.046 33.945 31.823 0.127 0.000 1.014 266 V HN 1.029 nan 8.190 nan 0.000 0.425 267 K N 4.461 124.854 120.400 -0.012 0.000 2.435 267 K HA 0.593 4.914 4.320 0.001 0.000 0.251 267 K C -1.943 174.544 176.600 -0.189 0.000 0.954 267 K CA -0.536 55.704 56.287 -0.078 0.000 0.820 267 K CB 2.804 35.237 32.500 -0.111 0.000 1.292 267 K HN 0.565 nan 8.250 nan 0.000 0.436 268 F N 2.359 121.974 119.950 -0.559 0.000 2.529 268 F HA 0.553 5.081 4.527 0.001 0.000 0.320 268 F C -1.534 173.713 175.800 -0.921 0.000 1.118 268 F CA -0.676 56.983 58.000 -0.569 0.000 0.915 268 F CB 0.834 39.631 39.000 -0.338 0.000 1.161 268 F HN 0.382 nan 8.300 nan 0.000 0.445 269 F N 4.007 123.219 119.950 -1.230 0.000 2.603 269 F HA 0.796 5.323 4.527 0.001 0.000 0.317 269 F C -0.937 174.179 175.800 -1.140 0.000 1.066 269 F CA -1.264 56.103 58.000 -1.053 0.000 0.941 269 F CB 2.070 40.393 39.000 -1.130 0.000 1.291 269 F HN 0.128 nan 8.300 nan 0.000 0.472 270 V N 2.248 121.929 119.914 -0.388 0.000 2.623 270 V HA 0.599 4.720 4.120 0.001 0.000 0.304 270 V C -1.217 174.966 176.094 0.148 0.000 1.054 270 V CA -0.797 61.365 62.300 -0.229 0.000 0.882 270 V CB 1.933 33.418 31.823 -0.562 0.000 1.002 270 V HN 0.628 nan 8.190 nan 0.000 0.424 271 V N 4.295 124.375 119.914 0.276 0.000 2.680 271 V HA 0.605 4.726 4.120 0.001 0.000 0.309 271 V C -0.452 175.879 176.094 0.395 0.000 1.052 271 V CA -0.583 61.908 62.300 0.318 0.000 0.908 271 V CB 2.154 34.108 31.823 0.218 0.000 1.001 271 V HN 0.924 nan 8.190 nan 0.000 0.431 272 N N 3.418 122.320 118.700 0.336 0.000 2.406 272 N HA 0.146 4.886 4.740 0.001 0.000 0.251 272 N C 0.975 176.490 175.510 0.008 0.000 1.069 272 N CA 0.546 53.678 53.050 0.135 0.000 0.947 272 N CB 1.737 40.268 38.487 0.072 0.000 1.111 272 N HN 0.928 nan 8.380 nan 0.000 0.497 273 T N -0.386 114.160 114.554 -0.013 0.000 3.113 273 T HA 0.055 4.405 4.350 0.001 0.000 0.256 273 T C 0.556 175.206 174.700 -0.084 0.000 1.131 273 T CA 0.506 62.596 62.100 -0.016 0.000 1.074 273 T CB 0.167 69.129 68.868 0.156 0.000 0.944 273 T HN 0.261 nan 8.240 nan 0.000 0.516 274 D N 1.914 122.239 120.400 -0.125 0.000 2.349 274 D HA 0.073 4.714 4.640 0.001 0.000 0.215 274 D C 1.119 177.356 176.300 -0.104 0.000 1.016 274 D CA 0.540 54.468 54.000 -0.120 0.000 0.870 274 D CB 0.275 40.984 40.800 -0.151 0.000 0.917 274 D HN 0.640 nan 8.370 nan 0.000 0.524 275 S N -0.060 115.578 115.700 -0.103 0.000 2.592 275 S HA 0.323 4.794 4.470 0.001 0.000 0.243 275 S C 0.251 174.792 174.600 -0.098 0.000 1.160 275 S CA -0.621 57.538 58.200 -0.069 0.000 1.145 275 S CB -0.196 62.993 63.200 -0.019 0.000 0.909 275 S HN -0.031 nan 8.310 nan 0.000 0.487 276 L N 1.834 122.922 121.223 -0.225 0.000 2.375 276 L HA 0.652 4.993 4.340 0.001 0.000 0.271 276 L C 0.457 177.192 176.870 -0.226 0.000 1.107 276 L CA -0.360 54.258 54.840 -0.368 0.000 0.806 276 L CB 1.559 43.055 42.059 -0.938 0.000 1.146 276 L HN 0.401 nan 8.230 nan 0.000 0.447 277 S N -0.396 115.298 115.700 -0.011 0.000 2.526 277 S HA 0.337 4.808 4.470 0.001 0.000 0.293 277 S C 0.475 175.288 174.600 0.354 0.000 1.092 277 S CA -0.466 57.840 58.200 0.177 0.000 0.980 277 S CB 1.770 65.034 63.200 0.107 0.000 1.048 277 S HN 0.639 nan 8.310 nan 0.000 0.483 278 S N 2.718 118.614 115.700 0.327 0.000 2.631 278 S HA 0.137 4.607 4.470 0.001 0.000 0.217 278 S C 0.895 175.577 174.600 0.137 0.000 0.958 278 S CA 0.070 58.397 58.200 0.211 0.000 0.920 278 S CB 0.037 63.293 63.200 0.093 0.000 0.776 278 S HN 0.535 nan 8.310 nan 0.000 0.517 279 V N 0.370 120.361 119.914 0.129 0.000 3.455 279 V HA 0.233 4.354 4.120 0.001 0.000 0.250 279 V C 0.613 176.754 176.094 0.079 0.000 1.230 279 V CA 0.618 62.970 62.300 0.087 0.000 1.105 279 V CB 0.328 32.191 31.823 0.067 0.000 0.850 279 V HN 0.437 nan 8.190 nan 0.000 0.461 280 T N 0.870 115.481 114.554 0.096 0.000 2.893 280 T HA 0.400 4.751 4.350 0.001 0.000 0.291 280 T C -0.411 174.354 174.700 0.108 0.000 1.028 280 T CA -0.474 61.670 62.100 0.074 0.000 0.995 280 T CB 1.569 70.471 68.868 0.056 0.000 1.051 280 T HN 0.062 nan 8.240 nan 0.000 0.470 281 N N 1.861 120.610 118.700 0.083 0.000 2.492 281 N HA 0.347 5.088 4.740 0.001 0.000 0.262 281 N C 0.201 175.783 175.510 0.121 0.000 1.202 281 N CA -0.123 53.010 53.050 0.138 0.000 0.926 281 N CB 0.685 39.202 38.487 0.049 0.000 1.078 281 N HN 0.839 nan 8.380 nan 0.000 0.454 282 A N 1.930 124.836 122.820 0.143 0.000 2.520 282 A HA 0.158 4.478 4.320 0.001 0.000 0.235 282 A C 0.297 177.934 177.584 0.088 0.000 1.065 282 A CA 0.286 52.377 52.037 0.089 0.000 0.764 282 A CB 0.008 19.041 19.000 0.054 0.000 1.002 282 A HN 0.542 nan 8.150 nan 0.000 0.502 283 T N 2.740 117.349 114.554 0.092 0.000 2.743 283 T HA 0.417 4.768 4.350 0.001 0.000 0.292 283 T C 0.039 174.825 174.700 0.144 0.000 0.972 283 T CA 0.011 62.176 62.100 0.108 0.000 0.967 283 T CB 0.577 69.514 68.868 0.114 0.000 0.926 283 T HN 0.564 nan 8.240 nan 0.000 0.459 284 S N 3.940 119.718 115.700 0.131 0.000 2.480 284 S HA 0.453 4.924 4.470 0.001 0.000 0.286 284 S C 0.115 174.860 174.600 0.241 0.000 1.180 284 S CA -0.805 57.498 58.200 0.172 0.000 1.075 284 S CB 0.380 63.620 63.200 0.067 0.000 0.996 284 S HN 0.474 nan 8.310 nan 0.000 0.487 285 I N 3.303 124.035 120.570 0.270 0.000 2.315 285 I HA 0.275 4.446 4.170 0.001 0.000 0.291 285 I C 0.562 176.792 176.117 0.189 0.000 1.006 285 I CA -0.287 61.178 61.300 0.274 0.000 1.265 285 I CB 0.876 39.114 38.000 0.396 0.000 1.387 285 I HN 0.668 nan 8.210 nan 0.000 0.475 286 Q N 6.027 125.919 119.800 0.153 0.000 2.293 286 Q HA 0.490 4.830 4.340 0.001 0.000 0.251 286 Q C -1.060 174.883 176.000 -0.095 0.000 0.930 286 Q CA -0.361 55.355 55.803 -0.145 0.000 0.893 286 Q CB 1.313 29.930 28.738 -0.202 0.000 1.215 286 Q HN 0.556 nan 8.270 nan 0.000 0.425 287 I N 3.920 124.412 120.570 -0.131 0.000 2.382 287 I HA 0.209 4.380 4.170 0.001 0.000 0.285 287 I C 0.112 176.223 176.117 -0.010 0.000 1.007 287 I CA -0.683 60.615 61.300 -0.003 0.000 1.142 287 I CB 1.629 39.673 38.000 0.073 0.000 1.289 287 I HN 0.680 nan 8.210 nan 0.000 0.453 288 T N 2.954 117.462 114.554 -0.076 0.000 2.913 288 T HA 0.672 5.022 4.350 0.001 0.000 0.287 288 T C 0.333 174.833 174.700 -0.333 0.000 1.008 288 T CA -0.785 61.208 62.100 -0.178 0.000 1.067 288 T CB 1.701 70.465 68.868 -0.173 0.000 0.996 288 T HN 0.573 nan 8.240 nan 0.000 0.513 289 A N 3.625 125.997 122.820 -0.746 0.000 2.386 289 A HA 0.574 4.894 4.320 0.001 0.000 0.248 289 A C -1.784 175.322 177.584 -0.797 0.000 1.082 289 A CA -1.549 49.635 52.037 -1.422 0.000 0.789 289 A CB -0.616 17.065 19.000 -2.199 0.000 1.025 289 A HN 0.830 nan 8.150 nan 0.000 0.490 290 P HA 0.137 nan 4.420 nan 0.000 0.270 290 P C 0.724 177.809 177.300 -0.357 0.000 1.223 290 P CA 0.536 63.409 63.100 -0.379 0.000 0.785 290 P CB 0.840 32.387 31.700 -0.255 0.000 0.923 291 A N 2.509 125.187 122.820 -0.236 0.000 1.948 291 A HA -0.203 4.117 4.320 0.001 0.000 0.220 291 A C 2.206 179.673 177.584 -0.196 0.000 1.177 291 A CA 2.408 54.325 52.037 -0.200 0.000 0.636 291 A CB -1.789 17.128 19.000 -0.138 0.000 0.815 291 A HN 0.686 nan 8.150 nan 0.000 0.449 292 S N -1.492 114.108 115.700 -0.166 0.000 2.500 292 S HA -0.063 4.408 4.470 0.001 0.000 0.239 292 S C 1.680 176.172 174.600 -0.180 0.000 0.989 292 S CA 1.447 59.560 58.200 -0.146 0.000 0.951 292 S CB -0.248 62.923 63.200 -0.049 0.000 0.759 292 S HN 0.409 nan 8.310 nan 0.000 0.523 293 M N 0.802 120.235 119.600 -0.278 0.000 2.556 293 M HA 0.372 4.852 4.480 0.001 0.000 0.264 293 M C 1.930 177.942 176.300 -0.480 0.000 1.163 293 M CA 0.693 55.753 55.300 -0.400 0.000 1.186 293 M CB -1.145 31.050 32.600 -0.674 0.000 1.321 293 M HN 0.309 nan 8.290 nan 0.000 0.485 294 L N 1.163 122.104 121.223 -0.471 0.000 2.450 294 L HA -0.118 4.223 4.340 0.001 0.000 0.224 294 L C 2.266 179.055 176.870 -0.135 0.000 1.149 294 L CA 0.507 55.170 54.840 -0.295 0.000 0.816 294 L CB -0.899 41.002 42.059 -0.262 0.000 0.932 294 L HN 0.318 nan 8.230 nan 0.000 0.449 295 I N -2.651 117.837 120.570 -0.137 0.000 2.756 295 I HA 0.097 4.268 4.170 0.001 0.000 0.262 295 I C 1.064 177.149 176.117 -0.054 0.000 1.225 295 I CA 0.766 62.011 61.300 -0.092 0.000 1.472 295 I CB -0.424 37.512 38.000 -0.107 0.000 1.094 295 I HN 0.111 nan 8.210 nan 0.000 0.454 296 G N 0.104 108.889 108.800 -0.024 0.000 2.634 296 G HA2 0.260 4.221 3.960 0.001 0.000 0.309 296 G HA3 0.260 4.221 3.960 0.001 0.000 0.309 296 G C -1.815 173.130 174.900 0.075 0.000 1.299 296 G CA -0.567 44.536 45.100 0.005 0.000 0.798 296 G HN 0.042 nan 8.290 nan 0.000 0.490 297 D N 1.191 121.589 120.400 -0.003 0.000 2.423 297 D HA 0.444 5.084 4.640 0.001 0.000 0.238 297 D C 0.360 176.603 176.300 -0.095 0.000 1.142 297 D CA 0.737 54.680 54.000 -0.095 0.000 0.884 297 D CB 0.475 41.182 40.800 -0.155 0.000 1.199 297 D HN 0.561 nan 8.370 nan 0.000 0.438 298 H N -1.074 117.835 119.070 -0.269 0.000 2.948 298 H HA 0.422 4.979 4.556 0.001 0.000 0.315 298 H C -1.435 173.723 175.328 -0.283 0.000 1.360 298 H CA -0.797 55.094 56.048 -0.262 0.000 1.125 298 H CB 0.277 30.023 29.762 -0.027 0.000 1.844 298 H HN 0.308 nan 8.280 nan 0.000 0.529 299 Y N -0.029 120.492 120.300 0.368 0.000 2.576 299 Y HA 0.440 4.991 4.550 0.001 0.000 0.346 299 Y C -0.452 175.720 175.900 0.454 0.000 1.018 299 Y CA -1.167 57.155 58.100 0.371 0.000 1.050 299 Y CB 1.948 40.477 38.460 0.115 0.000 1.280 299 Y HN 0.497 nan 8.280 nan 0.000 0.474 300 L N 2.655 124.221 121.223 0.572 0.000 2.264 300 L HA 0.459 4.800 4.340 0.001 0.000 0.289 300 L C 0.310 177.236 176.870 0.094 0.000 1.044 300 L CA -0.311 54.539 54.840 0.016 0.000 0.807 300 L CB 0.608 42.599 42.059 -0.113 0.000 1.192 300 L HN 0.987 nan 8.230 nan 0.000 0.425 301 C N 1.161 120.383 119.300 -0.130 0.000 3.403 301 C HA 0.511 4.971 4.460 0.001 0.000 0.317 301 C C 0.220 175.104 174.990 -0.175 0.000 1.346 301 C CA -0.330 58.555 59.018 -0.223 0.000 1.743 301 C CB -0.512 27.142 27.740 -0.142 0.000 2.308 301 C HN 0.845 nan 8.230 nan 0.000 0.675 302 D N 0.171 120.476 120.400 -0.158 0.000 2.803 302 D HA 0.477 5.118 4.640 0.001 0.000 0.218 302 D C -1.895 174.159 176.300 -0.410 0.000 1.245 302 D CA 0.098 54.027 54.000 -0.118 0.000 0.821 302 D CB 2.822 43.541 40.800 -0.135 0.000 1.626 302 D HN 0.052 nan 8.370 nan 0.000 0.487 303 V N 2.230 121.841 119.914 -0.506 0.000 2.569 303 V HA 0.546 4.666 4.120 0.001 0.000 0.301 303 V C -0.557 175.193 176.094 -0.574 0.000 1.044 303 V CA -0.403 61.363 62.300 -0.891 0.000 0.874 303 V CB 2.027 32.788 31.823 -1.770 0.000 1.002 303 V HN 0.662 nan 8.190 nan 0.000 0.424 304 T N 3.435 117.726 114.554 -0.439 0.000 3.011 304 T HA 0.358 4.708 4.350 0.001 0.000 0.303 304 T C -0.951 173.644 174.700 -0.174 0.000 0.997 304 T CA -0.465 61.543 62.100 -0.154 0.000 1.007 304 T CB 0.881 69.733 68.868 -0.027 0.000 1.017 304 T HN 0.514 nan 8.240 nan 0.000 0.443 305 W N 2.076 123.351 121.300 -0.041 0.000 2.216 305 W HA 0.487 5.148 4.660 0.001 0.000 0.326 305 W C 1.140 177.572 176.519 -0.145 0.000 1.319 305 W CA -0.342 56.964 57.345 -0.065 0.000 1.213 305 W CB 0.602 30.099 29.460 0.063 0.000 1.171 305 W HN 0.854 nan 8.180 nan 0.000 0.557 306 A N 2.026 124.748 122.820 -0.162 0.000 1.942 306 A HA 0.201 4.521 4.320 0.001 0.000 0.209 306 A C 0.877 178.426 177.584 -0.057 0.000 1.214 306 A CA 1.512 53.219 52.037 -0.549 0.000 0.686 306 A CB -0.302 17.826 19.000 -1.454 0.000 0.871 306 A HN 0.534 nan 8.150 nan 0.000 0.460 307 T N -5.721 108.901 114.554 0.113 0.000 2.647 307 T HA 0.330 4.681 4.350 0.001 0.000 0.295 307 T C 0.116 174.985 174.700 0.281 0.000 1.126 307 T CA -0.380 61.827 62.100 0.178 0.000 1.040 307 T CB 0.650 69.602 68.868 0.140 0.000 1.472 307 T HN -0.058 nan 8.240 nan 0.000 0.500 308 Q N 0.333 120.259 119.800 0.210 0.000 2.291 308 Q HA -0.006 4.335 4.340 0.001 0.000 0.206 308 Q C 0.773 177.014 176.000 0.401 0.000 0.976 308 Q CA 1.541 57.469 55.803 0.208 0.000 0.875 308 Q CB -0.154 28.669 28.738 0.142 0.000 0.927 308 Q HN 0.828 nan 8.270 nan 0.000 0.450 309 E N -0.282 120.161 120.200 0.404 0.000 2.876 309 E HA 0.202 4.553 4.350 0.001 0.000 0.208 309 E C -0.267 176.604 176.600 0.452 0.000 0.981 309 E CA -0.168 56.489 56.400 0.428 0.000 1.174 309 E CB 1.001 30.852 29.700 0.253 0.000 1.047 309 E HN -0.037 nan 8.360 nan 0.000 0.477 310 R N 1.618 122.407 120.500 0.482 0.000 2.515 310 R HA 0.514 4.855 4.340 0.001 0.000 0.291 310 R C -1.774 174.558 176.300 0.054 0.000 1.046 310 R CA -0.467 55.787 56.100 0.256 0.000 0.914 310 R CB 1.279 31.617 30.300 0.063 0.000 1.191 310 R HN 0.097 nan 8.270 nan 0.000 0.435 311 I N 3.168 123.608 120.570 -0.216 0.000 2.569 311 I HA 0.455 4.626 4.170 0.001 0.000 0.296 311 I C -0.864 174.948 176.117 -0.508 0.000 1.028 311 I CA -0.502 60.404 61.300 -0.657 0.000 1.082 311 I CB 2.232 39.439 38.000 -1.321 0.000 1.264 311 I HN 0.853 nan 8.210 nan 0.000 0.429 312 S N 7.183 122.576 115.700 -0.511 0.000 2.537 312 S HA 0.821 5.292 4.470 0.001 0.000 0.301 312 S C -1.088 173.199 174.600 -0.521 0.000 1.092 312 S CA -0.684 57.289 58.200 -0.379 0.000 1.048 312 S CB 1.960 65.051 63.200 -0.182 0.000 1.053 312 S HN 0.437 nan 8.310 nan 0.000 0.501 313 L N 1.659 122.585 121.223 -0.496 0.000 2.431 313 L HA 0.532 4.872 4.340 0.001 0.000 0.266 313 L C -0.501 176.045 176.870 -0.540 0.000 0.978 313 L CA -0.201 54.215 54.840 -0.706 0.000 0.822 313 L CB 2.185 43.697 42.059 -0.912 0.000 1.310 313 L HN 0.841 nan 8.230 nan 0.000 0.409 314 Q N 1.705 121.153 119.800 -0.586 0.000 2.333 314 Q HA 0.535 4.876 4.340 0.001 0.000 0.267 314 Q C -1.660 174.083 176.000 -0.428 0.000 1.012 314 Q CA -0.500 55.092 55.803 -0.352 0.000 0.824 314 Q CB 2.238 30.840 28.738 -0.228 0.000 1.290 314 Q HN 0.489 nan 8.270 nan 0.000 0.449 315 W N 2.241 123.494 121.300 -0.077 0.000 2.706 315 W HA 0.648 5.309 4.660 0.001 0.000 0.346 315 W C -0.942 175.609 176.519 0.054 0.000 1.071 315 W CA -0.676 56.672 57.345 0.005 0.000 1.206 315 W CB 1.132 30.572 29.460 -0.034 0.000 1.413 315 W HN 0.383 nan 8.180 nan 0.000 0.542 316 L N 2.336 123.790 121.223 0.385 0.000 2.408 316 L HA 0.573 4.913 4.340 0.001 0.000 0.268 316 L C -0.207 176.851 176.870 0.314 0.000 0.986 316 L CA -1.137 53.887 54.840 0.307 0.000 0.820 316 L CB 1.429 43.653 42.059 0.275 0.000 1.303 316 L HN 0.411 nan 8.230 nan 0.000 0.411 317 R N 2.529 123.178 120.500 0.248 0.000 2.641 317 R HA 0.249 4.589 4.340 0.001 0.000 0.269 317 R C 0.985 177.340 176.300 0.093 0.000 1.074 317 R CA -0.223 55.966 56.100 0.148 0.000 1.133 317 R CB 0.592 30.966 30.300 0.123 0.000 1.029 317 R HN 0.651 nan 8.270 nan 0.000 0.488 318 R N 1.303 121.769 120.500 -0.057 0.000 2.105 318 R HA -0.080 4.261 4.340 0.001 0.000 0.239 318 R C 0.425 176.776 176.300 0.084 0.000 1.135 318 R CA 1.156 57.214 56.100 -0.071 0.000 0.967 318 R CB 0.161 30.372 30.300 -0.147 0.000 0.861 318 R HN 0.392 nan 8.270 nan 0.000 0.442 319 I N 2.923 123.527 120.570 0.057 0.000 2.311 319 I HA -0.006 4.165 4.170 0.001 0.000 0.297 319 I C 0.259 176.434 176.117 0.097 0.000 1.131 319 I CA 0.453 61.790 61.300 0.061 0.000 1.289 319 I CB 0.809 38.832 38.000 0.038 0.000 1.446 319 I HN 0.278 nan 8.210 nan 0.000 0.524 320 Q N 4.392 124.251 119.800 0.099 0.000 2.294 320 Q HA -0.094 4.247 4.340 0.001 0.000 0.207 320 Q C 0.449 176.525 176.000 0.126 0.000 0.887 320 Q CA 0.190 56.064 55.803 0.118 0.000 0.987 320 Q CB -0.396 28.375 28.738 0.055 0.000 1.101 320 Q HN 0.631 nan 8.270 nan 0.000 0.447 321 N N -1.015 117.762 118.700 0.128 0.000 2.238 321 N HA -0.005 4.736 4.740 0.001 0.000 0.235 321 N C -1.187 174.421 175.510 0.162 0.000 1.209 321 N CA -0.290 52.824 53.050 0.107 0.000 0.879 321 N CB 0.312 38.838 38.487 0.065 0.000 1.136 321 N HN 0.167 nan 8.380 nan 0.000 0.517 322 Y N 0.179 120.503 120.300 0.040 0.000 2.330 322 Y HA 0.581 5.131 4.550 0.001 0.000 0.324 322 Y C -1.243 174.690 175.900 0.055 0.000 1.093 322 Y CA -0.899 57.223 58.100 0.036 0.000 1.103 322 Y CB 1.631 40.104 38.460 0.021 0.000 1.183 322 Y HN 0.042 nan 8.280 nan 0.000 0.433 323 S N 4.361 119.941 115.700 -0.200 0.000 2.570 323 S HA 0.914 5.385 4.470 0.001 0.000 0.286 323 S C -2.028 172.477 174.600 -0.158 0.000 1.099 323 S CA -0.475 57.692 58.200 -0.054 0.000 0.913 323 S CB 1.444 64.633 63.200 -0.018 0.000 1.085 323 S HN 0.461 nan 8.310 nan 0.000 0.480 324 V N 4.446 124.369 119.914 0.016 0.000 2.638 324 V HA 0.533 4.654 4.120 0.001 0.000 0.306 324 V C -0.404 175.732 176.094 0.070 0.000 1.052 324 V CA -0.648 61.664 62.300 0.021 0.000 0.885 324 V CB 1.770 33.642 31.823 0.082 0.000 0.999 324 V HN 0.962 nan 8.190 nan 0.000 0.424 325 M N 3.748 123.355 119.600 0.012 0.000 2.205 325 M HA 0.548 5.029 4.480 0.001 0.000 0.344 325 M C -1.388 174.922 176.300 0.016 0.000 1.085 325 M CA -0.289 54.995 55.300 -0.027 0.000 1.001 325 M CB 1.232 33.766 32.600 -0.110 0.000 1.626 325 M HN 0.616 nan 8.290 nan 0.000 0.442 326 D N 5.050 125.451 120.400 0.002 0.000 2.185 326 D HA 0.547 5.187 4.640 0.001 0.000 0.247 326 D C -1.036 175.232 176.300 -0.054 0.000 1.027 326 D CA -0.073 53.928 54.000 0.002 0.000 0.861 326 D CB 1.841 42.670 40.800 0.047 0.000 1.202 326 D HN 0.601 nan 8.370 nan 0.000 0.453 327 I N 2.380 122.940 120.570 -0.016 0.000 2.410 327 I HA 0.302 4.473 4.170 0.001 0.000 0.286 327 I C -0.578 175.533 176.117 -0.011 0.000 1.009 327 I CA -0.633 60.649 61.300 -0.030 0.000 1.111 327 I CB 1.372 39.406 38.000 0.057 0.000 1.262 327 I HN 0.160 nan 8.210 nan 0.000 0.443 328 c N 3.736 122.322 118.600 -0.023 0.000 2.417 328 c HA 0.559 5.129 4.570 0.001 0.000 0.324 328 c C -0.337 173.890 174.090 0.228 0.000 1.240 328 c CA -0.726 55.658 56.329 0.092 0.000 1.632 328 c CB 1.114 43.685 42.510 0.102 0.000 2.241 328 c HN 0.598 nan 8.230 nan 0.000 0.499 329 D N 0.321 120.838 120.400 0.195 0.000 2.248 329 D HA 0.354 4.995 4.640 0.001 0.000 0.246 329 D C -0.629 175.618 176.300 -0.087 0.000 1.027 329 D CA -0.219 53.854 54.000 0.122 0.000 0.853 329 D CB 0.801 41.622 40.800 0.035 0.000 1.243 329 D HN 0.572 nan 8.370 nan 0.000 0.462 330 Y N 1.599 121.514 120.300 -0.641 0.000 2.411 330 Y HA 0.205 4.756 4.550 0.001 0.000 0.333 330 Y C -0.169 175.427 175.900 -0.505 0.000 1.186 330 Y CA 0.176 57.563 58.100 -1.188 0.000 1.381 330 Y CB 0.759 38.353 38.460 -1.442 0.000 1.273 330 Y HN 0.197 nan 8.280 nan 0.000 0.546 331 D N 5.645 125.350 120.400 -1.158 0.000 2.453 331 D HA 0.124 4.765 4.640 0.001 0.000 0.238 331 D C 0.209 175.955 176.300 -0.923 0.000 1.088 331 D CA -0.163 53.399 54.000 -0.729 0.000 0.854 331 D CB 0.983 41.522 40.800 -0.434 0.000 1.076 331 D HN 0.853 nan 8.370 nan 0.000 0.533 332 E N 1.196 121.070 120.200 -0.543 0.000 2.160 332 E HA -0.132 4.219 4.350 0.001 0.000 0.195 332 E C 1.636 178.135 176.600 -0.170 0.000 0.991 332 E CA 0.910 57.163 56.400 -0.244 0.000 0.810 332 E CB 0.307 30.015 29.700 0.014 0.000 0.742 332 E HN 0.383 nan 8.360 nan 0.000 0.466 333 S N 0.889 116.489 115.700 -0.166 0.000 2.353 333 S HA -0.172 4.299 4.470 0.001 0.000 0.222 333 S C 2.245 176.784 174.600 -0.102 0.000 1.035 333 S CA 1.689 59.828 58.200 -0.103 0.000 1.025 333 S CB -0.224 62.921 63.200 -0.091 0.000 0.902 333 S HN 0.383 nan 8.310 nan 0.000 0.440 334 S N -0.026 115.582 115.700 -0.152 0.000 2.503 334 S HA 0.385 4.856 4.470 0.001 0.000 0.215 334 S C 1.527 176.058 174.600 -0.115 0.000 1.003 334 S CA 0.697 58.831 58.200 -0.111 0.000 0.910 334 S CB 0.048 63.185 63.200 -0.105 0.000 0.790 334 S HN 0.908 nan 8.310 nan 0.000 0.514 335 G N 1.709 110.360 108.800 -0.249 0.000 2.153 335 G HA2 -0.214 3.746 3.960 0.001 0.000 0.252 335 G HA3 -0.214 3.746 3.960 0.001 0.000 0.252 335 G C 0.101 174.928 174.900 -0.121 0.000 0.994 335 G CA 0.165 45.163 45.100 -0.170 0.000 0.698 335 G HN 0.515 nan 8.290 nan 0.000 0.521 336 R N -1.536 118.809 120.500 -0.258 0.000 2.797 336 R HA 0.705 5.046 4.340 0.001 0.000 0.251 336 R C -0.675 175.479 176.300 -0.245 0.000 1.107 336 R CA -1.280 54.770 56.100 -0.083 0.000 1.084 336 R CB 0.400 30.686 30.300 -0.023 0.000 1.205 336 R HN 0.191 nan 8.270 nan 0.000 0.515 337 W N 0.576 121.866 121.300 -0.016 0.000 2.471 337 W HA 0.384 5.045 4.660 0.001 0.000 0.318 337 W C -0.481 176.014 176.519 -0.040 0.000 1.034 337 W CA -0.415 56.920 57.345 -0.016 0.000 1.224 337 W CB 0.981 30.443 29.460 0.002 0.000 1.335 337 W HN 0.382 nan 8.180 nan 0.000 0.452 338 N N 2.209 120.975 118.700 0.109 0.000 2.362 338 N HA 0.552 5.293 4.740 0.001 0.000 0.298 338 N C -1.458 174.088 175.510 0.060 0.000 1.048 338 N CA -0.574 52.508 53.050 0.054 0.000 0.858 338 N CB 1.211 39.693 38.487 -0.009 0.000 1.218 338 N HN 0.160 nan 8.380 nan 0.000 0.488 339 c N 2.542 121.163 118.600 0.034 0.000 2.294 339 c HA 0.396 4.966 4.570 0.001 0.000 0.319 339 c C 0.360 174.448 174.090 -0.004 0.000 1.164 339 c CA -1.124 55.215 56.329 0.018 0.000 1.497 339 c CB -1.285 41.228 42.510 0.005 0.000 2.061 339 c HN 0.607 nan 8.230 nan 0.000 0.438 340 L N 2.960 124.181 121.223 -0.002 0.000 2.490 340 L HA 0.054 4.395 4.340 0.001 0.000 0.274 340 L C 1.792 178.644 176.870 -0.029 0.000 1.201 340 L CA 0.006 54.838 54.840 -0.014 0.000 0.869 340 L CB 0.653 42.708 42.059 -0.007 0.000 1.123 340 L HN 0.748 nan 8.230 nan 0.000 0.484 341 V N 0.855 120.746 119.914 -0.039 0.000 2.490 341 V HA -0.218 3.902 4.120 0.001 0.000 0.250 341 V C 2.162 178.215 176.094 -0.069 0.000 1.061 341 V CA 1.617 63.885 62.300 -0.053 0.000 1.064 341 V CB -0.928 30.865 31.823 -0.050 0.000 0.670 341 V HN 0.930 nan 8.190 nan 0.000 0.461 342 A N 0.503 123.290 122.820 -0.055 0.000 2.125 342 A HA -0.059 4.262 4.320 0.001 0.000 0.219 342 A C 2.256 179.787 177.584 -0.090 0.000 1.156 342 A CA 1.537 53.537 52.037 -0.062 0.000 0.671 342 A CB -0.539 18.442 19.000 -0.033 0.000 0.794 342 A HN 0.645 nan 8.150 nan 0.000 0.459 343 R N -0.673 119.784 120.500 -0.071 0.000 2.466 343 R HA 0.175 4.516 4.340 0.001 0.000 0.279 343 R C 0.142 176.353 176.300 -0.148 0.000 0.976 343 R CA -0.154 55.917 56.100 -0.048 0.000 1.081 343 R CB 0.189 30.521 30.300 0.053 0.000 1.215 343 R HN 0.563 nan 8.270 nan 0.000 0.546 344 Q N 0.615 120.271 119.800 -0.239 0.000 2.259 344 Q HA 0.160 4.501 4.340 0.001 0.000 0.249 344 Q C -0.783 174.933 176.000 -0.473 0.000 0.914 344 Q CA -0.110 55.564 55.803 -0.216 0.000 0.904 344 Q CB 1.002 29.667 28.738 -0.122 0.000 1.213 344 Q HN 0.254 nan 8.270 nan 0.000 0.428 345 H N 3.157 122.210 119.070 -0.030 0.000 2.689 345 H HA 0.395 4.952 4.556 0.001 0.000 0.346 345 H C -0.717 174.559 175.328 -0.086 0.000 1.037 345 H CA -0.448 55.573 56.048 -0.045 0.000 1.234 345 H CB 1.079 30.787 29.762 -0.091 0.000 1.572 345 H HN 0.532 nan 8.280 nan 0.000 0.524 346 I N 1.948 122.512 120.570 -0.009 0.000 2.437 346 I HA 0.210 4.381 4.170 0.001 0.000 0.298 346 I C 0.206 176.246 176.117 -0.129 0.000 0.984 346 I CA -0.272 60.942 61.300 -0.143 0.000 1.214 346 I CB 1.780 39.671 38.000 -0.182 0.000 1.365 346 I HN 0.467 nan 8.210 nan 0.000 0.469 347 E N 7.408 127.469 120.200 -0.231 0.000 2.260 347 E HA 0.574 4.925 4.350 0.001 0.000 0.266 347 E C -1.289 175.181 176.600 -0.215 0.000 0.887 347 E CA -0.678 55.638 56.400 -0.139 0.000 0.777 347 E CB 1.691 31.347 29.700 -0.074 0.000 1.205 347 E HN 0.589 nan 8.360 nan 0.000 0.414 348 M N 1.036 120.560 119.600 -0.128 0.000 2.667 348 M HA 0.660 5.140 4.480 0.001 0.000 0.286 348 M C -1.175 175.115 176.300 -0.017 0.000 1.270 348 M CA -0.905 54.348 55.300 -0.077 0.000 0.826 348 M CB 2.329 34.908 32.600 -0.034 0.000 1.743 348 M HN 0.254 nan 8.290 nan 0.000 0.460 349 S N -0.475 115.224 115.700 -0.002 0.000 2.538 349 S HA 0.577 5.048 4.470 0.001 0.000 0.288 349 S C 0.244 174.831 174.600 -0.022 0.000 1.108 349 S CA 0.007 58.192 58.200 -0.026 0.000 0.971 349 S CB 1.760 64.911 63.200 -0.082 0.000 1.041 349 S HN 0.913 nan 8.310 nan 0.000 0.483 350 T N -0.045 114.497 114.554 -0.021 0.000 3.037 350 T HA 0.066 4.417 4.350 0.001 0.000 0.251 350 T C 1.490 176.167 174.700 -0.039 0.000 1.079 350 T CA 0.908 62.999 62.100 -0.015 0.000 1.067 350 T CB -0.344 68.523 68.868 -0.002 0.000 0.948 350 T HN 0.682 nan 8.240 nan 0.000 0.496 351 T N -2.071 112.448 114.554 -0.060 0.000 3.014 351 T HA 0.611 4.962 4.350 0.001 0.000 0.250 351 T C 1.111 175.626 174.700 -0.308 0.000 1.060 351 T CA 0.368 62.427 62.100 -0.069 0.000 1.040 351 T CB 0.463 69.368 68.868 0.061 0.000 0.971 351 T HN 0.592 nan 8.240 nan 0.000 0.497 352 G N 0.374 108.820 108.800 -0.590 0.000 2.791 352 G HA2 0.491 4.452 3.960 0.001 0.000 0.158 352 G HA3 0.491 4.452 3.960 0.001 0.000 0.158 352 G C -1.618 172.976 174.900 -0.509 0.000 1.193 352 G CA -0.574 43.933 45.100 -0.989 0.000 1.032 352 G HN 0.479 nan 8.290 nan 0.000 0.557 353 W N -0.198 120.838 121.300 -0.440 0.000 2.353 353 W HA 0.757 5.418 4.660 0.001 0.000 0.377 353 W C -0.406 176.059 176.519 -0.089 0.000 1.375 353 W CA -1.305 55.912 57.345 -0.212 0.000 1.503 353 W CB 0.611 29.917 29.460 -0.257 0.000 1.345 353 W HN 0.262 nan 8.180 nan 0.000 0.683 354 V N 2.923 122.914 119.914 0.128 0.000 2.407 354 V HA 0.683 4.804 4.120 0.001 0.000 0.278 354 V C 0.765 176.941 176.094 0.136 0.000 1.037 354 V CA 0.290 62.629 62.300 0.064 0.000 0.900 354 V CB -0.042 31.813 31.823 0.054 0.000 0.983 354 V HN 1.272 nan 8.190 nan 0.000 0.459 355 G N 5.115 113.960 108.800 0.075 0.000 2.829 355 G HA2 -0.196 3.765 3.960 0.001 0.000 0.628 355 G HA3 -0.196 3.765 3.960 0.001 0.000 0.628 355 G C 0.398 175.413 174.900 0.192 0.000 1.412 355 G CA 0.183 45.354 45.100 0.119 0.000 0.864 355 G HN 0.656 nan 8.290 nan 0.000 0.544 356 R N -0.655 119.958 120.500 0.189 0.000 2.070 356 R HA 0.033 4.373 4.340 0.001 0.000 0.233 356 R C 2.057 178.417 176.300 0.099 0.000 1.137 356 R CA 2.344 58.552 56.100 0.181 0.000 0.945 356 R CB -0.117 30.323 30.300 0.233 0.000 0.845 356 R HN 0.502 nan 8.270 nan 0.000 0.430 357 F N -1.225 118.861 119.950 0.226 0.000 2.747 357 F HA 0.229 4.757 4.527 0.001 0.000 0.305 357 F C 0.456 176.283 175.800 0.044 0.000 1.065 357 F CA -0.472 57.601 58.000 0.122 0.000 1.230 357 F CB 0.747 39.815 39.000 0.112 0.000 1.027 357 F HN -0.109 nan 8.300 nan 0.000 0.607 358 R N -0.721 119.918 120.500 0.232 0.000 2.692 358 R HA 0.480 4.821 4.340 0.001 0.000 0.269 358 R C -3.273 173.089 176.300 0.103 0.000 1.030 358 R CA -2.032 54.130 56.100 0.104 0.000 0.882 358 R CB 0.361 30.671 30.300 0.018 0.000 1.250 358 R HN -0.345 nan 8.270 nan 0.000 0.465 359 P HA -0.052 nan 4.420 nan 0.000 0.263 359 P C -0.332 176.994 177.300 0.044 0.000 1.175 359 P CA 0.234 63.358 63.100 0.039 0.000 0.761 359 P CB 0.628 32.325 31.700 -0.004 0.000 0.794 360 S N 1.907 117.645 115.700 0.063 0.000 2.584 360 S HA 0.151 4.622 4.470 0.001 0.000 0.270 360 S C 0.216 174.843 174.600 0.045 0.000 1.346 360 S CA -0.722 57.531 58.200 0.089 0.000 1.018 360 S CB 0.404 63.678 63.200 0.122 0.000 0.899 360 S HN 0.536 nan 8.310 nan 0.000 0.542 361 E N 1.336 121.581 120.200 0.075 0.000 2.301 361 E HA 0.377 4.728 4.350 0.001 0.000 0.275 361 E C -2.821 173.763 176.600 -0.026 0.000 1.030 361 E CA -2.408 53.987 56.400 -0.008 0.000 0.852 361 E CB 0.495 30.195 29.700 0.001 0.000 1.060 361 E HN 0.430 nan 8.360 nan 0.000 0.401 362 P HA 0.241 nan 4.420 nan 0.000 0.282 362 P C -1.070 176.047 177.300 -0.304 0.000 1.249 362 P CA -0.402 62.532 63.100 -0.277 0.000 0.806 362 P CB 0.491 31.667 31.700 -0.873 0.000 0.984 363 H N 1.349 120.406 119.070 -0.022 0.000 2.718 363 H HA 0.392 4.949 4.556 0.001 0.000 0.295 363 H C -0.306 175.105 175.328 0.138 0.000 1.051 363 H CA -0.227 55.893 56.048 0.120 0.000 1.260 363 H CB -0.250 29.627 29.762 0.192 0.000 1.403 363 H HN 0.224 nan 8.280 nan 0.000 0.488 364 F N 1.292 121.412 119.950 0.283 0.000 2.418 364 F HA 0.171 4.699 4.527 0.001 0.000 0.341 364 F C 1.427 177.412 175.800 0.309 0.000 1.120 364 F CA -0.540 57.642 58.000 0.303 0.000 1.232 364 F CB 0.831 39.945 39.000 0.190 0.000 1.175 364 F HN 0.402 nan 8.300 nan 0.000 0.569 365 T N 0.042 114.896 114.554 0.499 0.000 2.726 365 T HA 0.172 4.523 4.350 0.001 0.000 0.294 365 T C 1.208 176.098 174.700 0.317 0.000 1.013 365 T CA -0.722 61.606 62.100 0.380 0.000 0.996 365 T CB 0.620 69.697 68.868 0.347 0.000 1.016 365 T HN 0.458 nan 8.240 nan 0.000 0.529 366 L N 1.344 122.709 121.223 0.237 0.000 2.013 366 L HA -0.088 4.253 4.340 0.001 0.000 0.212 366 L C 2.406 179.383 176.870 0.180 0.000 1.073 366 L CA 2.235 57.189 54.840 0.190 0.000 0.753 366 L CB -0.852 41.295 42.059 0.147 0.000 0.890 366 L HN 0.923 nan 8.230 nan 0.000 0.432 367 D N -1.475 119.032 120.400 0.178 0.000 2.363 367 D HA 0.055 4.696 4.640 0.001 0.000 0.220 367 D C 1.604 178.007 176.300 0.171 0.000 0.994 367 D CA 0.758 54.852 54.000 0.156 0.000 0.890 367 D CB -0.337 40.545 40.800 0.137 0.000 0.906 367 D HN 0.266 nan 8.370 nan 0.000 0.530 368 G N 0.473 109.414 108.800 0.236 0.000 2.153 368 G HA2 -0.352 3.609 3.960 0.001 0.000 0.252 368 G HA3 -0.352 3.609 3.960 0.001 0.000 0.252 368 G C 0.890 175.972 174.900 0.303 0.000 0.994 368 G CA 0.401 45.653 45.100 0.252 0.000 0.698 368 G HN 0.362 nan 8.290 nan 0.000 0.521 369 N N 0.081 118.946 118.700 0.275 0.000 2.373 369 N HA 0.173 4.914 4.740 0.001 0.000 0.181 369 N C 1.013 176.659 175.510 0.226 0.000 1.082 369 N CA 1.148 54.333 53.050 0.225 0.000 0.885 369 N CB 0.435 39.013 38.487 0.151 0.000 0.977 369 N HN 0.924 nan 8.380 nan 0.000 0.462 370 S N -0.457 115.414 115.700 0.286 0.000 2.625 370 S HA 0.770 5.241 4.470 0.001 0.000 0.271 370 S C -0.986 173.723 174.600 0.181 0.000 1.161 370 S CA -0.987 57.263 58.200 0.083 0.000 0.820 370 S CB 1.821 64.979 63.200 -0.070 0.000 1.137 370 S HN 0.123 nan 8.310 nan 0.000 0.470 371 F N -1.970 117.840 119.950 -0.233 0.000 2.713 371 F HA 0.816 5.344 4.527 0.001 0.000 0.311 371 F C -2.239 173.406 175.800 -0.258 0.000 1.141 371 F CA -1.518 56.287 58.000 -0.325 0.000 0.939 371 F CB 0.567 38.989 39.000 -0.963 0.000 1.325 371 F HN 0.608 nan 8.300 nan 0.000 0.453 372 Y N 1.217 121.671 120.300 0.258 0.000 2.409 372 Y HA 0.724 5.275 4.550 0.001 0.000 0.339 372 Y C -0.217 175.861 175.900 0.297 0.000 1.033 372 Y CA -0.848 57.384 58.100 0.219 0.000 1.094 372 Y CB 2.228 40.764 38.460 0.126 0.000 1.210 372 Y HN 0.772 nan 8.280 nan 0.000 0.456 373 K N 2.252 122.891 120.400 0.398 0.000 2.546 373 K HA 0.553 4.874 4.320 0.001 0.000 0.264 373 K C -1.827 174.917 176.600 0.239 0.000 0.937 373 K CA -0.545 55.938 56.287 0.327 0.000 0.833 373 K CB 1.646 34.333 32.500 0.312 0.000 1.378 373 K HN 0.702 nan 8.250 nan 0.000 0.432 374 I N 5.800 126.483 120.570 0.188 0.000 2.416 374 I HA 0.321 4.492 4.170 0.001 0.000 0.288 374 I C 0.033 176.246 176.117 0.160 0.000 1.051 374 I CA -0.376 61.012 61.300 0.147 0.000 1.375 374 I CB 0.499 38.566 38.000 0.112 0.000 1.407 374 I HN 0.495 nan 8.210 nan 0.000 0.516 375 I N 1.444 122.134 120.570 0.201 0.000 2.913 375 I HA 0.456 4.627 4.170 0.001 0.000 0.302 375 I C -0.470 175.788 176.117 0.236 0.000 1.246 375 I CA -0.816 60.604 61.300 0.200 0.000 1.010 375 I CB 2.139 40.267 38.000 0.213 0.000 1.259 375 I HN 0.248 nan 8.210 nan 0.000 0.434 376 S N 3.790 119.560 115.700 0.116 0.000 2.516 376 S HA 0.135 4.606 4.470 0.001 0.000 0.282 376 S C 0.106 174.759 174.600 0.088 0.000 1.286 376 S CA -0.500 57.713 58.200 0.022 0.000 1.066 376 S CB -0.150 63.002 63.200 -0.080 0.000 0.884 376 S HN 0.798 nan 8.310 nan 0.000 0.491 377 N N 2.512 121.149 118.700 -0.104 0.000 2.374 377 N HA 0.129 4.870 4.740 0.001 0.000 0.284 377 N C 0.699 176.105 175.510 -0.173 0.000 1.280 377 N CA -0.558 52.274 53.050 -0.363 0.000 0.963 377 N CB 0.141 37.977 38.487 -1.084 0.000 1.141 377 N HN 0.373 nan 8.380 nan 0.000 0.565 378 E N -0.532 119.560 120.200 -0.180 0.000 2.265 378 E HA -0.128 4.223 4.350 0.001 0.000 0.196 378 E C 0.513 177.058 176.600 -0.093 0.000 0.996 378 E CA 0.935 57.278 56.400 -0.095 0.000 0.832 378 E CB -0.100 29.554 29.700 -0.078 0.000 0.756 378 E HN 0.602 nan 8.360 nan 0.000 0.491 379 E N -0.516 119.625 120.200 -0.098 0.000 2.479 379 E HA 0.097 4.448 4.350 0.001 0.000 0.193 379 E C 1.220 177.773 176.600 -0.079 0.000 1.049 379 E CA 0.571 56.959 56.400 -0.019 0.000 0.870 379 E CB 0.452 30.208 29.700 0.094 0.000 0.944 379 E HN 0.318 nan 8.360 nan 0.000 0.492 380 G N 0.983 109.686 108.800 -0.161 0.000 2.141 380 G HA2 -0.282 3.678 3.960 0.001 0.000 0.242 380 G HA3 -0.282 3.678 3.960 0.001 0.000 0.242 380 G C -0.353 174.262 174.900 -0.476 0.000 0.982 380 G CA -0.072 44.836 45.100 -0.320 0.000 0.662 380 G HN 0.224 nan 8.290 nan 0.000 0.527 381 Y N 0.309 120.485 120.300 -0.207 0.000 2.330 381 Y HA 0.626 5.177 4.550 0.001 0.000 0.336 381 Y C 1.156 176.907 175.900 -0.248 0.000 1.036 381 Y CA -0.902 57.061 58.100 -0.228 0.000 1.125 381 Y CB 1.050 39.396 38.460 -0.190 0.000 1.194 381 Y HN 0.093 nan 8.280 nan 0.000 0.469 382 R N 3.928 124.295 120.500 -0.222 0.000 2.296 382 R HA 0.242 4.583 4.340 0.001 0.000 0.323 382 R C -0.688 175.333 176.300 -0.465 0.000 1.067 382 R CA 0.105 56.084 56.100 -0.201 0.000 0.946 382 R CB 0.067 30.297 30.300 -0.116 0.000 0.991 382 R HN 0.667 nan 8.270 nan 0.000 0.448 383 H N 1.656 120.703 119.070 -0.038 0.000 2.941 383 H HA 0.342 4.899 4.556 0.001 0.000 0.344 383 H C -0.188 175.203 175.328 0.104 0.000 1.235 383 H CA -0.937 55.066 56.048 -0.075 0.000 1.149 383 H CB 1.569 31.189 29.762 -0.236 0.000 1.885 383 H HN 0.304 nan 8.280 nan 0.000 0.558 384 I N 1.317 121.968 120.570 0.136 0.000 2.416 384 I HA 0.070 4.241 4.170 0.001 0.000 0.288 384 I C 0.345 176.487 176.117 0.042 0.000 1.051 384 I CA 0.038 61.376 61.300 0.062 0.000 1.375 384 I CB 0.441 38.386 38.000 -0.091 0.000 1.407 384 I HN 0.142 nan 8.210 nan 0.000 0.516 385 c N 7.046 125.591 118.600 -0.091 0.000 2.435 385 c HA 0.451 5.022 4.570 0.001 0.000 0.333 385 c C -0.453 173.453 174.090 -0.307 0.000 1.202 385 c CA -0.452 55.582 56.329 -0.493 0.000 1.830 385 c CB 1.097 43.028 42.510 -0.965 0.000 2.326 385 c HN 0.640 nan 8.230 nan 0.000 0.507 386 Y N 4.231 124.158 120.300 -0.622 0.000 2.331 386 Y HA 0.658 5.209 4.550 0.001 0.000 0.338 386 Y C -1.063 174.326 175.900 -0.850 0.000 0.976 386 Y CA -1.102 56.587 58.100 -0.684 0.000 1.137 386 Y CB 0.247 38.428 38.460 -0.465 0.000 1.172 386 Y HN 0.618 nan 8.280 nan 0.000 0.478 387 F N 3.699 122.900 119.950 -1.249 0.000 2.492 387 F HA 0.463 4.991 4.527 0.001 0.000 0.327 387 F C -0.070 174.969 175.800 -1.270 0.000 1.079 387 F CA -0.886 56.311 58.000 -1.338 0.000 0.967 387 F CB 1.547 39.347 39.000 -2.000 0.000 1.169 387 F HN 0.299 nan 8.300 nan 0.000 0.472 388 Q N 2.142 121.604 119.800 -0.564 0.000 2.241 388 Q HA 0.336 4.677 4.340 0.001 0.000 0.254 388 Q C 0.966 176.952 176.000 -0.023 0.000 0.917 388 Q CA -0.243 55.375 55.803 -0.308 0.000 0.919 388 Q CB 1.477 30.095 28.738 -0.200 0.000 1.237 388 Q HN 0.706 nan 8.270 nan 0.000 0.434 389 I N -0.818 119.836 120.570 0.140 0.000 2.567 389 I HA -0.085 4.085 4.170 0.001 0.000 0.257 389 I C 0.374 176.720 176.117 0.382 0.000 1.184 389 I CA 1.306 62.846 61.300 0.399 0.000 1.451 389 I CB 0.056 38.282 38.000 0.377 0.000 1.089 389 I HN 0.416 nan 8.210 nan 0.000 0.441 390 D N 0.572 121.084 120.400 0.187 0.000 2.670 390 D HA 0.257 4.897 4.640 0.001 0.000 0.255 390 D C -0.137 176.196 176.300 0.055 0.000 1.286 390 D CA -0.335 53.720 54.000 0.091 0.000 0.830 390 D CB 0.278 41.110 40.800 0.054 0.000 1.065 390 D HN 0.171 nan 8.370 nan 0.000 0.486 391 K N 0.335 120.804 120.400 0.115 0.000 2.427 391 K HA 0.291 4.612 4.320 0.001 0.000 0.252 391 K C 0.691 177.370 176.600 0.132 0.000 0.931 391 K CA -0.725 55.597 56.287 0.058 0.000 0.793 391 K CB 2.618 35.112 32.500 -0.011 0.000 1.211 391 K HN -0.166 nan 8.250 nan 0.000 0.426 392 K N 1.515 121.944 120.400 0.050 0.000 2.031 392 K HA -0.012 4.309 4.320 0.001 0.000 0.205 392 K C -0.448 176.205 176.600 0.089 0.000 1.049 392 K CA 1.242 57.576 56.287 0.077 0.000 0.939 392 K CB 0.203 32.711 32.500 0.013 0.000 0.717 392 K HN 0.629 nan 8.250 nan 0.000 0.438 393 D N 1.153 121.541 120.400 -0.020 0.000 2.302 393 D HA 0.076 4.717 4.640 0.001 0.000 0.248 393 D C 0.031 176.154 176.300 -0.294 0.000 1.094 393 D CA -0.184 53.745 54.000 -0.119 0.000 0.897 393 D CB 1.242 41.978 40.800 -0.108 0.000 1.200 393 D HN 0.335 nan 8.370 nan 0.000 0.429 394 c N -0.083 118.193 118.600 -0.541 0.000 2.630 394 c HA 0.817 5.387 4.570 0.001 0.000 0.346 394 c C 0.066 173.761 174.090 -0.658 0.000 1.245 394 c CA -0.617 55.147 56.329 -0.942 0.000 1.804 394 c CB 1.252 42.484 42.510 -2.130 0.000 2.279 394 c HN 0.481 nan 8.230 nan 0.000 0.498 395 T N 1.772 115.980 114.554 -0.578 0.000 2.792 395 T HA 0.497 4.848 4.350 0.001 0.000 0.280 395 T C -0.775 173.713 174.700 -0.353 0.000 0.990 395 T CA 0.133 62.049 62.100 -0.307 0.000 0.960 395 T CB 0.486 69.321 68.868 -0.056 0.000 0.939 395 T HN 0.486 nan 8.240 nan 0.000 0.439 396 F N 3.375 123.210 119.950 -0.192 0.000 2.467 396 F HA 0.271 4.798 4.527 0.001 0.000 0.362 396 F C 1.645 177.279 175.800 -0.277 0.000 1.090 396 F CA -0.906 56.964 58.000 -0.217 0.000 1.202 396 F CB 0.480 39.354 39.000 -0.209 0.000 1.113 396 F HN 0.572 nan 8.300 nan 0.000 0.541 397 I N -0.493 119.944 120.570 -0.222 0.000 3.941 397 I HA 0.208 4.379 4.170 0.001 0.000 0.321 397 I C 0.231 176.155 176.117 -0.320 0.000 1.284 397 I CA 0.181 61.112 61.300 -0.614 0.000 1.226 397 I CB -0.031 37.300 38.000 -1.115 0.000 1.045 397 I HN 0.495 nan 8.210 nan 0.000 0.420 398 T N 0.245 114.688 114.554 -0.185 0.000 2.906 398 T HA 0.724 5.074 4.350 0.001 0.000 0.295 398 T C -0.699 173.687 174.700 -0.524 0.000 1.075 398 T CA -0.702 61.293 62.100 -0.175 0.000 1.005 398 T CB 2.723 71.556 68.868 -0.060 0.000 1.136 398 T HN 0.506 nan 8.240 nan 0.000 0.498 399 K N -0.439 119.506 120.400 -0.760 0.000 2.642 399 K HA 0.775 5.095 4.320 0.001 0.000 0.290 399 K C -0.489 175.499 176.600 -1.020 0.000 1.006 399 K CA -0.886 54.603 56.287 -1.329 0.000 0.869 399 K CB 1.231 33.309 32.500 -0.704 0.000 1.499 399 K HN 1.617 nan 8.250 nan 0.000 0.403 400 G N -0.091 108.102 108.800 -1.012 0.000 2.351 400 G HA2 0.110 4.071 3.960 0.001 0.000 0.353 400 G HA3 0.110 4.071 3.960 0.001 0.000 0.353 400 G C -0.839 173.485 174.900 -0.959 0.000 1.358 400 G CA -0.400 44.270 45.100 -0.717 0.000 0.995 400 G HN 1.040 nan 8.290 nan 0.000 0.611 401 T N -0.325 113.815 114.554 -0.690 0.000 4.098 401 T HA 0.575 4.926 4.350 0.001 0.000 0.291 401 T C 0.200 174.670 174.700 -0.384 0.000 1.440 401 T CA 0.485 61.968 62.100 -1.028 0.000 1.164 401 T CB -0.924 67.615 68.868 -0.548 0.000 1.313 401 T HN 1.510 nan 8.240 nan 0.000 0.951 402 W N -0.324 120.810 121.300 -0.277 0.000 2.881 402 W HA 0.615 5.276 4.660 0.001 0.000 0.380 402 W C -1.516 174.997 176.519 -0.011 0.000 1.170 402 W CA -0.957 56.374 57.345 -0.023 0.000 1.171 402 W CB 0.591 30.026 29.460 -0.043 0.000 1.464 402 W HN 0.203 nan 8.180 nan 0.000 0.574 403 E N 0.703 121.082 120.200 0.298 0.000 2.343 403 E HA 0.460 4.810 4.350 0.001 0.000 0.270 403 E C -1.211 175.497 176.600 0.179 0.000 0.895 403 E CA -1.166 55.224 56.400 -0.018 0.000 0.767 403 E CB 3.409 33.131 29.700 0.037 0.000 1.248 403 E HN 0.156 nan 8.360 nan 0.000 0.440 404 V N 3.684 123.577 119.914 -0.035 0.000 2.488 404 V HA 0.017 4.138 4.120 0.001 0.000 0.277 404 V C 1.148 177.323 176.094 0.136 0.000 1.046 404 V CA -0.030 62.334 62.300 0.108 0.000 0.986 404 V CB 0.673 32.451 31.823 -0.074 0.000 0.989 404 V HN 0.687 nan 8.190 nan 0.000 0.475 405 I N 3.186 123.869 120.570 0.188 0.000 2.400 405 I HA 0.249 4.420 4.170 0.001 0.000 0.248 405 I C 1.117 177.343 176.117 0.181 0.000 1.109 405 I CA 1.193 62.600 61.300 0.180 0.000 1.425 405 I CB -0.781 37.270 38.000 0.085 0.000 1.094 405 I HN 0.751 nan 8.210 nan 0.000 0.425 406 G N 0.491 109.396 108.800 0.175 0.000 2.632 406 G HA2 0.543 4.504 3.960 0.001 0.000 0.292 406 G HA3 0.543 4.504 3.960 0.001 0.000 0.292 406 G C -1.364 173.617 174.900 0.136 0.000 1.465 406 G CA -0.559 44.636 45.100 0.159 0.000 0.824 406 G HN -0.048 nan 8.290 nan 0.000 0.509 407 I N 1.361 121.944 120.570 0.022 0.000 2.331 407 I HA 0.287 4.458 4.170 0.001 0.000 0.292 407 I C 0.672 176.726 176.117 -0.104 0.000 0.998 407 I CA -0.589 60.630 61.300 -0.135 0.000 1.267 407 I CB 1.833 39.496 38.000 -0.561 0.000 1.386 407 I HN 0.517 nan 8.210 nan 0.000 0.476 408 E N 4.904 125.095 120.200 -0.015 0.000 2.372 408 E HA 0.347 4.698 4.350 0.001 0.000 0.201 408 E C 0.100 176.601 176.600 -0.166 0.000 0.938 408 E CA 0.186 56.604 56.400 0.030 0.000 0.944 408 E CB 0.935 30.743 29.700 0.181 0.000 0.937 408 E HN 0.648 nan 8.360 nan 0.000 0.495 409 A N 0.756 123.387 122.820 -0.315 0.000 2.605 409 A HA 0.605 4.925 4.320 0.001 0.000 0.294 409 A C -1.989 175.514 177.584 -0.136 0.000 1.062 409 A CA -0.648 51.133 52.037 -0.426 0.000 0.682 409 A CB 1.345 19.525 19.000 -1.367 0.000 1.278 409 A HN 0.042 nan 8.150 nan 0.000 0.410 410 L N 1.480 122.677 121.223 -0.043 0.000 2.438 410 L HA 0.834 5.175 4.340 0.001 0.000 0.270 410 L C 0.115 177.024 176.870 0.065 0.000 0.972 410 L CA 0.526 55.376 54.840 0.017 0.000 0.831 410 L CB 2.082 44.183 42.059 0.070 0.000 1.273 410 L HN 1.244 nan 8.230 nan 0.000 0.405 411 T N -0.332 114.270 114.554 0.081 0.000 2.807 411 T HA 0.439 4.790 4.350 0.001 0.000 0.277 411 T C 0.945 175.683 174.700 0.064 0.000 1.006 411 T CA 0.090 62.251 62.100 0.100 0.000 1.006 411 T CB 1.172 70.136 68.868 0.160 0.000 1.274 411 T HN 0.641 nan 8.240 nan 0.000 0.569 412 S N -0.526 115.210 115.700 0.061 0.000 2.453 412 S HA -0.031 4.440 4.470 0.001 0.000 0.231 412 S C 0.822 175.396 174.600 -0.043 0.000 1.005 412 S CA 0.814 59.034 58.200 0.033 0.000 0.949 412 S CB -0.447 62.778 63.200 0.042 0.000 0.774 412 S HN 0.709 nan 8.310 nan 0.000 0.510 413 D N -0.678 119.675 120.400 -0.077 0.000 2.422 413 D HA 0.251 4.891 4.640 0.001 0.000 0.218 413 D C -0.487 175.468 176.300 -0.574 0.000 1.047 413 D CA 0.544 54.366 54.000 -0.298 0.000 0.885 413 D CB 0.301 40.928 40.800 -0.289 0.000 1.035 413 D HN 0.433 nan 8.370 nan 0.000 0.502 414 Y N -0.093 120.128 120.300 -0.131 0.000 2.553 414 Y HA 0.479 5.030 4.550 0.001 0.000 0.347 414 Y C -0.604 175.090 175.900 -0.343 0.000 1.019 414 Y CA -1.045 56.879 58.100 -0.293 0.000 1.032 414 Y CB 2.562 40.715 38.460 -0.512 0.000 1.284 414 Y HN -0.279 nan 8.280 nan 0.000 0.466 415 L N 2.620 123.699 121.223 -0.240 0.000 2.341 415 L HA 0.626 4.967 4.340 0.001 0.000 0.278 415 L C -1.897 174.829 176.870 -0.241 0.000 1.005 415 L CA -0.624 54.069 54.840 -0.244 0.000 0.818 415 L CB 1.019 42.852 42.059 -0.377 0.000 1.259 415 L HN 0.618 nan 8.230 nan 0.000 0.418 416 Y N 4.713 124.928 120.300 -0.142 0.000 2.360 416 Y HA 0.569 5.120 4.550 0.001 0.000 0.337 416 Y C -0.484 175.399 175.900 -0.028 0.000 1.039 416 Y CA -0.360 57.647 58.100 -0.155 0.000 1.109 416 Y CB 1.429 39.684 38.460 -0.341 0.000 1.201 416 Y HN 0.542 nan 8.280 nan 0.000 0.458 417 Y N -0.028 120.324 120.300 0.086 0.000 2.625 417 Y HA 0.797 5.348 4.550 0.001 0.000 0.338 417 Y C -1.779 174.199 175.900 0.130 0.000 1.123 417 Y CA -2.011 56.131 58.100 0.069 0.000 1.046 417 Y CB 1.095 39.569 38.460 0.024 0.000 1.299 417 Y HN 0.428 nan 8.280 nan 0.000 0.464 418 I N 3.020 123.752 120.570 0.270 0.000 2.412 418 I HA 0.637 4.808 4.170 0.001 0.000 0.296 418 I C -0.287 176.014 176.117 0.307 0.000 0.987 418 I CA -0.470 60.939 61.300 0.182 0.000 1.180 418 I CB 1.948 40.005 38.000 0.096 0.000 1.340 418 I HN 0.871 nan 8.210 nan 0.000 0.455 419 S N 3.203 119.059 115.700 0.260 0.000 2.651 419 S HA 0.418 4.889 4.470 0.001 0.000 0.279 419 S C -0.512 174.154 174.600 0.110 0.000 1.148 419 S CA -0.873 57.465 58.200 0.230 0.000 0.837 419 S CB 1.726 65.068 63.200 0.237 0.000 1.138 419 S HN 0.647 nan 8.310 nan 0.000 0.478 420 N N -0.348 118.415 118.700 0.104 0.000 2.380 420 N HA 0.146 4.887 4.740 0.001 0.000 0.255 420 N C 0.546 176.051 175.510 -0.007 0.000 1.158 420 N CA -0.267 52.805 53.050 0.036 0.000 0.878 420 N CB 0.269 38.767 38.487 0.018 0.000 1.138 420 N HN 0.823 nan 8.380 nan 0.000 0.509 421 E N -0.102 119.959 120.200 -0.231 0.000 2.072 421 E HA -0.205 4.146 4.350 0.001 0.000 0.191 421 E C -0.343 176.119 176.600 -0.230 0.000 0.985 421 E CA 0.308 56.326 56.400 -0.637 0.000 0.801 421 E CB -0.090 28.619 29.700 -1.652 0.000 0.750 421 E HN 0.399 nan 8.360 nan 0.000 0.452 422 Y N 2.130 122.347 120.300 -0.138 0.000 2.802 422 Y HA -0.144 4.407 4.550 0.001 0.000 0.333 422 Y C 0.362 176.228 175.900 -0.057 0.000 1.244 422 Y CA 0.917 58.980 58.100 -0.060 0.000 1.558 422 Y CB -0.003 38.447 38.460 -0.016 0.000 1.233 422 Y HN 0.094 nan 8.280 nan 0.000 0.547 423 K N 3.461 123.568 120.400 -0.488 0.000 3.130 423 K HA -0.255 4.066 4.320 0.001 0.000 0.282 423 K C 0.888 177.410 176.600 -0.130 0.000 1.145 423 K CA 0.787 56.848 56.287 -0.376 0.000 0.831 423 K CB -1.779 30.440 32.500 -0.469 0.000 1.226 423 K HN 1.261 nan 8.250 nan 0.000 0.478 424 G N 0.623 109.368 108.800 -0.092 0.000 2.258 424 G HA2 -0.336 3.624 3.960 0.001 0.000 0.274 424 G HA3 -0.336 3.624 3.960 0.001 0.000 0.274 424 G C 0.047 174.920 174.900 -0.046 0.000 1.021 424 G CA 0.858 45.952 45.100 -0.011 0.000 0.798 424 G HN 0.349 nan 8.290 nan 0.000 0.507 425 M N 0.978 120.485 119.600 -0.154 0.000 2.069 425 M HA 0.221 4.702 4.480 0.001 0.000 0.349 425 M C -0.787 175.289 176.300 -0.374 0.000 1.194 425 M CA -1.943 53.110 55.300 -0.412 0.000 1.081 425 M CB 1.440 33.867 32.600 -0.288 0.000 1.500 425 M HN -0.051 nan 8.290 nan 0.000 0.438 426 P HA -0.094 nan 4.420 nan 0.000 0.222 426 P C 1.005 178.186 177.300 -0.199 0.000 1.147 426 P CA 1.251 64.196 63.100 -0.258 0.000 0.790 426 P CB 0.133 31.691 31.700 -0.238 0.000 0.780 427 G N -0.617 108.002 108.800 -0.302 0.000 3.233 427 G HA2 0.318 4.279 3.960 0.001 0.000 0.227 427 G HA3 0.318 4.279 3.960 0.001 0.000 0.227 427 G C 0.630 175.552 174.900 0.037 0.000 1.175 427 G CA 0.083 45.130 45.100 -0.089 0.000 0.781 427 G HN 0.440 nan 8.290 nan 0.000 0.542 428 G N -0.145 108.621 108.800 -0.056 0.000 2.454 428 G HA2 0.662 4.622 3.960 0.001 0.000 0.329 428 G HA3 0.662 4.622 3.960 0.001 0.000 0.329 428 G C -0.864 173.942 174.900 -0.157 0.000 1.177 428 G CA -0.811 44.285 45.100 -0.006 0.000 0.951 428 G HN 0.099 nan 8.290 nan 0.000 0.485 429 R N 1.222 121.577 120.500 -0.242 0.000 2.564 429 R HA 0.430 4.771 4.340 0.001 0.000 0.284 429 R C -1.314 174.950 176.300 -0.060 0.000 1.031 429 R CA -0.822 55.112 56.100 -0.276 0.000 0.904 429 R CB 2.207 32.100 30.300 -0.678 0.000 1.199 429 R HN 0.583 nan 8.270 nan 0.000 0.443 430 N N 1.593 120.281 118.700 -0.020 0.000 2.357 430 N HA 0.352 5.093 4.740 0.001 0.000 0.284 430 N C -1.290 174.092 175.510 -0.214 0.000 1.236 430 N CA -0.829 52.125 53.050 -0.159 0.000 0.774 430 N CB 2.743 41.026 38.487 -0.339 0.000 1.534 430 N HN 0.266 nan 8.380 nan 0.000 0.478 431 L N 1.979 122.929 121.223 -0.456 0.000 2.292 431 L HA 0.486 4.827 4.340 0.001 0.000 0.284 431 L C -1.416 175.073 176.870 -0.635 0.000 1.065 431 L CA 0.048 54.651 54.840 -0.395 0.000 0.806 431 L CB 0.021 41.847 42.059 -0.389 0.000 1.175 431 L HN 0.416 nan 8.230 nan 0.000 0.431 432 Y N 3.164 123.117 120.300 -0.579 0.000 2.605 432 Y HA 0.648 5.199 4.550 0.001 0.000 0.343 432 Y C -0.556 174.976 175.900 -0.613 0.000 1.036 432 Y CA -0.981 56.728 58.100 -0.651 0.000 1.065 432 Y CB 1.680 39.590 38.460 -0.916 0.000 1.288 432 Y HN 0.556 nan 8.280 nan 0.000 0.481 433 K N 1.516 121.747 120.400 -0.282 0.000 2.422 433 K HA 0.802 5.123 4.320 0.001 0.000 0.251 433 K C -1.921 174.634 176.600 -0.076 0.000 0.933 433 K CA -0.761 55.298 56.287 -0.380 0.000 0.798 433 K CB 2.989 35.030 32.500 -0.765 0.000 1.238 433 K HN 0.748 nan 8.250 nan 0.000 0.428 434 I N 1.458 122.058 120.570 0.050 0.000 2.509 434 I HA 0.187 4.358 4.170 0.001 0.000 0.293 434 I C -0.913 175.295 176.117 0.152 0.000 1.020 434 I CA -0.813 60.586 61.300 0.165 0.000 1.088 434 I CB 2.211 40.325 38.000 0.190 0.000 1.267 434 I HN 0.855 nan 8.210 nan 0.000 0.430 435 Q N 6.258 126.127 119.800 0.115 0.000 2.296 435 Q HA 0.222 4.563 4.340 0.001 0.000 0.263 435 Q C 0.184 176.121 176.000 -0.107 0.000 1.026 435 Q CA -0.250 55.433 55.803 -0.200 0.000 0.912 435 Q CB 1.122 29.777 28.738 -0.139 0.000 1.198 435 Q HN 0.834 nan 8.270 nan 0.000 0.407 436 L N 2.569 123.670 121.223 -0.204 0.000 2.362 436 L HA -0.152 4.188 4.340 0.001 0.000 0.219 436 L C 2.094 178.871 176.870 -0.155 0.000 1.134 436 L CA 1.144 55.952 54.840 -0.052 0.000 0.807 436 L CB -0.329 41.660 42.059 -0.116 0.000 0.927 436 L HN 0.666 nan 8.230 nan 0.000 0.447 437 S N -2.822 112.744 115.700 -0.224 0.000 2.503 437 S HA -0.010 4.461 4.470 0.001 0.000 0.217 437 S C 0.612 175.037 174.600 -0.293 0.000 0.999 437 S CA -0.114 57.940 58.200 -0.244 0.000 0.914 437 S CB 0.193 63.284 63.200 -0.183 0.000 0.782 437 S HN 0.323 nan 8.310 nan 0.000 0.520 438 D N -0.091 120.160 120.400 -0.249 0.000 2.323 438 D HA 0.231 4.872 4.640 0.001 0.000 0.242 438 D C -0.540 175.730 176.300 -0.049 0.000 1.347 438 D CA -0.534 53.350 54.000 -0.193 0.000 0.988 438 D CB 0.530 41.271 40.800 -0.098 0.000 1.314 438 D HN -0.010 nan 8.370 nan 0.000 0.564 439 Y N 0.969 121.249 120.300 -0.032 0.000 2.483 439 Y HA -0.122 4.429 4.550 0.001 0.000 0.291 439 Y C 2.610 178.517 175.900 0.012 0.000 1.143 439 Y CA 1.381 59.474 58.100 -0.012 0.000 1.289 439 Y CB -0.898 37.556 38.460 -0.011 0.000 0.983 439 Y HN 0.416 nan 8.280 nan 0.000 0.556 440 T N -2.762 111.874 114.554 0.136 0.000 3.085 440 T HA -0.030 4.321 4.350 0.001 0.000 0.263 440 T C 0.724 175.477 174.700 0.088 0.000 1.127 440 T CA 0.278 62.435 62.100 0.095 0.000 1.103 440 T CB -0.120 68.779 68.868 0.051 0.000 0.921 440 T HN -0.113 nan 8.240 nan 0.000 0.510 441 K N 2.582 123.037 120.400 0.092 0.000 2.229 441 K HA 0.460 4.781 4.320 0.001 0.000 0.247 441 K C -0.991 175.683 176.600 0.123 0.000 1.117 441 K CA -0.270 56.071 56.287 0.091 0.000 1.036 441 K CB 0.948 33.494 32.500 0.077 0.000 1.654 441 K HN 0.204 nan 8.250 nan 0.000 0.405 442 V N 2.213 122.197 119.914 0.118 0.000 2.398 442 V HA 0.314 4.434 4.120 0.001 0.000 0.286 442 V C 0.110 176.265 176.094 0.101 0.000 1.026 442 V CA -0.558 61.824 62.300 0.136 0.000 0.868 442 V CB 1.798 33.718 31.823 0.160 0.000 0.982 442 V HN 0.506 nan 8.190 nan 0.000 0.443 443 T N 3.621 118.210 114.554 0.057 0.000 2.809 443 T HA 0.246 4.596 4.350 0.001 0.000 0.284 443 T C -0.360 174.265 174.700 -0.124 0.000 0.992 443 T CA -0.277 61.806 62.100 -0.028 0.000 0.957 443 T CB 1.178 69.993 68.868 -0.089 0.000 0.942 443 T HN 0.777 nan 8.240 nan 0.000 0.439 444 C N 4.771 123.936 119.300 -0.225 0.000 2.514 444 C HA 0.431 4.892 4.460 0.001 0.000 0.392 444 C C 1.535 176.211 174.990 -0.522 0.000 1.294 444 C CA -0.457 58.160 59.018 -0.669 0.000 1.957 444 C CB -1.503 25.764 27.740 -0.789 0.000 2.541 444 C HN 0.992 nan 8.230 nan 0.000 0.569 445 L N 4.551 125.420 121.223 -0.591 0.000 2.590 445 L HA 0.135 4.476 4.340 0.001 0.000 0.227 445 L C 1.981 178.544 176.870 -0.511 0.000 1.099 445 L CA 0.602 55.184 54.840 -0.430 0.000 0.872 445 L CB -0.102 41.748 42.059 -0.347 0.000 1.088 445 L HN 0.881 nan 8.230 nan 0.000 0.479 446 S N -3.249 112.027 115.700 -0.707 0.000 2.631 446 S HA -0.015 4.456 4.470 0.001 0.000 0.246 446 S C 1.782 175.973 174.600 -0.682 0.000 1.068 446 S CA -0.041 57.638 58.200 -0.868 0.000 0.995 446 S CB -0.297 61.969 63.200 -1.556 0.000 0.944 446 S HN 0.277 nan 8.310 nan 0.000 0.529 447 C N 2.189 121.062 119.300 -0.713 0.000 2.385 447 C HA -0.038 4.423 4.460 0.001 0.000 0.275 447 C C 2.378 177.071 174.990 -0.495 0.000 1.207 447 C CA 1.525 60.053 59.018 -0.817 0.000 1.760 447 C CB -1.097 25.884 27.740 -1.264 0.000 2.051 447 C HN 0.595 nan 8.230 nan 0.000 0.467 448 E N -0.110 119.887 120.200 -0.339 0.000 2.476 448 E HA 0.207 4.557 4.350 0.001 0.000 0.196 448 E C 1.806 178.351 176.600 -0.091 0.000 1.029 448 E CA -0.073 56.233 56.400 -0.157 0.000 0.896 448 E CB -0.252 29.377 29.700 -0.119 0.000 1.012 448 E HN 0.564 nan 8.360 nan 0.000 0.475 449 L N 0.172 121.336 121.223 -0.098 0.000 2.046 449 L HA -0.062 4.278 4.340 0.001 0.000 0.208 449 L C 0.910 177.792 176.870 0.018 0.000 1.077 449 L CA 0.931 55.756 54.840 -0.024 0.000 0.747 449 L CB 0.031 42.095 42.059 0.008 0.000 0.896 449 L HN 0.118 nan 8.230 nan 0.000 0.432 450 N N -1.481 117.244 118.700 0.042 0.000 3.111 450 N HA 0.059 4.800 4.740 0.001 0.000 0.200 450 N C -2.130 173.407 175.510 0.046 0.000 1.464 450 N CA -0.767 52.303 53.050 0.034 0.000 0.758 450 N CB 0.728 39.230 38.487 0.026 0.000 1.548 450 N HN -0.187 nan 8.380 nan 0.000 0.595 451 P HA -0.155 nan 4.420 nan 0.000 0.217 451 P C 0.687 178.031 177.300 0.075 0.000 1.148 451 P CA 1.333 64.487 63.100 0.090 0.000 0.828 451 P CB 0.677 32.449 31.700 0.119 0.000 0.783 452 E N -0.645 119.580 120.200 0.042 0.000 2.112 452 E HA -0.079 4.272 4.350 0.001 0.000 0.190 452 E C 2.424 179.026 176.600 0.004 0.000 0.979 452 E CA 0.448 56.863 56.400 0.026 0.000 0.814 452 E CB -0.139 29.569 29.700 0.014 0.000 0.762 452 E HN 0.180 nan 8.360 nan 0.000 0.460 453 R N -0.189 120.303 120.500 -0.013 0.000 2.156 453 R HA 0.096 4.436 4.340 0.001 0.000 0.207 453 R C -0.132 176.121 176.300 -0.077 0.000 1.040 453 R CA 0.522 56.592 56.100 -0.050 0.000 1.013 453 R CB 0.439 30.700 30.300 -0.064 0.000 0.931 453 R HN 0.068 nan 8.270 nan 0.000 0.465 454 c N 1.102 119.663 118.600 -0.065 0.000 2.316 454 c HA 0.422 4.993 4.570 0.001 0.000 0.324 454 c C 0.102 174.156 174.090 -0.059 0.000 1.226 454 c CA -0.652 55.578 56.329 -0.165 0.000 1.450 454 c CB 1.294 43.655 42.510 -0.248 0.000 2.123 454 c HN 0.539 nan 8.230 nan 0.000 0.454 455 Q N 0.403 120.163 119.800 -0.066 0.000 2.113 455 Q HA 0.184 4.525 4.340 0.001 0.000 0.225 455 Q C -0.861 175.195 176.000 0.093 0.000 0.786 455 Q CA 0.130 55.978 55.803 0.075 0.000 0.989 455 Q CB 1.258 30.059 28.738 0.105 0.000 1.174 455 Q HN 0.802 nan 8.270 nan 0.000 0.470 456 Y N 0.552 120.740 120.300 -0.187 0.000 2.488 456 Y HA 0.365 4.916 4.550 0.001 0.000 0.330 456 Y C -1.535 174.229 175.900 -0.227 0.000 1.013 456 Y CA -1.026 56.997 58.100 -0.128 0.000 1.304 456 Y CB 0.611 39.006 38.460 -0.108 0.000 1.098 456 Y HN -0.083 nan 8.280 nan 0.000 0.498 457 Y N 2.009 122.235 120.300 -0.123 0.000 2.457 457 Y HA 0.644 5.194 4.550 0.001 0.000 0.333 457 Y C 0.322 176.162 175.900 -0.101 0.000 1.119 457 Y CA -0.486 57.555 58.100 -0.098 0.000 1.143 457 Y CB 2.234 40.607 38.460 -0.145 0.000 1.230 457 Y HN 0.426 nan 8.280 nan 0.000 0.469 458 S N 0.981 116.768 115.700 0.145 0.000 2.599 458 S HA 0.828 5.299 4.470 0.001 0.000 0.287 458 S C -1.870 172.800 174.600 0.116 0.000 1.105 458 S CA -0.579 57.688 58.200 0.112 0.000 0.899 458 S CB 1.543 64.816 63.200 0.121 0.000 1.100 458 S HN 0.553 nan 8.310 nan 0.000 0.482 459 V N 1.856 121.841 119.914 0.118 0.000 3.114 459 V HA 0.888 5.008 4.120 0.001 0.000 0.308 459 V C -1.138 175.053 176.094 0.161 0.000 1.168 459 V CA -0.303 62.050 62.300 0.089 0.000 1.015 459 V CB 2.380 34.194 31.823 -0.014 0.000 1.050 459 V HN 0.890 nan 8.190 nan 0.000 0.433 460 S N 4.190 119.979 115.700 0.150 0.000 2.779 460 S HA 0.674 5.145 4.470 0.001 0.000 0.293 460 S C -1.273 173.485 174.600 0.263 0.000 1.150 460 S CA -0.369 58.014 58.200 0.305 0.000 1.057 460 S CB 0.443 63.877 63.200 0.391 0.000 1.021 460 S HN 0.497 nan 8.310 nan 0.000 0.485 461 F N 3.045 123.044 119.950 0.081 0.000 2.377 461 F HA 0.469 4.996 4.527 0.001 0.000 0.328 461 F C 1.402 176.794 175.800 -0.680 0.000 1.094 461 F CA -0.250 57.640 58.000 -0.185 0.000 1.093 461 F CB 1.439 40.318 39.000 -0.202 0.000 1.214 461 F HN 0.624 nan 8.300 nan 0.000 0.518 462 S N 1.988 117.090 115.700 -0.997 0.000 2.617 462 S HA 0.182 4.653 4.470 0.001 0.000 0.259 462 S C 1.292 175.677 174.600 -0.359 0.000 1.301 462 S CA -0.820 56.575 58.200 -1.343 0.000 0.984 462 S CB 0.763 63.184 63.200 -1.299 0.000 0.954 462 S HN 0.535 nan 8.310 nan 0.000 0.572 463 K N 0.965 121.284 120.400 -0.134 0.000 2.049 463 K HA -0.160 4.161 4.320 0.001 0.000 0.219 463 K C 1.091 177.703 176.600 0.020 0.000 1.056 463 K CA 1.879 58.177 56.287 0.018 0.000 0.946 463 K CB -0.576 31.975 32.500 0.085 0.000 0.723 463 K HN 0.706 nan 8.250 nan 0.000 0.453 464 E N -0.903 119.305 120.200 0.013 0.000 2.496 464 E HA 0.247 4.598 4.350 0.001 0.000 0.200 464 E C 0.116 176.715 176.600 -0.003 0.000 1.016 464 E CA 0.233 56.648 56.400 0.024 0.000 0.962 464 E CB 0.508 30.236 29.700 0.047 0.000 1.071 464 E HN 0.281 nan 8.360 nan 0.000 0.457 465 A N 1.207 124.012 122.820 -0.026 0.000 2.847 465 A HA -0.329 3.992 4.320 0.001 0.000 0.263 465 A C 1.546 179.137 177.584 0.012 0.000 1.391 465 A CA 1.706 53.755 52.037 0.019 0.000 0.866 465 A CB -2.079 16.832 19.000 -0.148 0.000 1.057 465 A HN 0.296 nan 8.150 nan 0.000 0.673 466 K N -1.827 118.522 120.400 -0.085 0.000 2.155 466 K HA 0.078 4.399 4.320 0.001 0.000 0.203 466 K C 0.112 176.385 176.600 -0.546 0.000 1.052 466 K CA 1.473 57.593 56.287 -0.279 0.000 0.948 466 K CB -0.022 32.307 32.500 -0.285 0.000 0.728 466 K HN 0.673 nan 8.250 nan 0.000 0.448 467 Y N -1.025 119.225 120.300 -0.083 0.000 2.576 467 Y HA 0.328 4.879 4.550 0.001 0.000 0.346 467 Y C -1.035 174.768 175.900 -0.162 0.000 1.018 467 Y CA -1.335 56.701 58.100 -0.106 0.000 1.050 467 Y CB 1.735 40.170 38.460 -0.041 0.000 1.280 467 Y HN -0.038 nan 8.280 nan 0.000 0.474 468 Y N -1.075 119.174 120.300 -0.084 0.000 2.513 468 Y HA 0.520 5.071 4.550 0.001 0.000 0.340 468 Y C -1.200 174.693 175.900 -0.011 0.000 1.055 468 Y CA -1.514 56.371 58.100 -0.360 0.000 1.020 468 Y CB 1.442 39.125 38.460 -1.295 0.000 1.301 468 Y HN 0.591 nan 8.280 nan 0.000 0.453 469 Q N 3.818 123.738 119.800 0.201 0.000 2.278 469 Q HA 0.543 4.884 4.340 0.001 0.000 0.257 469 Q C -1.695 174.385 176.000 0.133 0.000 0.928 469 Q CA -0.651 55.243 55.803 0.152 0.000 0.932 469 Q CB 1.242 30.058 28.738 0.129 0.000 1.221 469 Q HN 0.964 nan 8.270 nan 0.000 0.434 470 L N 4.003 125.311 121.223 0.142 0.000 2.309 470 L HA 0.513 4.853 4.340 0.001 0.000 0.282 470 L C -0.610 176.316 176.870 0.093 0.000 1.036 470 L CA -0.730 54.185 54.840 0.126 0.000 0.806 470 L CB 1.290 43.401 42.059 0.087 0.000 1.220 470 L HN 0.589 nan 8.230 nan 0.000 0.429 471 R N 2.188 122.714 120.500 0.043 0.000 2.371 471 R HA 0.286 4.627 4.340 0.001 0.000 0.312 471 R C -0.965 175.176 176.300 -0.265 0.000 0.980 471 R CA -0.312 55.632 56.100 -0.261 0.000 0.867 471 R CB 1.321 31.502 30.300 -0.199 0.000 1.163 471 R HN 0.572 nan 8.270 nan 0.000 0.492 472 c N 2.659 120.992 118.600 -0.444 0.000 2.347 472 c HA 0.496 5.067 4.570 0.001 0.000 0.353 472 c C 1.212 175.072 174.090 -0.382 0.000 1.273 472 c CA -0.205 55.762 56.329 -0.603 0.000 1.861 472 c CB -0.058 42.036 42.510 -0.693 0.000 2.420 472 c HN 0.975 nan 8.230 nan 0.000 0.542 473 S N 3.721 119.287 115.700 -0.223 0.000 2.593 473 S HA 0.605 5.076 4.470 0.001 0.000 0.236 473 S C 0.418 174.973 174.600 -0.075 0.000 0.991 473 S CA 0.214 58.342 58.200 -0.119 0.000 0.963 473 S CB 0.047 63.212 63.200 -0.058 0.000 0.865 473 S HN 1.878 nan 8.310 nan 0.000 0.488 474 G N 1.747 110.486 108.800 -0.102 0.000 2.316 474 G HA2 0.402 4.363 3.960 0.001 0.000 0.296 474 G HA3 0.402 4.363 3.960 0.001 0.000 0.296 474 G C -3.000 171.872 174.900 -0.046 0.000 1.399 474 G CA -0.556 44.522 45.100 -0.036 0.000 0.833 474 G HN -0.130 nan 8.290 nan 0.000 0.565 475 P HA 0.112 nan 4.420 nan 0.000 0.229 475 P C 1.276 178.602 177.300 0.042 0.000 1.160 475 P CA 1.336 64.458 63.100 0.037 0.000 0.777 475 P CB 0.393 32.112 31.700 0.032 0.000 0.814 476 G N 0.411 109.173 108.800 -0.064 0.000 2.508 476 G HA2 0.400 4.361 3.960 0.001 0.000 0.278 476 G HA3 0.400 4.361 3.960 0.001 0.000 0.278 476 G C -0.223 174.459 174.900 -0.364 0.000 1.389 476 G CA -0.742 44.252 45.100 -0.177 0.000 1.050 476 G HN 0.040 nan 8.290 nan 0.000 0.522 477 L N 1.051 121.975 121.223 -0.499 0.000 2.461 477 L HA 0.162 4.502 4.340 0.001 0.000 0.272 477 L C -1.865 174.836 176.870 -0.283 0.000 1.197 477 L CA -1.285 53.211 54.840 -0.573 0.000 0.836 477 L CB 0.638 42.432 42.059 -0.441 0.000 1.105 477 L HN 0.233 nan 8.230 nan 0.000 0.477 478 P HA -0.007 nan 4.420 nan 0.000 0.263 478 P C -0.936 176.304 177.300 -0.101 0.000 1.175 478 P CA 0.115 63.138 63.100 -0.128 0.000 0.761 478 P CB 0.495 32.213 31.700 0.029 0.000 0.794 479 L N 5.468 126.554 121.223 -0.228 0.000 2.406 479 L HA 0.479 4.820 4.340 0.001 0.000 0.272 479 L C -1.756 174.983 176.870 -0.218 0.000 0.980 479 L CA -0.679 54.088 54.840 -0.121 0.000 0.831 479 L CB 0.911 42.904 42.059 -0.111 0.000 1.253 479 L HN 0.213 nan 8.230 nan 0.000 0.406 480 Y N 2.800 123.055 120.300 -0.075 0.000 2.335 480 Y HA 0.752 5.303 4.550 0.001 0.000 0.338 480 Y C 0.511 176.312 175.900 -0.164 0.000 0.977 480 Y CA -0.499 57.542 58.100 -0.099 0.000 1.114 480 Y CB 2.067 40.443 38.460 -0.139 0.000 1.182 480 Y HN 0.684 nan 8.280 nan 0.000 0.463 481 T N 0.824 115.390 114.554 0.021 0.000 2.906 481 T HA 0.708 5.059 4.350 0.001 0.000 0.295 481 T C -1.545 173.103 174.700 -0.086 0.000 1.075 481 T CA -0.890 61.169 62.100 -0.069 0.000 1.005 481 T CB 1.983 70.868 68.868 0.029 0.000 1.136 481 T HN 0.373 nan 8.240 nan 0.000 0.498 482 L N 1.725 122.777 121.223 -0.286 0.000 2.334 482 L HA 0.630 4.971 4.340 0.001 0.000 0.276 482 L C -0.778 175.778 176.870 -0.523 0.000 1.014 482 L CA -0.335 54.366 54.840 -0.232 0.000 0.815 482 L CB 1.138 43.087 42.059 -0.184 0.000 1.268 482 L HN 0.846 nan 8.230 nan 0.000 0.428 483 H N 1.514 120.352 119.070 -0.386 0.000 2.928 483 H HA 0.421 4.978 4.556 0.001 0.000 0.371 483 H C -1.182 173.909 175.328 -0.395 0.000 1.186 483 H CA -0.865 54.846 56.048 -0.561 0.000 1.134 483 H CB 2.261 31.296 29.762 -1.211 0.000 1.824 483 H HN 0.517 nan 8.280 nan 0.000 0.554 484 S N 0.300 115.921 115.700 -0.131 0.000 2.451 484 S HA 0.188 4.659 4.470 0.001 0.000 0.301 484 S C 0.737 175.300 174.600 -0.062 0.000 1.116 484 S CA -0.547 57.592 58.200 -0.102 0.000 1.093 484 S CB 1.267 64.443 63.200 -0.039 0.000 1.017 484 S HN 0.610 nan 8.310 nan 0.000 0.482 485 S N 3.565 119.243 115.700 -0.037 0.000 2.387 485 S HA -0.091 4.379 4.470 0.001 0.000 0.226 485 S C 1.959 176.599 174.600 0.066 0.000 1.026 485 S CA 1.023 59.309 58.200 0.144 0.000 0.972 485 S CB -0.414 62.862 63.200 0.127 0.000 0.814 485 S HN 0.672 nan 8.310 nan 0.000 0.477 486 V N 2.712 122.616 119.914 -0.017 0.000 2.278 486 V HA -0.182 3.939 4.120 0.001 0.000 0.251 486 V C 0.855 176.955 176.094 0.009 0.000 1.062 486 V CA 1.845 64.145 62.300 -0.000 0.000 1.038 486 V CB -0.271 31.536 31.823 -0.027 0.000 0.646 486 V HN 0.491 nan 8.190 nan 0.000 0.447 487 N N -0.825 117.878 118.700 0.004 0.000 2.240 487 N HA 0.125 4.866 4.740 0.001 0.000 0.240 487 N C -0.430 175.088 175.510 0.013 0.000 1.277 487 N CA 0.340 53.392 53.050 0.004 0.000 0.873 487 N CB 0.471 38.959 38.487 0.002 0.000 1.222 487 N HN 0.472 nan 8.380 nan 0.000 0.507 488 D N 1.286 121.712 120.400 0.044 0.000 2.686 488 D HA -0.176 4.464 4.640 0.001 0.000 0.235 488 D C -0.154 176.180 176.300 0.056 0.000 1.160 488 D CA 1.115 55.170 54.000 0.091 0.000 0.645 488 D CB -0.730 40.118 40.800 0.079 0.000 1.039 488 D HN 0.367 nan 8.370 nan 0.000 0.423 489 K N 0.075 120.484 120.400 0.016 0.000 2.270 489 K HA 0.353 4.674 4.320 0.001 0.000 0.276 489 K C 1.071 177.640 176.600 -0.052 0.000 1.023 489 K CA -0.089 56.192 56.287 -0.011 0.000 0.955 489 K CB 1.023 33.509 32.500 -0.022 0.000 0.975 489 K HN 0.146 nan 8.250 nan 0.000 0.471 490 G N 3.463 112.209 108.800 -0.090 0.000 2.546 490 G HA2 0.176 4.137 3.960 0.001 0.000 0.320 490 G HA3 0.176 4.137 3.960 0.001 0.000 0.320 490 G C 0.933 175.670 174.900 -0.272 0.000 0.984 490 G CA -0.393 44.529 45.100 -0.297 0.000 1.183 490 G HN 0.551 nan 8.290 nan 0.000 0.443 491 L N 1.444 122.482 121.223 -0.308 0.000 1.976 491 L HA 0.116 4.457 4.340 0.001 0.000 0.209 491 L C 1.768 178.536 176.870 -0.171 0.000 1.071 491 L CA 1.266 55.999 54.840 -0.177 0.000 0.746 491 L CB -0.355 41.626 42.059 -0.130 0.000 0.890 491 L HN 0.679 nan 8.230 nan 0.000 0.432 492 R N -2.051 118.309 120.500 -0.233 0.000 2.741 492 R HA 0.431 4.771 4.340 0.001 0.000 0.276 492 R C -1.623 174.544 176.300 -0.221 0.000 1.028 492 R CA -0.900 55.089 56.100 -0.184 0.000 0.865 492 R CB 1.460 31.686 30.300 -0.124 0.000 1.268 492 R HN -0.247 nan 8.270 nan 0.000 0.475 493 V N 2.754 122.565 119.914 -0.173 0.000 2.406 493 V HA 0.185 4.306 4.120 0.001 0.000 0.272 493 V C 1.333 177.281 176.094 -0.244 0.000 1.043 493 V CA -0.375 61.822 62.300 -0.172 0.000 0.915 493 V CB 1.110 32.867 31.823 -0.109 0.000 0.988 493 V HN 0.627 nan 8.190 nan 0.000 0.466 494 L N 2.697 123.699 121.223 -0.368 0.000 2.168 494 L HA 0.282 4.623 4.340 0.001 0.000 0.203 494 L C 0.741 177.298 176.870 -0.523 0.000 1.078 494 L CA 0.729 55.135 54.840 -0.723 0.000 0.780 494 L CB 0.204 41.451 42.059 -1.353 0.000 0.939 494 L HN 0.689 nan 8.230 nan 0.000 0.451 495 E N -0.097 119.953 120.200 -0.250 0.000 2.343 495 E HA 0.092 4.443 4.350 0.001 0.000 0.288 495 E C -1.216 175.418 176.600 0.056 0.000 0.907 495 E CA -0.377 55.988 56.400 -0.058 0.000 0.792 495 E CB 1.112 30.786 29.700 -0.043 0.000 1.275 495 E HN 0.170 nan 8.360 nan 0.000 0.402 496 D N 3.040 123.454 120.400 0.023 0.000 2.431 496 D HA 0.150 4.791 4.640 0.001 0.000 0.213 496 D C -0.235 176.072 176.300 0.010 0.000 1.130 496 D CA -0.264 53.745 54.000 0.015 0.000 0.834 496 D CB -0.024 40.766 40.800 -0.017 0.000 0.985 496 D HN 0.449 nan 8.370 nan 0.000 0.504 497 N N 0.407 119.128 118.700 0.034 0.000 2.708 497 N HA -0.224 4.516 4.740 0.001 0.000 0.249 497 N C 0.912 176.422 175.510 -0.000 0.000 1.097 497 N CA 0.946 54.010 53.050 0.024 0.000 0.710 497 N CB -1.260 37.233 38.487 0.009 0.000 1.032 497 N HN 0.498 nan 8.380 nan 0.000 0.551 498 S N -1.221 114.480 115.700 0.001 0.000 2.419 498 S HA -0.038 4.432 4.470 0.001 0.000 0.233 498 S C 2.088 176.695 174.600 0.012 0.000 1.016 498 S CA 0.926 59.124 58.200 -0.003 0.000 0.974 498 S CB -0.094 63.104 63.200 -0.002 0.000 0.786 498 S HN 0.511 nan 8.310 nan 0.000 0.492 499 A N 1.923 124.760 122.820 0.028 0.000 1.902 499 A HA 0.079 4.399 4.320 0.001 0.000 0.217 499 A C 2.206 179.826 177.584 0.060 0.000 1.181 499 A CA 1.533 53.597 52.037 0.044 0.000 0.623 499 A CB -0.835 18.197 19.000 0.052 0.000 0.818 499 A HN 0.501 nan 8.150 nan 0.000 0.443 500 L N 0.334 121.592 121.223 0.060 0.000 2.093 500 L HA -0.123 4.218 4.340 0.001 0.000 0.208 500 L C 1.876 178.766 176.870 0.033 0.000 1.085 500 L CA 2.703 57.592 54.840 0.082 0.000 0.755 500 L CB -0.770 41.334 42.059 0.076 0.000 0.904 500 L HN 0.516 nan 8.230 nan 0.000 0.435 501 D N -0.666 119.727 120.400 -0.011 0.000 2.123 501 D HA -0.289 4.352 4.640 0.001 0.000 0.196 501 D C 2.274 178.568 176.300 -0.010 0.000 0.992 501 D CA 1.657 55.634 54.000 -0.039 0.000 0.833 501 D CB -0.069 40.700 40.800 -0.051 0.000 0.954 501 D HN 0.340 nan 8.370 nan 0.000 0.455 502 K N -0.506 119.902 120.400 0.014 0.000 2.057 502 K HA -0.160 4.161 4.320 0.001 0.000 0.207 502 K C 2.185 178.813 176.600 0.047 0.000 1.049 502 K CA 1.186 57.489 56.287 0.027 0.000 0.931 502 K CB -0.099 32.422 32.500 0.034 0.000 0.714 502 K HN 0.227 nan 8.250 nan 0.000 0.440 503 M N 0.612 120.261 119.600 0.081 0.000 2.175 503 M HA -0.137 4.344 4.480 0.001 0.000 0.264 503 M C 1.966 178.300 176.300 0.056 0.000 1.063 503 M CA 1.331 56.714 55.300 0.138 0.000 1.119 503 M CB -0.084 32.685 32.600 0.281 0.000 1.377 503 M HN 0.169 nan 8.290 nan 0.000 0.415 504 L N -0.313 120.889 121.223 -0.035 0.000 2.362 504 L HA -0.179 4.161 4.340 0.001 0.000 0.219 504 L C 2.260 179.091 176.870 -0.065 0.000 1.134 504 L CA 0.799 55.559 54.840 -0.134 0.000 0.807 504 L CB -0.614 41.368 42.059 -0.129 0.000 0.927 504 L HN 0.418 nan 8.230 nan 0.000 0.447 505 Q N 0.082 119.870 119.800 -0.021 0.000 2.226 505 Q HA -0.123 4.218 4.340 0.001 0.000 0.204 505 Q C 1.048 177.055 176.000 0.012 0.000 0.975 505 Q CA 0.924 56.724 55.803 -0.006 0.000 0.866 505 Q CB -0.083 28.659 28.738 0.005 0.000 0.915 505 Q HN 0.578 nan 8.270 nan 0.000 0.440 506 N N 0.179 118.895 118.700 0.028 0.000 2.314 506 N HA 0.070 4.811 4.740 0.001 0.000 0.200 506 N C -0.624 174.920 175.510 0.056 0.000 1.135 506 N CA 0.257 53.338 53.050 0.052 0.000 0.835 506 N CB 1.034 39.568 38.487 0.079 0.000 0.989 506 N HN -0.042 nan 8.380 nan 0.000 0.478 507 V N 0.936 120.860 119.914 0.016 0.000 2.656 507 V HA 0.205 4.326 4.120 0.001 0.000 0.307 507 V C 0.007 176.105 176.094 0.007 0.000 1.051 507 V CA -0.893 61.419 62.300 0.019 0.000 0.893 507 V CB 2.603 34.389 31.823 -0.061 0.000 0.999 507 V HN -0.006 nan 8.190 nan 0.000 0.426 508 Q N 4.246 124.068 119.800 0.036 0.000 2.513 508 Q HA 0.330 4.670 4.340 0.001 0.000 0.227 508 Q C -0.476 175.510 176.000 -0.024 0.000 1.257 508 Q CA -0.162 55.639 55.803 -0.004 0.000 0.915 508 Q CB 0.391 29.153 28.738 0.041 0.000 1.507 508 Q HN 0.518 nan 8.270 nan 0.000 0.543 509 M N 3.784 123.347 119.600 -0.061 0.000 2.250 509 M HA 0.344 4.824 4.480 0.001 0.000 0.344 509 M C -1.950 174.288 176.300 -0.103 0.000 1.150 509 M CA -2.398 52.857 55.300 -0.075 0.000 1.147 509 M CB 0.116 32.672 32.600 -0.072 0.000 1.498 509 M HN 0.300 nan 8.290 nan 0.000 0.461 510 P HA 0.249 nan 4.420 nan 0.000 0.276 510 P C -0.808 176.410 177.300 -0.137 0.000 1.261 510 P CA -0.330 62.687 63.100 -0.138 0.000 0.800 510 P CB 0.668 32.276 31.700 -0.153 0.000 1.066 511 S N -0.490 115.114 115.700 -0.160 0.000 2.704 511 S HA 0.626 5.096 4.470 0.001 0.000 0.305 511 S C -0.535 173.966 174.600 -0.164 0.000 1.107 511 S CA -0.808 57.308 58.200 -0.140 0.000 0.993 511 S CB 1.780 64.894 63.200 -0.144 0.000 1.110 511 S HN 0.514 nan 8.310 nan 0.000 0.534 512 K N 0.487 120.814 120.400 -0.123 0.000 2.376 512 K HA 0.406 4.727 4.320 0.001 0.000 0.257 512 K C -1.322 175.219 176.600 -0.100 0.000 0.939 512 K CA -0.526 55.693 56.287 -0.112 0.000 0.809 512 K CB 1.367 33.823 32.500 -0.073 0.000 1.121 512 K HN 0.706 nan 8.250 nan 0.000 0.425 513 K N 5.221 125.553 120.400 -0.113 0.000 2.274 513 K HA 0.310 4.631 4.320 0.001 0.000 0.262 513 K C -1.576 174.988 176.600 -0.060 0.000 0.961 513 K CA -0.816 55.414 56.287 -0.094 0.000 0.833 513 K CB 1.013 33.433 32.500 -0.134 0.000 1.102 513 K HN 0.463 nan 8.250 nan 0.000 0.436 514 L N 4.335 125.541 121.223 -0.029 0.000 2.319 514 L HA 0.507 4.847 4.340 0.001 0.000 0.281 514 L C -1.100 175.776 176.870 0.009 0.000 1.005 514 L CA 0.154 55.009 54.840 0.025 0.000 0.828 514 L CB 1.290 43.425 42.059 0.127 0.000 1.227 514 L HN 0.807 nan 8.230 nan 0.000 0.415 515 D N 2.843 123.082 120.400 -0.269 0.000 2.921 515 D HA 0.529 5.170 4.640 0.001 0.000 0.329 515 D C -1.536 174.391 176.300 -0.622 0.000 1.293 515 D CA -0.023 53.710 54.000 -0.445 0.000 0.964 515 D CB 1.765 42.262 40.800 -0.505 0.000 1.435 515 D HN 0.231 nan 8.370 nan 0.000 0.548 516 F N -0.363 119.260 119.950 -0.544 0.000 2.643 516 F HA 0.720 5.248 4.527 0.001 0.000 0.314 516 F C -0.887 174.992 175.800 0.132 0.000 1.096 516 F CA -1.071 56.723 58.000 -0.345 0.000 0.953 516 F CB 1.011 39.359 39.000 -1.086 0.000 1.345 516 F HN 0.276 nan 8.300 nan 0.000 0.468 517 I N 0.219 121.114 120.570 0.542 0.000 2.892 517 I HA 0.646 4.817 4.170 0.001 0.000 0.306 517 I C -1.372 175.000 176.117 0.425 0.000 1.078 517 I CA -1.251 60.289 61.300 0.401 0.000 1.032 517 I CB 2.297 40.467 38.000 0.284 0.000 1.229 517 I HN 0.439 nan 8.210 nan 0.000 0.435 518 I N 4.816 125.564 120.570 0.296 0.000 2.359 518 I HA 0.464 4.635 4.170 0.001 0.000 0.294 518 I C -0.410 175.849 176.117 0.236 0.000 0.987 518 I CA -0.653 60.795 61.300 0.246 0.000 1.225 518 I CB 1.261 39.361 38.000 0.167 0.000 1.366 518 I HN 0.504 nan 8.210 nan 0.000 0.466 519 L N 6.122 127.537 121.223 0.319 0.000 2.415 519 L HA 0.352 4.692 4.340 0.001 0.000 0.268 519 L C -0.161 176.849 176.870 0.234 0.000 0.984 519 L CA -0.565 54.437 54.840 0.269 0.000 0.853 519 L CB 0.975 43.225 42.059 0.317 0.000 1.215 519 L HN 0.601 nan 8.230 nan 0.000 0.419 520 N N 2.646 121.420 118.700 0.123 0.000 2.708 520 N HA -0.214 4.526 4.740 0.001 0.000 0.255 520 N C 0.457 176.010 175.510 0.071 0.000 1.046 520 N CA 1.219 54.318 53.050 0.082 0.000 0.715 520 N CB -0.447 38.082 38.487 0.071 0.000 0.895 520 N HN 0.819 nan 8.380 nan 0.000 0.545 521 E N -3.447 116.789 120.200 0.059 0.000 3.799 521 E HA -0.238 4.112 4.350 0.001 0.000 0.320 521 E C -0.362 176.236 176.600 -0.003 0.000 0.760 521 E CA 1.934 58.351 56.400 0.027 0.000 1.153 521 E CB -1.255 28.453 29.700 0.013 0.000 1.589 521 E HN 0.608 nan 8.360 nan 0.000 0.448 522 T N 0.952 115.512 114.554 0.010 0.000 2.824 522 T HA 0.420 4.770 4.350 0.001 0.000 0.280 522 T C -0.136 174.424 174.700 -0.233 0.000 0.995 522 T CA -0.860 61.150 62.100 -0.149 0.000 1.009 522 T CB 1.227 69.956 68.868 -0.230 0.000 0.955 522 T HN 0.181 nan 8.240 nan 0.000 0.452 523 K N 2.399 122.578 120.400 -0.367 0.000 2.201 523 K HA 0.552 4.873 4.320 0.001 0.000 0.278 523 K C -1.356 174.950 176.600 -0.490 0.000 1.027 523 K CA -0.492 55.596 56.287 -0.332 0.000 0.909 523 K CB 0.693 32.844 32.500 -0.583 0.000 1.062 523 K HN 0.376 nan 8.250 nan 0.000 0.465 524 F N 1.823 121.847 119.950 0.124 0.000 2.529 524 F HA 0.352 4.880 4.527 0.001 0.000 0.320 524 F C -0.750 175.212 175.800 0.269 0.000 1.118 524 F CA -0.801 57.317 58.000 0.197 0.000 0.915 524 F CB 1.187 40.330 39.000 0.237 0.000 1.161 524 F HN 0.526 nan 8.300 nan 0.000 0.445 525 W N 3.497 125.003 121.300 0.343 0.000 2.313 525 W HA 0.523 5.184 4.660 0.001 0.000 0.328 525 W C -0.638 176.133 176.519 0.420 0.000 1.197 525 W CA -0.627 56.923 57.345 0.343 0.000 1.235 525 W CB 0.598 30.172 29.460 0.190 0.000 1.158 525 W HN 0.436 nan 8.180 nan 0.000 0.578 526 Y N -0.502 120.174 120.300 0.627 0.000 2.615 526 Y HA 0.678 5.229 4.550 0.001 0.000 0.341 526 Y C -0.969 175.169 175.900 0.398 0.000 1.089 526 Y CA -1.900 56.550 58.100 0.583 0.000 1.049 526 Y CB 1.116 40.068 38.460 0.821 0.000 1.296 526 Y HN 0.567 nan 8.280 nan 0.000 0.470 527 Q N 1.904 121.960 119.800 0.427 0.000 2.421 527 Q HA 0.771 5.112 4.340 0.001 0.000 0.280 527 Q C -1.784 174.344 176.000 0.215 0.000 1.085 527 Q CA -1.191 54.734 55.803 0.204 0.000 0.807 527 Q CB 3.379 32.199 28.738 0.137 0.000 1.405 527 Q HN 0.854 nan 8.270 nan 0.000 0.419 528 M N 2.204 121.846 119.600 0.070 0.000 2.327 528 M HA 0.426 4.907 4.480 0.001 0.000 0.298 528 M C -1.345 174.881 176.300 -0.123 0.000 1.065 528 M CA -0.933 54.342 55.300 -0.042 0.000 0.916 528 M CB 2.195 34.729 32.600 -0.110 0.000 1.630 528 M HN 0.605 nan 8.290 nan 0.000 0.442 529 I N 5.116 125.610 120.570 -0.127 0.000 2.301 529 I HA 0.352 4.523 4.170 0.001 0.000 0.292 529 I C -0.378 175.590 176.117 -0.248 0.000 1.046 529 I CA -0.281 60.920 61.300 -0.165 0.000 1.282 529 I CB 0.300 38.224 38.000 -0.127 0.000 1.409 529 I HN 0.624 nan 8.210 nan 0.000 0.484 530 L N 8.425 129.444 121.223 -0.340 0.000 2.307 530 L HA 0.451 4.791 4.340 0.001 0.000 0.282 530 L C -2.167 174.512 176.870 -0.318 0.000 1.051 530 L CA -1.817 52.721 54.840 -0.504 0.000 0.804 530 L CB 1.165 42.706 42.059 -0.863 0.000 1.197 530 L HN 0.259 nan 8.230 nan 0.000 0.431 531 P HA 0.074 nan 4.420 nan 0.000 0.269 531 P C -2.474 174.799 177.300 -0.046 0.000 1.217 531 P CA -0.803 62.239 63.100 -0.096 0.000 0.783 531 P CB -0.151 31.546 31.700 -0.005 0.000 0.898 532 P HA -0.031 nan 4.420 nan 0.000 0.268 532 P C -0.273 177.009 177.300 -0.031 0.000 1.208 532 P CA 0.683 63.692 63.100 -0.151 0.000 0.777 532 P CB -0.141 31.444 31.700 -0.191 0.000 0.875 533 H N -1.283 117.826 119.070 0.065 0.000 2.741 533 H HA -0.210 4.347 4.556 0.001 0.000 0.305 533 H C 0.124 175.519 175.328 0.111 0.000 1.169 533 H CA -0.018 56.073 56.048 0.072 0.000 1.144 533 H CB -2.175 27.620 29.762 0.056 0.000 1.397 533 H HN 0.384 nan 8.280 nan 0.000 0.409 534 F N 2.404 122.354 119.950 0.000 0.000 2.623 534 F HA 0.072 4.600 4.527 0.001 0.000 0.386 534 F C 0.658 176.478 175.800 0.033 0.000 1.068 534 F CA 0.198 58.156 58.000 -0.072 0.000 1.265 534 F CB 0.491 39.339 39.000 -0.254 0.000 1.026 534 F HN 0.164 nan 8.300 nan 0.000 0.568 535 D N 6.268 126.355 120.400 -0.521 0.000 2.462 535 D HA 0.123 4.763 4.640 0.001 0.000 0.245 535 D C 0.612 176.557 176.300 -0.591 0.000 1.122 535 D CA -0.526 53.247 54.000 -0.379 0.000 0.864 535 D CB 1.038 41.765 40.800 -0.122 0.000 1.098 535 D HN 0.679 nan 8.370 nan 0.000 0.541 536 K N 1.085 121.158 120.400 -0.546 0.000 2.442 536 K HA -0.116 4.204 4.320 0.001 0.000 0.198 536 K C 1.070 177.657 176.600 -0.021 0.000 1.044 536 K CA 0.928 57.056 56.287 -0.265 0.000 0.948 536 K CB -0.142 32.341 32.500 -0.028 0.000 0.762 536 K HN 0.216 nan 8.250 nan 0.000 0.472 537 S N 0.086 115.743 115.700 -0.072 0.000 2.593 537 S HA 0.102 4.572 4.470 0.001 0.000 0.217 537 S C 0.186 174.750 174.600 -0.060 0.000 0.966 537 S CA -0.511 57.668 58.200 -0.035 0.000 0.914 537 S CB -0.027 63.147 63.200 -0.043 0.000 0.776 537 S HN 0.224 nan 8.310 nan 0.000 0.523 538 K N 1.011 121.353 120.400 -0.097 0.000 2.221 538 K HA 0.483 4.804 4.320 0.001 0.000 0.243 538 K C -0.803 175.709 176.600 -0.147 0.000 0.968 538 K CA -0.998 55.170 56.287 -0.198 0.000 0.846 538 K CB 0.842 33.100 32.500 -0.402 0.000 1.141 538 K HN -0.075 nan 8.250 nan 0.000 0.434 539 K N 2.227 122.502 120.400 -0.208 0.000 2.234 539 K HA 0.283 4.604 4.320 0.001 0.000 0.277 539 K C -0.913 175.567 176.600 -0.200 0.000 1.038 539 K CA -0.288 55.941 56.287 -0.096 0.000 0.888 539 K CB 0.544 32.988 32.500 -0.093 0.000 1.091 539 K HN 0.482 nan 8.250 nan 0.000 0.467 540 Y N 3.118 123.435 120.300 0.029 0.000 2.387 540 Y HA 0.285 4.835 4.550 0.001 0.000 0.336 540 Y C -1.720 174.114 175.900 -0.109 0.000 1.067 540 Y CA -2.190 55.908 58.100 -0.004 0.000 1.114 540 Y CB 1.345 39.877 38.460 0.120 0.000 1.208 540 Y HN 0.457 nan 8.280 nan 0.000 0.458 541 P HA 0.150 nan 4.420 nan 0.000 0.272 541 P C -1.137 176.013 177.300 -0.250 0.000 1.230 541 P CA -0.194 62.614 63.100 -0.487 0.000 0.788 541 P CB 1.643 32.664 31.700 -1.133 0.000 0.949 542 L N 1.916 123.027 121.223 -0.187 0.000 2.410 542 L HA 0.520 4.860 4.340 0.001 0.000 0.270 542 L C -1.321 175.732 176.870 0.305 0.000 0.983 542 L CA -1.175 53.710 54.840 0.074 0.000 0.822 542 L CB 1.870 43.978 42.059 0.082 0.000 1.285 542 L HN 0.157 nan 8.230 nan 0.000 0.409 543 L N 5.357 126.775 121.223 0.325 0.000 2.298 543 L HA 0.514 4.855 4.340 0.001 0.000 0.284 543 L C -1.282 175.820 176.870 0.387 0.000 1.013 543 L CA -0.312 54.778 54.840 0.416 0.000 0.824 543 L CB 1.568 43.828 42.059 0.335 0.000 1.221 543 L HN 0.626 nan 8.230 nan 0.000 0.418 544 L N 5.061 126.558 121.223 0.457 0.000 2.278 544 L HA 0.415 4.756 4.340 0.001 0.000 0.287 544 L C -0.589 176.521 176.870 0.400 0.000 1.072 544 L CA 0.210 55.305 54.840 0.424 0.000 0.819 544 L CB 0.674 43.023 42.059 0.483 0.000 1.176 544 L HN 0.649 nan 8.230 nan 0.000 0.435 545 D N 4.575 125.187 120.400 0.354 0.000 2.313 545 D HA 0.369 5.010 4.640 0.001 0.000 0.239 545 D C -1.091 175.291 176.300 0.138 0.000 1.142 545 D CA -0.050 54.086 54.000 0.226 0.000 0.847 545 D CB 1.046 42.046 40.800 0.334 0.000 1.082 545 D HN 0.274 nan 8.370 nan 0.000 0.480 546 V N 5.420 125.341 119.914 0.012 0.000 2.735 546 V HA 0.315 4.436 4.120 0.001 0.000 0.310 546 V C -0.215 175.962 176.094 0.139 0.000 1.061 546 V CA -0.720 61.648 62.300 0.113 0.000 0.913 546 V CB 1.615 33.507 31.823 0.116 0.000 1.005 546 V HN 0.644 nan 8.190 nan 0.000 0.428 547 Y N 3.275 123.642 120.300 0.112 0.000 3.059 547 Y HA 0.522 5.073 4.550 0.001 0.000 0.212 547 Y C 1.684 177.725 175.900 0.234 0.000 0.947 547 Y CA 1.083 59.277 58.100 0.157 0.000 1.571 547 Y CB 0.283 38.818 38.460 0.124 0.000 1.432 547 Y HN 0.732 nan 8.280 nan 0.000 0.450 548 A N 0.941 123.862 122.820 0.168 0.000 2.861 548 A HA -0.182 4.139 4.320 0.001 0.000 0.261 548 A C 0.906 178.314 177.584 -0.294 0.000 1.351 548 A CA 0.855 52.924 52.037 0.053 0.000 0.904 548 A CB -2.542 16.549 19.000 0.151 0.000 1.076 548 A HN 0.932 nan 8.150 nan 0.000 0.729 549 G N -0.451 107.920 108.800 -0.715 0.000 2.667 549 G HA2 0.453 4.414 3.960 0.001 0.000 0.250 549 G HA3 0.453 4.414 3.960 0.001 0.000 0.250 549 G C -1.836 172.704 174.900 -0.601 0.000 1.212 549 G CA -0.422 43.856 45.100 -1.371 0.000 0.874 549 G HN 0.414 nan 8.290 nan 0.000 0.561 550 P HA 0.060 nan 4.420 nan 0.000 0.267 550 P C 0.524 177.655 177.300 -0.283 0.000 1.205 550 P CA 0.120 62.898 63.100 -0.537 0.000 0.765 550 P CB 0.804 31.798 31.700 -1.177 0.000 0.828 551 C N 2.402 121.627 119.300 -0.126 0.000 4.454 551 C HA -0.117 4.344 4.460 0.001 0.000 0.301 551 C C 0.811 175.861 174.990 0.100 0.000 1.366 551 C CA 1.097 60.047 59.018 -0.113 0.000 2.016 551 C CB -2.688 24.892 27.740 -0.267 0.000 1.253 551 C HN 0.810 nan 8.230 nan 0.000 0.770 552 S N -0.025 115.773 115.700 0.164 0.000 2.704 552 S HA 0.791 5.262 4.470 0.001 0.000 0.305 552 S C -0.863 173.923 174.600 0.311 0.000 1.107 552 S CA -0.322 58.070 58.200 0.320 0.000 0.993 552 S CB 1.975 65.433 63.200 0.430 0.000 1.110 552 S HN 0.798 nan 8.310 nan 0.000 0.534 553 Q N -0.208 119.792 119.800 0.333 0.000 2.263 553 Q HA 0.399 4.739 4.340 0.001 0.000 0.262 553 Q C -0.894 175.236 176.000 0.218 0.000 0.984 553 Q CA -0.542 55.439 55.803 0.297 0.000 0.813 553 Q CB 1.369 30.332 28.738 0.374 0.000 1.299 553 Q HN 0.693 nan 8.270 nan 0.000 0.428 554 K N 1.119 121.643 120.400 0.208 0.000 2.402 554 K HA 0.364 4.684 4.320 0.001 0.000 0.203 554 K C -0.669 176.039 176.600 0.181 0.000 1.077 554 K CA 0.326 56.725 56.287 0.187 0.000 1.051 554 K CB 1.521 34.158 32.500 0.228 0.000 0.907 554 K HN 0.547 nan 8.250 nan 0.000 0.554 555 A N 2.662 125.598 122.820 0.194 0.000 2.277 555 A HA 0.448 4.769 4.320 0.001 0.000 0.318 555 A C -0.871 176.789 177.584 0.126 0.000 1.339 555 A CA -0.514 51.643 52.037 0.199 0.000 0.875 555 A CB 0.251 19.433 19.000 0.304 0.000 1.158 555 A HN 0.246 nan 8.150 nan 0.000 0.514 556 D N -0.073 120.371 120.400 0.073 0.000 2.752 556 D HA 0.417 5.058 4.640 0.001 0.000 0.313 556 D C 0.341 176.644 176.300 0.005 0.000 1.225 556 D CA 0.271 54.293 54.000 0.037 0.000 0.976 556 D CB 0.332 41.137 40.800 0.009 0.000 1.443 556 D HN 0.176 nan 8.370 nan 0.000 0.515 557 T N -2.231 112.336 114.554 0.021 0.000 3.206 557 T HA 0.331 4.682 4.350 0.001 0.000 0.253 557 T C 0.373 175.028 174.700 -0.076 0.000 1.042 557 T CA -0.390 61.719 62.100 0.015 0.000 0.931 557 T CB -0.700 68.224 68.868 0.093 0.000 1.029 557 T HN 0.269 nan 8.240 nan 0.000 0.564 558 V N 2.576 122.344 119.914 -0.243 0.000 2.614 558 V HA 0.343 4.464 4.120 0.001 0.000 0.291 558 V C 0.089 176.119 176.094 -0.106 0.000 1.049 558 V CA -1.018 61.104 62.300 -0.296 0.000 1.038 558 V CB 0.166 31.689 31.823 -0.500 0.000 0.980 558 V HN 0.571 nan 8.190 nan 0.000 0.481 559 F N 6.404 126.256 119.950 -0.163 0.000 2.427 559 F HA 0.578 5.106 4.527 0.001 0.000 0.352 559 F C 0.475 176.218 175.800 -0.096 0.000 1.100 559 F CA -0.152 57.779 58.000 -0.115 0.000 1.191 559 F CB 0.299 39.239 39.000 -0.099 0.000 1.128 559 F HN 0.428 nan 8.300 nan 0.000 0.533 560 R N 6.603 126.594 120.500 -0.848 0.000 2.651 560 R HA 0.534 4.874 4.340 0.001 0.000 0.278 560 R C -1.721 174.152 176.300 -0.712 0.000 1.010 560 R CA -1.061 54.699 56.100 -0.566 0.000 0.896 560 R CB 2.164 32.299 30.300 -0.275 0.000 1.211 560 R HN 0.661 nan 8.270 nan 0.000 0.456 561 L N 4.000 124.995 121.223 -0.380 0.000 2.318 561 L HA 0.433 4.774 4.340 0.001 0.000 0.277 561 L C -0.632 176.223 176.870 -0.025 0.000 1.008 561 L CA -0.687 53.978 54.840 -0.291 0.000 0.846 561 L CB 0.756 42.784 42.059 -0.052 0.000 1.220 561 L HN 0.769 nan 8.230 nan 0.000 0.423 562 N N 0.368 118.990 118.700 -0.130 0.000 3.418 562 N HA 0.161 4.902 4.740 0.001 0.000 0.316 562 N C 0.174 175.370 175.510 -0.523 0.000 1.601 562 N CA -0.883 52.010 53.050 -0.261 0.000 0.805 562 N CB 0.163 38.597 38.487 -0.088 0.000 1.873 562 N HN 0.315 nan 8.380 nan 0.000 0.615 563 W N 0.717 121.411 121.300 -1.011 0.000 2.338 563 W HA 0.104 4.765 4.660 0.001 0.000 0.304 563 W C 2.086 178.556 176.519 -0.082 0.000 1.212 563 W CA 3.018 60.007 57.345 -0.593 0.000 1.264 563 W CB -1.043 28.214 29.460 -0.338 0.000 1.142 563 W HN 0.707 nan 8.180 nan 0.000 0.512 564 A N -0.591 122.217 122.820 -0.021 0.000 1.978 564 A HA -0.215 4.105 4.320 0.001 0.000 0.220 564 A C 1.940 179.431 177.584 -0.155 0.000 1.170 564 A CA 2.499 54.460 52.037 -0.127 0.000 0.636 564 A CB -1.277 17.728 19.000 0.009 0.000 0.810 564 A HN 0.310 nan 8.150 nan 0.000 0.448 565 T N -1.243 113.233 114.554 -0.129 0.000 2.708 565 T HA -0.202 4.149 4.350 0.001 0.000 0.266 565 T C 1.808 176.537 174.700 0.048 0.000 1.037 565 T CA 1.738 63.736 62.100 -0.169 0.000 1.146 565 T CB -0.483 68.100 68.868 -0.474 0.000 0.865 565 T HN 0.689 nan 8.240 nan 0.000 0.435 566 Y N 2.093 122.484 120.300 0.151 0.000 2.145 566 Y HA -0.046 4.505 4.550 0.001 0.000 0.286 566 Y C 1.972 177.862 175.900 -0.016 0.000 1.145 566 Y CA 0.968 59.185 58.100 0.195 0.000 1.148 566 Y CB -0.800 37.757 38.460 0.162 0.000 0.981 566 Y HN 0.114 nan 8.280 nan 0.000 0.507 567 L N 0.238 121.043 121.223 -0.698 0.000 2.042 567 L HA -0.238 4.103 4.340 0.001 0.000 0.210 567 L C 2.819 179.439 176.870 -0.418 0.000 1.076 567 L CA 1.395 55.758 54.840 -0.795 0.000 0.749 567 L CB -0.993 40.643 42.059 -0.705 0.000 0.893 567 L HN 0.428 nan 8.230 nan 0.000 0.432 568 A N -1.268 121.392 122.820 -0.266 0.000 1.874 568 A HA -0.176 4.145 4.320 0.001 0.000 0.214 568 A C 2.516 180.035 177.584 -0.109 0.000 1.189 568 A CA 1.707 53.645 52.037 -0.164 0.000 0.615 568 A CB -0.656 18.249 19.000 -0.159 0.000 0.830 568 A HN 0.323 nan 8.150 nan 0.000 0.443 569 S N -1.195 114.460 115.700 -0.076 0.000 2.368 569 S HA -0.116 4.355 4.470 0.001 0.000 0.224 569 S C 1.958 176.574 174.600 0.026 0.000 1.029 569 S CA 2.291 60.496 58.200 0.008 0.000 0.988 569 S CB -0.348 62.917 63.200 0.110 0.000 0.838 569 S HN 0.586 nan 8.310 nan 0.000 0.462 570 T N 1.009 115.546 114.554 -0.027 0.000 3.021 570 T HA 0.191 4.542 4.350 0.001 0.000 0.245 570 T C 1.408 176.067 174.700 -0.067 0.000 1.028 570 T CA 0.434 62.534 62.100 -0.000 0.000 1.139 570 T CB -0.076 68.859 68.868 0.112 0.000 0.884 570 T HN 0.278 nan 8.240 nan 0.000 0.457 571 E N 1.353 121.419 120.200 -0.223 0.000 2.474 571 E HA 0.159 4.510 4.350 0.001 0.000 0.194 571 E C 0.085 176.664 176.600 -0.036 0.000 1.041 571 E CA -0.041 56.276 56.400 -0.140 0.000 0.874 571 E CB -0.321 29.232 29.700 -0.245 0.000 0.914 571 E HN 0.549 nan 8.360 nan 0.000 0.498 572 N N 0.365 119.057 118.700 -0.014 0.000 2.754 572 N HA -0.190 4.551 4.740 0.001 0.000 0.248 572 N C -0.798 174.794 175.510 0.136 0.000 1.093 572 N CA 0.138 53.251 53.050 0.105 0.000 0.699 572 N CB -1.164 37.425 38.487 0.170 0.000 1.016 572 N HN 0.169 nan 8.380 nan 0.000 0.552 573 I N 1.051 121.631 120.570 0.015 0.000 2.412 573 I HA 0.357 4.528 4.170 0.001 0.000 0.296 573 I C 0.579 176.679 176.117 -0.028 0.000 0.987 573 I CA -0.770 60.544 61.300 0.023 0.000 1.180 573 I CB 1.359 39.380 38.000 0.036 0.000 1.340 573 I HN 0.020 nan 8.210 nan 0.000 0.455 574 I N 6.364 126.929 120.570 -0.008 0.000 2.416 574 I HA 0.171 4.342 4.170 0.001 0.000 0.288 574 I C -0.448 175.659 176.117 -0.017 0.000 1.051 574 I CA -0.434 60.823 61.300 -0.071 0.000 1.375 574 I CB 1.008 38.976 38.000 -0.053 0.000 1.407 574 I HN 0.182 nan 8.210 nan 0.000 0.516 575 V N 6.730 126.621 119.914 -0.040 0.000 2.334 575 V HA 0.582 4.703 4.120 0.001 0.000 0.281 575 V C 0.373 176.495 176.094 0.046 0.000 1.016 575 V CA -0.436 61.888 62.300 0.041 0.000 0.832 575 V CB 1.103 32.946 31.823 0.033 0.000 0.999 575 V HN 0.846 nan 8.190 nan 0.000 0.439 576 A N 4.013 126.885 122.820 0.088 0.000 2.330 576 A HA 0.946 5.267 4.320 0.001 0.000 0.329 576 A C -0.117 177.619 177.584 0.253 0.000 1.135 576 A CA -0.505 51.583 52.037 0.085 0.000 0.817 576 A CB 1.641 20.534 19.000 -0.178 0.000 1.269 576 A HN 0.675 nan 8.150 nan 0.000 0.469 577 S N -0.296 115.604 115.700 0.333 0.000 2.540 577 S HA 0.709 5.179 4.470 0.001 0.000 0.275 577 S C -1.531 173.421 174.600 0.586 0.000 1.123 577 S CA -0.294 58.147 58.200 0.402 0.000 0.907 577 S CB 1.268 64.645 63.200 0.294 0.000 1.081 577 S HN 0.756 nan 8.310 nan 0.000 0.476 578 F N 1.976 122.162 119.950 0.394 0.000 2.556 578 F HA 0.521 5.049 4.527 0.001 0.000 0.314 578 F C -1.467 174.538 175.800 0.342 0.000 1.106 578 F CA -0.813 57.445 58.000 0.430 0.000 0.911 578 F CB 1.480 40.713 39.000 0.389 0.000 1.190 578 F HN 0.377 nan 8.300 nan 0.000 0.448 579 D N 4.419 124.604 120.400 -0.358 0.000 2.454 579 D HA 0.405 5.045 4.640 0.001 0.000 0.225 579 D C 0.307 176.263 176.300 -0.573 0.000 1.081 579 D CA 0.116 53.967 54.000 -0.248 0.000 0.864 579 D CB 1.503 42.341 40.800 0.063 0.000 1.040 579 D HN 0.777 nan 8.370 nan 0.000 0.517 580 G N 1.325 109.862 108.800 -0.438 0.000 2.782 580 G HA2 0.322 4.282 3.960 0.001 0.000 0.201 580 G HA3 0.322 4.282 3.960 0.001 0.000 0.201 580 G C 0.053 174.931 174.900 -0.038 0.000 1.374 580 G CA -0.738 44.131 45.100 -0.385 0.000 1.039 580 G HN 0.283 nan 8.290 nan 0.000 0.576 581 R N -0.631 119.830 120.500 -0.065 0.000 2.570 581 R HA 0.371 4.711 4.340 0.001 0.000 0.277 581 R C 1.220 177.591 176.300 0.118 0.000 1.039 581 R CA 1.486 57.649 56.100 0.105 0.000 1.065 581 R CB 0.493 30.831 30.300 0.063 0.000 0.964 581 R HN 1.068 nan 8.270 nan 0.000 0.428 582 G N 1.137 110.008 108.800 0.118 0.000 2.234 582 G HA2 -0.327 3.634 3.960 0.001 0.000 0.235 582 G HA3 -0.327 3.634 3.960 0.001 0.000 0.235 582 G C 0.151 175.072 174.900 0.034 0.000 0.997 582 G CA 0.146 45.296 45.100 0.083 0.000 0.623 582 G HN 0.729 nan 8.290 nan 0.000 0.514 583 S N 0.464 116.198 115.700 0.057 0.000 2.593 583 S HA 0.650 5.120 4.470 0.001 0.000 0.269 583 S C 0.903 175.500 174.600 -0.005 0.000 1.334 583 S CA 0.545 58.778 58.200 0.055 0.000 1.015 583 S CB 1.731 64.993 63.200 0.104 0.000 0.912 583 S HN 1.668 nan 8.310 nan 0.000 0.541 584 G N -0.607 108.155 108.800 -0.064 0.000 2.557 584 G HA2 0.487 4.448 3.960 0.001 0.000 0.302 584 G HA3 0.487 4.448 3.960 0.001 0.000 0.302 584 G C -0.875 173.879 174.900 -0.243 0.000 1.311 584 G CA -0.970 43.917 45.100 -0.355 0.000 1.030 584 G HN 0.979 nan 8.290 nan 0.000 0.509 585 Y N -2.472 117.848 120.300 0.033 0.000 4.668 585 Y HA -0.221 4.330 4.550 0.001 0.000 0.234 585 Y C 1.425 177.341 175.900 0.028 0.000 1.056 585 Y CA 1.131 59.250 58.100 0.032 0.000 2.025 585 Y CB -2.148 36.347 38.460 0.059 0.000 1.613 585 Y HN 0.535 nan 8.280 nan 0.000 0.653 586 Q N 0.021 119.844 119.800 0.040 0.000 2.112 586 Q HA 0.513 4.853 4.340 0.001 0.000 0.222 586 Q C 0.921 176.813 176.000 -0.181 0.000 0.798 586 Q CA 0.216 56.049 55.803 0.050 0.000 1.060 586 Q CB 1.625 30.394 28.738 0.053 0.000 1.184 586 Q HN 0.577 nan 8.270 nan 0.000 0.475 587 G N 0.772 109.333 108.800 -0.399 0.000 2.663 587 G HA2 -0.178 3.782 3.960 0.001 0.000 0.686 587 G HA3 -0.178 3.782 3.960 0.001 0.000 0.686 587 G C -0.484 174.055 174.900 -0.602 0.000 1.246 587 G CA -0.575 44.023 45.100 -0.837 0.000 0.795 587 G HN 0.116 nan 8.290 nan 0.000 0.627 588 D N 0.232 120.235 120.400 -0.661 0.000 2.219 588 D HA -0.062 4.578 4.640 0.001 0.000 0.205 588 D C 2.253 178.277 176.300 -0.459 0.000 0.970 588 D CA 1.425 54.990 54.000 -0.726 0.000 0.851 588 D CB 0.048 40.334 40.800 -0.857 0.000 0.943 588 D HN 0.548 nan 8.370 nan 0.000 0.488 589 K N 1.179 121.364 120.400 -0.358 0.000 2.074 589 K HA -0.113 4.207 4.320 0.001 0.000 0.209 589 K C 1.861 178.384 176.600 -0.128 0.000 1.048 589 K CA 1.128 57.296 56.287 -0.200 0.000 0.926 589 K CB -0.491 31.904 32.500 -0.175 0.000 0.713 589 K HN 0.161 nan 8.250 nan 0.000 0.444 590 I N -0.260 120.224 120.570 -0.143 0.000 2.339 590 I HA -0.114 4.057 4.170 0.001 0.000 0.245 590 I C 2.591 178.700 176.117 -0.015 0.000 1.096 590 I CA 1.036 62.324 61.300 -0.020 0.000 1.408 590 I CB -0.143 37.862 38.000 0.007 0.000 1.092 590 I HN 0.270 nan 8.210 nan 0.000 0.423 591 M N 0.076 119.598 119.600 -0.129 0.000 2.132 591 M HA -0.234 4.247 4.480 0.001 0.000 0.263 591 M C 1.912 178.250 176.300 0.062 0.000 1.065 591 M CA 1.999 57.251 55.300 -0.081 0.000 1.122 591 M CB -0.304 32.157 32.600 -0.232 0.000 1.365 591 M HN 0.265 nan 8.290 nan 0.000 0.411 592 H N -0.689 118.276 119.070 -0.175 0.000 2.547 592 H HA 0.158 4.715 4.556 0.001 0.000 0.266 592 H C 1.852 177.187 175.328 0.012 0.000 0.988 592 H CA 0.094 56.036 56.048 -0.178 0.000 1.147 592 H CB 0.140 29.702 29.762 -0.333 0.000 1.365 592 H HN 0.529 nan 8.280 nan 0.000 0.589 593 A N 1.511 124.428 122.820 0.161 0.000 1.978 593 A HA -0.166 4.154 4.320 0.001 0.000 0.220 593 A C 1.927 179.713 177.584 0.337 0.000 1.170 593 A CA 1.375 53.527 52.037 0.192 0.000 0.636 593 A CB -0.507 18.562 19.000 0.114 0.000 0.810 593 A HN 0.443 nan 8.150 nan 0.000 0.448 594 I N -1.985 118.757 120.570 0.287 0.000 3.810 594 I HA 0.142 4.312 4.170 0.001 0.000 0.322 594 I C 0.417 176.628 176.117 0.157 0.000 1.288 594 I CA -0.829 60.600 61.300 0.216 0.000 1.143 594 I CB -1.170 36.918 38.000 0.145 0.000 1.012 594 I HN 0.231 nan 8.210 nan 0.000 0.423 595 N N 3.078 121.912 118.700 0.224 0.000 2.359 595 N HA -0.072 4.669 4.740 0.001 0.000 0.261 595 N C 0.209 175.750 175.510 0.053 0.000 1.267 595 N CA 0.218 53.395 53.050 0.211 0.000 0.864 595 N CB 0.267 38.828 38.487 0.122 0.000 1.063 595 N HN 0.357 nan 8.380 nan 0.000 0.474 596 R N 0.761 121.271 120.500 0.018 0.000 4.000 596 R HA -0.194 4.147 4.340 0.001 0.000 0.362 596 R C -0.335 175.841 176.300 -0.206 0.000 1.183 596 R CA 0.803 56.869 56.100 -0.058 0.000 1.011 596 R CB -0.949 29.333 30.300 -0.030 0.000 1.501 596 R HN 0.573 nan 8.270 nan 0.000 0.553 597 R N 0.649 121.012 120.500 -0.227 0.000 2.648 597 R HA 0.350 4.691 4.340 0.001 0.000 0.341 597 R C -0.460 175.781 176.300 -0.098 0.000 1.154 597 R CA -0.190 55.622 56.100 -0.479 0.000 1.228 597 R CB 0.565 30.576 30.300 -0.481 0.000 1.311 597 R HN 0.070 nan 8.270 nan 0.000 0.659 598 L N -0.411 120.840 121.223 0.045 0.000 2.467 598 L HA 0.248 4.589 4.340 0.001 0.000 0.270 598 L C 1.314 178.417 176.870 0.388 0.000 1.205 598 L CA 0.840 55.747 54.840 0.111 0.000 0.828 598 L CB 0.533 42.437 42.059 -0.260 0.000 1.101 598 L HN 0.695 nan 8.230 nan 0.000 0.479 599 G N 0.673 109.735 108.800 0.436 0.000 2.147 599 G HA2 -0.289 3.671 3.960 0.001 0.000 0.244 599 G HA3 -0.289 3.671 3.960 0.001 0.000 0.244 599 G C 0.446 175.429 174.900 0.138 0.000 1.005 599 G CA 0.597 45.896 45.100 0.332 0.000 0.713 599 G HN 0.861 nan 8.290 nan 0.000 0.515 600 T N -3.666 110.930 114.554 0.070 0.000 3.257 600 T HA 0.467 4.817 4.350 0.001 0.000 0.176 600 T C 1.654 176.333 174.700 -0.034 0.000 0.892 600 T CA 0.914 62.957 62.100 -0.095 0.000 1.147 600 T CB -0.044 68.578 68.868 -0.410 0.000 1.840 600 T HN 0.141 nan 8.240 nan 0.000 0.375 601 F N 3.509 123.495 119.950 0.060 0.000 2.161 601 F HA 0.049 4.577 4.527 0.001 0.000 0.300 601 F C 2.826 178.654 175.800 0.046 0.000 1.089 601 F CA 1.279 59.303 58.000 0.040 0.000 1.282 601 F CB -0.709 38.310 39.000 0.032 0.000 1.010 601 F HN 0.530 nan 8.300 nan 0.000 0.485 602 E N 0.665 121.014 120.200 0.249 0.000 2.150 602 E HA -0.132 4.219 4.350 0.001 0.000 0.193 602 E C 2.142 178.842 176.600 0.166 0.000 0.985 602 E CA 1.557 58.075 56.400 0.195 0.000 0.814 602 E CB -1.052 28.769 29.700 0.202 0.000 0.752 602 E HN 0.303 nan 8.360 nan 0.000 0.466 603 V N 1.664 121.653 119.914 0.125 0.000 2.323 603 V HA -0.196 3.925 4.120 0.001 0.000 0.244 603 V C 2.307 178.440 176.094 0.064 0.000 1.041 603 V CA 2.070 64.402 62.300 0.054 0.000 1.025 603 V CB -0.551 31.256 31.823 -0.027 0.000 0.656 603 V HN 0.208 nan 8.190 nan 0.000 0.451 604 E N 0.154 120.407 120.200 0.088 0.000 2.085 604 E HA -0.243 4.107 4.350 0.001 0.000 0.194 604 E C 1.910 178.550 176.600 0.066 0.000 0.994 604 E CA 1.541 57.992 56.400 0.084 0.000 0.801 604 E CB -0.200 29.580 29.700 0.134 0.000 0.743 604 E HN 0.563 nan 8.360 nan 0.000 0.453 605 D N 0.319 120.777 120.400 0.097 0.000 2.178 605 D HA -0.134 4.507 4.640 0.001 0.000 0.201 605 D C 1.960 178.310 176.300 0.082 0.000 0.980 605 D CA 0.795 54.847 54.000 0.088 0.000 0.842 605 D CB -0.083 40.803 40.800 0.143 0.000 0.948 605 D HN 0.115 nan 8.370 nan 0.000 0.472 606 Q N -0.004 119.884 119.800 0.147 0.000 2.123 606 Q HA -0.003 4.338 4.340 0.001 0.000 0.199 606 Q C 2.537 178.582 176.000 0.075 0.000 0.966 606 Q CA 0.453 56.344 55.803 0.146 0.000 0.845 606 Q CB -0.003 28.835 28.738 0.167 0.000 0.907 606 Q HN 0.423 nan 8.270 nan 0.000 0.439 607 I N 0.783 121.404 120.570 0.085 0.000 2.202 607 I HA -0.220 3.951 4.170 0.001 0.000 0.242 607 I C 2.371 178.455 176.117 -0.054 0.000 1.091 607 I CA 0.877 62.258 61.300 0.135 0.000 1.368 607 I CB -0.185 37.883 38.000 0.113 0.000 1.058 607 I HN 0.079 nan 8.210 nan 0.000 0.410 608 E N 1.128 121.249 120.200 -0.132 0.000 2.085 608 E HA -0.222 4.128 4.350 0.001 0.000 0.194 608 E C 2.283 178.601 176.600 -0.469 0.000 0.994 608 E CA 1.627 57.882 56.400 -0.241 0.000 0.801 608 E CB -0.236 29.338 29.700 -0.210 0.000 0.743 608 E HN 0.480 nan 8.360 nan 0.000 0.453 609 A N 1.002 123.389 122.820 -0.722 0.000 1.877 609 A HA -0.102 4.219 4.320 0.001 0.000 0.216 609 A C 2.421 179.272 177.584 -1.221 0.000 1.186 609 A CA 2.298 53.563 52.037 -1.286 0.000 0.620 609 A CB -0.703 17.293 19.000 -1.674 0.000 0.822 609 A HN 0.291 nan 8.150 nan 0.000 0.443 610 A N -0.444 122.060 122.820 -0.526 0.000 1.933 610 A HA -0.168 4.152 4.320 0.001 0.000 0.218 610 A C 2.245 179.643 177.584 -0.310 0.000 1.175 610 A CA 1.754 53.656 52.037 -0.225 0.000 0.628 610 A CB -0.503 18.478 19.000 -0.032 0.000 0.814 610 A HN 0.563 nan 8.150 nan 0.000 0.444 611 R N -0.556 119.749 120.500 -0.324 0.000 2.073 611 R HA -0.172 4.169 4.340 0.001 0.000 0.234 611 R C 2.385 178.521 176.300 -0.272 0.000 1.134 611 R CA 1.745 57.688 56.100 -0.262 0.000 0.952 611 R CB -0.272 29.902 30.300 -0.209 0.000 0.850 611 R HN 0.636 nan 8.270 nan 0.000 0.433 612 Q N -0.257 119.308 119.800 -0.392 0.000 1.993 612 Q HA -0.186 4.154 4.340 0.001 0.000 0.202 612 Q C 2.127 177.982 176.000 -0.241 0.000 0.984 612 Q CA 1.528 57.120 55.803 -0.351 0.000 0.837 612 Q CB -0.409 28.034 28.738 -0.492 0.000 0.902 612 Q HN 0.326 nan 8.270 nan 0.000 0.423 613 F N 1.785 121.575 119.950 -0.268 0.000 2.120 613 F HA -0.205 4.323 4.527 0.001 0.000 0.300 613 F C 2.804 178.451 175.800 -0.255 0.000 1.095 613 F CA 1.404 59.243 58.000 -0.268 0.000 1.249 613 F CB -1.526 37.347 39.000 -0.211 0.000 0.995 613 F HN 0.129 nan 8.300 nan 0.000 0.480 614 S N -0.312 115.357 115.700 -0.051 0.000 2.442 614 S HA -0.168 4.303 4.470 0.001 0.000 0.236 614 S C 1.677 176.199 174.600 -0.131 0.000 1.007 614 S CA 0.945 59.080 58.200 -0.108 0.000 0.965 614 S CB -0.565 62.546 63.200 -0.148 0.000 0.773 614 S HN 0.461 nan 8.310 nan 0.000 0.504 615 K N -0.003 120.314 120.400 -0.138 0.000 2.426 615 K HA 0.282 4.603 4.320 0.001 0.000 0.193 615 K C 0.285 176.789 176.600 -0.161 0.000 1.028 615 K CA 0.027 56.234 56.287 -0.132 0.000 1.047 615 K CB -0.060 32.371 32.500 -0.116 0.000 0.821 615 K HN 0.466 nan 8.250 nan 0.000 0.513 616 M N -0.102 119.354 119.600 -0.240 0.000 2.243 616 M HA 0.033 4.514 4.480 0.001 0.000 0.341 616 M C 1.566 177.628 176.300 -0.397 0.000 1.130 616 M CA -0.007 55.056 55.300 -0.394 0.000 1.162 616 M CB 1.034 33.180 32.600 -0.757 0.000 1.497 616 M HN 0.143 nan 8.290 nan 0.000 0.456 617 G N 1.918 110.551 108.800 -0.279 0.000 2.462 617 G HA2 -0.194 3.766 3.960 0.001 0.000 0.220 617 G HA3 -0.194 3.766 3.960 0.001 0.000 0.220 617 G C 0.808 175.687 174.900 -0.035 0.000 1.121 617 G CA 0.737 45.775 45.100 -0.104 0.000 0.758 617 G HN 0.804 nan 8.290 nan 0.000 0.559 618 F N -0.267 119.740 119.950 0.094 0.000 2.732 618 F HA 0.597 5.125 4.527 0.001 0.000 0.303 618 F C 0.002 175.921 175.800 0.198 0.000 1.110 618 F CA -1.245 56.850 58.000 0.158 0.000 1.355 618 F CB -0.203 38.959 39.000 0.270 0.000 1.081 618 F HN -0.184 nan 8.300 nan 0.000 0.565 619 V N 1.676 121.561 119.914 -0.049 0.000 2.435 619 V HA 0.177 4.298 4.120 0.001 0.000 0.290 619 V C -0.633 175.437 176.094 -0.040 0.000 1.030 619 V CA -0.840 61.460 62.300 -0.000 0.000 0.881 619 V CB 1.473 33.232 31.823 -0.106 0.000 0.983 619 V HN 0.059 nan 8.190 nan 0.000 0.445 620 D N 3.643 124.019 120.400 -0.039 0.000 2.374 620 D HA 0.049 4.690 4.640 0.001 0.000 0.240 620 D C 1.360 177.607 176.300 -0.088 0.000 1.229 620 D CA -0.081 53.871 54.000 -0.081 0.000 0.895 620 D CB 0.395 41.126 40.800 -0.116 0.000 1.046 620 D HN 0.750 nan 8.370 nan 0.000 0.498 621 N N 2.558 121.208 118.700 -0.083 0.000 2.635 621 N HA -0.131 4.610 4.740 0.001 0.000 0.191 621 N C 0.713 176.179 175.510 -0.073 0.000 1.155 621 N CA 0.284 53.281 53.050 -0.089 0.000 0.927 621 N CB 0.198 38.628 38.487 -0.094 0.000 0.976 621 N HN 0.234 nan 8.380 nan 0.000 0.448 622 K N 0.015 120.379 120.400 -0.060 0.000 2.393 622 K HA 0.147 4.467 4.320 0.001 0.000 0.193 622 K C 0.136 176.736 176.600 0.000 0.000 1.026 622 K CA 0.157 56.426 56.287 -0.030 0.000 1.064 622 K CB 0.467 32.951 32.500 -0.027 0.000 0.833 622 K HN 0.137 nan 8.250 nan 0.000 0.521 623 R N 1.207 121.681 120.500 -0.044 0.000 2.681 623 R HA 0.364 4.704 4.340 0.001 0.000 0.277 623 R C -1.058 175.229 176.300 -0.023 0.000 1.563 623 R CA -0.086 55.987 56.100 -0.046 0.000 1.673 623 R CB 0.635 30.716 30.300 -0.365 0.000 1.258 623 R HN -0.026 nan 8.270 nan 0.000 0.650 624 I N 1.028 121.699 120.570 0.169 0.000 2.406 624 I HA 0.619 4.790 4.170 0.001 0.000 0.290 624 I C -0.110 176.289 176.117 0.469 0.000 0.999 624 I CA -0.759 60.673 61.300 0.220 0.000 1.124 624 I CB 1.961 39.934 38.000 -0.046 0.000 1.289 624 I HN 0.350 nan 8.210 nan 0.000 0.441 625 A N 6.965 130.171 122.820 0.643 0.000 2.437 625 A HA 0.929 5.250 4.320 0.001 0.000 0.292 625 A C -1.210 176.740 177.584 0.609 0.000 1.173 625 A CA -0.650 51.745 52.037 0.598 0.000 0.785 625 A CB 2.095 21.304 19.000 0.349 0.000 1.351 625 A HN 0.720 nan 8.150 nan 0.000 0.431 626 I N 0.279 121.102 120.570 0.422 0.000 2.752 626 I HA 0.705 4.876 4.170 0.001 0.000 0.295 626 I C -1.948 174.408 176.117 0.397 0.000 1.219 626 I CA -0.575 60.898 61.300 0.288 0.000 1.030 626 I CB 1.675 39.544 38.000 -0.219 0.000 1.259 626 I HN 0.940 nan 8.210 nan 0.000 0.423 627 W N 6.944 128.365 121.300 0.203 0.000 3.118 627 W HA 0.860 5.521 4.660 0.001 0.000 0.328 627 W C -1.477 175.189 176.519 0.245 0.000 1.239 627 W CA -1.032 56.449 57.345 0.226 0.000 1.176 627 W CB 1.110 30.761 29.460 0.319 0.000 1.433 627 W HN 0.831 nan 8.180 nan 0.000 0.562 628 G N 0.851 109.614 108.800 -0.061 0.000 2.601 628 G HA2 0.497 4.458 3.960 0.001 0.000 0.291 628 G HA3 0.497 4.458 3.960 0.001 0.000 0.291 628 G C -2.792 172.081 174.900 -0.045 0.000 1.456 628 G CA -0.699 44.221 45.100 -0.300 0.000 0.804 628 G HN 0.601 nan 8.290 nan 0.000 0.499 629 W N 1.011 122.208 121.300 -0.172 0.000 2.736 629 W HA 0.567 5.228 4.660 0.001 0.000 0.335 629 W C 0.808 177.394 176.519 0.112 0.000 1.059 629 W CA 0.401 57.732 57.345 -0.023 0.000 1.226 629 W CB 1.703 31.145 29.460 -0.030 0.000 1.416 629 W HN 1.119 nan 8.180 nan 0.000 0.505 630 S N 1.860 117.857 115.700 0.495 0.000 4.114 630 S HA -0.436 4.034 4.470 0.001 0.000 0.618 630 S C 0.822 175.549 174.600 0.213 0.000 1.937 630 S CA 1.590 60.075 58.200 0.475 0.000 4.228 630 S CB -1.551 62.085 63.200 0.727 0.000 0.216 630 S HN 0.750 nan 8.310 nan 0.000 0.528 631 Y N 3.143 123.465 120.300 0.036 0.000 2.193 631 Y HA -0.057 4.493 4.550 0.001 0.000 0.285 631 Y C 2.463 178.302 175.900 -0.102 0.000 1.166 631 Y CA 2.249 60.264 58.100 -0.143 0.000 1.181 631 Y CB -1.011 37.154 38.460 -0.492 0.000 0.976 631 Y HN 0.574 nan 8.280 nan 0.000 0.520 632 G N -1.175 107.665 108.800 0.068 0.000 2.443 632 G HA2 -0.192 3.768 3.960 0.001 0.000 0.219 632 G HA3 -0.192 3.768 3.960 0.001 0.000 0.219 632 G C 1.878 176.818 174.900 0.067 0.000 1.131 632 G CA 0.695 45.853 45.100 0.096 0.000 0.775 632 G HN 0.578 nan 8.290 nan 0.000 0.547 633 G N -0.223 108.626 108.800 0.082 0.000 2.403 633 G HA2 -0.179 3.781 3.960 0.001 0.000 0.216 633 G HA3 -0.179 3.781 3.960 0.001 0.000 0.216 633 G C 1.565 176.494 174.900 0.048 0.000 1.154 633 G CA 0.981 46.110 45.100 0.050 0.000 0.784 633 G HN 0.416 nan 8.290 nan 0.000 0.538 634 Y N 1.448 121.653 120.300 -0.159 0.000 2.163 634 Y HA -0.106 4.445 4.550 0.001 0.000 0.288 634 Y C 2.723 178.530 175.900 -0.155 0.000 1.136 634 Y CA 1.575 59.531 58.100 -0.240 0.000 1.147 634 Y CB -0.429 37.740 38.460 -0.484 0.000 0.987 634 Y HN 0.021 nan 8.280 nan 0.000 0.509 635 V N -0.219 119.588 119.914 -0.179 0.000 2.343 635 V HA -0.323 3.798 4.120 0.001 0.000 0.247 635 V C 2.314 178.301 176.094 -0.179 0.000 1.051 635 V CA 2.422 64.598 62.300 -0.206 0.000 1.036 635 V CB -1.220 30.619 31.823 0.028 0.000 0.654 635 V HN 0.490 nan 8.190 nan 0.000 0.451 636 T N -0.103 114.399 114.554 -0.087 0.000 2.720 636 T HA -0.191 4.159 4.350 0.001 0.000 0.268 636 T C 2.142 176.787 174.700 -0.091 0.000 1.037 636 T CA 1.986 64.042 62.100 -0.072 0.000 1.144 636 T CB -0.262 68.640 68.868 0.057 0.000 0.864 636 T HN 0.527 nan 8.240 nan 0.000 0.444 637 S N 1.058 116.742 115.700 -0.026 0.000 2.368 637 S HA 0.002 4.472 4.470 0.001 0.000 0.224 637 S C 2.130 176.660 174.600 -0.117 0.000 1.029 637 S CA 0.893 59.110 58.200 0.029 0.000 0.988 637 S CB -0.261 63.007 63.200 0.114 0.000 0.838 637 S HN 0.319 nan 8.310 nan 0.000 0.462 638 M N 0.946 120.383 119.600 -0.273 0.000 2.159 638 M HA -0.018 4.463 4.480 0.001 0.000 0.263 638 M C 2.191 178.341 176.300 -0.250 0.000 1.063 638 M CA 1.030 56.148 55.300 -0.304 0.000 1.110 638 M CB -1.337 30.960 32.600 -0.505 0.000 1.374 638 M HN 0.178 nan 8.290 nan 0.000 0.411 639 V N 0.614 120.370 119.914 -0.264 0.000 2.307 639 V HA -0.233 3.888 4.120 0.001 0.000 0.245 639 V C 2.492 178.397 176.094 -0.314 0.000 1.045 639 V CA 1.349 63.493 62.300 -0.261 0.000 1.024 639 V CB -0.609 30.995 31.823 -0.364 0.000 0.651 639 V HN 0.405 nan 8.190 nan 0.000 0.449 640 L N 0.375 121.334 121.223 -0.441 0.000 2.191 640 L HA -0.048 4.293 4.340 0.001 0.000 0.212 640 L C 2.185 178.502 176.870 -0.921 0.000 1.103 640 L CA 1.477 55.930 54.840 -0.646 0.000 0.769 640 L CB -0.709 40.859 42.059 -0.818 0.000 0.908 640 L HN 0.495 nan 8.230 nan 0.000 0.438 641 G N -1.374 106.960 108.800 -0.777 0.000 3.284 641 G HA2 -0.039 3.922 3.960 0.001 0.000 0.236 641 G HA3 -0.039 3.922 3.960 0.001 0.000 0.236 641 G C 1.462 176.247 174.900 -0.191 0.000 1.158 641 G CA 0.560 45.380 45.100 -0.467 0.000 0.774 641 G HN 0.413 nan 8.290 nan 0.000 0.545 642 S N -0.604 114.985 115.700 -0.185 0.000 2.496 642 S HA 0.293 4.763 4.470 0.001 0.000 0.224 642 S C 1.969 176.533 174.600 -0.060 0.000 0.996 642 S CA 1.050 59.195 58.200 -0.092 0.000 0.927 642 S CB -0.132 63.027 63.200 -0.068 0.000 0.774 642 S HN 1.354 nan 8.310 nan 0.000 0.524 643 G N 1.416 110.170 108.800 -0.078 0.000 2.153 643 G HA2 -0.348 3.613 3.960 0.001 0.000 0.252 643 G HA3 -0.348 3.613 3.960 0.001 0.000 0.252 643 G C 0.973 175.863 174.900 -0.016 0.000 0.994 643 G CA 0.960 46.034 45.100 -0.042 0.000 0.698 643 G HN 1.326 nan 8.290 nan 0.000 0.521 644 S N -0.564 115.137 115.700 0.001 0.000 2.447 644 S HA 0.281 4.752 4.470 0.001 0.000 0.233 644 S C 2.561 177.163 174.600 0.003 0.000 1.006 644 S CA 1.642 59.852 58.200 0.017 0.000 0.957 644 S CB -0.314 62.924 63.200 0.064 0.000 0.773 644 S HN 2.413 nan 8.310 nan 0.000 0.507 645 G N -0.010 108.798 108.800 0.013 0.000 2.189 645 G HA2 -0.291 3.670 3.960 0.001 0.000 0.267 645 G HA3 -0.291 3.670 3.960 0.001 0.000 0.267 645 G C 0.736 175.613 174.900 -0.038 0.000 0.975 645 G CA 0.464 45.562 45.100 -0.004 0.000 0.644 645 G HN 0.744 nan 8.290 nan 0.000 0.537 646 V N -0.682 119.184 119.914 -0.079 0.000 2.649 646 V HA 0.292 4.413 4.120 0.001 0.000 0.248 646 V C 1.166 176.985 176.094 -0.458 0.000 1.054 646 V CA 1.265 63.378 62.300 -0.312 0.000 1.073 646 V CB -0.329 31.189 31.823 -0.509 0.000 0.699 646 V HN 0.299 nan 8.190 nan 0.000 0.463 647 F N 0.036 120.000 119.950 0.022 0.000 2.421 647 F HA 0.403 4.931 4.527 0.001 0.000 0.337 647 F C 1.144 176.985 175.800 0.069 0.000 1.105 647 F CA -0.522 57.518 58.000 0.066 0.000 1.049 647 F CB 1.444 40.482 39.000 0.064 0.000 1.139 647 F HN -0.258 nan 8.300 nan 0.000 0.479 648 K N 1.519 122.073 120.400 0.256 0.000 2.186 648 K HA 0.111 4.431 4.320 0.001 0.000 0.202 648 K C -0.123 176.600 176.600 0.205 0.000 1.052 648 K CA 0.855 57.258 56.287 0.193 0.000 0.965 648 K CB 0.258 32.875 32.500 0.194 0.000 0.746 648 K HN 0.809 nan 8.250 nan 0.000 0.457 649 c N -3.141 115.619 118.600 0.267 0.000 3.320 649 c HA 0.888 5.459 4.570 0.001 0.000 0.335 649 c C -0.288 174.022 174.090 0.367 0.000 1.430 649 c CA -0.591 55.919 56.329 0.301 0.000 1.271 649 c CB 1.092 43.713 42.510 0.186 0.000 1.609 649 c HN 0.326 nan 8.230 nan 0.000 0.457 650 G N -0.133 108.952 108.800 0.475 0.000 2.632 650 G HA2 0.710 4.670 3.960 0.001 0.000 0.292 650 G HA3 0.710 4.670 3.960 0.001 0.000 0.292 650 G C -2.063 173.070 174.900 0.388 0.000 1.465 650 G CA -0.673 44.675 45.100 0.413 0.000 0.824 650 G HN 1.020 nan 8.290 nan 0.000 0.509 651 I N 0.672 121.435 120.570 0.321 0.000 2.499 651 I HA 0.618 4.789 4.170 0.001 0.000 0.288 651 I C 0.101 176.332 176.117 0.190 0.000 1.048 651 I CA -0.969 60.407 61.300 0.128 0.000 1.062 651 I CB 2.288 40.365 38.000 0.128 0.000 1.238 651 I HN 0.672 nan 8.210 nan 0.000 0.426 652 A N 6.492 129.309 122.820 -0.004 0.000 2.304 652 A HA 0.783 5.104 4.320 0.001 0.000 0.314 652 A C -0.797 176.692 177.584 -0.158 0.000 1.187 652 A CA -0.510 51.533 52.037 0.010 0.000 0.810 652 A CB 1.130 20.190 19.000 0.101 0.000 1.183 652 A HN 0.433 nan 8.150 nan 0.000 0.487 653 V N 2.112 121.887 119.914 -0.231 0.000 2.417 653 V HA 0.574 4.695 4.120 0.001 0.000 0.291 653 V C 0.953 176.656 176.094 -0.652 0.000 1.024 653 V CA 0.303 62.247 62.300 -0.594 0.000 0.861 653 V CB 0.858 31.999 31.823 -1.136 0.000 0.985 653 V HN 2.089 nan 8.190 nan 0.000 0.436 654 A N 5.602 128.017 122.820 -0.675 0.000 2.415 654 A HA -0.106 4.215 4.320 0.001 0.000 0.292 654 A C -1.766 175.657 177.584 -0.268 0.000 1.452 654 A CA 0.488 52.037 52.037 -0.813 0.000 0.750 654 A CB -1.526 17.132 19.000 -0.570 0.000 1.099 654 A HN 0.619 nan 8.150 nan 0.000 0.391 655 P HA 0.461 nan 4.420 nan 0.000 0.279 655 P C 0.147 177.412 177.300 -0.058 0.000 1.252 655 P CA -0.324 62.751 63.100 -0.043 0.000 0.811 655 P CB 1.449 33.147 31.700 -0.003 0.000 1.035 656 V N 2.038 121.825 119.914 -0.213 0.000 2.775 656 V HA 0.091 4.212 4.120 0.001 0.000 0.299 656 V C 1.713 177.617 176.094 -0.316 0.000 1.062 656 V CA 0.925 62.959 62.300 -0.444 0.000 1.063 656 V CB 0.876 32.044 31.823 -1.093 0.000 0.994 656 V HN 0.849 nan 8.190 nan 0.000 0.483 657 S N 3.487 119.027 115.700 -0.267 0.000 2.575 657 S HA 0.255 4.725 4.470 0.001 0.000 0.230 657 S C 0.407 174.838 174.600 -0.281 0.000 1.062 657 S CA -0.391 57.724 58.200 -0.142 0.000 0.913 657 S CB 0.341 63.519 63.200 -0.037 0.000 0.837 657 S HN 0.846 nan 8.310 nan 0.000 0.487 658 R N -1.149 119.048 120.500 -0.505 0.000 2.536 658 R HA 0.468 4.809 4.340 0.001 0.000 0.269 658 R C -0.909 175.023 176.300 -0.613 0.000 1.113 658 R CA -0.881 54.866 56.100 -0.587 0.000 0.948 658 R CB -0.233 29.705 30.300 -0.604 0.000 1.237 658 R HN 0.123 nan 8.270 nan 0.000 0.441 659 W N 1.480 122.675 121.300 -0.175 0.000 2.364 659 W HA -0.062 4.599 4.660 0.001 0.000 0.281 659 W C 1.172 177.807 176.519 0.193 0.000 1.219 659 W CA 0.984 58.312 57.345 -0.030 0.000 1.220 659 W CB 0.173 29.519 29.460 -0.190 0.000 1.127 659 W HN 0.730 nan 8.180 nan 0.000 0.556 660 E N -1.035 119.330 120.200 0.275 0.000 2.409 660 E HA -0.188 4.163 4.350 0.001 0.000 0.198 660 E C 1.197 177.951 176.600 0.257 0.000 1.024 660 E CA 0.751 57.282 56.400 0.219 0.000 0.861 660 E CB -0.191 29.532 29.700 0.040 0.000 0.788 660 E HN 0.379 nan 8.360 nan 0.000 0.521 661 Y N -1.652 118.746 120.300 0.164 0.000 2.500 661 Y HA 0.076 4.627 4.550 0.001 0.000 0.270 661 Y C 0.637 176.657 175.900 0.200 0.000 1.134 661 Y CA -0.343 57.832 58.100 0.124 0.000 1.293 661 Y CB -0.353 38.124 38.460 0.028 0.000 1.063 661 Y HN 0.009 nan 8.280 nan 0.000 0.534 662 Y N 1.923 122.394 120.300 0.284 0.000 2.408 662 Y HA 0.290 4.841 4.550 0.001 0.000 0.324 662 Y C 0.330 176.456 175.900 0.377 0.000 1.302 662 Y CA -2.055 56.224 58.100 0.297 0.000 1.384 662 Y CB 0.365 39.021 38.460 0.328 0.000 1.367 662 Y HN 0.190 nan 8.280 nan 0.000 0.525 663 D N -0.570 119.506 120.400 -0.539 0.000 2.382 663 D HA 0.097 4.738 4.640 0.001 0.000 0.240 663 D C 0.935 177.208 176.300 -0.044 0.000 1.146 663 D CA 0.362 54.137 54.000 -0.375 0.000 0.897 663 D CB 0.950 41.330 40.800 -0.701 0.000 1.197 663 D HN 0.485 nan 8.370 nan 0.000 0.432 664 S N 1.297 116.980 115.700 -0.030 0.000 2.348 664 S HA -0.228 4.242 4.470 0.001 0.000 0.221 664 S C 1.930 176.553 174.600 0.039 0.000 1.033 664 S CA 1.218 59.455 58.200 0.061 0.000 1.010 664 S CB -1.042 62.199 63.200 0.068 0.000 0.891 664 S HN 0.435 nan 8.310 nan 0.000 0.442 665 V N 0.927 120.804 119.914 -0.061 0.000 2.255 665 V HA -0.194 3.926 4.120 0.001 0.000 0.247 665 V C 2.327 178.336 176.094 -0.141 0.000 1.051 665 V CA 2.329 64.502 62.300 -0.211 0.000 1.018 665 V CB -1.131 30.416 31.823 -0.461 0.000 0.641 665 V HN 0.608 nan 8.190 nan 0.000 0.445 666 Y N 1.232 121.472 120.300 -0.100 0.000 2.133 666 Y HA -0.222 4.329 4.550 0.001 0.000 0.287 666 Y C 2.734 178.631 175.900 -0.006 0.000 1.134 666 Y CA 2.312 60.425 58.100 0.021 0.000 1.133 666 Y CB -0.578 38.090 38.460 0.348 0.000 0.987 666 Y HN 0.219 nan 8.280 nan 0.000 0.502 667 T N 0.393 115.157 114.554 0.350 0.000 2.652 667 T HA -0.214 4.137 4.350 0.001 0.000 0.267 667 T C 1.560 176.233 174.700 -0.045 0.000 1.039 667 T CA 1.984 64.214 62.100 0.216 0.000 1.153 667 T CB -0.349 68.800 68.868 0.469 0.000 0.863 667 T HN 0.435 nan 8.240 nan 0.000 0.428 668 E N 0.532 120.739 120.200 0.013 0.000 2.265 668 E HA -0.113 4.237 4.350 0.001 0.000 0.196 668 E C 2.328 178.813 176.600 -0.192 0.000 0.996 668 E CA 0.451 56.851 56.400 -0.001 0.000 0.832 668 E CB -0.127 29.614 29.700 0.069 0.000 0.756 668 E HN 0.353 nan 8.360 nan 0.000 0.491 669 R N 0.222 120.448 120.500 -0.458 0.000 2.105 669 R HA -0.191 4.150 4.340 0.001 0.000 0.239 669 R C 1.209 176.972 176.300 -0.894 0.000 1.135 669 R CA 1.580 57.215 56.100 -0.773 0.000 0.967 669 R CB -0.011 29.489 30.300 -1.334 0.000 0.861 669 R HN 0.243 nan 8.270 nan 0.000 0.442 670 Y N -1.808 118.170 120.300 -0.537 0.000 2.507 670 Y HA 0.225 4.775 4.550 0.001 0.000 0.263 670 Y C 1.731 177.447 175.900 -0.306 0.000 1.093 670 Y CA 0.067 57.849 58.100 -0.530 0.000 1.285 670 Y CB 0.437 38.442 38.460 -0.759 0.000 1.115 670 Y HN -0.043 nan 8.280 nan 0.000 0.533 671 M N -0.396 119.100 119.600 -0.173 0.000 2.313 671 M HA 0.367 4.848 4.480 0.001 0.000 0.273 671 M C 1.028 177.365 176.300 0.062 0.000 1.049 671 M CA 0.723 55.938 55.300 -0.142 0.000 1.004 671 M CB -0.255 32.075 32.600 -0.450 0.000 1.461 671 M HN 0.328 nan 8.290 nan 0.000 0.514 672 G N 1.994 110.832 108.800 0.064 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 -0.478 174.556 174.900 0.223 0.000 1.322 672 G CA -0.731 44.439 45.100 0.117 0.000 0.898 672 G HN 0.359 nan 8.290 nan 0.000 0.573 673 L N 1.779 123.095 121.223 0.156 0.000 2.357 673 L HA 0.434 4.774 4.340 0.001 0.000 0.273 673 L C -1.403 175.445 176.870 -0.036 0.000 1.080 673 L CA -1.753 53.131 54.840 0.073 0.000 0.803 673 L CB 1.854 43.924 42.059 0.019 0.000 1.174 673 L HN 0.457 nan 8.230 nan 0.000 0.443 674 P HA 0.068 nan 4.420 nan 0.000 0.220 674 P C -0.512 176.628 177.300 -0.267 0.000 1.778 674 P CA -0.117 62.563 63.100 -0.700 0.000 0.912 674 P CB -0.393 30.582 31.700 -1.207 0.000 1.861 675 T N -3.033 111.452 114.554 -0.115 0.000 2.885 675 T HA 0.426 4.776 4.350 0.001 0.000 0.285 675 T C -1.840 172.851 174.700 -0.015 0.000 1.019 675 T CA -2.488 59.578 62.100 -0.055 0.000 1.010 675 T CB 2.009 70.857 68.868 -0.033 0.000 1.022 675 T HN -0.204 nan 8.240 nan 0.000 0.466 676 P HA -0.163 nan 4.420 nan 0.000 0.217 676 P C 0.634 177.945 177.300 0.018 0.000 1.148 676 P CA 1.383 64.490 63.100 0.011 0.000 0.828 676 P CB 0.124 31.828 31.700 0.007 0.000 0.783 677 E N -1.041 119.166 120.200 0.012 0.000 2.482 677 E HA -0.045 4.306 4.350 0.001 0.000 0.196 677 E C 1.453 178.066 176.600 0.023 0.000 1.047 677 E CA 0.572 56.981 56.400 0.014 0.000 0.869 677 E CB -0.377 29.326 29.700 0.007 0.000 0.836 677 E HN 0.331 nan 8.360 nan 0.000 0.520 678 D N -0.215 120.204 120.400 0.032 0.000 3.012 678 D HA 0.069 4.710 4.640 0.001 0.000 0.230 678 D C 0.292 176.644 176.300 0.086 0.000 1.477 678 D CA 0.164 54.194 54.000 0.051 0.000 1.329 678 D CB 0.006 40.837 40.800 0.051 0.000 0.951 678 D HN -0.008 nan 8.370 nan 0.000 0.224 679 N N -0.115 118.666 118.700 0.136 0.000 2.240 679 N HA 0.091 4.832 4.740 0.001 0.000 0.240 679 N C 1.062 176.762 175.510 0.316 0.000 1.277 679 N CA -0.092 53.092 53.050 0.223 0.000 0.873 679 N CB 0.238 38.890 38.487 0.275 0.000 1.222 679 N HN 0.084 nan 8.380 nan 0.000 0.507 680 L N 0.602 121.925 121.223 0.166 0.000 2.051 680 L HA -0.154 4.187 4.340 0.001 0.000 0.214 680 L C 1.135 178.111 176.870 0.177 0.000 1.076 680 L CA 1.996 56.907 54.840 0.119 0.000 0.758 680 L CB -0.514 41.552 42.059 0.012 0.000 0.890 680 L HN 0.126 nan 8.230 nan 0.000 0.433 681 D N -1.603 118.885 120.400 0.146 0.000 2.104 681 D HA -0.246 4.394 4.640 0.001 0.000 0.194 681 D C 2.123 178.516 176.300 0.155 0.000 0.994 681 D CA 1.706 55.782 54.000 0.126 0.000 0.830 681 D CB -0.164 40.700 40.800 0.106 0.000 0.959 681 D HN 0.581 nan 8.370 nan 0.000 0.452 682 H N -1.187 117.955 119.070 0.120 0.000 2.462 682 H HA -0.041 4.515 4.556 0.001 0.000 0.292 682 H C 1.600 177.000 175.328 0.119 0.000 1.049 682 H CA 1.215 57.312 56.048 0.082 0.000 1.334 682 H CB -0.271 29.505 29.762 0.023 0.000 1.404 682 H HN 0.211 nan 8.280 nan 0.000 0.544 683 Y N 0.112 120.402 120.300 -0.017 0.000 2.224 683 Y HA -0.163 4.387 4.550 0.001 0.000 0.289 683 Y C 2.297 178.160 175.900 -0.061 0.000 1.146 683 Y CA 1.292 59.388 58.100 -0.006 0.000 1.182 683 Y CB 0.184 38.672 38.460 0.047 0.000 0.983 683 Y HN 0.121 nan 8.280 nan 0.000 0.524 684 R N -0.264 120.304 120.500 0.113 0.000 2.193 684 R HA -0.015 4.326 4.340 0.001 0.000 0.213 684 R C 1.125 177.414 176.300 -0.018 0.000 1.055 684 R CA 0.610 56.731 56.100 0.035 0.000 0.995 684 R CB -0.500 29.824 30.300 0.040 0.000 0.893 684 R HN 0.417 nan 8.270 nan 0.000 0.459 685 N N 0.507 119.172 118.700 -0.060 0.000 2.412 685 N HA -0.034 4.707 4.740 0.001 0.000 0.184 685 N C 0.532 175.971 175.510 -0.118 0.000 1.101 685 N CA 0.550 53.559 53.050 -0.068 0.000 0.881 685 N CB 0.401 38.880 38.487 -0.014 0.000 0.969 685 N HN 0.134 nan 8.380 nan 0.000 0.459 686 S N -0.538 115.047 115.700 -0.193 0.000 2.561 686 S HA 0.078 4.548 4.470 0.001 0.000 0.245 686 S C 0.664 175.298 174.600 0.055 0.000 1.001 686 S CA -0.717 57.434 58.200 -0.082 0.000 1.002 686 S CB -0.309 62.798 63.200 -0.155 0.000 0.805 686 S HN 0.167 nan 8.310 nan 0.000 0.458 687 T N -1.682 112.863 114.554 -0.016 0.000 2.918 687 T HA 0.527 4.878 4.350 0.001 0.000 0.283 687 T C 1.295 175.979 174.700 -0.027 0.000 1.001 687 T CA -0.624 61.455 62.100 -0.035 0.000 1.041 687 T CB 1.312 70.127 68.868 -0.088 0.000 1.028 687 T HN -0.050 nan 8.240 nan 0.000 0.511 688 V N 1.670 121.563 119.914 -0.035 0.000 2.379 688 V HA -0.112 4.009 4.120 0.001 0.000 0.245 688 V C 2.678 178.726 176.094 -0.076 0.000 1.044 688 V CA 1.618 63.885 62.300 -0.055 0.000 1.036 688 V CB -0.954 30.833 31.823 -0.060 0.000 0.664 688 V HN 0.822 nan 8.190 nan 0.000 0.453 689 M N 1.334 120.878 119.600 -0.093 0.000 2.108 689 M HA -0.210 4.271 4.480 0.001 0.000 0.257 689 M C 2.365 178.624 176.300 -0.069 0.000 1.071 689 M CA 2.358 57.598 55.300 -0.100 0.000 1.093 689 M CB -1.149 31.408 32.600 -0.073 0.000 1.345 689 M HN 0.551 nan 8.290 nan 0.000 0.403 690 S N -0.373 115.300 115.700 -0.045 0.000 2.469 690 S HA -0.116 4.355 4.470 0.001 0.000 0.238 690 S C 1.722 176.317 174.600 -0.008 0.000 0.998 690 S CA 0.881 59.066 58.200 -0.024 0.000 0.957 690 S CB -0.439 62.749 63.200 -0.020 0.000 0.764 690 S HN 0.555 nan 8.310 nan 0.000 0.514 691 R N 0.533 121.036 120.500 0.005 0.000 2.427 691 R HA 0.517 4.858 4.340 0.001 0.000 0.262 691 R C 2.095 178.471 176.300 0.127 0.000 0.943 691 R CA 0.431 56.565 56.100 0.056 0.000 1.081 691 R CB -0.246 30.093 30.300 0.065 0.000 1.166 691 R HN 0.435 nan 8.270 nan 0.000 0.534 692 A N 1.852 124.682 122.820 0.017 0.000 1.903 692 A HA -0.281 4.039 4.320 0.001 0.000 0.219 692 A C 1.833 179.470 177.584 0.088 0.000 1.191 692 A CA 1.696 53.699 52.037 -0.056 0.000 0.638 692 A CB -0.284 18.634 19.000 -0.136 0.000 0.823 692 A HN 0.382 nan 8.150 nan 0.000 0.451 693 E N -0.347 119.895 120.200 0.069 0.000 2.209 693 E HA -0.170 4.181 4.350 0.001 0.000 0.196 693 E C 1.294 177.958 176.600 0.107 0.000 0.993 693 E CA 0.894 57.341 56.400 0.078 0.000 0.819 693 E CB -0.189 29.538 29.700 0.046 0.000 0.745 693 E HN 0.548 nan 8.360 nan 0.000 0.477 694 N N -0.048 118.722 118.700 0.117 0.000 2.573 694 N HA -0.082 4.658 4.740 0.001 0.000 0.187 694 N C 0.853 176.374 175.510 0.018 0.000 1.107 694 N CA 0.655 53.733 53.050 0.047 0.000 0.918 694 N CB -0.061 38.415 38.487 -0.018 0.000 0.966 694 N HN 0.189 nan 8.380 nan 0.000 0.448 695 F N 1.172 121.079 119.950 -0.073 0.000 2.748 695 F HA 0.090 4.618 4.527 0.001 0.000 0.299 695 F C 1.917 177.719 175.800 0.002 0.000 1.154 695 F CA 0.311 58.264 58.000 -0.079 0.000 1.446 695 F CB 0.215 39.119 39.000 -0.160 0.000 1.112 695 F HN -0.076 nan 8.300 nan 0.000 0.584 696 K N 0.084 120.583 120.400 0.166 0.000 2.281 696 K HA -0.183 4.138 4.320 0.001 0.000 0.203 696 K C 1.186 177.846 176.600 0.101 0.000 1.046 696 K CA 1.073 57.437 56.287 0.128 0.000 0.938 696 K CB -0.153 32.402 32.500 0.092 0.000 0.737 696 K HN 0.407 nan 8.250 nan 0.000 0.458 697 Q N 0.594 120.436 119.800 0.068 0.000 2.189 697 Q HA 0.082 4.423 4.340 0.001 0.000 0.221 697 Q C -0.339 175.700 176.000 0.065 0.000 0.848 697 Q CA -0.144 55.693 55.803 0.057 0.000 1.007 697 Q CB 0.880 29.637 28.738 0.033 0.000 1.116 697 Q HN 0.096 nan 8.270 nan 0.000 0.481 698 V N -3.501 116.467 119.914 0.090 0.000 3.130 698 V HA 0.521 4.642 4.120 0.001 0.000 0.310 698 V C -1.061 175.168 176.094 0.225 0.000 1.158 698 V CA -1.237 61.137 62.300 0.123 0.000 1.029 698 V CB 2.409 34.258 31.823 0.043 0.000 1.057 698 V HN 0.014 nan 8.190 nan 0.000 0.436 699 E N 1.547 121.914 120.200 0.278 0.000 2.146 699 E HA 0.463 4.813 4.350 0.001 0.000 0.282 699 E C -1.908 175.065 176.600 0.622 0.000 0.989 699 E CA -0.396 56.246 56.400 0.405 0.000 0.799 699 E CB 1.906 31.781 29.700 0.292 0.000 1.088 699 E HN 0.701 nan 8.360 nan 0.000 0.397 700 Y N 3.373 123.934 120.300 0.435 0.000 2.376 700 Y HA 0.427 4.978 4.550 0.001 0.000 0.340 700 Y C -1.650 174.328 175.900 0.130 0.000 0.965 700 Y CA -1.403 56.890 58.100 0.323 0.000 1.078 700 Y CB 1.056 39.753 38.460 0.395 0.000 1.193 700 Y HN 0.418 nan 8.280 nan 0.000 0.452 701 L N 7.761 128.705 121.223 -0.465 0.000 2.325 701 L HA 0.603 4.944 4.340 0.001 0.000 0.281 701 L C -2.131 174.300 176.870 -0.731 0.000 1.004 701 L CA -0.785 53.647 54.840 -0.680 0.000 0.823 701 L CB 1.283 42.653 42.059 -1.149 0.000 1.236 701 L HN 0.651 nan 8.230 nan 0.000 0.415 702 L N 6.780 127.664 121.223 -0.565 0.000 2.305 702 L HA 0.686 5.027 4.340 0.001 0.000 0.284 702 L C -1.117 175.621 176.870 -0.220 0.000 1.013 702 L CA -0.035 54.517 54.840 -0.481 0.000 0.819 702 L CB 1.105 42.900 42.059 -0.440 0.000 1.227 702 L HN 0.577 nan 8.230 nan 0.000 0.417 703 I N 4.454 124.901 120.570 -0.205 0.000 2.608 703 I HA 0.501 4.672 4.170 0.001 0.000 0.295 703 I C -1.085 175.000 176.117 -0.054 0.000 1.049 703 I CA -0.759 60.472 61.300 -0.115 0.000 1.063 703 I CB 2.065 39.964 38.000 -0.169 0.000 1.248 703 I HN 0.684 nan 8.210 nan 0.000 0.424 704 H N 1.954 121.057 119.070 0.055 0.000 3.123 704 H HA 0.433 4.990 4.556 0.001 0.000 0.346 704 H C -0.447 175.099 175.328 0.363 0.000 1.138 704 H CA -0.622 55.511 56.048 0.143 0.000 1.273 704 H CB 1.873 31.661 29.762 0.044 0.000 1.926 704 H HN 0.771 nan 8.280 nan 0.000 0.524 705 G N 1.043 110.206 108.800 0.605 0.000 2.390 705 G HA2 0.218 4.179 3.960 0.001 0.000 0.270 705 G HA3 0.218 4.179 3.960 0.001 0.000 0.270 705 G C 1.169 176.362 174.900 0.489 0.000 1.211 705 G CA 0.152 45.560 45.100 0.513 0.000 0.842 705 G HN 0.745 nan 8.290 nan 0.000 0.519 706 T N -0.597 114.108 114.554 0.251 0.000 2.915 706 T HA 0.047 4.398 4.350 0.001 0.000 0.269 706 T C 1.763 176.465 174.700 0.004 0.000 1.071 706 T CA 1.311 63.383 62.100 -0.048 0.000 1.132 706 T CB 0.110 68.881 68.868 -0.161 0.000 0.878 706 T HN 0.693 nan 8.240 nan 0.000 0.479 707 A N 1.182 124.073 122.820 0.119 0.000 2.684 707 A HA 0.301 4.622 4.320 0.001 0.000 0.288 707 A C 0.424 177.973 177.584 -0.058 0.000 1.337 707 A CA -0.493 51.587 52.037 0.072 0.000 0.946 707 A CB -0.408 18.900 19.000 0.513 0.000 1.093 707 A HN 0.384 nan 8.150 nan 0.000 0.543 708 D N 1.494 121.888 120.400 -0.009 0.000 2.342 708 D HA -0.010 4.631 4.640 0.001 0.000 0.260 708 D C 0.437 176.703 176.300 -0.057 0.000 1.278 708 D CA 0.104 54.195 54.000 0.152 0.000 0.910 708 D CB 0.645 41.700 40.800 0.424 0.000 1.079 708 D HN 0.582 nan 8.370 nan 0.000 0.496 709 D N 2.376 122.791 120.400 0.026 0.000 2.347 709 D HA -0.138 4.503 4.640 0.001 0.000 0.213 709 D C 0.934 177.219 176.300 -0.025 0.000 0.985 709 D CA -0.084 53.895 54.000 -0.036 0.000 0.879 709 D CB 0.443 41.210 40.800 -0.056 0.000 0.919 709 D HN 0.227 nan 8.370 nan 0.000 0.526 710 N N 0.886 119.659 118.700 0.122 0.000 2.335 710 N HA -0.049 4.692 4.740 0.001 0.000 0.197 710 N C -0.022 175.423 175.510 -0.110 0.000 1.045 710 N CA 0.536 53.694 53.050 0.181 0.000 0.928 710 N CB 0.450 39.044 38.487 0.179 0.000 1.118 710 N HN -0.091 nan 8.380 nan 0.000 0.471 711 V N 3.975 123.858 119.914 -0.053 0.000 2.304 711 V HA 0.194 4.315 4.120 0.001 0.000 0.269 711 V C -0.552 175.577 176.094 0.059 0.000 1.036 711 V CA -0.683 61.620 62.300 0.006 0.000 0.840 711 V CB 0.149 32.035 31.823 0.106 0.000 1.036 711 V HN 0.304 nan 8.190 nan 0.000 0.466 712 H N 3.434 122.489 119.070 -0.026 0.000 2.871 712 H HA 0.002 4.558 4.556 0.001 0.000 0.355 712 H C 0.899 176.087 175.328 -0.233 0.000 1.092 712 H CA -0.183 55.769 56.048 -0.161 0.000 1.420 712 H CB 0.574 30.160 29.762 -0.293 0.000 1.400 712 H HN 0.620 nan 8.280 nan 0.000 0.604 713 F N 1.897 121.634 119.950 -0.355 0.000 2.192 713 F HA -0.293 4.235 4.527 0.001 0.000 0.301 713 F C 2.603 178.142 175.800 -0.434 0.000 1.079 713 F CA 1.936 59.531 58.000 -0.675 0.000 1.303 713 F CB -0.088 38.694 39.000 -0.364 0.000 1.024 713 F HN 0.665 nan 8.300 nan 0.000 0.494 714 Q N 0.134 119.823 119.800 -0.185 0.000 2.156 714 Q HA -0.321 4.020 4.340 0.001 0.000 0.211 714 Q C 2.064 177.858 176.000 -0.344 0.000 0.995 714 Q CA 2.323 57.963 55.803 -0.272 0.000 0.877 714 Q CB -0.361 28.170 28.738 -0.345 0.000 0.920 714 Q HN 0.589 nan 8.270 nan 0.000 0.416 715 Q N -0.299 119.347 119.800 -0.257 0.000 2.061 715 Q HA -0.121 4.220 4.340 0.001 0.000 0.204 715 Q C 2.267 178.187 176.000 -0.133 0.000 0.984 715 Q CA 1.750 57.518 55.803 -0.059 0.000 0.846 715 Q CB -0.130 28.640 28.738 0.053 0.000 0.902 715 Q HN 0.337 nan 8.270 nan 0.000 0.421 716 S N 0.612 116.130 115.700 -0.304 0.000 2.436 716 S HA 0.007 4.478 4.470 0.001 0.000 0.228 716 S C 2.012 176.371 174.600 -0.403 0.000 1.014 716 S CA 0.675 58.685 58.200 -0.317 0.000 0.950 716 S CB -0.060 62.936 63.200 -0.341 0.000 0.784 716 S HN 0.460 nan 8.310 nan 0.000 0.504 717 A N 1.356 123.852 122.820 -0.540 0.000 1.933 717 A HA -0.127 4.194 4.320 0.001 0.000 0.218 717 A C 2.115 179.607 177.584 -0.153 0.000 1.175 717 A CA 1.127 52.978 52.037 -0.309 0.000 0.628 717 A CB -0.383 18.506 19.000 -0.185 0.000 0.814 717 A HN 0.358 nan 8.150 nan 0.000 0.444 718 Q N -0.525 119.197 119.800 -0.130 0.000 2.187 718 Q HA 0.022 4.362 4.340 0.001 0.000 0.199 718 Q C 2.091 178.042 176.000 -0.082 0.000 0.957 718 Q CA 0.897 56.672 55.803 -0.046 0.000 0.857 718 Q CB -0.274 28.514 28.738 0.083 0.000 0.929 718 Q HN 0.782 nan 8.270 nan 0.000 0.453 719 I N 1.060 121.552 120.570 -0.129 0.000 2.163 719 I HA -0.271 3.900 4.170 0.001 0.000 0.240 719 I C 2.539 178.485 176.117 -0.284 0.000 1.081 719 I CA 1.452 62.628 61.300 -0.206 0.000 1.353 719 I CB -0.422 37.463 38.000 -0.192 0.000 1.054 719 I HN 0.178 nan 8.210 nan 0.000 0.407 720 S N 0.942 116.498 115.700 -0.240 0.000 2.368 720 S HA -0.284 4.187 4.470 0.001 0.000 0.225 720 S C 2.031 176.600 174.600 -0.051 0.000 1.030 720 S CA 1.529 59.613 58.200 -0.193 0.000 0.999 720 S CB -0.466 62.795 63.200 0.103 0.000 0.844 720 S HN 0.372 nan 8.310 nan 0.000 0.459 721 K N 1.757 122.133 120.400 -0.039 0.000 2.057 721 K HA 0.035 4.355 4.320 0.001 0.000 0.207 721 K C 2.270 178.850 176.600 -0.034 0.000 1.049 721 K CA 1.168 57.450 56.287 -0.008 0.000 0.931 721 K CB -0.697 31.796 32.500 -0.011 0.000 0.714 721 K HN 0.447 nan 8.250 nan 0.000 0.440 722 A N 0.965 123.733 122.820 -0.087 0.000 1.933 722 A HA -0.092 4.229 4.320 0.001 0.000 0.218 722 A C 2.080 179.593 177.584 -0.120 0.000 1.175 722 A CA 1.250 53.227 52.037 -0.100 0.000 0.628 722 A CB -0.537 18.382 19.000 -0.136 0.000 0.814 722 A HN 0.322 nan 8.150 nan 0.000 0.444 723 L N -0.759 120.346 121.223 -0.198 0.000 2.056 723 L HA -0.121 4.219 4.340 0.001 0.000 0.207 723 L C 2.498 179.388 176.870 0.034 0.000 1.078 723 L CA 0.846 55.579 54.840 -0.178 0.000 0.749 723 L CB -0.538 41.246 42.059 -0.457 0.000 0.901 723 L HN 0.227 nan 8.230 nan 0.000 0.433 724 V N -0.078 119.897 119.914 0.102 0.000 2.407 724 V HA -0.290 3.831 4.120 0.001 0.000 0.248 724 V C 2.049 178.184 176.094 0.068 0.000 1.055 724 V CA 1.847 64.229 62.300 0.137 0.000 1.049 724 V CB -0.514 31.389 31.823 0.134 0.000 0.662 724 V HN 0.435 nan 8.190 nan 0.000 0.455 725 D N 0.349 120.769 120.400 0.032 0.000 2.178 725 D HA -0.111 4.530 4.640 0.001 0.000 0.201 725 D C 1.797 178.110 176.300 0.021 0.000 0.980 725 D CA 1.723 55.735 54.000 0.020 0.000 0.842 725 D CB -0.148 40.654 40.800 0.004 0.000 0.948 725 D HN 0.558 nan 8.370 nan 0.000 0.472 726 V N -3.401 116.525 119.914 0.020 0.000 3.596 726 V HA 0.481 4.602 4.120 0.001 0.000 0.289 726 V C 1.261 177.383 176.094 0.047 0.000 1.336 726 V CA 0.249 62.566 62.300 0.027 0.000 1.137 726 V CB -0.203 31.631 31.823 0.018 0.000 0.966 726 V HN 0.156 nan 8.190 nan 0.000 0.428 727 G N 0.409 109.246 108.800 0.061 0.000 2.246 727 G HA2 -0.189 3.772 3.960 0.001 0.000 0.273 727 G HA3 -0.189 3.772 3.960 0.001 0.000 0.273 727 G C -0.082 174.879 174.900 0.102 0.000 1.055 727 G CA 0.266 45.411 45.100 0.075 0.000 0.851 727 G HN 0.811 nan 8.290 nan 0.000 0.500 728 V N 0.398 120.393 119.914 0.135 0.000 2.394 728 V HA 0.474 4.595 4.120 0.001 0.000 0.282 728 V C 0.399 176.669 176.094 0.294 0.000 1.031 728 V CA -0.586 61.825 62.300 0.184 0.000 0.881 728 V CB 1.778 33.699 31.823 0.163 0.000 0.982 728 V HN 0.429 nan 8.190 nan 0.000 0.451 729 D N 3.820 124.370 120.400 0.249 0.000 2.304 729 D HA 0.607 5.248 4.640 0.001 0.000 0.247 729 D C -0.554 175.976 176.300 0.383 0.000 1.089 729 D CA 0.204 54.337 54.000 0.221 0.000 0.910 729 D CB 0.839 41.706 40.800 0.112 0.000 1.199 729 D HN 0.373 nan 8.370 nan 0.000 0.426 730 F N -0.506 119.525 119.950 0.134 0.000 2.817 730 F HA 0.482 5.010 4.527 0.001 0.000 0.317 730 F C -1.560 174.301 175.800 0.101 0.000 1.168 730 F CA -1.176 56.928 58.000 0.173 0.000 0.911 730 F CB 0.800 39.944 39.000 0.239 0.000 1.337 730 F HN 0.035 nan 8.300 nan 0.000 0.464 731 Q N 1.456 121.345 119.800 0.149 0.000 2.274 731 Q HA 0.833 5.173 4.340 0.001 0.000 0.260 731 Q C -0.803 175.207 176.000 0.017 0.000 0.974 731 Q CA -0.770 55.027 55.803 -0.010 0.000 0.876 731 Q CB 1.920 30.674 28.738 0.027 0.000 1.297 731 Q HN 1.046 nan 8.270 nan 0.000 0.446 732 A N 1.664 124.453 122.820 -0.051 0.000 2.566 732 A HA 0.886 5.207 4.320 0.001 0.000 0.292 732 A C -1.339 176.171 177.584 -0.124 0.000 1.112 732 A CA -0.590 51.442 52.037 -0.008 0.000 0.707 732 A CB 1.953 21.028 19.000 0.125 0.000 1.302 732 A HN 0.608 nan 8.150 nan 0.000 0.409 733 M N 1.135 120.643 119.600 -0.154 0.000 2.274 733 M HA 0.559 5.040 4.480 0.001 0.000 0.272 733 M C -2.049 174.091 176.300 -0.267 0.000 1.053 733 M CA -0.564 54.489 55.300 -0.413 0.000 0.978 733 M CB 1.091 33.336 32.600 -0.591 0.000 1.836 733 M HN 0.962 nan 8.290 nan 0.000 0.484 734 W N 4.190 125.324 121.300 -0.275 0.000 2.516 734 W HA 0.785 5.446 4.660 0.001 0.000 0.343 734 W C -1.981 174.283 176.519 -0.425 0.000 1.094 734 W CA -0.911 56.363 57.345 -0.118 0.000 1.250 734 W CB 0.385 29.838 29.460 -0.012 0.000 1.308 734 W HN 0.627 nan 8.180 nan 0.000 0.588 735 Y N 2.194 122.636 120.300 0.237 0.000 2.376 735 Y HA 0.293 4.844 4.550 0.001 0.000 0.326 735 Y C 0.470 176.489 175.900 0.198 0.000 0.970 735 Y CA -1.015 57.139 58.100 0.090 0.000 1.248 735 Y CB 1.598 40.084 38.460 0.043 0.000 1.117 735 Y HN 0.413 nan 8.280 nan 0.000 0.476 736 T N 4.532 119.260 114.554 0.291 0.000 2.871 736 T HA -0.038 4.313 4.350 0.001 0.000 0.296 736 T C 0.187 174.966 174.700 0.133 0.000 0.998 736 T CA 0.630 62.845 62.100 0.191 0.000 1.162 736 T CB -0.108 68.814 68.868 0.091 0.000 0.947 736 T HN 0.718 nan 8.240 nan 0.000 0.536 737 D N 0.848 121.300 120.400 0.085 0.000 3.077 737 D HA -0.124 4.517 4.640 0.001 0.000 0.217 737 D C 0.268 176.705 176.300 0.230 0.000 1.162 737 D CA 1.144 55.141 54.000 -0.004 0.000 0.943 737 D CB -0.373 40.236 40.800 -0.319 0.000 1.122 737 D HN 0.542 nan 8.370 nan 0.000 0.413 738 E N 0.828 121.181 120.200 0.256 0.000 2.277 738 E HA 0.333 4.684 4.350 0.001 0.000 0.274 738 E C 0.758 177.549 176.600 0.320 0.000 1.022 738 E CA -0.309 56.261 56.400 0.283 0.000 0.853 738 E CB 1.222 31.081 29.700 0.265 0.000 1.086 738 E HN 0.331 nan 8.360 nan 0.000 0.397 739 D N -0.314 120.284 120.400 0.330 0.000 2.511 739 D HA 0.000 4.641 4.640 0.001 0.000 0.283 739 D C 1.076 177.614 176.300 0.398 0.000 1.198 739 D CA -0.141 54.077 54.000 0.364 0.000 1.097 739 D CB -0.201 40.837 40.800 0.395 0.000 1.160 739 D HN 0.411 nan 8.370 nan 0.000 0.589 740 H N -1.605 117.657 119.070 0.321 0.000 2.456 740 H HA 0.114 4.671 4.556 0.001 0.000 0.296 740 H C 1.904 177.498 175.328 0.444 0.000 1.079 740 H CA 2.081 58.345 56.048 0.360 0.000 1.322 740 H CB -0.356 29.599 29.762 0.322 0.000 1.388 740 H HN 0.485 nan 8.280 nan 0.000 0.538 741 G N -0.334 108.650 108.800 0.307 0.000 2.551 741 G HA2 -0.011 3.950 3.960 0.001 0.000 0.216 741 G HA3 -0.011 3.950 3.960 0.001 0.000 0.216 741 G C 0.709 175.791 174.900 0.303 0.000 1.137 741 G CA 0.305 45.509 45.100 0.174 0.000 0.798 741 G HN 0.512 nan 8.290 nan 0.000 0.536 742 I N 0.109 120.872 120.570 0.322 0.000 6.272 742 I HA -0.330 3.841 4.170 0.001 0.000 0.126 742 I C 1.648 177.888 176.117 0.205 0.000 1.619 742 I CA 0.116 61.557 61.300 0.236 0.000 2.452 742 I CB -1.074 37.048 38.000 0.204 0.000 3.064 742 I HN 0.264 nan 8.210 nan 0.000 0.279 743 A N 0.854 123.770 122.820 0.159 0.000 2.308 743 A HA 0.244 4.565 4.320 0.001 0.000 0.217 743 A C 1.244 178.869 177.584 0.068 0.000 1.216 743 A CA 0.601 52.689 52.037 0.086 0.000 0.864 743 A CB 0.075 19.096 19.000 0.034 0.000 0.902 743 A HN 0.652 nan 8.150 nan 0.000 0.499 744 S N -0.397 115.362 115.700 0.099 0.000 2.573 744 S HA 0.137 4.608 4.470 0.001 0.000 0.277 744 S C 1.234 175.887 174.600 0.088 0.000 1.346 744 S CA 0.358 58.610 58.200 0.087 0.000 1.034 744 S CB 1.032 64.292 63.200 0.101 0.000 0.879 744 S HN 0.487 nan 8.310 nan 0.000 0.528 745 S N 1.930 117.671 115.700 0.069 0.000 2.365 745 S HA -0.182 4.289 4.470 0.001 0.000 0.225 745 S C 2.078 176.737 174.600 0.099 0.000 1.039 745 S CA 2.263 60.509 58.200 0.077 0.000 1.033 745 S CB -1.602 61.624 63.200 0.044 0.000 0.887 745 S HN 1.041 nan 8.310 nan 0.000 0.447 746 T N -0.069 114.532 114.554 0.079 0.000 2.777 746 T HA 0.159 4.509 4.350 0.001 0.000 0.266 746 T C 2.010 176.762 174.700 0.086 0.000 1.040 746 T CA 1.305 63.453 62.100 0.079 0.000 1.141 746 T CB -0.984 67.923 68.868 0.065 0.000 0.868 746 T HN 0.465 nan 8.240 nan 0.000 0.444 747 A N 1.452 124.304 122.820 0.053 0.000 1.930 747 A HA -0.087 4.233 4.320 0.001 0.000 0.217 747 A C 2.208 179.741 177.584 -0.084 0.000 1.175 747 A CA 1.997 53.993 52.037 -0.070 0.000 0.627 747 A CB -1.210 17.719 19.000 -0.118 0.000 0.815 747 A HN 0.746 nan 8.150 nan 0.000 0.443 748 H N -0.051 119.000 119.070 -0.033 0.000 2.319 748 H HA -0.140 4.417 4.556 0.001 0.000 0.299 748 H C 2.089 177.483 175.328 0.109 0.000 1.092 748 H CA 2.358 58.443 56.048 0.060 0.000 1.302 748 H CB -0.247 29.555 29.762 0.068 0.000 1.373 748 H HN 0.580 nan 8.280 nan 0.000 0.497 749 Q N -1.067 118.724 119.800 -0.017 0.000 2.124 749 Q HA -0.183 4.158 4.340 0.001 0.000 0.202 749 Q C 2.203 178.186 176.000 -0.029 0.000 0.977 749 Q CA 1.340 57.096 55.803 -0.079 0.000 0.850 749 Q CB -0.170 28.564 28.738 -0.007 0.000 0.901 749 Q HN 0.634 nan 8.270 nan 0.000 0.429 750 H N 0.655 119.694 119.070 -0.053 0.000 2.357 750 H HA -0.054 4.503 4.556 0.001 0.000 0.301 750 H C 2.037 177.361 175.328 -0.007 0.000 1.082 750 H CA 1.242 57.296 56.048 0.010 0.000 1.342 750 H CB 0.016 29.836 29.762 0.096 0.000 1.389 750 H HN 0.276 nan 8.280 nan 0.000 0.511 751 I N 0.134 120.674 120.570 -0.050 0.000 2.226 751 I HA -0.325 3.846 4.170 0.001 0.000 0.245 751 I C 1.797 177.697 176.117 -0.362 0.000 1.100 751 I CA 1.255 62.444 61.300 -0.185 0.000 1.374 751 I CB -0.271 37.438 38.000 -0.486 0.000 1.057 751 I HN 0.125 nan 8.210 nan 0.000 0.413 752 Y N 0.929 121.029 120.300 -0.333 0.000 2.293 752 Y HA -0.195 4.356 4.550 0.001 0.000 0.291 752 Y C 2.698 178.390 175.900 -0.346 0.000 1.137 752 Y CA 1.791 59.579 58.100 -0.519 0.000 1.202 752 Y CB -0.835 37.322 38.460 -0.504 0.000 0.990 752 Y HN 0.169 nan 8.280 nan 0.000 0.537 753 T N -1.746 112.727 114.554 -0.135 0.000 2.737 753 T HA -0.216 4.135 4.350 0.001 0.000 0.265 753 T C 1.570 176.130 174.700 -0.234 0.000 1.038 753 T CA 1.824 63.798 62.100 -0.209 0.000 1.144 753 T CB -0.445 68.306 68.868 -0.194 0.000 0.866 753 T HN 0.407 nan 8.240 nan 0.000 0.434 754 H N 0.840 119.784 119.070 -0.209 0.000 2.353 754 H HA 0.100 4.657 4.556 0.001 0.000 0.300 754 H C 2.174 177.490 175.328 -0.020 0.000 1.090 754 H CA 1.570 57.576 56.048 -0.071 0.000 1.327 754 H CB -0.220 29.499 29.762 -0.072 0.000 1.383 754 H HN 0.245 nan 8.280 nan 0.000 0.508 755 M N -0.835 118.720 119.600 -0.074 0.000 2.229 755 M HA -0.147 4.334 4.480 0.001 0.000 0.264 755 M C 2.356 178.779 176.300 0.204 0.000 1.063 755 M CA 1.383 56.644 55.300 -0.065 0.000 1.114 755 M CB 0.076 32.385 32.600 -0.485 0.000 1.387 755 M HN 0.211 nan 8.290 nan 0.000 0.420 756 S N -0.630 115.200 115.700 0.216 0.000 2.355 756 S HA -0.138 4.333 4.470 0.001 0.000 0.222 756 S C 1.692 176.389 174.600 0.162 0.000 1.031 756 S CA 0.957 59.375 58.200 0.362 0.000 0.993 756 S CB -0.564 62.834 63.200 0.331 0.000 0.859 756 S HN 0.468 nan 8.310 nan 0.000 0.453 757 H N 0.030 119.159 119.070 0.098 0.000 2.352 757 H HA -0.041 4.515 4.556 0.001 0.000 0.299 757 H C 1.969 177.305 175.328 0.013 0.000 1.097 757 H CA 1.277 57.336 56.048 0.018 0.000 1.311 757 H CB -0.734 28.982 29.762 -0.077 0.000 1.377 757 H HN 0.439 nan 8.280 nan 0.000 0.504 758 F N 1.299 121.244 119.950 -0.008 0.000 2.102 758 F HA -0.189 4.339 4.527 0.001 0.000 0.298 758 F C 2.281 178.048 175.800 -0.055 0.000 1.105 758 F CA 0.907 58.878 58.000 -0.049 0.000 1.239 758 F CB -0.280 38.679 39.000 -0.068 0.000 0.991 758 F HN -0.046 nan 8.300 nan 0.000 0.474 759 I N 0.610 121.194 120.570 0.022 0.000 2.142 759 I HA -0.279 3.892 4.170 0.001 0.000 0.240 759 I C 2.277 178.208 176.117 -0.310 0.000 1.078 759 I CA 1.532 62.682 61.300 -0.251 0.000 1.343 759 I CB -1.389 36.544 38.000 -0.111 0.000 1.046 759 I HN 0.181 nan 8.210 nan 0.000 0.405 760 K N 0.309 120.673 120.400 -0.060 0.000 2.063 760 K HA -0.241 4.079 4.320 0.001 0.000 0.208 760 K C 2.149 178.744 176.600 -0.009 0.000 1.048 760 K CA 1.373 57.678 56.287 0.029 0.000 0.928 760 K CB -0.267 32.294 32.500 0.102 0.000 0.713 760 K HN 0.313 nan 8.250 nan 0.000 0.442 761 Q N 1.137 120.892 119.800 -0.075 0.000 2.084 761 Q HA -0.207 4.134 4.340 0.001 0.000 0.202 761 Q C 2.226 178.130 176.000 -0.160 0.000 0.978 761 Q CA 1.813 57.555 55.803 -0.103 0.000 0.844 761 Q CB -0.585 28.076 28.738 -0.128 0.000 0.898 761 Q HN 0.445 nan 8.270 nan 0.000 0.426 762 c N 0.095 118.493 118.600 -0.336 0.000 2.435 762 c HA -0.036 4.535 4.570 0.001 0.000 0.279 762 c C 2.032 176.123 174.090 0.002 0.000 1.321 762 c CA 0.279 56.416 56.329 -0.320 0.000 1.752 762 c CB -1.259 40.881 42.510 -0.617 0.000 1.959 762 c HN 0.502 nan 8.230 nan 0.000 0.500 763 F N 1.494 121.403 119.950 -0.067 0.000 2.727 763 F HA 0.269 4.797 4.527 0.001 0.000 0.302 763 F C 1.612 177.397 175.800 -0.025 0.000 1.097 763 F CA 0.295 58.277 58.000 -0.030 0.000 1.330 763 F CB -1.051 37.941 39.000 -0.014 0.000 1.084 763 F HN 0.198 nan 8.300 nan 0.000 0.578 764 S N 0.932 116.715 115.700 0.138 0.000 3.749 764 S HA -0.188 4.283 4.470 0.001 0.000 0.348 764 S C -0.075 174.568 174.600 0.072 0.000 1.045 764 S CA 0.096 58.340 58.200 0.073 0.000 1.051 764 S CB -2.153 61.078 63.200 0.051 0.000 0.898 764 S HN 0.222 nan 8.310 nan 0.000 0.472 765 L N 0.701 121.981 121.223 0.094 0.000 2.309 765 L HA 0.502 4.842 4.340 0.001 0.000 0.282 765 L C -1.429 175.484 176.870 0.071 0.000 1.036 765 L CA -2.258 52.633 54.840 0.084 0.000 0.806 765 L CB 0.435 42.563 42.059 0.115 0.000 1.220 765 L HN 0.000 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 63.135 63.100 0.058 0.000 0.800 766 P CB 0.000 31.729 31.700 0.048 0.000 0.726