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 3hab_1_A DATA FIRST_RESID 39 DATA SEQUENCE TRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 T HA 0.000 nan 4.350 nan 0.000 0.228 39 T C 0.000 174.737 174.700 0.061 0.000 1.109 39 T CA 0.000 62.128 62.100 0.046 0.000 1.349 39 T CB 0.000 68.891 68.868 0.038 0.000 0.612 40 R N 3.303 123.850 120.500 0.077 0.000 2.583 40 R HA 0.553 4.894 4.340 0.001 0.000 0.268 40 R C 0.271 176.628 176.300 0.095 0.000 1.101 40 R CA -0.956 55.194 56.100 0.083 0.000 1.180 40 R CB 0.730 31.080 30.300 0.083 0.000 1.128 40 R HN 0.745 nan 8.270 nan 0.000 0.568 41 K N 0.341 120.803 120.400 0.103 0.000 2.230 41 K HA 0.098 4.419 4.320 0.001 0.000 0.253 41 K C -0.016 176.660 176.600 0.128 0.000 1.008 41 K CA -0.354 56.004 56.287 0.117 0.000 0.910 41 K CB 0.258 32.840 32.500 0.137 0.000 0.994 41 K HN 0.775 nan 8.250 nan 0.000 0.495 42 T N -2.081 112.557 114.554 0.141 0.000 2.923 42 T HA 0.149 4.499 4.350 0.001 0.000 0.281 42 T C -0.701 174.132 174.700 0.221 0.000 0.995 42 T CA -0.814 61.384 62.100 0.163 0.000 0.985 42 T CB 0.513 69.475 68.868 0.156 0.000 1.114 42 T HN 0.534 nan 8.240 nan 0.000 0.548 43 Y N 2.302 122.672 120.300 0.118 0.000 2.452 43 Y HA 0.398 4.949 4.550 0.001 0.000 0.348 43 Y C 0.873 176.935 175.900 0.271 0.000 0.985 43 Y CA -0.321 57.884 58.100 0.175 0.000 1.214 43 Y CB 0.019 38.539 38.460 0.100 0.000 1.136 43 Y HN 1.028 nan 8.280 nan 0.000 0.523 44 T N 2.428 116.985 114.554 0.005 0.000 2.897 44 T HA 0.162 4.513 4.350 0.001 0.000 0.278 44 T C 0.863 175.503 174.700 -0.101 0.000 0.981 44 T CA -0.754 61.410 62.100 0.107 0.000 0.973 44 T CB 1.269 70.159 68.868 0.036 0.000 1.092 44 T HN 0.684 nan 8.240 nan 0.000 0.543 45 L N 0.886 121.869 121.223 -0.401 0.000 2.083 45 L HA 0.039 4.380 4.340 0.001 0.000 0.209 45 L C 2.553 179.278 176.870 -0.242 0.000 1.083 45 L CA 2.125 56.573 54.840 -0.652 0.000 0.752 45 L CB -1.437 40.090 42.059 -0.887 0.000 0.899 45 L HN 0.952 nan 8.230 nan 0.000 0.433 46 T N -0.663 113.780 114.554 -0.185 0.000 2.821 46 T HA -0.145 4.206 4.350 0.001 0.000 0.267 46 T C 1.479 176.089 174.700 -0.150 0.000 1.046 46 T CA 1.344 63.364 62.100 -0.134 0.000 1.139 46 T CB -0.396 68.415 68.868 -0.094 0.000 0.871 46 T HN 0.382 nan 8.240 nan 0.000 0.454 47 D N 0.361 120.639 120.400 -0.203 0.000 2.104 47 D HA -0.111 4.530 4.640 0.001 0.000 0.194 47 D C 1.755 177.939 176.300 -0.193 0.000 0.994 47 D CA 1.138 54.975 54.000 -0.272 0.000 0.830 47 D CB -0.454 40.059 40.800 -0.480 0.000 0.959 47 D HN 0.427 nan 8.370 nan 0.000 0.452 48 Y N 1.458 121.574 120.300 -0.308 0.000 2.145 48 Y HA -0.123 4.428 4.550 0.001 0.000 0.286 48 Y C 2.200 178.105 175.900 0.008 0.000 1.145 48 Y CA 1.279 59.376 58.100 -0.005 0.000 1.148 48 Y CB -0.586 37.947 38.460 0.121 0.000 0.981 48 Y HN -0.088 nan 8.280 nan 0.000 0.507 49 L N -0.044 120.999 121.223 -0.300 0.000 2.141 49 L HA -0.143 4.197 4.340 0.001 0.000 0.209 49 L C 1.770 178.528 176.870 -0.187 0.000 1.094 49 L CA 1.215 55.853 54.840 -0.336 0.000 0.763 49 L CB -0.401 41.534 42.059 -0.208 0.000 0.908 49 L HN 0.070 nan 8.230 nan 0.000 0.437 50 K N -0.147 120.169 120.400 -0.139 0.000 2.387 50 K HA 0.135 4.455 4.320 0.001 0.000 0.198 50 K C 0.036 176.585 176.600 -0.086 0.000 1.022 50 K CA -0.116 56.112 56.287 -0.099 0.000 1.128 50 K CB -0.063 32.382 32.500 -0.091 0.000 0.853 50 K HN 0.233 nan 8.250 nan 0.000 0.523 51 N N 1.385 120.041 118.700 -0.073 0.000 2.725 51 N HA -0.158 4.582 4.740 0.001 0.000 0.251 51 N C 0.283 175.774 175.510 -0.031 0.000 1.031 51 N CA 0.969 54.014 53.050 -0.008 0.000 0.720 51 N CB -1.395 37.085 38.487 -0.011 0.000 0.930 51 N HN 0.183 nan 8.380 nan 0.000 0.543 52 T N -1.205 113.282 114.554 -0.112 0.000 2.788 52 T HA -0.156 4.195 4.350 0.001 0.000 0.268 52 T C 0.497 174.971 174.700 -0.377 0.000 1.044 52 T CA 1.313 63.225 62.100 -0.314 0.000 1.139 52 T CB -0.090 68.454 68.868 -0.540 0.000 0.867 52 T HN 0.360 nan 8.240 nan 0.000 0.454 53 Y N 1.561 121.949 120.300 0.148 0.000 2.478 53 Y HA 0.505 5.055 4.550 0.001 0.000 0.329 53 Y C 0.335 176.347 175.900 0.186 0.000 0.967 53 Y CA -1.099 57.115 58.100 0.191 0.000 1.255 53 Y CB 0.513 39.150 38.460 0.294 0.000 1.103 53 Y HN -0.163 nan 8.280 nan 0.000 0.497 54 R N 2.553 123.195 120.500 0.237 0.000 2.346 54 R HA 0.453 4.794 4.340 0.001 0.000 0.311 54 R C -1.106 175.302 176.300 0.179 0.000 0.983 54 R CA -1.078 55.128 56.100 0.176 0.000 0.880 54 R CB 1.064 31.425 30.300 0.102 0.000 1.100 54 R HN 0.418 nan 8.270 nan 0.000 0.453 55 L N 3.586 124.919 121.223 0.184 0.000 2.410 55 L HA 0.138 4.479 4.340 0.001 0.000 0.273 55 L C 0.436 177.386 176.870 0.133 0.000 1.152 55 L CA 0.564 55.506 54.840 0.170 0.000 0.855 55 L CB 0.293 42.471 42.059 0.198 0.000 1.129 55 L HN 0.383 nan 8.230 nan 0.000 0.463 56 K N 3.098 123.572 120.400 0.123 0.000 2.144 56 K HA 0.566 4.887 4.320 0.001 0.000 0.270 56 K C -0.769 175.884 176.600 0.089 0.000 1.005 56 K CA -0.694 55.648 56.287 0.090 0.000 0.932 56 K CB 1.092 33.640 32.500 0.080 0.000 1.021 56 K HN 0.218 nan 8.250 nan 0.000 0.462 57 L N 1.202 122.408 121.223 -0.028 0.000 2.260 57 L HA 0.435 4.776 4.340 0.001 0.000 0.265 57 L C -1.050 175.560 176.870 -0.434 0.000 1.015 57 L CA -0.644 54.042 54.840 -0.257 0.000 0.826 57 L CB 0.582 42.591 42.059 -0.084 0.000 1.373 57 L HN 0.494 nan 8.230 nan 0.000 0.450 58 Y N -0.073 119.677 120.300 -0.917 0.000 2.517 58 Y HA 0.419 4.970 4.550 0.001 0.000 0.346 58 Y C -0.738 174.993 175.900 -0.281 0.000 1.113 58 Y CA -0.358 57.434 58.100 -0.514 0.000 1.295 58 Y CB 1.227 39.246 38.460 -0.735 0.000 1.094 58 Y HN 0.460 nan 8.280 nan 0.000 0.608 59 S N 5.994 121.623 115.700 -0.119 0.000 2.399 59 S HA 0.466 4.937 4.470 0.001 0.000 0.301 59 S C -0.611 173.962 174.600 -0.046 0.000 1.093 59 S CA -0.547 57.619 58.200 -0.057 0.000 1.077 59 S CB -0.326 62.846 63.200 -0.045 0.000 0.980 59 S HN 0.554 nan 8.310 nan 0.000 0.494 60 L N 1.802 122.959 121.223 -0.110 0.000 2.332 60 L HA 0.773 5.114 4.340 0.001 0.000 0.269 60 L C -0.191 176.600 176.870 -0.132 0.000 1.016 60 L CA -0.801 53.937 54.840 -0.169 0.000 0.809 60 L CB 0.754 42.414 42.059 -0.664 0.000 1.280 60 L HN 0.308 nan 8.230 nan 0.000 0.447 61 R N 1.087 121.557 120.500 -0.050 0.000 2.435 61 R HA 0.340 4.680 4.340 0.001 0.000 0.308 61 R C -1.688 174.657 176.300 0.076 0.000 0.975 61 R CA -0.307 55.811 56.100 0.030 0.000 0.867 61 R CB 1.048 31.398 30.300 0.084 0.000 1.171 61 R HN 0.682 nan 8.270 nan 0.000 0.470 62 W N 4.255 125.651 121.300 0.159 0.000 2.308 62 W HA 0.096 4.756 4.660 0.001 0.000 0.324 62 W C 1.548 178.138 176.519 0.119 0.000 1.387 62 W CA -0.395 57.052 57.345 0.170 0.000 1.250 62 W CB 0.458 30.017 29.460 0.165 0.000 1.257 62 W HN 0.657 nan 8.180 nan 0.000 0.554 63 I N 0.548 121.324 120.570 0.343 0.000 4.082 63 I HA 0.317 4.487 4.170 0.001 0.000 0.337 63 I C 0.639 176.856 176.117 0.167 0.000 1.352 63 I CA -0.096 61.309 61.300 0.175 0.000 1.097 63 I CB -0.162 37.858 38.000 0.033 0.000 1.048 63 I HN 0.254 nan 8.210 nan 0.000 0.393 64 S N 0.395 116.239 115.700 0.240 0.000 2.714 64 S HA 0.156 4.627 4.470 0.001 0.000 0.280 64 S C -0.111 174.628 174.600 0.232 0.000 1.200 64 S CA 0.012 58.334 58.200 0.203 0.000 0.900 64 S CB 0.589 63.887 63.200 0.164 0.000 1.235 64 S HN 0.274 nan 8.310 nan 0.000 0.512 65 D N 0.130 120.678 120.400 0.248 0.000 2.363 65 D HA -0.013 4.628 4.640 0.001 0.000 0.220 65 D C 0.989 177.523 176.300 0.390 0.000 0.994 65 D CA 1.583 55.712 54.000 0.217 0.000 0.890 65 D CB -0.751 40.162 40.800 0.187 0.000 0.906 65 D HN 0.947 nan 8.370 nan 0.000 0.530 66 H N -2.726 116.520 119.070 0.292 0.000 3.535 66 H HA 0.482 5.039 4.556 0.001 0.000 0.260 66 H C -0.126 175.362 175.328 0.268 0.000 1.173 66 H CA -0.596 55.631 56.048 0.299 0.000 1.168 66 H CB 0.557 30.463 29.762 0.241 0.000 1.568 66 H HN -0.058 nan 8.280 nan 0.000 0.602 67 E N 0.757 121.015 120.200 0.096 0.000 2.356 67 E HA 0.298 4.649 4.350 0.001 0.000 0.275 67 E C -1.755 174.983 176.600 0.230 0.000 0.904 67 E CA -1.354 55.041 56.400 -0.008 0.000 0.757 67 E CB 2.806 32.322 29.700 -0.306 0.000 1.232 67 E HN 0.345 nan 8.360 nan 0.000 0.442 68 Y N -0.503 119.780 120.300 -0.029 0.000 2.609 68 Y HA 0.691 5.241 4.550 0.001 0.000 0.342 68 Y C -1.463 174.406 175.900 -0.052 0.000 1.058 68 Y CA -1.302 56.704 58.100 -0.157 0.000 1.055 68 Y CB 0.855 38.904 38.460 -0.684 0.000 1.292 68 Y HN 0.319 nan 8.280 nan 0.000 0.476 69 L N 2.685 123.995 121.223 0.145 0.000 2.334 69 L HA 0.498 4.838 4.340 0.001 0.000 0.275 69 L C -1.349 175.718 176.870 0.328 0.000 1.036 69 L CA -0.983 53.930 54.840 0.123 0.000 0.807 69 L CB 1.523 43.577 42.059 -0.008 0.000 1.231 69 L HN 0.770 nan 8.230 nan 0.000 0.438 70 Y N 2.292 122.686 120.300 0.155 0.000 2.362 70 Y HA 0.274 4.825 4.550 0.001 0.000 0.326 70 Y C -0.650 175.288 175.900 0.064 0.000 1.083 70 Y CA -1.150 56.994 58.100 0.074 0.000 1.073 70 Y CB 1.440 39.937 38.460 0.060 0.000 1.211 70 Y HN 0.430 nan 8.280 nan 0.000 0.433 71 K N 5.225 125.351 120.400 -0.457 0.000 2.316 71 K HA 0.217 4.538 4.320 0.001 0.000 0.289 71 K C -0.892 175.352 176.600 -0.593 0.000 1.070 71 K CA -0.155 55.910 56.287 -0.370 0.000 0.928 71 K CB 0.547 32.938 32.500 -0.183 0.000 1.039 71 K HN 0.820 nan 8.250 nan 0.000 0.480 72 Q N 3.975 123.611 119.800 -0.274 0.000 2.290 72 Q HA 0.086 4.427 4.340 0.001 0.000 0.269 72 Q C -1.155 174.808 176.000 -0.062 0.000 1.016 72 Q CA -0.199 55.520 55.803 -0.141 0.000 0.754 72 Q CB 1.080 29.873 28.738 0.092 0.000 1.247 72 Q HN 0.722 nan 8.270 nan 0.000 0.451 73 E N 3.321 123.485 120.200 -0.060 0.000 2.389 73 E HA -0.363 3.987 4.350 0.001 0.000 0.243 73 E C -0.346 176.226 176.600 -0.047 0.000 1.154 73 E CA 0.542 56.919 56.400 -0.038 0.000 0.723 73 E CB -0.988 28.703 29.700 -0.015 0.000 1.261 73 E HN 0.932 nan 8.360 nan 0.000 0.390 74 N N -1.611 117.050 118.700 -0.064 0.000 2.929 74 N HA -0.189 4.552 4.740 0.001 0.000 0.234 74 N C -0.411 175.058 175.510 -0.069 0.000 0.908 74 N CA 1.393 54.408 53.050 -0.059 0.000 0.993 74 N CB -1.140 37.324 38.487 -0.039 0.000 1.075 74 N HN 0.441 nan 8.380 nan 0.000 0.603 75 N N 1.267 119.927 118.700 -0.068 0.000 2.444 75 N HA 0.275 5.016 4.740 0.001 0.000 0.271 75 N C 0.186 175.656 175.510 -0.066 0.000 1.069 75 N CA -0.130 52.880 53.050 -0.067 0.000 0.965 75 N CB 1.036 39.492 38.487 -0.051 0.000 1.092 75 N HN 0.188 nan 8.380 nan 0.000 0.476 76 I N 3.684 124.212 120.570 -0.069 0.000 2.379 76 I HA 0.144 4.314 4.170 0.001 0.000 0.290 76 I C 0.278 176.422 176.117 0.046 0.000 1.063 76 I CA -0.132 61.143 61.300 -0.042 0.000 1.351 76 I CB 0.405 38.342 38.000 -0.105 0.000 1.410 76 I HN 0.249 nan 8.210 nan 0.000 0.505 77 L N 6.758 128.015 121.223 0.057 0.000 2.334 77 L HA 0.609 4.950 4.340 0.001 0.000 0.272 77 L C -0.398 176.459 176.870 -0.022 0.000 1.020 77 L CA -1.063 53.775 54.840 -0.003 0.000 0.812 77 L CB 2.001 44.018 42.059 -0.070 0.000 1.264 77 L HN 0.230 nan 8.230 nan 0.000 0.439 78 V N 1.905 121.728 119.914 -0.152 0.000 2.417 78 V HA 0.407 4.528 4.120 0.001 0.000 0.291 78 V C -0.558 175.290 176.094 -0.410 0.000 1.024 78 V CA -0.319 61.865 62.300 -0.192 0.000 0.861 78 V CB 1.535 33.296 31.823 -0.102 0.000 0.985 78 V HN 0.367 nan 8.190 nan 0.000 0.436 79 F N 3.235 122.869 119.950 -0.526 0.000 2.443 79 F HA 0.412 4.939 4.527 0.001 0.000 0.335 79 F C 0.706 176.215 175.800 -0.485 0.000 1.104 79 F CA -0.451 57.183 58.000 -0.610 0.000 1.013 79 F CB 1.300 39.606 39.000 -1.156 0.000 1.136 79 F HN 0.414 nan 8.300 nan 0.000 0.470 80 N N 2.107 120.751 118.700 -0.094 0.000 2.430 80 N HA 0.167 4.907 4.740 0.001 0.000 0.265 80 N C 0.513 176.003 175.510 -0.034 0.000 1.100 80 N CA 0.176 53.215 53.050 -0.017 0.000 0.961 80 N CB 1.661 40.202 38.487 0.090 0.000 1.075 80 N HN 0.841 nan 8.380 nan 0.000 0.478 81 A N 3.847 126.599 122.820 -0.113 0.000 1.898 81 A HA -0.148 4.173 4.320 0.001 0.000 0.216 81 A C 1.903 179.255 177.584 -0.387 0.000 1.181 81 A CA 1.292 53.170 52.037 -0.265 0.000 0.620 81 A CB -0.406 18.245 19.000 -0.581 0.000 0.819 81 A HN 0.793 nan 8.150 nan 0.000 0.442 82 E N -0.862 119.100 120.200 -0.397 0.000 2.051 82 E HA -0.170 4.180 4.350 0.001 0.000 0.192 82 E C 1.358 177.685 176.600 -0.455 0.000 0.991 82 E CA 1.855 58.025 56.400 -0.383 0.000 0.799 82 E CB -0.360 29.066 29.700 -0.457 0.000 0.748 82 E HN 0.763 nan 8.360 nan 0.000 0.449 83 Y N -2.343 117.969 120.300 0.019 0.000 2.462 83 Y HA 0.310 4.861 4.550 0.001 0.000 0.253 83 Y C 1.569 177.482 175.900 0.022 0.000 1.095 83 Y CA 0.042 58.154 58.100 0.022 0.000 1.283 83 Y CB 1.140 39.615 38.460 0.025 0.000 1.138 83 Y HN 0.202 nan 8.280 nan 0.000 0.522 84 G N 1.275 110.165 108.800 0.150 0.000 2.179 84 G HA2 -0.324 3.636 3.960 0.001 0.000 0.260 84 G HA3 -0.324 3.636 3.960 0.001 0.000 0.260 84 G C -0.032 174.994 174.900 0.210 0.000 0.977 84 G CA 0.238 45.442 45.100 0.172 0.000 0.641 84 G HN 0.453 nan 8.290 nan 0.000 0.533 85 N N 0.603 119.382 118.700 0.131 0.000 2.444 85 N HA 0.529 5.270 4.740 0.001 0.000 0.255 85 N C 0.140 175.568 175.510 -0.136 0.000 1.255 85 N CA 0.766 53.828 53.050 0.019 0.000 0.933 85 N CB 1.366 39.860 38.487 0.011 0.000 1.143 85 N HN 0.967 nan 8.380 nan 0.000 0.453 86 S N -0.736 114.791 115.700 -0.289 0.000 2.685 86 S HA 0.747 5.218 4.470 0.001 0.000 0.282 86 S C -0.894 173.509 174.600 -0.328 0.000 1.159 86 S CA -0.860 57.006 58.200 -0.556 0.000 0.833 86 S CB 1.572 64.003 63.200 -1.281 0.000 1.151 86 S HN 0.633 nan 8.310 nan 0.000 0.485 87 S N -0.141 115.373 115.700 -0.310 0.000 2.588 87 S HA 0.616 5.087 4.470 0.001 0.000 0.275 87 S C -0.997 173.515 174.600 -0.148 0.000 1.130 87 S CA -0.720 57.376 58.200 -0.173 0.000 0.855 87 S CB 1.650 64.789 63.200 -0.102 0.000 1.116 87 S HN 0.745 nan 8.310 nan 0.000 0.472 88 V N 3.081 122.936 119.914 -0.099 0.000 2.470 88 V HA 0.175 4.296 4.120 0.001 0.000 0.276 88 V C 0.512 176.594 176.094 -0.020 0.000 1.040 88 V CA 0.263 62.525 62.300 -0.063 0.000 1.008 88 V CB 0.086 31.862 31.823 -0.078 0.000 0.990 88 V HN 0.942 nan 8.190 nan 0.000 0.477 89 F N 5.415 125.292 119.950 -0.121 0.000 2.220 89 F HA 0.363 4.891 4.527 0.001 0.000 0.290 89 F C 0.466 176.206 175.800 -0.100 0.000 1.080 89 F CA 0.783 58.722 58.000 -0.101 0.000 1.318 89 F CB 0.550 39.498 39.000 -0.088 0.000 1.063 89 F HN 0.374 nan 8.300 nan 0.000 0.498 90 L N 1.290 122.496 121.223 -0.028 0.000 2.516 90 L HA 0.313 4.653 4.340 0.001 0.000 0.267 90 L C -0.917 175.876 176.870 -0.128 0.000 0.957 90 L CA -0.614 54.139 54.840 -0.144 0.000 0.860 90 L CB 1.682 43.693 42.059 -0.080 0.000 1.265 90 L HN -0.015 nan 8.230 nan 0.000 0.403 91 E N 2.421 122.515 120.200 -0.176 0.000 2.392 91 E HA 0.060 4.410 4.350 0.001 0.000 0.264 91 E C 0.542 177.040 176.600 -0.170 0.000 1.024 91 E CA 0.004 56.310 56.400 -0.156 0.000 0.903 91 E CB 0.769 30.373 29.700 -0.160 0.000 0.963 91 E HN 0.643 nan 8.360 nan 0.000 0.432 92 N N 1.500 120.130 118.700 -0.116 0.000 2.289 92 N HA -0.203 4.538 4.740 0.001 0.000 0.184 92 N C 1.391 176.841 175.510 -0.099 0.000 1.016 92 N CA 1.662 54.660 53.050 -0.087 0.000 0.872 92 N CB -0.361 38.091 38.487 -0.059 0.000 0.973 92 N HN 0.363 nan 8.380 nan 0.000 0.433 93 S N -1.109 114.513 115.700 -0.130 0.000 2.489 93 S HA -0.012 4.459 4.470 0.001 0.000 0.228 93 S C 1.648 176.119 174.600 -0.216 0.000 0.995 93 S CA 0.736 58.858 58.200 -0.130 0.000 0.934 93 S CB -0.928 62.207 63.200 -0.108 0.000 0.771 93 S HN 0.272 nan 8.310 nan 0.000 0.522 94 T N 1.882 116.206 114.554 -0.384 0.000 2.685 94 T HA -0.084 4.266 4.350 0.001 0.000 0.268 94 T C 0.374 174.596 174.700 -0.797 0.000 1.034 94 T CA 1.515 63.196 62.100 -0.699 0.000 1.149 94 T CB -0.533 67.665 68.868 -1.117 0.000 0.860 94 T HN 0.601 nan 8.240 nan 0.000 0.449 95 F N 0.992 120.827 119.950 -0.193 0.000 2.837 95 F HA 0.354 4.882 4.527 0.001 0.000 0.298 95 F C 1.235 177.019 175.800 -0.027 0.000 1.161 95 F CA -1.202 56.718 58.000 -0.134 0.000 1.353 95 F CB -0.226 38.602 39.000 -0.287 0.000 0.951 95 F HN -0.060 nan 8.300 nan 0.000 0.508 96 D N 0.859 121.285 120.400 0.044 0.000 2.123 96 D HA -0.172 4.469 4.640 0.001 0.000 0.196 96 D C 1.403 177.737 176.300 0.057 0.000 0.992 96 D CA 1.513 55.535 54.000 0.036 0.000 0.833 96 D CB 0.129 40.921 40.800 -0.013 0.000 0.954 96 D HN 0.308 nan 8.370 nan 0.000 0.455 97 E N -0.971 119.269 120.200 0.067 0.000 2.437 97 E HA 0.091 4.442 4.350 0.001 0.000 0.195 97 E C 0.836 177.472 176.600 0.060 0.000 1.029 97 E CA -0.368 56.055 56.400 0.039 0.000 0.948 97 E CB -0.194 29.514 29.700 0.013 0.000 1.082 97 E HN 0.128 nan 8.360 nan 0.000 0.456 98 F N 0.420 120.356 119.950 -0.024 0.000 2.171 98 F HA -0.061 4.466 4.527 0.001 0.000 0.300 98 F C 1.860 177.523 175.800 -0.229 0.000 1.090 98 F CA 2.050 60.019 58.000 -0.052 0.000 1.293 98 F CB 0.040 39.032 39.000 -0.013 0.000 1.013 98 F HN 0.195 nan 8.300 nan 0.000 0.486 99 G N -1.610 106.982 108.800 -0.347 0.000 2.254 99 G HA2 -0.215 3.746 3.960 0.001 0.000 0.225 99 G HA3 -0.215 3.746 3.960 0.001 0.000 0.225 99 G C 0.164 174.604 174.900 -0.766 0.000 1.003 99 G CA 0.202 44.932 45.100 -0.617 0.000 0.622 99 G HN 0.556 nan 8.290 nan 0.000 0.507 100 H N 0.145 119.039 119.070 -0.294 0.000 2.690 100 H HA 0.639 5.196 4.556 0.001 0.000 0.368 100 H C -0.349 175.019 175.328 0.066 0.000 1.150 100 H CA -0.042 55.907 56.048 -0.166 0.000 1.174 100 H CB 1.666 31.134 29.762 -0.490 0.000 1.684 100 H HN 0.154 nan 8.280 nan 0.000 0.538 101 S N 2.269 118.076 115.700 0.179 0.000 2.481 101 S HA 0.161 4.632 4.470 0.001 0.000 0.282 101 S C 0.309 175.005 174.600 0.161 0.000 1.243 101 S CA -0.643 57.639 58.200 0.136 0.000 1.078 101 S CB -0.792 62.464 63.200 0.093 0.000 0.916 101 S HN 0.353 nan 8.310 nan 0.000 0.495 102 I N 5.656 126.284 120.570 0.095 0.000 2.396 102 I HA 0.167 4.338 4.170 0.001 0.000 0.289 102 I C 1.415 177.548 176.117 0.027 0.000 1.056 102 I CA -0.345 60.984 61.300 0.048 0.000 1.365 102 I CB 0.940 38.861 38.000 -0.132 0.000 1.407 102 I HN 0.693 nan 8.210 nan 0.000 0.509 103 N N 3.592 122.308 118.700 0.027 0.000 2.173 103 N HA -0.066 4.674 4.740 0.001 0.000 0.184 103 N C 0.083 175.556 175.510 -0.062 0.000 1.025 103 N CA 1.273 54.288 53.050 -0.058 0.000 0.852 103 N CB 0.376 38.798 38.487 -0.108 0.000 0.998 103 N HN 0.673 nan 8.380 nan 0.000 0.427 104 D N -2.847 117.547 120.400 -0.010 0.000 2.643 104 D HA 0.215 4.856 4.640 0.001 0.000 0.283 104 D C -1.653 174.710 176.300 0.106 0.000 1.242 104 D CA -0.523 53.481 54.000 0.008 0.000 0.863 104 D CB 0.992 41.767 40.800 -0.041 0.000 1.382 104 D HN 0.105 nan 8.370 nan 0.000 0.444 105 Y N -1.427 118.900 120.300 0.046 0.000 2.588 105 Y HA 0.733 5.283 4.550 0.001 0.000 0.343 105 Y C -1.267 174.722 175.900 0.148 0.000 1.065 105 Y CA -0.899 57.248 58.100 0.078 0.000 1.038 105 Y CB 1.846 40.335 38.460 0.047 0.000 1.297 105 Y HN 0.139 nan 8.280 nan 0.000 0.467 106 S N 2.887 118.819 115.700 0.387 0.000 2.750 106 S HA 0.560 5.030 4.470 0.001 0.000 0.276 106 S C -1.439 173.528 174.600 0.612 0.000 1.165 106 S CA -0.508 57.924 58.200 0.386 0.000 1.047 106 S CB 0.218 63.614 63.200 0.327 0.000 1.056 106 S HN 0.682 nan 8.310 nan 0.000 0.481 107 I N 4.422 125.256 120.570 0.440 0.000 2.395 107 I HA 0.254 4.424 4.170 0.001 0.000 0.289 107 I C 0.977 176.993 176.117 -0.168 0.000 1.023 107 I CA -0.183 61.264 61.300 0.245 0.000 1.350 107 I CB 1.582 39.697 38.000 0.192 0.000 1.409 107 I HN 0.747 nan 8.210 nan 0.000 0.507 108 S N 6.107 121.405 115.700 -0.671 0.000 2.568 108 S HA 0.143 4.614 4.470 0.001 0.000 0.282 108 S C -1.800 172.501 174.600 -0.498 0.000 1.338 108 S CA -0.925 56.450 58.200 -1.376 0.000 1.045 108 S CB 0.583 62.839 63.200 -1.573 0.000 0.873 108 S HN 0.423 nan 8.310 nan 0.000 0.516 109 P HA -0.138 nan 4.420 nan 0.000 0.217 109 P C 0.833 178.088 177.300 -0.075 0.000 1.148 109 P CA 1.547 64.571 63.100 -0.126 0.000 0.828 109 P CB -0.155 31.496 31.700 -0.081 0.000 0.783 110 D N -2.028 118.324 120.400 -0.079 0.000 2.355 110 D HA 0.052 4.693 4.640 0.001 0.000 0.218 110 D C 1.472 177.772 176.300 -0.000 0.000 1.004 110 D CA 0.820 54.813 54.000 -0.010 0.000 0.880 110 D CB -1.045 39.780 40.800 0.042 0.000 0.911 110 D HN 0.229 nan 8.370 nan 0.000 0.528 111 G N 0.253 109.042 108.800 -0.018 0.000 2.179 111 G HA2 -0.391 3.569 3.960 0.001 0.000 0.260 111 G HA3 -0.391 3.569 3.960 0.001 0.000 0.260 111 G C 1.007 175.920 174.900 0.022 0.000 0.977 111 G CA 0.491 45.649 45.100 0.095 0.000 0.641 111 G HN 0.464 nan 8.290 nan 0.000 0.533 112 Q N -1.353 118.351 119.800 -0.160 0.000 2.331 112 Q HA 0.339 4.680 4.340 0.001 0.000 0.203 112 Q C 0.200 175.728 176.000 -0.787 0.000 0.944 112 Q CA 0.713 56.208 55.803 -0.513 0.000 0.892 112 Q CB 0.313 28.628 28.738 -0.705 0.000 0.983 112 Q HN 0.573 nan 8.270 nan 0.000 0.482 113 F N -0.461 119.445 119.950 -0.074 0.000 2.588 113 F HA 0.494 5.022 4.527 0.001 0.000 0.310 113 F C -0.591 175.321 175.800 0.186 0.000 1.082 113 F CA -1.179 56.851 58.000 0.050 0.000 0.929 113 F CB 1.727 40.778 39.000 0.086 0.000 1.254 113 F HN -0.198 nan 8.300 nan 0.000 0.455 114 I N 3.282 124.195 120.570 0.571 0.000 2.465 114 I HA 0.483 4.654 4.170 0.001 0.000 0.291 114 I C -1.689 174.766 176.117 0.563 0.000 1.014 114 I CA -1.098 60.532 61.300 0.551 0.000 1.093 114 I CB 1.467 39.734 38.000 0.445 0.000 1.267 114 I HN 0.534 nan 8.210 nan 0.000 0.431 115 L N 8.393 129.974 121.223 0.596 0.000 2.265 115 L HA 0.431 4.772 4.340 0.001 0.000 0.288 115 L C -1.319 175.712 176.870 0.269 0.000 1.058 115 L CA -0.143 54.916 54.840 0.366 0.000 0.809 115 L CB 1.000 43.183 42.059 0.207 0.000 1.179 115 L HN 0.466 nan 8.230 nan 0.000 0.429 116 L N 5.291 126.618 121.223 0.173 0.000 2.265 116 L HA 0.456 4.796 4.340 0.001 0.000 0.289 116 L C 0.019 176.980 176.870 0.151 0.000 1.033 116 L CA 0.050 54.908 54.840 0.030 0.000 0.814 116 L CB 1.174 43.047 42.059 -0.309 0.000 1.203 116 L HN 0.639 nan 8.230 nan 0.000 0.423 117 E N 3.970 124.224 120.200 0.090 0.000 2.175 117 E HA 0.521 4.872 4.350 0.001 0.000 0.278 117 E C -1.530 175.069 176.600 -0.002 0.000 0.969 117 E CA -0.413 55.914 56.400 -0.123 0.000 0.796 117 E CB 1.062 30.767 29.700 0.008 0.000 1.104 117 E HN 0.472 nan 8.360 nan 0.000 0.395 118 Y N 1.434 121.581 120.300 -0.256 0.000 2.764 118 Y HA 0.381 4.932 4.550 0.001 0.000 0.331 118 Y C -0.370 175.445 175.900 -0.142 0.000 1.280 118 Y CA -1.440 56.592 58.100 -0.114 0.000 1.065 118 Y CB 0.462 38.926 38.460 0.007 0.000 1.319 118 Y HN 0.503 nan 8.280 nan 0.000 0.453 119 N N -0.171 118.568 118.700 0.064 0.000 2.727 119 N HA -0.308 4.433 4.740 0.001 0.000 0.249 119 N C -0.948 174.539 175.510 -0.037 0.000 1.048 119 N CA 1.108 54.143 53.050 -0.025 0.000 0.714 119 N CB -1.558 36.833 38.487 -0.160 0.000 0.959 119 N HN 0.861 nan 8.380 nan 0.000 0.544 120 Y N 0.080 120.317 120.300 -0.105 0.000 2.620 120 Y HA 0.258 4.809 4.550 0.001 0.000 0.330 120 Y C 0.079 175.946 175.900 -0.054 0.000 1.186 120 Y CA 0.021 58.056 58.100 -0.108 0.000 1.467 120 Y CB 0.708 39.057 38.460 -0.183 0.000 1.262 120 Y HN -0.006 nan 8.280 nan 0.000 0.550 121 V N 7.974 127.548 119.914 -0.566 0.000 2.488 121 V HA 0.185 4.306 4.120 0.001 0.000 0.293 121 V C -0.321 175.398 176.094 -0.624 0.000 1.027 121 V CA -1.441 60.596 62.300 -0.439 0.000 0.862 121 V CB 1.297 32.997 31.823 -0.206 0.000 1.008 121 V HN 0.761 nan 8.190 nan 0.000 0.428 122 K N 3.565 123.603 120.400 -0.603 0.000 2.436 122 K HA 0.157 4.478 4.320 0.001 0.000 0.275 122 K C 0.445 176.885 176.600 -0.267 0.000 0.999 122 K CA 0.360 56.444 56.287 -0.338 0.000 0.980 122 K CB 1.079 33.573 32.500 -0.010 0.000 0.919 122 K HN 0.822 nan 8.250 nan 0.000 0.484 123 Q N 2.896 122.519 119.800 -0.294 0.000 2.729 123 Q HA 0.163 4.504 4.340 0.001 0.000 0.228 123 Q C 0.021 175.789 176.000 -0.387 0.000 1.021 123 Q CA -0.332 55.110 55.803 -0.601 0.000 0.561 123 Q CB 0.095 28.297 28.738 -0.892 0.000 3.921 123 Q HN 0.723 nan 8.270 nan 0.000 0.430 124 W N 0.120 121.407 121.300 -0.022 0.000 1.756 124 W HA 0.371 5.032 4.660 0.001 0.000 0.638 124 W C 1.857 178.352 176.519 -0.041 0.000 1.472 124 W CA -0.704 56.650 57.345 0.016 0.000 1.437 124 W CB -0.185 29.242 29.460 -0.055 0.000 3.368 124 W HN 0.270 nan 8.180 nan 0.000 0.771 125 R N -0.572 119.994 120.500 0.111 0.000 2.092 125 R HA -0.136 4.205 4.340 0.001 0.000 0.231 125 R C 1.730 177.856 176.300 -0.291 0.000 1.119 125 R CA 1.734 57.733 56.100 -0.169 0.000 0.970 125 R CB -0.374 29.676 30.300 -0.417 0.000 0.864 125 R HN 0.503 nan 8.270 nan 0.000 0.440 126 H N -1.227 117.911 119.070 0.113 0.000 2.695 126 H HA 0.160 4.716 4.556 0.001 0.000 0.267 126 H C 0.644 176.053 175.328 0.135 0.000 0.973 126 H CA 0.456 56.590 56.048 0.144 0.000 1.223 126 H CB 0.202 30.022 29.762 0.098 0.000 1.442 126 H HN 0.132 nan 8.280 nan 0.000 0.478 127 S N 1.423 117.116 115.700 -0.012 0.000 2.585 127 S HA 0.364 4.835 4.470 0.001 0.000 0.273 127 S C -0.288 174.202 174.600 -0.183 0.000 1.339 127 S CA -0.486 57.426 58.200 -0.481 0.000 1.028 127 S CB 0.611 62.951 63.200 -1.433 0.000 0.906 127 S HN 0.456 nan 8.310 nan 0.000 0.528 128 Y N -2.205 117.969 120.300 -0.210 0.000 2.702 128 Y HA 0.674 5.225 4.550 0.001 0.000 0.336 128 Y C -0.711 175.170 175.900 -0.032 0.000 1.203 128 Y CA -0.894 57.071 58.100 -0.224 0.000 1.072 128 Y CB 0.557 38.834 38.460 -0.304 0.000 1.327 128 Y HN 0.881 nan 8.280 nan 0.000 0.456 129 T N -0.078 114.528 114.554 0.086 0.000 2.942 129 T HA 1.010 5.361 4.350 0.001 0.000 0.289 129 T C -0.522 174.264 174.700 0.144 0.000 1.044 129 T CA -0.140 62.034 62.100 0.125 0.000 1.023 129 T CB 1.745 70.646 68.868 0.055 0.000 1.123 129 T HN 1.841 nan 8.240 nan 0.000 0.512 130 A N 0.886 123.759 122.820 0.089 0.000 2.599 130 A HA 0.775 5.095 4.320 0.001 0.000 0.290 130 A C -0.461 176.880 177.584 -0.404 0.000 1.101 130 A CA -0.967 50.963 52.037 -0.179 0.000 0.674 130 A CB 1.178 20.037 19.000 -0.236 0.000 1.277 130 A HN 0.873 nan 8.150 nan 0.000 0.419 131 S N -0.693 114.547 115.700 -0.766 0.000 2.654 131 S HA 0.787 5.257 4.470 0.001 0.000 0.283 131 S C -1.425 172.427 174.600 -1.246 0.000 1.180 131 S CA -0.040 57.610 58.200 -0.917 0.000 1.021 131 S CB 0.600 63.085 63.200 -1.192 0.000 1.018 131 S HN 0.450 nan 8.310 nan 0.000 0.532 132 Y N 0.024 120.051 120.300 -0.456 0.000 2.492 132 Y HA 0.448 4.998 4.550 0.001 0.000 0.346 132 Y C -0.227 175.683 175.900 0.016 0.000 0.997 132 Y CA -0.891 57.093 58.100 -0.193 0.000 1.025 132 Y CB 1.764 40.078 38.460 -0.244 0.000 1.263 132 Y HN 0.517 nan 8.280 nan 0.000 0.454 133 D N 2.509 123.114 120.400 0.342 0.000 2.433 133 D HA 0.577 5.218 4.640 0.001 0.000 0.236 133 D C -0.966 175.465 176.300 0.219 0.000 1.026 133 D CA -0.371 53.807 54.000 0.297 0.000 0.884 133 D CB 2.833 43.914 40.800 0.468 0.000 1.384 133 D HN 0.399 nan 8.370 nan 0.000 0.477 134 I N 1.617 122.308 120.570 0.202 0.000 2.406 134 I HA 0.236 4.407 4.170 0.001 0.000 0.290 134 I C -0.971 175.362 176.117 0.361 0.000 0.999 134 I CA -0.937 60.515 61.300 0.253 0.000 1.124 134 I CB 1.531 39.614 38.000 0.138 0.000 1.289 134 I HN 0.224 nan 8.210 nan 0.000 0.441 135 Y N 5.547 126.029 120.300 0.304 0.000 2.331 135 Y HA 0.300 4.851 4.550 0.001 0.000 0.338 135 Y C -0.104 176.011 175.900 0.359 0.000 0.992 135 Y CA -0.623 57.668 58.100 0.319 0.000 1.121 135 Y CB 1.156 39.846 38.460 0.383 0.000 1.184 135 Y HN 0.490 nan 8.280 nan 0.000 0.469 136 D N 6.264 126.590 120.400 -0.123 0.000 2.336 136 D HA 0.073 4.713 4.640 0.001 0.000 0.249 136 D C 0.644 176.653 176.300 -0.485 0.000 1.213 136 D CA 0.359 54.246 54.000 -0.188 0.000 0.870 136 D CB 0.984 41.714 40.800 -0.118 0.000 1.076 136 D HN 0.877 nan 8.370 nan 0.000 0.483 137 L N 3.702 124.736 121.223 -0.315 0.000 2.291 137 L HA -0.081 4.259 4.340 0.001 0.000 0.214 137 L C 1.989 178.704 176.870 -0.259 0.000 1.120 137 L CA 0.429 55.149 54.840 -0.200 0.000 0.799 137 L CB -0.121 41.839 42.059 -0.166 0.000 0.925 137 L HN 0.356 nan 8.230 nan 0.000 0.446 138 N N 0.643 119.156 118.700 -0.312 0.000 2.278 138 N HA -0.091 4.650 4.740 0.001 0.000 0.181 138 N C 1.501 176.892 175.510 -0.198 0.000 1.023 138 N CA 0.909 53.816 53.050 -0.239 0.000 0.862 138 N CB -0.004 38.340 38.487 -0.238 0.000 1.003 138 N HN 0.432 nan 8.380 nan 0.000 0.431 139 K N 1.071 121.341 120.400 -0.216 0.000 2.417 139 K HA 0.183 4.504 4.320 0.001 0.000 0.196 139 K C -0.284 176.194 176.600 -0.203 0.000 1.023 139 K CA -0.158 56.028 56.287 -0.168 0.000 1.122 139 K CB 0.435 32.861 32.500 -0.124 0.000 0.850 139 K HN -0.210 nan 8.250 nan 0.000 0.521 140 R N 1.000 121.322 120.500 -0.297 0.000 3.416 140 R HA -0.171 4.170 4.340 0.001 0.000 0.263 140 R C -1.023 175.064 176.300 -0.355 0.000 1.053 140 R CA 0.859 56.782 56.100 -0.295 0.000 0.705 140 R CB -2.593 27.661 30.300 -0.075 0.000 1.124 140 R HN 0.662 nan 8.270 nan 0.000 0.444 141 Q N -0.437 118.988 119.800 -0.624 0.000 2.379 141 Q HA 0.484 4.825 4.340 0.001 0.000 0.278 141 Q C -0.254 175.599 176.000 -0.244 0.000 1.068 141 Q CA -1.024 54.614 55.803 -0.274 0.000 0.816 141 Q CB 2.280 30.961 28.738 -0.095 0.000 1.387 141 Q HN 0.148 nan 8.270 nan 0.000 0.413 142 L N 2.469 123.793 121.223 0.168 0.000 2.453 142 L HA 0.145 4.486 4.340 0.001 0.000 0.272 142 L C -0.198 176.761 176.870 0.149 0.000 1.182 142 L CA -0.077 54.937 54.840 0.290 0.000 0.858 142 L CB 0.207 42.493 42.059 0.379 0.000 1.120 142 L HN 0.488 nan 8.230 nan 0.000 0.474 143 I N 2.403 123.060 120.570 0.146 0.000 2.471 143 I HA -0.019 4.151 4.170 0.001 0.000 0.286 143 I C 1.310 177.473 176.117 0.076 0.000 1.079 143 I CA 0.556 61.908 61.300 0.086 0.000 1.398 143 I CB 1.306 39.341 38.000 0.058 0.000 1.403 143 I HN 0.689 nan 8.210 nan 0.000 0.530 144 T N 0.953 115.535 114.554 0.047 0.000 3.001 144 T HA 0.255 4.606 4.350 0.001 0.000 0.251 144 T C 0.521 175.221 174.700 -0.000 0.000 1.040 144 T CA -0.295 61.824 62.100 0.032 0.000 0.985 144 T CB 0.056 68.943 68.868 0.032 0.000 1.011 144 T HN 0.349 nan 8.240 nan 0.000 0.509 145 E N 2.490 122.685 120.200 -0.008 0.000 2.249 145 E HA 0.246 4.597 4.350 0.001 0.000 0.280 145 E C -0.006 176.562 176.600 -0.052 0.000 1.016 145 E CA -0.271 56.112 56.400 -0.028 0.000 0.830 145 E CB 0.565 30.253 29.700 -0.021 0.000 1.081 145 E HN 0.264 nan 8.360 nan 0.000 0.395 146 E N 1.019 121.175 120.200 -0.073 0.000 2.252 146 E HA -0.246 4.105 4.350 0.001 0.000 0.218 146 E C -0.464 176.053 176.600 -0.138 0.000 1.253 146 E CA 0.623 56.960 56.400 -0.106 0.000 0.705 146 E CB -1.336 28.308 29.700 -0.092 0.000 1.172 146 E HN 0.448 nan 8.360 nan 0.000 0.369 147 R N -0.152 120.260 120.500 -0.146 0.000 2.694 147 R HA 0.297 4.638 4.340 0.001 0.000 0.268 147 R C 1.138 177.251 176.300 -0.310 0.000 1.061 147 R CA -0.366 55.630 56.100 -0.173 0.000 1.133 147 R CB 0.456 30.687 30.300 -0.115 0.000 1.020 147 R HN 0.152 nan 8.270 nan 0.000 0.475 148 I N 4.947 125.285 120.570 -0.386 0.000 2.683 148 I HA -0.014 4.156 4.170 0.001 0.000 0.286 148 I C -1.458 174.332 176.117 -0.545 0.000 1.175 148 I CA -1.196 59.703 61.300 -0.668 0.000 1.429 148 I CB 0.168 37.764 38.000 -0.674 0.000 1.371 148 I HN 0.370 nan 8.210 nan 0.000 0.569 149 P HA 0.047 nan 4.420 nan 0.000 0.271 149 P C -0.847 176.225 177.300 -0.380 0.000 1.233 149 P CA -0.333 62.362 63.100 -0.675 0.000 0.789 149 P CB 0.453 31.309 31.700 -1.407 0.000 0.951 150 N N 1.643 120.209 118.700 -0.223 0.000 2.444 150 N HA 0.005 4.745 4.740 0.001 0.000 0.255 150 N C 0.655 176.223 175.510 0.096 0.000 1.255 150 N CA 0.110 53.102 53.050 -0.097 0.000 0.933 150 N CB -0.319 38.125 38.487 -0.072 0.000 1.143 150 N HN 0.440 nan 8.380 nan 0.000 0.453 151 N N -1.125 117.616 118.700 0.069 0.000 2.725 151 N HA -0.157 4.584 4.740 0.001 0.000 0.249 151 N C -0.795 174.893 175.510 0.297 0.000 1.103 151 N CA 0.707 53.846 53.050 0.148 0.000 0.707 151 N CB -1.783 36.791 38.487 0.145 0.000 1.043 151 N HN 0.489 nan 8.380 nan 0.000 0.553 152 T N 0.896 115.616 114.554 0.277 0.000 2.888 152 T HA 0.079 4.430 4.350 0.001 0.000 0.301 152 T C 1.718 176.578 174.700 0.267 0.000 1.001 152 T CA 0.170 62.459 62.100 0.316 0.000 1.147 152 T CB 1.189 70.163 68.868 0.176 0.000 0.931 152 T HN 0.198 nan 8.240 nan 0.000 0.541 153 Q N 1.760 121.704 119.800 0.240 0.000 2.297 153 Q HA 0.161 4.502 4.340 0.001 0.000 0.203 153 Q C 0.168 176.305 176.000 0.229 0.000 0.931 153 Q CA 0.396 56.338 55.803 0.232 0.000 0.885 153 Q CB 0.802 29.617 28.738 0.129 0.000 0.991 153 Q HN 0.715 nan 8.270 nan 0.000 0.498 154 W N -0.143 121.102 121.300 -0.092 0.000 3.479 154 W HA 0.528 5.189 4.660 0.001 0.000 0.304 154 W C -2.267 174.163 176.519 -0.148 0.000 1.243 154 W CA -0.755 56.493 57.345 -0.161 0.000 1.202 154 W CB 1.460 30.765 29.460 -0.258 0.000 1.346 154 W HN -0.284 nan 8.180 nan 0.000 0.539 155 V N 4.548 123.752 119.914 -1.184 0.000 2.888 155 V HA 0.776 4.897 4.120 0.001 0.000 0.309 155 V C -1.393 174.008 176.094 -1.155 0.000 1.114 155 V CA -0.118 61.590 62.300 -0.988 0.000 0.940 155 V CB 2.373 33.562 31.823 -1.055 0.000 1.021 155 V HN 0.563 nan 8.190 nan 0.000 0.426 156 T N 5.745 119.960 114.554 -0.565 0.000 3.105 156 T HA 0.467 4.818 4.350 0.001 0.000 0.321 156 T C -1.202 173.528 174.700 0.049 0.000 1.135 156 T CA -0.322 61.657 62.100 -0.202 0.000 1.053 156 T CB 0.688 69.665 68.868 0.181 0.000 1.133 156 T HN 0.681 nan 8.240 nan 0.000 0.463 157 W N 3.572 124.913 121.300 0.068 0.000 2.148 157 W HA 0.357 5.017 4.660 0.001 0.000 0.347 157 W C 1.368 177.785 176.519 -0.169 0.000 1.288 157 W CA -0.510 56.841 57.345 0.009 0.000 1.252 157 W CB 0.489 29.947 29.460 -0.004 0.000 1.156 157 W HN 0.791 nan 8.180 nan 0.000 0.580 158 S N 1.871 117.329 115.700 -0.403 0.000 2.576 158 S HA 0.063 4.533 4.470 0.001 0.000 0.272 158 S C -1.763 172.563 174.600 -0.457 0.000 1.352 158 S CA -0.921 56.483 58.200 -1.326 0.000 1.021 158 S CB 0.696 63.015 63.200 -1.468 0.000 0.887 158 S HN 0.308 nan 8.310 nan 0.000 0.542 159 P HA 0.164 nan 4.420 nan 0.000 0.229 159 P C -0.262 176.987 177.300 -0.085 0.000 1.160 159 P CA 0.413 63.464 63.100 -0.082 0.000 0.777 159 P CB 0.133 31.833 31.700 -0.000 0.000 0.814 160 V N -1.438 118.377 119.914 -0.165 0.000 2.789 160 V HA 0.658 4.778 4.120 0.001 0.000 0.311 160 V C 0.774 176.757 176.094 -0.184 0.000 1.073 160 V CA 0.183 62.406 62.300 -0.129 0.000 0.921 160 V CB 1.094 32.853 31.823 -0.106 0.000 1.009 160 V HN 0.417 nan 8.190 nan 0.000 0.426 161 G N 3.592 112.304 108.800 -0.147 0.000 2.514 161 G HA2 -0.203 3.758 3.960 0.001 0.000 0.265 161 G HA3 -0.203 3.758 3.960 0.001 0.000 0.265 161 G C 0.143 174.955 174.900 -0.147 0.000 1.150 161 G CA 0.614 45.591 45.100 -0.205 0.000 0.959 161 G HN 1.893 nan 8.290 nan 0.000 0.556 162 H N -0.644 118.420 119.070 -0.009 0.000 3.411 162 H HA 0.362 4.919 4.556 0.001 0.000 0.232 162 H C 0.137 175.641 175.328 0.292 0.000 1.322 162 H CA -0.087 56.023 56.048 0.103 0.000 1.077 162 H CB -0.463 29.379 29.762 0.133 0.000 2.741 162 H HN 0.549 nan 8.280 nan 0.000 0.596 163 K N 1.625 122.098 120.400 0.123 0.000 2.219 163 K HA 0.510 4.831 4.320 0.001 0.000 0.258 163 K C -0.402 176.348 176.600 0.250 0.000 1.008 163 K CA -0.405 55.961 56.287 0.132 0.000 0.928 163 K CB 1.600 34.047 32.500 -0.088 0.000 0.983 163 K HN 0.107 nan 8.250 nan 0.000 0.484 164 L N 1.010 122.384 121.223 0.253 0.000 2.381 164 L HA 0.538 4.878 4.340 0.001 0.000 0.268 164 L C -0.868 176.215 176.870 0.355 0.000 0.997 164 L CA -0.809 54.140 54.840 0.181 0.000 0.818 164 L CB 2.142 44.135 42.059 -0.111 0.000 1.310 164 L HN 0.686 nan 8.230 nan 0.000 0.416 165 A N 2.488 125.514 122.820 0.343 0.000 2.331 165 A HA 0.821 5.142 4.320 0.001 0.000 0.320 165 A C -1.457 176.133 177.584 0.011 0.000 1.138 165 A CA -0.372 51.705 52.037 0.067 0.000 0.790 165 A CB 0.890 19.781 19.000 -0.181 0.000 1.206 165 A HN 0.650 nan 8.150 nan 0.000 0.470 166 Y N -0.407 119.837 120.300 -0.092 0.000 2.581 166 Y HA 0.781 5.332 4.550 0.001 0.000 0.345 166 Y C -1.137 174.772 175.900 0.016 0.000 1.036 166 Y CA -1.614 56.414 58.100 -0.118 0.000 1.042 166 Y CB 1.219 39.547 38.460 -0.220 0.000 1.289 166 Y HN 0.365 nan 8.280 nan 0.000 0.471 167 V N 2.199 122.229 119.914 0.195 0.000 2.448 167 V HA 0.387 4.508 4.120 0.001 0.000 0.295 167 V C -1.490 174.813 176.094 0.349 0.000 1.025 167 V CA -0.623 61.770 62.300 0.154 0.000 0.859 167 V CB 1.328 33.156 31.823 0.007 0.000 0.988 167 V HN 0.886 nan 8.190 nan 0.000 0.431 168 W N 5.085 126.484 121.300 0.164 0.000 3.259 168 W HA 0.455 5.116 4.660 0.001 0.000 0.331 168 W C 0.204 176.784 176.519 0.101 0.000 1.144 168 W CA -0.690 56.735 57.345 0.133 0.000 1.227 168 W CB 1.249 30.785 29.460 0.126 0.000 1.371 168 W HN 0.769 nan 8.180 nan 0.000 0.491 169 N N 5.641 123.964 118.700 -0.628 0.000 2.727 169 N HA -0.360 4.381 4.740 0.001 0.000 0.249 169 N C 0.208 175.540 175.510 -0.296 0.000 1.048 169 N CA 1.065 53.753 53.050 -0.604 0.000 0.714 169 N CB -1.042 36.861 38.487 -0.974 0.000 0.959 169 N HN 0.837 nan 8.380 nan 0.000 0.544 170 N N -2.015 116.577 118.700 -0.181 0.000 2.863 170 N HA -0.170 4.571 4.740 0.001 0.000 0.245 170 N C -1.201 174.221 175.510 -0.147 0.000 1.001 170 N CA 1.157 54.120 53.050 -0.145 0.000 0.901 170 N CB -0.357 38.008 38.487 -0.203 0.000 1.124 170 N HN 0.439 nan 8.380 nan 0.000 0.582 171 D N 0.509 120.821 120.400 -0.147 0.000 2.340 171 D HA 0.507 5.148 4.640 0.001 0.000 0.240 171 D C 0.188 176.293 176.300 -0.325 0.000 1.001 171 D CA -0.348 53.485 54.000 -0.279 0.000 0.888 171 D CB 1.588 42.158 40.800 -0.384 0.000 1.310 171 D HN 0.031 nan 8.370 nan 0.000 0.474 172 I N 1.683 121.911 120.570 -0.570 0.000 2.385 172 I HA 0.243 4.413 4.170 0.001 0.000 0.294 172 I C -0.684 174.942 176.117 -0.817 0.000 0.988 172 I CA -0.471 60.478 61.300 -0.586 0.000 1.265 172 I CB 0.596 38.177 38.000 -0.698 0.000 1.388 172 I HN 0.160 nan 8.210 nan 0.000 0.480 173 Y N 4.135 124.052 120.300 -0.638 0.000 2.499 173 Y HA 0.639 5.190 4.550 0.001 0.000 0.347 173 Y C -0.343 175.221 175.900 -0.561 0.000 0.987 173 Y CA -0.944 56.744 58.100 -0.686 0.000 1.044 173 Y CB 2.068 39.863 38.460 -1.107 0.000 1.245 173 Y HN 0.108 nan 8.280 nan 0.000 0.461 174 V N 2.684 122.542 119.914 -0.094 0.000 2.588 174 V HA 0.448 4.569 4.120 0.001 0.000 0.304 174 V C -0.910 175.316 176.094 0.220 0.000 1.042 174 V CA -1.382 60.961 62.300 0.071 0.000 0.877 174 V CB 1.967 33.849 31.823 0.098 0.000 0.996 174 V HN 0.621 nan 8.190 nan 0.000 0.425 175 K N 4.542 125.078 120.400 0.227 0.000 2.307 175 K HA 0.499 4.820 4.320 0.001 0.000 0.263 175 K C 0.372 177.110 176.600 0.232 0.000 0.973 175 K CA -0.736 55.677 56.287 0.210 0.000 0.846 175 K CB 1.810 34.390 32.500 0.132 0.000 1.100 175 K HN 0.421 nan 8.250 nan 0.000 0.438 176 I N 1.332 122.060 120.570 0.263 0.000 2.353 176 I HA -0.079 4.091 4.170 0.001 0.000 0.248 176 I C 0.421 176.659 176.117 0.202 0.000 1.119 176 I CA 1.468 62.898 61.300 0.217 0.000 1.417 176 I CB -0.356 37.783 38.000 0.232 0.000 1.078 176 I HN 0.580 nan 8.210 nan 0.000 0.421 177 E N -0.082 120.217 120.200 0.166 0.000 2.293 177 E HA 0.276 4.627 4.350 0.001 0.000 0.270 177 E C -1.991 174.598 176.600 -0.018 0.000 0.879 177 E CA -1.831 54.640 56.400 0.118 0.000 0.756 177 E CB 1.918 31.686 29.700 0.113 0.000 1.208 177 E HN -0.153 nan 8.360 nan 0.000 0.428 178 P HA -0.155 nan 4.420 nan 0.000 0.219 178 P C 0.839 178.056 177.300 -0.140 0.000 1.146 178 P CA 1.242 64.191 63.100 -0.252 0.000 0.808 178 P CB 0.247 31.586 31.700 -0.601 0.000 0.779 179 N N -1.059 117.583 118.700 -0.095 0.000 2.336 179 N HA 0.007 4.747 4.740 0.001 0.000 0.189 179 N C 0.113 175.602 175.510 -0.035 0.000 1.113 179 N CA 0.220 53.243 53.050 -0.044 0.000 0.858 179 N CB -0.252 38.229 38.487 -0.010 0.000 0.970 179 N HN 0.179 nan 8.380 nan 0.000 0.471 180 L N 0.697 121.900 121.223 -0.032 0.000 2.352 180 L HA 0.513 4.854 4.340 0.001 0.000 0.269 180 L C -2.243 174.582 176.870 -0.073 0.000 1.034 180 L CA -2.270 52.549 54.840 -0.034 0.000 0.806 180 L CB 1.572 43.633 42.059 0.003 0.000 1.244 180 L HN -0.186 nan 8.230 nan 0.000 0.447 181 P HA 0.035 nan 4.420 nan 0.000 0.267 181 P C -0.895 176.264 177.300 -0.235 0.000 1.200 181 P CA -0.056 62.944 63.100 -0.167 0.000 0.772 181 P CB 0.525 32.111 31.700 -0.191 0.000 0.855 182 S N 1.436 117.048 115.700 -0.147 0.000 2.580 182 S HA 0.240 4.711 4.470 0.001 0.000 0.274 182 S C -0.423 174.077 174.600 -0.166 0.000 1.329 182 S CA -0.107 58.052 58.200 -0.069 0.000 1.036 182 S CB -0.148 63.090 63.200 0.064 0.000 0.919 182 S HN 0.245 nan 8.310 nan 0.000 0.515 183 Y N 1.212 121.543 120.300 0.052 0.000 2.341 183 Y HA 0.385 4.936 4.550 0.001 0.000 0.340 183 Y C 0.631 176.485 175.900 -0.076 0.000 0.997 183 Y CA -0.803 57.308 58.100 0.019 0.000 1.149 183 Y CB 0.568 39.035 38.460 0.011 0.000 1.171 183 Y HN 0.528 nan 8.280 nan 0.000 0.494 184 R N 3.392 123.875 120.500 -0.029 0.000 2.316 184 R HA 0.179 4.519 4.340 0.001 0.000 0.314 184 R C 0.027 176.075 176.300 -0.421 0.000 1.069 184 R CA 0.149 55.925 56.100 -0.541 0.000 0.959 184 R CB 0.091 29.879 30.300 -0.854 0.000 0.987 184 R HN 0.747 nan 8.270 nan 0.000 0.446 185 I N 2.481 122.715 120.570 -0.559 0.000 2.494 185 I HA -0.006 4.165 4.170 0.001 0.000 0.250 185 I C 0.918 176.825 176.117 -0.351 0.000 1.112 185 I CA 1.025 62.106 61.300 -0.365 0.000 1.438 185 I CB -0.916 36.824 38.000 -0.432 0.000 1.111 185 I HN 0.766 nan 8.210 nan 0.000 0.431 186 T N -3.951 110.261 114.554 -0.571 0.000 2.907 186 T HA 0.393 4.743 4.350 0.001 0.000 0.292 186 T C -0.610 173.799 174.700 -0.484 0.000 1.043 186 T CA -0.537 61.335 62.100 -0.380 0.000 1.003 186 T CB 1.942 70.565 68.868 -0.409 0.000 1.084 186 T HN 0.174 nan 8.240 nan 0.000 0.483 187 W N 0.385 121.566 121.300 -0.200 0.000 2.534 187 W HA 0.228 4.888 4.660 0.001 0.000 0.339 187 W C 1.931 178.388 176.519 -0.104 0.000 0.961 187 W CA -0.038 57.225 57.345 -0.137 0.000 1.545 187 W CB 0.359 29.761 29.460 -0.096 0.000 1.104 187 W HN 0.918 nan 8.180 nan 0.000 0.538 188 T N -2.707 111.885 114.554 0.062 0.000 3.086 188 T HA 0.277 4.627 4.350 0.001 0.000 0.250 188 T C 1.248 175.937 174.700 -0.017 0.000 1.074 188 T CA 0.175 62.295 62.100 0.033 0.000 0.988 188 T CB -0.178 68.707 68.868 0.029 0.000 0.988 188 T HN -0.001 nan 8.240 nan 0.000 0.530 189 G N 1.346 110.104 108.800 -0.070 0.000 2.265 189 G HA2 0.338 4.299 3.960 0.001 0.000 0.240 189 G HA3 0.338 4.299 3.960 0.001 0.000 0.240 189 G C -0.587 174.244 174.900 -0.114 0.000 1.270 189 G CA -0.345 44.688 45.100 -0.111 0.000 0.901 189 G HN 0.569 nan 8.290 nan 0.000 0.507 190 K N 1.934 122.246 120.400 -0.146 0.000 2.589 190 K HA 0.155 4.476 4.320 0.001 0.000 0.253 190 K C -0.222 176.254 176.600 -0.206 0.000 0.974 190 K CA -0.652 55.553 56.287 -0.138 0.000 0.835 190 K CB 1.536 33.991 32.500 -0.075 0.000 1.272 190 K HN 0.621 nan 8.250 nan 0.000 0.444 191 E N 3.080 123.167 120.200 -0.188 0.000 2.652 191 E HA -0.152 4.199 4.350 0.001 0.000 0.255 191 E C -0.564 175.940 176.600 -0.161 0.000 0.952 191 E CA 1.093 57.378 56.400 -0.190 0.000 0.947 191 E CB 0.270 29.898 29.700 -0.120 0.000 0.912 191 E HN 0.658 nan 8.360 nan 0.000 0.489 192 D N 2.254 122.533 120.400 -0.202 0.000 3.046 192 D HA -0.243 4.398 4.640 0.001 0.000 0.210 192 D C 0.476 176.808 176.300 0.054 0.000 1.124 192 D CA 1.573 55.579 54.000 0.011 0.000 0.986 192 D CB -0.972 39.878 40.800 0.083 0.000 1.118 192 D HN 0.506 nan 8.370 nan 0.000 0.416 193 I N -1.119 119.388 120.570 -0.106 0.000 3.620 193 I HA 0.081 4.252 4.170 0.001 0.000 0.255 193 I C 0.325 176.496 176.117 0.091 0.000 1.124 193 I CA -0.127 61.202 61.300 0.049 0.000 1.526 193 I CB 0.651 38.666 38.000 0.025 0.000 1.681 193 I HN -0.185 nan 8.210 nan 0.000 0.420 194 I N 1.742 122.282 120.570 -0.051 0.000 2.355 194 I HA 0.254 4.424 4.170 0.001 0.000 0.288 194 I C -1.425 174.660 176.117 -0.053 0.000 0.999 194 I CA -0.393 60.940 61.300 0.054 0.000 1.163 194 I CB 0.615 38.642 38.000 0.043 0.000 1.316 194 I HN 0.090 nan 8.210 nan 0.000 0.454 195 Y N 4.782 125.170 120.300 0.147 0.000 2.402 195 Y HA 0.364 4.915 4.550 0.001 0.000 0.332 195 Y C 0.450 176.411 175.900 0.102 0.000 0.960 195 Y CA -0.729 57.460 58.100 0.149 0.000 1.228 195 Y CB 0.803 39.435 38.460 0.287 0.000 1.120 195 Y HN 0.416 nan 8.280 nan 0.000 0.491 196 N N 2.394 121.153 118.700 0.098 0.000 2.437 196 N HA 0.308 5.049 4.740 0.001 0.000 0.259 196 N C 0.933 176.388 175.510 -0.092 0.000 0.983 196 N CA 0.509 53.553 53.050 -0.008 0.000 0.937 196 N CB 1.778 40.161 38.487 -0.173 0.000 1.122 196 N HN 0.983 nan 8.380 nan 0.000 0.499 197 G N 1.574 110.342 108.800 -0.054 0.000 2.184 197 G HA2 -0.261 3.700 3.960 0.001 0.000 0.264 197 G HA3 -0.261 3.700 3.960 0.001 0.000 0.264 197 G C 0.168 174.923 174.900 -0.243 0.000 0.975 197 G CA 0.783 45.776 45.100 -0.178 0.000 0.642 197 G HN 0.667 nan 8.290 nan 0.000 0.536 198 I N -1.811 118.683 120.570 -0.127 0.000 2.892 198 I HA 0.844 5.015 4.170 0.001 0.000 0.306 198 I C 0.332 176.494 176.117 0.074 0.000 1.078 198 I CA -0.634 60.511 61.300 -0.258 0.000 1.032 198 I CB 2.083 39.740 38.000 -0.572 0.000 1.229 198 I HN 0.157 nan 8.210 nan 0.000 0.435 199 T N -0.437 114.104 114.554 -0.021 0.000 2.918 199 T HA 0.381 4.731 4.350 0.001 0.000 0.283 199 T C -0.210 174.324 174.700 -0.277 0.000 1.001 199 T CA -0.703 61.252 62.100 -0.241 0.000 1.041 199 T CB 1.394 70.183 68.868 -0.132 0.000 1.028 199 T HN 0.760 nan 8.240 nan 0.000 0.511 200 D N 0.301 120.254 120.400 -0.745 0.000 2.447 200 D HA 0.019 4.660 4.640 0.001 0.000 0.265 200 D C 1.029 177.263 176.300 -0.110 0.000 1.250 200 D CA -1.073 52.497 54.000 -0.716 0.000 1.046 200 D CB 0.119 40.382 40.800 -0.894 0.000 1.095 200 D HN 0.716 nan 8.370 nan 0.000 0.555 201 W N 0.185 121.444 121.300 -0.068 0.000 2.302 201 W HA -0.261 4.399 4.660 0.001 0.000 0.320 201 W C 2.164 178.596 176.519 -0.144 0.000 1.241 201 W CA 2.669 59.966 57.345 -0.079 0.000 1.264 201 W CB -0.448 28.901 29.460 -0.185 0.000 1.154 201 W HN 0.197 nan 8.180 nan 0.000 0.483 202 V N -0.479 119.521 119.914 0.142 0.000 2.488 202 V HA -0.253 3.868 4.120 0.001 0.000 0.246 202 V C 1.821 177.779 176.094 -0.226 0.000 1.046 202 V CA 1.880 64.169 62.300 -0.019 0.000 1.053 202 V CB -0.704 31.101 31.823 -0.030 0.000 0.679 202 V HN 0.292 nan 8.190 nan 0.000 0.458 203 Y N 0.753 120.898 120.300 -0.257 0.000 2.293 203 Y HA -0.168 4.383 4.550 0.001 0.000 0.291 203 Y C 2.562 178.378 175.900 -0.140 0.000 1.137 203 Y CA 2.113 60.064 58.100 -0.248 0.000 1.202 203 Y CB -0.014 38.155 38.460 -0.485 0.000 0.990 203 Y HN 0.407 nan 8.280 nan 0.000 0.537 204 E N 0.444 120.624 120.200 -0.034 0.000 2.017 204 E HA -0.294 4.056 4.350 0.001 0.000 0.193 204 E C 2.062 178.630 176.600 -0.052 0.000 0.997 204 E CA 1.552 57.953 56.400 0.002 0.000 0.804 204 E CB -0.070 29.625 29.700 -0.008 0.000 0.757 204 E HN 0.380 nan 8.360 nan 0.000 0.448 205 E N 0.187 120.172 120.200 -0.358 0.000 2.072 205 E HA -0.182 4.169 4.350 0.001 0.000 0.191 205 E C 1.676 178.183 176.600 -0.155 0.000 0.985 205 E CA 1.684 57.857 56.400 -0.379 0.000 0.801 205 E CB 0.146 29.276 29.700 -0.949 0.000 0.750 205 E HN 0.257 nan 8.360 nan 0.000 0.452 206 E N -1.108 118.979 120.200 -0.188 0.000 2.413 206 E HA 0.112 4.462 4.350 0.001 0.000 0.203 206 E C 1.719 178.203 176.600 -0.193 0.000 0.957 206 E CA 0.392 56.715 56.400 -0.128 0.000 0.950 206 E CB 0.913 30.517 29.700 -0.161 0.000 0.957 206 E HN 0.193 nan 8.360 nan 0.000 0.497 207 V N -0.424 119.328 119.914 -0.271 0.000 2.870 207 V HA 0.060 4.181 4.120 0.001 0.000 0.232 207 V C 1.423 177.290 176.094 -0.379 0.000 1.161 207 V CA 0.674 62.714 62.300 -0.435 0.000 1.204 207 V CB -0.238 31.176 31.823 -0.681 0.000 1.003 207 V HN 0.014 nan 8.190 nan 0.000 0.499 208 F N 0.695 120.672 119.950 0.045 0.000 2.754 208 F HA 0.271 4.799 4.527 0.001 0.000 0.297 208 F C 1.555 177.323 175.800 -0.054 0.000 1.122 208 F CA 0.288 58.324 58.000 0.060 0.000 1.400 208 F CB -0.320 38.762 39.000 0.136 0.000 1.117 208 F HN 0.067 nan 8.300 nan 0.000 0.587 209 S N 0.561 116.276 115.700 0.025 0.000 3.549 209 S HA 0.015 4.485 4.470 0.001 0.000 0.366 209 S C 0.060 174.227 174.600 -0.722 0.000 1.012 209 S CA 0.408 58.471 58.200 -0.229 0.000 1.141 209 S CB -1.744 61.390 63.200 -0.110 0.000 0.910 209 S HN 0.668 nan 8.310 nan 0.000 0.471 210 A N -0.486 122.134 122.820 -0.333 0.000 2.597 210 A HA 0.677 4.998 4.320 0.001 0.000 0.292 210 A C -0.330 177.227 177.584 -0.045 0.000 1.057 210 A CA -0.520 51.357 52.037 -0.268 0.000 0.674 210 A CB 0.261 19.113 19.000 -0.247 0.000 1.278 210 A HN 0.317 nan 8.150 nan 0.000 0.416 211 Y N 1.241 121.385 120.300 -0.260 0.000 2.448 211 Y HA 0.218 4.769 4.550 0.001 0.000 0.289 211 Y C 1.562 177.171 175.900 -0.484 0.000 1.114 211 Y CA 0.924 58.875 58.100 -0.248 0.000 1.235 211 Y CB 0.047 38.406 38.460 -0.169 0.000 1.045 211 Y HN 0.689 nan 8.280 nan 0.000 0.554 212 S N 0.657 115.824 115.700 -0.888 0.000 2.549 212 S HA 0.436 4.907 4.470 0.001 0.000 0.283 212 S C 0.318 174.386 174.600 -0.887 0.000 1.320 212 S CA 0.186 57.625 58.200 -1.267 0.000 1.058 212 S CB 0.436 62.538 63.200 -1.829 0.000 0.882 212 S HN 0.404 nan 8.310 nan 0.000 0.498 213 A N 5.817 128.129 122.820 -0.846 0.000 2.959 213 A HA 0.501 4.822 4.320 0.001 0.000 0.280 213 A C -0.508 176.393 177.584 -1.138 0.000 0.953 213 A CA -0.504 50.938 52.037 -0.991 0.000 1.047 213 A CB -0.017 18.852 19.000 -0.218 0.000 1.147 213 A HN 0.727 nan 8.150 nan 0.000 0.489 214 L N 0.384 120.847 121.223 -1.267 0.000 2.346 214 L HA 0.606 4.947 4.340 0.001 0.000 0.276 214 L C -1.022 175.336 176.870 -0.854 0.000 1.006 214 L CA -0.591 53.796 54.840 -0.755 0.000 0.817 214 L CB 1.830 43.654 42.059 -0.391 0.000 1.272 214 L HN 0.463 nan 8.230 nan 0.000 0.421 215 W N 2.384 123.711 121.300 0.046 0.000 2.591 215 W HA 0.218 4.878 4.660 0.001 0.000 0.311 215 W C -1.102 175.632 176.519 0.359 0.000 1.003 215 W CA -1.095 56.403 57.345 0.255 0.000 1.332 215 W CB 1.123 30.787 29.460 0.339 0.000 1.272 215 W HN 0.509 nan 8.180 nan 0.000 0.412 216 W N 2.644 124.149 121.300 0.341 0.000 2.223 216 W HA 0.155 4.815 4.660 0.001 0.000 0.334 216 W C 1.431 177.768 176.519 -0.303 0.000 1.334 216 W CA 0.464 57.869 57.345 0.100 0.000 1.246 216 W CB 0.688 30.183 29.460 0.058 0.000 1.184 216 W HN 0.198 nan 8.180 nan 0.000 0.563 217 S N 2.989 118.369 115.700 -0.534 0.000 2.584 217 S HA 0.115 4.586 4.470 0.001 0.000 0.270 217 S C -1.683 172.663 174.600 -0.423 0.000 1.346 217 S CA -0.971 56.419 58.200 -1.349 0.000 1.018 217 S CB 1.020 63.419 63.200 -1.335 0.000 0.899 217 S HN 0.304 nan 8.310 nan 0.000 0.542 218 P HA -0.140 nan 4.420 nan 0.000 0.216 218 P C 0.773 178.037 177.300 -0.061 0.000 1.150 218 P CA 1.551 64.614 63.100 -0.062 0.000 0.843 218 P CB -0.197 31.515 31.700 0.019 0.000 0.787 219 N N -2.144 116.503 118.700 -0.088 0.000 2.235 219 N HA 0.150 4.890 4.740 0.001 0.000 0.209 219 N C 1.058 176.478 175.510 -0.149 0.000 1.122 219 N CA 0.375 53.368 53.050 -0.095 0.000 0.845 219 N CB -0.725 37.723 38.487 -0.064 0.000 1.004 219 N HN 0.136 nan 8.380 nan 0.000 0.499 220 G N -0.833 107.877 108.800 -0.150 0.000 2.162 220 G HA2 -0.349 3.612 3.960 0.001 0.000 0.260 220 G HA3 -0.349 3.612 3.960 0.001 0.000 0.260 220 G C 0.942 175.841 174.900 -0.000 0.000 0.976 220 G CA 0.829 45.827 45.100 -0.169 0.000 0.655 220 G HN 0.375 nan 8.290 nan 0.000 0.533 221 T N -0.053 114.444 114.554 -0.095 0.000 2.701 221 T HA 0.174 4.525 4.350 0.001 0.000 0.263 221 T C 0.896 175.454 174.700 -0.237 0.000 1.040 221 T CA 1.349 63.299 62.100 -0.249 0.000 1.147 221 T CB -0.093 68.493 68.868 -0.471 0.000 0.865 221 T HN 0.296 nan 8.240 nan 0.000 0.426 222 F N 0.340 120.327 119.950 0.062 0.000 2.425 222 F HA 0.613 5.140 4.527 0.001 0.000 0.331 222 F C -0.191 175.699 175.800 0.150 0.000 1.085 222 F CA -1.532 56.544 58.000 0.127 0.000 1.028 222 F CB 1.056 40.193 39.000 0.227 0.000 1.177 222 F HN -0.085 nan 8.300 nan 0.000 0.487 223 L N 2.837 124.229 121.223 0.283 0.000 2.342 223 L HA 0.777 5.118 4.340 0.001 0.000 0.276 223 L C -0.535 176.445 176.870 0.184 0.000 0.997 223 L CA -0.466 54.375 54.840 0.002 0.000 0.838 223 L CB 0.734 42.503 42.059 -0.484 0.000 1.224 223 L HN 0.674 nan 8.230 nan 0.000 0.416 224 A N 4.679 127.683 122.820 0.308 0.000 2.304 224 A HA 0.734 5.055 4.320 0.001 0.000 0.301 224 A C -1.330 176.331 177.584 0.127 0.000 1.132 224 A CA -0.186 51.896 52.037 0.076 0.000 0.819 224 A CB 0.442 19.534 19.000 0.154 0.000 1.094 224 A HN 0.865 nan 8.150 nan 0.000 0.492 225 Y N -1.692 118.399 120.300 -0.348 0.000 2.609 225 Y HA 0.740 5.290 4.550 0.001 0.000 0.336 225 Y C -0.310 175.448 175.900 -0.237 0.000 1.129 225 Y CA -0.962 57.033 58.100 -0.174 0.000 1.040 225 Y CB 0.842 39.172 38.460 -0.216 0.000 1.310 225 Y HN 0.897 nan 8.280 nan 0.000 0.460 226 A N 2.397 125.290 122.820 0.123 0.000 2.306 226 A HA 0.658 4.979 4.320 0.001 0.000 0.330 226 A C -1.028 176.448 177.584 -0.180 0.000 1.146 226 A CA -0.820 51.150 52.037 -0.112 0.000 0.827 226 A CB 1.550 20.402 19.000 -0.246 0.000 1.178 226 A HN 0.820 nan 8.150 nan 0.000 0.490 227 Q N 1.131 120.763 119.800 -0.281 0.000 2.330 227 Q HA 0.584 4.925 4.340 0.001 0.000 0.269 227 Q C -2.051 173.734 176.000 -0.360 0.000 1.022 227 Q CA -0.369 55.359 55.803 -0.125 0.000 0.796 227 Q CB 0.991 29.865 28.738 0.226 0.000 1.271 227 Q HN 0.587 nan 8.270 nan 0.000 0.450 228 F N 2.406 122.459 119.950 0.170 0.000 2.443 228 F HA 0.401 4.928 4.527 0.001 0.000 0.335 228 F C 0.463 176.422 175.800 0.266 0.000 1.104 228 F CA -0.895 57.186 58.000 0.136 0.000 1.013 228 F CB 1.294 40.278 39.000 -0.027 0.000 1.136 228 F HN 0.438 nan 8.300 nan 0.000 0.470 229 N N 2.083 121.008 118.700 0.375 0.000 2.476 229 N HA 0.212 4.952 4.740 0.001 0.000 0.257 229 N C -0.860 174.830 175.510 0.300 0.000 0.970 229 N CA -0.302 52.931 53.050 0.304 0.000 0.938 229 N CB 1.009 39.619 38.487 0.205 0.000 1.144 229 N HN 0.546 nan 8.380 nan 0.000 0.500 230 D N 1.428 122.029 120.400 0.336 0.000 2.424 230 D HA 0.125 4.766 4.640 0.001 0.000 0.220 230 D C 1.228 177.651 176.300 0.205 0.000 1.150 230 D CA 0.113 54.286 54.000 0.289 0.000 0.831 230 D CB 0.534 41.568 40.800 0.391 0.000 0.981 230 D HN 0.460 nan 8.370 nan 0.000 0.500 231 T N 0.499 115.153 114.554 0.167 0.000 2.620 231 T HA -0.236 4.115 4.350 0.001 0.000 0.267 231 T C 1.284 176.042 174.700 0.098 0.000 1.044 231 T CA 1.432 63.602 62.100 0.116 0.000 1.161 231 T CB -0.072 68.853 68.868 0.095 0.000 0.862 231 T HN 0.324 nan 8.240 nan 0.000 0.438 232 E N 0.241 120.499 120.200 0.097 0.000 2.501 232 E HA 0.202 4.552 4.350 0.001 0.000 0.200 232 E C -0.522 176.128 176.600 0.083 0.000 1.016 232 E CA -0.257 56.189 56.400 0.077 0.000 0.921 232 E CB 0.637 30.374 29.700 0.063 0.000 1.034 232 E HN 0.200 nan 8.360 nan 0.000 0.468 233 V N 3.506 123.485 119.914 0.108 0.000 2.508 233 V HA 0.116 4.237 4.120 0.001 0.000 0.281 233 V C -2.015 174.139 176.094 0.099 0.000 1.041 233 V CA -1.545 60.823 62.300 0.112 0.000 1.016 233 V CB 0.463 32.374 31.823 0.146 0.000 0.984 233 V HN 0.050 nan 8.190 nan 0.000 0.478 234 P HA 0.321 nan 4.420 nan 0.000 0.274 234 P C -0.918 176.422 177.300 0.067 0.000 1.237 234 P CA -0.440 62.699 63.100 0.065 0.000 0.793 234 P CB 0.555 32.289 31.700 0.057 0.000 0.977 235 L N 2.132 123.373 121.223 0.029 0.000 2.295 235 L HA 0.386 4.727 4.340 0.001 0.000 0.285 235 L C 0.317 177.143 176.870 -0.075 0.000 1.035 235 L CA -0.657 54.183 54.840 0.000 0.000 0.806 235 L CB 0.862 42.917 42.059 -0.006 0.000 1.214 235 L HN 0.299 nan 8.230 nan 0.000 0.426 236 I N 2.836 123.311 120.570 -0.158 0.000 2.575 236 I HA 0.193 4.363 4.170 0.001 0.000 0.285 236 I C -0.197 175.773 176.117 -0.244 0.000 1.085 236 I CA 0.372 61.477 61.300 -0.325 0.000 1.403 236 I CB 0.463 37.993 38.000 -0.782 0.000 1.409 236 I HN 0.611 nan 8.210 nan 0.000 0.557 237 E N 7.196 127.271 120.200 -0.209 0.000 2.248 237 E HA 0.531 4.881 4.350 0.001 0.000 0.267 237 E C -1.755 174.780 176.600 -0.109 0.000 0.877 237 E CA -0.598 55.679 56.400 -0.204 0.000 0.759 237 E CB 2.075 31.686 29.700 -0.149 0.000 1.182 237 E HN 0.566 nan 8.360 nan 0.000 0.418 238 Y N -1.875 118.339 120.300 -0.143 0.000 2.609 238 Y HA 0.533 5.083 4.550 0.001 0.000 0.336 238 Y C -0.775 175.058 175.900 -0.111 0.000 1.129 238 Y CA -1.260 56.764 58.100 -0.127 0.000 1.040 238 Y CB 0.847 39.236 38.460 -0.118 0.000 1.310 238 Y HN 0.227 nan 8.280 nan 0.000 0.460 239 S N 1.879 117.585 115.700 0.009 0.000 2.580 239 S HA 0.474 4.945 4.470 0.001 0.000 0.274 239 S C -1.376 173.096 174.600 -0.213 0.000 1.329 239 S CA -0.344 57.709 58.200 -0.245 0.000 1.036 239 S CB 0.425 63.322 63.200 -0.506 0.000 0.919 239 S HN 0.529 nan 8.310 nan 0.000 0.515 240 F N 2.057 121.752 119.950 -0.425 0.000 2.507 240 F HA 0.433 4.961 4.527 0.001 0.000 0.328 240 F C -0.255 175.319 175.800 -0.376 0.000 1.136 240 F CA -0.831 57.004 58.000 -0.275 0.000 0.930 240 F CB 0.890 39.858 39.000 -0.053 0.000 1.166 240 F HN 0.659 nan 8.300 nan 0.000 0.436 241 Y N 2.679 122.775 120.300 -0.340 0.000 2.397 241 Y HA 0.134 4.684 4.550 0.001 0.000 0.292 241 Y C 1.685 177.534 175.900 -0.087 0.000 1.115 241 Y CA 1.138 59.140 58.100 -0.164 0.000 1.208 241 Y CB -0.386 37.965 38.460 -0.182 0.000 1.046 241 Y HN 0.743 nan 8.280 nan 0.000 0.552 242 S N -0.381 115.270 115.700 -0.083 0.000 3.569 242 S HA -0.213 4.258 4.470 0.001 0.000 0.635 242 S C -0.660 173.999 174.600 0.098 0.000 2.396 242 S CA 0.201 58.490 58.200 0.149 0.000 2.612 242 S CB -1.276 62.098 63.200 0.290 0.000 0.331 242 S HN 0.423 nan 8.310 nan 0.000 1.764 243 D N 1.572 122.045 120.400 0.121 0.000 2.368 243 D HA 0.196 4.836 4.640 0.001 0.000 0.240 243 D C 1.384 177.724 176.300 0.065 0.000 1.169 243 D CA 0.432 54.482 54.000 0.082 0.000 0.906 243 D CB 0.244 41.092 40.800 0.080 0.000 1.187 243 D HN 0.626 nan 8.370 nan 0.000 0.435 244 E N 0.474 120.700 120.200 0.043 0.000 2.171 244 E HA -0.242 4.109 4.350 0.001 0.000 0.197 244 E C 1.494 178.111 176.600 0.029 0.000 0.997 244 E CA 1.421 57.837 56.400 0.027 0.000 0.810 244 E CB 0.122 29.831 29.700 0.014 0.000 0.738 244 E HN 0.440 nan 8.360 nan 0.000 0.467 245 S N 0.165 115.888 115.700 0.038 0.000 2.469 245 S HA -0.151 4.320 4.470 0.001 0.000 0.238 245 S C 0.915 175.544 174.600 0.049 0.000 0.998 245 S CA 0.125 58.348 58.200 0.038 0.000 0.957 245 S CB -0.208 63.017 63.200 0.042 0.000 0.764 245 S HN 0.245 nan 8.310 nan 0.000 0.514 246 L N 2.413 123.675 121.223 0.065 0.000 2.385 246 L HA 0.316 4.656 4.340 0.001 0.000 0.281 246 L C 1.367 178.278 176.870 0.068 0.000 1.106 246 L CA 0.034 54.924 54.840 0.084 0.000 0.856 246 L CB 0.680 42.805 42.059 0.111 0.000 1.186 246 L HN 0.256 nan 8.230 nan 0.000 0.453 247 Q N 3.960 123.801 119.800 0.069 0.000 2.079 247 Q HA -0.090 4.251 4.340 0.001 0.000 0.200 247 Q C -0.520 175.410 176.000 -0.117 0.000 0.974 247 Q CA 1.386 57.177 55.803 -0.021 0.000 0.840 247 Q CB 0.123 28.864 28.738 0.006 0.000 0.898 247 Q HN 0.679 nan 8.270 nan 0.000 0.430 248 Y N 0.578 120.897 120.300 0.031 0.000 2.352 248 Y HA 0.391 4.941 4.550 0.001 0.000 0.339 248 Y C -2.038 173.879 175.900 0.028 0.000 0.992 248 Y CA -2.967 55.149 58.100 0.026 0.000 1.100 248 Y CB 1.363 39.829 38.460 0.010 0.000 1.192 248 Y HN 0.161 nan 8.280 nan 0.000 0.458 249 P HA 0.025 nan 4.420 nan 0.000 0.269 249 P C -0.865 176.450 177.300 0.025 0.000 1.215 249 P CA -0.534 62.593 63.100 0.044 0.000 0.780 249 P CB 0.687 32.341 31.700 -0.077 0.000 0.898 250 K N 0.969 121.369 120.400 0.000 0.000 2.143 250 K HA 0.334 4.655 4.320 0.001 0.000 0.272 250 K C -0.757 175.800 176.600 -0.070 0.000 1.001 250 K CA -0.347 55.937 56.287 -0.004 0.000 0.915 250 K CB 0.473 32.999 32.500 0.044 0.000 1.047 250 K HN 0.297 nan 8.250 nan 0.000 0.458 251 T N 3.362 117.860 114.554 -0.094 0.000 2.733 251 T HA 0.211 4.561 4.350 0.001 0.000 0.294 251 T C -0.558 174.018 174.700 -0.207 0.000 0.956 251 T CA -0.628 61.380 62.100 -0.152 0.000 0.987 251 T CB 0.888 69.682 68.868 -0.123 0.000 0.920 251 T HN 0.338 nan 8.240 nan 0.000 0.470 252 V N 5.768 125.464 119.914 -0.364 0.000 2.498 252 V HA 0.400 4.521 4.120 0.001 0.000 0.279 252 V C 0.511 176.336 176.094 -0.448 0.000 1.048 252 V CA -0.467 61.566 62.300 -0.445 0.000 0.967 252 V CB 0.700 32.092 31.823 -0.719 0.000 0.988 252 V HN 0.705 nan 8.190 nan 0.000 0.473 253 R N 3.658 124.025 120.500 -0.222 0.000 2.451 253 R HA 0.688 5.029 4.340 0.001 0.000 0.307 253 R C -1.696 174.592 176.300 -0.020 0.000 0.965 253 R CA -0.584 55.432 56.100 -0.140 0.000 0.865 253 R CB 2.162 32.412 30.300 -0.084 0.000 1.174 253 R HN 0.503 nan 8.270 nan 0.000 0.455 254 V N 4.129 124.033 119.914 -0.016 0.000 2.531 254 V HA 0.322 4.443 4.120 0.001 0.000 0.301 254 V C -2.353 173.796 176.094 0.091 0.000 1.034 254 V CA -2.487 59.873 62.300 0.100 0.000 0.865 254 V CB 2.167 33.999 31.823 0.014 0.000 0.995 254 V HN 0.595 nan 8.190 nan 0.000 0.424 255 P HA 0.185 nan 4.420 nan 0.000 0.266 255 P C -1.326 176.087 177.300 0.188 0.000 1.215 255 P CA 0.284 63.496 63.100 0.186 0.000 0.763 255 P CB -0.109 31.745 31.700 0.257 0.000 0.806 256 Y N 6.176 126.457 120.300 -0.032 0.000 2.298 256 Y HA 0.368 4.918 4.550 0.001 0.000 0.322 256 Y C -2.837 173.034 175.900 -0.049 0.000 1.138 256 Y CA -2.790 55.238 58.100 -0.121 0.000 1.127 256 Y CB 1.785 40.049 38.460 -0.327 0.000 1.178 256 Y HN 0.274 nan 8.280 nan 0.000 0.428 257 P HA 0.288 nan 4.420 nan 0.000 0.292 257 P C -0.905 176.441 177.300 0.077 0.000 1.326 257 P CA -0.228 62.913 63.100 0.069 0.000 0.787 257 P CB 1.382 33.105 31.700 0.040 0.000 0.903 258 K N 1.970 122.499 120.400 0.216 0.000 2.120 258 K HA 0.512 4.832 4.320 0.001 0.000 0.245 258 K C 0.571 177.269 176.600 0.163 0.000 1.024 258 K CA -0.715 55.715 56.287 0.239 0.000 0.906 258 K CB 0.497 33.155 32.500 0.264 0.000 1.051 258 K HN 0.448 nan 8.250 nan 0.000 0.491 259 A N 0.675 123.617 122.820 0.204 0.000 2.566 259 A HA 0.305 4.625 4.320 0.001 0.000 0.245 259 A C 1.170 178.791 177.584 0.061 0.000 1.056 259 A CA 0.976 53.121 52.037 0.180 0.000 0.757 259 A CB -1.146 18.057 19.000 0.338 0.000 0.979 259 A HN 0.891 nan 8.150 nan 0.000 0.508 260 G N 0.932 109.756 108.800 0.040 0.000 2.199 260 G HA2 0.116 4.077 3.960 0.001 0.000 0.254 260 G HA3 0.116 4.077 3.960 0.001 0.000 0.254 260 G C 0.673 175.584 174.900 0.017 0.000 0.982 260 G CA 0.642 45.739 45.100 -0.005 0.000 0.632 260 G HN 2.164 nan 8.290 nan 0.000 0.529 261 A N -0.159 122.688 122.820 0.046 0.000 2.280 261 A HA 0.733 5.053 4.320 0.001 0.000 0.268 261 A C 0.903 178.517 177.584 0.049 0.000 1.111 261 A CA 0.329 52.397 52.037 0.051 0.000 0.814 261 A CB 0.646 19.691 19.000 0.076 0.000 1.093 261 A HN 1.199 nan 8.150 nan 0.000 0.498 262 V N 1.953 121.897 119.914 0.050 0.000 2.540 262 V HA -0.016 4.105 4.120 0.001 0.000 0.297 262 V C 0.682 176.818 176.094 0.070 0.000 1.024 262 V CA 0.407 62.738 62.300 0.051 0.000 1.105 262 V CB -0.453 31.400 31.823 0.051 0.000 0.938 262 V HN 0.870 nan 8.190 nan 0.000 0.482 263 N N 5.649 124.389 118.700 0.067 0.000 2.495 263 N HA 0.435 5.176 4.740 0.001 0.000 0.280 263 N C -2.459 173.132 175.510 0.136 0.000 1.168 263 N CA -1.403 51.708 53.050 0.102 0.000 0.978 263 N CB 1.359 39.893 38.487 0.078 0.000 1.191 263 N HN 0.467 nan 8.380 nan 0.000 0.497 264 P HA 0.017 nan 4.420 nan 0.000 0.269 264 P C -0.646 176.811 177.300 0.262 0.000 1.215 264 P CA -0.085 63.176 63.100 0.268 0.000 0.780 264 P CB 0.505 32.422 31.700 0.363 0.000 0.898 265 T N -1.345 113.342 114.554 0.223 0.000 2.944 265 T HA 0.572 4.922 4.350 0.001 0.000 0.284 265 T C -0.252 174.586 174.700 0.229 0.000 1.010 265 T CA -0.835 61.361 62.100 0.159 0.000 1.025 265 T CB 1.465 70.386 68.868 0.089 0.000 1.079 265 T HN 0.331 nan 8.240 nan 0.000 0.516 266 V N 0.643 120.665 119.914 0.181 0.000 2.760 266 V HA 0.704 4.825 4.120 0.001 0.000 0.309 266 V C -1.412 174.769 176.094 0.145 0.000 1.077 266 V CA -0.796 61.584 62.300 0.134 0.000 0.910 266 V CB 1.968 33.931 31.823 0.233 0.000 1.008 266 V HN 1.043 nan 8.190 nan 0.000 0.424 267 K N 4.661 125.076 120.400 0.024 0.000 2.444 267 K HA 0.621 4.942 4.320 0.001 0.000 0.252 267 K C -1.928 174.578 176.600 -0.156 0.000 0.993 267 K CA -0.607 55.653 56.287 -0.044 0.000 0.847 267 K CB 2.958 35.398 32.500 -0.101 0.000 1.340 267 K HN 0.549 nan 8.250 nan 0.000 0.446 268 F N 1.726 121.332 119.950 -0.572 0.000 2.547 268 F HA 0.546 5.074 4.527 0.001 0.000 0.316 268 F C -1.677 173.578 175.800 -0.908 0.000 1.121 268 F CA -0.681 56.984 58.000 -0.558 0.000 0.911 268 F CB 0.991 39.795 39.000 -0.326 0.000 1.179 268 F HN 0.391 nan 8.300 nan 0.000 0.443 269 F N 4.196 123.418 119.950 -1.214 0.000 2.588 269 F HA 0.772 5.300 4.527 0.001 0.000 0.314 269 F C -0.969 174.181 175.800 -1.083 0.000 1.069 269 F CA -1.240 56.155 58.000 -1.008 0.000 0.931 269 F CB 2.124 40.453 39.000 -1.120 0.000 1.260 269 F HN 0.150 nan 8.300 nan 0.000 0.465 270 V N 2.547 122.231 119.914 -0.383 0.000 2.588 270 V HA 0.637 4.757 4.120 0.001 0.000 0.304 270 V C -1.086 175.088 176.094 0.134 0.000 1.042 270 V CA -0.858 61.302 62.300 -0.233 0.000 0.877 270 V CB 1.935 33.398 31.823 -0.601 0.000 0.996 270 V HN 0.616 nan 8.190 nan 0.000 0.425 271 V N 3.905 123.977 119.914 0.263 0.000 2.680 271 V HA 0.579 4.700 4.120 0.001 0.000 0.309 271 V C -0.380 175.944 176.094 0.382 0.000 1.052 271 V CA -0.623 61.861 62.300 0.307 0.000 0.908 271 V CB 2.160 34.109 31.823 0.210 0.000 1.001 271 V HN 0.929 nan 8.190 nan 0.000 0.431 272 N N 3.341 122.234 118.700 0.323 0.000 2.406 272 N HA 0.143 4.883 4.740 0.001 0.000 0.251 272 N C 1.026 176.531 175.510 -0.009 0.000 1.069 272 N CA 0.586 53.698 53.050 0.104 0.000 0.947 272 N CB 1.623 40.142 38.487 0.054 0.000 1.111 272 N HN 0.906 nan 8.380 nan 0.000 0.497 273 T N -0.464 114.073 114.554 -0.028 0.000 3.113 273 T HA 0.047 4.397 4.350 0.001 0.000 0.256 273 T C 0.629 175.276 174.700 -0.089 0.000 1.131 273 T CA 0.491 62.578 62.100 -0.022 0.000 1.074 273 T CB 0.180 69.140 68.868 0.152 0.000 0.944 273 T HN 0.220 nan 8.240 nan 0.000 0.516 274 D N 2.002 122.325 120.400 -0.128 0.000 2.333 274 D HA 0.051 4.691 4.640 0.001 0.000 0.208 274 D C 1.503 177.736 176.300 -0.112 0.000 0.984 274 D CA 0.811 54.736 54.000 -0.125 0.000 0.873 274 D CB 0.135 40.842 40.800 -0.155 0.000 0.935 274 D HN 0.643 nan 8.370 nan 0.000 0.521 275 S N -0.228 115.407 115.700 -0.107 0.000 2.624 275 S HA 0.282 4.752 4.470 0.001 0.000 0.246 275 S C 0.468 175.006 174.600 -0.104 0.000 1.072 275 S CA -0.574 57.583 58.200 -0.073 0.000 1.045 275 S CB -0.287 62.902 63.200 -0.019 0.000 0.851 275 S HN -0.009 nan 8.310 nan 0.000 0.480 276 L N 1.976 123.059 121.223 -0.233 0.000 2.439 276 L HA 0.499 4.840 4.340 0.001 0.000 0.269 276 L C 0.575 177.282 176.870 -0.272 0.000 1.179 276 L CA -0.170 54.434 54.840 -0.393 0.000 0.828 276 L CB 1.162 42.646 42.059 -0.959 0.000 1.106 276 L HN 0.348 nan 8.230 nan 0.000 0.467 277 S N 0.179 115.841 115.700 -0.064 0.000 2.526 277 S HA 0.298 4.768 4.470 0.001 0.000 0.293 277 S C 0.630 175.432 174.600 0.337 0.000 1.092 277 S CA -0.624 57.657 58.200 0.136 0.000 0.980 277 S CB 1.969 65.223 63.200 0.090 0.000 1.048 277 S HN 0.585 nan 8.310 nan 0.000 0.483 278 S N 2.323 118.222 115.700 0.332 0.000 2.428 278 S HA -0.041 4.430 4.470 0.001 0.000 0.230 278 S C 1.561 176.253 174.600 0.154 0.000 1.014 278 S CA 1.086 59.423 58.200 0.228 0.000 0.957 278 S CB -0.086 63.195 63.200 0.134 0.000 0.784 278 S HN 0.614 nan 8.310 nan 0.000 0.499 279 V N 0.436 120.428 119.914 0.129 0.000 2.825 279 V HA 0.107 4.227 4.120 0.001 0.000 0.246 279 V C 0.713 176.857 176.094 0.083 0.000 1.068 279 V CA 0.777 63.131 62.300 0.089 0.000 1.088 279 V CB -0.242 31.622 31.823 0.067 0.000 0.733 279 V HN 0.299 nan 8.190 nan 0.000 0.468 280 T N 0.884 115.495 114.554 0.096 0.000 2.863 280 T HA 0.385 4.736 4.350 0.001 0.000 0.285 280 T C -0.271 174.495 174.700 0.109 0.000 1.009 280 T CA -0.544 61.602 62.100 0.075 0.000 0.989 280 T CB 1.381 70.283 68.868 0.056 0.000 1.004 280 T HN 0.106 nan 8.240 nan 0.000 0.455 281 N N 1.783 120.537 118.700 0.089 0.000 2.395 281 N HA 0.291 5.032 4.740 0.001 0.000 0.246 281 N C 0.203 175.786 175.510 0.121 0.000 1.246 281 N CA -0.085 53.051 53.050 0.144 0.000 0.879 281 N CB 0.423 38.942 38.487 0.053 0.000 1.098 281 N HN 0.844 nan 8.380 nan 0.000 0.444 282 A N 1.445 124.352 122.820 0.145 0.000 2.462 282 A HA 0.249 4.570 4.320 0.001 0.000 0.243 282 A C 0.252 177.888 177.584 0.086 0.000 1.076 282 A CA 0.065 52.154 52.037 0.088 0.000 0.773 282 A CB 0.072 19.105 19.000 0.054 0.000 1.010 282 A HN 0.533 nan 8.150 nan 0.000 0.493 283 T N 2.633 117.240 114.554 0.089 0.000 2.733 283 T HA 0.420 4.770 4.350 0.001 0.000 0.294 283 T C 0.085 174.870 174.700 0.142 0.000 0.956 283 T CA 0.052 62.216 62.100 0.106 0.000 0.987 283 T CB 0.578 69.513 68.868 0.111 0.000 0.920 283 T HN 0.556 nan 8.240 nan 0.000 0.470 284 S N 3.847 119.626 115.700 0.131 0.000 2.480 284 S HA 0.467 4.938 4.470 0.001 0.000 0.286 284 S C 0.063 174.812 174.600 0.247 0.000 1.180 284 S CA -0.818 57.487 58.200 0.174 0.000 1.075 284 S CB 0.441 63.684 63.200 0.072 0.000 0.996 284 S HN 0.474 nan 8.310 nan 0.000 0.487 285 I N 3.194 123.929 120.570 0.275 0.000 2.315 285 I HA 0.267 4.438 4.170 0.001 0.000 0.291 285 I C 0.590 176.826 176.117 0.199 0.000 1.006 285 I CA -0.287 61.180 61.300 0.279 0.000 1.265 285 I CB 0.869 39.107 38.000 0.396 0.000 1.387 285 I HN 0.671 nan 8.210 nan 0.000 0.475 286 Q N 5.944 125.841 119.800 0.160 0.000 2.288 286 Q HA 0.418 4.759 4.340 0.001 0.000 0.254 286 Q C -0.908 175.042 176.000 -0.083 0.000 0.932 286 Q CA -0.308 55.407 55.803 -0.146 0.000 0.902 286 Q CB 1.108 29.720 28.738 -0.211 0.000 1.203 286 Q HN 0.540 nan 8.270 nan 0.000 0.415 287 I N 4.213 124.714 120.570 -0.115 0.000 2.328 287 I HA 0.173 4.344 4.170 0.001 0.000 0.287 287 I C 0.387 176.502 176.117 -0.003 0.000 1.012 287 I CA -0.604 60.699 61.300 0.005 0.000 1.195 287 I CB 1.341 39.384 38.000 0.072 0.000 1.350 287 I HN 0.662 nan 8.210 nan 0.000 0.464 288 T N 3.236 117.750 114.554 -0.066 0.000 2.904 288 T HA 0.625 4.976 4.350 0.001 0.000 0.290 288 T C 0.378 174.896 174.700 -0.303 0.000 1.018 288 T CA -0.807 61.197 62.100 -0.160 0.000 1.075 288 T CB 1.554 70.326 68.868 -0.159 0.000 0.986 288 T HN 0.579 nan 8.240 nan 0.000 0.523 289 A N 3.595 125.990 122.820 -0.708 0.000 2.425 289 A HA 0.558 4.879 4.320 0.001 0.000 0.242 289 A C -2.107 175.001 177.584 -0.794 0.000 1.077 289 A CA -1.404 49.788 52.037 -1.410 0.000 0.781 289 A CB -0.892 16.797 19.000 -2.185 0.000 1.020 289 A HN 0.760 nan 8.150 nan 0.000 0.494 290 P HA 0.197 nan 4.420 nan 0.000 0.270 290 P C 0.780 177.874 177.300 -0.344 0.000 1.223 290 P CA 0.577 63.454 63.100 -0.371 0.000 0.785 290 P CB 0.606 32.157 31.700 -0.249 0.000 0.923 291 A N 2.038 124.725 122.820 -0.221 0.000 1.978 291 A HA -0.197 4.124 4.320 0.001 0.000 0.220 291 A C 2.103 179.584 177.584 -0.172 0.000 1.170 291 A CA 2.256 54.183 52.037 -0.183 0.000 0.636 291 A CB -1.790 17.137 19.000 -0.123 0.000 0.810 291 A HN 0.629 nan 8.150 nan 0.000 0.448 292 S N -1.296 114.321 115.700 -0.138 0.000 2.469 292 S HA -0.109 4.362 4.470 0.001 0.000 0.238 292 S C 1.736 176.257 174.600 -0.132 0.000 0.998 292 S CA 1.559 59.699 58.200 -0.101 0.000 0.957 292 S CB -0.313 62.899 63.200 0.020 0.000 0.764 292 S HN 0.407 nan 8.310 nan 0.000 0.514 293 M N 0.824 120.274 119.600 -0.249 0.000 2.556 293 M HA 0.354 4.834 4.480 0.001 0.000 0.264 293 M C 2.077 178.111 176.300 -0.442 0.000 1.163 293 M CA 0.681 55.754 55.300 -0.378 0.000 1.186 293 M CB -1.224 30.969 32.600 -0.679 0.000 1.321 293 M HN 0.312 nan 8.290 nan 0.000 0.485 294 L N 1.086 122.042 121.223 -0.444 0.000 2.261 294 L HA -0.171 4.170 4.340 0.001 0.000 0.216 294 L C 2.281 179.091 176.870 -0.100 0.000 1.114 294 L CA 0.768 55.452 54.840 -0.260 0.000 0.777 294 L CB -0.966 40.952 42.059 -0.236 0.000 0.910 294 L HN 0.320 nan 8.230 nan 0.000 0.440 295 I N -2.537 117.969 120.570 -0.106 0.000 2.700 295 I HA 0.060 4.231 4.170 0.001 0.000 0.261 295 I C 1.122 177.220 176.117 -0.032 0.000 1.219 295 I CA 0.889 62.148 61.300 -0.067 0.000 1.463 295 I CB -0.531 37.419 38.000 -0.084 0.000 1.092 295 I HN 0.104 nan 8.210 nan 0.000 0.452 296 G N -0.280 108.523 108.800 0.005 0.000 2.650 296 G HA2 0.262 4.223 3.960 0.001 0.000 0.310 296 G HA3 0.262 4.223 3.960 0.001 0.000 0.310 296 G C -1.818 173.133 174.900 0.086 0.000 1.270 296 G CA -0.624 44.490 45.100 0.022 0.000 0.810 296 G HN 0.009 nan 8.290 nan 0.000 0.493 297 D N 1.326 121.721 120.400 -0.008 0.000 2.443 297 D HA 0.434 5.074 4.640 0.001 0.000 0.239 297 D C 0.394 176.625 176.300 -0.115 0.000 1.136 297 D CA 0.851 54.778 54.000 -0.121 0.000 0.879 297 D CB 0.345 41.051 40.800 -0.157 0.000 1.195 297 D HN 0.567 nan 8.370 nan 0.000 0.443 298 H N -0.846 118.070 119.070 -0.256 0.000 2.932 298 H HA 0.392 4.948 4.556 0.001 0.000 0.307 298 H C -1.462 173.716 175.328 -0.249 0.000 1.391 298 H CA -0.821 55.087 56.048 -0.233 0.000 1.130 298 H CB 0.229 29.986 29.762 -0.008 0.000 1.836 298 H HN 0.290 nan 8.280 nan 0.000 0.522 299 Y N 0.174 120.722 120.300 0.413 0.000 2.536 299 Y HA 0.402 4.953 4.550 0.001 0.000 0.347 299 Y C -0.261 175.952 175.900 0.521 0.000 1.000 299 Y CA -1.152 57.198 58.100 0.416 0.000 1.051 299 Y CB 1.961 40.497 38.460 0.126 0.000 1.259 299 Y HN 0.490 nan 8.280 nan 0.000 0.468 300 L N 3.132 124.725 121.223 0.617 0.000 2.281 300 L HA 0.367 4.708 4.340 0.001 0.000 0.285 300 L C 0.470 177.407 176.870 0.112 0.000 1.074 300 L CA -0.141 54.711 54.840 0.021 0.000 0.817 300 L CB 0.399 42.342 42.059 -0.192 0.000 1.168 300 L HN 1.003 nan 8.230 nan 0.000 0.434 301 C N 1.283 120.501 119.300 -0.136 0.000 3.403 301 C HA 0.489 4.949 4.460 0.001 0.000 0.317 301 C C 0.238 175.072 174.990 -0.260 0.000 1.346 301 C CA -0.405 58.460 59.018 -0.255 0.000 1.743 301 C CB -0.542 27.105 27.740 -0.154 0.000 2.308 301 C HN 0.837 nan 8.230 nan 0.000 0.675 302 D N 0.362 120.637 120.400 -0.208 0.000 2.837 302 D HA 0.485 5.125 4.640 0.001 0.000 0.220 302 D C -1.808 174.235 176.300 -0.428 0.000 1.236 302 D CA 0.093 53.994 54.000 -0.164 0.000 0.838 302 D CB 2.942 43.634 40.800 -0.181 0.000 1.647 302 D HN 0.072 nan 8.370 nan 0.000 0.486 303 V N 2.354 121.949 119.914 -0.532 0.000 2.525 303 V HA 0.521 4.641 4.120 0.001 0.000 0.299 303 V C -0.468 175.258 176.094 -0.614 0.000 1.034 303 V CA -0.422 61.315 62.300 -0.937 0.000 0.863 303 V CB 1.913 32.613 31.823 -1.871 0.000 0.999 303 V HN 0.631 nan 8.190 nan 0.000 0.423 304 T N 3.509 117.781 114.554 -0.471 0.000 3.050 304 T HA 0.324 4.674 4.350 0.001 0.000 0.310 304 T C -0.807 173.757 174.700 -0.226 0.000 0.978 304 T CA -0.459 61.524 62.100 -0.194 0.000 1.013 304 T CB 0.664 69.494 68.868 -0.064 0.000 1.000 304 T HN 0.527 nan 8.240 nan 0.000 0.447 305 W N 2.177 123.420 121.300 -0.095 0.000 2.210 305 W HA 0.438 5.099 4.660 0.001 0.000 0.330 305 W C 1.202 177.589 176.519 -0.221 0.000 1.334 305 W CA -0.224 57.054 57.345 -0.112 0.000 1.227 305 W CB 0.531 30.012 29.460 0.036 0.000 1.178 305 W HN 0.842 nan 8.180 nan 0.000 0.560 306 A N 2.110 124.794 122.820 -0.227 0.000 1.920 306 A HA 0.179 4.499 4.320 0.001 0.000 0.209 306 A C 0.937 178.485 177.584 -0.060 0.000 1.229 306 A CA 1.543 53.230 52.037 -0.584 0.000 0.671 306 A CB -0.386 17.773 19.000 -1.402 0.000 0.886 306 A HN 0.536 nan 8.150 nan 0.000 0.461 307 T N -5.545 109.076 114.554 0.110 0.000 2.654 307 T HA 0.345 4.696 4.350 0.001 0.000 0.289 307 T C 0.199 175.062 174.700 0.273 0.000 1.062 307 T CA -0.355 61.851 62.100 0.177 0.000 1.041 307 T CB 0.653 69.610 68.868 0.148 0.000 1.417 307 T HN -0.022 nan 8.240 nan 0.000 0.510 308 Q N 0.330 120.255 119.800 0.208 0.000 2.291 308 Q HA 0.001 4.342 4.340 0.001 0.000 0.206 308 Q C 0.829 177.076 176.000 0.412 0.000 0.976 308 Q CA 1.513 57.444 55.803 0.214 0.000 0.875 308 Q CB -0.152 28.675 28.738 0.147 0.000 0.927 308 Q HN 0.834 nan 8.270 nan 0.000 0.450 309 E N -0.378 120.073 120.200 0.420 0.000 2.810 309 E HA 0.194 4.544 4.350 0.001 0.000 0.214 309 E C -0.222 176.655 176.600 0.461 0.000 0.980 309 E CA -0.169 56.490 56.400 0.432 0.000 1.159 309 E CB 1.069 30.924 29.700 0.257 0.000 1.047 309 E HN -0.045 nan 8.360 nan 0.000 0.484 310 R N 1.726 122.519 120.500 0.489 0.000 2.502 310 R HA 0.501 4.842 4.340 0.001 0.000 0.300 310 R C -1.646 174.688 176.300 0.056 0.000 0.984 310 R CA -0.426 55.828 56.100 0.258 0.000 0.882 310 R CB 1.199 31.537 30.300 0.063 0.000 1.180 310 R HN 0.062 nan 8.270 nan 0.000 0.444 311 I N 3.148 123.583 120.570 -0.226 0.000 2.530 311 I HA 0.443 4.614 4.170 0.001 0.000 0.297 311 I C -0.729 175.071 176.117 -0.528 0.000 1.011 311 I CA -0.481 60.392 61.300 -0.711 0.000 1.107 311 I CB 2.102 39.225 38.000 -1.462 0.000 1.285 311 I HN 0.825 nan 8.210 nan 0.000 0.436 312 S N 7.548 122.921 115.700 -0.545 0.000 2.537 312 S HA 0.781 5.252 4.470 0.001 0.000 0.301 312 S C -1.019 173.256 174.600 -0.542 0.000 1.092 312 S CA -0.725 57.230 58.200 -0.408 0.000 1.048 312 S CB 1.627 64.698 63.200 -0.216 0.000 1.053 312 S HN 0.560 nan 8.310 nan 0.000 0.501 313 L N 1.747 122.663 121.223 -0.511 0.000 2.408 313 L HA 0.543 4.883 4.340 0.001 0.000 0.268 313 L C -0.517 176.042 176.870 -0.517 0.000 0.986 313 L CA -0.701 53.718 54.840 -0.701 0.000 0.820 313 L CB 2.221 43.734 42.059 -0.909 0.000 1.303 313 L HN 0.689 nan 8.230 nan 0.000 0.411 314 Q N 1.465 120.941 119.800 -0.540 0.000 2.312 314 Q HA 0.476 4.816 4.340 0.001 0.000 0.263 314 Q C -1.700 174.052 176.000 -0.415 0.000 0.995 314 Q CA -0.540 55.065 55.803 -0.330 0.000 0.853 314 Q CB 2.517 31.128 28.738 -0.212 0.000 1.300 314 Q HN 0.415 nan 8.270 nan 0.000 0.448 315 W N 2.137 123.390 121.300 -0.079 0.000 2.706 315 W HA 0.630 5.290 4.660 0.001 0.000 0.346 315 W C -0.979 175.571 176.519 0.052 0.000 1.071 315 W CA -0.683 56.663 57.345 0.002 0.000 1.206 315 W CB 1.178 30.612 29.460 -0.043 0.000 1.413 315 W HN 0.374 nan 8.180 nan 0.000 0.542 316 L N 2.603 124.062 121.223 0.392 0.000 2.410 316 L HA 0.557 4.897 4.340 0.001 0.000 0.270 316 L C -0.136 176.937 176.870 0.338 0.000 0.983 316 L CA -1.114 53.916 54.840 0.317 0.000 0.822 316 L CB 1.363 43.594 42.059 0.287 0.000 1.285 316 L HN 0.397 nan 8.230 nan 0.000 0.409 317 R N 2.493 123.154 120.500 0.268 0.000 2.641 317 R HA 0.216 4.556 4.340 0.001 0.000 0.269 317 R C 1.009 177.388 176.300 0.131 0.000 1.074 317 R CA -0.151 56.056 56.100 0.178 0.000 1.133 317 R CB 0.589 30.978 30.300 0.148 0.000 1.029 317 R HN 0.652 nan 8.270 nan 0.000 0.488 318 R N 1.423 121.912 120.500 -0.017 0.000 2.105 318 R HA -0.072 4.269 4.340 0.001 0.000 0.239 318 R C 0.406 176.764 176.300 0.098 0.000 1.135 318 R CA 1.116 57.198 56.100 -0.030 0.000 0.967 318 R CB 0.168 30.390 30.300 -0.132 0.000 0.861 318 R HN 0.390 nan 8.270 nan 0.000 0.442 319 I N 2.890 123.499 120.570 0.066 0.000 2.329 319 I HA -0.002 4.169 4.170 0.001 0.000 0.295 319 I C 0.188 176.367 176.117 0.103 0.000 1.109 319 I CA 0.548 61.888 61.300 0.067 0.000 1.297 319 I CB 0.871 38.894 38.000 0.039 0.000 1.433 319 I HN 0.281 nan 8.210 nan 0.000 0.509 320 Q N 4.368 124.227 119.800 0.098 0.000 2.292 320 Q HA -0.002 4.339 4.340 0.001 0.000 0.247 320 Q C 0.553 176.629 176.000 0.127 0.000 0.911 320 Q CA -0.008 55.866 55.803 0.119 0.000 0.948 320 Q CB -0.198 28.570 28.738 0.050 0.000 1.093 320 Q HN 0.636 nan 8.270 nan 0.000 0.428 321 N N -0.752 118.025 118.700 0.128 0.000 2.238 321 N HA -0.027 4.714 4.740 0.001 0.000 0.222 321 N C -1.061 174.557 175.510 0.180 0.000 1.133 321 N CA -0.201 52.918 53.050 0.115 0.000 0.854 321 N CB 0.267 38.797 38.487 0.070 0.000 1.041 321 N HN 0.171 nan 8.380 nan 0.000 0.510 322 Y N 1.010 121.337 120.300 0.046 0.000 2.330 322 Y HA 0.511 5.062 4.550 0.001 0.000 0.324 322 Y C -1.114 174.824 175.900 0.065 0.000 1.093 322 Y CA -0.902 57.225 58.100 0.044 0.000 1.103 322 Y CB 1.372 39.850 38.460 0.030 0.000 1.183 322 Y HN 0.164 nan 8.280 nan 0.000 0.433 323 S N 3.980 119.587 115.700 -0.156 0.000 2.599 323 S HA 0.938 5.408 4.470 0.001 0.000 0.287 323 S C -1.806 172.689 174.600 -0.174 0.000 1.105 323 S CA -0.769 57.401 58.200 -0.051 0.000 0.899 323 S CB 2.071 65.274 63.200 0.005 0.000 1.100 323 S HN 0.435 nan 8.310 nan 0.000 0.482 324 V N 2.407 122.314 119.914 -0.012 0.000 2.638 324 V HA 0.498 4.619 4.120 0.001 0.000 0.306 324 V C -0.521 175.606 176.094 0.054 0.000 1.052 324 V CA -0.642 61.656 62.300 -0.004 0.000 0.885 324 V CB 1.791 33.644 31.823 0.050 0.000 0.999 324 V HN 1.039 nan 8.190 nan 0.000 0.424 325 M N 3.672 123.277 119.600 0.010 0.000 2.157 325 M HA 0.488 4.969 4.480 0.001 0.000 0.354 325 M C -1.101 175.213 176.300 0.023 0.000 1.170 325 M CA -0.213 55.073 55.300 -0.022 0.000 1.060 325 M CB 0.971 33.515 32.600 -0.094 0.000 1.615 325 M HN 0.630 nan 8.290 nan 0.000 0.460 326 D N 5.062 125.469 120.400 0.010 0.000 2.181 326 D HA 0.522 5.163 4.640 0.001 0.000 0.248 326 D C -0.943 175.328 176.300 -0.048 0.000 1.020 326 D CA -0.026 53.977 54.000 0.006 0.000 0.891 326 D CB 1.663 42.489 40.800 0.043 0.000 1.187 326 D HN 0.589 nan 8.370 nan 0.000 0.443 327 I N 2.246 122.813 120.570 -0.006 0.000 2.411 327 I HA 0.270 4.441 4.170 0.001 0.000 0.284 327 I C -0.661 175.458 176.117 0.002 0.000 1.012 327 I CA -0.559 60.734 61.300 -0.013 0.000 1.119 327 I CB 1.297 39.349 38.000 0.087 0.000 1.261 327 I HN 0.162 nan 8.210 nan 0.000 0.448 328 c N 3.828 122.417 118.600 -0.018 0.000 2.417 328 c HA 0.552 5.122 4.570 0.001 0.000 0.324 328 c C -0.334 173.892 174.090 0.228 0.000 1.240 328 c CA -0.682 55.701 56.329 0.090 0.000 1.632 328 c CB 1.106 43.663 42.510 0.079 0.000 2.241 328 c HN 0.580 nan 8.230 nan 0.000 0.499 329 D N 0.369 120.890 120.400 0.203 0.000 2.256 329 D HA 0.315 4.956 4.640 0.001 0.000 0.246 329 D C -0.683 175.549 176.300 -0.113 0.000 1.042 329 D CA -0.218 53.850 54.000 0.113 0.000 0.841 329 D CB 0.861 41.680 40.800 0.031 0.000 1.223 329 D HN 0.560 nan 8.370 nan 0.000 0.470 330 Y N 1.689 121.577 120.300 -0.685 0.000 2.465 330 Y HA 0.178 4.729 4.550 0.001 0.000 0.331 330 Y C -0.119 175.481 175.900 -0.499 0.000 1.102 330 Y CA -0.067 57.327 58.100 -1.176 0.000 1.358 330 Y CB 0.605 38.212 38.460 -1.421 0.000 1.213 330 Y HN 0.192 nan 8.280 nan 0.000 0.525 331 D N 5.319 125.093 120.400 -1.043 0.000 2.443 331 D HA 0.073 4.714 4.640 0.001 0.000 0.221 331 D C 0.818 176.551 176.300 -0.945 0.000 1.097 331 D CA -0.114 53.464 54.000 -0.704 0.000 0.865 331 D CB 0.714 41.261 40.800 -0.421 0.000 1.034 331 D HN 0.825 nan 8.370 nan 0.000 0.511 332 E N 1.892 121.733 120.200 -0.597 0.000 2.204 332 E HA -0.176 4.175 4.350 0.001 0.000 0.195 332 E C 1.117 177.616 176.600 -0.168 0.000 0.990 332 E CA 1.115 57.344 56.400 -0.285 0.000 0.821 332 E CB 0.350 30.070 29.700 0.032 0.000 0.750 332 E HN 0.504 nan 8.360 nan 0.000 0.477 333 S N -0.285 115.312 115.700 -0.171 0.000 2.425 333 S HA -0.084 4.387 4.470 0.001 0.000 0.225 333 S C 2.062 176.601 174.600 -0.101 0.000 1.024 333 S CA 0.839 58.981 58.200 -0.097 0.000 0.951 333 S CB 0.156 63.312 63.200 -0.073 0.000 0.796 333 S HN 0.278 nan 8.310 nan 0.000 0.498 334 S N 0.411 116.011 115.700 -0.166 0.000 2.511 334 S HA 0.444 4.914 4.470 0.001 0.000 0.214 334 S C 1.652 176.180 174.600 -0.119 0.000 0.997 334 S CA 0.503 58.629 58.200 -0.124 0.000 0.908 334 S CB -0.453 62.672 63.200 -0.124 0.000 0.803 334 S HN 1.271 nan 8.310 nan 0.000 0.504 335 G N 2.000 110.660 108.800 -0.233 0.000 2.187 335 G HA2 -0.247 3.714 3.960 0.001 0.000 0.261 335 G HA3 -0.247 3.714 3.960 0.001 0.000 0.261 335 G C 0.099 174.956 174.900 -0.071 0.000 1.000 335 G CA 0.336 45.371 45.100 -0.109 0.000 0.718 335 G HN 0.524 nan 8.290 nan 0.000 0.519 336 R N -1.509 118.844 120.500 -0.244 0.000 2.674 336 R HA 0.587 4.928 4.340 0.001 0.000 0.266 336 R C -0.670 175.485 176.300 -0.241 0.000 1.016 336 R CA -0.912 55.139 56.100 -0.083 0.000 1.062 336 R CB 0.723 31.002 30.300 -0.034 0.000 1.142 336 R HN 0.195 nan 8.270 nan 0.000 0.517 337 W N 0.919 122.218 121.300 -0.002 0.000 2.376 337 W HA 0.380 5.040 4.660 0.001 0.000 0.312 337 W C -0.170 176.329 176.519 -0.035 0.000 1.060 337 W CA -0.368 56.972 57.345 -0.008 0.000 1.221 337 W CB 0.861 30.323 29.460 0.004 0.000 1.281 337 W HN 0.398 nan 8.180 nan 0.000 0.456 338 N N 2.349 121.118 118.700 0.114 0.000 2.342 338 N HA 0.533 5.274 4.740 0.001 0.000 0.293 338 N C -1.475 174.073 175.510 0.064 0.000 1.026 338 N CA -0.698 52.386 53.050 0.057 0.000 0.857 338 N CB 1.257 39.739 38.487 -0.007 0.000 1.256 338 N HN 0.186 nan 8.380 nan 0.000 0.484 339 c N 2.990 121.614 118.600 0.040 0.000 2.317 339 c HA 0.359 4.929 4.570 0.001 0.000 0.306 339 c C 0.389 174.481 174.090 0.004 0.000 1.087 339 c CA -1.084 55.261 56.329 0.025 0.000 1.529 339 c CB -1.371 41.147 42.510 0.014 0.000 1.880 339 c HN 0.627 nan 8.230 nan 0.000 0.417 340 L N 2.454 123.681 121.223 0.006 0.000 2.540 340 L HA 0.029 4.370 4.340 0.001 0.000 0.276 340 L C 1.563 178.422 176.870 -0.018 0.000 1.212 340 L CA 0.120 54.956 54.840 -0.006 0.000 0.893 340 L CB 0.579 42.639 42.059 0.001 0.000 1.138 340 L HN 0.579 nan 8.230 nan 0.000 0.491 341 V N 2.978 122.874 119.914 -0.030 0.000 2.469 341 V HA -0.312 3.808 4.120 0.001 0.000 0.251 341 V C 2.345 178.404 176.094 -0.058 0.000 1.064 341 V CA 1.945 64.219 62.300 -0.044 0.000 1.066 341 V CB -0.919 30.879 31.823 -0.042 0.000 0.667 341 V HN 1.030 nan 8.190 nan 0.000 0.461 342 A N 0.004 122.797 122.820 -0.045 0.000 2.131 342 A HA -0.176 4.144 4.320 0.001 0.000 0.220 342 A C 2.238 179.777 177.584 -0.074 0.000 1.158 342 A CA 1.458 53.463 52.037 -0.052 0.000 0.665 342 A CB -0.431 18.553 19.000 -0.026 0.000 0.795 342 A HN 0.578 nan 8.150 nan 0.000 0.460 343 R N -0.634 119.834 120.500 -0.053 0.000 2.427 343 R HA 0.159 4.500 4.340 0.001 0.000 0.262 343 R C -0.060 176.179 176.300 -0.102 0.000 0.943 343 R CA -0.164 55.922 56.100 -0.023 0.000 1.081 343 R CB 0.246 30.591 30.300 0.075 0.000 1.166 343 R HN 0.581 nan 8.270 nan 0.000 0.534 344 Q N 0.775 120.462 119.800 -0.189 0.000 2.288 344 Q HA 0.125 4.465 4.340 0.001 0.000 0.254 344 Q C -0.646 175.113 176.000 -0.402 0.000 0.932 344 Q CA 0.239 55.938 55.803 -0.174 0.000 0.902 344 Q CB 0.989 29.666 28.738 -0.101 0.000 1.203 344 Q HN 0.234 nan 8.270 nan 0.000 0.415 345 H N 3.001 122.074 119.070 0.005 0.000 2.646 345 H HA 0.352 4.909 4.556 0.001 0.000 0.328 345 H C -0.561 174.742 175.328 -0.042 0.000 0.998 345 H CA -0.458 55.599 56.048 0.016 0.000 1.225 345 H CB 0.902 30.680 29.762 0.025 0.000 1.457 345 H HN 0.500 nan 8.280 nan 0.000 0.505 346 I N 2.332 122.912 120.570 0.017 0.000 2.365 346 I HA 0.110 4.281 4.170 0.001 0.000 0.291 346 I C 0.474 176.537 176.117 -0.090 0.000 1.004 346 I CA 0.028 61.248 61.300 -0.133 0.000 1.311 346 I CB 1.155 39.042 38.000 -0.188 0.000 1.401 346 I HN 0.485 nan 8.210 nan 0.000 0.491 347 E N 8.405 128.500 120.200 -0.175 0.000 2.216 347 E HA 0.534 4.884 4.350 0.001 0.000 0.260 347 E C -1.120 175.389 176.600 -0.151 0.000 0.880 347 E CA -0.716 55.631 56.400 -0.089 0.000 0.765 347 E CB 1.243 30.928 29.700 -0.025 0.000 1.174 347 E HN 0.611 nan 8.360 nan 0.000 0.417 348 M N 1.352 120.900 119.600 -0.087 0.000 2.691 348 M HA 0.651 5.132 4.480 0.001 0.000 0.293 348 M C -1.086 175.218 176.300 0.007 0.000 1.259 348 M CA -0.934 54.346 55.300 -0.034 0.000 0.827 348 M CB 2.302 34.916 32.600 0.025 0.000 1.753 348 M HN 0.256 nan 8.290 nan 0.000 0.465 349 S N -0.429 115.281 115.700 0.017 0.000 2.538 349 S HA 0.532 5.002 4.470 0.001 0.000 0.288 349 S C 0.349 174.942 174.600 -0.011 0.000 1.108 349 S CA -0.109 58.083 58.200 -0.014 0.000 0.971 349 S CB 1.691 64.846 63.200 -0.075 0.000 1.041 349 S HN 0.887 nan 8.310 nan 0.000 0.483 350 T N 0.038 114.585 114.554 -0.012 0.000 3.065 350 T HA 0.057 4.407 4.350 0.001 0.000 0.252 350 T C 1.438 176.119 174.700 -0.033 0.000 1.099 350 T CA 0.921 63.015 62.100 -0.010 0.000 1.063 350 T CB -0.309 68.559 68.868 0.000 0.000 0.948 350 T HN 0.673 nan 8.240 nan 0.000 0.506 351 T N -2.399 112.121 114.554 -0.056 0.000 2.971 351 T HA 0.617 4.968 4.350 0.001 0.000 0.252 351 T C 1.093 175.622 174.700 -0.286 0.000 1.022 351 T CA 0.335 62.400 62.100 -0.060 0.000 0.980 351 T CB 0.549 69.461 68.868 0.073 0.000 1.044 351 T HN 0.579 nan 8.240 nan 0.000 0.501 352 G N 0.425 108.883 108.800 -0.569 0.000 2.726 352 G HA2 0.491 4.452 3.960 0.001 0.000 0.198 352 G HA3 0.491 4.452 3.960 0.001 0.000 0.198 352 G C -1.629 173.004 174.900 -0.445 0.000 1.195 352 G CA -0.573 43.981 45.100 -0.909 0.000 0.951 352 G HN 0.484 nan 8.290 nan 0.000 0.532 353 W N -0.180 120.849 121.300 -0.451 0.000 2.353 353 W HA 0.758 5.419 4.660 0.001 0.000 0.377 353 W C -0.438 176.024 176.519 -0.095 0.000 1.375 353 W CA -1.288 55.925 57.345 -0.220 0.000 1.503 353 W CB 0.692 29.995 29.460 -0.261 0.000 1.345 353 W HN 0.262 nan 8.180 nan 0.000 0.683 354 V N 2.907 122.899 119.914 0.130 0.000 2.407 354 V HA 0.713 4.834 4.120 0.001 0.000 0.278 354 V C 0.733 176.906 176.094 0.132 0.000 1.037 354 V CA 0.338 62.674 62.300 0.060 0.000 0.900 354 V CB 0.012 31.868 31.823 0.054 0.000 0.983 354 V HN 1.285 nan 8.190 nan 0.000 0.459 355 G N 5.055 113.894 108.800 0.064 0.000 2.756 355 G HA2 -0.177 3.784 3.960 0.001 0.000 0.678 355 G HA3 -0.177 3.784 3.960 0.001 0.000 0.678 355 G C 0.282 175.288 174.900 0.177 0.000 1.349 355 G CA 0.151 45.319 45.100 0.113 0.000 0.847 355 G HN 0.636 nan 8.290 nan 0.000 0.548 356 R N -0.675 119.936 120.500 0.185 0.000 2.061 356 R HA 0.114 4.455 4.340 0.001 0.000 0.230 356 R C 2.038 178.412 176.300 0.125 0.000 1.140 356 R CA 2.231 58.435 56.100 0.174 0.000 0.940 356 R CB -0.127 30.295 30.300 0.204 0.000 0.839 356 R HN 0.481 nan 8.270 nan 0.000 0.429 357 F N -0.727 119.367 119.950 0.240 0.000 2.746 357 F HA 0.263 4.791 4.527 0.001 0.000 0.313 357 F C 0.307 176.137 175.800 0.050 0.000 1.095 357 F CA -0.509 57.579 58.000 0.147 0.000 1.224 357 F CB 0.762 39.844 39.000 0.137 0.000 1.060 357 F HN -0.072 nan 8.300 nan 0.000 0.584 358 R N -1.357 119.280 120.500 0.229 0.000 2.728 358 R HA 0.415 4.756 4.340 0.001 0.000 0.274 358 R C -3.369 172.991 176.300 0.100 0.000 1.032 358 R CA -1.973 54.185 56.100 0.096 0.000 0.866 358 R CB 0.044 30.343 30.300 -0.002 0.000 1.263 358 R HN -0.370 nan 8.270 nan 0.000 0.475 359 P HA -0.012 nan 4.420 nan 0.000 0.265 359 P C -0.323 177.000 177.300 0.040 0.000 1.187 359 P CA 0.031 63.155 63.100 0.040 0.000 0.766 359 P CB 0.690 32.390 31.700 -0.000 0.000 0.820 360 S N 1.539 117.275 115.700 0.060 0.000 2.600 360 S HA 0.169 4.639 4.470 0.001 0.000 0.265 360 S C 0.223 174.850 174.600 0.044 0.000 1.325 360 S CA -0.773 57.480 58.200 0.087 0.000 1.002 360 S CB 0.346 63.619 63.200 0.122 0.000 0.921 360 S HN 0.529 nan 8.310 nan 0.000 0.554 361 E N 1.047 121.293 120.200 0.077 0.000 2.354 361 E HA 0.324 4.674 4.350 0.001 0.000 0.269 361 E C -2.711 173.894 176.600 0.008 0.000 1.036 361 E CA -2.070 54.334 56.400 0.006 0.000 0.876 361 E CB -0.041 29.663 29.700 0.007 0.000 1.009 361 E HN 0.417 nan 8.360 nan 0.000 0.416 362 P HA 0.204 nan 4.420 nan 0.000 0.281 362 P C -0.724 176.485 177.300 -0.152 0.000 1.249 362 P CA -0.301 62.686 63.100 -0.188 0.000 0.810 362 P CB 0.778 32.014 31.700 -0.774 0.000 1.008 363 H N 1.694 120.782 119.070 0.030 0.000 2.762 363 H HA 0.292 4.849 4.556 0.001 0.000 0.310 363 H C -0.352 175.090 175.328 0.191 0.000 1.004 363 H CA -0.342 55.806 56.048 0.165 0.000 1.267 363 H CB 0.283 30.169 29.762 0.207 0.000 1.437 363 H HN 0.311 nan 8.280 nan 0.000 0.498 364 F N 1.926 122.051 119.950 0.291 0.000 2.389 364 F HA 0.048 4.576 4.527 0.001 0.000 0.337 364 F C 1.652 177.639 175.800 0.312 0.000 1.112 364 F CA -0.385 57.795 58.000 0.300 0.000 1.192 364 F CB 1.026 40.133 39.000 0.180 0.000 1.185 364 F HN 0.392 nan 8.300 nan 0.000 0.552 365 T N 0.402 115.257 114.554 0.502 0.000 2.701 365 T HA 0.080 4.431 4.350 0.001 0.000 0.303 365 T C 1.225 176.118 174.700 0.321 0.000 1.030 365 T CA -0.810 61.521 62.100 0.386 0.000 1.010 365 T CB 0.600 69.681 68.868 0.355 0.000 1.007 365 T HN 0.380 nan 8.240 nan 0.000 0.532 366 L N 1.655 123.022 121.223 0.239 0.000 2.043 366 L HA -0.052 4.289 4.340 0.001 0.000 0.212 366 L C 2.370 179.349 176.870 0.181 0.000 1.075 366 L CA 2.167 57.121 54.840 0.190 0.000 0.752 366 L CB -1.517 40.630 42.059 0.148 0.000 0.891 366 L HN 0.959 nan 8.230 nan 0.000 0.432 367 D N -1.724 118.787 120.400 0.185 0.000 2.363 367 D HA 0.058 4.699 4.640 0.001 0.000 0.220 367 D C 1.585 178.000 176.300 0.191 0.000 0.994 367 D CA 0.779 54.879 54.000 0.166 0.000 0.890 367 D CB -0.423 40.464 40.800 0.144 0.000 0.906 367 D HN 0.299 nan 8.370 nan 0.000 0.530 368 G N 0.573 109.531 108.800 0.264 0.000 2.203 368 G HA2 -0.366 3.595 3.960 0.001 0.000 0.263 368 G HA3 -0.366 3.595 3.960 0.001 0.000 0.263 368 G C 0.889 176.014 174.900 0.375 0.000 1.012 368 G CA 0.474 45.773 45.100 0.332 0.000 0.749 368 G HN 0.364 nan 8.290 nan 0.000 0.512 369 N N -0.036 118.847 118.700 0.304 0.000 2.422 369 N HA 0.165 4.906 4.740 0.001 0.000 0.181 369 N C 1.031 176.678 175.510 0.228 0.000 1.080 369 N CA 1.130 54.323 53.050 0.239 0.000 0.893 369 N CB 0.405 38.989 38.487 0.160 0.000 0.973 369 N HN 0.905 nan 8.380 nan 0.000 0.456 370 S N -0.544 115.322 115.700 0.277 0.000 2.625 370 S HA 0.763 5.233 4.470 0.001 0.000 0.271 370 S C -0.972 173.718 174.600 0.151 0.000 1.161 370 S CA -0.993 57.255 58.200 0.079 0.000 0.820 370 S CB 1.797 64.958 63.200 -0.064 0.000 1.137 370 S HN 0.122 nan 8.310 nan 0.000 0.470 371 F N -1.912 117.869 119.950 -0.281 0.000 2.713 371 F HA 0.819 5.347 4.527 0.001 0.000 0.311 371 F C -2.268 173.360 175.800 -0.285 0.000 1.141 371 F CA -1.492 56.279 58.000 -0.383 0.000 0.939 371 F CB 0.642 38.996 39.000 -1.077 0.000 1.325 371 F HN 0.606 nan 8.300 nan 0.000 0.453 372 Y N 1.209 121.649 120.300 0.232 0.000 2.429 372 Y HA 0.689 5.240 4.550 0.001 0.000 0.342 372 Y C -0.278 175.774 175.900 0.254 0.000 1.004 372 Y CA -0.880 57.336 58.100 0.194 0.000 1.075 372 Y CB 2.216 40.740 38.460 0.108 0.000 1.214 372 Y HN 0.710 nan 8.280 nan 0.000 0.455 373 K N 3.258 123.870 120.400 0.353 0.000 2.543 373 K HA 0.496 4.817 4.320 0.001 0.000 0.255 373 K C -1.719 175.015 176.600 0.224 0.000 0.934 373 K CA -0.553 55.910 56.287 0.293 0.000 0.810 373 K CB 1.584 34.236 32.500 0.252 0.000 1.315 373 K HN 0.719 nan 8.250 nan 0.000 0.433 374 I N 6.371 127.047 120.570 0.177 0.000 2.416 374 I HA 0.259 4.430 4.170 0.001 0.000 0.288 374 I C 0.212 176.421 176.117 0.152 0.000 1.051 374 I CA -0.275 61.110 61.300 0.142 0.000 1.375 374 I CB 0.356 38.421 38.000 0.108 0.000 1.407 374 I HN 0.472 nan 8.210 nan 0.000 0.516 375 I N 1.486 122.170 120.570 0.190 0.000 2.994 375 I HA 0.482 4.652 4.170 0.001 0.000 0.306 375 I C -0.414 175.830 176.117 0.211 0.000 1.195 375 I CA -0.841 60.570 61.300 0.185 0.000 1.001 375 I CB 2.132 40.253 38.000 0.201 0.000 1.244 375 I HN 0.215 nan 8.210 nan 0.000 0.437 376 S N 3.425 119.186 115.700 0.103 0.000 2.516 376 S HA 0.145 4.616 4.470 0.001 0.000 0.282 376 S C 0.068 174.711 174.600 0.072 0.000 1.286 376 S CA -0.492 57.715 58.200 0.012 0.000 1.066 376 S CB -0.160 62.987 63.200 -0.088 0.000 0.884 376 S HN 0.794 nan 8.310 nan 0.000 0.491 377 N N 2.623 121.253 118.700 -0.117 0.000 2.322 377 N HA 0.093 4.834 4.740 0.001 0.000 0.270 377 N C 0.700 176.096 175.510 -0.189 0.000 1.286 377 N CA -0.451 52.366 53.050 -0.390 0.000 0.948 377 N CB 0.211 38.031 38.487 -1.112 0.000 1.164 377 N HN 0.382 nan 8.380 nan 0.000 0.551 378 E N -0.508 119.579 120.200 -0.189 0.000 2.333 378 E HA -0.133 4.217 4.350 0.001 0.000 0.198 378 E C 0.486 177.024 176.600 -0.103 0.000 1.007 378 E CA 0.899 57.237 56.400 -0.102 0.000 0.845 378 E CB -0.081 29.572 29.700 -0.078 0.000 0.766 378 E HN 0.647 nan 8.360 nan 0.000 0.507 379 E N -0.476 119.656 120.200 -0.113 0.000 2.479 379 E HA 0.102 4.453 4.350 0.001 0.000 0.193 379 E C 1.208 177.747 176.600 -0.101 0.000 1.049 379 E CA 0.560 56.937 56.400 -0.040 0.000 0.870 379 E CB 0.423 30.160 29.700 0.062 0.000 0.944 379 E HN 0.278 nan 8.360 nan 0.000 0.492 380 G N 1.188 109.882 108.800 -0.176 0.000 2.136 380 G HA2 -0.291 3.669 3.960 0.001 0.000 0.242 380 G HA3 -0.291 3.669 3.960 0.001 0.000 0.242 380 G C -0.349 174.269 174.900 -0.470 0.000 0.989 380 G CA 0.046 44.952 45.100 -0.323 0.000 0.682 380 G HN 0.245 nan 8.290 nan 0.000 0.522 381 Y N 0.186 120.355 120.300 -0.218 0.000 2.342 381 Y HA 0.609 5.160 4.550 0.001 0.000 0.334 381 Y C 1.246 176.984 175.900 -0.270 0.000 1.067 381 Y CA -0.872 57.084 58.100 -0.240 0.000 1.128 381 Y CB 0.994 39.330 38.460 -0.207 0.000 1.200 381 Y HN 0.079 nan 8.280 nan 0.000 0.464 382 R N 3.790 124.159 120.500 -0.219 0.000 2.248 382 R HA 0.260 4.601 4.340 0.001 0.000 0.328 382 R C -0.795 175.219 176.300 -0.477 0.000 1.067 382 R CA -0.084 55.891 56.100 -0.208 0.000 0.924 382 R CB 0.119 30.351 30.300 -0.113 0.000 1.013 382 R HN 0.661 nan 8.270 nan 0.000 0.454 383 H N 1.718 120.766 119.070 -0.036 0.000 2.949 383 H HA 0.345 4.902 4.556 0.001 0.000 0.356 383 H C -0.199 175.197 175.328 0.113 0.000 1.212 383 H CA -0.939 55.065 56.048 -0.074 0.000 1.136 383 H CB 1.693 31.306 29.762 -0.249 0.000 1.869 383 H HN 0.322 nan 8.280 nan 0.000 0.556 384 I N 1.284 121.936 120.570 0.136 0.000 2.371 384 I HA 0.067 4.238 4.170 0.001 0.000 0.290 384 I C 0.369 176.510 176.117 0.039 0.000 1.028 384 I CA 0.036 61.371 61.300 0.058 0.000 1.345 384 I CB 0.444 38.391 38.000 -0.087 0.000 1.407 384 I HN 0.155 nan 8.210 nan 0.000 0.501 385 c N 7.052 125.598 118.600 -0.090 0.000 2.376 385 c HA 0.433 5.004 4.570 0.001 0.000 0.335 385 c C -0.446 173.497 174.090 -0.245 0.000 1.229 385 c CA -0.445 55.604 56.329 -0.467 0.000 1.867 385 c CB 0.893 42.837 42.510 -0.944 0.000 2.319 385 c HN 0.635 nan 8.230 nan 0.000 0.515 386 Y N 4.548 124.513 120.300 -0.557 0.000 2.342 386 Y HA 0.641 5.192 4.550 0.001 0.000 0.338 386 Y C -1.016 174.427 175.900 -0.763 0.000 0.965 386 Y CA -1.130 56.589 58.100 -0.636 0.000 1.159 386 Y CB 0.230 38.404 38.460 -0.477 0.000 1.157 386 Y HN 0.628 nan 8.280 nan 0.000 0.486 387 F N 4.381 123.594 119.950 -1.228 0.000 2.450 387 F HA 0.447 4.974 4.527 0.001 0.000 0.332 387 F C -0.035 175.033 175.800 -1.220 0.000 1.093 387 F CA -0.979 56.252 58.000 -1.282 0.000 1.003 387 F CB 1.407 39.253 39.000 -1.924 0.000 1.151 387 F HN 0.284 nan 8.300 nan 0.000 0.474 388 Q N 3.218 122.672 119.800 -0.576 0.000 2.235 388 Q HA 0.275 4.615 4.340 0.001 0.000 0.250 388 Q C 1.245 177.230 176.000 -0.024 0.000 0.909 388 Q CA -0.327 55.291 55.803 -0.308 0.000 0.910 388 Q CB 1.703 30.314 28.738 -0.211 0.000 1.223 388 Q HN 0.873 nan 8.270 nan 0.000 0.432 389 I N -1.173 119.475 120.570 0.131 0.000 2.454 389 I HA -0.178 3.993 4.170 0.001 0.000 0.254 389 I C 0.470 176.808 176.117 0.369 0.000 1.156 389 I CA 1.505 63.026 61.300 0.368 0.000 1.433 389 I CB -0.085 38.131 38.000 0.361 0.000 1.082 389 I HN 0.359 nan 8.210 nan 0.000 0.432 390 D N 0.522 121.030 120.400 0.181 0.000 2.670 390 D HA 0.251 4.892 4.640 0.001 0.000 0.255 390 D C -0.136 176.194 176.300 0.049 0.000 1.286 390 D CA -0.344 53.711 54.000 0.093 0.000 0.830 390 D CB 0.034 40.866 40.800 0.055 0.000 1.065 390 D HN 0.347 nan 8.370 nan 0.000 0.486 391 K N 0.387 120.842 120.400 0.091 0.000 2.378 391 K HA 0.262 4.582 4.320 0.001 0.000 0.252 391 K C 0.496 177.154 176.600 0.097 0.000 0.931 391 K CA -0.713 55.594 56.287 0.033 0.000 0.794 391 K CB 3.083 35.561 32.500 -0.037 0.000 1.181 391 K HN -0.174 nan 8.250 nan 0.000 0.425 392 K N 0.987 121.397 120.400 0.016 0.000 2.062 392 K HA -0.049 4.272 4.320 0.001 0.000 0.205 392 K C -0.197 176.411 176.600 0.013 0.000 1.051 392 K CA 1.267 57.572 56.287 0.029 0.000 0.941 392 K CB 0.285 32.774 32.500 -0.019 0.000 0.719 392 K HN 0.504 nan 8.250 nan 0.000 0.440 393 D N 1.100 121.453 120.400 -0.079 0.000 2.264 393 D HA 0.060 4.701 4.640 0.001 0.000 0.250 393 D C -0.070 176.014 176.300 -0.360 0.000 1.113 393 D CA -0.230 53.663 54.000 -0.179 0.000 0.871 393 D CB 1.128 41.844 40.800 -0.140 0.000 1.167 393 D HN 0.300 nan 8.370 nan 0.000 0.447 394 c N 0.620 118.851 118.600 -0.616 0.000 2.349 394 c HA 0.787 5.357 4.570 0.001 0.000 0.361 394 c C 0.293 173.996 174.090 -0.645 0.000 1.189 394 c CA -0.596 55.159 56.329 -0.956 0.000 2.155 394 c CB 0.992 42.310 42.510 -1.986 0.000 2.336 394 c HN 0.469 nan 8.230 nan 0.000 0.540 395 T N 2.136 116.361 114.554 -0.547 0.000 2.779 395 T HA 0.462 4.813 4.350 0.001 0.000 0.280 395 T C -0.673 173.826 174.700 -0.335 0.000 0.987 395 T CA 0.140 62.067 62.100 -0.288 0.000 0.966 395 T CB 0.360 69.195 68.868 -0.056 0.000 0.933 395 T HN 0.494 nan 8.240 nan 0.000 0.442 396 F N 3.501 123.335 119.950 -0.192 0.000 2.504 396 F HA 0.237 4.765 4.527 0.001 0.000 0.369 396 F C 1.640 177.272 175.800 -0.280 0.000 1.082 396 F CA -0.784 57.086 58.000 -0.216 0.000 1.216 396 F CB 0.369 39.243 39.000 -0.209 0.000 1.108 396 F HN 0.584 nan 8.300 nan 0.000 0.554 397 I N -0.351 120.081 120.570 -0.230 0.000 3.645 397 I HA 0.166 4.336 4.170 0.001 0.000 0.300 397 I C 0.471 176.383 176.117 -0.341 0.000 1.260 397 I CA 0.234 61.152 61.300 -0.637 0.000 1.365 397 I CB 0.014 37.370 38.000 -1.072 0.000 1.077 397 I HN 0.491 nan 8.210 nan 0.000 0.439 398 T N 0.460 114.897 114.554 -0.196 0.000 2.930 398 T HA 0.713 5.064 4.350 0.001 0.000 0.290 398 T C -0.633 173.738 174.700 -0.549 0.000 1.052 398 T CA -0.710 61.270 62.100 -0.200 0.000 1.017 398 T CB 2.487 71.306 68.868 -0.082 0.000 1.137 398 T HN 0.508 nan 8.240 nan 0.000 0.511 399 K N -0.346 119.555 120.400 -0.832 0.000 2.597 399 K HA 0.742 5.063 4.320 0.001 0.000 0.282 399 K C -0.487 175.462 176.600 -1.085 0.000 0.975 399 K CA -0.922 54.580 56.287 -1.308 0.000 0.867 399 K CB 1.324 33.432 32.500 -0.652 0.000 1.465 399 K HN 1.542 nan 8.250 nan 0.000 0.417 400 G N 0.057 108.207 108.800 -1.083 0.000 2.351 400 G HA2 0.090 4.051 3.960 0.001 0.000 0.353 400 G HA3 0.090 4.051 3.960 0.001 0.000 0.353 400 G C -0.825 173.502 174.900 -0.955 0.000 1.358 400 G CA -0.392 44.264 45.100 -0.740 0.000 0.995 400 G HN 1.035 nan 8.290 nan 0.000 0.611 401 T N -0.375 113.749 114.554 -0.716 0.000 4.098 401 T HA 0.567 4.918 4.350 0.001 0.000 0.291 401 T C 0.180 174.621 174.700 -0.431 0.000 1.440 401 T CA 0.566 62.025 62.100 -1.068 0.000 1.164 401 T CB -0.978 67.550 68.868 -0.566 0.000 1.313 401 T HN 1.584 nan 8.240 nan 0.000 0.951 402 W N -0.308 120.783 121.300 -0.348 0.000 2.926 402 W HA 0.591 5.252 4.660 0.001 0.000 0.361 402 W C -1.643 174.845 176.519 -0.052 0.000 1.195 402 W CA -0.942 56.361 57.345 -0.069 0.000 1.177 402 W CB 0.596 30.017 29.460 -0.065 0.000 1.453 402 W HN 0.206 nan 8.180 nan 0.000 0.571 403 E N 0.883 121.264 120.200 0.303 0.000 2.317 403 E HA 0.447 4.797 4.350 0.001 0.000 0.270 403 E C -1.051 175.672 176.600 0.204 0.000 0.885 403 E CA -1.168 55.223 56.400 -0.015 0.000 0.760 403 E CB 3.415 33.146 29.700 0.051 0.000 1.227 403 E HN 0.179 nan 8.360 nan 0.000 0.434 404 V N 3.956 123.858 119.914 -0.020 0.000 2.508 404 V HA 0.002 4.122 4.120 0.001 0.000 0.281 404 V C 1.200 177.377 176.094 0.140 0.000 1.041 404 V CA 0.055 62.432 62.300 0.129 0.000 1.016 404 V CB 0.544 32.335 31.823 -0.053 0.000 0.984 404 V HN 0.697 nan 8.190 nan 0.000 0.478 405 I N 3.070 123.751 120.570 0.184 0.000 2.494 405 I HA 0.263 4.433 4.170 0.001 0.000 0.250 405 I C 1.111 177.333 176.117 0.174 0.000 1.112 405 I CA 1.164 62.562 61.300 0.164 0.000 1.438 405 I CB -0.644 37.389 38.000 0.054 0.000 1.111 405 I HN 0.748 nan 8.210 nan 0.000 0.431 406 G N 0.787 109.691 108.800 0.174 0.000 2.703 406 G HA2 0.559 4.519 3.960 0.001 0.000 0.294 406 G HA3 0.559 4.519 3.960 0.001 0.000 0.294 406 G C -1.230 173.754 174.900 0.140 0.000 1.451 406 G CA -0.536 44.661 45.100 0.162 0.000 0.869 406 G HN -0.038 nan 8.290 nan 0.000 0.516 407 I N 1.533 122.117 120.570 0.023 0.000 2.371 407 I HA 0.272 4.443 4.170 0.001 0.000 0.290 407 I C 0.670 176.723 176.117 -0.108 0.000 1.028 407 I CA -0.482 60.727 61.300 -0.150 0.000 1.345 407 I CB 1.672 39.314 38.000 -0.596 0.000 1.407 407 I HN 0.495 nan 8.210 nan 0.000 0.501 408 E N 4.683 124.875 120.200 -0.014 0.000 2.290 408 E HA 0.362 4.712 4.350 0.001 0.000 0.199 408 E C 0.097 176.632 176.600 -0.109 0.000 0.912 408 E CA 0.236 56.672 56.400 0.059 0.000 0.924 408 E CB 0.897 30.711 29.700 0.191 0.000 0.901 408 E HN 0.673 nan 8.360 nan 0.000 0.487 409 A N 0.692 123.336 122.820 -0.294 0.000 2.604 409 A HA 0.631 4.952 4.320 0.001 0.000 0.295 409 A C -1.945 175.564 177.584 -0.125 0.000 1.067 409 A CA -0.598 51.202 52.037 -0.394 0.000 0.683 409 A CB 1.415 19.647 19.000 -1.280 0.000 1.281 409 A HN 0.040 nan 8.150 nan 0.000 0.407 410 L N 1.359 122.559 121.223 -0.038 0.000 2.438 410 L HA 0.809 5.149 4.340 0.001 0.000 0.270 410 L C 0.164 177.070 176.870 0.061 0.000 0.972 410 L CA 0.474 55.321 54.840 0.011 0.000 0.831 410 L CB 2.042 44.135 42.059 0.057 0.000 1.273 410 L HN 1.192 nan 8.230 nan 0.000 0.405 411 T N -0.329 114.272 114.554 0.079 0.000 2.883 411 T HA 0.421 4.772 4.350 0.001 0.000 0.284 411 T C 1.024 175.757 174.700 0.055 0.000 1.041 411 T CA 0.089 62.247 62.100 0.096 0.000 1.007 411 T CB 1.229 70.192 68.868 0.158 0.000 1.220 411 T HN 0.655 nan 8.240 nan 0.000 0.552 412 S N -0.373 115.360 115.700 0.055 0.000 2.447 412 S HA -0.075 4.396 4.470 0.001 0.000 0.233 412 S C 0.889 175.459 174.600 -0.050 0.000 1.006 412 S CA 1.037 59.253 58.200 0.028 0.000 0.957 412 S CB -0.531 62.693 63.200 0.039 0.000 0.773 412 S HN 0.715 nan 8.310 nan 0.000 0.507 413 D N -0.567 119.782 120.400 -0.085 0.000 2.379 413 D HA 0.258 4.899 4.640 0.001 0.000 0.218 413 D C -0.419 175.520 176.300 -0.602 0.000 1.006 413 D CA 0.634 54.449 54.000 -0.309 0.000 0.893 413 D CB 0.220 40.852 40.800 -0.279 0.000 1.019 413 D HN 0.458 nan 8.370 nan 0.000 0.503 414 Y N -0.197 120.021 120.300 -0.137 0.000 2.524 414 Y HA 0.461 5.012 4.550 0.001 0.000 0.347 414 Y C -0.594 175.090 175.900 -0.360 0.000 1.005 414 Y CA -1.048 56.867 58.100 -0.309 0.000 1.025 414 Y CB 2.586 40.724 38.460 -0.536 0.000 1.275 414 Y HN -0.273 nan 8.280 nan 0.000 0.460 415 L N 2.918 123.992 121.223 -0.249 0.000 2.322 415 L HA 0.612 4.953 4.340 0.001 0.000 0.281 415 L C -1.830 174.876 176.870 -0.272 0.000 1.014 415 L CA -0.646 54.034 54.840 -0.266 0.000 0.815 415 L CB 0.977 42.799 42.059 -0.395 0.000 1.247 415 L HN 0.616 nan 8.230 nan 0.000 0.421 416 Y N 4.821 125.037 120.300 -0.141 0.000 2.331 416 Y HA 0.514 5.065 4.550 0.001 0.000 0.338 416 Y C -0.535 175.344 175.900 -0.035 0.000 0.992 416 Y CA -0.330 57.671 58.100 -0.164 0.000 1.121 416 Y CB 1.269 39.497 38.460 -0.386 0.000 1.184 416 Y HN 0.528 nan 8.280 nan 0.000 0.469 417 Y N 1.101 121.443 120.300 0.070 0.000 2.588 417 Y HA 0.763 5.314 4.550 0.001 0.000 0.343 417 Y C -1.628 174.345 175.900 0.122 0.000 1.065 417 Y CA -1.824 56.313 58.100 0.061 0.000 1.038 417 Y CB 1.073 39.546 38.460 0.021 0.000 1.297 417 Y HN 0.272 nan 8.280 nan 0.000 0.467 418 I N 3.314 124.029 120.570 0.241 0.000 2.385 418 I HA 0.557 4.728 4.170 0.001 0.000 0.294 418 I C 0.079 176.371 176.117 0.291 0.000 0.988 418 I CA -0.156 61.243 61.300 0.166 0.000 1.265 418 I CB 1.370 39.424 38.000 0.091 0.000 1.388 418 I HN 0.885 nan 8.210 nan 0.000 0.480 419 S N 3.980 119.817 115.700 0.229 0.000 2.638 419 S HA 0.442 4.912 4.470 0.001 0.000 0.274 419 S C -0.296 174.350 174.600 0.078 0.000 1.157 419 S CA -0.802 57.517 58.200 0.198 0.000 0.826 419 S CB 1.910 65.228 63.200 0.197 0.000 1.139 419 S HN 0.598 nan 8.310 nan 0.000 0.474 420 N N -0.219 118.524 118.700 0.072 0.000 2.321 420 N HA 0.148 4.889 4.740 0.001 0.000 0.242 420 N C 0.596 176.077 175.510 -0.048 0.000 1.141 420 N CA -0.251 52.804 53.050 0.009 0.000 0.864 420 N CB 0.196 38.682 38.487 -0.002 0.000 1.100 420 N HN 0.806 nan 8.380 nan 0.000 0.510 421 E N -0.154 119.860 120.200 -0.309 0.000 2.077 421 E HA -0.218 4.133 4.350 0.001 0.000 0.193 421 E C -0.370 176.087 176.600 -0.239 0.000 0.989 421 E CA 0.493 56.472 56.400 -0.702 0.000 0.800 421 E CB -0.069 28.654 29.700 -1.628 0.000 0.746 421 E HN 0.428 nan 8.360 nan 0.000 0.452 422 Y N 1.796 122.007 120.300 -0.148 0.000 2.721 422 Y HA -0.105 4.446 4.550 0.001 0.000 0.329 422 Y C 0.407 176.268 175.900 -0.064 0.000 1.211 422 Y CA 0.699 58.760 58.100 -0.066 0.000 1.512 422 Y CB 0.125 38.571 38.460 -0.023 0.000 1.249 422 Y HN 0.052 nan 8.280 nan 0.000 0.549 423 K N 3.522 123.629 120.400 -0.489 0.000 3.048 423 K HA -0.246 4.074 4.320 0.001 0.000 0.274 423 K C 0.822 177.338 176.600 -0.139 0.000 1.098 423 K CA 0.813 56.869 56.287 -0.384 0.000 0.807 423 K CB -1.784 30.418 32.500 -0.497 0.000 1.217 423 K HN 1.269 nan 8.250 nan 0.000 0.477 424 G N 0.707 109.447 108.800 -0.100 0.000 2.283 424 G HA2 -0.329 3.632 3.960 0.001 0.000 0.280 424 G HA3 -0.329 3.632 3.960 0.001 0.000 0.280 424 G C 0.001 174.872 174.900 -0.049 0.000 1.029 424 G CA 0.886 45.973 45.100 -0.022 0.000 0.840 424 G HN 0.346 nan 8.290 nan 0.000 0.505 425 M N 0.023 119.526 119.600 -0.161 0.000 2.055 425 M HA 0.252 4.733 4.480 0.001 0.000 0.347 425 M C -1.316 174.745 176.300 -0.400 0.000 1.123 425 M CA -2.090 52.955 55.300 -0.425 0.000 1.035 425 M CB 1.776 34.187 32.600 -0.315 0.000 1.484 425 M HN -0.131 nan 8.290 nan 0.000 0.428 426 P HA -0.056 nan 4.420 nan 0.000 0.222 426 P C 1.109 178.287 177.300 -0.202 0.000 1.147 426 P CA 0.966 63.906 63.100 -0.267 0.000 0.790 426 P CB 0.193 31.742 31.700 -0.252 0.000 0.780 427 G N -1.025 107.596 108.800 -0.299 0.000 3.371 427 G HA2 0.341 4.302 3.960 0.001 0.000 0.248 427 G HA3 0.341 4.302 3.960 0.001 0.000 0.248 427 G C 0.547 175.471 174.900 0.040 0.000 1.161 427 G CA 0.003 45.054 45.100 -0.081 0.000 0.796 427 G HN 0.374 nan 8.290 nan 0.000 0.539 428 G N -0.085 108.678 108.800 -0.062 0.000 2.441 428 G HA2 0.658 4.619 3.960 0.001 0.000 0.334 428 G HA3 0.658 4.619 3.960 0.001 0.000 0.334 428 G C -0.865 173.928 174.900 -0.179 0.000 1.161 428 G CA -0.763 44.329 45.100 -0.014 0.000 0.935 428 G HN 0.085 nan 8.290 nan 0.000 0.488 429 R N 1.084 121.435 120.500 -0.248 0.000 2.533 429 R HA 0.420 4.761 4.340 0.001 0.000 0.288 429 R C -1.262 175.000 176.300 -0.063 0.000 1.039 429 R CA -0.799 55.123 56.100 -0.296 0.000 0.909 429 R CB 2.072 31.947 30.300 -0.708 0.000 1.195 429 R HN 0.604 nan 8.270 nan 0.000 0.438 430 N N 1.578 120.262 118.700 -0.026 0.000 2.284 430 N HA 0.347 5.088 4.740 0.001 0.000 0.289 430 N C -1.184 174.194 175.510 -0.220 0.000 1.179 430 N CA -0.852 52.099 53.050 -0.164 0.000 0.774 430 N CB 2.726 41.003 38.487 -0.349 0.000 1.548 430 N HN 0.247 nan 8.380 nan 0.000 0.473 431 L N 2.077 123.030 121.223 -0.451 0.000 2.305 431 L HA 0.437 4.778 4.340 0.001 0.000 0.281 431 L C -1.370 175.108 176.870 -0.653 0.000 1.085 431 L CA 0.088 54.684 54.840 -0.405 0.000 0.813 431 L CB -0.142 41.677 42.059 -0.399 0.000 1.157 431 L HN 0.404 nan 8.230 nan 0.000 0.436 432 Y N 3.442 123.387 120.300 -0.591 0.000 2.570 432 Y HA 0.618 5.168 4.550 0.001 0.000 0.345 432 Y C -0.414 175.118 175.900 -0.612 0.000 1.014 432 Y CA -0.885 56.811 58.100 -0.674 0.000 1.063 432 Y CB 1.662 39.516 38.460 -1.009 0.000 1.272 432 Y HN 0.549 nan 8.280 nan 0.000 0.477 433 K N 1.855 122.073 120.400 -0.303 0.000 2.371 433 K HA 0.780 5.101 4.320 0.001 0.000 0.251 433 K C -1.809 174.748 176.600 -0.071 0.000 0.934 433 K CA -0.761 55.294 56.287 -0.387 0.000 0.798 433 K CB 2.855 34.868 32.500 -0.811 0.000 1.204 433 K HN 0.753 nan 8.250 nan 0.000 0.427 434 I N 1.873 122.480 120.570 0.061 0.000 2.465 434 I HA 0.149 4.320 4.170 0.001 0.000 0.291 434 I C -0.767 175.445 176.117 0.158 0.000 1.014 434 I CA -0.800 60.606 61.300 0.176 0.000 1.093 434 I CB 2.008 40.133 38.000 0.209 0.000 1.267 434 I HN 0.832 nan 8.210 nan 0.000 0.431 435 Q N 6.442 126.322 119.800 0.133 0.000 2.281 435 Q HA 0.177 4.518 4.340 0.001 0.000 0.267 435 Q C 0.288 176.230 176.000 -0.097 0.000 1.053 435 Q CA -0.158 55.549 55.803 -0.159 0.000 0.905 435 Q CB 1.054 29.732 28.738 -0.099 0.000 1.195 435 Q HN 0.829 nan 8.270 nan 0.000 0.398 436 L N 2.553 123.657 121.223 -0.199 0.000 2.275 436 L HA -0.159 4.182 4.340 0.001 0.000 0.215 436 L C 2.170 178.938 176.870 -0.170 0.000 1.119 436 L CA 1.221 56.026 54.840 -0.058 0.000 0.790 436 L CB -0.317 41.668 42.059 -0.122 0.000 0.919 436 L HN 0.664 nan 8.230 nan 0.000 0.443 437 S N -2.588 112.976 115.700 -0.227 0.000 2.528 437 S HA -0.029 4.442 4.470 0.001 0.000 0.219 437 S C 0.515 174.944 174.600 -0.286 0.000 0.985 437 S CA 0.025 58.080 58.200 -0.243 0.000 0.914 437 S CB 0.117 63.210 63.200 -0.178 0.000 0.776 437 S HN 0.343 nan 8.310 nan 0.000 0.526 438 D N -0.123 120.122 120.400 -0.259 0.000 2.351 438 D HA 0.219 4.860 4.640 0.001 0.000 0.235 438 D C -0.505 175.762 176.300 -0.055 0.000 1.331 438 D CA -0.548 53.336 54.000 -0.194 0.000 0.959 438 D CB 0.093 40.832 40.800 -0.102 0.000 1.432 438 D HN -0.020 nan 8.370 nan 0.000 0.544 439 Y N 0.751 121.035 120.300 -0.026 0.000 2.569 439 Y HA -0.108 4.443 4.550 0.001 0.000 0.293 439 Y C 2.583 178.492 175.900 0.015 0.000 1.144 439 Y CA 1.450 59.546 58.100 -0.007 0.000 1.321 439 Y CB -0.946 37.510 38.460 -0.006 0.000 0.982 439 Y HN 0.415 nan 8.280 nan 0.000 0.558 440 T N -2.480 112.154 114.554 0.133 0.000 3.085 440 T HA -0.040 4.311 4.350 0.001 0.000 0.263 440 T C 0.693 175.445 174.700 0.087 0.000 1.127 440 T CA 0.250 62.406 62.100 0.093 0.000 1.103 440 T CB -0.211 68.688 68.868 0.051 0.000 0.921 440 T HN 0.125 nan 8.240 nan 0.000 0.510 441 K N 2.135 122.589 120.400 0.091 0.000 2.231 441 K HA 0.483 4.804 4.320 0.001 0.000 0.255 441 K C -1.261 175.414 176.600 0.125 0.000 1.108 441 K CA -0.331 56.011 56.287 0.090 0.000 0.997 441 K CB 1.262 33.806 32.500 0.073 0.000 1.549 441 K HN 0.142 nan 8.250 nan 0.000 0.419 442 V N 2.389 122.375 119.914 0.119 0.000 2.448 442 V HA 0.255 4.376 4.120 0.001 0.000 0.295 442 V C -0.091 176.062 176.094 0.099 0.000 1.025 442 V CA -0.676 61.707 62.300 0.139 0.000 0.859 442 V CB 1.866 33.792 31.823 0.172 0.000 0.988 442 V HN 0.572 nan 8.190 nan 0.000 0.431 443 T N 3.330 117.911 114.554 0.044 0.000 2.792 443 T HA 0.247 4.598 4.350 0.001 0.000 0.280 443 T C -0.320 174.287 174.700 -0.154 0.000 0.990 443 T CA -0.292 61.779 62.100 -0.050 0.000 0.960 443 T CB 1.244 70.047 68.868 -0.108 0.000 0.939 443 T HN 0.755 nan 8.240 nan 0.000 0.439 444 C N 5.015 124.153 119.300 -0.270 0.000 2.482 444 C HA 0.394 4.855 4.460 0.001 0.000 0.378 444 C C 1.589 176.240 174.990 -0.566 0.000 1.284 444 C CA -0.497 58.081 59.018 -0.734 0.000 1.826 444 C CB -1.776 25.441 27.740 -0.872 0.000 2.473 444 C HN 0.985 nan 8.230 nan 0.000 0.562 445 L N 4.665 125.519 121.223 -0.615 0.000 2.554 445 L HA 0.110 4.450 4.340 0.001 0.000 0.225 445 L C 2.046 178.602 176.870 -0.522 0.000 1.104 445 L CA 0.700 55.271 54.840 -0.448 0.000 0.866 445 L CB -0.155 41.678 42.059 -0.376 0.000 1.047 445 L HN 0.880 nan 8.230 nan 0.000 0.468 446 S N -3.321 111.952 115.700 -0.711 0.000 2.589 446 S HA -0.007 4.463 4.470 0.001 0.000 0.235 446 S C 1.789 175.982 174.600 -0.678 0.000 1.051 446 S CA -0.133 57.548 58.200 -0.866 0.000 0.978 446 S CB -0.284 61.998 63.200 -1.530 0.000 0.929 446 S HN 0.272 nan 8.310 nan 0.000 0.523 447 C N 2.648 121.523 119.300 -0.708 0.000 2.385 447 C HA -0.031 4.430 4.460 0.001 0.000 0.275 447 C C 2.334 177.025 174.990 -0.498 0.000 1.207 447 C CA 1.182 59.706 59.018 -0.823 0.000 1.760 447 C CB -0.845 26.151 27.740 -1.239 0.000 2.051 447 C HN 0.591 nan 8.230 nan 0.000 0.467 448 E N 0.243 120.233 120.200 -0.349 0.000 2.481 448 E HA 0.179 4.529 4.350 0.001 0.000 0.198 448 E C 1.863 178.405 176.600 -0.097 0.000 1.027 448 E CA -0.002 56.297 56.400 -0.169 0.000 0.900 448 E CB -0.255 29.365 29.700 -0.132 0.000 0.993 448 E HN 0.646 nan 8.360 nan 0.000 0.482 449 L N 0.490 121.650 121.223 -0.105 0.000 2.017 449 L HA -0.087 4.254 4.340 0.001 0.000 0.208 449 L C 1.109 177.986 176.870 0.013 0.000 1.073 449 L CA 1.005 55.827 54.840 -0.030 0.000 0.745 449 L CB -0.075 41.984 42.059 0.001 0.000 0.894 449 L HN 0.031 nan 8.230 nan 0.000 0.432 450 N N -1.613 117.112 118.700 0.041 0.000 2.839 450 N HA 0.137 4.878 4.740 0.001 0.000 0.230 450 N C -2.255 173.283 175.510 0.046 0.000 1.388 450 N CA -0.996 52.075 53.050 0.034 0.000 0.747 450 N CB 1.081 39.582 38.487 0.024 0.000 1.411 450 N HN -0.233 nan 8.380 nan 0.000 0.556 451 P HA -0.070 nan 4.420 nan 0.000 0.216 451 P C 0.756 178.102 177.300 0.075 0.000 1.150 451 P CA 1.305 64.458 63.100 0.089 0.000 0.837 451 P CB 0.646 32.410 31.700 0.107 0.000 0.786 452 E N -0.834 119.391 120.200 0.043 0.000 2.072 452 E HA -0.137 4.214 4.350 0.001 0.000 0.190 452 E C 2.265 178.868 176.600 0.005 0.000 0.982 452 E CA 0.742 57.156 56.400 0.024 0.000 0.803 452 E CB -0.242 29.465 29.700 0.012 0.000 0.755 452 E HN 0.133 nan 8.360 nan 0.000 0.453 453 R N -0.302 120.191 120.500 -0.012 0.000 2.140 453 R HA 0.080 4.421 4.340 0.001 0.000 0.213 453 R C -0.215 176.041 176.300 -0.073 0.000 1.059 453 R CA 0.598 56.668 56.100 -0.050 0.000 1.000 453 R CB 0.397 30.656 30.300 -0.067 0.000 0.910 453 R HN 0.095 nan 8.270 nan 0.000 0.455 454 c N 0.817 119.386 118.600 -0.051 0.000 2.407 454 c HA 0.395 4.966 4.570 0.001 0.000 0.328 454 c C -0.080 174.003 174.090 -0.012 0.000 1.137 454 c CA -0.696 55.548 56.329 -0.141 0.000 1.390 454 c CB 1.397 43.790 42.510 -0.195 0.000 1.989 454 c HN 0.525 nan 8.230 nan 0.000 0.432 455 Q N 0.483 120.270 119.800 -0.022 0.000 2.113 455 Q HA 0.212 4.553 4.340 0.001 0.000 0.225 455 Q C -0.927 175.152 176.000 0.131 0.000 0.786 455 Q CA 0.113 55.983 55.803 0.111 0.000 0.989 455 Q CB 1.415 30.226 28.738 0.120 0.000 1.174 455 Q HN 0.784 nan 8.270 nan 0.000 0.470 456 Y N 0.338 120.547 120.300 -0.151 0.000 2.317 456 Y HA 0.379 4.929 4.550 0.001 0.000 0.325 456 Y C -1.723 174.037 175.900 -0.234 0.000 1.066 456 Y CA -1.033 57.002 58.100 -0.109 0.000 1.203 456 Y CB 0.877 39.276 38.460 -0.102 0.000 1.127 456 Y HN -0.083 nan 8.280 nan 0.000 0.451 457 Y N 2.595 122.850 120.300 -0.075 0.000 2.485 457 Y HA 0.640 5.191 4.550 0.001 0.000 0.345 457 Y C 0.240 176.104 175.900 -0.060 0.000 0.998 457 Y CA -0.580 57.485 58.100 -0.059 0.000 1.059 457 Y CB 2.297 40.685 38.460 -0.120 0.000 1.234 457 Y HN 0.549 nan 8.280 nan 0.000 0.461 458 S N 0.986 116.785 115.700 0.165 0.000 2.715 458 S HA 0.879 5.350 4.470 0.001 0.000 0.307 458 S C -1.453 173.233 174.600 0.143 0.000 1.119 458 S CA -0.772 57.511 58.200 0.138 0.000 0.937 458 S CB 1.921 65.210 63.200 0.147 0.000 1.150 458 S HN 0.573 nan 8.310 nan 0.000 0.521 459 V N 0.212 120.210 119.914 0.140 0.000 2.971 459 V HA 0.814 4.935 4.120 0.001 0.000 0.309 459 V C -1.182 175.020 176.094 0.181 0.000 1.130 459 V CA -0.332 62.034 62.300 0.111 0.000 0.964 459 V CB 2.312 34.139 31.823 0.006 0.000 1.029 459 V HN 1.127 nan 8.190 nan 0.000 0.427 460 S N 5.093 120.900 115.700 0.179 0.000 2.707 460 S HA 0.674 5.145 4.470 0.001 0.000 0.312 460 S C -1.109 173.677 174.600 0.309 0.000 1.116 460 S CA -0.382 58.013 58.200 0.326 0.000 1.078 460 S CB 0.386 63.819 63.200 0.388 0.000 0.997 460 S HN 0.487 nan 8.310 nan 0.000 0.477 461 F N 3.178 123.211 119.950 0.138 0.000 2.375 461 F HA 0.410 4.937 4.527 0.001 0.000 0.333 461 F C 1.449 176.876 175.800 -0.622 0.000 1.104 461 F CA -0.181 57.738 58.000 -0.135 0.000 1.149 461 F CB 1.302 40.201 39.000 -0.168 0.000 1.190 461 F HN 0.643 nan 8.300 nan 0.000 0.533 462 S N 2.257 117.343 115.700 -1.023 0.000 2.617 462 S HA 0.148 4.619 4.470 0.001 0.000 0.259 462 S C 1.273 175.670 174.600 -0.339 0.000 1.301 462 S CA -0.766 56.655 58.200 -1.299 0.000 0.984 462 S CB 0.726 63.140 63.200 -1.310 0.000 0.954 462 S HN 0.556 nan 8.310 nan 0.000 0.572 463 K N 0.930 121.257 120.400 -0.122 0.000 2.089 463 K HA -0.100 4.221 4.320 0.001 0.000 0.210 463 K C 0.908 177.525 176.600 0.028 0.000 1.048 463 K CA 1.582 57.886 56.287 0.028 0.000 0.926 463 K CB -0.413 32.144 32.500 0.095 0.000 0.714 463 K HN 0.715 nan 8.250 nan 0.000 0.448 464 E N -0.908 119.299 120.200 0.013 0.000 2.685 464 E HA 0.262 4.613 4.350 0.001 0.000 0.208 464 E C 0.105 176.703 176.600 -0.003 0.000 0.996 464 E CA 0.095 56.509 56.400 0.023 0.000 1.054 464 E CB 0.667 30.394 29.700 0.044 0.000 1.075 464 E HN 0.214 nan 8.360 nan 0.000 0.460 465 A N 1.268 124.074 122.820 -0.025 0.000 2.887 465 A HA -0.331 3.989 4.320 0.001 0.000 0.257 465 A C 1.529 179.113 177.584 0.001 0.000 1.372 465 A CA 1.682 53.732 52.037 0.021 0.000 0.879 465 A CB -2.116 16.798 19.000 -0.143 0.000 1.082 465 A HN 0.284 nan 8.150 nan 0.000 0.703 466 K N -1.763 118.575 120.400 -0.104 0.000 2.097 466 K HA 0.029 4.350 4.320 0.001 0.000 0.205 466 K C 0.177 176.427 176.600 -0.583 0.000 1.050 466 K CA 1.616 57.715 56.287 -0.312 0.000 0.938 466 K CB -0.049 32.250 32.500 -0.335 0.000 0.718 466 K HN 0.689 nan 8.250 nan 0.000 0.442 467 Y N -1.046 119.181 120.300 -0.121 0.000 2.570 467 Y HA 0.330 4.881 4.550 0.001 0.000 0.345 467 Y C -0.900 174.884 175.900 -0.193 0.000 1.014 467 Y CA -1.375 56.632 58.100 -0.155 0.000 1.063 467 Y CB 1.614 40.014 38.460 -0.100 0.000 1.272 467 Y HN -0.049 nan 8.280 nan 0.000 0.477 468 Y N -1.204 119.030 120.300 -0.111 0.000 2.504 468 Y HA 0.523 5.074 4.550 0.001 0.000 0.344 468 Y C -1.097 174.817 175.900 0.024 0.000 1.023 468 Y CA -1.577 56.310 58.100 -0.355 0.000 1.020 468 Y CB 1.414 39.113 38.460 -1.268 0.000 1.282 468 Y HN 0.587 nan 8.280 nan 0.000 0.454 469 Q N 3.611 123.546 119.800 0.225 0.000 2.278 469 Q HA 0.524 4.865 4.340 0.001 0.000 0.257 469 Q C -1.634 174.466 176.000 0.166 0.000 0.928 469 Q CA -0.625 55.278 55.803 0.165 0.000 0.932 469 Q CB 1.138 29.942 28.738 0.110 0.000 1.221 469 Q HN 0.954 nan 8.270 nan 0.000 0.434 470 L N 4.063 125.403 121.223 0.195 0.000 2.307 470 L HA 0.512 4.853 4.340 0.001 0.000 0.282 470 L C -0.002 176.950 176.870 0.136 0.000 1.051 470 L CA -0.461 54.488 54.840 0.182 0.000 0.804 470 L CB 1.381 43.543 42.059 0.172 0.000 1.197 470 L HN 0.558 nan 8.230 nan 0.000 0.431 471 R N 3.190 123.739 120.500 0.083 0.000 2.320 471 R HA 0.328 4.669 4.340 0.001 0.000 0.319 471 R C -0.935 175.215 176.300 -0.249 0.000 0.969 471 R CA -0.502 55.467 56.100 -0.217 0.000 0.857 471 R CB 1.171 31.409 30.300 -0.104 0.000 1.160 471 R HN 0.743 nan 8.270 nan 0.000 0.491 472 c N 4.078 122.399 118.600 -0.466 0.000 2.415 472 c HA 0.410 4.981 4.570 0.001 0.000 0.369 472 c C 1.295 175.131 174.090 -0.424 0.000 1.279 472 c CA -0.137 55.789 56.329 -0.673 0.000 1.886 472 c CB 0.385 42.460 42.510 -0.725 0.000 2.468 472 c HN 0.960 nan 8.230 nan 0.000 0.553 473 S N 3.741 119.283 115.700 -0.262 0.000 2.629 473 S HA 0.607 5.078 4.470 0.001 0.000 0.236 473 S C 0.403 174.940 174.600 -0.104 0.000 1.010 473 S CA 0.237 58.347 58.200 -0.150 0.000 0.981 473 S CB 0.039 63.190 63.200 -0.083 0.000 0.919 473 S HN 1.935 nan 8.310 nan 0.000 0.514 474 G N 1.752 110.477 108.800 -0.125 0.000 2.321 474 G HA2 0.382 4.343 3.960 0.001 0.000 0.298 474 G HA3 0.382 4.343 3.960 0.001 0.000 0.298 474 G C -3.038 171.831 174.900 -0.051 0.000 1.385 474 G CA -0.469 44.599 45.100 -0.053 0.000 0.856 474 G HN -0.123 nan 8.290 nan 0.000 0.584 475 P HA 0.136 nan 4.420 nan 0.000 0.231 475 P C 1.331 178.658 177.300 0.046 0.000 1.168 475 P CA 1.306 64.428 63.100 0.037 0.000 0.779 475 P CB 0.331 32.051 31.700 0.032 0.000 0.844 476 G N 0.474 109.235 108.800 -0.064 0.000 2.553 476 G HA2 0.371 4.332 3.960 0.001 0.000 0.278 476 G HA3 0.371 4.332 3.960 0.001 0.000 0.278 476 G C -0.219 174.452 174.900 -0.381 0.000 1.349 476 G CA -0.701 44.289 45.100 -0.182 0.000 1.037 476 G HN 0.046 nan 8.290 nan 0.000 0.508 477 L N 1.039 121.953 121.223 -0.515 0.000 2.456 477 L HA 0.169 4.509 4.340 0.001 0.000 0.272 477 L C -1.875 174.814 176.870 -0.301 0.000 1.189 477 L CA -1.327 53.163 54.840 -0.584 0.000 0.846 477 L CB 0.616 42.405 42.059 -0.451 0.000 1.111 477 L HN 0.237 nan 8.230 nan 0.000 0.475 478 P HA 0.004 nan 4.420 nan 0.000 0.265 478 P C -0.937 176.264 177.300 -0.166 0.000 1.187 478 P CA 0.050 63.039 63.100 -0.185 0.000 0.766 478 P CB 0.515 32.189 31.700 -0.044 0.000 0.820 479 L N 5.325 126.362 121.223 -0.310 0.000 2.439 479 L HA 0.471 4.812 4.340 0.001 0.000 0.270 479 L C -1.821 174.873 176.870 -0.293 0.000 0.972 479 L CA -0.756 53.973 54.840 -0.186 0.000 0.836 479 L CB 0.834 42.807 42.059 -0.143 0.000 1.255 479 L HN 0.227 nan 8.230 nan 0.000 0.404 480 Y N 2.843 123.097 120.300 -0.077 0.000 2.335 480 Y HA 0.753 5.303 4.550 0.001 0.000 0.338 480 Y C 0.459 176.253 175.900 -0.176 0.000 0.977 480 Y CA -0.467 57.572 58.100 -0.101 0.000 1.114 480 Y CB 2.144 40.524 38.460 -0.132 0.000 1.182 480 Y HN 0.676 nan 8.280 nan 0.000 0.463 481 T N 0.979 115.534 114.554 0.001 0.000 2.903 481 T HA 0.701 5.051 4.350 0.001 0.000 0.299 481 T C -1.535 173.062 174.700 -0.171 0.000 1.093 481 T CA -0.867 61.161 62.100 -0.121 0.000 1.002 481 T CB 1.986 70.830 68.868 -0.041 0.000 1.127 481 T HN 0.383 nan 8.240 nan 0.000 0.488 482 L N 1.958 122.951 121.223 -0.383 0.000 2.334 482 L HA 0.637 4.978 4.340 0.001 0.000 0.276 482 L C -0.790 175.710 176.870 -0.616 0.000 1.014 482 L CA -0.317 54.331 54.840 -0.319 0.000 0.815 482 L CB 1.224 43.149 42.059 -0.224 0.000 1.268 482 L HN 0.833 nan 8.230 nan 0.000 0.428 483 H N 1.430 120.266 119.070 -0.391 0.000 2.895 483 H HA 0.551 5.107 4.556 0.001 0.000 0.373 483 H C -0.992 174.073 175.328 -0.440 0.000 1.174 483 H CA -0.833 54.871 56.048 -0.573 0.000 1.144 483 H CB 2.107 31.146 29.762 -1.204 0.000 1.793 483 H HN 0.580 nan 8.280 nan 0.000 0.551 484 S N 0.450 116.064 115.700 -0.144 0.000 2.475 484 S HA 0.224 4.695 4.470 0.001 0.000 0.298 484 S C 0.701 175.247 174.600 -0.090 0.000 1.119 484 S CA -0.703 57.414 58.200 -0.137 0.000 1.085 484 S CB 1.904 65.046 63.200 -0.097 0.000 1.028 484 S HN 0.565 nan 8.310 nan 0.000 0.489 485 S N 2.037 117.712 115.700 -0.042 0.000 2.383 485 S HA -0.111 4.360 4.470 0.001 0.000 0.227 485 S C 1.883 176.523 174.600 0.067 0.000 1.026 485 S CA 1.022 59.309 58.200 0.144 0.000 0.981 485 S CB -0.479 62.798 63.200 0.128 0.000 0.818 485 S HN 0.672 nan 8.310 nan 0.000 0.472 486 V N 2.677 122.583 119.914 -0.014 0.000 2.252 486 V HA -0.152 3.968 4.120 0.001 0.000 0.249 486 V C 0.975 177.078 176.094 0.015 0.000 1.056 486 V CA 1.811 64.114 62.300 0.006 0.000 1.022 486 V CB -0.305 31.505 31.823 -0.021 0.000 0.641 486 V HN 0.464 nan 8.190 nan 0.000 0.445 487 N N -0.539 118.163 118.700 0.004 0.000 2.235 487 N HA 0.127 4.868 4.740 0.001 0.000 0.231 487 N C -0.254 175.262 175.510 0.010 0.000 1.177 487 N CA 0.389 53.442 53.050 0.005 0.000 0.874 487 N CB 0.295 38.783 38.487 0.003 0.000 1.097 487 N HN 0.502 nan 8.380 nan 0.000 0.518 488 D N 1.005 121.427 120.400 0.038 0.000 2.701 488 D HA -0.185 4.455 4.640 0.001 0.000 0.235 488 D C -0.208 176.118 176.300 0.043 0.000 1.155 488 D CA 1.024 55.070 54.000 0.076 0.000 0.649 488 D CB -0.858 39.984 40.800 0.071 0.000 1.050 488 D HN 0.370 nan 8.370 nan 0.000 0.425 489 K N 0.169 120.574 120.400 0.007 0.000 2.382 489 K HA 0.302 4.623 4.320 0.001 0.000 0.275 489 K C 1.120 177.702 176.600 -0.029 0.000 1.009 489 K CA 0.166 56.447 56.287 -0.011 0.000 0.970 489 K CB 0.812 33.297 32.500 -0.025 0.000 0.934 489 K HN 0.152 nan 8.250 nan 0.000 0.479 490 G N 3.270 112.037 108.800 -0.055 0.000 2.546 490 G HA2 0.194 4.154 3.960 0.001 0.000 0.320 490 G HA3 0.194 4.154 3.960 0.001 0.000 0.320 490 G C 0.823 175.576 174.900 -0.245 0.000 0.984 490 G CA -0.402 44.563 45.100 -0.225 0.000 1.183 490 G HN 0.547 nan 8.290 nan 0.000 0.443 491 L N 1.464 122.510 121.223 -0.294 0.000 1.988 491 L HA 0.153 4.493 4.340 0.001 0.000 0.207 491 L C 1.762 178.525 176.870 -0.178 0.000 1.071 491 L CA 1.186 55.918 54.840 -0.180 0.000 0.744 491 L CB -0.235 41.739 42.059 -0.140 0.000 0.893 491 L HN 0.671 nan 8.230 nan 0.000 0.433 492 R N -1.743 118.609 120.500 -0.247 0.000 2.690 492 R HA 0.467 4.807 4.340 0.001 0.000 0.269 492 R C -1.657 174.498 176.300 -0.241 0.000 1.037 492 R CA -0.873 55.107 56.100 -0.199 0.000 0.877 492 R CB 1.490 31.701 30.300 -0.148 0.000 1.255 492 R HN -0.248 nan 8.270 nan 0.000 0.467 493 V N 3.351 123.153 119.914 -0.188 0.000 2.461 493 V HA 0.173 4.294 4.120 0.001 0.000 0.275 493 V C 1.243 177.184 176.094 -0.253 0.000 1.047 493 V CA -0.354 61.835 62.300 -0.185 0.000 0.955 493 V CB 1.150 32.902 31.823 -0.117 0.000 0.988 493 V HN 0.673 nan 8.190 nan 0.000 0.471 494 L N 2.603 123.605 121.223 -0.367 0.000 2.253 494 L HA 0.314 4.655 4.340 0.001 0.000 0.205 494 L C 0.682 177.258 176.870 -0.490 0.000 1.078 494 L CA 0.628 55.049 54.840 -0.698 0.000 0.805 494 L CB 0.254 41.537 42.059 -1.294 0.000 0.963 494 L HN 0.696 nan 8.230 nan 0.000 0.459 495 E N -0.026 120.047 120.200 -0.212 0.000 2.415 495 E HA 0.081 4.431 4.350 0.001 0.000 0.302 495 E C -1.153 175.491 176.600 0.073 0.000 0.907 495 E CA -0.350 56.037 56.400 -0.021 0.000 0.798 495 E CB 0.998 30.713 29.700 0.026 0.000 1.315 495 E HN 0.161 nan 8.360 nan 0.000 0.396 496 D N 3.075 123.492 120.400 0.028 0.000 2.398 496 D HA 0.133 4.774 4.640 0.001 0.000 0.210 496 D C -0.202 176.102 176.300 0.007 0.000 1.094 496 D CA -0.238 53.768 54.000 0.010 0.000 0.839 496 D CB -0.026 40.761 40.800 -0.022 0.000 0.963 496 D HN 0.449 nan 8.370 nan 0.000 0.506 497 N N 0.387 119.110 118.700 0.038 0.000 2.708 497 N HA -0.226 4.515 4.740 0.001 0.000 0.249 497 N C 0.923 176.434 175.510 0.002 0.000 1.097 497 N CA 0.936 54.002 53.050 0.027 0.000 0.710 497 N CB -1.244 37.248 38.487 0.008 0.000 1.032 497 N HN 0.505 nan 8.380 nan 0.000 0.551 498 S N -1.318 114.385 115.700 0.005 0.000 2.419 498 S HA -0.013 4.458 4.470 0.001 0.000 0.233 498 S C 2.072 176.683 174.600 0.018 0.000 1.016 498 S CA 0.884 59.084 58.200 0.000 0.000 0.974 498 S CB -0.039 63.160 63.200 -0.001 0.000 0.786 498 S HN 0.499 nan 8.310 nan 0.000 0.492 499 A N 2.106 124.946 122.820 0.034 0.000 1.877 499 A HA 0.080 4.400 4.320 0.001 0.000 0.216 499 A C 2.215 179.840 177.584 0.069 0.000 1.186 499 A CA 1.543 53.611 52.037 0.050 0.000 0.620 499 A CB -0.974 18.059 19.000 0.056 0.000 0.822 499 A HN 0.505 nan 8.150 nan 0.000 0.443 500 L N 0.476 121.742 121.223 0.072 0.000 2.042 500 L HA -0.190 4.151 4.340 0.001 0.000 0.210 500 L C 1.948 178.851 176.870 0.054 0.000 1.076 500 L CA 2.797 57.696 54.840 0.098 0.000 0.749 500 L CB -0.809 41.305 42.059 0.090 0.000 0.893 500 L HN 0.551 nan 8.230 nan 0.000 0.432 501 D N -0.720 119.682 120.400 0.003 0.000 2.116 501 D HA -0.294 4.347 4.640 0.001 0.000 0.193 501 D C 2.276 178.580 176.300 0.007 0.000 0.998 501 D CA 1.770 55.757 54.000 -0.023 0.000 0.836 501 D CB -0.126 40.651 40.800 -0.039 0.000 0.951 501 D HN 0.317 nan 8.370 nan 0.000 0.449 502 K N -0.671 119.745 120.400 0.027 0.000 2.057 502 K HA -0.159 4.162 4.320 0.001 0.000 0.207 502 K C 2.063 178.703 176.600 0.066 0.000 1.049 502 K CA 1.098 57.409 56.287 0.040 0.000 0.931 502 K CB -0.028 32.498 32.500 0.042 0.000 0.714 502 K HN 0.184 nan 8.250 nan 0.000 0.440 503 M N 0.862 120.525 119.600 0.105 0.000 2.086 503 M HA -0.140 4.341 4.480 0.001 0.000 0.261 503 M C 2.212 178.578 176.300 0.110 0.000 1.067 503 M CA 1.413 56.822 55.300 0.182 0.000 1.116 503 M CB -0.868 31.930 32.600 0.331 0.000 1.348 503 M HN 0.182 nan 8.290 nan 0.000 0.407 504 L N -0.377 120.853 121.223 0.013 0.000 2.275 504 L HA -0.198 4.143 4.340 0.001 0.000 0.215 504 L C 2.417 179.262 176.870 -0.042 0.000 1.119 504 L CA 0.731 55.513 54.840 -0.097 0.000 0.790 504 L CB -0.626 41.381 42.059 -0.087 0.000 0.919 504 L HN 0.429 nan 8.230 nan 0.000 0.443 505 Q N 0.213 120.011 119.800 -0.002 0.000 2.234 505 Q HA -0.202 4.139 4.340 0.001 0.000 0.206 505 Q C 1.014 177.028 176.000 0.023 0.000 0.980 505 Q CA 1.476 57.284 55.803 0.008 0.000 0.869 505 Q CB -0.136 28.613 28.738 0.018 0.000 0.912 505 Q HN 0.583 nan 8.270 nan 0.000 0.436 506 N N -0.659 118.065 118.700 0.040 0.000 2.276 506 N HA 0.100 4.841 4.740 0.001 0.000 0.212 506 N C -1.303 174.246 175.510 0.065 0.000 1.127 506 N CA -0.278 52.808 53.050 0.060 0.000 0.834 506 N CB 1.016 39.553 38.487 0.083 0.000 1.014 506 N HN -0.122 nan 8.380 nan 0.000 0.491 507 V N 0.804 120.732 119.914 0.024 0.000 2.680 507 V HA 0.230 4.351 4.120 0.001 0.000 0.309 507 V C -0.188 175.915 176.094 0.014 0.000 1.052 507 V CA -0.965 61.348 62.300 0.022 0.000 0.908 507 V CB 2.124 33.902 31.823 -0.074 0.000 1.001 507 V HN 0.104 nan 8.190 nan 0.000 0.431 508 Q N 4.003 123.830 119.800 0.045 0.000 2.534 508 Q HA 0.336 4.677 4.340 0.001 0.000 0.223 508 Q C -0.509 175.478 176.000 -0.021 0.000 1.239 508 Q CA -0.206 55.603 55.803 0.010 0.000 0.936 508 Q CB 0.415 29.194 28.738 0.067 0.000 1.457 508 Q HN 0.513 nan 8.270 nan 0.000 0.547 509 M N 3.518 123.081 119.600 -0.062 0.000 2.250 509 M HA 0.364 4.845 4.480 0.001 0.000 0.344 509 M C -2.010 174.224 176.300 -0.111 0.000 1.150 509 M CA -2.583 52.668 55.300 -0.081 0.000 1.147 509 M CB 0.081 32.635 32.600 -0.077 0.000 1.498 509 M HN 0.290 nan 8.290 nan 0.000 0.461 510 P HA 0.248 nan 4.420 nan 0.000 0.276 510 P C -0.744 176.470 177.300 -0.143 0.000 1.261 510 P CA -0.348 62.665 63.100 -0.145 0.000 0.800 510 P CB 0.497 32.098 31.700 -0.164 0.000 1.066 511 S N -0.484 115.119 115.700 -0.162 0.000 2.747 511 S HA 0.631 5.102 4.470 0.001 0.000 0.300 511 S C -0.487 174.011 174.600 -0.170 0.000 1.121 511 S CA -0.771 57.341 58.200 -0.146 0.000 0.995 511 S CB 1.494 64.604 63.200 -0.150 0.000 1.113 511 S HN 0.487 nan 8.310 nan 0.000 0.547 512 K N 0.440 120.760 120.400 -0.134 0.000 2.463 512 K HA 0.379 4.699 4.320 0.001 0.000 0.255 512 K C -1.244 175.286 176.600 -0.117 0.000 0.942 512 K CA -0.495 55.717 56.287 -0.125 0.000 0.814 512 K CB 1.351 33.800 32.500 -0.085 0.000 1.122 512 K HN 0.685 nan 8.250 nan 0.000 0.425 513 K N 5.036 125.351 120.400 -0.143 0.000 2.211 513 K HA 0.279 4.599 4.320 0.001 0.000 0.275 513 K C -1.364 175.184 176.600 -0.088 0.000 1.024 513 K CA -0.758 55.454 56.287 -0.125 0.000 0.887 513 K CB 0.811 33.209 32.500 -0.170 0.000 1.084 513 K HN 0.457 nan 8.250 nan 0.000 0.463 514 L N 4.330 125.522 121.223 -0.051 0.000 2.305 514 L HA 0.507 4.848 4.340 0.001 0.000 0.284 514 L C -1.080 175.785 176.870 -0.007 0.000 1.013 514 L CA 0.166 55.008 54.840 0.003 0.000 0.819 514 L CB 1.366 43.494 42.059 0.115 0.000 1.227 514 L HN 0.812 nan 8.230 nan 0.000 0.417 515 D N 2.721 122.961 120.400 -0.266 0.000 2.838 515 D HA 0.515 5.156 4.640 0.001 0.000 0.334 515 D C -1.623 174.324 176.300 -0.589 0.000 1.315 515 D CA -0.042 53.691 54.000 -0.445 0.000 0.917 515 D CB 1.609 42.088 40.800 -0.536 0.000 1.435 515 D HN 0.232 nan 8.370 nan 0.000 0.517 516 F N -0.130 119.484 119.950 -0.560 0.000 2.613 516 F HA 0.724 5.252 4.527 0.001 0.000 0.314 516 F C -0.741 175.136 175.800 0.129 0.000 1.075 516 F CA -1.076 56.700 58.000 -0.373 0.000 0.945 516 F CB 0.963 39.308 39.000 -1.093 0.000 1.310 516 F HN 0.293 nan 8.300 nan 0.000 0.467 517 I N 0.077 120.957 120.570 0.517 0.000 2.957 517 I HA 0.691 4.861 4.170 0.001 0.000 0.310 517 I C -1.344 175.037 176.117 0.440 0.000 1.063 517 I CA -1.283 60.253 61.300 0.394 0.000 1.033 517 I CB 2.482 40.659 38.000 0.296 0.000 1.230 517 I HN 0.655 nan 8.210 nan 0.000 0.447 518 I N 4.393 125.150 120.570 0.311 0.000 2.330 518 I HA 0.380 4.551 4.170 0.001 0.000 0.289 518 I C -0.791 175.478 176.117 0.254 0.000 1.001 518 I CA -0.487 60.980 61.300 0.278 0.000 1.193 518 I CB 1.561 39.679 38.000 0.198 0.000 1.345 518 I HN 0.360 nan 8.210 nan 0.000 0.461 519 L N 6.715 128.161 121.223 0.372 0.000 2.298 519 L HA 0.424 4.765 4.340 0.001 0.000 0.284 519 L C 0.248 177.268 176.870 0.251 0.000 1.013 519 L CA -0.654 54.350 54.840 0.274 0.000 0.824 519 L CB 0.994 43.200 42.059 0.245 0.000 1.221 519 L HN 0.623 nan 8.230 nan 0.000 0.418 520 N N 2.632 121.411 118.700 0.132 0.000 2.738 520 N HA -0.221 4.519 4.740 0.001 0.000 0.249 520 N C 0.405 175.965 175.510 0.082 0.000 1.047 520 N CA 1.239 54.342 53.050 0.089 0.000 0.707 520 N CB -0.533 38.000 38.487 0.077 0.000 0.937 520 N HN 0.856 nan 8.380 nan 0.000 0.545 521 E N -3.531 116.714 120.200 0.074 0.000 3.916 521 E HA -0.206 4.145 4.350 0.001 0.000 0.331 521 E C -0.619 175.989 176.600 0.014 0.000 0.729 521 E CA 1.777 58.202 56.400 0.042 0.000 1.222 521 E CB -1.248 28.465 29.700 0.022 0.000 1.633 521 E HN 0.579 nan 8.360 nan 0.000 0.437 522 T N 1.229 115.800 114.554 0.029 0.000 2.797 522 T HA 0.378 4.729 4.350 0.001 0.000 0.279 522 T C -0.216 174.373 174.700 -0.184 0.000 0.991 522 T CA -0.951 61.066 62.100 -0.138 0.000 0.979 522 T CB 1.189 69.903 68.868 -0.257 0.000 0.943 522 T HN 0.117 nan 8.240 nan 0.000 0.444 523 K N 2.643 122.873 120.400 -0.283 0.000 2.322 523 K HA 0.444 4.764 4.320 0.001 0.000 0.283 523 K C -1.178 175.179 176.600 -0.406 0.000 1.042 523 K CA -0.230 55.901 56.287 -0.260 0.000 0.958 523 K CB 0.391 32.553 32.500 -0.563 0.000 0.984 523 K HN 0.386 nan 8.250 nan 0.000 0.473 524 F N 1.615 121.654 119.950 0.148 0.000 2.529 524 F HA 0.331 4.859 4.527 0.001 0.000 0.320 524 F C -0.648 175.305 175.800 0.254 0.000 1.118 524 F CA -0.854 57.256 58.000 0.184 0.000 0.915 524 F CB 1.203 40.317 39.000 0.191 0.000 1.161 524 F HN 0.508 nan 8.300 nan 0.000 0.445 525 W N 3.444 124.921 121.300 0.295 0.000 2.381 525 W HA 0.514 5.175 4.660 0.001 0.000 0.329 525 W C -0.645 176.113 176.519 0.399 0.000 1.157 525 W CA -0.623 56.912 57.345 0.318 0.000 1.240 525 W CB 0.725 30.290 29.460 0.175 0.000 1.199 525 W HN 0.431 nan 8.180 nan 0.000 0.579 526 Y N -0.205 120.459 120.300 0.606 0.000 2.609 526 Y HA 0.690 5.241 4.550 0.001 0.000 0.342 526 Y C -0.873 175.254 175.900 0.378 0.000 1.058 526 Y CA -1.853 56.585 58.100 0.564 0.000 1.055 526 Y CB 1.169 40.100 38.460 0.785 0.000 1.292 526 Y HN 0.564 nan 8.280 nan 0.000 0.476 527 Q N 2.164 122.207 119.800 0.406 0.000 2.413 527 Q HA 0.730 5.071 4.340 0.001 0.000 0.276 527 Q C -1.715 174.413 176.000 0.213 0.000 1.099 527 Q CA -1.161 54.757 55.803 0.192 0.000 0.814 527 Q CB 3.226 32.042 28.738 0.130 0.000 1.379 527 Q HN 0.863 nan 8.270 nan 0.000 0.436 528 M N 2.569 122.209 119.600 0.068 0.000 2.259 528 M HA 0.419 4.900 4.480 0.001 0.000 0.304 528 M C -1.174 175.051 176.300 -0.125 0.000 1.019 528 M CA -0.915 54.357 55.300 -0.046 0.000 0.922 528 M CB 2.011 34.535 32.600 -0.127 0.000 1.600 528 M HN 0.597 nan 8.290 nan 0.000 0.433 529 I N 5.327 125.828 120.570 -0.115 0.000 2.322 529 I HA 0.295 4.466 4.170 0.001 0.000 0.292 529 I C -0.377 175.605 176.117 -0.225 0.000 1.060 529 I CA -0.117 61.089 61.300 -0.157 0.000 1.309 529 I CB -0.048 37.880 38.000 -0.121 0.000 1.415 529 I HN 0.637 nan 8.210 nan 0.000 0.492 530 L N 8.447 129.487 121.223 -0.305 0.000 2.309 530 L HA 0.442 4.783 4.340 0.001 0.000 0.282 530 L C -2.171 174.539 176.870 -0.267 0.000 1.036 530 L CA -1.874 52.706 54.840 -0.433 0.000 0.806 530 L CB 1.353 42.959 42.059 -0.756 0.000 1.220 530 L HN 0.260 nan 8.230 nan 0.000 0.429 531 P HA -0.014 nan 4.420 nan 0.000 0.267 531 P C -2.403 174.871 177.300 -0.043 0.000 1.201 531 P CA -0.633 62.422 63.100 -0.075 0.000 0.775 531 P CB -0.290 31.415 31.700 0.009 0.000 0.854 532 P HA -0.109 nan 4.420 nan 0.000 0.265 532 P C -0.115 177.136 177.300 -0.083 0.000 1.187 532 P CA 0.871 63.862 63.100 -0.182 0.000 0.766 532 P CB -0.040 31.537 31.700 -0.204 0.000 0.820 533 H N -1.138 117.968 119.070 0.061 0.000 2.826 533 H HA -0.199 4.358 4.556 0.001 0.000 0.306 533 H C 0.084 175.466 175.328 0.090 0.000 1.235 533 H CA 0.089 56.175 56.048 0.064 0.000 1.150 533 H CB -2.394 27.398 29.762 0.049 0.000 1.409 533 H HN 0.421 nan 8.280 nan 0.000 0.420 534 F N 2.507 122.448 119.950 -0.015 0.000 2.612 534 F HA 0.104 4.632 4.527 0.001 0.000 0.389 534 F C 0.609 176.419 175.800 0.016 0.000 1.055 534 F CA 0.151 58.098 58.000 -0.088 0.000 1.232 534 F CB 0.489 39.323 39.000 -0.276 0.000 1.044 534 F HN 0.156 nan 8.300 nan 0.000 0.560 535 D N 6.113 126.161 120.400 -0.587 0.000 2.454 535 D HA 0.118 4.759 4.640 0.001 0.000 0.247 535 D C 0.587 176.558 176.300 -0.548 0.000 1.129 535 D CA -0.561 53.217 54.000 -0.370 0.000 0.877 535 D CB 0.999 41.728 40.800 -0.117 0.000 1.082 535 D HN 0.692 nan 8.370 nan 0.000 0.537 536 K N 0.970 121.081 120.400 -0.481 0.000 2.519 536 K HA -0.101 4.220 4.320 0.001 0.000 0.196 536 K C 1.038 177.655 176.600 0.028 0.000 1.041 536 K CA 1.029 57.205 56.287 -0.185 0.000 0.954 536 K CB -0.019 32.519 32.500 0.062 0.000 0.774 536 K HN 0.172 nan 8.250 nan 0.000 0.480 537 S N -0.183 115.491 115.700 -0.043 0.000 2.575 537 S HA 0.126 4.597 4.470 0.001 0.000 0.215 537 S C 0.164 174.732 174.600 -0.053 0.000 0.966 537 S CA -0.628 57.560 58.200 -0.020 0.000 0.911 537 S CB 0.033 63.214 63.200 -0.031 0.000 0.780 537 S HN 0.186 nan 8.310 nan 0.000 0.514 538 K N 1.377 121.722 120.400 -0.092 0.000 2.123 538 K HA 0.435 4.756 4.320 0.001 0.000 0.248 538 K C -0.652 175.857 176.600 -0.152 0.000 0.969 538 K CA -0.827 55.336 56.287 -0.208 0.000 0.882 538 K CB 0.812 33.053 32.500 -0.433 0.000 1.080 538 K HN 0.024 nan 8.250 nan 0.000 0.441 539 K N 2.456 122.726 120.400 -0.218 0.000 2.240 539 K HA 0.276 4.596 4.320 0.001 0.000 0.271 539 K C -0.723 175.732 176.600 -0.243 0.000 1.018 539 K CA -0.329 55.894 56.287 -0.108 0.000 0.874 539 K CB 0.601 33.045 32.500 -0.094 0.000 1.098 539 K HN 0.470 nan 8.250 nan 0.000 0.458 540 Y N 2.845 123.154 120.300 0.016 0.000 2.420 540 Y HA 0.279 4.830 4.550 0.001 0.000 0.334 540 Y C -1.738 174.090 175.900 -0.119 0.000 1.094 540 Y CA -2.289 55.802 58.100 -0.016 0.000 1.126 540 Y CB 1.172 39.690 38.460 0.097 0.000 1.217 540 Y HN 0.457 nan 8.280 nan 0.000 0.462 541 P HA 0.117 nan 4.420 nan 0.000 0.272 541 P C -1.117 176.038 177.300 -0.242 0.000 1.230 541 P CA -0.158 62.646 63.100 -0.493 0.000 0.788 541 P CB 1.454 32.431 31.700 -1.205 0.000 0.949 542 L N 2.291 123.399 121.223 -0.191 0.000 2.381 542 L HA 0.499 4.839 4.340 0.001 0.000 0.274 542 L C -1.128 175.917 176.870 0.292 0.000 0.988 542 L CA -1.140 53.745 54.840 0.074 0.000 0.824 542 L CB 1.701 43.817 42.059 0.095 0.000 1.263 542 L HN 0.160 nan 8.230 nan 0.000 0.410 543 L N 5.541 126.967 121.223 0.337 0.000 2.287 543 L HA 0.498 4.838 4.340 0.001 0.000 0.287 543 L C -1.196 175.915 176.870 0.402 0.000 1.022 543 L CA -0.307 54.791 54.840 0.430 0.000 0.814 543 L CB 1.513 43.790 42.059 0.364 0.000 1.217 543 L HN 0.625 nan 8.230 nan 0.000 0.420 544 L N 5.196 126.701 121.223 0.470 0.000 2.283 544 L HA 0.383 4.724 4.340 0.001 0.000 0.287 544 L C -0.573 176.541 176.870 0.406 0.000 1.073 544 L CA 0.200 55.306 54.840 0.444 0.000 0.822 544 L CB 0.503 42.867 42.059 0.508 0.000 1.186 544 L HN 0.661 nan 8.230 nan 0.000 0.436 545 D N 4.481 125.096 120.400 0.359 0.000 2.347 545 D HA 0.319 4.960 4.640 0.001 0.000 0.235 545 D C -0.775 175.610 176.300 0.141 0.000 1.149 545 D CA -0.143 53.993 54.000 0.226 0.000 0.850 545 D CB 1.108 42.104 40.800 0.327 0.000 1.061 545 D HN 0.329 nan 8.370 nan 0.000 0.487 546 V N 3.057 122.984 119.914 0.021 0.000 2.628 546 V HA 0.527 4.648 4.120 0.001 0.000 0.306 546 V C -0.711 175.474 176.094 0.151 0.000 1.045 546 V CA -0.529 61.844 62.300 0.122 0.000 0.905 546 V CB 1.544 33.438 31.823 0.119 0.000 0.997 546 V HN 0.624 nan 8.190 nan 0.000 0.436 547 Y N 4.458 124.829 120.300 0.117 0.000 2.891 547 Y HA 0.583 5.134 4.550 0.001 0.000 0.228 547 Y C 1.863 177.915 175.900 0.254 0.000 1.000 547 Y CA 1.414 59.615 58.100 0.168 0.000 1.491 547 Y CB 0.336 38.878 38.460 0.136 0.000 1.394 547 Y HN 1.284 nan 8.280 nan 0.000 0.477 548 A N 0.639 123.608 122.820 0.247 0.000 2.952 548 A HA -0.152 4.169 4.320 0.001 0.000 0.252 548 A C 0.870 178.368 177.584 -0.143 0.000 1.323 548 A CA 0.716 52.835 52.037 0.136 0.000 0.957 548 A CB -2.544 16.577 19.000 0.201 0.000 1.130 548 A HN 0.907 nan 8.150 nan 0.000 0.799 549 G N -0.372 108.115 108.800 -0.522 0.000 2.667 549 G HA2 0.470 4.431 3.960 0.001 0.000 0.250 549 G HA3 0.470 4.431 3.960 0.001 0.000 0.250 549 G C -1.898 172.694 174.900 -0.513 0.000 1.212 549 G CA -0.468 43.889 45.100 -1.239 0.000 0.874 549 G HN 0.402 nan 8.290 nan 0.000 0.561 550 P HA 0.055 nan 4.420 nan 0.000 0.263 550 P C 0.602 177.726 177.300 -0.293 0.000 1.195 550 P CA 0.117 62.920 63.100 -0.495 0.000 0.762 550 P CB 0.796 31.822 31.700 -1.124 0.000 0.799 551 C N 2.201 121.419 119.300 -0.136 0.000 4.475 551 C HA -0.144 4.316 4.460 0.001 0.000 0.280 551 C C 1.049 176.062 174.990 0.038 0.000 1.338 551 C CA 1.176 60.098 59.018 -0.160 0.000 1.893 551 C CB -2.630 24.904 27.740 -0.345 0.000 1.299 551 C HN 0.813 nan 8.230 nan 0.000 0.767 552 S N 0.025 115.803 115.700 0.131 0.000 2.632 552 S HA 0.610 5.081 4.470 0.001 0.000 0.267 552 S C -0.635 174.129 174.600 0.272 0.000 1.276 552 S CA 0.081 58.448 58.200 0.279 0.000 0.998 552 S CB 1.708 65.135 63.200 0.379 0.000 0.953 552 S HN 0.831 nan 8.310 nan 0.000 0.547 553 Q N -0.127 119.858 119.800 0.308 0.000 2.296 553 Q HA 0.362 4.702 4.340 0.001 0.000 0.254 553 Q C -0.866 175.264 176.000 0.216 0.000 0.936 553 Q CA -0.608 55.367 55.803 0.286 0.000 0.834 553 Q CB 1.118 30.088 28.738 0.386 0.000 1.340 553 Q HN 0.681 nan 8.270 nan 0.000 0.428 554 K N 1.097 121.621 120.400 0.207 0.000 2.373 554 K HA 0.351 4.671 4.320 0.001 0.000 0.200 554 K C -0.462 176.247 176.600 0.182 0.000 1.054 554 K CA 0.325 56.724 56.287 0.187 0.000 1.065 554 K CB 1.623 34.259 32.500 0.227 0.000 0.886 554 K HN 0.518 nan 8.250 nan 0.000 0.546 555 A N 2.765 125.703 122.820 0.197 0.000 2.256 555 A HA 0.463 4.784 4.320 0.001 0.000 0.317 555 A C -0.746 176.914 177.584 0.126 0.000 1.318 555 A CA -0.446 51.710 52.037 0.200 0.000 0.894 555 A CB 0.222 19.404 19.000 0.304 0.000 1.165 555 A HN 0.252 nan 8.150 nan 0.000 0.525 556 D N -0.038 120.408 120.400 0.078 0.000 2.759 556 D HA 0.389 5.030 4.640 0.001 0.000 0.321 556 D C 0.288 176.594 176.300 0.010 0.000 1.267 556 D CA 0.313 54.340 54.000 0.045 0.000 0.933 556 D CB 0.250 41.076 40.800 0.044 0.000 1.431 556 D HN 0.203 nan 8.370 nan 0.000 0.504 557 T N -2.286 112.282 114.554 0.023 0.000 3.186 557 T HA 0.340 4.691 4.350 0.001 0.000 0.257 557 T C 0.373 175.023 174.700 -0.083 0.000 1.029 557 T CA -0.351 61.757 62.100 0.014 0.000 0.916 557 T CB -0.600 68.324 68.868 0.093 0.000 1.041 557 T HN 0.277 nan 8.240 nan 0.000 0.562 558 V N 2.671 122.433 119.914 -0.253 0.000 2.555 558 V HA 0.308 4.429 4.120 0.001 0.000 0.286 558 V C 0.132 176.163 176.094 -0.104 0.000 1.044 558 V CA -0.966 61.156 62.300 -0.296 0.000 1.026 558 V CB 0.007 31.535 31.823 -0.493 0.000 0.981 558 V HN 0.568 nan 8.190 nan 0.000 0.480 559 F N 6.627 126.478 119.950 -0.164 0.000 2.467 559 F HA 0.488 5.016 4.527 0.001 0.000 0.362 559 F C 0.595 176.337 175.800 -0.097 0.000 1.090 559 F CA -0.027 57.903 58.000 -0.118 0.000 1.202 559 F CB 0.167 39.106 39.000 -0.102 0.000 1.113 559 F HN 0.436 nan 8.300 nan 0.000 0.541 560 R N 6.667 126.746 120.500 -0.702 0.000 2.686 560 R HA 0.529 4.869 4.340 0.001 0.000 0.283 560 R C -1.612 174.307 176.300 -0.635 0.000 0.978 560 R CA -1.053 54.771 56.100 -0.460 0.000 0.897 560 R CB 2.086 32.249 30.300 -0.227 0.000 1.192 560 R HN 0.652 nan 8.270 nan 0.000 0.457 561 L N 4.248 125.275 121.223 -0.327 0.000 2.301 561 L HA 0.416 4.756 4.340 0.001 0.000 0.278 561 L C -0.530 176.344 176.870 0.008 0.000 1.022 561 L CA -0.635 54.059 54.840 -0.244 0.000 0.854 561 L CB 0.546 42.605 42.059 0.000 0.000 1.226 561 L HN 0.764 nan 8.230 nan 0.000 0.429 562 N N 0.434 119.064 118.700 -0.117 0.000 3.479 562 N HA 0.162 4.903 4.740 0.001 0.000 0.336 562 N C 0.184 175.372 175.510 -0.537 0.000 1.623 562 N CA -0.874 52.023 53.050 -0.256 0.000 0.759 562 N CB 0.155 38.594 38.487 -0.081 0.000 2.016 562 N HN 0.304 nan 8.380 nan 0.000 0.637 563 W N 0.719 121.430 121.300 -0.982 0.000 2.338 563 W HA 0.159 4.819 4.660 0.001 0.000 0.304 563 W C 2.119 178.598 176.519 -0.066 0.000 1.212 563 W CA 2.930 59.944 57.345 -0.552 0.000 1.264 563 W CB -1.050 28.236 29.460 -0.289 0.000 1.142 563 W HN 0.705 nan 8.180 nan 0.000 0.512 564 A N -0.516 122.290 122.820 -0.024 0.000 1.978 564 A HA -0.228 4.092 4.320 0.001 0.000 0.220 564 A C 1.927 179.413 177.584 -0.162 0.000 1.170 564 A CA 2.556 54.516 52.037 -0.127 0.000 0.636 564 A CB -1.272 17.736 19.000 0.014 0.000 0.810 564 A HN 0.318 nan 8.150 nan 0.000 0.448 565 T N -1.294 113.173 114.554 -0.145 0.000 2.746 565 T HA -0.193 4.158 4.350 0.001 0.000 0.267 565 T C 1.812 176.518 174.700 0.010 0.000 1.039 565 T CA 1.681 63.663 62.100 -0.198 0.000 1.142 565 T CB -0.478 68.079 68.868 -0.518 0.000 0.866 565 T HN 0.700 nan 8.240 nan 0.000 0.444 566 Y N 2.154 122.521 120.300 0.111 0.000 2.163 566 Y HA -0.017 4.534 4.550 0.001 0.000 0.288 566 Y C 1.939 177.833 175.900 -0.010 0.000 1.136 566 Y CA 0.898 59.110 58.100 0.187 0.000 1.147 566 Y CB -0.783 37.792 38.460 0.192 0.000 0.987 566 Y HN 0.112 nan 8.280 nan 0.000 0.509 567 L N 0.308 121.107 121.223 -0.706 0.000 2.042 567 L HA -0.221 4.120 4.340 0.001 0.000 0.210 567 L C 2.851 179.480 176.870 -0.400 0.000 1.076 567 L CA 1.364 55.736 54.840 -0.780 0.000 0.749 567 L CB -1.051 40.590 42.059 -0.697 0.000 0.893 567 L HN 0.411 nan 8.230 nan 0.000 0.432 568 A N -1.098 121.568 122.820 -0.256 0.000 1.872 568 A HA -0.194 4.127 4.320 0.001 0.000 0.214 568 A C 2.535 180.060 177.584 -0.098 0.000 1.187 568 A CA 1.907 53.853 52.037 -0.152 0.000 0.614 568 A CB -0.664 18.246 19.000 -0.150 0.000 0.826 568 A HN 0.345 nan 8.150 nan 0.000 0.442 569 S N -1.440 114.217 115.700 -0.071 0.000 2.371 569 S HA -0.095 4.376 4.470 0.001 0.000 0.224 569 S C 1.974 176.597 174.600 0.039 0.000 1.029 569 S CA 2.136 60.343 58.200 0.012 0.000 0.978 569 S CB -0.366 62.891 63.200 0.096 0.000 0.833 569 S HN 0.563 nan 8.310 nan 0.000 0.466 570 T N 1.152 115.706 114.554 0.001 0.000 2.983 570 T HA 0.193 4.543 4.350 0.001 0.000 0.250 570 T C 1.304 175.984 174.700 -0.034 0.000 1.037 570 T CA 0.525 62.646 62.100 0.036 0.000 1.142 570 T CB -0.055 68.916 68.868 0.172 0.000 0.876 570 T HN 0.300 nan 8.240 nan 0.000 0.455 571 E N 1.206 121.300 120.200 -0.177 0.000 2.474 571 E HA 0.181 4.532 4.350 0.001 0.000 0.195 571 E C -0.065 176.525 176.600 -0.017 0.000 1.039 571 E CA -0.090 56.242 56.400 -0.113 0.000 0.881 571 E CB -0.254 29.311 29.700 -0.224 0.000 0.970 571 E HN 0.534 nan 8.360 nan 0.000 0.486 572 N N 0.763 119.467 118.700 0.008 0.000 2.727 572 N HA -0.196 4.545 4.740 0.001 0.000 0.249 572 N C -0.774 174.832 175.510 0.160 0.000 1.048 572 N CA 0.242 53.365 53.050 0.121 0.000 0.714 572 N CB -1.241 37.362 38.487 0.193 0.000 0.959 572 N HN 0.213 nan 8.380 nan 0.000 0.544 573 I N 0.930 121.525 120.570 0.042 0.000 2.359 573 I HA 0.319 4.490 4.170 0.001 0.000 0.294 573 I C 0.633 176.748 176.117 -0.004 0.000 0.987 573 I CA -0.852 60.478 61.300 0.049 0.000 1.225 573 I CB 1.185 39.220 38.000 0.058 0.000 1.366 573 I HN 0.039 nan 8.210 nan 0.000 0.466 574 I N 6.616 127.195 120.570 0.016 0.000 2.471 574 I HA 0.097 4.267 4.170 0.001 0.000 0.286 574 I C -0.285 175.838 176.117 0.010 0.000 1.079 574 I CA -0.215 61.060 61.300 -0.042 0.000 1.398 574 I CB 0.721 38.704 38.000 -0.028 0.000 1.403 574 I HN 0.204 nan 8.210 nan 0.000 0.530 575 V N 6.820 126.725 119.914 -0.015 0.000 2.328 575 V HA 0.625 4.745 4.120 0.001 0.000 0.278 575 V C 0.372 176.510 176.094 0.073 0.000 1.021 575 V CA -0.477 61.860 62.300 0.062 0.000 0.838 575 V CB 1.013 32.864 31.823 0.048 0.000 0.999 575 V HN 0.832 nan 8.190 nan 0.000 0.447 576 A N 4.041 126.942 122.820 0.135 0.000 2.340 576 A HA 0.932 5.252 4.320 0.001 0.000 0.331 576 A C -0.115 177.646 177.584 0.294 0.000 1.140 576 A CA -0.474 51.645 52.037 0.137 0.000 0.801 576 A CB 1.581 20.552 19.000 -0.048 0.000 1.234 576 A HN 0.694 nan 8.150 nan 0.000 0.469 577 S N -0.027 115.886 115.700 0.356 0.000 2.569 577 S HA 0.774 5.245 4.470 0.001 0.000 0.280 577 S C -1.439 173.524 174.600 0.605 0.000 1.111 577 S CA -0.320 58.134 58.200 0.423 0.000 0.887 577 S CB 1.373 64.758 63.200 0.307 0.000 1.095 577 S HN 0.753 nan 8.310 nan 0.000 0.476 578 F N 1.698 121.889 119.950 0.402 0.000 2.569 578 F HA 0.505 5.033 4.527 0.001 0.000 0.312 578 F C -1.573 174.436 175.800 0.348 0.000 1.109 578 F CA -0.877 57.381 58.000 0.431 0.000 0.919 578 F CB 1.573 40.785 39.000 0.352 0.000 1.211 578 F HN 0.393 nan 8.300 nan 0.000 0.446 579 D N 4.297 124.462 120.400 -0.390 0.000 2.454 579 D HA 0.409 5.050 4.640 0.001 0.000 0.225 579 D C 0.291 176.252 176.300 -0.566 0.000 1.081 579 D CA 0.089 53.938 54.000 -0.251 0.000 0.864 579 D CB 1.542 42.377 40.800 0.058 0.000 1.040 579 D HN 0.775 nan 8.370 nan 0.000 0.517 580 G N 1.308 109.859 108.800 -0.415 0.000 2.782 580 G HA2 0.320 4.281 3.960 0.001 0.000 0.201 580 G HA3 0.320 4.281 3.960 0.001 0.000 0.201 580 G C 0.103 174.997 174.900 -0.011 0.000 1.374 580 G CA -0.702 44.193 45.100 -0.343 0.000 1.039 580 G HN 0.279 nan 8.290 nan 0.000 0.576 581 R N -0.666 119.804 120.500 -0.049 0.000 2.623 581 R HA 0.367 4.708 4.340 0.001 0.000 0.271 581 R C 1.277 177.665 176.300 0.147 0.000 1.043 581 R CA 1.361 57.541 56.100 0.133 0.000 1.083 581 R CB 0.464 30.823 30.300 0.099 0.000 0.974 581 R HN 1.071 nan 8.270 nan 0.000 0.436 582 G N 1.067 109.955 108.800 0.145 0.000 2.225 582 G HA2 -0.344 3.617 3.960 0.001 0.000 0.254 582 G HA3 -0.344 3.617 3.960 0.001 0.000 0.254 582 G C 0.187 175.117 174.900 0.051 0.000 0.988 582 G CA 0.326 45.488 45.100 0.103 0.000 0.625 582 G HN 0.732 nan 8.290 nan 0.000 0.527 583 S N 0.276 116.019 115.700 0.072 0.000 2.600 583 S HA 0.661 5.132 4.470 0.001 0.000 0.265 583 S C 0.874 175.464 174.600 -0.016 0.000 1.325 583 S CA 0.418 58.652 58.200 0.058 0.000 1.002 583 S CB 1.766 65.031 63.200 0.108 0.000 0.921 583 S HN 1.651 nan 8.310 nan 0.000 0.554 584 G N -0.811 107.937 108.800 -0.086 0.000 2.511 584 G HA2 0.491 4.451 3.960 0.001 0.000 0.316 584 G HA3 0.491 4.451 3.960 0.001 0.000 0.316 584 G C -0.921 173.827 174.900 -0.253 0.000 1.210 584 G CA -0.964 43.895 45.100 -0.400 0.000 0.969 584 G HN 0.996 nan 8.290 nan 0.000 0.492 585 Y N -2.528 117.786 120.300 0.024 0.000 4.729 585 Y HA -0.213 4.338 4.550 0.001 0.000 0.239 585 Y C 1.359 177.277 175.900 0.030 0.000 1.043 585 Y CA 1.019 59.137 58.100 0.030 0.000 2.045 585 Y CB -2.171 36.321 38.460 0.053 0.000 1.599 585 Y HN 0.550 nan 8.280 nan 0.000 0.655 586 Q N 0.014 119.838 119.800 0.041 0.000 2.086 586 Q HA 0.508 4.848 4.340 0.001 0.000 0.220 586 Q C 0.958 176.862 176.000 -0.161 0.000 0.792 586 Q CA 0.204 56.041 55.803 0.057 0.000 1.062 586 Q CB 1.631 30.396 28.738 0.045 0.000 1.198 586 Q HN 0.594 nan 8.270 nan 0.000 0.466 587 G N 0.830 109.409 108.800 -0.368 0.000 2.699 587 G HA2 -0.194 3.766 3.960 0.001 0.000 0.686 587 G HA3 -0.194 3.766 3.960 0.001 0.000 0.686 587 G C -0.452 174.082 174.900 -0.611 0.000 1.301 587 G CA -0.479 44.130 45.100 -0.819 0.000 0.816 587 G HN 0.138 nan 8.290 nan 0.000 0.595 588 D N -0.095 119.900 120.400 -0.675 0.000 2.224 588 D HA -0.035 4.605 4.640 0.001 0.000 0.205 588 D C 2.217 178.238 176.300 -0.465 0.000 0.965 588 D CA 1.256 54.813 54.000 -0.738 0.000 0.852 588 D CB 0.010 40.312 40.800 -0.829 0.000 0.947 588 D HN 0.620 nan 8.370 nan 0.000 0.494 589 K N 0.694 120.876 120.400 -0.362 0.000 2.044 589 K HA -0.144 4.177 4.320 0.001 0.000 0.210 589 K C 2.023 178.551 176.600 -0.120 0.000 1.049 589 K CA 1.079 57.247 56.287 -0.198 0.000 0.927 589 K CB -0.103 32.293 32.500 -0.173 0.000 0.713 589 K HN 0.086 nan 8.250 nan 0.000 0.443 590 I N 0.336 120.825 120.570 -0.136 0.000 2.193 590 I HA -0.232 3.938 4.170 0.001 0.000 0.240 590 I C 2.691 178.804 176.117 -0.007 0.000 1.084 590 I CA 1.074 62.368 61.300 -0.010 0.000 1.365 590 I CB -0.149 37.857 38.000 0.009 0.000 1.064 590 I HN 0.323 nan 8.210 nan 0.000 0.410 591 M N 0.120 119.639 119.600 -0.135 0.000 2.086 591 M HA -0.244 4.237 4.480 0.001 0.000 0.261 591 M C 1.926 178.257 176.300 0.052 0.000 1.067 591 M CA 2.017 57.258 55.300 -0.098 0.000 1.116 591 M CB -0.327 32.111 32.600 -0.271 0.000 1.348 591 M HN 0.265 nan 8.290 nan 0.000 0.407 592 H N -0.739 118.230 119.070 -0.167 0.000 2.543 592 H HA 0.172 4.729 4.556 0.001 0.000 0.269 592 H C 1.802 177.151 175.328 0.035 0.000 1.005 592 H CA 0.071 56.031 56.048 -0.147 0.000 1.146 592 H CB 0.127 29.704 29.762 -0.307 0.000 1.353 592 H HN 0.522 nan 8.280 nan 0.000 0.595 593 A N 1.421 124.348 122.820 0.178 0.000 2.019 593 A HA -0.145 4.175 4.320 0.001 0.000 0.219 593 A C 1.938 179.732 177.584 0.350 0.000 1.164 593 A CA 1.252 53.417 52.037 0.215 0.000 0.644 593 A CB -0.517 18.573 19.000 0.150 0.000 0.805 593 A HN 0.470 nan 8.150 nan 0.000 0.449 594 I N -2.375 118.368 120.570 0.289 0.000 3.861 594 I HA 0.160 4.330 4.170 0.001 0.000 0.329 594 I C 0.402 176.600 176.117 0.134 0.000 1.321 594 I CA -0.599 60.819 61.300 0.197 0.000 1.126 594 I CB -0.784 37.299 38.000 0.139 0.000 1.018 594 I HN 0.194 nan 8.210 nan 0.000 0.407 595 N N 3.067 121.898 118.700 0.218 0.000 2.411 595 N HA -0.057 4.684 4.740 0.001 0.000 0.261 595 N C 0.226 175.755 175.510 0.031 0.000 1.248 595 N CA 0.272 53.442 53.050 0.200 0.000 0.885 595 N CB 0.285 38.863 38.487 0.152 0.000 1.062 595 N HN 0.386 nan 8.380 nan 0.000 0.471 596 R N 0.860 121.349 120.500 -0.018 0.000 3.994 596 R HA -0.142 4.199 4.340 0.001 0.000 0.403 596 R C -0.356 175.793 176.300 -0.251 0.000 1.126 596 R CA 0.775 56.819 56.100 -0.095 0.000 1.143 596 R CB -0.788 29.481 30.300 -0.052 0.000 1.695 596 R HN 0.646 nan 8.270 nan 0.000 0.555 597 R N 0.527 120.859 120.500 -0.281 0.000 2.647 597 R HA 0.276 4.617 4.340 0.001 0.000 0.295 597 R C -0.285 175.931 176.300 -0.141 0.000 1.267 597 R CA -0.247 55.528 56.100 -0.541 0.000 1.386 597 R CB 0.340 30.323 30.300 -0.527 0.000 1.309 597 R HN 0.089 nan 8.270 nan 0.000 0.692 598 L N -0.218 121.004 121.223 -0.002 0.000 2.467 598 L HA 0.194 4.535 4.340 0.001 0.000 0.270 598 L C 1.400 178.514 176.870 0.406 0.000 1.205 598 L CA 0.860 55.764 54.840 0.106 0.000 0.828 598 L CB 0.395 42.304 42.059 -0.250 0.000 1.101 598 L HN 0.678 nan 8.230 nan 0.000 0.479 599 G N 0.623 109.712 108.800 0.481 0.000 2.160 599 G HA2 -0.297 3.664 3.960 0.001 0.000 0.251 599 G HA3 -0.297 3.664 3.960 0.001 0.000 0.251 599 G C 0.463 175.457 174.900 0.157 0.000 1.008 599 G CA 0.639 45.959 45.100 0.367 0.000 0.724 599 G HN 0.877 nan 8.290 nan 0.000 0.514 600 T N -3.621 110.983 114.554 0.082 0.000 3.066 600 T HA 0.483 4.833 4.350 0.001 0.000 0.176 600 T C 1.627 176.307 174.700 -0.033 0.000 0.826 600 T CA 0.878 62.920 62.100 -0.097 0.000 1.280 600 T CB -0.018 68.598 68.868 -0.420 0.000 2.214 600 T HN 0.133 nan 8.240 nan 0.000 0.399 601 F N 3.341 123.330 119.950 0.066 0.000 2.216 601 F HA 0.110 4.638 4.527 0.001 0.000 0.300 601 F C 2.786 178.615 175.800 0.049 0.000 1.085 601 F CA 1.041 59.066 58.000 0.042 0.000 1.326 601 F CB -0.637 38.384 39.000 0.034 0.000 1.027 601 F HN 0.535 nan 8.300 nan 0.000 0.497 602 E N 0.675 121.023 120.200 0.247 0.000 2.152 602 E HA -0.109 4.242 4.350 0.001 0.000 0.192 602 E C 2.068 178.770 176.600 0.169 0.000 0.983 602 E CA 1.365 57.885 56.400 0.201 0.000 0.818 602 E CB -0.969 28.854 29.700 0.204 0.000 0.758 602 E HN 0.296 nan 8.360 nan 0.000 0.467 603 V N 1.795 121.785 119.914 0.127 0.000 2.323 603 V HA -0.195 3.925 4.120 0.001 0.000 0.244 603 V C 2.355 178.483 176.094 0.057 0.000 1.041 603 V CA 2.019 64.350 62.300 0.051 0.000 1.025 603 V CB -0.603 31.203 31.823 -0.028 0.000 0.656 603 V HN 0.205 nan 8.190 nan 0.000 0.451 604 E N 0.266 120.517 120.200 0.084 0.000 2.097 604 E HA -0.267 4.084 4.350 0.001 0.000 0.196 604 E C 1.907 178.539 176.600 0.054 0.000 1.000 604 E CA 1.660 58.108 56.400 0.080 0.000 0.804 604 E CB -0.210 29.575 29.700 0.142 0.000 0.740 604 E HN 0.583 nan 8.360 nan 0.000 0.454 605 D N 0.180 120.630 120.400 0.083 0.000 2.183 605 D HA -0.115 4.526 4.640 0.001 0.000 0.203 605 D C 2.024 178.342 176.300 0.031 0.000 0.969 605 D CA 0.674 54.708 54.000 0.056 0.000 0.842 605 D CB -0.113 40.760 40.800 0.121 0.000 0.957 605 D HN 0.087 nan 8.370 nan 0.000 0.484 606 Q N 0.281 120.157 119.800 0.126 0.000 2.084 606 Q HA -0.073 4.268 4.340 0.001 0.000 0.202 606 Q C 2.559 178.593 176.000 0.058 0.000 0.978 606 Q CA 0.648 56.523 55.803 0.119 0.000 0.844 606 Q CB -0.264 28.563 28.738 0.148 0.000 0.898 606 Q HN 0.425 nan 8.270 nan 0.000 0.426 607 I N 0.656 121.272 120.570 0.076 0.000 2.179 607 I HA -0.270 3.901 4.170 0.001 0.000 0.242 607 I C 2.440 178.511 176.117 -0.076 0.000 1.088 607 I CA 1.276 62.651 61.300 0.124 0.000 1.357 607 I CB -0.243 37.821 38.000 0.108 0.000 1.051 607 I HN 0.162 nan 8.210 nan 0.000 0.409 608 E N 1.542 121.649 120.200 -0.155 0.000 2.077 608 E HA -0.219 4.132 4.350 0.001 0.000 0.193 608 E C 2.124 178.423 176.600 -0.502 0.000 0.989 608 E CA 1.764 58.004 56.400 -0.265 0.000 0.800 608 E CB -0.220 29.350 29.700 -0.218 0.000 0.746 608 E HN 0.407 nan 8.360 nan 0.000 0.452 609 A N 0.884 123.236 122.820 -0.780 0.000 1.883 609 A HA -0.118 4.203 4.320 0.001 0.000 0.217 609 A C 2.483 179.266 177.584 -1.335 0.000 1.186 609 A CA 2.438 53.665 52.037 -1.349 0.000 0.624 609 A CB -1.193 16.749 19.000 -1.764 0.000 0.822 609 A HN 0.419 nan 8.150 nan 0.000 0.444 610 A N -0.616 121.804 122.820 -0.666 0.000 1.902 610 A HA -0.166 4.155 4.320 0.001 0.000 0.217 610 A C 2.250 179.609 177.584 -0.375 0.000 1.181 610 A CA 1.721 53.538 52.037 -0.367 0.000 0.623 610 A CB -0.543 18.363 19.000 -0.157 0.000 0.818 610 A HN 0.548 nan 8.150 nan 0.000 0.443 611 R N -0.478 119.806 120.500 -0.359 0.000 2.096 611 R HA -0.217 4.124 4.340 0.001 0.000 0.240 611 R C 2.439 178.576 176.300 -0.273 0.000 1.139 611 R CA 2.080 58.012 56.100 -0.280 0.000 0.952 611 R CB -0.308 29.858 30.300 -0.223 0.000 0.854 611 R HN 0.715 nan 8.270 nan 0.000 0.436 612 Q N -0.749 118.828 119.800 -0.373 0.000 2.046 612 Q HA -0.159 4.182 4.340 0.001 0.000 0.200 612 Q C 2.081 177.962 176.000 -0.198 0.000 0.975 612 Q CA 1.480 57.097 55.803 -0.311 0.000 0.836 612 Q CB -0.175 28.334 28.738 -0.382 0.000 0.896 612 Q HN 0.304 nan 8.270 nan 0.000 0.428 613 F N 1.196 120.980 119.950 -0.276 0.000 2.120 613 F HA -0.219 4.309 4.527 0.001 0.000 0.300 613 F C 2.761 178.396 175.800 -0.275 0.000 1.095 613 F CA 1.448 59.280 58.000 -0.281 0.000 1.249 613 F CB -1.440 37.427 39.000 -0.222 0.000 0.995 613 F HN 0.109 nan 8.300 nan 0.000 0.480 614 S N -0.412 115.248 115.700 -0.066 0.000 2.474 614 S HA -0.140 4.331 4.470 0.001 0.000 0.235 614 S C 1.624 176.139 174.600 -0.142 0.000 0.997 614 S CA 0.856 58.983 58.200 -0.122 0.000 0.949 614 S CB -0.506 62.599 63.200 -0.158 0.000 0.766 614 S HN 0.461 nan 8.310 nan 0.000 0.517 615 K N -0.154 120.158 120.400 -0.147 0.000 2.367 615 K HA 0.330 4.651 4.320 0.001 0.000 0.194 615 K C 0.161 176.662 176.600 -0.165 0.000 1.027 615 K CA -0.094 56.111 56.287 -0.137 0.000 1.075 615 K CB 0.066 32.496 32.500 -0.116 0.000 0.845 615 K HN 0.435 nan 8.250 nan 0.000 0.529 616 M N -0.134 119.316 119.600 -0.250 0.000 2.243 616 M HA 0.046 4.526 4.480 0.001 0.000 0.341 616 M C 1.503 177.552 176.300 -0.418 0.000 1.130 616 M CA 0.034 55.090 55.300 -0.407 0.000 1.162 616 M CB 1.066 33.201 32.600 -0.774 0.000 1.497 616 M HN 0.159 nan 8.290 nan 0.000 0.456 617 G N 1.746 110.373 108.800 -0.289 0.000 2.471 617 G HA2 -0.150 3.810 3.960 0.001 0.000 0.219 617 G HA3 -0.150 3.810 3.960 0.001 0.000 0.219 617 G C 0.760 175.638 174.900 -0.036 0.000 1.125 617 G CA 0.549 45.586 45.100 -0.105 0.000 0.775 617 G HN 0.796 nan 8.290 nan 0.000 0.548 618 F N -0.372 119.633 119.950 0.092 0.000 2.664 618 F HA 0.589 5.116 4.527 0.001 0.000 0.303 618 F C -0.092 175.826 175.800 0.197 0.000 1.092 618 F CA -1.387 56.707 58.000 0.157 0.000 1.305 618 F CB -0.157 39.006 39.000 0.272 0.000 1.054 618 F HN -0.182 nan 8.300 nan 0.000 0.565 619 V N 1.699 121.578 119.914 -0.059 0.000 2.435 619 V HA 0.197 4.317 4.120 0.001 0.000 0.290 619 V C -0.655 175.413 176.094 -0.045 0.000 1.030 619 V CA -0.815 61.480 62.300 -0.008 0.000 0.881 619 V CB 1.435 33.187 31.823 -0.119 0.000 0.983 619 V HN 0.047 nan 8.190 nan 0.000 0.445 620 D N 3.960 124.335 120.400 -0.043 0.000 2.374 620 D HA 0.047 4.688 4.640 0.001 0.000 0.240 620 D C 1.224 177.466 176.300 -0.097 0.000 1.229 620 D CA -0.234 53.714 54.000 -0.087 0.000 0.895 620 D CB 0.728 41.455 40.800 -0.123 0.000 1.046 620 D HN 0.647 nan 8.370 nan 0.000 0.498 621 N N 3.656 122.302 118.700 -0.090 0.000 2.520 621 N HA -0.178 4.563 4.740 0.001 0.000 0.185 621 N C 0.787 176.249 175.510 -0.079 0.000 1.068 621 N CA 0.969 53.962 53.050 -0.096 0.000 0.911 621 N CB -0.113 38.314 38.487 -0.100 0.000 0.961 621 N HN 0.351 nan 8.380 nan 0.000 0.446 622 K N -0.436 119.926 120.400 -0.064 0.000 2.418 622 K HA 0.153 4.473 4.320 0.001 0.000 0.195 622 K C 0.204 176.800 176.600 -0.008 0.000 1.035 622 K CA 0.327 56.594 56.287 -0.033 0.000 1.003 622 K CB 0.314 32.796 32.500 -0.030 0.000 0.793 622 K HN 0.150 nan 8.250 nan 0.000 0.494 623 R N 1.225 121.690 120.500 -0.059 0.000 2.651 623 R HA 0.355 4.696 4.340 0.001 0.000 0.282 623 R C -1.056 175.188 176.300 -0.093 0.000 1.565 623 R CA -0.129 55.921 56.100 -0.083 0.000 1.661 623 R CB 0.613 30.692 30.300 -0.367 0.000 1.189 623 R HN -0.002 nan 8.270 nan 0.000 0.621 624 I N 1.160 121.806 120.570 0.127 0.000 2.436 624 I HA 0.564 4.735 4.170 0.001 0.000 0.289 624 I C -0.098 176.295 176.117 0.460 0.000 1.010 624 I CA -0.752 60.665 61.300 0.194 0.000 1.098 624 I CB 2.006 39.972 38.000 -0.056 0.000 1.266 624 I HN 0.343 nan 8.210 nan 0.000 0.434 625 A N 6.857 130.058 122.820 0.636 0.000 2.387 625 A HA 0.926 5.247 4.320 0.001 0.000 0.303 625 A C -1.186 176.773 177.584 0.626 0.000 1.145 625 A CA -0.654 51.751 52.037 0.613 0.000 0.801 625 A CB 2.014 21.272 19.000 0.430 0.000 1.342 625 A HN 0.724 nan 8.150 nan 0.000 0.440 626 I N 0.513 121.353 120.570 0.450 0.000 2.722 626 I HA 0.711 4.882 4.170 0.001 0.000 0.295 626 I C -1.825 174.546 176.117 0.423 0.000 1.161 626 I CA -0.558 60.929 61.300 0.311 0.000 1.032 626 I CB 1.625 39.508 38.000 -0.196 0.000 1.244 626 I HN 0.921 nan 8.210 nan 0.000 0.421 627 W N 7.033 128.463 121.300 0.217 0.000 3.118 627 W HA 0.857 5.517 4.660 0.001 0.000 0.328 627 W C -1.458 175.212 176.519 0.252 0.000 1.239 627 W CA -0.986 56.499 57.345 0.234 0.000 1.176 627 W CB 1.088 30.742 29.460 0.324 0.000 1.433 627 W HN 0.825 nan 8.180 nan 0.000 0.562 628 G N 0.731 109.490 108.800 -0.069 0.000 2.576 628 G HA2 0.479 4.440 3.960 0.001 0.000 0.290 628 G HA3 0.479 4.440 3.960 0.001 0.000 0.290 628 G C -2.827 172.038 174.900 -0.059 0.000 1.442 628 G CA -0.729 44.169 45.100 -0.337 0.000 0.792 628 G HN 0.624 nan 8.290 nan 0.000 0.491 629 W N 0.836 122.021 121.300 -0.192 0.000 2.736 629 W HA 0.620 5.281 4.660 0.001 0.000 0.335 629 W C 0.704 177.261 176.519 0.063 0.000 1.059 629 W CA 0.382 57.702 57.345 -0.042 0.000 1.226 629 W CB 1.893 31.331 29.460 -0.037 0.000 1.416 629 W HN 1.359 nan 8.180 nan 0.000 0.505 630 S N 2.621 118.554 115.700 0.388 0.000 4.069 630 S HA -0.417 4.053 4.470 0.001 0.000 0.626 630 S C 1.056 175.772 174.600 0.193 0.000 2.000 630 S CA 1.535 59.999 58.200 0.440 0.000 4.174 630 S CB -1.847 61.767 63.200 0.690 0.000 0.210 630 S HN 0.745 nan 8.310 nan 0.000 0.602 631 Y N 2.258 122.559 120.300 0.002 0.000 2.193 631 Y HA -0.005 4.546 4.550 0.001 0.000 0.285 631 Y C 2.420 178.195 175.900 -0.207 0.000 1.166 631 Y CA 2.833 60.787 58.100 -0.243 0.000 1.181 631 Y CB -1.057 37.017 38.460 -0.643 0.000 0.976 631 Y HN 0.570 nan 8.280 nan 0.000 0.520 632 G N -1.112 107.654 108.800 -0.057 0.000 2.448 632 G HA2 -0.209 3.752 3.960 0.001 0.000 0.219 632 G HA3 -0.209 3.752 3.960 0.001 0.000 0.219 632 G C 1.897 176.815 174.900 0.031 0.000 1.127 632 G CA 0.720 45.843 45.100 0.039 0.000 0.766 632 G HN 0.590 nan 8.290 nan 0.000 0.552 633 G N -0.031 108.799 108.800 0.050 0.000 2.402 633 G HA2 -0.245 3.715 3.960 0.001 0.000 0.216 633 G HA3 -0.245 3.715 3.960 0.001 0.000 0.216 633 G C 1.582 176.492 174.900 0.016 0.000 1.162 633 G CA 1.072 46.191 45.100 0.033 0.000 0.777 633 G HN 0.415 nan 8.290 nan 0.000 0.539 634 Y N 1.424 121.610 120.300 -0.191 0.000 2.097 634 Y HA -0.169 4.382 4.550 0.001 0.000 0.282 634 Y C 2.796 178.583 175.900 -0.187 0.000 1.152 634 Y CA 1.831 59.764 58.100 -0.277 0.000 1.136 634 Y CB -0.516 37.618 38.460 -0.544 0.000 0.975 634 Y HN 0.032 nan 8.280 nan 0.000 0.498 635 V N -0.319 119.448 119.914 -0.246 0.000 2.343 635 V HA -0.321 3.800 4.120 0.001 0.000 0.247 635 V C 2.321 178.290 176.094 -0.208 0.000 1.051 635 V CA 2.386 64.539 62.300 -0.245 0.000 1.036 635 V CB -1.201 30.628 31.823 0.010 0.000 0.654 635 V HN 0.499 nan 8.190 nan 0.000 0.451 636 T N 0.002 114.489 114.554 -0.112 0.000 2.684 636 T HA -0.209 4.141 4.350 0.001 0.000 0.267 636 T C 2.139 176.770 174.700 -0.115 0.000 1.036 636 T CA 2.069 64.117 62.100 -0.088 0.000 1.148 636 T CB -0.288 68.609 68.868 0.048 0.000 0.863 636 T HN 0.532 nan 8.240 nan 0.000 0.436 637 S N 1.108 116.775 115.700 -0.055 0.000 2.368 637 S HA -0.025 4.446 4.470 0.001 0.000 0.225 637 S C 2.153 176.657 174.600 -0.159 0.000 1.030 637 S CA 0.955 59.150 58.200 -0.007 0.000 0.999 637 S CB -0.290 62.958 63.200 0.080 0.000 0.844 637 S HN 0.330 nan 8.310 nan 0.000 0.459 638 M N 0.988 120.398 119.600 -0.316 0.000 2.159 638 M HA -0.033 4.448 4.480 0.001 0.000 0.263 638 M C 2.217 178.343 176.300 -0.290 0.000 1.063 638 M CA 1.060 56.157 55.300 -0.338 0.000 1.110 638 M CB -1.456 30.843 32.600 -0.501 0.000 1.374 638 M HN 0.177 nan 8.290 nan 0.000 0.411 639 V N 0.624 120.358 119.914 -0.301 0.000 2.295 639 V HA -0.236 3.884 4.120 0.001 0.000 0.246 639 V C 2.500 178.376 176.094 -0.363 0.000 1.049 639 V CA 1.439 63.558 62.300 -0.302 0.000 1.024 639 V CB -0.625 30.951 31.823 -0.412 0.000 0.648 639 V HN 0.403 nan 8.190 nan 0.000 0.447 640 L N 0.318 121.247 121.223 -0.491 0.000 2.291 640 L HA -0.003 4.338 4.340 0.001 0.000 0.214 640 L C 2.231 178.475 176.870 -1.045 0.000 1.120 640 L CA 1.318 55.752 54.840 -0.678 0.000 0.799 640 L CB -0.651 40.974 42.059 -0.724 0.000 0.925 640 L HN 0.479 nan 8.230 nan 0.000 0.446 641 G N -1.315 106.910 108.800 -0.959 0.000 3.141 641 G HA2 -0.069 3.892 3.960 0.001 0.000 0.218 641 G HA3 -0.069 3.892 3.960 0.001 0.000 0.218 641 G C 1.502 176.239 174.900 -0.271 0.000 1.170 641 G CA 0.595 45.320 45.100 -0.626 0.000 0.769 641 G HN 0.432 nan 8.290 nan 0.000 0.546 642 S N -0.762 114.793 115.700 -0.241 0.000 2.496 642 S HA 0.304 4.774 4.470 0.001 0.000 0.224 642 S C 1.958 176.508 174.600 -0.083 0.000 0.996 642 S CA 1.025 59.150 58.200 -0.125 0.000 0.927 642 S CB -0.075 63.069 63.200 -0.092 0.000 0.774 642 S HN 1.341 nan 8.310 nan 0.000 0.524 643 G N 1.402 110.143 108.800 -0.098 0.000 2.148 643 G HA2 -0.352 3.608 3.960 0.001 0.000 0.254 643 G HA3 -0.352 3.608 3.960 0.001 0.000 0.254 643 G C 1.023 175.908 174.900 -0.025 0.000 0.981 643 G CA 0.994 46.062 45.100 -0.055 0.000 0.670 643 G HN 1.261 nan 8.290 nan 0.000 0.528 644 S N -0.427 115.269 115.700 -0.007 0.000 2.399 644 S HA 0.263 4.734 4.470 0.001 0.000 0.231 644 S C 2.638 177.241 174.600 0.004 0.000 1.022 644 S CA 1.880 60.090 58.200 0.015 0.000 0.983 644 S CB -0.372 62.870 63.200 0.070 0.000 0.803 644 S HN 2.452 nan 8.310 nan 0.000 0.480 645 G N -0.170 108.640 108.800 0.017 0.000 2.184 645 G HA2 -0.289 3.672 3.960 0.001 0.000 0.264 645 G HA3 -0.289 3.672 3.960 0.001 0.000 0.264 645 G C 0.788 175.671 174.900 -0.029 0.000 0.975 645 G CA 0.452 45.552 45.100 0.001 0.000 0.642 645 G HN 0.739 nan 8.290 nan 0.000 0.536 646 V N -0.483 119.392 119.914 -0.066 0.000 2.591 646 V HA 0.246 4.367 4.120 0.001 0.000 0.249 646 V C 1.196 177.038 176.094 -0.419 0.000 1.053 646 V CA 1.512 63.625 62.300 -0.311 0.000 1.068 646 V CB -0.353 31.153 31.823 -0.529 0.000 0.689 646 V HN 0.317 nan 8.190 nan 0.000 0.462 647 F N -0.094 119.868 119.950 0.020 0.000 2.436 647 F HA 0.396 4.923 4.527 0.001 0.000 0.340 647 F C 1.113 176.959 175.800 0.077 0.000 1.113 647 F CA -0.527 57.514 58.000 0.068 0.000 1.022 647 F CB 1.404 40.446 39.000 0.069 0.000 1.128 647 F HN -0.255 nan 8.300 nan 0.000 0.466 648 K N 1.747 122.308 120.400 0.268 0.000 2.116 648 K HA 0.047 4.367 4.320 0.001 0.000 0.203 648 K C -0.106 176.629 176.600 0.226 0.000 1.052 648 K CA 0.988 57.399 56.287 0.207 0.000 0.952 648 K CB 0.200 32.822 32.500 0.203 0.000 0.729 648 K HN 0.800 nan 8.250 nan 0.000 0.446 649 c N -2.803 115.974 118.600 0.294 0.000 3.311 649 c HA 0.888 5.459 4.570 0.001 0.000 0.325 649 c C -0.200 174.127 174.090 0.395 0.000 1.352 649 c CA -0.681 55.847 56.329 0.331 0.000 1.308 649 c CB 1.150 43.784 42.510 0.206 0.000 1.619 649 c HN 0.343 nan 8.230 nan 0.000 0.469 650 G N 0.063 109.156 108.800 0.487 0.000 2.646 650 G HA2 0.737 4.697 3.960 0.001 0.000 0.291 650 G HA3 0.737 4.697 3.960 0.001 0.000 0.291 650 G C -2.002 173.119 174.900 0.367 0.000 1.445 650 G CA -0.752 44.602 45.100 0.425 0.000 0.814 650 G HN 0.995 nan 8.290 nan 0.000 0.495 651 I N 0.682 121.437 120.570 0.309 0.000 2.466 651 I HA 0.617 4.788 4.170 0.001 0.000 0.289 651 I C 0.196 176.431 176.117 0.197 0.000 1.026 651 I CA -0.930 60.436 61.300 0.110 0.000 1.078 651 I CB 2.241 40.292 38.000 0.084 0.000 1.249 651 I HN 0.641 nan 8.210 nan 0.000 0.429 652 A N 6.464 129.295 122.820 0.018 0.000 2.303 652 A HA 0.804 5.125 4.320 0.001 0.000 0.320 652 A C -0.719 176.784 177.584 -0.135 0.000 1.192 652 A CA -0.521 51.536 52.037 0.033 0.000 0.821 652 A CB 1.108 20.182 19.000 0.124 0.000 1.188 652 A HN 0.448 nan 8.150 nan 0.000 0.492 653 V N 1.967 121.759 119.914 -0.202 0.000 2.417 653 V HA 0.583 4.704 4.120 0.001 0.000 0.291 653 V C 0.960 176.677 176.094 -0.629 0.000 1.024 653 V CA 0.214 62.172 62.300 -0.568 0.000 0.861 653 V CB 0.895 32.057 31.823 -1.102 0.000 0.985 653 V HN 2.085 nan 8.190 nan 0.000 0.436 654 A N 5.373 127.789 122.820 -0.673 0.000 2.462 654 A HA -0.109 4.211 4.320 0.001 0.000 0.294 654 A C -1.725 175.708 177.584 -0.251 0.000 1.461 654 A CA 0.447 52.008 52.037 -0.792 0.000 0.765 654 A CB -1.569 17.094 19.000 -0.562 0.000 1.071 654 A HN 0.628 nan 8.150 nan 0.000 0.401 655 P HA 0.390 nan 4.420 nan 0.000 0.278 655 P C 0.269 177.544 177.300 -0.043 0.000 1.238 655 P CA -0.161 62.919 63.100 -0.034 0.000 0.794 655 P CB 1.238 32.938 31.700 -0.000 0.000 0.955 656 V N 2.667 122.460 119.914 -0.202 0.000 2.740 656 V HA 0.020 4.141 4.120 0.001 0.000 0.303 656 V C 1.773 177.687 176.094 -0.300 0.000 1.054 656 V CA 1.223 63.258 62.300 -0.442 0.000 1.106 656 V CB 0.518 31.676 31.823 -1.109 0.000 0.957 656 V HN 0.844 nan 8.190 nan 0.000 0.486 657 S N 3.526 119.062 115.700 -0.273 0.000 2.593 657 S HA 0.288 4.759 4.470 0.001 0.000 0.235 657 S C 0.531 174.956 174.600 -0.292 0.000 1.059 657 S CA -0.370 57.741 58.200 -0.149 0.000 0.953 657 S CB 0.353 63.528 63.200 -0.042 0.000 0.897 657 S HN 0.715 nan 8.310 nan 0.000 0.507 658 R N -0.772 119.417 120.500 -0.519 0.000 2.508 658 R HA 0.332 4.673 4.340 0.001 0.000 0.283 658 R C -1.091 174.877 176.300 -0.552 0.000 1.120 658 R CA -0.644 55.104 56.100 -0.588 0.000 0.958 658 R CB 0.439 30.216 30.300 -0.871 0.000 1.215 658 R HN 0.250 nan 8.270 nan 0.000 0.427 659 W N 2.082 123.289 121.300 -0.154 0.000 2.392 659 W HA -0.040 4.620 4.660 0.001 0.000 0.279 659 W C 1.294 177.949 176.519 0.227 0.000 1.225 659 W CA 0.645 57.986 57.345 -0.006 0.000 1.233 659 W CB 0.360 29.718 29.460 -0.171 0.000 1.122 659 W HN 0.698 nan 8.180 nan 0.000 0.561 660 E N -0.862 119.536 120.200 0.331 0.000 2.333 660 E HA -0.208 4.143 4.350 0.001 0.000 0.198 660 E C 1.288 178.048 176.600 0.266 0.000 1.007 660 E CA 0.869 57.402 56.400 0.221 0.000 0.845 660 E CB -0.219 29.506 29.700 0.042 0.000 0.766 660 E HN 0.379 nan 8.360 nan 0.000 0.507 661 Y N -1.606 118.790 120.300 0.160 0.000 2.517 661 Y HA 0.058 4.608 4.550 0.001 0.000 0.281 661 Y C 0.737 176.742 175.900 0.175 0.000 1.125 661 Y CA -0.259 57.907 58.100 0.110 0.000 1.283 661 Y CB -0.439 38.030 38.460 0.015 0.000 1.042 661 Y HN 0.016 nan 8.280 nan 0.000 0.547 662 Y N 1.823 122.287 120.300 0.272 0.000 2.408 662 Y HA 0.304 4.855 4.550 0.001 0.000 0.324 662 Y C 0.249 176.367 175.900 0.363 0.000 1.302 662 Y CA -2.051 56.218 58.100 0.281 0.000 1.384 662 Y CB 0.406 39.062 38.460 0.327 0.000 1.367 662 Y HN 0.170 nan 8.280 nan 0.000 0.525 663 D N -0.693 119.412 120.400 -0.491 0.000 2.339 663 D HA 0.132 4.773 4.640 0.001 0.000 0.245 663 D C 0.871 177.150 176.300 -0.035 0.000 1.115 663 D CA 0.245 54.038 54.000 -0.345 0.000 0.917 663 D CB 1.071 41.428 40.800 -0.739 0.000 1.192 663 D HN 0.481 nan 8.370 nan 0.000 0.428 664 S N 1.173 116.865 115.700 -0.014 0.000 2.353 664 S HA -0.225 4.245 4.470 0.001 0.000 0.222 664 S C 1.916 176.546 174.600 0.050 0.000 1.035 664 S CA 1.208 59.453 58.200 0.074 0.000 1.025 664 S CB -1.017 62.233 63.200 0.082 0.000 0.902 664 S HN 0.434 nan 8.310 nan 0.000 0.440 665 V N 0.900 120.785 119.914 -0.049 0.000 2.255 665 V HA -0.180 3.941 4.120 0.001 0.000 0.247 665 V C 2.305 178.310 176.094 -0.149 0.000 1.051 665 V CA 2.227 64.398 62.300 -0.213 0.000 1.018 665 V CB -1.140 30.397 31.823 -0.476 0.000 0.641 665 V HN 0.577 nan 8.190 nan 0.000 0.445 666 Y N 1.384 121.624 120.300 -0.100 0.000 2.133 666 Y HA -0.247 4.304 4.550 0.001 0.000 0.287 666 Y C 2.750 178.642 175.900 -0.012 0.000 1.134 666 Y CA 2.420 60.539 58.100 0.031 0.000 1.133 666 Y CB -0.602 38.086 38.460 0.380 0.000 0.987 666 Y HN 0.218 nan 8.280 nan 0.000 0.502 667 T N 0.294 115.061 114.554 0.355 0.000 2.674 667 T HA -0.201 4.150 4.350 0.001 0.000 0.265 667 T C 1.559 176.227 174.700 -0.053 0.000 1.039 667 T CA 1.933 64.173 62.100 0.233 0.000 1.150 667 T CB -0.329 68.831 68.868 0.485 0.000 0.864 667 T HN 0.430 nan 8.240 nan 0.000 0.427 668 E N 0.526 120.728 120.200 0.004 0.000 2.268 668 E HA -0.080 4.270 4.350 0.001 0.000 0.195 668 E C 2.331 178.804 176.600 -0.211 0.000 0.995 668 E CA 0.378 56.772 56.400 -0.010 0.000 0.836 668 E CB -0.104 29.638 29.700 0.069 0.000 0.763 668 E HN 0.328 nan 8.360 nan 0.000 0.491 669 R N 0.152 120.360 120.500 -0.488 0.000 2.091 669 R HA -0.200 4.141 4.340 0.001 0.000 0.238 669 R C 1.319 177.067 176.300 -0.920 0.000 1.136 669 R CA 1.635 57.247 56.100 -0.814 0.000 0.959 669 R CB -0.033 29.429 30.300 -1.398 0.000 0.856 669 R HN 0.249 nan 8.270 nan 0.000 0.437 670 Y N -1.870 118.080 120.300 -0.584 0.000 2.503 670 Y HA 0.174 4.724 4.550 0.001 0.000 0.277 670 Y C 1.838 177.530 175.900 -0.346 0.000 1.102 670 Y CA 0.205 57.953 58.100 -0.587 0.000 1.261 670 Y CB 0.337 38.311 38.460 -0.810 0.000 1.096 670 Y HN -0.028 nan 8.280 nan 0.000 0.546 671 M N -0.618 118.858 119.600 -0.208 0.000 2.308 671 M HA 0.348 4.829 4.480 0.001 0.000 0.269 671 M C 1.160 177.480 176.300 0.032 0.000 1.040 671 M CA 0.739 55.922 55.300 -0.195 0.000 1.024 671 M CB -0.364 31.916 32.600 -0.533 0.000 1.465 671 M HN 0.331 nan 8.290 nan 0.000 0.517 672 G N 2.025 110.854 108.800 0.048 0.000 2.601 672 G HA2 -0.260 3.700 3.960 0.001 0.000 0.261 672 G HA3 -0.260 3.700 3.960 0.001 0.000 0.261 672 G C -0.370 174.672 174.900 0.237 0.000 1.289 672 G CA -0.590 44.580 45.100 0.117 0.000 0.920 672 G HN 0.375 nan 8.290 nan 0.000 0.571 673 L N 1.825 123.147 121.223 0.165 0.000 2.325 673 L HA 0.439 4.780 4.340 0.001 0.000 0.279 673 L C -1.580 175.267 176.870 -0.039 0.000 1.054 673 L CA -1.826 53.055 54.840 0.068 0.000 0.804 673 L CB 1.990 44.058 42.059 0.015 0.000 1.200 673 L HN 0.420 nan 8.230 nan 0.000 0.436 674 P HA 0.080 nan 4.420 nan 0.000 0.220 674 P C -0.535 176.617 177.300 -0.246 0.000 1.806 674 P CA -0.142 62.557 63.100 -0.667 0.000 0.976 674 P CB -0.401 30.581 31.700 -1.198 0.000 1.952 675 T N -2.658 111.836 114.554 -0.101 0.000 2.908 675 T HA 0.474 4.824 4.350 0.001 0.000 0.290 675 T C -2.221 172.475 174.700 -0.007 0.000 1.034 675 T CA -2.561 59.511 62.100 -0.047 0.000 1.010 675 T CB 1.813 70.664 68.868 -0.029 0.000 1.068 675 T HN -0.282 nan 8.240 nan 0.000 0.481 676 P HA -0.090 nan 4.420 nan 0.000 0.216 676 P C 0.948 178.261 177.300 0.021 0.000 1.150 676 P CA 1.102 64.210 63.100 0.014 0.000 0.843 676 P CB 0.062 31.767 31.700 0.009 0.000 0.787 677 E N -1.448 118.761 120.200 0.014 0.000 2.347 677 E HA -0.098 4.253 4.350 0.001 0.000 0.196 677 E C 1.398 178.013 176.600 0.025 0.000 1.008 677 E CA 0.839 57.249 56.400 0.016 0.000 0.852 677 E CB -0.394 29.311 29.700 0.007 0.000 0.783 677 E HN 0.324 nan 8.360 nan 0.000 0.505 678 D N -0.718 119.702 120.400 0.034 0.000 2.931 678 D HA 0.059 4.699 4.640 0.001 0.000 0.241 678 D C 0.324 176.676 176.300 0.087 0.000 1.494 678 D CA 0.222 54.254 54.000 0.053 0.000 1.260 678 D CB 0.018 40.849 40.800 0.052 0.000 0.953 678 D HN -0.044 nan 8.370 nan 0.000 0.240 679 N N -0.186 118.597 118.700 0.139 0.000 2.305 679 N HA 0.099 4.839 4.740 0.001 0.000 0.248 679 N C 0.949 176.649 175.510 0.317 0.000 1.290 679 N CA -0.095 53.088 53.050 0.222 0.000 0.873 679 N CB 0.212 38.856 38.487 0.262 0.000 1.261 679 N HN 0.093 nan 8.380 nan 0.000 0.504 680 L N 0.571 121.899 121.223 0.175 0.000 2.043 680 L HA -0.132 4.208 4.340 0.001 0.000 0.212 680 L C 1.196 178.171 176.870 0.175 0.000 1.075 680 L CA 2.001 56.919 54.840 0.130 0.000 0.752 680 L CB -0.424 41.649 42.059 0.023 0.000 0.891 680 L HN 0.142 nan 8.230 nan 0.000 0.432 681 D N -1.532 118.953 120.400 0.141 0.000 2.133 681 D HA -0.260 4.380 4.640 0.001 0.000 0.195 681 D C 2.092 178.479 176.300 0.145 0.000 0.997 681 D CA 1.809 55.881 54.000 0.119 0.000 0.840 681 D CB -0.198 40.663 40.800 0.100 0.000 0.947 681 D HN 0.588 nan 8.370 nan 0.000 0.452 682 H N -1.094 118.043 119.070 0.112 0.000 2.470 682 H HA -0.034 4.523 4.556 0.001 0.000 0.289 682 H C 1.668 177.062 175.328 0.110 0.000 1.033 682 H CA 1.081 57.175 56.048 0.077 0.000 1.331 682 H CB -0.202 29.569 29.762 0.015 0.000 1.414 682 H HN 0.152 nan 8.280 nan 0.000 0.545 683 Y N 0.223 120.536 120.300 0.022 0.000 2.165 683 Y HA -0.211 4.340 4.550 0.001 0.000 0.286 683 Y C 2.374 178.244 175.900 -0.050 0.000 1.155 683 Y CA 1.433 59.546 58.100 0.023 0.000 1.164 683 Y CB 0.124 38.621 38.460 0.061 0.000 0.978 683 Y HN 0.137 nan 8.280 nan 0.000 0.513 684 R N 0.201 120.768 120.500 0.112 0.000 2.119 684 R HA -0.054 4.286 4.340 0.001 0.000 0.222 684 R C 1.074 177.358 176.300 -0.027 0.000 1.088 684 R CA 1.324 57.443 56.100 0.032 0.000 0.984 684 R CB -0.847 29.475 30.300 0.036 0.000 0.884 684 R HN 0.551 nan 8.270 nan 0.000 0.447 685 N N -0.370 118.286 118.700 -0.072 0.000 2.235 685 N HA -0.053 4.688 4.740 0.001 0.000 0.209 685 N C 0.208 175.632 175.510 -0.142 0.000 1.122 685 N CA 0.122 53.121 53.050 -0.083 0.000 0.845 685 N CB 0.345 38.812 38.487 -0.033 0.000 1.004 685 N HN -0.053 nan 8.380 nan 0.000 0.499 686 S N -1.621 113.956 115.700 -0.204 0.000 2.588 686 S HA 0.144 4.615 4.470 0.001 0.000 0.245 686 S C 0.318 174.952 174.600 0.058 0.000 1.021 686 S CA -0.517 57.622 58.200 -0.102 0.000 1.006 686 S CB -1.017 62.058 63.200 -0.208 0.000 0.830 686 S HN 0.327 nan 8.310 nan 0.000 0.468 687 T N -1.625 112.919 114.554 -0.017 0.000 2.922 687 T HA 0.535 4.886 4.350 0.001 0.000 0.285 687 T C 1.336 176.021 174.700 -0.026 0.000 1.005 687 T CA -0.631 61.448 62.100 -0.034 0.000 1.061 687 T CB 1.369 70.182 68.868 -0.092 0.000 1.007 687 T HN -0.043 nan 8.240 nan 0.000 0.502 688 V N 1.832 121.728 119.914 -0.031 0.000 2.358 688 V HA -0.148 3.973 4.120 0.001 0.000 0.246 688 V C 2.658 178.715 176.094 -0.061 0.000 1.047 688 V CA 1.770 64.040 62.300 -0.050 0.000 1.035 688 V CB -0.987 30.801 31.823 -0.059 0.000 0.658 688 V HN 0.824 nan 8.190 nan 0.000 0.452 689 M N 1.280 120.830 119.600 -0.082 0.000 2.144 689 M HA -0.180 4.300 4.480 0.001 0.000 0.260 689 M C 2.339 178.604 176.300 -0.057 0.000 1.067 689 M CA 2.248 57.495 55.300 -0.089 0.000 1.095 689 M CB -1.061 31.498 32.600 -0.068 0.000 1.365 689 M HN 0.547 nan 8.290 nan 0.000 0.406 690 S N -0.360 115.317 115.700 -0.038 0.000 2.474 690 S HA -0.080 4.391 4.470 0.001 0.000 0.235 690 S C 1.799 176.398 174.600 -0.002 0.000 0.997 690 S CA 0.720 58.908 58.200 -0.020 0.000 0.949 690 S CB -0.450 62.738 63.200 -0.021 0.000 0.766 690 S HN 0.542 nan 8.310 nan 0.000 0.517 691 R N 0.463 120.974 120.500 0.018 0.000 2.359 691 R HA 0.435 4.775 4.340 0.001 0.000 0.231 691 R C 2.246 178.644 176.300 0.163 0.000 0.913 691 R CA 0.428 56.569 56.100 0.067 0.000 1.075 691 R CB -0.274 30.066 30.300 0.067 0.000 1.087 691 R HN 0.488 nan 8.270 nan 0.000 0.515 692 A N 1.686 124.547 122.820 0.069 0.000 1.903 692 A HA -0.301 4.020 4.320 0.001 0.000 0.219 692 A C 2.022 179.682 177.584 0.127 0.000 1.191 692 A CA 1.969 54.011 52.037 0.008 0.000 0.638 692 A CB -0.330 18.613 19.000 -0.095 0.000 0.823 692 A HN 0.280 nan 8.150 nan 0.000 0.451 693 E N 0.307 120.558 120.200 0.084 0.000 2.130 693 E HA -0.200 4.150 4.350 0.001 0.000 0.196 693 E C 1.626 178.285 176.600 0.098 0.000 0.998 693 E CA 1.831 58.277 56.400 0.077 0.000 0.806 693 E CB -0.474 29.252 29.700 0.044 0.000 0.738 693 E HN 0.798 nan 8.360 nan 0.000 0.459 694 N N -1.255 117.502 118.700 0.096 0.000 2.512 694 N HA -0.068 4.673 4.740 0.001 0.000 0.183 694 N C 0.713 176.207 175.510 -0.027 0.000 1.073 694 N CA 0.221 53.279 53.050 0.014 0.000 0.911 694 N CB -0.084 38.366 38.487 -0.062 0.000 0.964 694 N HN 0.162 nan 8.380 nan 0.000 0.447 695 F N 1.158 121.062 119.950 -0.076 0.000 2.699 695 F HA 0.041 4.569 4.527 0.001 0.000 0.298 695 F C 2.176 177.979 175.800 0.005 0.000 1.154 695 F CA 0.463 58.416 58.000 -0.079 0.000 1.457 695 F CB 0.104 39.010 39.000 -0.156 0.000 1.106 695 F HN -0.052 nan 8.300 nan 0.000 0.585 696 K N 0.480 120.976 120.400 0.160 0.000 2.211 696 K HA -0.187 4.134 4.320 0.001 0.000 0.204 696 K C 1.235 177.898 176.600 0.105 0.000 1.047 696 K CA 1.301 57.664 56.287 0.127 0.000 0.935 696 K CB -0.037 32.517 32.500 0.089 0.000 0.728 696 K HN 0.364 nan 8.250 nan 0.000 0.452 697 Q N 0.513 120.357 119.800 0.073 0.000 2.188 697 Q HA 0.077 4.418 4.340 0.001 0.000 0.212 697 Q C -0.414 175.633 176.000 0.077 0.000 0.846 697 Q CA -0.262 55.580 55.803 0.064 0.000 0.989 697 Q CB 1.188 29.948 28.738 0.038 0.000 1.114 697 Q HN 0.117 nan 8.270 nan 0.000 0.488 698 V N -3.084 116.893 119.914 0.104 0.000 3.001 698 V HA 0.513 4.633 4.120 0.001 0.000 0.314 698 V C -0.926 175.313 176.094 0.242 0.000 1.099 698 V CA -1.173 61.212 62.300 0.141 0.000 0.989 698 V CB 2.284 34.146 31.823 0.065 0.000 1.040 698 V HN 0.030 nan 8.190 nan 0.000 0.434 699 E N 2.186 122.560 120.200 0.290 0.000 2.146 699 E HA 0.437 4.788 4.350 0.001 0.000 0.282 699 E C -1.795 175.190 176.600 0.642 0.000 0.989 699 E CA -0.360 56.292 56.400 0.420 0.000 0.799 699 E CB 1.713 31.596 29.700 0.306 0.000 1.088 699 E HN 0.704 nan 8.360 nan 0.000 0.397 700 Y N 3.271 123.837 120.300 0.443 0.000 2.376 700 Y HA 0.433 4.984 4.550 0.001 0.000 0.340 700 Y C -1.645 174.324 175.900 0.115 0.000 0.965 700 Y CA -1.570 56.720 58.100 0.316 0.000 1.078 700 Y CB 1.137 39.821 38.460 0.374 0.000 1.193 700 Y HN 0.422 nan 8.280 nan 0.000 0.452 701 L N 7.715 128.630 121.223 -0.513 0.000 2.325 701 L HA 0.612 4.952 4.340 0.001 0.000 0.281 701 L C -2.162 174.266 176.870 -0.737 0.000 1.004 701 L CA -0.802 53.607 54.840 -0.719 0.000 0.823 701 L CB 1.272 42.579 42.059 -1.254 0.000 1.236 701 L HN 0.634 nan 8.230 nan 0.000 0.415 702 L N 6.748 127.635 121.223 -0.560 0.000 2.313 702 L HA 0.715 5.056 4.340 0.001 0.000 0.283 702 L C -1.144 175.606 176.870 -0.199 0.000 1.013 702 L CA -0.057 54.495 54.840 -0.480 0.000 0.816 702 L CB 1.202 43.001 42.059 -0.433 0.000 1.236 702 L HN 0.590 nan 8.230 nan 0.000 0.419 703 I N 4.343 124.807 120.570 -0.176 0.000 2.647 703 I HA 0.485 4.656 4.170 0.001 0.000 0.295 703 I C -1.237 174.864 176.117 -0.027 0.000 1.078 703 I CA -0.758 60.491 61.300 -0.085 0.000 1.048 703 I CB 2.182 40.095 38.000 -0.145 0.000 1.239 703 I HN 0.681 nan 8.210 nan 0.000 0.421 704 H N 1.965 121.086 119.070 0.085 0.000 3.123 704 H HA 0.435 4.992 4.556 0.001 0.000 0.346 704 H C -0.408 175.159 175.328 0.399 0.000 1.138 704 H CA -0.571 55.579 56.048 0.171 0.000 1.273 704 H CB 1.897 31.695 29.762 0.061 0.000 1.926 704 H HN 0.782 nan 8.280 nan 0.000 0.524 705 G N 1.042 110.189 108.800 0.579 0.000 2.403 705 G HA2 0.214 4.175 3.960 0.001 0.000 0.259 705 G HA3 0.214 4.175 3.960 0.001 0.000 0.259 705 G C 1.170 176.369 174.900 0.499 0.000 1.244 705 G CA 0.163 45.569 45.100 0.511 0.000 0.849 705 G HN 0.741 nan 8.290 nan 0.000 0.532 706 T N -0.784 113.918 114.554 0.247 0.000 2.995 706 T HA 0.101 4.451 4.350 0.001 0.000 0.269 706 T C 1.704 176.398 174.700 -0.010 0.000 1.091 706 T CA 1.249 63.311 62.100 -0.064 0.000 1.128 706 T CB 0.162 68.910 68.868 -0.200 0.000 0.891 706 T HN 0.684 nan 8.240 nan 0.000 0.492 707 A N 1.066 123.952 122.820 0.110 0.000 2.577 707 A HA 0.309 4.630 4.320 0.001 0.000 0.280 707 A C 0.423 177.989 177.584 -0.030 0.000 1.331 707 A CA -0.498 51.579 52.037 0.066 0.000 0.935 707 A CB -0.346 18.956 19.000 0.503 0.000 1.082 707 A HN 0.369 nan 8.150 nan 0.000 0.525 708 D N 1.645 122.056 120.400 0.019 0.000 2.342 708 D HA -0.022 4.618 4.640 0.001 0.000 0.260 708 D C 0.508 176.778 176.300 -0.050 0.000 1.278 708 D CA 0.166 54.267 54.000 0.168 0.000 0.910 708 D CB 0.589 41.656 40.800 0.444 0.000 1.079 708 D HN 0.586 nan 8.370 nan 0.000 0.496 709 D N 2.275 122.699 120.400 0.039 0.000 2.347 709 D HA -0.146 4.494 4.640 0.001 0.000 0.213 709 D C 0.913 177.216 176.300 0.005 0.000 0.985 709 D CA -0.001 53.987 54.000 -0.020 0.000 0.879 709 D CB 0.467 41.234 40.800 -0.056 0.000 0.919 709 D HN 0.224 nan 8.370 nan 0.000 0.526 710 N N 0.789 119.566 118.700 0.128 0.000 2.426 710 N HA -0.047 4.693 4.740 0.001 0.000 0.205 710 N C -0.066 175.394 175.510 -0.083 0.000 1.040 710 N CA 0.449 53.609 53.050 0.184 0.000 0.990 710 N CB 0.419 39.023 38.487 0.194 0.000 1.215 710 N HN -0.109 nan 8.380 nan 0.000 0.491 711 V N 4.014 123.876 119.914 -0.087 0.000 2.320 711 V HA 0.201 4.322 4.120 0.001 0.000 0.265 711 V C -0.505 175.648 176.094 0.098 0.000 1.048 711 V CA -0.660 61.639 62.300 -0.002 0.000 0.865 711 V CB -0.027 31.846 31.823 0.083 0.000 1.043 711 V HN 0.309 nan 8.190 nan 0.000 0.474 712 H N 3.501 122.561 119.070 -0.017 0.000 2.871 712 H HA 0.028 4.585 4.556 0.001 0.000 0.355 712 H C 0.861 176.045 175.328 -0.239 0.000 1.092 712 H CA -0.315 55.637 56.048 -0.161 0.000 1.420 712 H CB 0.572 30.159 29.762 -0.291 0.000 1.400 712 H HN 0.617 nan 8.280 nan 0.000 0.604 713 F N 2.057 121.801 119.950 -0.344 0.000 2.115 713 F HA -0.324 4.204 4.527 0.001 0.000 0.300 713 F C 2.625 178.151 175.800 -0.457 0.000 1.092 713 F CA 2.101 59.697 58.000 -0.674 0.000 1.245 713 F CB -0.100 38.689 39.000 -0.351 0.000 0.995 713 F HN 0.677 nan 8.300 nan 0.000 0.481 714 Q N 0.070 119.758 119.800 -0.187 0.000 2.188 714 Q HA -0.384 3.957 4.340 0.001 0.000 0.217 714 Q C 2.114 177.901 176.000 -0.355 0.000 1.018 714 Q CA 2.737 58.370 55.803 -0.283 0.000 0.910 714 Q CB -0.428 28.108 28.738 -0.336 0.000 0.979 714 Q HN 0.626 nan 8.270 nan 0.000 0.413 715 Q N -0.623 119.012 119.800 -0.276 0.000 2.050 715 Q HA -0.114 4.227 4.340 0.001 0.000 0.202 715 Q C 2.299 178.215 176.000 -0.141 0.000 0.980 715 Q CA 1.701 57.464 55.803 -0.067 0.000 0.840 715 Q CB -0.122 28.646 28.738 0.051 0.000 0.898 715 Q HN 0.337 nan 8.270 nan 0.000 0.424 716 S N 0.863 116.371 115.700 -0.319 0.000 2.387 716 S HA -0.049 4.421 4.470 0.001 0.000 0.226 716 S C 2.079 176.433 174.600 -0.410 0.000 1.026 716 S CA 0.789 58.786 58.200 -0.338 0.000 0.972 716 S CB -0.162 62.820 63.200 -0.364 0.000 0.814 716 S HN 0.474 nan 8.310 nan 0.000 0.477 717 A N 1.500 123.986 122.820 -0.557 0.000 1.940 717 A HA -0.162 4.159 4.320 0.001 0.000 0.219 717 A C 2.135 179.627 177.584 -0.154 0.000 1.176 717 A CA 1.243 53.100 52.037 -0.301 0.000 0.631 717 A CB -0.455 18.433 19.000 -0.186 0.000 0.814 717 A HN 0.389 nan 8.150 nan 0.000 0.446 718 Q N -0.472 119.247 119.800 -0.134 0.000 2.172 718 Q HA -0.022 4.319 4.340 0.001 0.000 0.200 718 Q C 2.156 178.105 176.000 -0.084 0.000 0.964 718 Q CA 1.039 56.812 55.803 -0.049 0.000 0.855 718 Q CB -0.341 28.447 28.738 0.084 0.000 0.918 718 Q HN 0.789 nan 8.270 nan 0.000 0.444 719 I N 1.224 121.714 120.570 -0.133 0.000 2.142 719 I HA -0.298 3.872 4.170 0.001 0.000 0.240 719 I C 2.611 178.552 176.117 -0.294 0.000 1.078 719 I CA 1.583 62.754 61.300 -0.216 0.000 1.343 719 I CB -0.569 37.305 38.000 -0.210 0.000 1.046 719 I HN 0.195 nan 8.210 nan 0.000 0.405 720 S N 0.975 116.526 115.700 -0.249 0.000 2.370 720 S HA -0.289 4.182 4.470 0.001 0.000 0.226 720 S C 2.042 176.612 174.600 -0.050 0.000 1.033 720 S CA 1.581 59.668 58.200 -0.189 0.000 1.011 720 S CB -0.489 62.779 63.200 0.113 0.000 0.852 720 S HN 0.388 nan 8.310 nan 0.000 0.457 721 K N 1.708 122.083 120.400 -0.041 0.000 2.057 721 K HA 0.008 4.328 4.320 0.001 0.000 0.207 721 K C 2.307 178.887 176.600 -0.033 0.000 1.049 721 K CA 1.177 57.457 56.287 -0.011 0.000 0.931 721 K CB -0.706 31.786 32.500 -0.013 0.000 0.714 721 K HN 0.453 nan 8.250 nan 0.000 0.440 722 A N 1.081 123.850 122.820 -0.084 0.000 1.902 722 A HA -0.121 4.200 4.320 0.001 0.000 0.217 722 A C 2.096 179.614 177.584 -0.110 0.000 1.181 722 A CA 1.376 53.356 52.037 -0.095 0.000 0.623 722 A CB -0.596 18.328 19.000 -0.127 0.000 0.818 722 A HN 0.325 nan 8.150 nan 0.000 0.443 723 L N -0.664 120.446 121.223 -0.188 0.000 2.056 723 L HA -0.142 4.199 4.340 0.001 0.000 0.207 723 L C 2.522 179.415 176.870 0.039 0.000 1.078 723 L CA 0.939 55.686 54.840 -0.154 0.000 0.749 723 L CB -0.633 41.187 42.059 -0.399 0.000 0.901 723 L HN 0.231 nan 8.230 nan 0.000 0.433 724 V N -0.010 119.964 119.914 0.100 0.000 2.287 724 V HA -0.329 3.792 4.120 0.001 0.000 0.248 724 V C 2.071 178.202 176.094 0.061 0.000 1.053 724 V CA 2.071 64.443 62.300 0.119 0.000 1.027 724 V CB -0.562 31.331 31.823 0.117 0.000 0.646 724 V HN 0.442 nan 8.190 nan 0.000 0.447 725 D N 0.150 120.568 120.400 0.030 0.000 2.218 725 D HA -0.108 4.533 4.640 0.001 0.000 0.204 725 D C 1.782 178.094 176.300 0.020 0.000 0.976 725 D CA 1.658 55.669 54.000 0.019 0.000 0.853 725 D CB -0.138 40.665 40.800 0.005 0.000 0.939 725 D HN 0.569 nan 8.370 nan 0.000 0.481 726 V N -3.723 116.203 119.914 0.021 0.000 3.542 726 V HA 0.486 4.607 4.120 0.001 0.000 0.296 726 V C 1.213 177.335 176.094 0.047 0.000 1.364 726 V CA 0.308 62.625 62.300 0.028 0.000 1.118 726 V CB -0.127 31.710 31.823 0.023 0.000 0.972 726 V HN 0.144 nan 8.190 nan 0.000 0.430 727 G N 0.539 109.374 108.800 0.059 0.000 2.272 727 G HA2 -0.180 3.781 3.960 0.001 0.000 0.280 727 G HA3 -0.180 3.781 3.960 0.001 0.000 0.280 727 G C -0.120 174.839 174.900 0.098 0.000 1.067 727 G CA 0.241 45.385 45.100 0.073 0.000 0.902 727 G HN 0.861 nan 8.290 nan 0.000 0.500 728 V N 0.407 120.398 119.914 0.129 0.000 2.394 728 V HA 0.457 4.577 4.120 0.001 0.000 0.282 728 V C 0.446 176.707 176.094 0.278 0.000 1.031 728 V CA -0.544 61.862 62.300 0.177 0.000 0.881 728 V CB 1.757 33.676 31.823 0.159 0.000 0.982 728 V HN 0.455 nan 8.190 nan 0.000 0.451 729 D N 3.942 124.485 120.400 0.238 0.000 2.304 729 D HA 0.581 5.222 4.640 0.001 0.000 0.247 729 D C -0.545 175.978 176.300 0.371 0.000 1.089 729 D CA 0.211 54.341 54.000 0.217 0.000 0.910 729 D CB 0.746 41.614 40.800 0.114 0.000 1.199 729 D HN 0.380 nan 8.370 nan 0.000 0.426 730 F N -0.304 119.720 119.950 0.124 0.000 2.779 730 F HA 0.479 5.006 4.527 0.001 0.000 0.316 730 F C -1.537 174.317 175.800 0.090 0.000 1.164 730 F CA -1.171 56.924 58.000 0.158 0.000 0.924 730 F CB 0.828 39.952 39.000 0.206 0.000 1.348 730 F HN 0.052 nan 8.300 nan 0.000 0.467 731 Q N 1.464 121.332 119.800 0.114 0.000 2.266 731 Q HA 0.810 5.151 4.340 0.001 0.000 0.261 731 Q C -0.876 175.119 176.000 -0.009 0.000 0.985 731 Q CA -0.789 54.996 55.803 -0.030 0.000 0.873 731 Q CB 1.982 30.742 28.738 0.036 0.000 1.306 731 Q HN 1.024 nan 8.270 nan 0.000 0.447 732 A N 1.760 124.545 122.820 -0.058 0.000 2.498 732 A HA 0.852 5.173 4.320 0.001 0.000 0.298 732 A C -1.289 176.247 177.584 -0.081 0.000 1.075 732 A CA -0.583 51.457 52.037 0.006 0.000 0.714 732 A CB 1.877 20.936 19.000 0.099 0.000 1.299 732 A HN 0.612 nan 8.150 nan 0.000 0.407 733 M N 1.669 121.204 119.600 -0.108 0.000 2.284 733 M HA 0.582 5.063 4.480 0.001 0.000 0.281 733 M C -1.811 174.367 176.300 -0.202 0.000 1.083 733 M CA -0.624 54.467 55.300 -0.348 0.000 0.965 733 M CB 1.169 33.461 32.600 -0.514 0.000 1.717 733 M HN 0.904 nan 8.290 nan 0.000 0.479 734 W N 4.257 125.409 121.300 -0.247 0.000 2.448 734 W HA 0.767 5.428 4.660 0.001 0.000 0.339 734 W C -1.961 174.285 176.519 -0.454 0.000 1.124 734 W CA -0.801 56.474 57.345 -0.118 0.000 1.262 734 W CB 0.364 29.811 29.460 -0.022 0.000 1.251 734 W HN 0.618 nan 8.180 nan 0.000 0.597 735 Y N 2.209 122.625 120.300 0.193 0.000 2.376 735 Y HA 0.289 4.840 4.550 0.001 0.000 0.326 735 Y C 0.441 176.454 175.900 0.188 0.000 0.970 735 Y CA -1.053 57.084 58.100 0.062 0.000 1.248 735 Y CB 1.615 40.097 38.460 0.036 0.000 1.117 735 Y HN 0.402 nan 8.280 nan 0.000 0.476 736 T N 4.589 119.310 114.554 0.278 0.000 2.831 736 T HA -0.019 4.331 4.350 0.001 0.000 0.291 736 T C 0.136 174.913 174.700 0.128 0.000 0.981 736 T CA 0.600 62.819 62.100 0.198 0.000 1.174 736 T CB -0.127 68.799 68.868 0.097 0.000 0.929 736 T HN 0.723 nan 8.240 nan 0.000 0.532 737 D N 0.886 121.336 120.400 0.083 0.000 3.079 737 D HA -0.120 4.520 4.640 0.001 0.000 0.214 737 D C 0.254 176.681 176.300 0.211 0.000 1.145 737 D CA 1.081 55.062 54.000 -0.033 0.000 0.958 737 D CB -0.398 40.160 40.800 -0.403 0.000 1.117 737 D HN 0.549 nan 8.370 nan 0.000 0.416 738 E N 0.882 121.232 120.200 0.250 0.000 2.313 738 E HA 0.338 4.689 4.350 0.001 0.000 0.272 738 E C 0.780 177.576 176.600 0.326 0.000 1.038 738 E CA -0.276 56.295 56.400 0.284 0.000 0.863 738 E CB 1.236 31.095 29.700 0.265 0.000 1.060 738 E HN 0.340 nan 8.360 nan 0.000 0.402 739 D N -0.354 120.252 120.400 0.343 0.000 2.541 739 D HA -0.000 4.641 4.640 0.001 0.000 0.276 739 D C 1.072 177.624 176.300 0.419 0.000 1.190 739 D CA -0.140 54.088 54.000 0.380 0.000 1.095 739 D CB -0.210 40.839 40.800 0.414 0.000 1.173 739 D HN 0.389 nan 8.370 nan 0.000 0.604 740 H N -1.562 117.707 119.070 0.333 0.000 2.456 740 H HA 0.117 4.673 4.556 0.001 0.000 0.296 740 H C 1.916 177.515 175.328 0.452 0.000 1.079 740 H CA 2.049 58.317 56.048 0.367 0.000 1.322 740 H CB -0.390 29.571 29.762 0.332 0.000 1.388 740 H HN 0.493 nan 8.280 nan 0.000 0.538 741 G N -0.210 108.796 108.800 0.344 0.000 2.551 741 G HA2 -0.020 3.940 3.960 0.001 0.000 0.216 741 G HA3 -0.020 3.940 3.960 0.001 0.000 0.216 741 G C 0.631 175.730 174.900 0.332 0.000 1.137 741 G CA 0.305 45.526 45.100 0.202 0.000 0.798 741 G HN 0.510 nan 8.290 nan 0.000 0.536 742 I N 0.106 120.901 120.570 0.375 0.000 5.071 742 I HA -0.322 3.849 4.170 0.001 0.000 0.126 742 I C 1.417 177.679 176.117 0.242 0.000 1.290 742 I CA 0.166 61.639 61.300 0.287 0.000 2.644 742 I CB -1.123 37.018 38.000 0.235 0.000 2.208 742 I HN 0.261 nan 8.210 nan 0.000 0.322 743 A N 1.491 124.420 122.820 0.182 0.000 2.469 743 A HA 0.291 4.612 4.320 0.001 0.000 0.245 743 A C 1.125 178.760 177.584 0.085 0.000 1.221 743 A CA 0.550 52.655 52.037 0.113 0.000 0.946 743 A CB 0.260 19.297 19.000 0.062 0.000 1.049 743 A HN 0.649 nan 8.150 nan 0.000 0.529 744 S N -0.046 115.721 115.700 0.112 0.000 2.566 744 S HA 0.115 4.586 4.470 0.001 0.000 0.280 744 S C 1.239 175.897 174.600 0.096 0.000 1.343 744 S CA 0.442 58.700 58.200 0.097 0.000 1.036 744 S CB 0.988 64.253 63.200 0.108 0.000 0.866 744 S HN 0.578 nan 8.310 nan 0.000 0.526 745 S N 2.148 117.891 115.700 0.072 0.000 2.365 745 S HA -0.186 4.285 4.470 0.001 0.000 0.225 745 S C 2.087 176.750 174.600 0.105 0.000 1.039 745 S CA 2.257 60.502 58.200 0.076 0.000 1.033 745 S CB -1.599 61.627 63.200 0.043 0.000 0.887 745 S HN 1.058 nan 8.310 nan 0.000 0.447 746 T N -0.180 114.424 114.554 0.084 0.000 2.777 746 T HA 0.179 4.530 4.350 0.001 0.000 0.266 746 T C 2.012 176.768 174.700 0.094 0.000 1.040 746 T CA 1.289 63.440 62.100 0.084 0.000 1.141 746 T CB -0.980 67.929 68.868 0.067 0.000 0.868 746 T HN 0.467 nan 8.240 nan 0.000 0.444 747 A N 1.439 124.295 122.820 0.061 0.000 1.930 747 A HA -0.080 4.241 4.320 0.001 0.000 0.217 747 A C 2.196 179.728 177.584 -0.086 0.000 1.175 747 A CA 1.996 53.997 52.037 -0.061 0.000 0.627 747 A CB -1.218 17.714 19.000 -0.113 0.000 0.815 747 A HN 0.772 nan 8.150 nan 0.000 0.443 748 H N -0.140 118.917 119.070 -0.022 0.000 2.319 748 H HA -0.142 4.415 4.556 0.001 0.000 0.299 748 H C 2.105 177.509 175.328 0.126 0.000 1.092 748 H CA 2.347 58.443 56.048 0.080 0.000 1.302 748 H CB -0.219 29.593 29.762 0.084 0.000 1.373 748 H HN 0.573 nan 8.280 nan 0.000 0.497 749 Q N -0.925 118.866 119.800 -0.015 0.000 2.084 749 Q HA -0.196 4.144 4.340 0.001 0.000 0.202 749 Q C 2.241 178.224 176.000 -0.028 0.000 0.978 749 Q CA 1.372 57.134 55.803 -0.069 0.000 0.844 749 Q CB -0.220 28.518 28.738 0.000 0.000 0.898 749 Q HN 0.645 nan 8.270 nan 0.000 0.426 750 H N 0.732 119.774 119.070 -0.047 0.000 2.321 750 H HA -0.094 4.462 4.556 0.001 0.000 0.300 750 H C 2.077 177.405 175.328 -0.000 0.000 1.087 750 H CA 1.427 57.483 56.048 0.013 0.000 1.319 750 H CB -0.060 29.764 29.762 0.104 0.000 1.379 750 H HN 0.273 nan 8.280 nan 0.000 0.501 751 I N 0.162 120.702 120.570 -0.051 0.000 2.226 751 I HA -0.334 3.837 4.170 0.001 0.000 0.245 751 I C 1.809 177.698 176.117 -0.379 0.000 1.100 751 I CA 1.337 62.517 61.300 -0.200 0.000 1.374 751 I CB -0.256 37.451 38.000 -0.489 0.000 1.057 751 I HN 0.159 nan 8.210 nan 0.000 0.413 752 Y N 0.804 120.896 120.300 -0.346 0.000 2.314 752 Y HA -0.186 4.364 4.550 0.001 0.000 0.293 752 Y C 2.694 178.391 175.900 -0.338 0.000 1.129 752 Y CA 1.712 59.496 58.100 -0.527 0.000 1.201 752 Y CB -0.819 37.331 38.460 -0.516 0.000 0.999 752 Y HN 0.151 nan 8.280 nan 0.000 0.541 753 T N -1.573 112.906 114.554 -0.125 0.000 2.708 753 T HA -0.242 4.109 4.350 0.001 0.000 0.266 753 T C 1.566 176.151 174.700 -0.192 0.000 1.037 753 T CA 1.962 63.952 62.100 -0.183 0.000 1.146 753 T CB -0.445 68.321 68.868 -0.169 0.000 0.865 753 T HN 0.415 nan 8.240 nan 0.000 0.435 754 H N 0.689 119.649 119.070 -0.183 0.000 2.357 754 H HA 0.145 4.701 4.556 0.001 0.000 0.301 754 H C 2.199 177.527 175.328 0.001 0.000 1.082 754 H CA 1.455 57.477 56.048 -0.044 0.000 1.342 754 H CB -0.229 29.493 29.762 -0.068 0.000 1.389 754 H HN 0.239 nan 8.280 nan 0.000 0.511 755 M N -0.746 118.805 119.600 -0.081 0.000 2.159 755 M HA -0.163 4.318 4.480 0.001 0.000 0.263 755 M C 2.351 178.772 176.300 0.201 0.000 1.063 755 M CA 1.552 56.801 55.300 -0.085 0.000 1.110 755 M CB -0.004 32.280 32.600 -0.527 0.000 1.374 755 M HN 0.223 nan 8.290 nan 0.000 0.411 756 S N -0.649 115.189 115.700 0.231 0.000 2.368 756 S HA -0.145 4.325 4.470 0.001 0.000 0.225 756 S C 1.667 176.356 174.600 0.148 0.000 1.030 756 S CA 0.966 59.386 58.200 0.366 0.000 0.999 756 S CB -0.606 62.810 63.200 0.360 0.000 0.844 756 S HN 0.469 nan 8.310 nan 0.000 0.459 757 H N -0.043 119.088 119.070 0.103 0.000 2.353 757 H HA -0.028 4.529 4.556 0.001 0.000 0.300 757 H C 1.979 177.305 175.328 -0.003 0.000 1.090 757 H CA 1.282 57.342 56.048 0.020 0.000 1.327 757 H CB -0.704 29.021 29.762 -0.062 0.000 1.383 757 H HN 0.449 nan 8.280 nan 0.000 0.508 758 F N 1.337 121.278 119.950 -0.015 0.000 2.102 758 F HA -0.186 4.341 4.527 0.001 0.000 0.298 758 F C 2.317 178.069 175.800 -0.081 0.000 1.105 758 F CA 0.928 58.887 58.000 -0.068 0.000 1.239 758 F CB -0.289 38.652 39.000 -0.100 0.000 0.991 758 F HN -0.052 nan 8.300 nan 0.000 0.474 759 I N 0.685 121.259 120.570 0.006 0.000 2.179 759 I HA -0.282 3.888 4.170 0.001 0.000 0.242 759 I C 2.265 178.155 176.117 -0.378 0.000 1.088 759 I CA 1.537 62.666 61.300 -0.284 0.000 1.357 759 I CB -1.353 36.558 38.000 -0.149 0.000 1.051 759 I HN 0.216 nan 8.210 nan 0.000 0.409 760 K N 0.267 120.602 120.400 -0.108 0.000 2.032 760 K HA -0.239 4.082 4.320 0.001 0.000 0.209 760 K C 2.129 178.708 176.600 -0.036 0.000 1.048 760 K CA 1.318 57.600 56.287 -0.009 0.000 0.927 760 K CB -0.313 32.236 32.500 0.081 0.000 0.712 760 K HN 0.315 nan 8.250 nan 0.000 0.441 761 Q N 1.500 121.244 119.800 -0.093 0.000 2.061 761 Q HA -0.241 4.099 4.340 0.001 0.000 0.204 761 Q C 2.280 178.179 176.000 -0.169 0.000 0.984 761 Q CA 2.058 57.788 55.803 -0.122 0.000 0.846 761 Q CB -0.870 27.770 28.738 -0.163 0.000 0.902 761 Q HN 0.432 nan 8.270 nan 0.000 0.421 762 c N 0.233 118.625 118.600 -0.347 0.000 2.413 762 c HA -0.119 4.452 4.570 0.001 0.000 0.276 762 c C 2.238 176.342 174.090 0.023 0.000 1.248 762 c CA 0.664 56.808 56.329 -0.308 0.000 1.742 762 c CB -1.408 40.759 42.510 -0.572 0.000 2.017 762 c HN 0.552 nan 8.230 nan 0.000 0.481 763 F N 1.645 121.559 119.950 -0.059 0.000 2.732 763 F HA 0.245 4.772 4.527 0.001 0.000 0.303 763 F C 1.645 177.431 175.800 -0.023 0.000 1.110 763 F CA 0.401 58.386 58.000 -0.025 0.000 1.355 763 F CB -1.246 37.748 39.000 -0.009 0.000 1.081 763 F HN 0.242 nan 8.300 nan 0.000 0.565 764 S N 0.721 116.503 115.700 0.137 0.000 3.641 764 S HA -0.206 4.265 4.470 0.001 0.000 0.346 764 S C 0.040 174.683 174.600 0.071 0.000 1.074 764 S CA 0.106 58.349 58.200 0.071 0.000 1.026 764 S CB -2.159 61.072 63.200 0.052 0.000 0.908 764 S HN 0.247 nan 8.310 nan 0.000 0.479 765 L N 2.078 123.356 121.223 0.092 0.000 2.275 765 L HA 0.445 4.785 4.340 0.001 0.000 0.288 765 L C -1.021 175.891 176.870 0.070 0.000 1.046 765 L CA -1.934 52.958 54.840 0.086 0.000 0.805 765 L CB 0.517 42.647 42.059 0.118 0.000 1.193 765 L HN 0.070 nan 8.230 nan 0.000 0.426 766 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 31.727 31.700 0.046 0.000 0.726