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 1n1m_1_A DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.659 174.600 0.098 0.000 1.055 39 S CA 0.000 58.253 58.200 0.088 0.000 1.107 39 S CB 0.000 63.264 63.200 0.106 0.000 0.593 40 R N 0.724 121.271 120.500 0.079 0.000 3.699 40 R HA -0.176 4.164 4.340 0.000 0.000 0.539 40 R C -0.187 176.164 176.300 0.086 0.000 0.241 40 R CA 1.456 57.604 56.100 0.080 0.000 1.674 40 R CB -0.847 29.502 30.300 0.081 0.000 0.975 40 R HN 0.916 nan 8.270 nan 0.000 0.578 41 K N 0.632 121.089 120.400 0.094 0.000 2.312 41 K HA 0.539 4.860 4.320 0.000 0.000 0.236 41 K C -0.320 176.347 176.600 0.111 0.000 1.079 41 K CA -0.057 56.291 56.287 0.101 0.000 0.900 41 K CB 1.839 34.403 32.500 0.106 0.000 1.297 41 K HN 0.805 nan 8.250 nan 0.000 0.498 42 T N -2.862 111.766 114.554 0.124 0.000 2.919 42 T HA 0.314 4.664 4.350 0.000 0.000 0.282 42 T C -0.663 174.165 174.700 0.214 0.000 1.020 42 T CA -0.637 61.550 62.100 0.145 0.000 0.994 42 T CB 0.456 69.402 68.868 0.129 0.000 1.180 42 T HN 0.443 nan 8.240 nan 0.000 0.566 43 Y N 2.605 122.975 120.300 0.117 0.000 2.539 43 Y HA 0.391 4.941 4.550 0.000 0.000 0.352 43 Y C 0.929 176.989 175.900 0.267 0.000 1.004 43 Y CA -0.412 57.798 58.100 0.183 0.000 1.278 43 Y CB -0.287 38.242 38.460 0.114 0.000 1.136 43 Y HN 1.000 nan 8.280 nan 0.000 0.528 44 T N 2.395 116.918 114.554 -0.052 0.000 2.847 44 T HA 0.130 4.480 4.350 0.000 0.000 0.279 44 T C 0.998 175.561 174.700 -0.227 0.000 0.984 44 T CA -0.730 61.379 62.100 0.015 0.000 0.988 44 T CB 1.176 70.036 68.868 -0.014 0.000 1.040 44 T HN 0.655 nan 8.240 nan 0.000 0.528 45 L N 1.078 122.016 121.223 -0.475 0.000 2.046 45 L HA 0.025 4.365 4.340 0.000 0.000 0.208 45 L C 2.639 179.354 176.870 -0.259 0.000 1.077 45 L CA 2.167 56.630 54.840 -0.629 0.000 0.747 45 L CB -1.627 39.913 42.059 -0.865 0.000 0.896 45 L HN 0.973 nan 8.230 nan 0.000 0.432 46 T N -0.325 114.103 114.554 -0.210 0.000 2.684 46 T HA -0.196 4.154 4.350 0.000 0.000 0.267 46 T C 1.522 176.126 174.700 -0.159 0.000 1.036 46 T CA 1.582 63.593 62.100 -0.149 0.000 1.148 46 T CB -0.430 68.374 68.868 -0.105 0.000 0.863 46 T HN 0.407 nan 8.240 nan 0.000 0.436 47 D N 0.073 120.348 120.400 -0.207 0.000 2.133 47 D HA -0.134 4.507 4.640 0.000 0.000 0.192 47 D C 1.773 177.989 176.300 -0.140 0.000 1.001 47 D CA 1.326 55.184 54.000 -0.238 0.000 0.844 47 D CB -0.439 40.131 40.800 -0.383 0.000 0.944 47 D HN 0.459 nan 8.370 nan 0.000 0.447 48 Y N 1.308 121.427 120.300 -0.302 0.000 2.163 48 Y HA -0.086 4.464 4.550 0.000 0.000 0.288 48 Y C 2.217 178.126 175.900 0.014 0.000 1.136 48 Y CA 1.165 59.262 58.100 -0.005 0.000 1.147 48 Y CB -0.525 37.984 38.460 0.082 0.000 0.987 48 Y HN -0.080 nan 8.280 nan 0.000 0.509 49 L N -0.150 120.872 121.223 -0.335 0.000 2.109 49 L HA -0.127 4.213 4.340 0.000 0.000 0.207 49 L C 2.067 178.820 176.870 -0.196 0.000 1.086 49 L CA 1.147 55.767 54.840 -0.367 0.000 0.760 49 L CB -0.467 41.456 42.059 -0.227 0.000 0.910 49 L HN -0.013 nan 8.230 nan 0.000 0.437 50 K N 0.248 120.563 120.400 -0.141 0.000 2.444 50 K HA 0.013 4.333 4.320 0.000 0.000 0.193 50 K C 0.114 176.664 176.600 -0.084 0.000 1.024 50 K CA 0.009 56.237 56.287 -0.098 0.000 1.077 50 K CB -0.544 31.900 32.500 -0.093 0.000 0.833 50 K HN 0.310 nan 8.250 nan 0.000 0.517 51 N N 1.469 120.126 118.700 -0.071 0.000 2.705 51 N HA -0.219 4.521 4.740 0.000 0.000 0.255 51 N C 0.597 176.093 175.510 -0.023 0.000 1.008 51 N CA 0.471 53.521 53.050 0.000 0.000 0.742 51 N CB -0.392 38.090 38.487 -0.008 0.000 0.906 51 N HN 0.349 nan 8.380 nan 0.000 0.541 52 T N -2.454 112.036 114.554 -0.107 0.000 3.035 52 T HA -0.089 4.261 4.350 0.000 0.000 0.268 52 T C 0.282 174.749 174.700 -0.389 0.000 1.109 52 T CA 0.937 62.866 62.100 -0.286 0.000 1.119 52 T CB -0.028 68.566 68.868 -0.456 0.000 0.900 52 T HN 0.328 nan 8.240 nan 0.000 0.503 53 Y N 1.515 121.915 120.300 0.166 0.000 2.712 53 Y HA 0.623 5.173 4.550 0.000 0.000 0.328 53 Y C 0.223 176.226 175.900 0.172 0.000 0.995 53 Y CA -1.798 56.415 58.100 0.189 0.000 1.283 53 Y CB 0.728 39.357 38.460 0.283 0.000 1.092 53 Y HN 0.008 nan 8.280 nan 0.000 0.519 54 R N 2.735 123.370 120.500 0.225 0.000 2.265 54 R HA 0.453 4.793 4.340 0.000 0.000 0.314 54 R C -1.040 175.362 176.300 0.169 0.000 1.053 54 R CA -0.211 55.990 56.100 0.168 0.000 0.931 54 R CB 0.344 30.703 30.300 0.099 0.000 1.024 54 R HN 0.678 nan 8.270 nan 0.000 0.457 55 L N 4.945 126.270 121.223 0.171 0.000 2.360 55 L HA 0.241 4.582 4.340 0.000 0.000 0.276 55 L C 0.538 177.485 176.870 0.128 0.000 1.121 55 L CA 0.012 54.951 54.840 0.164 0.000 0.845 55 L CB 0.823 42.998 42.059 0.193 0.000 1.143 55 L HN 0.513 nan 8.230 nan 0.000 0.452 56 K N 3.977 124.445 120.400 0.114 0.000 2.185 56 K HA 0.572 4.892 4.320 0.000 0.000 0.271 56 K C -0.627 176.006 176.600 0.054 0.000 1.013 56 K CA -0.412 55.920 56.287 0.075 0.000 0.943 56 K CB 1.151 33.690 32.500 0.065 0.000 0.998 56 K HN 0.401 nan 8.250 nan 0.000 0.468 57 L N 1.387 122.581 121.223 -0.048 0.000 2.256 57 L HA 0.484 4.824 4.340 0.000 0.000 0.261 57 L C -1.026 175.617 176.870 -0.379 0.000 1.022 57 L CA -1.075 53.622 54.840 -0.238 0.000 0.828 57 L CB 0.938 42.952 42.059 -0.076 0.000 1.374 57 L HN 0.519 nan 8.230 nan 0.000 0.436 58 Y N 0.248 120.082 120.300 -0.776 0.000 2.517 58 Y HA 0.345 4.896 4.550 0.000 0.000 0.346 58 Y C -0.805 174.972 175.900 -0.205 0.000 1.113 58 Y CA -0.500 57.337 58.100 -0.437 0.000 1.295 58 Y CB 1.339 39.399 38.460 -0.666 0.000 1.094 58 Y HN 0.425 nan 8.280 nan 0.000 0.608 59 S N 5.741 121.375 115.700 -0.109 0.000 2.430 59 S HA 0.608 5.078 4.470 0.000 0.000 0.289 59 S C -0.759 173.810 174.600 -0.052 0.000 1.143 59 S CA -0.498 57.677 58.200 -0.043 0.000 1.067 59 S CB 0.054 63.219 63.200 -0.058 0.000 0.964 59 S HN 0.539 nan 8.310 nan 0.000 0.485 60 L N 1.329 122.512 121.223 -0.067 0.000 2.323 60 L HA 0.785 5.125 4.340 0.000 0.000 0.265 60 L C -0.327 176.469 176.870 -0.125 0.000 1.012 60 L CA -0.844 53.898 54.840 -0.164 0.000 0.820 60 L CB 1.062 42.708 42.059 -0.688 0.000 1.334 60 L HN 0.349 nan 8.230 nan 0.000 0.427 61 R N 1.162 121.627 120.500 -0.058 0.000 2.468 61 R HA 0.307 4.648 4.340 0.000 0.000 0.302 61 R C -1.836 174.535 176.300 0.118 0.000 1.041 61 R CA -0.402 55.732 56.100 0.058 0.000 0.899 61 R CB 0.964 31.325 30.300 0.101 0.000 1.167 61 R HN 0.850 nan 8.270 nan 0.000 0.483 62 W N 5.151 126.574 121.300 0.205 0.000 2.264 62 W HA 0.072 4.732 4.660 0.000 0.000 0.331 62 W C 1.770 178.397 176.519 0.181 0.000 1.364 62 W CA -0.253 57.231 57.345 0.232 0.000 1.253 62 W CB 0.425 30.008 29.460 0.204 0.000 1.215 62 W HN 0.570 nan 8.180 nan 0.000 0.561 63 I N 0.551 121.360 120.570 0.397 0.000 4.018 63 I HA 0.327 4.497 4.170 0.000 0.000 0.337 63 I C 0.590 176.860 176.117 0.255 0.000 1.327 63 I CA -0.066 61.386 61.300 0.254 0.000 1.100 63 I CB -0.316 37.782 38.000 0.164 0.000 1.025 63 I HN 0.296 nan 8.210 nan 0.000 0.396 64 S N -0.426 115.475 115.700 0.334 0.000 2.715 64 S HA 0.211 4.681 4.470 0.000 0.000 0.284 64 S C -0.330 174.434 174.600 0.274 0.000 1.216 64 S CA -0.165 58.207 58.200 0.287 0.000 0.970 64 S CB 1.274 64.663 63.200 0.314 0.000 1.273 64 S HN 0.088 nan 8.310 nan 0.000 0.509 65 D N -0.927 119.580 120.400 0.177 0.000 2.349 65 D HA 0.309 4.949 4.640 0.000 0.000 0.214 65 D C 0.777 176.949 176.300 -0.214 0.000 1.063 65 D CA 0.631 54.575 54.000 -0.094 0.000 0.847 65 D CB 0.008 40.675 40.800 -0.221 0.000 0.933 65 D HN 0.589 nan 8.370 nan 0.000 0.513 66 H N -1.451 117.799 119.070 0.300 0.000 3.457 66 H HA 0.441 4.997 4.556 0.000 0.000 0.255 66 H C -0.123 175.335 175.328 0.216 0.000 1.082 66 H CA -0.165 56.043 56.048 0.268 0.000 1.189 66 H CB 0.779 30.654 29.762 0.188 0.000 1.511 66 H HN -0.004 nan 8.280 nan 0.000 0.527 67 E N 0.520 120.965 120.200 0.408 0.000 2.367 67 E HA 0.388 4.738 4.350 0.000 0.000 0.273 67 E C -1.479 175.313 176.600 0.320 0.000 0.903 67 E CA -1.250 55.295 56.400 0.241 0.000 0.764 67 E CB 2.915 32.701 29.700 0.145 0.000 1.252 67 E HN 0.189 nan 8.360 nan 0.000 0.446 68 Y N -0.786 119.549 120.300 0.059 0.000 2.576 68 Y HA 0.650 5.200 4.550 0.000 0.000 0.346 68 Y C -1.476 174.432 175.900 0.013 0.000 1.018 68 Y CA -1.378 56.658 58.100 -0.106 0.000 1.050 68 Y CB 0.831 38.849 38.460 -0.738 0.000 1.280 68 Y HN 0.358 nan 8.280 nan 0.000 0.474 69 L N 2.730 124.108 121.223 0.258 0.000 2.325 69 L HA 0.379 4.719 4.340 0.000 0.000 0.279 69 L C -1.316 175.761 176.870 0.345 0.000 1.054 69 L CA -0.977 53.983 54.840 0.199 0.000 0.804 69 L CB 1.350 43.424 42.059 0.025 0.000 1.200 69 L HN 0.780 nan 8.230 nan 0.000 0.436 70 Y N 2.976 123.374 120.300 0.163 0.000 2.594 70 Y HA 0.262 4.812 4.550 0.000 0.000 0.338 70 Y C -0.348 175.541 175.900 -0.018 0.000 1.019 70 Y CA -1.276 56.865 58.100 0.068 0.000 1.306 70 Y CB 0.640 39.224 38.460 0.207 0.000 1.094 70 Y HN 0.399 nan 8.280 nan 0.000 0.534 71 K N 5.254 125.477 120.400 -0.295 0.000 2.250 71 K HA -0.034 4.286 4.320 0.000 0.000 0.277 71 K C 0.491 176.765 176.600 -0.543 0.000 1.091 71 K CA 0.332 56.424 56.287 -0.325 0.000 1.046 71 K CB 0.445 32.812 32.500 -0.221 0.000 0.982 71 K HN 0.777 nan 8.250 nan 0.000 0.429 72 Q N 1.398 120.942 119.800 -0.426 0.000 2.591 72 Q HA -0.055 4.285 4.340 0.000 0.000 0.204 72 Q C 1.273 177.123 176.000 -0.250 0.000 1.148 72 Q CA 0.454 56.026 55.803 -0.386 0.000 0.981 72 Q CB 0.371 29.036 28.738 -0.122 0.000 3.255 72 Q HN 0.573 nan 8.270 nan 0.000 0.512 73 E N -0.756 119.357 120.200 -0.145 0.000 2.065 73 E HA -0.082 4.269 4.350 0.000 0.000 0.191 73 E C 1.545 178.102 176.600 -0.072 0.000 0.960 73 E CA 0.288 56.628 56.400 -0.100 0.000 0.824 73 E CB 0.198 29.860 29.700 -0.063 0.000 0.793 73 E HN 0.413 nan 8.360 nan 0.000 0.459 74 N N 1.343 120.008 118.700 -0.059 0.000 2.132 74 N HA -0.070 4.670 4.740 0.000 0.000 0.187 74 N C 0.833 176.297 175.510 -0.076 0.000 1.038 74 N CA 0.998 54.020 53.050 -0.046 0.000 0.846 74 N CB -0.240 38.228 38.487 -0.033 0.000 1.012 74 N HN 0.254 nan 8.380 nan 0.000 0.429 75 N N 0.428 119.074 118.700 -0.090 0.000 2.879 75 N HA 0.367 5.107 4.740 0.000 0.000 0.329 75 N C -0.681 174.743 175.510 -0.144 0.000 1.337 75 N CA -0.472 52.507 53.050 -0.119 0.000 0.844 75 N CB 0.899 39.338 38.487 -0.080 0.000 1.236 75 N HN -0.045 nan 8.380 nan 0.000 0.601 76 I N -0.197 120.300 120.570 -0.122 0.000 2.498 76 I HA 0.374 4.545 4.170 0.000 0.000 0.290 76 I C -0.650 175.471 176.117 0.006 0.000 1.032 76 I CA -0.777 60.464 61.300 -0.098 0.000 1.073 76 I CB 1.756 39.657 38.000 -0.165 0.000 1.251 76 I HN 0.247 nan 8.210 nan 0.000 0.426 77 L N 5.840 127.091 121.223 0.047 0.000 2.319 77 L HA 0.691 5.031 4.340 0.000 0.000 0.267 77 L C -0.601 176.291 176.870 0.037 0.000 1.011 77 L CA -1.138 53.715 54.840 0.021 0.000 0.818 77 L CB 2.356 44.395 42.059 -0.033 0.000 1.316 77 L HN 0.303 nan 8.230 nan 0.000 0.432 78 V N 1.436 121.292 119.914 -0.096 0.000 2.495 78 V HA 0.560 4.680 4.120 0.000 0.000 0.298 78 V C -1.156 174.709 176.094 -0.381 0.000 1.031 78 V CA -0.217 62.035 62.300 -0.081 0.000 0.871 78 V CB 1.652 33.519 31.823 0.073 0.000 0.988 78 V HN 0.484 nan 8.190 nan 0.000 0.432 79 F N 4.760 124.466 119.950 -0.406 0.000 2.522 79 F HA 0.517 5.044 4.527 0.000 0.000 0.324 79 F C 0.432 175.948 175.800 -0.472 0.000 1.077 79 F CA -0.571 57.097 58.000 -0.553 0.000 0.944 79 F CB 1.806 40.166 39.000 -1.067 0.000 1.175 79 F HN 0.496 nan 8.300 nan 0.000 0.468 80 N N 1.862 120.508 118.700 -0.091 0.000 2.439 80 N HA 0.261 5.001 4.740 0.000 0.000 0.249 80 N C 0.512 175.951 175.510 -0.118 0.000 1.003 80 N CA 0.116 53.132 53.050 -0.057 0.000 0.942 80 N CB 1.725 40.241 38.487 0.049 0.000 1.115 80 N HN 0.815 nan 8.380 nan 0.000 0.505 81 A N 3.713 126.404 122.820 -0.216 0.000 1.917 81 A HA -0.217 4.103 4.320 0.000 0.000 0.219 81 A C 1.909 179.229 177.584 -0.440 0.000 1.182 81 A CA 1.718 53.524 52.037 -0.384 0.000 0.633 81 A CB -0.428 18.076 19.000 -0.827 0.000 0.819 81 A HN 0.777 nan 8.150 nan 0.000 0.448 82 E N -1.089 118.848 120.200 -0.439 0.000 2.038 82 E HA -0.186 4.164 4.350 0.000 0.000 0.195 82 E C 1.531 177.861 176.600 -0.450 0.000 1.000 82 E CA 2.023 58.169 56.400 -0.424 0.000 0.803 82 E CB -0.333 28.956 29.700 -0.683 0.000 0.750 82 E HN 0.738 nan 8.360 nan 0.000 0.448 83 Y N -2.389 117.920 120.300 0.015 0.000 2.522 83 Y HA 0.386 4.936 4.550 0.000 0.000 0.277 83 Y C 1.791 177.698 175.900 0.010 0.000 1.104 83 Y CA 0.421 58.529 58.100 0.015 0.000 1.260 83 Y CB 0.530 38.998 38.460 0.014 0.000 1.151 83 Y HN 0.192 nan 8.280 nan 0.000 0.539 84 G N 0.380 109.263 108.800 0.138 0.000 2.179 84 G HA2 -0.270 3.690 3.960 0.000 0.000 0.220 84 G HA3 -0.270 3.690 3.960 0.000 0.000 0.220 84 G C 0.028 175.061 174.900 0.221 0.000 0.990 84 G CA -0.021 45.167 45.100 0.147 0.000 0.646 84 G HN 0.427 nan 8.290 nan 0.000 0.517 85 N N 0.896 119.687 118.700 0.151 0.000 2.399 85 N HA 0.598 5.338 4.740 0.000 0.000 0.250 85 N C 0.092 175.544 175.510 -0.096 0.000 1.272 85 N CA 0.804 53.884 53.050 0.050 0.000 0.928 85 N CB 1.476 39.981 38.487 0.029 0.000 1.158 85 N HN 1.078 nan 8.380 nan 0.000 0.463 86 S N -1.245 114.302 115.700 -0.254 0.000 2.625 86 S HA 0.699 5.169 4.470 0.000 0.000 0.271 86 S C -1.206 173.196 174.600 -0.330 0.000 1.161 86 S CA -0.901 56.990 58.200 -0.514 0.000 0.820 86 S CB 1.300 63.686 63.200 -1.357 0.000 1.137 86 S HN 0.624 nan 8.310 nan 0.000 0.470 87 S N 0.218 115.730 115.700 -0.313 0.000 2.569 87 S HA 0.642 5.112 4.470 0.000 0.000 0.280 87 S C -0.790 173.714 174.600 -0.160 0.000 1.111 87 S CA -0.753 57.332 58.200 -0.192 0.000 0.887 87 S CB 1.653 64.767 63.200 -0.144 0.000 1.095 87 S HN 0.776 nan 8.310 nan 0.000 0.476 88 V N 2.934 122.779 119.914 -0.116 0.000 2.555 88 V HA 0.173 4.293 4.120 0.000 0.000 0.286 88 V C 0.544 176.616 176.094 -0.038 0.000 1.044 88 V CA 0.152 62.412 62.300 -0.067 0.000 1.026 88 V CB 0.301 32.082 31.823 -0.070 0.000 0.981 88 V HN 0.956 nan 8.190 nan 0.000 0.480 89 F N 5.931 125.817 119.950 -0.105 0.000 2.387 89 F HA 0.303 4.830 4.527 0.000 0.000 0.294 89 F C 0.339 176.092 175.800 -0.079 0.000 1.093 89 F CA 0.387 58.338 58.000 -0.081 0.000 1.420 89 F CB 0.551 39.513 39.000 -0.063 0.000 1.086 89 F HN 0.372 nan 8.300 nan 0.000 0.531 90 L N -0.732 120.560 121.223 0.116 0.000 2.735 90 L HA 0.418 4.759 4.340 0.000 0.000 0.258 90 L C -0.827 176.002 176.870 -0.069 0.000 0.920 90 L CA -1.218 53.626 54.840 0.006 0.000 0.958 90 L CB 0.207 42.324 42.059 0.096 0.000 1.499 90 L HN -0.272 nan 8.230 nan 0.000 0.441 91 E N 1.828 121.958 120.200 -0.116 0.000 2.428 91 E HA 0.253 4.603 4.350 0.000 0.000 0.257 91 E C 1.242 177.768 176.600 -0.124 0.000 1.197 91 E CA 0.486 56.818 56.400 -0.113 0.000 0.974 91 E CB 0.687 30.317 29.700 -0.117 0.000 0.976 91 E HN 0.735 nan 8.360 nan 0.000 0.463 92 N N 0.262 118.910 118.700 -0.087 0.000 2.135 92 N HA -0.141 4.599 4.740 0.000 0.000 0.186 92 N C 1.400 176.894 175.510 -0.027 0.000 1.027 92 N CA 1.330 54.351 53.050 -0.047 0.000 0.849 92 N CB -0.376 38.093 38.487 -0.030 0.000 1.002 92 N HN 0.356 nan 8.380 nan 0.000 0.425 93 S N 0.833 116.499 115.700 -0.056 0.000 2.469 93 S HA -0.078 4.392 4.470 0.000 0.000 0.238 93 S C 1.786 176.308 174.600 -0.130 0.000 0.998 93 S CA 1.138 59.305 58.200 -0.055 0.000 0.957 93 S CB -0.947 62.221 63.200 -0.054 0.000 0.764 93 S HN 0.258 nan 8.310 nan 0.000 0.514 94 T N 1.480 115.870 114.554 -0.274 0.000 2.836 94 T HA -0.101 4.249 4.350 0.000 0.000 0.268 94 T C 0.344 174.599 174.700 -0.742 0.000 1.080 94 T CA 1.357 63.111 62.100 -0.577 0.000 1.128 94 T CB -0.478 67.858 68.868 -0.887 0.000 0.839 94 T HN 0.607 nan 8.240 nan 0.000 0.507 95 F N 0.228 120.132 119.950 -0.076 0.000 2.764 95 F HA 0.331 4.859 4.527 0.000 0.000 0.310 95 F C 1.179 177.009 175.800 0.049 0.000 1.124 95 F CA -1.337 56.639 58.000 -0.040 0.000 1.252 95 F CB 0.145 39.056 39.000 -0.148 0.000 1.010 95 F HN -0.074 nan 8.300 nan 0.000 0.518 96 D N 1.336 121.818 120.400 0.136 0.000 2.137 96 D HA -0.220 4.421 4.640 0.000 0.000 0.189 96 D C 1.508 177.877 176.300 0.115 0.000 0.998 96 D CA 1.771 55.833 54.000 0.103 0.000 0.839 96 D CB -0.328 40.496 40.800 0.041 0.000 0.962 96 D HN 0.519 nan 8.370 nan 0.000 0.446 97 E N 0.231 120.491 120.200 0.100 0.000 2.424 97 E HA -0.019 4.331 4.350 0.000 0.000 0.237 97 E C 0.883 177.552 176.600 0.115 0.000 1.381 97 E CA -0.304 56.138 56.400 0.069 0.000 1.587 97 E CB -0.482 29.241 29.700 0.038 0.000 1.398 97 E HN 0.187 nan 8.360 nan 0.000 0.439 98 F N 1.596 121.549 119.950 0.006 0.000 2.270 98 F HA 0.199 4.726 4.527 0.000 0.000 0.295 98 F C 1.701 177.403 175.800 -0.163 0.000 1.087 98 F CA 1.512 59.502 58.000 -0.017 0.000 1.365 98 F CB 0.202 39.203 39.000 0.000 0.000 1.056 98 F HN 0.346 nan 8.300 nan 0.000 0.506 99 G N -0.703 107.932 108.800 -0.274 0.000 2.176 99 G HA2 -0.187 3.773 3.960 0.000 0.000 0.232 99 G HA3 -0.187 3.773 3.960 0.000 0.000 0.232 99 G C 0.092 174.538 174.900 -0.758 0.000 0.986 99 G CA 0.204 44.976 45.100 -0.547 0.000 0.643 99 G HN 0.550 nan 8.290 nan 0.000 0.522 100 H N -0.548 118.409 119.070 -0.188 0.000 2.985 100 H HA 0.683 5.239 4.556 0.000 0.000 0.360 100 H C -0.654 174.716 175.328 0.071 0.000 1.221 100 H CA 0.026 56.019 56.048 -0.091 0.000 1.121 100 H CB 1.470 31.049 29.762 -0.305 0.000 1.854 100 H HN 0.177 nan 8.280 nan 0.000 0.551 101 S N 1.263 117.086 115.700 0.205 0.000 2.475 101 S HA 0.437 4.907 4.470 0.000 0.000 0.281 101 S C -0.050 174.602 174.600 0.086 0.000 1.198 101 S CA -0.684 57.588 58.200 0.120 0.000 1.063 101 S CB -0.372 62.879 63.200 0.085 0.000 0.972 101 S HN 0.358 nan 8.310 nan 0.000 0.486 102 I N 5.422 125.983 120.570 -0.016 0.000 2.353 102 I HA 0.325 4.495 4.170 0.000 0.000 0.293 102 I C 1.028 177.037 176.117 -0.181 0.000 0.992 102 I CA -0.523 60.663 61.300 -0.190 0.000 1.268 102 I CB 1.162 38.842 38.000 -0.534 0.000 1.387 102 I HN 0.754 nan 8.210 nan 0.000 0.478 103 N N 3.520 122.093 118.700 -0.211 0.000 2.177 103 N HA 0.126 4.866 4.740 0.000 0.000 0.218 103 N C -0.616 174.765 175.510 -0.215 0.000 1.182 103 N CA -0.051 52.881 53.050 -0.196 0.000 0.882 103 N CB 0.931 39.273 38.487 -0.240 0.000 1.052 103 N HN 0.556 nan 8.380 nan 0.000 0.519 104 D N 0.069 120.296 120.400 -0.289 0.000 2.795 104 D HA 0.183 4.824 4.640 0.000 0.000 0.206 104 D C -1.819 174.331 176.300 -0.250 0.000 1.278 104 D CA -0.262 53.640 54.000 -0.162 0.000 0.839 104 D CB 1.011 41.758 40.800 -0.088 0.000 1.700 104 D HN -0.038 nan 8.370 nan 0.000 0.549 105 Y N 0.844 121.133 120.300 -0.018 0.000 2.334 105 Y HA 0.419 4.969 4.550 0.000 0.000 0.336 105 Y C 0.527 176.469 175.900 0.070 0.000 0.960 105 Y CA -0.705 57.400 58.100 0.007 0.000 1.164 105 Y CB 2.096 40.546 38.460 -0.017 0.000 1.155 105 Y HN 0.108 nan 8.280 nan 0.000 0.478 106 S N 5.247 121.111 115.700 0.273 0.000 2.601 106 S HA 0.551 5.022 4.470 0.000 0.000 0.312 106 S C -0.606 174.262 174.600 0.448 0.000 1.107 106 S CA -0.541 57.857 58.200 0.330 0.000 1.129 106 S CB -0.334 63.066 63.200 0.335 0.000 0.982 106 S HN 0.586 nan 8.310 nan 0.000 0.469 107 I N 4.719 125.415 120.570 0.211 0.000 2.416 107 I HA 0.180 4.350 4.170 0.000 0.000 0.288 107 I C 1.039 177.019 176.117 -0.228 0.000 1.051 107 I CA -0.387 60.939 61.300 0.044 0.000 1.375 107 I CB 1.236 39.151 38.000 -0.142 0.000 1.407 107 I HN 0.680 nan 8.210 nan 0.000 0.516 108 S N 7.795 123.087 115.700 -0.680 0.000 2.573 108 S HA 0.136 4.606 4.470 0.000 0.000 0.277 108 S C -1.339 172.958 174.600 -0.504 0.000 1.346 108 S CA -0.989 56.421 58.200 -1.317 0.000 1.034 108 S CB 0.473 62.705 63.200 -1.613 0.000 0.879 108 S HN 0.538 nan 8.310 nan 0.000 0.528 109 P HA -0.100 nan 4.420 nan 0.000 0.223 109 P C 0.545 177.787 177.300 -0.096 0.000 1.144 109 P CA 0.938 63.953 63.100 -0.143 0.000 0.783 109 P CB 0.037 31.680 31.700 -0.095 0.000 0.771 110 D N -0.045 120.277 120.400 -0.129 0.000 2.097 110 D HA -0.042 4.598 4.640 0.000 0.000 0.197 110 D C 1.847 178.139 176.300 -0.013 0.000 0.984 110 D CA 2.089 56.063 54.000 -0.042 0.000 0.826 110 D CB -0.556 40.264 40.800 0.034 0.000 0.973 110 D HN 0.247 nan 8.370 nan 0.000 0.460 111 G N -0.031 108.759 108.800 -0.016 0.000 2.179 111 G HA2 -0.267 3.693 3.960 0.000 0.000 0.220 111 G HA3 -0.267 3.693 3.960 0.000 0.000 0.220 111 G C 0.854 175.797 174.900 0.073 0.000 0.990 111 G CA 0.461 45.630 45.100 0.114 0.000 0.646 111 G HN 0.407 nan 8.290 nan 0.000 0.517 112 Q N -1.149 118.587 119.800 -0.107 0.000 2.396 112 Q HA 0.471 4.812 4.340 0.000 0.000 0.209 112 Q C 0.153 175.778 176.000 -0.626 0.000 0.906 112 Q CA 0.489 56.050 55.803 -0.402 0.000 0.927 112 Q CB 0.714 29.084 28.738 -0.613 0.000 1.069 112 Q HN 0.498 nan 8.270 nan 0.000 0.523 113 F N 0.121 120.086 119.950 0.025 0.000 2.603 113 F HA 0.547 5.074 4.527 0.000 0.000 0.317 113 F C -0.544 175.392 175.800 0.228 0.000 1.066 113 F CA -1.212 56.864 58.000 0.128 0.000 0.941 113 F CB 1.679 40.765 39.000 0.144 0.000 1.291 113 F HN -0.228 nan 8.300 nan 0.000 0.472 114 I N 3.043 123.981 120.570 0.614 0.000 2.478 114 I HA 0.281 4.451 4.170 0.000 0.000 0.287 114 I C -1.419 174.998 176.117 0.501 0.000 1.042 114 I CA -0.849 60.767 61.300 0.526 0.000 1.067 114 I CB 2.001 40.294 38.000 0.488 0.000 1.233 114 I HN 0.286 nan 8.210 nan 0.000 0.431 115 L N 7.687 129.215 121.223 0.509 0.000 2.313 115 L HA 0.424 4.764 4.340 0.000 0.000 0.282 115 L C -0.737 176.207 176.870 0.124 0.000 1.092 115 L CA 0.210 55.214 54.840 0.274 0.000 0.831 115 L CB 0.532 42.674 42.059 0.139 0.000 1.159 115 L HN 0.437 nan 8.230 nan 0.000 0.442 116 L N 5.238 126.465 121.223 0.007 0.000 2.272 116 L HA 0.471 4.811 4.340 0.000 0.000 0.289 116 L C -0.042 176.750 176.870 -0.129 0.000 1.032 116 L CA -0.396 54.302 54.840 -0.237 0.000 0.810 116 L CB 1.420 43.178 42.059 -0.502 0.000 1.205 116 L HN 0.624 nan 8.230 nan 0.000 0.422 117 E N 3.756 123.809 120.200 -0.246 0.000 2.133 117 E HA 0.435 4.785 4.350 0.000 0.000 0.274 117 E C -1.610 174.875 176.600 -0.192 0.000 0.930 117 E CA -0.524 55.675 56.400 -0.336 0.000 0.770 117 E CB 1.096 30.651 29.700 -0.242 0.000 1.104 117 E HN 0.428 nan 8.360 nan 0.000 0.403 118 Y N 1.567 121.643 120.300 -0.373 0.000 2.689 118 Y HA 0.468 5.018 4.550 0.000 0.000 0.333 118 Y C -0.210 175.554 175.900 -0.225 0.000 1.190 118 Y CA -1.647 56.315 58.100 -0.230 0.000 1.063 118 Y CB 0.731 39.112 38.460 -0.132 0.000 1.294 118 Y HN 0.465 nan 8.280 nan 0.000 0.466 119 N N -0.087 118.570 118.700 -0.072 0.000 2.758 119 N HA -0.282 4.458 4.740 0.000 0.000 0.248 119 N C -1.204 174.228 175.510 -0.131 0.000 1.076 119 N CA 0.855 53.823 53.050 -0.136 0.000 0.696 119 N CB -1.479 36.827 38.487 -0.303 0.000 0.979 119 N HN 0.849 nan 8.380 nan 0.000 0.550 120 Y N 0.579 120.774 120.300 -0.176 0.000 2.697 120 Y HA 0.275 4.825 4.550 0.000 0.000 0.349 120 Y C -0.018 175.806 175.900 -0.126 0.000 1.120 120 Y CA -0.029 57.956 58.100 -0.192 0.000 1.468 120 Y CB 0.478 38.789 38.460 -0.248 0.000 1.182 120 Y HN 0.016 nan 8.280 nan 0.000 0.525 121 V N 8.493 128.034 119.914 -0.622 0.000 2.284 121 V HA 0.150 4.270 4.120 0.000 0.000 0.274 121 V C 0.170 175.893 176.094 -0.617 0.000 1.023 121 V CA -1.226 60.765 62.300 -0.515 0.000 0.808 121 V CB 0.647 32.312 31.823 -0.263 0.000 1.035 121 V HN 0.708 nan 8.190 nan 0.000 0.445 122 K N 3.732 123.666 120.400 -0.776 0.000 2.494 122 K HA 0.033 4.354 4.320 0.000 0.000 0.273 122 K C 0.368 176.797 176.600 -0.285 0.000 0.970 122 K CA 0.638 56.666 56.287 -0.432 0.000 0.963 122 K CB 0.940 33.346 32.500 -0.157 0.000 0.913 122 K HN 0.773 nan 8.250 nan 0.000 0.502 123 Q N 1.994 121.636 119.800 -0.264 0.000 2.784 123 Q HA 0.196 4.536 4.340 0.000 0.000 0.207 123 Q C -0.025 175.778 176.000 -0.327 0.000 1.021 123 Q CA -0.528 54.928 55.803 -0.580 0.000 0.417 123 Q CB 0.206 28.419 28.738 -0.875 0.000 4.567 123 Q HN 0.734 nan 8.270 nan 0.000 0.306 124 W N 0.380 121.695 121.300 0.025 0.000 1.763 124 W HA 0.304 4.964 4.660 0.000 0.000 0.619 124 W C 1.791 178.306 176.519 -0.006 0.000 1.755 124 W CA -0.428 56.952 57.345 0.058 0.000 1.933 124 W CB -0.150 29.306 29.460 -0.005 0.000 3.002 124 W HN 0.402 nan 8.180 nan 0.000 0.782 125 R N -0.576 120.040 120.500 0.193 0.000 2.073 125 R HA -0.163 4.177 4.340 0.000 0.000 0.234 125 R C 1.897 178.048 176.300 -0.249 0.000 1.134 125 R CA 2.092 58.120 56.100 -0.119 0.000 0.952 125 R CB -0.600 29.476 30.300 -0.373 0.000 0.850 125 R HN 0.435 nan 8.270 nan 0.000 0.433 126 H N -0.924 118.227 119.070 0.135 0.000 2.426 126 H HA 0.233 4.789 4.556 0.000 0.000 0.286 126 H C 0.704 176.103 175.328 0.119 0.000 0.990 126 H CA 0.668 56.808 56.048 0.153 0.000 1.237 126 H CB -0.436 29.402 29.762 0.126 0.000 1.466 126 H HN 0.261 nan 8.280 nan 0.000 0.525 127 S N 1.334 117.000 115.700 -0.058 0.000 2.572 127 S HA 0.213 4.683 4.470 0.000 0.000 0.267 127 S C -0.188 174.268 174.600 -0.240 0.000 1.361 127 S CA -0.129 57.691 58.200 -0.632 0.000 1.009 127 S CB 0.239 62.592 63.200 -1.411 0.000 0.888 127 S HN 0.496 nan 8.310 nan 0.000 0.553 128 Y N -3.117 117.000 120.300 -0.306 0.000 2.841 128 Y HA 0.558 5.108 4.550 0.000 0.000 0.373 128 Y C -0.852 175.003 175.900 -0.075 0.000 1.170 128 Y CA -0.829 57.142 58.100 -0.216 0.000 1.196 128 Y CB 0.251 38.639 38.460 -0.120 0.000 1.433 128 Y HN 0.960 nan 8.280 nan 0.000 0.479 129 T N 0.107 114.727 114.554 0.110 0.000 2.932 129 T HA 1.038 5.388 4.350 0.000 0.000 0.289 129 T C -0.376 174.407 174.700 0.139 0.000 1.039 129 T CA -0.102 62.070 62.100 0.119 0.000 1.024 129 T CB 1.791 70.659 68.868 0.000 0.000 1.090 129 T HN 1.992 nan 8.240 nan 0.000 0.496 130 A N 0.982 123.869 122.820 0.112 0.000 2.540 130 A HA 0.737 5.057 4.320 0.000 0.000 0.291 130 A C -0.641 176.738 177.584 -0.343 0.000 1.083 130 A CA -1.002 50.943 52.037 -0.154 0.000 0.650 130 A CB 0.918 19.798 19.000 -0.200 0.000 1.292 130 A HN 0.846 nan 8.150 nan 0.000 0.435 131 S N -0.468 114.781 115.700 -0.752 0.000 2.565 131 S HA 0.793 5.263 4.470 0.000 0.000 0.290 131 S C -1.408 172.500 174.600 -1.153 0.000 1.150 131 S CA -0.052 57.625 58.200 -0.871 0.000 1.058 131 S CB 0.576 63.015 63.200 -1.269 0.000 1.032 131 S HN 0.441 nan 8.310 nan 0.000 0.510 132 Y N 0.289 120.330 120.300 -0.432 0.000 2.545 132 Y HA 0.593 5.143 4.550 0.000 0.000 0.348 132 Y C -0.142 175.771 175.900 0.023 0.000 1.002 132 Y CA -0.965 57.021 58.100 -0.190 0.000 1.039 132 Y CB 1.716 40.028 38.460 -0.246 0.000 1.271 132 Y HN 0.484 nan 8.280 nan 0.000 0.467 133 D N 1.407 121.965 120.400 0.264 0.000 2.753 133 D HA 0.520 5.161 4.640 0.000 0.000 0.224 133 D C -1.191 175.204 176.300 0.158 0.000 1.213 133 D CA -0.344 53.798 54.000 0.235 0.000 0.833 133 D CB 2.714 43.743 40.800 0.382 0.000 1.607 133 D HN 0.395 nan 8.370 nan 0.000 0.463 134 I N 1.714 122.383 120.570 0.165 0.000 2.406 134 I HA 0.246 4.416 4.170 0.000 0.000 0.290 134 I C -0.987 175.330 176.117 0.334 0.000 0.999 134 I CA -0.977 60.458 61.300 0.226 0.000 1.124 134 I CB 1.675 39.756 38.000 0.136 0.000 1.289 134 I HN 0.237 nan 8.210 nan 0.000 0.441 135 Y N 5.843 126.316 120.300 0.288 0.000 2.385 135 Y HA 0.246 4.796 4.550 0.000 0.000 0.341 135 Y C 0.033 176.164 175.900 0.385 0.000 0.965 135 Y CA -0.643 57.654 58.100 0.329 0.000 1.180 135 Y CB 0.714 39.419 38.460 0.409 0.000 1.139 135 Y HN 0.482 nan 8.280 nan 0.000 0.502 136 D N 6.221 126.602 120.400 -0.031 0.000 2.339 136 D HA 0.037 4.677 4.640 0.000 0.000 0.256 136 D C 0.726 176.799 176.300 -0.378 0.000 1.214 136 D CA 0.383 54.369 54.000 -0.024 0.000 0.877 136 D CB 1.019 41.847 40.800 0.047 0.000 1.111 136 D HN 0.868 nan 8.370 nan 0.000 0.478 137 L N 3.825 124.881 121.223 -0.279 0.000 2.240 137 L HA -0.100 4.240 4.340 0.000 0.000 0.211 137 L C 2.055 178.801 176.870 -0.207 0.000 1.106 137 L CA 0.241 54.981 54.840 -0.166 0.000 0.793 137 L CB -0.205 41.826 42.059 -0.047 0.000 0.927 137 L HN 0.394 nan 8.230 nan 0.000 0.446 138 N N 1.306 119.844 118.700 -0.270 0.000 2.058 138 N HA -0.181 4.559 4.740 0.000 0.000 0.191 138 N C 1.529 176.951 175.510 -0.146 0.000 1.037 138 N CA 1.483 54.416 53.050 -0.195 0.000 0.848 138 N CB -0.154 38.215 38.487 -0.197 0.000 1.021 138 N HN 0.494 nan 8.380 nan 0.000 0.422 139 K N 0.896 121.204 120.400 -0.155 0.000 2.404 139 K HA 0.208 4.528 4.320 0.000 0.000 0.194 139 K C -0.180 176.333 176.600 -0.144 0.000 1.023 139 K CA -0.156 56.061 56.287 -0.117 0.000 1.094 139 K CB 0.346 32.797 32.500 -0.083 0.000 0.841 139 K HN -0.040 nan 8.250 nan 0.000 0.523 140 R N 0.801 121.166 120.500 -0.224 0.000 3.405 140 R HA -0.195 4.145 4.340 0.000 0.000 0.258 140 R C -0.806 175.334 176.300 -0.267 0.000 1.030 140 R CA 0.766 56.726 56.100 -0.233 0.000 0.691 140 R CB -1.781 28.508 30.300 -0.018 0.000 1.093 140 R HN 0.438 nan 8.270 nan 0.000 0.448 141 Q N -0.232 119.293 119.800 -0.458 0.000 2.421 141 Q HA 0.559 4.900 4.340 0.000 0.000 0.280 141 Q C -0.726 175.159 176.000 -0.192 0.000 1.085 141 Q CA -0.745 54.949 55.803 -0.181 0.000 0.807 141 Q CB 1.815 30.520 28.738 -0.056 0.000 1.405 141 Q HN 0.248 nan 8.270 nan 0.000 0.419 142 L N 2.552 123.863 121.223 0.146 0.000 2.380 142 L HA 0.369 4.710 4.340 0.000 0.000 0.273 142 L C -0.095 176.862 176.870 0.144 0.000 1.138 142 L CA -0.297 54.700 54.840 0.262 0.000 0.832 142 L CB 0.471 42.761 42.059 0.385 0.000 1.124 142 L HN 0.549 nan 8.230 nan 0.000 0.454 143 I N 2.464 123.117 120.570 0.138 0.000 2.533 143 I HA -0.034 4.136 4.170 0.000 0.000 0.284 143 I C 1.226 177.388 176.117 0.075 0.000 1.109 143 I CA 0.277 61.629 61.300 0.085 0.000 1.412 143 I CB 1.017 39.055 38.000 0.064 0.000 1.396 143 I HN 0.753 nan 8.210 nan 0.000 0.543 144 T N 1.064 115.647 114.554 0.048 0.000 3.010 144 T HA 0.141 4.491 4.350 0.000 0.000 0.257 144 T C 0.380 175.083 174.700 0.005 0.000 1.020 144 T CA -0.422 61.699 62.100 0.036 0.000 0.938 144 T CB 0.086 68.977 68.868 0.038 0.000 1.049 144 T HN 0.646 nan 8.240 nan 0.000 0.522 145 E N 1.251 121.447 120.200 -0.007 0.000 2.221 145 E HA 0.302 4.652 4.350 0.000 0.000 0.268 145 E C -0.622 175.948 176.600 -0.050 0.000 0.933 145 E CA -0.749 55.635 56.400 -0.027 0.000 0.809 145 E CB 1.015 30.702 29.700 -0.022 0.000 1.190 145 E HN 0.024 nan 8.360 nan 0.000 0.406 146 E N 0.161 120.319 120.200 -0.070 0.000 2.365 146 E HA -0.266 4.084 4.350 0.000 0.000 0.237 146 E C 0.129 176.656 176.600 -0.121 0.000 1.238 146 E CA 1.156 57.496 56.400 -0.100 0.000 0.718 146 E CB -1.690 27.956 29.700 -0.090 0.000 1.218 146 E HN 0.708 nan 8.360 nan 0.000 0.387 147 R N -0.317 120.112 120.500 -0.119 0.000 2.707 147 R HA 0.426 4.766 4.340 0.000 0.000 0.270 147 R C 0.754 176.904 176.300 -0.250 0.000 1.083 147 R CA -0.557 55.462 56.100 -0.136 0.000 1.182 147 R CB 0.459 30.718 30.300 -0.070 0.000 1.084 147 R HN 0.016 nan 8.270 nan 0.000 0.528 148 I N 2.300 122.684 120.570 -0.311 0.000 2.668 148 I HA 0.050 4.221 4.170 0.000 0.000 0.285 148 I C -1.741 174.077 176.117 -0.499 0.000 1.168 148 I CA -1.773 59.191 61.300 -0.560 0.000 1.424 148 I CB 0.320 37.959 38.000 -0.600 0.000 1.377 148 I HN 0.449 nan 8.210 nan 0.000 0.560 149 P HA -0.051 nan 4.420 nan 0.000 0.263 149 P C -0.535 176.541 177.300 -0.374 0.000 1.175 149 P CA 0.160 62.832 63.100 -0.714 0.000 0.761 149 P CB 0.280 31.048 31.700 -1.554 0.000 0.794 150 N N 3.335 121.917 118.700 -0.197 0.000 2.453 150 N HA 0.029 4.769 4.740 0.000 0.000 0.253 150 N C 0.506 176.078 175.510 0.105 0.000 1.252 150 N CA 0.433 53.438 53.050 -0.076 0.000 0.917 150 N CB -0.294 38.157 38.487 -0.061 0.000 1.117 150 N HN 0.379 nan 8.380 nan 0.000 0.442 151 N N -0.881 117.870 118.700 0.085 0.000 2.869 151 N HA -0.148 4.592 4.740 0.000 0.000 0.249 151 N C -0.920 174.758 175.510 0.280 0.000 1.104 151 N CA 0.572 53.716 53.050 0.156 0.000 0.760 151 N CB -1.681 36.913 38.487 0.179 0.000 1.108 151 N HN 0.454 nan 8.380 nan 0.000 0.555 152 T N 0.819 115.531 114.554 0.264 0.000 2.901 152 T HA 0.143 4.493 4.350 0.000 0.000 0.301 152 T C 1.722 176.578 174.700 0.260 0.000 1.012 152 T CA 0.085 62.351 62.100 0.275 0.000 1.135 152 T CB 1.323 70.201 68.868 0.016 0.000 0.936 152 T HN 0.141 nan 8.240 nan 0.000 0.539 153 Q N 1.625 121.579 119.800 0.257 0.000 2.204 153 Q HA 0.142 4.482 4.340 0.000 0.000 0.198 153 Q C 0.186 176.439 176.000 0.422 0.000 0.946 153 Q CA 0.530 56.522 55.803 0.315 0.000 0.859 153 Q CB 0.697 29.621 28.738 0.311 0.000 0.946 153 Q HN 0.701 nan 8.270 nan 0.000 0.474 154 W N -0.122 121.197 121.300 0.031 0.000 3.479 154 W HA 0.483 5.144 4.660 0.000 0.000 0.304 154 W C -2.296 174.132 176.519 -0.151 0.000 1.243 154 W CA -0.622 56.683 57.345 -0.066 0.000 1.202 154 W CB 1.323 30.704 29.460 -0.132 0.000 1.346 154 W HN -0.364 nan 8.180 nan 0.000 0.539 155 V N 3.579 122.761 119.914 -1.221 0.000 2.686 155 V HA 0.606 4.726 4.120 0.000 0.000 0.306 155 V C -0.373 175.041 176.094 -1.133 0.000 1.065 155 V CA -0.548 61.146 62.300 -1.010 0.000 0.894 155 V CB 1.854 33.009 31.823 -1.113 0.000 1.004 155 V HN 0.488 nan 8.190 nan 0.000 0.424 156 T N 3.216 117.432 114.554 -0.562 0.000 3.032 156 T HA 0.533 4.883 4.350 0.000 0.000 0.312 156 T C -1.244 173.507 174.700 0.084 0.000 1.078 156 T CA -0.318 61.669 62.100 -0.188 0.000 1.028 156 T CB 0.808 69.804 68.868 0.214 0.000 1.091 156 T HN 0.489 nan 8.240 nan 0.000 0.457 157 W N 3.163 124.503 121.300 0.067 0.000 2.161 157 W HA 0.483 5.143 4.660 0.000 0.000 0.344 157 W C 1.289 177.644 176.519 -0.273 0.000 1.262 157 W CA -0.666 56.659 57.345 -0.033 0.000 1.270 157 W CB 0.739 30.181 29.460 -0.031 0.000 1.126 157 W HN 0.853 nan 8.180 nan 0.000 0.598 158 S N 1.029 116.483 115.700 -0.411 0.000 2.600 158 S HA 0.160 4.631 4.470 0.000 0.000 0.265 158 S C -1.897 172.457 174.600 -0.410 0.000 1.325 158 S CA -0.935 56.535 58.200 -1.217 0.000 1.002 158 S CB 0.873 63.310 63.200 -1.271 0.000 0.921 158 S HN 0.264 nan 8.310 nan 0.000 0.554 159 P HA -0.027 nan 4.420 nan 0.000 0.219 159 P C 1.349 178.602 177.300 -0.079 0.000 1.150 159 P CA 0.980 64.037 63.100 -0.070 0.000 0.814 159 P CB -0.095 31.604 31.700 -0.002 0.000 0.787 160 V N -5.017 114.810 119.914 -0.144 0.000 2.948 160 V HA 0.400 4.520 4.120 0.000 0.000 0.234 160 V C 1.713 177.712 176.094 -0.158 0.000 1.205 160 V CA 0.872 63.102 62.300 -0.116 0.000 1.234 160 V CB -1.451 30.318 31.823 -0.091 0.000 1.020 160 V HN 0.012 nan 8.190 nan 0.000 0.491 161 G N 1.676 110.341 108.800 -0.226 0.000 2.913 161 G HA2 0.115 4.075 3.960 0.000 0.000 0.145 161 G HA3 0.115 4.075 3.960 0.000 0.000 0.145 161 G C 0.701 175.468 174.900 -0.222 0.000 1.801 161 G CA 0.712 45.633 45.100 -0.297 0.000 1.033 161 G HN 0.943 nan 8.290 nan 0.000 0.495 162 H N -1.333 117.724 119.070 -0.021 0.000 2.904 162 H HA 0.400 4.956 4.556 0.000 0.000 0.242 162 H C -0.183 175.281 175.328 0.227 0.000 1.193 162 H CA -0.529 55.543 56.048 0.041 0.000 0.946 162 H CB -0.022 29.863 29.762 0.205 0.000 2.135 162 H HN 0.148 nan 8.280 nan 0.000 0.652 163 K N 1.720 122.228 120.400 0.179 0.000 2.219 163 K HA 0.463 4.783 4.320 0.000 0.000 0.258 163 K C -0.542 176.196 176.600 0.231 0.000 1.008 163 K CA -0.326 56.033 56.287 0.120 0.000 0.928 163 K CB 1.611 33.962 32.500 -0.248 0.000 0.983 163 K HN 0.150 nan 8.250 nan 0.000 0.484 164 L N 1.143 122.526 121.223 0.267 0.000 2.436 164 L HA 0.483 4.823 4.340 0.000 0.000 0.268 164 L C -1.065 176.010 176.870 0.342 0.000 0.974 164 L CA -0.768 54.202 54.840 0.215 0.000 0.826 164 L CB 2.152 44.187 42.059 -0.041 0.000 1.291 164 L HN 0.683 nan 8.230 nan 0.000 0.406 165 A N 2.971 125.999 122.820 0.348 0.000 2.343 165 A HA 0.853 5.174 4.320 0.000 0.000 0.316 165 A C -1.566 176.025 177.584 0.012 0.000 1.104 165 A CA -0.380 51.706 52.037 0.082 0.000 0.768 165 A CB 1.052 20.006 19.000 -0.076 0.000 1.213 165 A HN 0.633 nan 8.150 nan 0.000 0.456 166 Y N -0.280 119.985 120.300 -0.060 0.000 2.588 166 Y HA 0.753 5.303 4.550 0.000 0.000 0.343 166 Y C -1.247 174.674 175.900 0.034 0.000 1.065 166 Y CA -1.718 56.316 58.100 -0.111 0.000 1.038 166 Y CB 0.837 39.148 38.460 -0.248 0.000 1.297 166 Y HN 0.400 nan 8.280 nan 0.000 0.467 167 V N 2.384 122.491 119.914 0.322 0.000 2.513 167 V HA 0.433 4.554 4.120 0.000 0.000 0.299 167 V C -1.465 174.894 176.094 0.442 0.000 1.035 167 V CA -0.559 61.920 62.300 0.299 0.000 0.889 167 V CB 1.552 33.467 31.823 0.154 0.000 0.988 167 V HN 0.879 nan 8.190 nan 0.000 0.440 168 W N 4.982 126.408 121.300 0.211 0.000 3.132 168 W HA 0.440 5.100 4.660 0.000 0.000 0.337 168 W C 0.138 176.708 176.519 0.085 0.000 1.082 168 W CA -0.818 56.585 57.345 0.096 0.000 1.242 168 W CB 1.050 30.493 29.460 -0.027 0.000 1.354 168 W HN 0.799 nan 8.180 nan 0.000 0.461 169 N N 5.463 123.855 118.700 -0.512 0.000 2.754 169 N HA -0.332 4.408 4.740 0.000 0.000 0.248 169 N C 0.133 175.500 175.510 -0.239 0.000 1.093 169 N CA 0.916 53.645 53.050 -0.534 0.000 0.699 169 N CB -1.251 36.706 38.487 -0.883 0.000 1.016 169 N HN 0.841 nan 8.380 nan 0.000 0.552 170 N N -1.735 116.893 118.700 -0.121 0.000 2.800 170 N HA -0.165 4.575 4.740 0.000 0.000 0.250 170 N C -1.370 174.099 175.510 -0.068 0.000 1.078 170 N CA 1.024 54.023 53.050 -0.086 0.000 0.804 170 N CB -0.356 38.020 38.487 -0.186 0.000 1.135 170 N HN 0.432 nan 8.380 nan 0.000 0.565 171 D N 0.488 120.875 120.400 -0.022 0.000 2.457 171 D HA 0.465 5.105 4.640 0.000 0.000 0.240 171 D C 0.165 176.377 176.300 -0.147 0.000 1.041 171 D CA -0.413 53.508 54.000 -0.132 0.000 0.861 171 D CB 1.685 42.369 40.800 -0.194 0.000 1.394 171 D HN 0.021 nan 8.370 nan 0.000 0.473 172 I N 1.605 121.912 120.570 -0.438 0.000 2.472 172 I HA 0.204 4.374 4.170 0.000 0.000 0.290 172 I C -0.681 174.974 176.117 -0.771 0.000 1.016 172 I CA -0.302 60.707 61.300 -0.485 0.000 1.348 172 I CB 0.478 38.098 38.000 -0.633 0.000 1.417 172 I HN 0.163 nan 8.210 nan 0.000 0.521 173 Y N 3.937 123.883 120.300 -0.590 0.000 2.442 173 Y HA 0.544 5.094 4.550 0.000 0.000 0.344 173 Y C -0.387 175.121 175.900 -0.653 0.000 0.976 173 Y CA -0.872 56.801 58.100 -0.711 0.000 1.040 173 Y CB 2.056 39.829 38.460 -1.145 0.000 1.228 173 Y HN 0.113 nan 8.280 nan 0.000 0.451 174 V N 3.399 123.197 119.914 -0.194 0.000 2.540 174 V HA 0.455 4.575 4.120 0.000 0.000 0.302 174 V C -0.644 175.536 176.094 0.142 0.000 1.035 174 V CA -1.321 60.980 62.300 0.001 0.000 0.873 174 V CB 1.872 33.745 31.823 0.083 0.000 0.992 174 V HN 0.608 nan 8.190 nan 0.000 0.428 175 K N 3.820 124.316 120.400 0.161 0.000 2.367 175 K HA 0.544 4.864 4.320 0.000 0.000 0.263 175 K C 0.535 177.265 176.600 0.217 0.000 1.000 175 K CA -0.462 55.914 56.287 0.148 0.000 0.891 175 K CB 1.688 34.245 32.500 0.096 0.000 1.117 175 K HN 0.577 nan 8.250 nan 0.000 0.443 176 I N 1.297 122.024 120.570 0.261 0.000 2.617 176 I HA -0.103 4.067 4.170 0.000 0.000 0.256 176 I C 0.307 176.564 176.117 0.234 0.000 1.167 176 I CA 1.111 62.566 61.300 0.257 0.000 1.469 176 I CB 0.345 38.519 38.000 0.291 0.000 1.098 176 I HN 0.442 nan 8.210 nan 0.000 0.436 177 E N -0.294 119.994 120.200 0.148 0.000 2.246 177 E HA 0.234 4.585 4.350 0.000 0.000 0.266 177 E C -1.919 174.637 176.600 -0.073 0.000 0.880 177 E CA -1.982 54.450 56.400 0.053 0.000 0.762 177 E CB 1.689 31.423 29.700 0.057 0.000 1.180 177 E HN -0.218 nan 8.360 nan 0.000 0.416 178 P HA -0.240 nan 4.420 nan 0.000 0.219 178 P C 0.731 177.921 177.300 -0.182 0.000 1.149 178 P CA 1.558 64.457 63.100 -0.334 0.000 0.835 178 P CB 0.343 31.501 31.700 -0.904 0.000 0.778 179 N N -2.915 115.711 118.700 -0.123 0.000 2.210 179 N HA 0.042 4.782 4.740 0.000 0.000 0.203 179 N C 0.245 175.722 175.510 -0.055 0.000 1.175 179 N CA 0.091 53.101 53.050 -0.066 0.000 0.894 179 N CB -0.235 38.234 38.487 -0.029 0.000 1.041 179 N HN 0.053 nan 8.380 nan 0.000 0.506 180 L N 1.794 122.985 121.223 -0.054 0.000 2.466 180 L HA 0.439 4.780 4.340 0.000 0.000 0.257 180 L C -1.873 174.933 176.870 -0.107 0.000 1.189 180 L CA -1.630 53.173 54.840 -0.061 0.000 0.813 180 L CB -0.306 41.731 42.059 -0.035 0.000 1.118 180 L HN -0.067 nan 8.230 nan 0.000 0.471 181 P HA 0.006 nan 4.420 nan 0.000 0.271 181 P C -0.870 176.260 177.300 -0.284 0.000 1.233 181 P CA -0.045 62.939 63.100 -0.193 0.000 0.795 181 P CB 0.452 32.030 31.700 -0.203 0.000 0.936 182 S N 0.214 115.784 115.700 -0.217 0.000 2.509 182 S HA 0.458 4.929 4.470 0.000 0.000 0.297 182 S C -1.273 173.213 174.600 -0.189 0.000 1.118 182 S CA -0.475 57.631 58.200 -0.156 0.000 1.074 182 S CB -0.086 63.132 63.200 0.031 0.000 1.038 182 S HN 0.145 nan 8.310 nan 0.000 0.498 183 Y N 2.988 123.293 120.300 0.008 0.000 2.383 183 Y HA 0.387 4.937 4.550 0.000 0.000 0.344 183 Y C 1.099 176.889 175.900 -0.184 0.000 0.986 183 Y CA -0.651 57.428 58.100 -0.036 0.000 1.175 183 Y CB 0.569 39.011 38.460 -0.031 0.000 1.152 183 Y HN 0.422 nan 8.280 nan 0.000 0.511 184 R N 4.497 124.928 120.500 -0.115 0.000 2.413 184 R HA 0.062 4.402 4.340 0.000 0.000 0.333 184 R C 0.512 176.532 176.300 -0.465 0.000 1.074 184 R CA 0.183 55.897 56.100 -0.643 0.000 0.982 184 R CB 0.174 29.926 30.300 -0.914 0.000 0.981 184 R HN 0.781 nan 8.270 nan 0.000 0.452 185 I N 1.020 121.251 120.570 -0.565 0.000 2.617 185 I HA -0.079 4.091 4.170 0.000 0.000 0.256 185 I C 1.281 177.174 176.117 -0.373 0.000 1.167 185 I CA 1.110 62.179 61.300 -0.384 0.000 1.469 185 I CB -0.421 37.302 38.000 -0.461 0.000 1.098 185 I HN 0.345 nan 8.210 nan 0.000 0.436 186 T N -1.664 112.551 114.554 -0.566 0.000 2.916 186 T HA 0.362 4.712 4.350 0.000 0.000 0.305 186 T C -1.335 173.090 174.700 -0.459 0.000 1.119 186 T CA -0.400 61.480 62.100 -0.366 0.000 1.008 186 T CB 1.109 69.731 68.868 -0.411 0.000 1.129 186 T HN 0.124 nan 8.240 nan 0.000 0.480 187 W N 1.472 122.663 121.300 -0.181 0.000 2.714 187 W HA 0.234 4.894 4.660 0.000 0.000 0.353 187 W C 1.924 178.394 176.519 -0.082 0.000 0.999 187 W CA 0.030 57.308 57.345 -0.112 0.000 1.629 187 W CB 0.089 29.502 29.460 -0.078 0.000 1.106 187 W HN 0.797 nan 8.180 nan 0.000 0.545 188 T N -2.589 112.014 114.554 0.083 0.000 3.107 188 T HA 0.271 4.621 4.350 0.000 0.000 0.249 188 T C 1.196 175.897 174.700 0.001 0.000 1.096 188 T CA 0.157 62.285 62.100 0.046 0.000 1.012 188 T CB -0.156 68.731 68.868 0.032 0.000 0.977 188 T HN 0.013 nan 8.240 nan 0.000 0.527 189 G N 1.377 110.153 108.800 -0.039 0.000 2.272 189 G HA2 0.364 4.324 3.960 0.000 0.000 0.247 189 G HA3 0.364 4.324 3.960 0.000 0.000 0.247 189 G C -0.609 174.235 174.900 -0.093 0.000 1.272 189 G CA -0.437 44.614 45.100 -0.081 0.000 0.921 189 G HN 0.554 nan 8.290 nan 0.000 0.495 190 K N 2.281 122.604 120.400 -0.129 0.000 2.581 190 K HA 0.188 4.508 4.320 0.000 0.000 0.249 190 K C -0.041 176.440 176.600 -0.199 0.000 0.966 190 K CA -0.677 55.532 56.287 -0.129 0.000 0.811 190 K CB 1.527 33.986 32.500 -0.068 0.000 1.223 190 K HN 0.590 nan 8.250 nan 0.000 0.438 191 E N 3.161 123.246 120.200 -0.192 0.000 2.900 191 E HA -0.192 4.158 4.350 0.000 0.000 0.259 191 E C -0.498 176.006 176.600 -0.160 0.000 0.918 191 E CA 1.155 57.437 56.400 -0.197 0.000 0.960 191 E CB 0.226 29.847 29.700 -0.131 0.000 0.908 191 E HN 0.678 nan 8.360 nan 0.000 0.511 192 D N 2.316 122.604 120.400 -0.187 0.000 3.067 192 D HA -0.251 4.389 4.640 0.000 0.000 0.216 192 D C 0.631 176.976 176.300 0.074 0.000 1.162 192 D CA 1.275 55.292 54.000 0.028 0.000 0.960 192 D CB -0.384 40.466 40.800 0.083 0.000 1.129 192 D HN 0.396 nan 8.370 nan 0.000 0.408 193 I N -0.675 119.855 120.570 -0.066 0.000 3.534 193 I HA 0.204 4.374 4.170 0.000 0.000 0.251 193 I C 1.116 177.297 176.117 0.106 0.000 1.136 193 I CA 0.455 61.788 61.300 0.055 0.000 1.475 193 I CB 0.075 38.084 38.000 0.016 0.000 1.526 193 I HN -0.125 nan 8.210 nan 0.000 0.454 194 I N 0.844 121.386 120.570 -0.047 0.000 2.436 194 I HA 0.258 4.429 4.170 0.000 0.000 0.289 194 I C -1.475 174.606 176.117 -0.061 0.000 1.010 194 I CA -0.625 60.714 61.300 0.066 0.000 1.098 194 I CB 1.912 39.941 38.000 0.049 0.000 1.266 194 I HN -0.030 nan 8.210 nan 0.000 0.434 195 Y N 4.669 125.049 120.300 0.133 0.000 2.328 195 Y HA 0.410 4.960 4.550 0.000 0.000 0.333 195 Y C -0.020 175.927 175.900 0.079 0.000 0.958 195 Y CA -1.067 57.116 58.100 0.138 0.000 1.167 195 Y CB 0.913 39.529 38.460 0.261 0.000 1.151 195 Y HN 0.419 nan 8.280 nan 0.000 0.470 196 N N 2.087 120.855 118.700 0.113 0.000 2.446 196 N HA 0.387 5.127 4.740 0.000 0.000 0.265 196 N C 0.858 176.341 175.510 -0.046 0.000 0.975 196 N CA 0.461 53.523 53.050 0.020 0.000 0.928 196 N CB 1.886 40.308 38.487 -0.108 0.000 1.160 196 N HN 0.967 nan 8.380 nan 0.000 0.495 197 G N 1.514 110.294 108.800 -0.034 0.000 2.225 197 G HA2 -0.249 3.712 3.960 0.000 0.000 0.254 197 G HA3 -0.249 3.712 3.960 0.000 0.000 0.254 197 G C 0.111 174.897 174.900 -0.189 0.000 0.988 197 G CA 0.628 45.645 45.100 -0.138 0.000 0.625 197 G HN 0.640 nan 8.290 nan 0.000 0.527 198 I N -1.502 119.022 120.570 -0.076 0.000 3.074 198 I HA 0.818 4.988 4.170 0.000 0.000 0.310 198 I C 0.353 176.542 176.117 0.120 0.000 1.153 198 I CA -0.681 60.478 61.300 -0.235 0.000 0.993 198 I CB 1.913 39.661 38.000 -0.418 0.000 1.237 198 I HN 0.194 nan 8.210 nan 0.000 0.443 199 T N -0.845 113.687 114.554 -0.038 0.000 2.902 199 T HA 0.430 4.780 4.350 0.000 0.000 0.280 199 T C -0.343 174.170 174.700 -0.312 0.000 0.992 199 T CA -0.622 61.351 62.100 -0.212 0.000 1.015 199 T CB 1.325 70.067 68.868 -0.212 0.000 1.044 199 T HN 0.779 nan 8.240 nan 0.000 0.520 200 D N -0.382 119.582 120.400 -0.726 0.000 2.432 200 D HA 0.080 4.720 4.640 0.000 0.000 0.258 200 D C 0.937 177.123 176.300 -0.189 0.000 1.146 200 D CA -1.208 52.369 54.000 -0.705 0.000 1.015 200 D CB 0.242 40.547 40.800 -0.825 0.000 1.107 200 D HN 0.725 nan 8.370 nan 0.000 0.529 201 W N 0.941 122.166 121.300 -0.125 0.000 2.290 201 W HA -0.291 4.369 4.660 0.000 0.000 0.323 201 W C 2.037 178.408 176.519 -0.247 0.000 1.260 201 W CA 2.839 60.099 57.345 -0.142 0.000 1.266 201 W CB -0.462 28.845 29.460 -0.255 0.000 1.149 201 W HN 0.232 nan 8.180 nan 0.000 0.482 202 V N -0.367 119.530 119.914 -0.029 0.000 2.548 202 V HA -0.270 3.850 4.120 0.000 0.000 0.249 202 V C 1.892 177.719 176.094 -0.444 0.000 1.055 202 V CA 1.994 64.150 62.300 -0.241 0.000 1.065 202 V CB -0.759 30.994 31.823 -0.116 0.000 0.681 202 V HN 0.298 nan 8.190 nan 0.000 0.462 203 Y N 0.816 120.795 120.300 -0.534 0.000 2.242 203 Y HA -0.172 4.378 4.550 0.000 0.000 0.291 203 Y C 2.574 178.171 175.900 -0.505 0.000 1.137 203 Y CA 2.163 59.854 58.100 -0.683 0.000 1.181 203 Y CB -0.109 37.647 38.460 -1.174 0.000 0.989 203 Y HN 0.414 nan 8.280 nan 0.000 0.527 204 E N 0.077 120.109 120.200 -0.279 0.000 2.051 204 E HA -0.284 4.066 4.350 0.000 0.000 0.192 204 E C 2.009 178.520 176.600 -0.148 0.000 0.991 204 E CA 1.587 57.918 56.400 -0.115 0.000 0.799 204 E CB -0.003 29.681 29.700 -0.027 0.000 0.748 204 E HN 0.387 nan 8.360 nan 0.000 0.449 205 E N 0.044 119.965 120.200 -0.465 0.000 2.060 205 E HA -0.136 4.214 4.350 0.000 0.000 0.189 205 E C 1.819 178.265 176.600 -0.256 0.000 0.974 205 E CA 1.353 57.483 56.400 -0.450 0.000 0.808 205 E CB 0.136 29.232 29.700 -1.007 0.000 0.768 205 E HN 0.205 nan 8.360 nan 0.000 0.453 206 E N -0.234 119.777 120.200 -0.314 0.000 2.099 206 E HA -0.000 4.350 4.350 0.000 0.000 0.191 206 E C 2.098 178.576 176.600 -0.204 0.000 0.962 206 E CA 1.008 57.291 56.400 -0.195 0.000 0.826 206 E CB -0.434 29.139 29.700 -0.212 0.000 0.788 206 E HN 0.256 nan 8.360 nan 0.000 0.461 207 V N -0.158 119.545 119.914 -0.352 0.000 2.492 207 V HA -0.028 4.092 4.120 0.000 0.000 0.241 207 V C 1.625 177.805 176.094 0.143 0.000 1.041 207 V CA 0.943 63.085 62.300 -0.263 0.000 1.057 207 V CB -0.161 31.268 31.823 -0.657 0.000 0.711 207 V HN 0.004 nan 8.190 nan 0.000 0.468 208 F N 0.846 120.756 119.950 -0.068 0.000 2.446 208 F HA 0.348 4.875 4.527 0.000 0.000 0.292 208 F C 1.962 177.750 175.800 -0.020 0.000 1.096 208 F CA 0.783 58.798 58.000 0.025 0.000 1.438 208 F CB -0.756 38.313 39.000 0.115 0.000 1.107 208 F HN 0.363 nan 8.300 nan 0.000 0.546 209 S N -0.348 115.440 115.700 0.146 0.000 3.635 209 S HA -0.005 4.465 4.470 0.000 0.000 0.328 209 S C -0.172 174.286 174.600 -0.236 0.000 1.135 209 S CA 0.383 58.621 58.200 0.064 0.000 0.942 209 S CB -1.550 61.690 63.200 0.066 0.000 0.930 209 S HN 0.812 nan 8.310 nan 0.000 0.512 210 A N -0.178 122.575 122.820 -0.112 0.000 2.601 210 A HA 0.665 4.985 4.320 0.000 0.000 0.291 210 A C -0.386 177.229 177.584 0.053 0.000 1.075 210 A CA 0.039 51.930 52.037 -0.244 0.000 0.671 210 A CB 0.032 18.954 19.000 -0.130 0.000 1.277 210 A HN 0.958 nan 8.150 nan 0.000 0.417 211 Y N 1.296 121.490 120.300 -0.176 0.000 2.347 211 Y HA 0.231 4.781 4.550 0.000 0.000 0.294 211 Y C 1.530 177.219 175.900 -0.352 0.000 1.117 211 Y CA 1.215 59.200 58.100 -0.191 0.000 1.184 211 Y CB -0.051 38.292 38.460 -0.195 0.000 1.047 211 Y HN 0.680 nan 8.280 nan 0.000 0.546 212 S N 0.476 115.707 115.700 -0.780 0.000 2.549 212 S HA 0.406 4.876 4.470 0.000 0.000 0.286 212 S C 0.466 174.744 174.600 -0.538 0.000 1.314 212 S CA 0.174 57.738 58.200 -1.060 0.000 1.062 212 S CB 0.544 62.939 63.200 -1.342 0.000 0.865 212 S HN 0.471 nan 8.310 nan 0.000 0.498 213 A N 4.197 126.678 122.820 -0.564 0.000 2.643 213 A HA 0.506 4.827 4.320 0.000 0.000 0.295 213 A C -0.650 176.299 177.584 -1.059 0.000 1.065 213 A CA -0.569 51.186 52.037 -0.469 0.000 0.986 213 A CB -0.383 18.680 19.000 0.106 0.000 1.212 213 A HN 0.835 nan 8.150 nan 0.000 0.516 214 L N -4.846 115.607 121.223 -1.284 0.000 2.422 214 L HA 0.891 5.231 4.340 0.000 0.000 0.264 214 L C -1.347 174.985 176.870 -0.897 0.000 0.984 214 L CA -1.279 53.019 54.840 -0.904 0.000 0.819 214 L CB 1.004 42.829 42.059 -0.389 0.000 1.330 214 L HN 0.201 nan 8.230 nan 0.000 0.410 215 W N 1.622 123.002 121.300 0.132 0.000 2.756 215 W HA 0.344 5.004 4.660 0.000 0.000 0.333 215 W C -1.528 175.204 176.519 0.354 0.000 1.025 215 W CA -0.750 56.764 57.345 0.282 0.000 1.246 215 W CB 1.365 31.036 29.460 0.352 0.000 1.358 215 W HN 0.612 nan 8.180 nan 0.000 0.444 216 W N 2.198 123.714 121.300 0.360 0.000 2.184 216 W HA 0.265 4.925 4.660 0.000 0.000 0.338 216 W C 1.259 177.630 176.519 -0.246 0.000 1.257 216 W CA 0.304 57.723 57.345 0.122 0.000 1.243 216 W CB 0.715 30.216 29.460 0.068 0.000 1.122 216 W HN 0.177 nan 8.180 nan 0.000 0.585 217 S N 1.645 117.114 115.700 -0.384 0.000 2.614 217 S HA 0.218 4.688 4.470 0.000 0.000 0.265 217 S C -1.829 172.519 174.600 -0.420 0.000 1.303 217 S CA -1.020 56.403 58.200 -1.296 0.000 1.000 217 S CB 1.001 63.518 63.200 -1.138 0.000 0.935 217 S HN 0.269 nan 8.310 nan 0.000 0.551 218 P HA -0.167 nan 4.420 nan 0.000 0.216 218 P C 0.765 178.034 177.300 -0.052 0.000 1.154 218 P CA 1.708 64.771 63.100 -0.062 0.000 0.865 218 P CB -0.219 31.492 31.700 0.019 0.000 0.789 219 N N -2.409 116.248 118.700 -0.071 0.000 2.230 219 N HA 0.165 4.905 4.740 0.000 0.000 0.202 219 N C 1.067 176.513 175.510 -0.108 0.000 1.119 219 N CA 0.447 53.455 53.050 -0.071 0.000 0.851 219 N CB -0.612 37.848 38.487 -0.045 0.000 0.990 219 N HN 0.174 nan 8.380 nan 0.000 0.497 220 G N -1.075 107.668 108.800 -0.096 0.000 2.176 220 G HA2 -0.340 3.620 3.960 0.000 0.000 0.253 220 G HA3 -0.340 3.620 3.960 0.000 0.000 0.253 220 G C 0.988 175.926 174.900 0.063 0.000 0.979 220 G CA 0.726 45.784 45.100 -0.070 0.000 0.641 220 G HN 0.364 nan 8.290 nan 0.000 0.530 221 T N 0.015 114.526 114.554 -0.072 0.000 2.737 221 T HA 0.214 4.564 4.350 0.000 0.000 0.265 221 T C 0.823 175.367 174.700 -0.261 0.000 1.038 221 T CA 1.316 63.269 62.100 -0.245 0.000 1.144 221 T CB -0.096 68.472 68.868 -0.499 0.000 0.866 221 T HN 0.281 nan 8.240 nan 0.000 0.434 222 F N 0.258 120.238 119.950 0.050 0.000 2.432 222 F HA 0.636 5.163 4.527 0.000 0.000 0.329 222 F C -0.221 175.637 175.800 0.095 0.000 1.076 222 F CA -1.695 56.357 58.000 0.087 0.000 1.018 222 F CB 1.143 40.233 39.000 0.150 0.000 1.201 222 F HN -0.115 nan 8.300 nan 0.000 0.489 223 L N 2.641 124.019 121.223 0.259 0.000 2.372 223 L HA 0.783 5.123 4.340 0.000 0.000 0.273 223 L C -0.674 176.294 176.870 0.163 0.000 0.989 223 L CA -0.583 54.233 54.840 -0.039 0.000 0.841 223 L CB 0.749 42.498 42.059 -0.517 0.000 1.225 223 L HN 0.659 nan 8.230 nan 0.000 0.414 224 A N 4.655 127.664 122.820 0.315 0.000 2.304 224 A HA 0.785 5.105 4.320 0.000 0.000 0.301 224 A C -1.330 176.380 177.584 0.210 0.000 1.132 224 A CA -0.185 51.946 52.037 0.157 0.000 0.819 224 A CB 0.547 19.770 19.000 0.371 0.000 1.094 224 A HN 0.914 nan 8.150 nan 0.000 0.492 225 Y N -1.854 118.279 120.300 -0.278 0.000 2.656 225 Y HA 0.754 5.304 4.550 0.000 0.000 0.334 225 Y C -0.458 175.380 175.900 -0.103 0.000 1.179 225 Y CA -0.892 57.137 58.100 -0.119 0.000 1.050 225 Y CB 0.794 39.131 38.460 -0.205 0.000 1.308 225 Y HN 0.987 nan 8.280 nan 0.000 0.456 226 A N 1.862 124.782 122.820 0.167 0.000 2.354 226 A HA 0.726 5.046 4.320 0.000 0.000 0.321 226 A C -1.420 176.046 177.584 -0.196 0.000 1.125 226 A CA -0.895 51.136 52.037 -0.010 0.000 0.799 226 A CB 2.004 21.054 19.000 0.083 0.000 1.293 226 A HN 0.815 nan 8.150 nan 0.000 0.452 227 Q N 0.919 120.528 119.800 -0.318 0.000 2.321 227 Q HA 0.586 4.927 4.340 0.000 0.000 0.270 227 Q C -2.102 173.639 176.000 -0.432 0.000 1.032 227 Q CA -0.395 55.280 55.803 -0.214 0.000 0.784 227 Q CB 1.105 29.958 28.738 0.191 0.000 1.264 227 Q HN 0.581 nan 8.270 nan 0.000 0.448 228 F N 2.591 122.605 119.950 0.106 0.000 2.411 228 F HA 0.373 4.900 4.527 0.000 0.000 0.352 228 F C 0.456 176.365 175.800 0.182 0.000 1.123 228 F CA -0.951 57.073 58.000 0.040 0.000 1.044 228 F CB 1.189 40.108 39.000 -0.135 0.000 1.135 228 F HN 0.402 nan 8.300 nan 0.000 0.461 229 N N 2.510 121.387 118.700 0.295 0.000 2.469 229 N HA 0.185 4.925 4.740 0.000 0.000 0.253 229 N C -0.760 174.890 175.510 0.233 0.000 0.970 229 N CA -0.196 52.998 53.050 0.240 0.000 0.940 229 N CB 0.986 39.570 38.487 0.161 0.000 1.128 229 N HN 0.566 nan 8.380 nan 0.000 0.503 230 D N 1.535 122.097 120.400 0.270 0.000 2.424 230 D HA 0.126 4.766 4.640 0.000 0.000 0.220 230 D C 1.216 177.617 176.300 0.168 0.000 1.150 230 D CA 0.067 54.203 54.000 0.227 0.000 0.831 230 D CB 0.556 41.542 40.800 0.309 0.000 0.981 230 D HN 0.455 nan 8.370 nan 0.000 0.500 231 T N 0.469 115.106 114.554 0.137 0.000 2.649 231 T HA -0.227 4.124 4.350 0.000 0.000 0.268 231 T C 1.286 176.034 174.700 0.081 0.000 1.036 231 T CA 1.377 63.535 62.100 0.097 0.000 1.157 231 T CB -0.041 68.874 68.868 0.079 0.000 0.861 231 T HN 0.353 nan 8.240 nan 0.000 0.445 232 E N 0.267 120.516 120.200 0.080 0.000 2.501 232 E HA 0.177 4.527 4.350 0.000 0.000 0.201 232 E C -0.409 176.233 176.600 0.071 0.000 1.016 232 E CA -0.181 56.258 56.400 0.065 0.000 0.920 232 E CB 0.634 30.366 29.700 0.054 0.000 1.023 232 E HN 0.222 nan 8.360 nan 0.000 0.474 233 V N 3.932 123.900 119.914 0.090 0.000 2.470 233 V HA 0.084 4.204 4.120 0.000 0.000 0.276 233 V C -2.009 174.136 176.094 0.086 0.000 1.040 233 V CA -1.403 60.954 62.300 0.095 0.000 1.008 233 V CB 0.199 32.093 31.823 0.117 0.000 0.990 233 V HN 0.018 nan 8.190 nan 0.000 0.477 234 P HA 0.104 nan 4.420 nan 0.000 0.269 234 P C -0.583 176.748 177.300 0.052 0.000 1.211 234 P CA 0.084 63.217 63.100 0.054 0.000 0.781 234 P CB 0.463 32.194 31.700 0.052 0.000 0.877 235 L N 2.214 123.446 121.223 0.016 0.000 2.325 235 L HA 0.483 4.823 4.340 0.000 0.000 0.278 235 L C 0.197 177.018 176.870 -0.081 0.000 1.023 235 L CA -0.981 53.852 54.840 -0.012 0.000 0.811 235 L CB 1.279 43.328 42.059 -0.015 0.000 1.249 235 L HN 0.285 nan 8.230 nan 0.000 0.431 236 I N 2.293 122.772 120.570 -0.151 0.000 2.353 236 I HA 0.286 4.456 4.170 0.000 0.000 0.293 236 I C -0.492 175.485 176.117 -0.234 0.000 0.992 236 I CA 0.175 61.294 61.300 -0.303 0.000 1.268 236 I CB 1.003 38.604 38.000 -0.666 0.000 1.387 236 I HN 0.557 nan 8.210 nan 0.000 0.478 237 E N 7.473 127.555 120.200 -0.195 0.000 2.210 237 E HA 0.526 4.876 4.350 0.000 0.000 0.266 237 E C -1.744 174.800 176.600 -0.093 0.000 0.883 237 E CA -0.593 55.696 56.400 -0.185 0.000 0.761 237 E CB 1.986 31.599 29.700 -0.145 0.000 1.156 237 E HN 0.585 nan 8.360 nan 0.000 0.412 238 Y N -1.621 118.584 120.300 -0.158 0.000 2.625 238 Y HA 0.615 5.165 4.550 0.000 0.000 0.338 238 Y C -0.724 175.102 175.900 -0.123 0.000 1.123 238 Y CA -1.292 56.724 58.100 -0.140 0.000 1.046 238 Y CB 0.987 39.370 38.460 -0.129 0.000 1.299 238 Y HN 0.206 nan 8.280 nan 0.000 0.464 239 S N 1.684 117.379 115.700 -0.009 0.000 2.554 239 S HA 0.535 5.006 4.470 0.000 0.000 0.278 239 S C -1.524 172.932 174.600 -0.240 0.000 1.242 239 S CA -0.470 57.585 58.200 -0.242 0.000 1.051 239 S CB 0.638 63.566 63.200 -0.455 0.000 0.986 239 S HN 0.535 nan 8.310 nan 0.000 0.502 240 F N 2.233 121.934 119.950 -0.415 0.000 2.493 240 F HA 0.449 4.976 4.527 0.000 0.000 0.329 240 F C -0.291 175.279 175.800 -0.383 0.000 1.126 240 F CA -0.876 56.975 58.000 -0.249 0.000 0.937 240 F CB 0.867 39.829 39.000 -0.063 0.000 1.146 240 F HN 0.657 nan 8.300 nan 0.000 0.442 241 Y N 2.723 122.792 120.300 -0.384 0.000 2.476 241 Y HA 0.147 4.697 4.550 0.000 0.000 0.283 241 Y C 1.636 177.458 175.900 -0.129 0.000 1.109 241 Y CA 0.957 58.938 58.100 -0.198 0.000 1.246 241 Y CB -0.584 37.756 38.460 -0.200 0.000 1.068 241 Y HN 0.728 nan 8.280 nan 0.000 0.552 242 S N -0.020 115.582 115.700 -0.163 0.000 3.460 242 S HA -0.220 4.250 4.470 0.000 0.000 0.637 242 S C -0.541 174.108 174.600 0.081 0.000 2.505 242 S CA 0.186 58.463 58.200 0.128 0.000 2.686 242 S CB -1.053 62.327 63.200 0.299 0.000 0.330 242 S HN 0.464 nan 8.310 nan 0.000 1.795 243 D N 1.574 122.039 120.400 0.108 0.000 2.443 243 D HA 0.102 4.742 4.640 0.000 0.000 0.234 243 D C 1.439 177.770 176.300 0.052 0.000 1.172 243 D CA 0.589 54.631 54.000 0.068 0.000 0.878 243 D CB 0.117 40.958 40.800 0.068 0.000 1.204 243 D HN 0.628 nan 8.370 nan 0.000 0.453 244 E N 0.813 121.031 120.200 0.029 0.000 2.136 244 E HA -0.288 4.062 4.350 0.000 0.000 0.202 244 E C 1.702 178.315 176.600 0.022 0.000 1.019 244 E CA 1.790 58.199 56.400 0.015 0.000 0.819 244 E CB 0.080 29.781 29.700 0.002 0.000 0.739 244 E HN 0.493 nan 8.360 nan 0.000 0.458 245 S N 0.285 116.002 115.700 0.030 0.000 2.419 245 S HA -0.154 4.316 4.470 0.000 0.000 0.235 245 S C 1.212 175.838 174.600 0.044 0.000 1.019 245 S CA 0.320 58.539 58.200 0.032 0.000 0.982 245 S CB -0.395 62.826 63.200 0.034 0.000 0.789 245 S HN 0.284 nan 8.310 nan 0.000 0.490 246 L N 2.276 123.535 121.223 0.060 0.000 2.500 246 L HA 0.086 4.426 4.340 0.000 0.000 0.272 246 L C 1.733 178.644 176.870 0.069 0.000 1.149 246 L CA 0.060 54.948 54.840 0.080 0.000 0.897 246 L CB 0.743 42.863 42.059 0.103 0.000 1.178 246 L HN 0.480 nan 8.230 nan 0.000 0.473 247 Q N 3.918 123.768 119.800 0.083 0.000 2.046 247 Q HA -0.123 4.217 4.340 0.000 0.000 0.200 247 Q C -0.517 175.449 176.000 -0.057 0.000 0.975 247 Q CA 1.449 57.262 55.803 0.017 0.000 0.836 247 Q CB 0.187 28.967 28.738 0.070 0.000 0.896 247 Q HN 0.560 nan 8.270 nan 0.000 0.428 248 Y N 0.405 120.716 120.300 0.019 0.000 2.360 248 Y HA 0.377 4.927 4.550 0.000 0.000 0.337 248 Y C -2.021 173.886 175.900 0.011 0.000 1.039 248 Y CA -2.935 55.173 58.100 0.013 0.000 1.109 248 Y CB 1.165 39.624 38.460 -0.002 0.000 1.201 248 Y HN 0.148 nan 8.280 nan 0.000 0.458 249 P HA 0.150 nan 4.420 nan 0.000 0.272 249 P C -1.107 176.202 177.300 0.015 0.000 1.223 249 P CA -0.654 62.459 63.100 0.022 0.000 0.784 249 P CB 0.595 32.243 31.700 -0.088 0.000 0.923 250 K N -0.224 120.169 120.400 -0.012 0.000 2.166 250 K HA 0.645 4.966 4.320 0.000 0.000 0.245 250 K C -0.882 175.670 176.600 -0.080 0.000 0.967 250 K CA -0.713 55.563 56.287 -0.019 0.000 0.863 250 K CB 0.820 33.326 32.500 0.010 0.000 1.107 250 K HN 0.155 nan 8.250 nan 0.000 0.436 251 T N 1.651 116.142 114.554 -0.105 0.000 2.756 251 T HA 0.215 4.566 4.350 0.000 0.000 0.290 251 T C -0.379 174.189 174.700 -0.221 0.000 0.985 251 T CA -0.701 61.300 62.100 -0.166 0.000 0.955 251 T CB 1.057 69.842 68.868 -0.139 0.000 0.930 251 T HN 0.357 nan 8.240 nan 0.000 0.451 252 V N 6.250 125.936 119.914 -0.380 0.000 2.530 252 V HA 0.465 4.585 4.120 0.000 0.000 0.282 252 V C 0.444 176.263 176.094 -0.459 0.000 1.048 252 V CA -0.489 61.537 62.300 -0.457 0.000 0.997 252 V CB 0.404 31.778 31.823 -0.748 0.000 0.987 252 V HN 0.775 nan 8.190 nan 0.000 0.477 253 R N 4.503 124.865 120.500 -0.230 0.000 2.514 253 R HA 0.781 5.121 4.340 0.000 0.000 0.296 253 R C -1.766 174.515 176.300 -0.032 0.000 1.012 253 R CA -0.591 55.415 56.100 -0.156 0.000 0.897 253 R CB 1.718 31.950 30.300 -0.113 0.000 1.184 253 R HN 0.470 nan 8.270 nan 0.000 0.440 254 V N 2.301 122.207 119.914 -0.015 0.000 2.709 254 V HA 0.541 4.662 4.120 0.000 0.000 0.308 254 V C -2.754 173.389 176.094 0.081 0.000 1.062 254 V CA -2.428 59.931 62.300 0.100 0.000 0.901 254 V CB 2.676 34.597 31.823 0.163 0.000 1.003 254 V HN 0.632 nan 8.190 nan 0.000 0.425 255 P HA 0.203 nan 4.420 nan 0.000 0.266 255 P C -1.761 175.639 177.300 0.167 0.000 1.215 255 P CA 0.585 63.779 63.100 0.157 0.000 0.763 255 P CB -0.252 31.575 31.700 0.211 0.000 0.806 256 Y N 6.468 126.740 120.300 -0.047 0.000 2.317 256 Y HA 0.336 4.886 4.550 0.000 0.000 0.329 256 Y C -2.759 173.109 175.900 -0.053 0.000 1.101 256 Y CA -3.125 54.904 58.100 -0.118 0.000 1.228 256 Y CB 1.420 39.664 38.460 -0.359 0.000 1.123 256 Y HN 0.283 nan 8.280 nan 0.000 0.457 257 P HA 0.181 nan 4.420 nan 0.000 0.276 257 P C -0.818 176.606 177.300 0.207 0.000 1.253 257 P CA 0.035 63.224 63.100 0.149 0.000 0.766 257 P CB 1.395 33.145 31.700 0.083 0.000 0.845 258 K N 2.065 122.610 120.400 0.242 0.000 2.090 258 K HA 0.513 4.833 4.320 0.000 0.000 0.249 258 K C 0.414 177.122 176.600 0.180 0.000 0.995 258 K CA -0.815 55.620 56.287 0.246 0.000 0.914 258 K CB 0.809 33.433 32.500 0.206 0.000 1.057 258 K HN 0.473 nan 8.250 nan 0.000 0.462 259 A N 0.814 123.764 122.820 0.216 0.000 2.591 259 A HA 0.194 4.514 4.320 0.000 0.000 0.244 259 A C 1.220 178.849 177.584 0.075 0.000 1.031 259 A CA 1.248 53.398 52.037 0.189 0.000 0.767 259 A CB -1.267 17.912 19.000 0.297 0.000 0.942 259 A HN 0.940 nan 8.150 nan 0.000 0.514 260 G N 1.029 109.864 108.800 0.059 0.000 2.212 260 G HA2 0.070 4.030 3.960 0.000 0.000 0.266 260 G HA3 0.070 4.030 3.960 0.000 0.000 0.266 260 G C 0.808 175.726 174.900 0.030 0.000 0.978 260 G CA 1.011 46.119 45.100 0.014 0.000 0.632 260 G HN 2.237 nan 8.290 nan 0.000 0.537 261 A N -0.545 122.309 122.820 0.058 0.000 2.256 261 A HA 0.685 5.005 4.320 0.000 0.000 0.276 261 A C 0.804 178.421 177.584 0.056 0.000 1.259 261 A CA 0.537 52.610 52.037 0.059 0.000 0.813 261 A CB 0.379 19.429 19.000 0.084 0.000 1.200 261 A HN 1.123 nan 8.150 nan 0.000 0.506 262 V N 2.195 122.143 119.914 0.056 0.000 2.432 262 V HA 0.129 4.249 4.120 0.000 0.000 0.271 262 V C 0.109 176.245 176.094 0.068 0.000 1.046 262 V CA -0.505 61.826 62.300 0.052 0.000 0.945 262 V CB 0.331 32.183 31.823 0.048 0.000 0.992 262 V HN 0.759 nan 8.190 nan 0.000 0.471 263 N N 6.398 125.136 118.700 0.064 0.000 2.463 263 N HA 0.432 5.172 4.740 0.000 0.000 0.270 263 N C -2.357 173.214 175.510 0.101 0.000 1.205 263 N CA -1.367 51.737 53.050 0.091 0.000 0.974 263 N CB 1.096 39.634 38.487 0.086 0.000 1.197 263 N HN 0.395 nan 8.380 nan 0.000 0.504 264 P HA 0.106 nan 4.420 nan 0.000 0.278 264 P C -0.457 176.943 177.300 0.166 0.000 1.238 264 P CA -0.210 62.989 63.100 0.165 0.000 0.794 264 P CB 0.498 32.304 31.700 0.176 0.000 0.955 265 T N -0.753 113.882 114.554 0.135 0.000 2.902 265 T HA 0.550 4.900 4.350 0.000 0.000 0.280 265 T C -0.050 174.735 174.700 0.142 0.000 0.992 265 T CA -0.729 61.420 62.100 0.083 0.000 1.015 265 T CB 1.390 70.292 68.868 0.057 0.000 1.044 265 T HN 0.349 nan 8.240 nan 0.000 0.520 266 V N 0.234 120.215 119.914 0.112 0.000 3.078 266 V HA 0.786 4.906 4.120 0.000 0.000 0.311 266 V C -1.537 174.619 176.094 0.104 0.000 1.138 266 V CA -0.939 61.410 62.300 0.080 0.000 1.007 266 V CB 2.250 34.144 31.823 0.118 0.000 1.045 266 V HN 1.074 nan 8.190 nan 0.000 0.432 267 K N 3.262 123.665 120.400 0.005 0.000 2.512 267 K HA 0.577 4.897 4.320 0.000 0.000 0.263 267 K C -2.067 174.442 176.600 -0.151 0.000 0.966 267 K CA -0.478 55.767 56.287 -0.070 0.000 0.851 267 K CB 2.758 35.178 32.500 -0.134 0.000 1.395 267 K HN 0.533 nan 8.250 nan 0.000 0.440 268 F N 2.108 121.741 119.950 -0.528 0.000 2.540 268 F HA 0.590 5.117 4.527 0.000 0.000 0.317 268 F C -1.562 173.713 175.800 -0.876 0.000 1.104 268 F CA -0.676 57.029 58.000 -0.491 0.000 0.913 268 F CB 0.892 39.755 39.000 -0.227 0.000 1.170 268 F HN 0.386 nan 8.300 nan 0.000 0.450 269 F N 3.810 123.048 119.950 -1.186 0.000 2.603 269 F HA 0.779 5.306 4.527 0.000 0.000 0.317 269 F C -0.988 174.184 175.800 -1.047 0.000 1.066 269 F CA -1.274 56.145 58.000 -0.968 0.000 0.941 269 F CB 2.021 40.424 39.000 -0.994 0.000 1.291 269 F HN 0.132 nan 8.300 nan 0.000 0.472 270 V N 2.319 122.029 119.914 -0.340 0.000 2.577 270 V HA 0.620 4.740 4.120 0.000 0.000 0.303 270 V C -1.170 175.000 176.094 0.126 0.000 1.042 270 V CA -0.784 61.386 62.300 -0.217 0.000 0.872 270 V CB 1.959 33.437 31.823 -0.575 0.000 0.998 270 V HN 0.622 nan 8.190 nan 0.000 0.423 271 V N 4.438 124.495 119.914 0.239 0.000 2.769 271 V HA 0.532 4.652 4.120 0.000 0.000 0.312 271 V C -0.214 176.081 176.094 0.336 0.000 1.061 271 V CA -0.678 61.781 62.300 0.264 0.000 0.931 271 V CB 2.157 34.081 31.823 0.168 0.000 1.010 271 V HN 1.005 nan 8.190 nan 0.000 0.433 272 N N 2.441 121.305 118.700 0.273 0.000 2.414 272 N HA 0.212 4.952 4.740 0.000 0.000 0.256 272 N C 0.859 176.372 175.510 0.005 0.000 1.029 272 N CA 0.233 53.352 53.050 0.115 0.000 0.948 272 N CB 1.232 39.753 38.487 0.057 0.000 1.102 272 N HN 0.847 nan 8.380 nan 0.000 0.496 273 T N -0.378 114.171 114.554 -0.008 0.000 3.169 273 T HA 0.106 4.456 4.350 0.000 0.000 0.250 273 T C 0.281 174.963 174.700 -0.031 0.000 1.111 273 T CA 0.190 62.296 62.100 0.010 0.000 1.010 273 T CB 0.157 69.135 68.868 0.184 0.000 0.984 273 T HN 0.424 nan 8.240 nan 0.000 0.537 274 D N 0.703 121.055 120.400 -0.081 0.000 2.417 274 D HA 0.146 4.786 4.640 0.000 0.000 0.207 274 D C 1.155 177.408 176.300 -0.078 0.000 1.075 274 D CA 0.177 54.132 54.000 -0.076 0.000 0.851 274 D CB 0.534 41.276 40.800 -0.097 0.000 0.976 274 D HN 0.417 nan 8.370 nan 0.000 0.505 275 S N 0.830 116.481 115.700 -0.083 0.000 2.561 275 S HA 0.215 4.686 4.470 0.000 0.000 0.245 275 S C 0.257 174.805 174.600 -0.086 0.000 1.001 275 S CA -0.571 57.595 58.200 -0.058 0.000 1.002 275 S CB -0.658 62.533 63.200 -0.015 0.000 0.805 275 S HN 0.187 nan 8.310 nan 0.000 0.458 276 L N 0.245 121.357 121.223 -0.185 0.000 2.317 276 L HA 0.740 5.080 4.340 0.000 0.000 0.281 276 L C 0.876 177.567 176.870 -0.298 0.000 1.024 276 L CA -0.827 53.843 54.840 -0.283 0.000 0.810 276 L CB 1.470 43.235 42.059 -0.490 0.000 1.240 276 L HN 0.171 nan 8.230 nan 0.000 0.427 277 S N 2.463 118.088 115.700 -0.126 0.000 2.320 277 S HA 0.133 4.603 4.470 0.000 0.000 0.180 277 S C 1.004 175.724 174.600 0.200 0.000 1.145 277 S CA 0.894 59.104 58.200 0.017 0.000 1.444 277 S CB -0.333 62.896 63.200 0.048 0.000 0.843 277 S HN 1.269 nan 8.310 nan 0.000 0.406 278 S N -2.072 113.771 115.700 0.238 0.000 3.395 278 S HA -0.009 4.461 4.470 0.000 0.000 0.110 278 S C 0.852 175.565 174.600 0.188 0.000 0.765 278 S CA 0.298 58.691 58.200 0.323 0.000 1.525 278 S CB -1.012 62.352 63.200 0.273 0.000 0.923 278 S HN 0.456 nan 8.310 nan 0.000 0.657 279 V N 2.364 122.359 119.914 0.134 0.000 2.690 279 V HA 0.286 4.406 4.120 0.000 0.000 0.240 279 V C 1.039 177.182 176.094 0.081 0.000 1.078 279 V CA 1.622 63.977 62.300 0.093 0.000 1.102 279 V CB -0.155 31.707 31.823 0.065 0.000 0.800 279 V HN 0.608 nan 8.190 nan 0.000 0.479 280 T N 1.876 116.474 114.554 0.072 0.000 2.856 280 T HA 0.287 4.637 4.350 0.000 0.000 0.292 280 T C -0.004 174.742 174.700 0.077 0.000 0.980 280 T CA -0.372 61.759 62.100 0.051 0.000 1.091 280 T CB 0.571 69.460 68.868 0.034 0.000 0.936 280 T HN 0.188 nan 8.240 nan 0.000 0.503 281 N N 1.531 120.271 118.700 0.067 0.000 2.453 281 N HA 0.330 5.070 4.740 0.000 0.000 0.253 281 N C 0.213 175.773 175.510 0.084 0.000 1.252 281 N CA -0.268 52.858 53.050 0.126 0.000 0.917 281 N CB 0.500 39.034 38.487 0.078 0.000 1.117 281 N HN 0.812 nan 8.380 nan 0.000 0.442 282 A N 0.880 123.755 122.820 0.092 0.000 2.498 282 A HA 0.207 4.527 4.320 0.000 0.000 0.239 282 A C 0.168 177.784 177.584 0.054 0.000 1.068 282 A CA 0.181 52.241 52.037 0.038 0.000 0.766 282 A CB -0.035 18.965 19.000 -0.001 0.000 1.003 282 A HN 0.524 nan 8.150 nan 0.000 0.497 283 T N 2.929 117.521 114.554 0.063 0.000 2.781 283 T HA 0.384 4.734 4.350 0.000 0.000 0.305 283 T C -0.009 174.768 174.700 0.128 0.000 1.001 283 T CA 0.028 62.181 62.100 0.087 0.000 0.950 283 T CB 0.308 69.233 68.868 0.094 0.000 0.955 283 T HN 0.550 nan 8.240 nan 0.000 0.471 284 S N 3.552 119.327 115.700 0.125 0.000 2.475 284 S HA 0.446 4.916 4.470 0.000 0.000 0.281 284 S C 0.130 174.873 174.600 0.239 0.000 1.198 284 S CA -0.713 57.593 58.200 0.178 0.000 1.063 284 S CB 0.330 63.613 63.200 0.137 0.000 0.972 284 S HN 0.452 nan 8.310 nan 0.000 0.486 285 I N 3.012 123.739 120.570 0.261 0.000 2.365 285 I HA 0.246 4.416 4.170 0.000 0.000 0.291 285 I C 0.509 176.742 176.117 0.193 0.000 1.004 285 I CA 0.007 61.470 61.300 0.272 0.000 1.311 285 I CB 1.044 39.278 38.000 0.391 0.000 1.401 285 I HN 0.580 nan 8.210 nan 0.000 0.491 286 Q N 6.006 125.899 119.800 0.154 0.000 2.243 286 Q HA 0.558 4.898 4.340 0.000 0.000 0.252 286 Q C -1.137 174.815 176.000 -0.080 0.000 0.909 286 Q CA -0.485 55.245 55.803 -0.121 0.000 0.922 286 Q CB 1.037 29.650 28.738 -0.209 0.000 1.215 286 Q HN 0.553 nan 8.270 nan 0.000 0.427 287 I N 3.908 124.411 120.570 -0.112 0.000 2.339 287 I HA 0.260 4.430 4.170 0.000 0.000 0.290 287 I C 0.612 176.713 176.117 -0.028 0.000 0.994 287 I CA -0.440 60.860 61.300 0.001 0.000 1.191 287 I CB 1.588 39.630 38.000 0.070 0.000 1.343 287 I HN 0.768 nan 8.210 nan 0.000 0.458 288 T N 3.047 117.549 114.554 -0.086 0.000 2.850 288 T HA 0.852 5.202 4.350 0.000 0.000 0.269 288 T C 0.647 175.139 174.700 -0.347 0.000 1.075 288 T CA 0.137 62.125 62.100 -0.186 0.000 0.987 288 T CB 1.062 69.831 68.868 -0.165 0.000 1.889 288 T HN 0.977 nan 8.240 nan 0.000 0.584 289 A N 0.812 123.366 122.820 -0.443 0.000 6.204 289 A HA -0.017 4.303 4.320 0.000 0.000 0.272 289 A C -2.494 174.475 177.584 -1.026 0.000 2.040 289 A CA 0.167 51.872 52.037 -0.554 0.000 0.717 289 A CB -2.828 15.972 19.000 -0.333 0.000 1.126 289 A HN 0.869 nan 8.150 nan 0.000 0.378 290 P HA 0.408 nan 4.420 nan 0.000 0.270 290 P C 0.967 178.042 177.300 -0.375 0.000 1.223 290 P CA 0.722 63.563 63.100 -0.431 0.000 0.785 290 P CB 0.488 32.016 31.700 -0.287 0.000 0.923 291 A N 1.675 124.354 122.820 -0.236 0.000 1.972 291 A HA -0.170 4.150 4.320 0.000 0.000 0.219 291 A C 2.087 179.568 177.584 -0.172 0.000 1.169 291 A CA 2.196 54.119 52.037 -0.190 0.000 0.635 291 A CB -1.770 17.154 19.000 -0.127 0.000 0.810 291 A HN 0.609 nan 8.150 nan 0.000 0.446 292 S N -1.578 114.042 115.700 -0.133 0.000 2.442 292 S HA -0.104 4.367 4.470 0.000 0.000 0.236 292 S C 1.752 176.279 174.600 -0.122 0.000 1.007 292 S CA 1.698 59.843 58.200 -0.091 0.000 0.965 292 S CB -0.297 62.919 63.200 0.027 0.000 0.773 292 S HN 0.388 nan 8.310 nan 0.000 0.504 293 M N 1.043 120.512 119.600 -0.219 0.000 2.429 293 M HA 0.432 4.912 4.480 0.000 0.000 0.265 293 M C 1.665 177.704 176.300 -0.435 0.000 1.120 293 M CA 0.961 56.072 55.300 -0.316 0.000 1.173 293 M CB -0.326 31.968 32.600 -0.509 0.000 1.343 293 M HN 0.238 nan 8.290 nan 0.000 0.464 294 L N 0.546 121.495 121.223 -0.456 0.000 2.450 294 L HA -0.145 4.195 4.340 0.000 0.000 0.224 294 L C 2.089 178.885 176.870 -0.123 0.000 1.149 294 L CA 0.588 55.245 54.840 -0.306 0.000 0.816 294 L CB -1.194 40.713 42.059 -0.255 0.000 0.932 294 L HN 0.439 nan 8.230 nan 0.000 0.449 295 I N -2.319 118.182 120.570 -0.115 0.000 2.286 295 I HA 0.026 4.196 4.170 0.000 0.000 0.248 295 I C 1.256 177.356 176.117 -0.028 0.000 1.115 295 I CA 1.111 62.370 61.300 -0.068 0.000 1.392 295 I CB -0.557 37.396 38.000 -0.079 0.000 1.065 295 I HN 0.095 nan 8.210 nan 0.000 0.418 296 G N 0.100 108.899 108.800 -0.001 0.000 3.021 296 G HA2 0.304 4.264 3.960 0.000 0.000 0.290 296 G HA3 0.304 4.264 3.960 0.000 0.000 0.290 296 G C -1.520 173.445 174.900 0.108 0.000 1.291 296 G CA -0.535 44.582 45.100 0.029 0.000 0.834 296 G HN 0.065 nan 8.290 nan 0.000 0.564 297 D N 0.944 121.363 120.400 0.031 0.000 2.400 297 D HA 0.344 4.985 4.640 0.000 0.000 0.238 297 D C 0.144 176.428 176.300 -0.026 0.000 1.157 297 D CA 0.799 54.767 54.000 -0.054 0.000 0.889 297 D CB 0.577 41.294 40.800 -0.139 0.000 1.199 297 D HN 0.574 nan 8.370 nan 0.000 0.436 298 H N -1.530 117.407 119.070 -0.222 0.000 2.902 298 H HA 0.387 4.944 4.556 0.000 0.000 0.297 298 H C -1.515 173.681 175.328 -0.219 0.000 1.406 298 H CA -0.782 55.148 56.048 -0.197 0.000 1.134 298 H CB 0.333 30.122 29.762 0.045 0.000 1.833 298 H HN 0.312 nan 8.280 nan 0.000 0.527 299 Y N 0.028 120.574 120.300 0.411 0.000 2.545 299 Y HA 0.410 4.960 4.550 0.000 0.000 0.348 299 Y C -0.429 175.741 175.900 0.449 0.000 1.002 299 Y CA -1.143 57.184 58.100 0.378 0.000 1.039 299 Y CB 2.081 40.623 38.460 0.136 0.000 1.271 299 Y HN 0.491 nan 8.280 nan 0.000 0.467 300 L N 2.079 123.623 121.223 0.535 0.000 2.255 300 L HA 0.428 4.768 4.340 0.000 0.000 0.289 300 L C -0.293 176.720 176.870 0.238 0.000 1.046 300 L CA 0.019 54.812 54.840 -0.077 0.000 0.816 300 L CB 0.229 42.186 42.059 -0.169 0.000 1.197 300 L HN 0.966 nan 8.230 nan 0.000 0.427 301 C N 2.521 121.817 119.300 -0.007 0.000 2.564 301 C HA 0.243 4.703 4.460 0.000 0.000 0.281 301 C C 0.775 175.732 174.990 -0.056 0.000 1.314 301 C CA -0.012 59.055 59.018 0.082 0.000 1.706 301 C CB -0.460 27.283 27.740 0.005 0.000 2.109 301 C HN 0.899 nan 8.230 nan 0.000 0.502 302 D N -0.529 119.667 120.400 -0.340 0.000 2.661 302 D HA 0.425 5.065 4.640 0.000 0.000 0.228 302 D C -1.715 174.136 176.300 -0.749 0.000 1.210 302 D CA -0.004 53.699 54.000 -0.496 0.000 0.826 302 D CB 2.536 43.133 40.800 -0.338 0.000 1.542 302 D HN 0.181 nan 8.370 nan 0.000 0.447 303 V N 0.612 119.966 119.914 -0.933 0.000 2.569 303 V HA 0.770 4.890 4.120 0.000 0.000 0.301 303 V C -1.478 174.132 176.094 -0.806 0.000 1.044 303 V CA -0.038 61.606 62.300 -1.094 0.000 0.874 303 V CB 1.593 32.413 31.823 -1.671 0.000 1.002 303 V HN 0.589 nan 8.190 nan 0.000 0.424 304 T N 5.615 119.796 114.554 -0.623 0.000 2.921 304 T HA 0.494 4.844 4.350 0.000 0.000 0.297 304 T C -1.232 173.213 174.700 -0.424 0.000 1.013 304 T CA -0.121 61.762 62.100 -0.363 0.000 0.990 304 T CB 1.360 70.110 68.868 -0.196 0.000 1.023 304 T HN 0.783 nan 8.240 nan 0.000 0.447 305 W N 2.196 123.389 121.300 -0.178 0.000 2.358 305 W HA 0.531 5.191 4.660 0.000 0.000 0.307 305 W C 1.130 177.487 176.519 -0.270 0.000 1.203 305 W CA -0.635 56.611 57.345 -0.164 0.000 1.279 305 W CB 0.582 30.046 29.460 0.008 0.000 1.264 305 W HN 0.928 nan 8.180 nan 0.000 0.474 306 A N 2.587 125.203 122.820 -0.341 0.000 1.874 306 A HA 0.079 4.399 4.320 0.000 0.000 0.214 306 A C 1.132 178.698 177.584 -0.031 0.000 1.189 306 A CA 1.896 53.586 52.037 -0.577 0.000 0.615 306 A CB -0.473 17.900 19.000 -1.045 0.000 0.830 306 A HN 0.526 nan 8.150 nan 0.000 0.443 307 T N -5.905 108.718 114.554 0.115 0.000 2.654 307 T HA 0.355 4.705 4.350 0.000 0.000 0.289 307 T C 0.164 175.054 174.700 0.318 0.000 1.062 307 T CA -0.385 61.833 62.100 0.197 0.000 1.041 307 T CB 0.686 69.654 68.868 0.167 0.000 1.417 307 T HN 0.015 nan 8.240 nan 0.000 0.510 308 Q N 0.137 120.091 119.800 0.256 0.000 2.364 308 Q HA 0.007 4.347 4.340 0.000 0.000 0.209 308 Q C 0.847 177.130 176.000 0.472 0.000 0.977 308 Q CA 1.449 57.417 55.803 0.275 0.000 0.885 308 Q CB -0.092 28.761 28.738 0.191 0.000 0.941 308 Q HN 0.819 nan 8.270 nan 0.000 0.464 309 E N -0.783 119.690 120.200 0.455 0.000 2.676 309 E HA 0.180 4.530 4.350 0.000 0.000 0.225 309 E C -0.111 176.753 176.600 0.440 0.000 0.944 309 E CA -0.158 56.518 56.400 0.460 0.000 1.156 309 E CB 1.162 31.035 29.700 0.288 0.000 1.117 309 E HN -0.050 nan 8.360 nan 0.000 0.523 310 R N 1.520 122.257 120.500 0.396 0.000 2.562 310 R HA 0.609 4.949 4.340 0.000 0.000 0.298 310 R C -1.451 174.860 176.300 0.018 0.000 0.961 310 R CA -0.518 55.703 56.100 0.201 0.000 0.881 310 R CB 1.461 31.795 30.300 0.057 0.000 1.159 310 R HN 0.049 nan 8.270 nan 0.000 0.450 311 I N 2.077 122.513 120.570 -0.223 0.000 2.686 311 I HA 0.344 4.514 4.170 0.000 0.000 0.295 311 I C -1.160 174.642 176.117 -0.526 0.000 1.114 311 I CA -0.414 60.486 61.300 -0.665 0.000 1.038 311 I CB 2.282 39.550 38.000 -1.220 0.000 1.238 311 I HN 0.760 nan 8.210 nan 0.000 0.420 312 S N 7.414 122.765 115.700 -0.582 0.000 2.473 312 S HA 0.771 5.241 4.470 0.000 0.000 0.307 312 S C -1.234 173.053 174.600 -0.522 0.000 1.094 312 S CA -0.701 57.252 58.200 -0.411 0.000 1.070 312 S CB 1.765 64.829 63.200 -0.227 0.000 1.019 312 S HN 0.430 nan 8.310 nan 0.000 0.480 313 L N 2.613 123.560 121.223 -0.460 0.000 2.356 313 L HA 0.528 4.868 4.340 0.000 0.000 0.277 313 L C -0.090 176.521 176.870 -0.433 0.000 0.996 313 L CA -0.134 54.334 54.840 -0.620 0.000 0.822 313 L CB 1.777 43.413 42.059 -0.705 0.000 1.256 313 L HN 0.814 nan 8.230 nan 0.000 0.413 314 Q N 2.022 121.515 119.800 -0.512 0.000 2.271 314 Q HA 0.464 4.804 4.340 0.000 0.000 0.258 314 Q C -1.556 174.239 176.000 -0.342 0.000 0.936 314 Q CA -0.410 55.223 55.803 -0.284 0.000 0.909 314 Q CB 1.724 30.325 28.738 -0.228 0.000 1.253 314 Q HN 0.504 nan 8.270 nan 0.000 0.440 315 W N 2.697 123.967 121.300 -0.049 0.000 2.719 315 W HA 0.651 5.312 4.660 0.000 0.000 0.352 315 W C -0.958 175.613 176.519 0.087 0.000 1.085 315 W CA -0.654 56.716 57.345 0.043 0.000 1.187 315 W CB 1.108 30.574 29.460 0.010 0.000 1.417 315 W HN 0.396 nan 8.180 nan 0.000 0.557 316 L N 1.729 123.207 121.223 0.425 0.000 2.455 316 L HA 0.583 4.923 4.340 0.000 0.000 0.264 316 L C -0.345 176.743 176.870 0.363 0.000 0.968 316 L CA -1.130 53.915 54.840 0.342 0.000 0.827 316 L CB 1.565 43.803 42.059 0.297 0.000 1.317 316 L HN 0.447 nan 8.230 nan 0.000 0.407 317 R N 2.165 122.834 120.500 0.281 0.000 2.679 317 R HA 0.264 4.604 4.340 0.000 0.000 0.269 317 R C 0.989 177.369 176.300 0.133 0.000 1.076 317 R CA -0.074 56.136 56.100 0.183 0.000 1.160 317 R CB 0.479 30.864 30.300 0.143 0.000 1.054 317 R HN 0.665 nan 8.270 nan 0.000 0.507 318 R N 1.163 121.644 120.500 -0.031 0.000 2.127 318 R HA -0.077 4.263 4.340 0.000 0.000 0.238 318 R C 0.421 176.797 176.300 0.127 0.000 1.134 318 R CA 1.146 57.214 56.100 -0.054 0.000 0.975 318 R CB 0.148 30.374 30.300 -0.123 0.000 0.865 318 R HN 0.403 nan 8.270 nan 0.000 0.447 319 I N 3.145 123.769 120.570 0.090 0.000 2.293 319 I HA -0.011 4.159 4.170 0.000 0.000 0.299 319 I C -0.002 176.191 176.117 0.126 0.000 1.153 319 I CA 0.434 61.787 61.300 0.088 0.000 1.302 319 I CB 0.735 38.771 38.000 0.061 0.000 1.460 319 I HN 0.289 nan 8.210 nan 0.000 0.552 320 Q N 4.133 124.010 119.800 0.129 0.000 2.417 320 Q HA -0.062 4.278 4.340 0.000 0.000 0.183 320 Q C 1.025 177.111 176.000 0.143 0.000 0.908 320 Q CA 0.082 55.970 55.803 0.141 0.000 0.994 320 Q CB -0.110 28.667 28.738 0.066 0.000 1.557 320 Q HN 0.457 nan 8.270 nan 0.000 0.382 321 N N -0.371 118.421 118.700 0.154 0.000 2.397 321 N HA -0.023 4.717 4.740 0.000 0.000 0.190 321 N C -1.164 174.475 175.510 0.215 0.000 1.099 321 N CA 0.311 53.452 53.050 0.151 0.000 0.876 321 N CB 0.740 39.303 38.487 0.126 0.000 1.143 321 N HN 0.331 nan 8.380 nan 0.000 0.468 322 Y N 1.132 121.472 120.300 0.067 0.000 2.361 322 Y HA 0.421 4.971 4.550 0.000 0.000 0.328 322 Y C -0.874 175.075 175.900 0.082 0.000 1.044 322 Y CA -1.015 57.123 58.100 0.062 0.000 1.085 322 Y CB 1.049 39.535 38.460 0.044 0.000 1.194 322 Y HN -0.033 nan 8.280 nan 0.000 0.438 323 S N 4.456 120.107 115.700 -0.082 0.000 2.600 323 S HA 0.933 5.403 4.470 0.000 0.000 0.300 323 S C -1.798 172.717 174.600 -0.141 0.000 1.087 323 S CA -0.686 57.512 58.200 -0.002 0.000 0.965 323 S CB 1.970 65.195 63.200 0.042 0.000 1.089 323 S HN 0.475 nan 8.310 nan 0.000 0.496 324 V N 2.694 122.619 119.914 0.019 0.000 2.789 324 V HA 0.548 4.668 4.120 0.000 0.000 0.311 324 V C -0.566 175.578 176.094 0.084 0.000 1.073 324 V CA -0.700 61.607 62.300 0.013 0.000 0.921 324 V CB 1.949 33.799 31.823 0.046 0.000 1.009 324 V HN 1.030 nan 8.190 nan 0.000 0.426 325 M N 3.555 123.181 119.600 0.044 0.000 2.268 325 M HA 0.511 4.991 4.480 0.000 0.000 0.344 325 M C -1.292 175.045 176.300 0.061 0.000 1.106 325 M CA -0.345 54.964 55.300 0.016 0.000 1.010 325 M CB 1.297 33.854 32.600 -0.071 0.000 1.649 325 M HN 0.640 nan 8.290 nan 0.000 0.443 326 D N 4.691 125.119 120.400 0.046 0.000 2.198 326 D HA 0.533 5.174 4.640 0.000 0.000 0.247 326 D C -1.148 175.144 176.300 -0.013 0.000 1.010 326 D CA -0.139 53.883 54.000 0.037 0.000 0.880 326 D CB 1.895 42.733 40.800 0.064 0.000 1.209 326 D HN 0.611 nan 8.370 nan 0.000 0.451 327 I N 2.666 123.250 120.570 0.024 0.000 2.466 327 I HA 0.221 4.391 4.170 0.000 0.000 0.279 327 I C -0.525 175.609 176.117 0.028 0.000 1.033 327 I CA -0.548 60.764 61.300 0.019 0.000 1.123 327 I CB 1.224 39.299 38.000 0.124 0.000 1.237 327 I HN 0.172 nan 8.210 nan 0.000 0.460 328 c N 3.573 122.179 118.600 0.009 0.000 2.366 328 c HA 0.580 5.150 4.570 0.000 0.000 0.345 328 c C -0.104 174.124 174.090 0.229 0.000 1.209 328 c CA -0.587 55.813 56.329 0.118 0.000 2.050 328 c CB 1.005 43.599 42.510 0.140 0.000 2.359 328 c HN 0.597 nan 8.230 nan 0.000 0.527 329 D N -0.283 120.244 120.400 0.211 0.000 2.481 329 D HA 0.353 4.993 4.640 0.000 0.000 0.244 329 D C -0.883 175.361 176.300 -0.094 0.000 1.057 329 D CA -0.289 53.783 54.000 0.120 0.000 0.848 329 D CB 0.845 41.669 40.800 0.041 0.000 1.388 329 D HN 0.558 nan 8.370 nan 0.000 0.475 330 Y N 1.727 121.650 120.300 -0.628 0.000 2.402 330 Y HA 0.203 4.754 4.550 0.000 0.000 0.333 330 Y C -0.180 175.431 175.900 -0.482 0.000 1.076 330 Y CA -0.345 57.080 58.100 -1.125 0.000 1.299 330 Y CB 0.678 38.293 38.460 -1.409 0.000 1.197 330 Y HN 0.220 nan 8.280 nan 0.000 0.517 331 D N 5.625 125.429 120.400 -0.993 0.000 2.456 331 D HA 0.069 4.709 4.640 0.000 0.000 0.219 331 D C 0.941 176.681 176.300 -0.933 0.000 1.126 331 D CA -0.020 53.564 54.000 -0.693 0.000 0.890 331 D CB 0.652 41.213 40.800 -0.399 0.000 1.025 331 D HN 0.829 nan 8.370 nan 0.000 0.511 332 E N 1.992 121.788 120.200 -0.673 0.000 2.154 332 E HA -0.238 4.113 4.350 0.000 0.000 0.240 332 E C 0.219 176.654 176.600 -0.275 0.000 1.059 332 E CA 1.664 57.828 56.400 -0.394 0.000 0.954 332 E CB -0.150 29.465 29.700 -0.141 0.000 0.842 332 E HN 0.251 nan 8.360 nan 0.000 0.508 333 S N -0.626 114.969 115.700 -0.174 0.000 3.983 333 S HA 0.278 4.749 4.470 0.000 0.000 0.194 333 S C -0.203 174.331 174.600 -0.110 0.000 1.464 333 S CA 0.272 58.412 58.200 -0.100 0.000 1.021 333 S CB 0.220 63.384 63.200 -0.059 0.000 1.424 333 S HN 0.260 nan 8.310 nan 0.000 0.473 334 S N -0.257 115.357 115.700 -0.144 0.000 2.302 334 S HA 0.261 4.731 4.470 0.000 0.000 0.258 334 S C 1.335 175.894 174.600 -0.068 0.000 0.957 334 S CA -0.055 58.080 58.200 -0.108 0.000 1.330 334 S CB 0.020 63.131 63.200 -0.148 0.000 0.982 334 S HN 0.720 nan 8.310 nan 0.000 0.459 335 G N 2.177 110.902 108.800 -0.126 0.000 2.189 335 G HA2 -0.314 3.646 3.960 0.000 0.000 0.267 335 G HA3 -0.314 3.646 3.960 0.000 0.000 0.267 335 G C -0.051 174.963 174.900 0.190 0.000 0.975 335 G CA 0.880 46.051 45.100 0.118 0.000 0.644 335 G HN 0.538 nan 8.290 nan 0.000 0.537 336 R N -1.552 118.948 120.500 -0.000 0.000 2.782 336 R HA 0.724 5.064 4.340 0.000 0.000 0.258 336 R C -0.845 175.457 176.300 0.003 0.000 1.055 336 R CA -0.870 55.294 56.100 0.108 0.000 1.065 336 R CB 0.639 30.986 30.300 0.077 0.000 1.172 336 R HN 0.184 nan 8.270 nan 0.000 0.510 337 W N 0.515 121.872 121.300 0.095 0.000 2.329 337 W HA 0.441 5.101 4.660 0.000 0.000 0.312 337 W C -0.445 176.082 176.519 0.014 0.000 1.054 337 W CA -0.325 57.062 57.345 0.071 0.000 1.245 337 W CB 1.026 30.520 29.460 0.057 0.000 1.255 337 W HN 0.431 nan 8.180 nan 0.000 0.436 338 N N 2.532 121.322 118.700 0.150 0.000 2.421 338 N HA 0.452 5.192 4.740 0.000 0.000 0.285 338 N C -1.301 174.261 175.510 0.086 0.000 1.027 338 N CA -0.675 52.424 53.050 0.083 0.000 0.918 338 N CB 1.097 39.593 38.487 0.014 0.000 1.152 338 N HN 0.211 nan 8.380 nan 0.000 0.485 339 c N 3.626 122.260 118.600 0.057 0.000 2.242 339 c HA 0.334 4.904 4.570 0.000 0.000 0.317 339 c C 0.509 174.606 174.090 0.012 0.000 1.087 339 c CA -1.125 55.226 56.329 0.037 0.000 1.535 339 c CB -1.456 41.065 42.510 0.019 0.000 1.893 339 c HN 0.591 nan 8.230 nan 0.000 0.426 340 L N 2.633 123.864 121.223 0.015 0.000 2.513 340 L HA 0.163 4.503 4.340 0.000 0.000 0.272 340 L C 0.896 177.759 176.870 -0.011 0.000 1.187 340 L CA 0.315 55.156 54.840 0.000 0.000 0.895 340 L CB 0.112 42.174 42.059 0.004 0.000 1.147 340 L HN 0.467 nan 8.230 nan 0.000 0.483 341 V N 4.909 124.808 119.914 -0.024 0.000 3.503 341 V HA 0.246 4.366 4.120 0.000 0.000 0.300 341 V C 1.349 177.417 176.094 -0.044 0.000 1.099 341 V CA 0.927 63.205 62.300 -0.037 0.000 1.117 341 V CB 1.171 32.971 31.823 -0.038 0.000 1.122 341 V HN 1.130 nan 8.190 nan 0.000 0.476 342 A N 2.020 124.801 122.820 -0.066 0.000 4.287 342 A HA -0.338 3.983 4.320 0.000 0.000 0.258 342 A C 1.831 179.345 177.584 -0.116 0.000 0.811 342 A CA 2.212 54.199 52.037 -0.082 0.000 1.245 342 A CB -1.877 17.092 19.000 -0.052 0.000 1.055 342 A HN 1.151 nan 8.150 nan 0.000 0.763 343 R N 0.844 121.297 120.500 -0.078 0.000 2.300 343 R HA 0.133 4.473 4.340 0.000 0.000 0.199 343 R C 0.988 177.242 176.300 -0.075 0.000 0.920 343 R CA 0.910 56.985 56.100 -0.041 0.000 1.046 343 R CB -0.042 30.278 30.300 0.032 0.000 0.984 343 R HN 0.857 nan 8.270 nan 0.000 0.493 344 Q N -0.227 119.499 119.800 -0.123 0.000 2.260 344 Q HA 0.205 4.545 4.340 0.000 0.000 0.238 344 Q C -1.184 174.645 176.000 -0.285 0.000 0.948 344 Q CA -0.509 55.251 55.803 -0.072 0.000 0.895 344 Q CB 1.085 29.805 28.738 -0.029 0.000 1.218 344 Q HN 0.214 nan 8.270 nan 0.000 0.470 345 H N 0.026 119.105 119.070 0.016 0.000 2.600 345 H HA 0.496 5.052 4.556 0.000 0.000 0.357 345 H C -0.913 174.391 175.328 -0.040 0.000 1.106 345 H CA -0.600 55.461 56.048 0.021 0.000 1.193 345 H CB 1.492 31.292 29.762 0.064 0.000 1.594 345 H HN 0.520 nan 8.280 nan 0.000 0.526 346 I N 1.889 122.474 120.570 0.025 0.000 2.392 346 I HA 0.261 4.431 4.170 0.000 0.000 0.295 346 I C -0.041 176.015 176.117 -0.102 0.000 0.985 346 I CA -0.281 60.937 61.300 -0.138 0.000 1.221 346 I CB 1.392 39.270 38.000 -0.204 0.000 1.366 346 I HN 0.551 nan 8.210 nan 0.000 0.467 347 E N 8.230 128.319 120.200 -0.184 0.000 2.241 347 E HA 0.569 4.919 4.350 0.000 0.000 0.263 347 E C -1.263 175.253 176.600 -0.139 0.000 0.882 347 E CA -0.679 55.667 56.400 -0.090 0.000 0.769 347 E CB 1.561 31.241 29.700 -0.032 0.000 1.185 347 E HN 0.630 nan 8.360 nan 0.000 0.415 348 M N 1.067 120.627 119.600 -0.067 0.000 2.667 348 M HA 0.644 5.124 4.480 0.000 0.000 0.286 348 M C -1.128 175.192 176.300 0.032 0.000 1.270 348 M CA -0.955 54.344 55.300 -0.002 0.000 0.826 348 M CB 2.299 34.936 32.600 0.062 0.000 1.743 348 M HN 0.245 nan 8.290 nan 0.000 0.460 349 S N -0.441 115.290 115.700 0.052 0.000 2.538 349 S HA 0.572 5.042 4.470 0.000 0.000 0.288 349 S C 0.235 174.860 174.600 0.042 0.000 1.108 349 S CA -0.002 58.218 58.200 0.034 0.000 0.971 349 S CB 1.742 64.948 63.200 0.010 0.000 1.041 349 S HN 0.906 nan 8.310 nan 0.000 0.483 350 T N -0.102 114.472 114.554 0.035 0.000 3.022 350 T HA 0.078 4.428 4.350 0.000 0.000 0.250 350 T C 1.445 176.163 174.700 0.030 0.000 1.060 350 T CA 0.832 62.953 62.100 0.034 0.000 1.013 350 T CB -0.275 68.609 68.868 0.028 0.000 0.982 350 T HN 0.665 nan 8.240 nan 0.000 0.508 351 T N -2.255 112.325 114.554 0.044 0.000 3.015 351 T HA 0.607 4.957 4.350 0.000 0.000 0.250 351 T C 1.244 175.945 174.700 0.002 0.000 1.057 351 T CA 0.440 62.582 62.100 0.071 0.000 1.066 351 T CB 0.434 69.370 68.868 0.113 0.000 0.959 351 T HN 0.543 nan 8.240 nan 0.000 0.488 352 G N 0.579 109.275 108.800 -0.173 0.000 3.319 352 G HA2 0.497 4.457 3.960 0.000 0.000 0.158 352 G HA3 0.497 4.457 3.960 0.000 0.000 0.158 352 G C -1.697 173.039 174.900 -0.273 0.000 1.205 352 G CA -0.434 44.316 45.100 -0.583 0.000 1.252 352 G HN 0.544 nan 8.290 nan 0.000 0.668 353 W N 0.078 121.118 121.300 -0.434 0.000 2.736 353 W HA 0.778 5.438 4.660 0.000 0.000 0.355 353 W C -0.677 175.796 176.519 -0.078 0.000 1.102 353 W CA -1.447 55.770 57.345 -0.213 0.000 1.164 353 W CB 1.249 30.532 29.460 -0.295 0.000 1.422 353 W HN 0.275 nan 8.180 nan 0.000 0.572 354 V N 3.895 123.893 119.914 0.140 0.000 2.455 354 V HA 0.614 4.734 4.120 0.000 0.000 0.273 354 V C 0.865 177.037 176.094 0.131 0.000 1.045 354 V CA 0.717 63.064 62.300 0.079 0.000 0.976 354 V CB -0.257 31.614 31.823 0.080 0.000 0.993 354 V HN 1.315 nan 8.190 nan 0.000 0.475 355 G N 5.272 114.106 108.800 0.057 0.000 2.781 355 G HA2 -0.193 3.768 3.960 0.000 0.000 0.683 355 G HA3 -0.193 3.768 3.960 0.000 0.000 0.683 355 G C 0.346 175.337 174.900 0.152 0.000 1.390 355 G CA 0.078 45.234 45.100 0.094 0.000 0.850 355 G HN 0.637 nan 8.290 nan 0.000 0.557 356 R N -0.577 119.997 120.500 0.124 0.000 2.073 356 R HA 0.064 4.404 4.340 0.000 0.000 0.234 356 R C 1.745 177.995 176.300 -0.083 0.000 1.134 356 R CA 2.209 58.340 56.100 0.052 0.000 0.952 356 R CB -0.086 30.231 30.300 0.028 0.000 0.850 356 R HN 0.485 nan 8.270 nan 0.000 0.433 357 F N -1.207 118.895 119.950 0.253 0.000 2.925 357 F HA 0.259 4.786 4.527 0.000 0.000 0.359 357 F C 0.092 175.936 175.800 0.074 0.000 1.038 357 F CA -0.443 57.644 58.000 0.146 0.000 1.130 357 F CB 0.831 39.915 39.000 0.141 0.000 1.093 357 F HN -0.123 nan 8.300 nan 0.000 0.561 358 R N -0.529 120.122 120.500 0.252 0.000 2.753 358 R HA 0.331 4.672 4.340 0.000 0.000 0.272 358 R C -3.371 173.003 176.300 0.122 0.000 1.034 358 R CA -1.596 54.592 56.100 0.147 0.000 0.869 358 R CB 0.487 30.860 30.300 0.121 0.000 1.264 358 R HN -0.338 nan 8.270 nan 0.000 0.481 359 P HA -0.037 nan 4.420 nan 0.000 0.266 359 P C -0.106 177.207 177.300 0.021 0.000 1.195 359 P CA 0.102 63.225 63.100 0.039 0.000 0.768 359 P CB 0.844 32.548 31.700 0.006 0.000 0.838 360 S N 1.279 116.993 115.700 0.023 0.000 2.576 360 S HA 0.021 4.491 4.470 0.000 0.000 0.272 360 S C 0.229 174.800 174.600 -0.048 0.000 1.352 360 S CA -0.649 57.567 58.200 0.026 0.000 1.021 360 S CB 0.402 63.639 63.200 0.060 0.000 0.887 360 S HN 0.601 nan 8.310 nan 0.000 0.542 361 E N 2.490 122.664 120.200 -0.043 0.000 2.316 361 E HA 0.228 4.578 4.350 0.000 0.000 0.275 361 E C -2.243 174.202 176.600 -0.258 0.000 1.029 361 E CA -2.116 54.186 56.400 -0.163 0.000 0.871 361 E CB 0.508 30.116 29.700 -0.154 0.000 1.022 361 E HN 0.469 nan 8.360 nan 0.000 0.418 362 P HA 0.149 nan 4.420 nan 0.000 0.282 362 P C -1.191 175.877 177.300 -0.387 0.000 1.249 362 P CA -0.253 62.596 63.100 -0.418 0.000 0.806 362 P CB 0.890 32.150 31.700 -0.733 0.000 0.984 363 H N 2.534 121.584 119.070 -0.033 0.000 2.792 363 H HA 0.289 4.845 4.556 0.000 0.000 0.298 363 H C -0.222 175.212 175.328 0.177 0.000 1.042 363 H CA -0.342 55.788 56.048 0.137 0.000 1.300 363 H CB 0.169 30.034 29.762 0.171 0.000 1.431 363 H HN 0.298 nan 8.280 nan 0.000 0.496 364 F N 1.885 121.989 119.950 0.256 0.000 2.418 364 F HA 0.063 4.590 4.527 0.000 0.000 0.341 364 F C 1.685 177.661 175.800 0.293 0.000 1.120 364 F CA -0.390 57.778 58.000 0.280 0.000 1.232 364 F CB 0.871 39.971 39.000 0.166 0.000 1.175 364 F HN 0.345 nan 8.300 nan 0.000 0.569 365 T N 0.337 115.171 114.554 0.465 0.000 2.766 365 T HA 0.111 4.461 4.350 0.000 0.000 0.295 365 T C 1.208 176.089 174.700 0.303 0.000 1.024 365 T CA -0.771 61.546 62.100 0.361 0.000 1.018 365 T CB 0.641 69.706 68.868 0.328 0.000 1.002 365 T HN 0.555 nan 8.240 nan 0.000 0.532 366 L N 1.297 122.658 121.223 0.229 0.000 2.021 366 L HA -0.152 4.188 4.340 0.000 0.000 0.215 366 L C 2.240 179.219 176.870 0.182 0.000 1.074 366 L CA 2.464 57.415 54.840 0.186 0.000 0.760 366 L CB -0.882 41.264 42.059 0.145 0.000 0.889 366 L HN 0.947 nan 8.230 nan 0.000 0.433 367 D N -1.542 118.966 120.400 0.181 0.000 2.355 367 D HA 0.046 4.686 4.640 0.000 0.000 0.218 367 D C 1.513 177.928 176.300 0.191 0.000 1.004 367 D CA 0.777 54.875 54.000 0.164 0.000 0.880 367 D CB -0.548 40.335 40.800 0.139 0.000 0.911 367 D HN 0.413 nan 8.370 nan 0.000 0.528 368 G N 0.824 109.780 108.800 0.259 0.000 2.221 368 G HA2 -0.368 3.592 3.960 0.000 0.000 0.265 368 G HA3 -0.368 3.592 3.960 0.000 0.000 0.265 368 G C 0.520 175.629 174.900 0.349 0.000 1.041 368 G CA 0.492 45.788 45.100 0.327 0.000 0.807 368 G HN 0.486 nan 8.290 nan 0.000 0.502 369 N N -0.610 118.265 118.700 0.291 0.000 2.250 369 N HA 0.321 5.061 4.740 0.000 0.000 0.190 369 N C 0.768 176.385 175.510 0.178 0.000 1.116 369 N CA 0.600 53.781 53.050 0.218 0.000 0.881 369 N CB 0.550 39.122 38.487 0.142 0.000 1.006 369 N HN 0.634 nan 8.380 nan 0.000 0.491 370 S N -0.315 115.503 115.700 0.197 0.000 2.607 370 S HA 0.751 5.221 4.470 0.000 0.000 0.273 370 S C -1.197 173.430 174.600 0.044 0.000 1.148 370 S CA -1.017 57.165 58.200 -0.030 0.000 0.833 370 S CB 1.613 64.735 63.200 -0.130 0.000 1.130 370 S HN 0.159 nan 8.310 nan 0.000 0.470 371 F N -2.012 117.746 119.950 -0.319 0.000 2.713 371 F HA 0.825 5.353 4.527 0.000 0.000 0.311 371 F C -2.394 173.238 175.800 -0.281 0.000 1.141 371 F CA -1.558 56.216 58.000 -0.377 0.000 0.939 371 F CB 0.593 38.943 39.000 -1.084 0.000 1.325 371 F HN 0.595 nan 8.300 nan 0.000 0.453 372 Y N 1.097 121.573 120.300 0.294 0.000 2.409 372 Y HA 0.694 5.244 4.550 0.000 0.000 0.343 372 Y C -0.566 175.511 175.900 0.295 0.000 0.973 372 Y CA -0.973 57.291 58.100 0.273 0.000 1.064 372 Y CB 2.255 40.813 38.460 0.164 0.000 1.207 372 Y HN 0.740 nan 8.280 nan 0.000 0.452 373 K N 1.273 121.911 120.400 0.395 0.000 2.551 373 K HA 0.670 4.990 4.320 0.000 0.000 0.269 373 K C -1.804 174.924 176.600 0.214 0.000 0.949 373 K CA -0.763 55.683 56.287 0.265 0.000 0.849 373 K CB 1.782 34.334 32.500 0.087 0.000 1.411 373 K HN 0.577 nan 8.250 nan 0.000 0.432 374 I N 3.753 124.422 120.570 0.165 0.000 2.396 374 I HA 0.291 4.461 4.170 0.000 0.000 0.289 374 I C 0.162 176.350 176.117 0.119 0.000 1.056 374 I CA -0.493 60.883 61.300 0.126 0.000 1.365 374 I CB 0.245 38.310 38.000 0.107 0.000 1.407 374 I HN 0.636 nan 8.210 nan 0.000 0.509 375 I N 2.042 122.700 120.570 0.147 0.000 3.074 375 I HA 0.516 4.687 4.170 0.000 0.000 0.310 375 I C -0.282 175.948 176.117 0.188 0.000 1.153 375 I CA -0.745 60.644 61.300 0.149 0.000 0.993 375 I CB 2.187 40.284 38.000 0.163 0.000 1.237 375 I HN 0.327 nan 8.210 nan 0.000 0.443 376 S N 2.290 118.055 115.700 0.108 0.000 2.549 376 S HA 0.249 4.719 4.470 0.000 0.000 0.279 376 S C 0.127 174.782 174.600 0.093 0.000 1.321 376 S CA -0.283 57.934 58.200 0.029 0.000 1.054 376 S CB -0.068 63.085 63.200 -0.079 0.000 0.899 376 S HN 0.675 nan 8.310 nan 0.000 0.497 377 N N 1.899 120.568 118.700 -0.051 0.000 2.326 377 N HA 0.052 4.792 4.740 0.000 0.000 0.239 377 N C 1.112 176.542 175.510 -0.133 0.000 1.301 377 N CA -0.112 52.806 53.050 -0.220 0.000 0.909 377 N CB 0.461 38.834 38.487 -0.191 0.000 1.156 377 N HN 0.794 nan 8.380 nan 0.000 0.462 378 E N 0.616 120.713 120.200 -0.172 0.000 2.106 378 E HA -0.162 4.188 4.350 0.000 0.000 0.192 378 E C 1.088 177.635 176.600 -0.088 0.000 0.984 378 E CA 1.474 57.818 56.400 -0.093 0.000 0.806 378 E CB -0.070 29.573 29.700 -0.095 0.000 0.750 378 E HN 0.707 nan 8.360 nan 0.000 0.458 379 E N -1.022 119.125 120.200 -0.089 0.000 2.502 379 E HA 0.021 4.372 4.350 0.000 0.000 0.194 379 E C 0.631 177.200 176.600 -0.052 0.000 1.062 379 E CA 0.613 56.997 56.400 -0.027 0.000 0.867 379 E CB -0.190 29.530 29.700 0.034 0.000 0.888 379 E HN 0.409 nan 8.360 nan 0.000 0.510 380 G N 0.180 108.899 108.800 -0.135 0.000 2.157 380 G HA2 -0.278 3.682 3.960 0.000 0.000 0.239 380 G HA3 -0.278 3.682 3.960 0.000 0.000 0.239 380 G C -0.386 174.264 174.900 -0.417 0.000 0.982 380 G CA 0.285 45.204 45.100 -0.302 0.000 0.650 380 G HN 0.252 nan 8.290 nan 0.000 0.527 381 Y N 0.300 120.459 120.300 -0.236 0.000 2.352 381 Y HA 0.660 5.210 4.550 0.000 0.000 0.326 381 Y C 1.228 176.922 175.900 -0.344 0.000 1.166 381 Y CA -0.744 57.185 58.100 -0.285 0.000 1.182 381 Y CB 0.922 39.221 38.460 -0.269 0.000 1.216 381 Y HN 0.066 nan 8.280 nan 0.000 0.474 382 R N 3.372 123.692 120.500 -0.299 0.000 2.216 382 R HA 0.305 4.645 4.340 0.000 0.000 0.332 382 R C -0.873 175.082 176.300 -0.575 0.000 1.056 382 R CA -0.210 55.723 56.100 -0.278 0.000 0.901 382 R CB 0.196 30.412 30.300 -0.141 0.000 1.039 382 R HN 0.657 nan 8.270 nan 0.000 0.456 383 H N 1.824 120.886 119.070 -0.013 0.000 2.949 383 H HA 0.351 4.907 4.556 0.000 0.000 0.356 383 H C -0.110 175.270 175.328 0.086 0.000 1.212 383 H CA -0.925 55.093 56.048 -0.049 0.000 1.136 383 H CB 1.596 31.282 29.762 -0.126 0.000 1.869 383 H HN 0.325 nan 8.280 nan 0.000 0.556 384 I N 1.285 121.922 120.570 0.112 0.000 2.416 384 I HA 0.070 4.240 4.170 0.000 0.000 0.288 384 I C 0.427 176.543 176.117 -0.002 0.000 1.051 384 I CA 0.040 61.367 61.300 0.045 0.000 1.375 384 I CB 0.403 38.359 38.000 -0.073 0.000 1.407 384 I HN 0.137 nan 8.210 nan 0.000 0.516 385 c N 7.006 125.558 118.600 -0.081 0.000 2.435 385 c HA 0.456 5.026 4.570 0.000 0.000 0.333 385 c C -0.373 173.615 174.090 -0.169 0.000 1.202 385 c CA -0.431 55.652 56.329 -0.410 0.000 1.830 385 c CB 1.142 43.183 42.510 -0.782 0.000 2.326 385 c HN 0.643 nan 8.230 nan 0.000 0.507 386 Y N 4.184 124.156 120.300 -0.548 0.000 2.328 386 Y HA 0.687 5.237 4.550 0.000 0.000 0.337 386 Y C -1.025 174.399 175.900 -0.794 0.000 1.008 386 Y CA -0.981 56.720 58.100 -0.665 0.000 1.129 386 Y CB 0.307 38.466 38.460 -0.502 0.000 1.185 386 Y HN 0.607 nan 8.280 nan 0.000 0.476 387 F N 3.011 122.216 119.950 -1.241 0.000 2.556 387 F HA 0.544 5.071 4.527 0.000 0.000 0.327 387 F C -0.405 174.649 175.800 -1.243 0.000 1.059 387 F CA -0.963 56.236 58.000 -1.335 0.000 0.953 387 F CB 1.709 39.473 39.000 -2.060 0.000 1.227 387 F HN 0.258 nan 8.300 nan 0.000 0.478 388 Q N 1.607 121.057 119.800 -0.584 0.000 2.339 388 Q HA 0.370 4.710 4.340 0.000 0.000 0.268 388 Q C 0.923 176.880 176.000 -0.072 0.000 1.027 388 Q CA -0.257 55.340 55.803 -0.343 0.000 0.759 388 Q CB 1.284 29.864 28.738 -0.263 0.000 1.244 388 Q HN 0.672 nan 8.270 nan 0.000 0.464 389 I N -0.495 120.099 120.570 0.041 0.000 2.450 389 I HA -0.327 3.843 4.170 0.000 0.000 0.260 389 I C -0.013 176.275 176.117 0.285 0.000 1.145 389 I CA 2.174 63.649 61.300 0.292 0.000 1.413 389 I CB -0.039 38.141 38.000 0.299 0.000 1.090 389 I HN 0.500 nan 8.210 nan 0.000 0.445 390 D N -0.733 119.745 120.400 0.131 0.000 2.469 390 D HA 0.188 4.828 4.640 0.000 0.000 0.213 390 D C 0.253 176.557 176.300 0.007 0.000 1.135 390 D CA -0.322 53.709 54.000 0.052 0.000 0.834 390 D CB 0.128 40.945 40.800 0.027 0.000 1.009 390 D HN 0.177 nan 8.370 nan 0.000 0.507 391 K N 1.180 121.598 120.400 0.030 0.000 2.211 391 K HA 0.229 4.549 4.320 0.000 0.000 0.275 391 K C 1.069 177.684 176.600 0.025 0.000 1.024 391 K CA -0.521 55.754 56.287 -0.021 0.000 0.887 391 K CB 1.410 33.853 32.500 -0.095 0.000 1.084 391 K HN 0.059 nan 8.250 nan 0.000 0.463 392 K N 0.810 121.189 120.400 -0.036 0.000 2.362 392 K HA -0.029 4.292 4.320 0.000 0.000 0.200 392 K C -0.109 176.504 176.600 0.022 0.000 1.046 392 K CA 0.993 57.265 56.287 -0.025 0.000 0.952 392 K CB 0.314 32.781 32.500 -0.056 0.000 0.753 392 K HN 0.348 nan 8.250 nan 0.000 0.466 393 D N 0.898 121.257 120.400 -0.068 0.000 2.342 393 D HA 0.222 4.862 4.640 0.000 0.000 0.243 393 D C -0.512 175.556 176.300 -0.387 0.000 1.019 393 D CA -0.590 53.307 54.000 -0.173 0.000 0.864 393 D CB 2.076 42.794 40.800 -0.137 0.000 1.315 393 D HN 0.342 nan 8.370 nan 0.000 0.468 394 c N 0.244 118.450 118.600 -0.657 0.000 2.531 394 c HA 0.869 5.440 4.570 0.000 0.000 0.369 394 c C 0.018 173.716 174.090 -0.654 0.000 1.258 394 c CA -0.472 55.244 56.329 -1.020 0.000 1.876 394 c CB 1.053 42.255 42.510 -2.180 0.000 2.256 394 c HN 0.512 nan 8.230 nan 0.000 0.510 395 T N 1.474 115.687 114.554 -0.568 0.000 2.809 395 T HA 0.469 4.819 4.350 0.000 0.000 0.284 395 T C -0.743 173.776 174.700 -0.303 0.000 0.992 395 T CA 0.132 62.064 62.100 -0.280 0.000 0.957 395 T CB 0.374 69.221 68.868 -0.035 0.000 0.942 395 T HN 0.478 nan 8.240 nan 0.000 0.439 396 F N 3.199 123.048 119.950 -0.169 0.000 2.538 396 F HA 0.220 4.747 4.527 0.000 0.000 0.371 396 F C 1.716 177.368 175.800 -0.247 0.000 1.087 396 F CA -0.631 57.257 58.000 -0.187 0.000 1.250 396 F CB 0.415 39.301 39.000 -0.190 0.000 1.110 396 F HN 0.595 nan 8.300 nan 0.000 0.570 397 I N -0.871 119.576 120.570 -0.205 0.000 4.070 397 I HA 0.217 4.387 4.170 0.000 0.000 0.328 397 I C 0.271 176.190 176.117 -0.329 0.000 1.298 397 I CA 0.079 61.029 61.300 -0.582 0.000 1.173 397 I CB 0.088 37.453 38.000 -1.059 0.000 1.051 397 I HN 0.491 nan 8.210 nan 0.000 0.409 398 T N 0.362 114.802 114.554 -0.190 0.000 2.916 398 T HA 0.753 5.103 4.350 0.000 0.000 0.292 398 T C -0.607 173.772 174.700 -0.535 0.000 1.055 398 T CA -0.626 61.358 62.100 -0.193 0.000 1.009 398 T CB 2.692 71.495 68.868 -0.108 0.000 1.118 398 T HN 0.525 nan 8.240 nan 0.000 0.497 399 K N -0.402 119.512 120.400 -0.811 0.000 2.672 399 K HA 0.770 5.090 4.320 0.000 0.000 0.295 399 K C -0.334 175.658 176.600 -1.013 0.000 1.042 399 K CA -0.668 54.797 56.287 -1.370 0.000 0.869 399 K CB 1.029 33.120 32.500 -0.683 0.000 1.541 399 K HN 1.686 nan 8.250 nan 0.000 0.396 400 G N -0.179 108.091 108.800 -0.882 0.000 2.381 400 G HA2 0.083 4.043 3.960 0.000 0.000 0.672 400 G HA3 0.083 4.043 3.960 0.000 0.000 0.672 400 G C -0.805 173.642 174.900 -0.756 0.000 1.324 400 G CA -0.420 44.364 45.100 -0.527 0.000 0.975 400 G HN 1.235 nan 8.290 nan 0.000 0.593 401 T N -0.440 113.796 114.554 -0.531 0.000 3.579 401 T HA 0.606 4.956 4.350 0.000 0.000 0.328 401 T C 0.135 174.713 174.700 -0.204 0.000 1.481 401 T CA 0.536 62.120 62.100 -0.859 0.000 1.144 401 T CB -0.777 67.699 68.868 -0.653 0.000 1.205 401 T HN 1.694 nan 8.240 nan 0.000 0.812 402 W N 0.086 121.311 121.300 -0.125 0.000 2.926 402 W HA 0.595 5.255 4.660 0.000 0.000 0.361 402 W C -1.539 174.991 176.519 0.018 0.000 1.195 402 W CA -0.939 56.429 57.345 0.038 0.000 1.177 402 W CB 0.537 29.997 29.460 0.001 0.000 1.453 402 W HN 0.286 nan 8.180 nan 0.000 0.571 403 E N 0.640 121.022 120.200 0.304 0.000 2.336 403 E HA 0.477 4.827 4.350 0.000 0.000 0.267 403 E C -1.210 175.512 176.600 0.203 0.000 0.906 403 E CA -1.225 55.166 56.400 -0.014 0.000 0.781 403 E CB 3.322 33.043 29.700 0.034 0.000 1.261 403 E HN 0.159 nan 8.360 nan 0.000 0.436 404 V N 3.631 123.551 119.914 0.008 0.000 2.408 404 V HA 0.003 4.123 4.120 0.000 0.000 0.267 404 V C 1.265 177.448 176.094 0.149 0.000 1.047 404 V CA -0.093 62.283 62.300 0.127 0.000 0.937 404 V CB 0.463 32.250 31.823 -0.060 0.000 0.999 404 V HN 0.675 nan 8.190 nan 0.000 0.472 405 I N 3.592 124.274 120.570 0.185 0.000 2.163 405 I HA 0.131 4.301 4.170 0.000 0.000 0.240 405 I C 1.189 177.421 176.117 0.193 0.000 1.081 405 I CA 1.389 62.788 61.300 0.165 0.000 1.353 405 I CB -0.988 37.042 38.000 0.050 0.000 1.054 405 I HN 0.737 nan 8.210 nan 0.000 0.407 406 G N 0.178 109.094 108.800 0.194 0.000 2.673 406 G HA2 0.561 4.521 3.960 0.000 0.000 0.292 406 G HA3 0.561 4.521 3.960 0.000 0.000 0.292 406 G C -1.243 173.768 174.900 0.185 0.000 1.450 406 G CA -0.578 44.638 45.100 0.194 0.000 0.837 406 G HN -0.010 nan 8.290 nan 0.000 0.505 407 I N 1.776 122.421 120.570 0.125 0.000 2.312 407 I HA 0.218 4.388 4.170 0.000 0.000 0.291 407 I C 0.704 176.777 176.117 -0.074 0.000 1.031 407 I CA -0.552 60.718 61.300 -0.050 0.000 1.293 407 I CB 1.669 39.444 38.000 -0.375 0.000 1.403 407 I HN 0.464 nan 8.210 nan 0.000 0.484 408 E N 4.950 125.142 120.200 -0.013 0.000 2.216 408 E HA 0.256 4.606 4.350 0.000 0.000 0.192 408 E C 0.260 176.741 176.600 -0.199 0.000 0.973 408 E CA 0.272 56.676 56.400 0.007 0.000 0.851 408 E CB 0.568 30.363 29.700 0.158 0.000 0.804 408 E HN 0.684 nan 8.360 nan 0.000 0.477 409 A N 0.588 123.191 122.820 -0.361 0.000 2.555 409 A HA 0.541 4.861 4.320 0.000 0.000 0.297 409 A C -1.846 175.610 177.584 -0.213 0.000 1.060 409 A CA -0.672 51.094 52.037 -0.452 0.000 0.710 409 A CB 1.091 19.329 19.000 -1.269 0.000 1.282 409 A HN 0.050 nan 8.150 nan 0.000 0.399 410 L N 1.996 123.149 121.223 -0.116 0.000 2.365 410 L HA 0.922 5.262 4.340 0.000 0.000 0.273 410 L C 0.112 176.994 176.870 0.020 0.000 1.000 410 L CA 0.445 55.253 54.840 -0.053 0.000 0.819 410 L CB 2.200 44.253 42.059 -0.010 0.000 1.284 410 L HN 1.119 nan 8.230 nan 0.000 0.418 411 T N -0.534 114.045 114.554 0.042 0.000 2.865 411 T HA 0.373 4.723 4.350 0.000 0.000 0.294 411 T C 0.890 175.625 174.700 0.059 0.000 1.119 411 T CA -0.017 62.129 62.100 0.077 0.000 1.007 411 T CB 1.213 70.160 68.868 0.132 0.000 1.225 411 T HN 0.617 nan 8.240 nan 0.000 0.515 412 S N -0.157 115.582 115.700 0.066 0.000 2.419 412 S HA -0.156 4.314 4.470 0.000 0.000 0.233 412 S C 1.306 175.900 174.600 -0.011 0.000 1.016 412 S CA 1.296 59.525 58.200 0.047 0.000 0.974 412 S CB -0.644 62.588 63.200 0.053 0.000 0.786 412 S HN 0.728 nan 8.310 nan 0.000 0.492 413 D N 0.493 120.895 120.400 0.004 0.000 2.087 413 D HA 0.129 4.769 4.640 0.000 0.000 0.201 413 D C 0.054 176.170 176.300 -0.306 0.000 0.980 413 D CA 1.084 55.032 54.000 -0.086 0.000 0.849 413 D CB 0.081 40.976 40.800 0.158 0.000 1.001 413 D HN 0.449 nan 8.370 nan 0.000 0.452 414 Y N -1.060 119.157 120.300 -0.139 0.000 2.693 414 Y HA 0.481 5.032 4.550 0.000 0.000 0.331 414 Y C -0.156 175.529 175.900 -0.358 0.000 1.092 414 Y CA -1.119 56.802 58.100 -0.299 0.000 1.131 414 Y CB 1.360 39.492 38.460 -0.547 0.000 1.318 414 Y HN -0.188 nan 8.280 nan 0.000 0.510 415 L N 1.948 123.013 121.223 -0.264 0.000 2.372 415 L HA 0.480 4.821 4.340 0.000 0.000 0.274 415 L C -2.059 174.626 176.870 -0.309 0.000 0.988 415 L CA -0.798 53.860 54.840 -0.304 0.000 0.833 415 L CB 0.448 42.270 42.059 -0.395 0.000 1.236 415 L HN 0.644 nan 8.230 nan 0.000 0.410 416 Y N 5.939 126.113 120.300 -0.210 0.000 2.323 416 Y HA 0.553 5.104 4.550 0.000 0.000 0.331 416 Y C -0.068 175.784 175.900 -0.079 0.000 1.092 416 Y CA -0.095 57.863 58.100 -0.235 0.000 1.150 416 Y CB 1.358 39.500 38.460 -0.530 0.000 1.200 416 Y HN 0.587 nan 8.280 nan 0.000 0.472 417 Y N 0.095 120.426 120.300 0.052 0.000 2.670 417 Y HA 0.792 5.342 4.550 0.000 0.000 0.334 417 Y C -1.963 174.016 175.900 0.133 0.000 1.185 417 Y CA -2.070 56.066 58.100 0.060 0.000 1.053 417 Y CB 1.055 39.527 38.460 0.020 0.000 1.298 417 Y HN 0.414 nan 8.280 nan 0.000 0.459 418 I N 2.777 123.550 120.570 0.339 0.000 2.474 418 I HA 0.675 4.845 4.170 0.000 0.000 0.294 418 I C -0.534 175.789 176.117 0.343 0.000 1.005 418 I CA -0.532 60.910 61.300 0.237 0.000 1.113 418 I CB 2.112 40.187 38.000 0.124 0.000 1.289 418 I HN 0.874 nan 8.210 nan 0.000 0.436 419 S N 3.015 118.883 115.700 0.280 0.000 2.638 419 S HA 0.422 4.892 4.470 0.000 0.000 0.274 419 S C -0.598 174.067 174.600 0.108 0.000 1.157 419 S CA -0.862 57.478 58.200 0.233 0.000 0.826 419 S CB 1.709 65.068 63.200 0.266 0.000 1.139 419 S HN 0.647 nan 8.310 nan 0.000 0.474 420 N N -0.322 118.436 118.700 0.097 0.000 2.321 420 N HA 0.143 4.883 4.740 0.000 0.000 0.242 420 N C 0.605 176.111 175.510 -0.007 0.000 1.141 420 N CA -0.221 52.846 53.050 0.027 0.000 0.864 420 N CB 0.288 38.772 38.487 -0.005 0.000 1.100 420 N HN 0.816 nan 8.380 nan 0.000 0.510 421 E N -0.103 119.961 120.200 -0.226 0.000 2.106 421 E HA -0.208 4.143 4.350 0.000 0.000 0.192 421 E C -0.315 176.120 176.600 -0.274 0.000 0.984 421 E CA 0.260 56.261 56.400 -0.665 0.000 0.806 421 E CB -0.083 28.502 29.700 -1.858 0.000 0.750 421 E HN 0.413 nan 8.360 nan 0.000 0.458 422 Y N 1.666 121.869 120.300 -0.161 0.000 2.810 422 Y HA -0.105 4.445 4.550 0.000 0.000 0.332 422 Y C 0.539 176.400 175.900 -0.065 0.000 1.243 422 Y CA 0.809 58.868 58.100 -0.069 0.000 1.537 422 Y CB 0.263 38.714 38.460 -0.015 0.000 1.265 422 Y HN 0.072 nan 8.280 nan 0.000 0.572 423 K N 3.266 123.352 120.400 -0.523 0.000 3.363 423 K HA -0.239 4.081 4.320 0.000 0.000 0.313 423 K C 0.918 177.436 176.600 -0.137 0.000 1.259 423 K CA 1.358 57.420 56.287 -0.375 0.000 0.942 423 K CB -1.622 30.645 32.500 -0.389 0.000 1.229 423 K HN 1.324 nan 8.250 nan 0.000 0.440 424 G N 0.157 108.895 108.800 -0.104 0.000 2.180 424 G HA2 -0.371 3.589 3.960 0.000 0.000 0.263 424 G HA3 -0.371 3.589 3.960 0.000 0.000 0.263 424 G C 0.087 174.976 174.900 -0.018 0.000 0.989 424 G CA 0.943 46.034 45.100 -0.016 0.000 0.692 424 G HN 0.568 nan 8.290 nan 0.000 0.526 425 M N -0.642 118.877 119.600 -0.134 0.000 2.063 425 M HA 0.509 4.989 4.480 0.000 0.000 0.348 425 M C -1.246 174.815 176.300 -0.398 0.000 1.180 425 M CA -2.104 52.934 55.300 -0.435 0.000 1.059 425 M CB 1.750 34.079 32.600 -0.453 0.000 1.544 425 M HN -0.086 nan 8.290 nan 0.000 0.447 426 P HA -0.073 nan 4.420 nan 0.000 0.223 426 P C 1.106 178.276 177.300 -0.217 0.000 1.144 426 P CA 1.551 64.508 63.100 -0.239 0.000 0.783 426 P CB -0.044 31.556 31.700 -0.167 0.000 0.771 427 G N -0.563 108.041 108.800 -0.327 0.000 2.985 427 G HA2 0.226 4.186 3.960 0.000 0.000 0.209 427 G HA3 0.226 4.186 3.960 0.000 0.000 0.209 427 G C 0.726 175.649 174.900 0.038 0.000 1.165 427 G CA 0.140 45.176 45.100 -0.108 0.000 0.776 427 G HN 0.437 nan 8.290 nan 0.000 0.541 428 G N -0.071 108.698 108.800 -0.052 0.000 2.400 428 G HA2 0.619 4.579 3.960 0.000 0.000 0.333 428 G HA3 0.619 4.579 3.960 0.000 0.000 0.333 428 G C -0.732 174.104 174.900 -0.107 0.000 1.143 428 G CA -0.728 44.383 45.100 0.018 0.000 0.914 428 G HN 0.068 nan 8.290 nan 0.000 0.480 429 R N 1.471 121.852 120.500 -0.198 0.000 2.575 429 R HA 0.460 4.800 4.340 0.000 0.000 0.293 429 R C -1.123 175.157 176.300 -0.034 0.000 0.983 429 R CA -0.845 55.096 56.100 -0.264 0.000 0.887 429 R CB 2.237 32.106 30.300 -0.718 0.000 1.184 429 R HN 0.559 nan 8.270 nan 0.000 0.445 430 N N 1.369 120.073 118.700 0.007 0.000 2.357 430 N HA 0.324 5.065 4.740 0.000 0.000 0.284 430 N C -1.309 174.099 175.510 -0.170 0.000 1.236 430 N CA -0.808 52.171 53.050 -0.118 0.000 0.774 430 N CB 2.544 40.864 38.487 -0.280 0.000 1.534 430 N HN 0.248 nan 8.380 nan 0.000 0.478 431 L N 1.957 122.926 121.223 -0.423 0.000 2.305 431 L HA 0.487 4.827 4.340 0.000 0.000 0.281 431 L C -1.410 175.122 176.870 -0.564 0.000 1.085 431 L CA 0.058 54.687 54.840 -0.352 0.000 0.813 431 L CB -0.103 41.742 42.059 -0.356 0.000 1.157 431 L HN 0.419 nan 8.230 nan 0.000 0.436 432 Y N 3.260 123.223 120.300 -0.562 0.000 2.576 432 Y HA 0.634 5.184 4.550 0.000 0.000 0.346 432 Y C -0.574 174.923 175.900 -0.671 0.000 1.018 432 Y CA -0.875 56.808 58.100 -0.696 0.000 1.050 432 Y CB 1.808 39.627 38.460 -1.068 0.000 1.280 432 Y HN 0.578 nan 8.280 nan 0.000 0.474 433 K N 2.076 122.286 120.400 -0.316 0.000 2.482 433 K HA 0.723 5.043 4.320 0.000 0.000 0.251 433 K C -1.971 174.580 176.600 -0.083 0.000 0.936 433 K CA -0.688 55.363 56.287 -0.393 0.000 0.791 433 K CB 2.661 34.721 32.500 -0.733 0.000 1.213 433 K HN 0.742 nan 8.250 nan 0.000 0.428 434 I N 2.290 122.882 120.570 0.036 0.000 2.433 434 I HA 0.179 4.350 4.170 0.000 0.000 0.292 434 I C -0.674 175.505 176.117 0.104 0.000 1.001 434 I CA -0.805 60.579 61.300 0.141 0.000 1.119 434 I CB 1.958 40.060 38.000 0.169 0.000 1.289 434 I HN 0.883 nan 8.210 nan 0.000 0.438 435 Q N 5.435 125.268 119.800 0.055 0.000 2.286 435 Q HA 0.101 4.442 4.340 0.000 0.000 0.267 435 Q C -0.040 175.870 176.000 -0.151 0.000 1.028 435 Q CA -0.394 55.242 55.803 -0.279 0.000 0.901 435 Q CB 1.102 29.709 28.738 -0.217 0.000 1.183 435 Q HN 0.757 nan 8.270 nan 0.000 0.392 436 L N 3.165 124.236 121.223 -0.252 0.000 2.549 436 L HA -0.064 4.277 4.340 0.000 0.000 0.229 436 L C 1.502 178.253 176.870 -0.198 0.000 1.158 436 L CA 1.155 55.934 54.840 -0.103 0.000 0.842 436 L CB -0.163 41.815 42.059 -0.135 0.000 0.952 436 L HN 0.589 nan 8.230 nan 0.000 0.452 437 S N -2.117 113.430 115.700 -0.256 0.000 2.499 437 S HA 0.102 4.572 4.470 0.000 0.000 0.225 437 S C 0.495 174.910 174.600 -0.308 0.000 1.050 437 S CA -0.004 58.039 58.200 -0.261 0.000 0.928 437 S CB 0.439 63.518 63.200 -0.202 0.000 0.803 437 S HN 0.335 nan 8.310 nan 0.000 0.506 438 D N 0.021 120.265 120.400 -0.259 0.000 2.336 438 D HA 0.247 4.887 4.640 0.000 0.000 0.248 438 D C -0.497 175.766 176.300 -0.062 0.000 1.326 438 D CA -0.545 53.334 54.000 -0.201 0.000 0.973 438 D CB 0.275 41.008 40.800 -0.111 0.000 1.255 438 D HN -0.057 nan 8.370 nan 0.000 0.558 439 Y N 1.479 121.748 120.300 -0.053 0.000 2.651 439 Y HA -0.052 4.498 4.550 0.000 0.000 0.296 439 Y C 2.354 178.253 175.900 -0.002 0.000 1.150 439 Y CA 0.631 58.714 58.100 -0.028 0.000 1.348 439 Y CB -0.591 37.855 38.460 -0.024 0.000 0.983 439 Y HN 0.331 nan 8.280 nan 0.000 0.555 440 T N -0.500 114.124 114.554 0.118 0.000 3.023 440 T HA -0.022 4.328 4.350 0.000 0.000 0.266 440 T C 0.858 175.602 174.700 0.073 0.000 1.093 440 T CA 0.513 62.660 62.100 0.079 0.000 1.129 440 T CB -0.094 68.795 68.868 0.035 0.000 0.899 440 T HN 0.159 nan 8.240 nan 0.000 0.491 441 K N 2.232 122.673 120.400 0.069 0.000 2.222 441 K HA 0.360 4.680 4.320 0.000 0.000 0.243 441 K C -0.919 175.745 176.600 0.107 0.000 1.160 441 K CA -0.179 56.151 56.287 0.071 0.000 1.090 441 K CB 0.986 33.514 32.500 0.048 0.000 1.694 441 K HN 0.053 nan 8.250 nan 0.000 0.361 442 V N 2.091 122.071 119.914 0.110 0.000 2.398 442 V HA 0.348 4.469 4.120 0.000 0.000 0.286 442 V C -0.748 175.405 176.094 0.098 0.000 1.026 442 V CA -0.032 62.347 62.300 0.131 0.000 0.868 442 V CB 1.666 33.590 31.823 0.169 0.000 0.982 442 V HN 0.499 nan 8.190 nan 0.000 0.443 443 T N 6.206 120.789 114.554 0.049 0.000 2.829 443 T HA 0.316 4.666 4.350 0.000 0.000 0.280 443 T C -0.573 174.032 174.700 -0.158 0.000 0.999 443 T CA -0.275 61.801 62.100 -0.040 0.000 0.983 443 T CB 1.153 69.973 68.868 -0.080 0.000 0.968 443 T HN 0.897 nan 8.240 nan 0.000 0.446 444 C N 5.119 124.247 119.300 -0.286 0.000 2.325 444 C HA 0.460 4.920 4.460 0.000 0.000 0.347 444 C C 1.638 176.301 174.990 -0.544 0.000 1.263 444 C CA -0.586 58.004 59.018 -0.715 0.000 1.806 444 C CB -1.803 25.436 27.740 -0.835 0.000 2.405 444 C HN 0.991 nan 8.230 nan 0.000 0.537 445 L N 4.540 125.418 121.223 -0.576 0.000 2.375 445 L HA 0.074 4.414 4.340 0.000 0.000 0.215 445 L C 2.246 178.815 176.870 -0.502 0.000 1.108 445 L CA 1.005 55.589 54.840 -0.427 0.000 0.830 445 L CB -0.230 41.622 42.059 -0.344 0.000 0.959 445 L HN 0.880 nan 8.230 nan 0.000 0.457 446 S N -2.823 112.464 115.700 -0.688 0.000 2.524 446 S HA -0.021 4.450 4.470 0.000 0.000 0.222 446 S C 1.937 176.173 174.600 -0.607 0.000 1.040 446 S CA -0.050 57.653 58.200 -0.829 0.000 0.915 446 S CB -0.379 61.871 63.200 -1.583 0.000 0.831 446 S HN 0.302 nan 8.310 nan 0.000 0.492 447 C N 2.286 121.178 119.300 -0.680 0.000 2.349 447 C HA -0.097 4.363 4.460 0.000 0.000 0.274 447 C C 2.653 177.366 174.990 -0.461 0.000 1.178 447 C CA 1.681 60.215 59.018 -0.808 0.000 1.769 447 C CB -1.191 25.831 27.740 -1.197 0.000 2.047 447 C HN 0.589 nan 8.230 nan 0.000 0.448 448 E N 0.036 120.044 120.200 -0.320 0.000 2.478 448 E HA 0.126 4.476 4.350 0.000 0.000 0.194 448 E C 1.968 178.518 176.600 -0.083 0.000 1.045 448 E CA 0.040 56.351 56.400 -0.148 0.000 0.868 448 E CB -0.315 29.316 29.700 -0.116 0.000 0.885 448 E HN 0.573 nan 8.360 nan 0.000 0.505 449 L N 0.275 121.443 121.223 -0.092 0.000 2.043 449 L HA -0.143 4.197 4.340 0.000 0.000 0.212 449 L C 0.936 177.814 176.870 0.013 0.000 1.075 449 L CA 1.067 55.892 54.840 -0.025 0.000 0.752 449 L CB -0.021 42.039 42.059 0.002 0.000 0.891 449 L HN 0.141 nan 8.230 nan 0.000 0.432 450 N N -1.828 116.891 118.700 0.032 0.000 3.091 450 N HA 0.037 4.777 4.740 0.000 0.000 0.185 450 N C -2.079 173.456 175.510 0.041 0.000 1.398 450 N CA -0.595 52.473 53.050 0.030 0.000 0.938 450 N CB 0.512 39.013 38.487 0.024 0.000 1.605 450 N HN -0.173 nan 8.380 nan 0.000 0.597 451 P HA -0.182 nan 4.420 nan 0.000 0.217 451 P C 0.980 178.324 177.300 0.074 0.000 1.148 451 P CA 1.156 64.309 63.100 0.088 0.000 0.834 451 P CB 0.694 32.463 31.700 0.115 0.000 0.783 452 E N -0.107 120.119 120.200 0.043 0.000 2.015 452 E HA -0.159 4.191 4.350 0.000 0.000 0.191 452 E C 2.327 178.933 176.600 0.010 0.000 0.991 452 E CA 1.047 57.463 56.400 0.027 0.000 0.802 452 E CB -0.380 29.328 29.700 0.014 0.000 0.759 452 E HN 0.274 nan 8.360 nan 0.000 0.447 453 R N -0.394 120.099 120.500 -0.011 0.000 2.161 453 R HA 0.036 4.376 4.340 0.000 0.000 0.213 453 R C 0.089 176.348 176.300 -0.070 0.000 1.055 453 R CA 0.487 56.558 56.100 -0.047 0.000 0.996 453 R CB 0.316 30.575 30.300 -0.067 0.000 0.901 453 R HN 0.051 nan 8.270 nan 0.000 0.456 454 c N 0.890 119.459 118.600 -0.052 0.000 2.340 454 c HA 0.427 4.997 4.570 0.000 0.000 0.323 454 c C -0.014 174.072 174.090 -0.008 0.000 1.260 454 c CA -0.660 55.593 56.329 -0.127 0.000 1.464 454 c CB 1.487 43.873 42.510 -0.207 0.000 2.156 454 c HN 0.533 nan 8.230 nan 0.000 0.476 455 Q N 0.483 120.273 119.800 -0.016 0.000 2.036 455 Q HA 0.186 4.527 4.340 0.000 0.000 0.208 455 Q C -1.083 175.001 176.000 0.141 0.000 0.770 455 Q CA 0.020 55.892 55.803 0.114 0.000 0.992 455 Q CB 1.311 30.125 28.738 0.127 0.000 1.209 455 Q HN 0.800 nan 8.270 nan 0.000 0.445 456 Y N 0.336 120.549 120.300 -0.144 0.000 2.315 456 Y HA 0.430 4.981 4.550 0.000 0.000 0.324 456 Y C -1.700 174.063 175.900 -0.229 0.000 1.062 456 Y CA -1.003 57.036 58.100 -0.102 0.000 1.159 456 Y CB 0.979 39.384 38.460 -0.093 0.000 1.145 456 Y HN -0.084 nan 8.280 nan 0.000 0.442 457 Y N 2.209 122.444 120.300 -0.108 0.000 2.570 457 Y HA 0.718 5.268 4.550 0.000 0.000 0.345 457 Y C -0.055 175.804 175.900 -0.068 0.000 1.014 457 Y CA -0.746 57.316 58.100 -0.062 0.000 1.063 457 Y CB 2.457 40.854 38.460 -0.106 0.000 1.272 457 Y HN 0.521 nan 8.280 nan 0.000 0.477 458 S N 0.372 116.186 115.700 0.190 0.000 2.627 458 S HA 0.880 5.350 4.470 0.000 0.000 0.283 458 S C -1.660 173.035 174.600 0.157 0.000 1.127 458 S CA -0.781 57.510 58.200 0.152 0.000 0.863 458 S CB 1.892 65.192 63.200 0.165 0.000 1.121 458 S HN 0.643 nan 8.310 nan 0.000 0.479 459 V N 0.264 120.274 119.914 0.160 0.000 3.114 459 V HA 0.873 4.994 4.120 0.000 0.000 0.308 459 V C -1.286 174.923 176.094 0.192 0.000 1.168 459 V CA -0.302 62.078 62.300 0.132 0.000 1.015 459 V CB 2.372 34.233 31.823 0.063 0.000 1.050 459 V HN 1.198 nan 8.190 nan 0.000 0.433 460 S N 4.237 120.034 115.700 0.161 0.000 2.789 460 S HA 0.664 5.134 4.470 0.000 0.000 0.286 460 S C -1.186 173.543 174.600 0.214 0.000 1.153 460 S CA -0.385 57.994 58.200 0.297 0.000 1.084 460 S CB 0.305 63.741 63.200 0.392 0.000 1.036 460 S HN 0.478 nan 8.310 nan 0.000 0.484 461 F N 2.861 122.835 119.950 0.040 0.000 2.370 461 F HA 0.489 5.016 4.527 0.000 0.000 0.324 461 F C 1.438 176.824 175.800 -0.690 0.000 1.116 461 F CA -0.287 57.566 58.000 -0.246 0.000 1.123 461 F CB 1.271 40.115 39.000 -0.260 0.000 1.238 461 F HN 0.615 nan 8.300 nan 0.000 0.536 462 S N 1.310 116.435 115.700 -0.959 0.000 2.661 462 S HA 0.246 4.716 4.470 0.000 0.000 0.265 462 S C 1.170 175.573 174.600 -0.329 0.000 1.225 462 S CA -0.842 56.642 58.200 -1.194 0.000 0.986 462 S CB 0.852 63.307 63.200 -1.241 0.000 1.008 462 S HN 0.483 nan 8.310 nan 0.000 0.565 463 K N 1.074 121.407 120.400 -0.112 0.000 2.052 463 K HA -0.144 4.176 4.320 0.000 0.000 0.215 463 K C 1.303 177.898 176.600 -0.008 0.000 1.053 463 K CA 1.809 58.104 56.287 0.014 0.000 0.934 463 K CB -0.599 31.949 32.500 0.082 0.000 0.717 463 K HN 0.705 nan 8.250 nan 0.000 0.450 464 E N -1.010 119.161 120.200 -0.048 0.000 2.465 464 E HA 0.242 4.592 4.350 0.000 0.000 0.195 464 E C 0.182 176.744 176.600 -0.064 0.000 1.028 464 E CA 0.348 56.728 56.400 -0.033 0.000 0.899 464 E CB 0.534 30.222 29.700 -0.020 0.000 1.032 464 E HN 0.271 nan 8.360 nan 0.000 0.468 465 A N 1.389 124.152 122.820 -0.095 0.000 2.925 465 A HA -0.309 4.011 4.320 0.000 0.000 0.265 465 A C 1.429 178.958 177.584 -0.091 0.000 1.419 465 A CA 1.562 53.569 52.037 -0.051 0.000 0.807 465 A CB -2.261 16.645 19.000 -0.156 0.000 1.043 465 A HN 0.261 nan 8.150 nan 0.000 0.600 466 K N -1.656 118.622 120.400 -0.202 0.000 2.167 466 K HA 0.147 4.467 4.320 0.000 0.000 0.203 466 K C 0.294 176.541 176.600 -0.589 0.000 1.052 466 K CA 1.481 57.537 56.287 -0.384 0.000 0.956 466 K CB -0.003 32.213 32.500 -0.474 0.000 0.735 466 K HN 0.683 nan 8.250 nan 0.000 0.451 467 Y N -1.150 119.027 120.300 -0.204 0.000 2.602 467 Y HA 0.359 4.909 4.550 0.000 0.000 0.342 467 Y C -1.085 174.661 175.900 -0.257 0.000 1.029 467 Y CA -1.284 56.700 58.100 -0.194 0.000 1.080 467 Y CB 1.756 40.118 38.460 -0.164 0.000 1.284 467 Y HN -0.025 nan 8.280 nan 0.000 0.485 468 Y N -1.062 119.138 120.300 -0.166 0.000 2.480 468 Y HA 0.416 4.966 4.550 0.000 0.000 0.329 468 Y C -1.364 174.499 175.900 -0.062 0.000 1.127 468 Y CA -1.469 56.364 58.100 -0.447 0.000 1.037 468 Y CB 1.174 38.792 38.460 -1.404 0.000 1.320 468 Y HN 0.609 nan 8.280 nan 0.000 0.446 469 Q N 4.524 124.412 119.800 0.146 0.000 2.278 469 Q HA 0.537 4.877 4.340 0.000 0.000 0.257 469 Q C -1.616 174.446 176.000 0.103 0.000 0.928 469 Q CA -0.645 55.228 55.803 0.118 0.000 0.932 469 Q CB 1.231 30.041 28.738 0.120 0.000 1.221 469 Q HN 0.976 nan 8.270 nan 0.000 0.434 470 L N 4.517 125.809 121.223 0.115 0.000 2.325 470 L HA 0.506 4.846 4.340 0.000 0.000 0.279 470 L C -0.213 176.725 176.870 0.115 0.000 1.054 470 L CA -0.540 54.376 54.840 0.127 0.000 0.804 470 L CB 1.165 43.281 42.059 0.095 0.000 1.200 470 L HN 0.653 nan 8.230 nan 0.000 0.436 471 R N 2.692 123.255 120.500 0.106 0.000 2.412 471 R HA 0.297 4.637 4.340 0.000 0.000 0.304 471 R C -1.044 175.123 176.300 -0.221 0.000 1.066 471 R CA -0.528 55.464 56.100 -0.179 0.000 0.923 471 R CB 1.513 31.770 30.300 -0.071 0.000 1.156 471 R HN 0.560 nan 8.270 nan 0.000 0.513 472 c N 2.669 121.000 118.600 -0.448 0.000 2.369 472 c HA 0.464 5.034 4.570 0.000 0.000 0.358 472 c C 1.254 175.110 174.090 -0.391 0.000 1.274 472 c CA -0.231 55.716 56.329 -0.636 0.000 1.935 472 c CB 0.357 42.413 42.510 -0.757 0.000 2.431 472 c HN 0.950 nan 8.230 nan 0.000 0.545 473 S N 3.624 119.182 115.700 -0.236 0.000 2.809 473 S HA 0.648 5.119 4.470 0.000 0.000 0.248 473 S C 0.109 174.659 174.600 -0.084 0.000 1.071 473 S CA 0.208 58.334 58.200 -0.124 0.000 1.059 473 S CB -0.118 63.042 63.200 -0.068 0.000 0.923 473 S HN 2.142 nan 8.310 nan 0.000 0.516 474 G N 2.119 110.861 108.800 -0.098 0.000 2.350 474 G HA2 0.309 4.269 3.960 0.000 0.000 0.305 474 G HA3 0.309 4.269 3.960 0.000 0.000 0.305 474 G C -3.007 171.872 174.900 -0.034 0.000 1.479 474 G CA -0.464 44.620 45.100 -0.026 0.000 0.949 474 G HN -0.091 nan 8.290 nan 0.000 0.651 475 P HA 0.108 nan 4.420 nan 0.000 0.229 475 P C 1.324 178.660 177.300 0.061 0.000 1.160 475 P CA 1.459 64.593 63.100 0.056 0.000 0.777 475 P CB 0.332 32.061 31.700 0.049 0.000 0.814 476 G N 0.392 109.153 108.800 -0.065 0.000 2.508 476 G HA2 0.402 4.362 3.960 0.000 0.000 0.278 476 G HA3 0.402 4.362 3.960 0.000 0.000 0.278 476 G C -0.236 174.418 174.900 -0.410 0.000 1.389 476 G CA -0.741 44.234 45.100 -0.208 0.000 1.050 476 G HN 0.038 nan 8.290 nan 0.000 0.522 477 L N 1.123 122.024 121.223 -0.536 0.000 2.456 477 L HA 0.166 4.507 4.340 0.000 0.000 0.272 477 L C -1.854 174.861 176.870 -0.258 0.000 1.189 477 L CA -1.311 53.199 54.840 -0.550 0.000 0.846 477 L CB 0.660 42.467 42.059 -0.421 0.000 1.111 477 L HN 0.241 nan 8.230 nan 0.000 0.475 478 P HA -0.043 nan 4.420 nan 0.000 0.264 478 P C -0.933 176.303 177.300 -0.106 0.000 1.173 478 P CA 0.167 63.200 63.100 -0.111 0.000 0.761 478 P CB 0.431 32.165 31.700 0.057 0.000 0.794 479 L N 5.184 126.251 121.223 -0.259 0.000 2.439 479 L HA 0.468 4.809 4.340 0.000 0.000 0.270 479 L C -1.813 174.886 176.870 -0.285 0.000 0.972 479 L CA -0.702 54.044 54.840 -0.157 0.000 0.836 479 L CB 0.915 42.898 42.059 -0.126 0.000 1.255 479 L HN 0.207 nan 8.230 nan 0.000 0.404 480 Y N 2.848 123.113 120.300 -0.059 0.000 2.331 480 Y HA 0.752 5.303 4.550 0.000 0.000 0.338 480 Y C 0.541 176.345 175.900 -0.159 0.000 0.992 480 Y CA -0.467 57.579 58.100 -0.089 0.000 1.121 480 Y CB 2.024 40.408 38.460 -0.128 0.000 1.184 480 Y HN 0.682 nan 8.280 nan 0.000 0.469 481 T N 1.497 116.053 114.554 0.003 0.000 2.906 481 T HA 0.696 5.046 4.350 0.000 0.000 0.295 481 T C -1.301 173.305 174.700 -0.157 0.000 1.075 481 T CA -0.927 61.111 62.100 -0.103 0.000 1.005 481 T CB 1.794 70.655 68.868 -0.012 0.000 1.136 481 T HN 0.578 nan 8.240 nan 0.000 0.498 482 L N 1.945 122.930 121.223 -0.395 0.000 2.341 482 L HA 0.660 5.000 4.340 0.000 0.000 0.278 482 L C -1.213 175.289 176.870 -0.613 0.000 1.005 482 L CA -0.752 53.896 54.840 -0.321 0.000 0.818 482 L CB 1.409 43.332 42.059 -0.227 0.000 1.259 482 L HN 0.906 nan 8.230 nan 0.000 0.418 483 H N 0.544 119.369 119.070 -0.408 0.000 2.946 483 H HA 0.503 5.059 4.556 0.000 0.000 0.365 483 H C -0.655 174.457 175.328 -0.359 0.000 1.197 483 H CA -0.808 54.930 56.048 -0.518 0.000 1.131 483 H CB 1.929 31.082 29.762 -1.014 0.000 1.849 483 H HN 0.441 nan 8.280 nan 0.000 0.555 484 S N -0.254 115.396 115.700 -0.082 0.000 2.449 484 S HA 0.271 4.741 4.470 0.000 0.000 0.310 484 S C 0.346 174.929 174.600 -0.028 0.000 1.096 484 S CA -0.637 57.491 58.200 -0.120 0.000 1.095 484 S CB 1.476 64.603 63.200 -0.122 0.000 1.007 484 S HN 0.617 nan 8.310 nan 0.000 0.474 485 S N 2.410 118.120 115.700 0.017 0.000 2.447 485 S HA -0.113 4.357 4.470 0.000 0.000 0.233 485 S C 1.801 176.415 174.600 0.024 0.000 1.006 485 S CA 0.737 59.015 58.200 0.129 0.000 0.957 485 S CB -0.577 62.666 63.200 0.071 0.000 0.773 485 S HN 0.719 nan 8.310 nan 0.000 0.507 486 V N 2.623 122.512 119.914 -0.043 0.000 2.324 486 V HA -0.223 3.897 4.120 0.000 0.000 0.250 486 V C 0.900 176.991 176.094 -0.005 0.000 1.060 486 V CA 2.197 64.483 62.300 -0.023 0.000 1.042 486 V CB -0.477 31.321 31.823 -0.042 0.000 0.650 486 V HN 0.628 nan 8.190 nan 0.000 0.450 487 N N -1.263 117.435 118.700 -0.004 0.000 2.232 487 N HA 0.153 4.893 4.740 0.000 0.000 0.240 487 N C -0.688 174.828 175.510 0.010 0.000 1.307 487 N CA 0.360 53.410 53.050 0.001 0.000 0.859 487 N CB 0.625 39.114 38.487 0.003 0.000 1.260 487 N HN 0.356 nan 8.380 nan 0.000 0.501 488 D N 1.190 121.614 120.400 0.040 0.000 2.751 488 D HA -0.184 4.456 4.640 0.000 0.000 0.233 488 D C -0.163 176.169 176.300 0.053 0.000 1.149 488 D CA 1.153 55.200 54.000 0.079 0.000 0.682 488 D CB -0.715 40.109 40.800 0.040 0.000 1.068 488 D HN 0.409 nan 8.370 nan 0.000 0.429 489 K N 0.239 120.655 120.400 0.028 0.000 2.350 489 K HA 0.301 4.621 4.320 0.000 0.000 0.279 489 K C 1.013 177.610 176.600 -0.005 0.000 1.027 489 K CA 0.262 56.553 56.287 0.007 0.000 0.969 489 K CB 0.747 33.242 32.500 -0.007 0.000 0.954 489 K HN 0.161 nan 8.250 nan 0.000 0.474 490 G N 4.603 113.385 108.800 -0.030 0.000 2.807 490 G HA2 0.140 4.100 3.960 0.000 0.000 0.316 490 G HA3 0.140 4.100 3.960 0.000 0.000 0.316 490 G C 0.975 175.735 174.900 -0.234 0.000 0.900 490 G CA -0.367 44.627 45.100 -0.176 0.000 1.499 490 G HN 0.628 nan 8.290 nan 0.000 0.484 491 L N 1.153 122.208 121.223 -0.281 0.000 1.956 491 L HA 0.025 4.365 4.340 0.000 0.000 0.216 491 L C 1.718 178.480 176.870 -0.180 0.000 1.073 491 L CA 1.440 56.172 54.840 -0.179 0.000 0.762 491 L CB -0.362 41.614 42.059 -0.138 0.000 0.889 491 L HN 0.689 nan 8.230 nan 0.000 0.433 492 R N -2.422 117.926 120.500 -0.252 0.000 2.709 492 R HA 0.434 4.775 4.340 0.000 0.000 0.270 492 R C -1.493 174.664 176.300 -0.238 0.000 1.038 492 R CA -0.951 55.028 56.100 -0.202 0.000 0.872 492 R CB 1.252 31.466 30.300 -0.144 0.000 1.259 492 R HN -0.248 nan 8.270 nan 0.000 0.473 493 V N 3.127 122.933 119.914 -0.181 0.000 2.508 493 V HA 0.098 4.218 4.120 0.000 0.000 0.281 493 V C 1.364 177.321 176.094 -0.228 0.000 1.041 493 V CA -0.138 62.060 62.300 -0.169 0.000 1.016 493 V CB 0.870 32.630 31.823 -0.105 0.000 0.984 493 V HN 0.647 nan 8.190 nan 0.000 0.478 494 L N 2.374 123.412 121.223 -0.308 0.000 2.200 494 L HA 0.303 4.643 4.340 0.000 0.000 0.200 494 L C 0.743 177.412 176.870 -0.335 0.000 1.072 494 L CA 0.689 55.189 54.840 -0.567 0.000 0.787 494 L CB 0.193 41.614 42.059 -1.063 0.000 0.957 494 L HN 0.687 nan 8.230 nan 0.000 0.459 495 E N 0.006 120.135 120.200 -0.118 0.000 2.307 495 E HA 0.100 4.450 4.350 0.000 0.000 0.280 495 E C -1.182 175.482 176.600 0.106 0.000 0.900 495 E CA -0.399 56.017 56.400 0.026 0.000 0.790 495 E CB 1.153 30.874 29.700 0.036 0.000 1.261 495 E HN 0.200 nan 8.360 nan 0.000 0.405 496 D N 2.849 123.278 120.400 0.049 0.000 2.398 496 D HA 0.148 4.788 4.640 0.000 0.000 0.210 496 D C -0.175 176.138 176.300 0.022 0.000 1.094 496 D CA -0.224 53.793 54.000 0.030 0.000 0.839 496 D CB 0.028 40.824 40.800 -0.006 0.000 0.963 496 D HN 0.425 nan 8.370 nan 0.000 0.506 497 N N 0.232 118.960 118.700 0.046 0.000 2.714 497 N HA -0.242 4.498 4.740 0.000 0.000 0.250 497 N C 1.042 176.556 175.510 0.006 0.000 1.117 497 N CA 0.969 54.038 53.050 0.032 0.000 0.719 497 N CB -1.413 37.084 38.487 0.017 0.000 1.081 497 N HN 0.497 nan 8.380 nan 0.000 0.557 498 S N -0.982 114.722 115.700 0.006 0.000 2.387 498 S HA -0.134 4.337 4.470 0.000 0.000 0.230 498 S C 2.089 176.697 174.600 0.013 0.000 1.035 498 S CA 1.249 59.450 58.200 0.000 0.000 1.014 498 S CB -0.250 62.952 63.200 0.002 0.000 0.836 498 S HN 0.530 nan 8.310 nan 0.000 0.466 499 A N 2.179 125.016 122.820 0.028 0.000 1.845 499 A HA 0.056 4.376 4.320 0.000 0.000 0.215 499 A C 2.265 179.883 177.584 0.057 0.000 1.195 499 A CA 1.634 53.698 52.037 0.044 0.000 0.616 499 A CB -1.085 17.947 19.000 0.052 0.000 0.832 499 A HN 0.517 nan 8.150 nan 0.000 0.443 500 L N 0.423 121.683 121.223 0.062 0.000 2.079 500 L HA -0.202 4.138 4.340 0.000 0.000 0.210 500 L C 1.976 178.865 176.870 0.033 0.000 1.081 500 L CA 2.832 57.721 54.840 0.082 0.000 0.752 500 L CB -0.712 41.395 42.059 0.081 0.000 0.896 500 L HN 0.571 nan 8.230 nan 0.000 0.433 501 D N -0.797 119.597 120.400 -0.009 0.000 2.088 501 D HA -0.237 4.403 4.640 0.000 0.000 0.191 501 D C 2.040 178.332 176.300 -0.013 0.000 0.992 501 D CA 1.548 55.525 54.000 -0.040 0.000 0.831 501 D CB 0.026 40.797 40.800 -0.050 0.000 0.973 501 D HN 0.118 nan 8.370 nan 0.000 0.447 502 K N -0.144 120.261 120.400 0.008 0.000 2.113 502 K HA -0.190 4.130 4.320 0.000 0.000 0.208 502 K C 2.232 178.855 176.600 0.039 0.000 1.047 502 K CA 0.976 57.276 56.287 0.021 0.000 0.928 502 K CB -0.551 31.966 32.500 0.028 0.000 0.716 502 K HN 0.403 nan 8.250 nan 0.000 0.446 503 M N 0.406 120.044 119.600 0.063 0.000 2.123 503 M HA -0.095 4.385 4.480 0.000 0.000 0.263 503 M C 1.968 178.300 176.300 0.054 0.000 1.069 503 M CA 1.301 56.669 55.300 0.113 0.000 1.133 503 M CB 0.020 32.744 32.600 0.206 0.000 1.356 503 M HN 0.008 nan 8.290 nan 0.000 0.415 504 L N 0.310 121.513 121.223 -0.032 0.000 2.275 504 L HA -0.194 4.146 4.340 0.000 0.000 0.215 504 L C 2.475 179.302 176.870 -0.072 0.000 1.119 504 L CA 1.069 55.825 54.840 -0.141 0.000 0.790 504 L CB -0.723 41.252 42.059 -0.139 0.000 0.919 504 L HN 0.540 nan 8.230 nan 0.000 0.443 505 Q N -1.111 118.674 119.800 -0.026 0.000 2.488 505 Q HA -0.132 4.208 4.340 0.000 0.000 0.211 505 Q C 1.083 177.091 176.000 0.013 0.000 0.967 505 Q CA 0.840 56.639 55.803 -0.008 0.000 0.926 505 Q CB -0.202 28.536 28.738 0.001 0.000 0.992 505 Q HN 0.395 nan 8.270 nan 0.000 0.506 506 N N 0.833 119.546 118.700 0.021 0.000 2.270 506 N HA 0.090 4.830 4.740 0.000 0.000 0.198 506 N C -0.779 174.764 175.510 0.055 0.000 1.117 506 N CA 0.201 53.281 53.050 0.049 0.000 0.845 506 N CB 1.505 40.036 38.487 0.073 0.000 0.980 506 N HN 0.219 nan 8.380 nan 0.000 0.486 507 V N 0.380 120.309 119.914 0.023 0.000 2.709 507 V HA 0.300 4.420 4.120 0.000 0.000 0.308 507 V C -0.825 175.276 176.094 0.013 0.000 1.062 507 V CA -0.812 61.510 62.300 0.037 0.000 0.901 507 V CB 2.109 33.951 31.823 0.031 0.000 1.003 507 V HN -0.030 nan 8.190 nan 0.000 0.425 508 Q N 6.276 126.091 119.800 0.024 0.000 2.442 508 Q HA 0.228 4.569 4.340 0.000 0.000 0.244 508 Q C -0.180 175.787 176.000 -0.056 0.000 1.302 508 Q CA 0.154 55.934 55.803 -0.039 0.000 0.889 508 Q CB 0.230 28.935 28.738 -0.055 0.000 1.578 508 Q HN 0.623 nan 8.270 nan 0.000 0.526 509 M N 3.806 123.366 119.600 -0.068 0.000 2.255 509 M HA 0.352 4.832 4.480 0.000 0.000 0.336 509 M C -1.955 174.281 176.300 -0.107 0.000 1.135 509 M CA -2.319 52.934 55.300 -0.079 0.000 1.145 509 M CB 0.121 32.679 32.600 -0.069 0.000 1.473 509 M HN 0.321 nan 8.290 nan 0.000 0.462 510 P HA 0.287 nan 4.420 nan 0.000 0.278 510 P C -0.871 176.355 177.300 -0.123 0.000 1.266 510 P CA -0.377 62.638 63.100 -0.141 0.000 0.807 510 P CB 0.882 32.483 31.700 -0.164 0.000 1.094 511 S N -0.347 115.271 115.700 -0.136 0.000 2.747 511 S HA 0.632 5.102 4.470 0.000 0.000 0.300 511 S C -0.507 174.011 174.600 -0.137 0.000 1.121 511 S CA -0.703 57.434 58.200 -0.106 0.000 0.995 511 S CB 1.609 64.755 63.200 -0.091 0.000 1.113 511 S HN 0.540 nan 8.310 nan 0.000 0.547 512 K N 0.329 120.671 120.400 -0.097 0.000 2.443 512 K HA 0.421 4.741 4.320 0.000 0.000 0.252 512 K C -1.570 174.991 176.600 -0.065 0.000 0.933 512 K CA -0.523 55.708 56.287 -0.094 0.000 0.792 512 K CB 1.516 33.975 32.500 -0.068 0.000 1.185 512 K HN 0.743 nan 8.250 nan 0.000 0.425 513 K N 6.027 126.384 120.400 -0.072 0.000 2.358 513 K HA 0.331 4.651 4.320 0.000 0.000 0.260 513 K C -1.321 175.278 176.600 -0.003 0.000 0.956 513 K CA -0.676 55.588 56.287 -0.039 0.000 0.834 513 K CB 1.067 33.524 32.500 -0.071 0.000 1.102 513 K HN 0.603 nan 8.250 nan 0.000 0.431 514 L N 3.933 125.171 121.223 0.026 0.000 2.309 514 L HA 0.460 4.800 4.340 0.000 0.000 0.282 514 L C -0.766 176.129 176.870 0.043 0.000 1.036 514 L CA -0.022 54.864 54.840 0.076 0.000 0.806 514 L CB 1.346 43.499 42.059 0.157 0.000 1.220 514 L HN 0.898 nan 8.230 nan 0.000 0.429 515 D N 2.241 122.554 120.400 -0.144 0.000 2.865 515 D HA 0.424 5.065 4.640 0.000 0.000 0.343 515 D C -1.638 174.309 176.300 -0.587 0.000 1.372 515 D CA -0.078 53.703 54.000 -0.365 0.000 0.862 515 D CB 1.602 42.099 40.800 -0.504 0.000 1.425 515 D HN 0.226 nan 8.370 nan 0.000 0.501 516 F N -0.281 119.303 119.950 -0.610 0.000 2.685 516 F HA 0.760 5.287 4.527 0.000 0.000 0.315 516 F C -0.953 174.876 175.800 0.049 0.000 1.126 516 F CA -1.030 56.726 58.000 -0.407 0.000 0.950 516 F CB 0.965 39.328 39.000 -1.061 0.000 1.360 516 F HN 0.370 nan 8.300 nan 0.000 0.469 517 I N -0.335 120.499 120.570 0.441 0.000 3.145 517 I HA 0.745 4.915 4.170 0.000 0.000 0.313 517 I C -1.553 174.801 176.117 0.396 0.000 1.122 517 I CA -1.387 60.113 61.300 0.332 0.000 0.987 517 I CB 2.624 40.788 38.000 0.273 0.000 1.236 517 I HN 0.654 nan 8.210 nan 0.000 0.453 518 I N 3.501 124.235 120.570 0.273 0.000 2.378 518 I HA 0.428 4.598 4.170 0.000 0.000 0.291 518 I C -0.847 175.407 176.117 0.229 0.000 0.992 518 I CA -0.611 60.839 61.300 0.250 0.000 1.154 518 I CB 1.870 39.974 38.000 0.174 0.000 1.315 518 I HN 0.349 nan 8.210 nan 0.000 0.448 519 L N 6.557 127.972 121.223 0.320 0.000 2.325 519 L HA 0.344 4.684 4.340 0.000 0.000 0.281 519 L C -0.220 176.772 176.870 0.203 0.000 1.004 519 L CA -0.980 54.010 54.840 0.250 0.000 0.823 519 L CB 1.448 43.685 42.059 0.297 0.000 1.236 519 L HN 0.775 nan 8.230 nan 0.000 0.415 520 N N 4.168 122.934 118.700 0.110 0.000 2.913 520 N HA -0.303 4.437 4.740 0.000 0.000 0.305 520 N C 0.256 175.813 175.510 0.077 0.000 1.084 520 N CA 1.131 54.225 53.050 0.074 0.000 0.811 520 N CB -0.357 38.158 38.487 0.047 0.000 0.984 520 N HN 0.846 nan 8.380 nan 0.000 0.605 521 E N -2.325 117.912 120.200 0.062 0.000 4.048 521 E HA -0.184 4.166 4.350 0.000 0.000 0.175 521 E C -0.236 176.370 176.600 0.009 0.000 1.124 521 E CA 2.048 58.467 56.400 0.033 0.000 2.528 521 E CB -1.883 27.828 29.700 0.020 0.000 1.693 521 E HN 0.743 nan 8.360 nan 0.000 0.505 522 T N 4.070 118.626 114.554 0.005 0.000 2.926 522 T HA 0.296 4.646 4.350 0.000 0.000 0.307 522 T C 0.534 175.097 174.700 -0.230 0.000 1.059 522 T CA 0.414 62.412 62.100 -0.170 0.000 1.122 522 T CB 0.633 69.315 68.868 -0.310 0.000 0.972 522 T HN 0.209 nan 8.240 nan 0.000 0.545 523 K N 1.979 122.135 120.400 -0.407 0.000 2.206 523 K HA 0.547 4.867 4.320 0.000 0.000 0.264 523 K C -1.528 174.767 176.600 -0.508 0.000 0.967 523 K CA -0.680 55.430 56.287 -0.295 0.000 0.844 523 K CB 1.026 33.268 32.500 -0.431 0.000 1.099 523 K HN 0.351 nan 8.250 nan 0.000 0.441 524 F N 1.809 121.805 119.950 0.076 0.000 2.493 524 F HA 0.372 4.899 4.527 0.000 0.000 0.329 524 F C -0.548 175.317 175.800 0.109 0.000 1.126 524 F CA -0.791 57.255 58.000 0.078 0.000 0.937 524 F CB 0.979 40.001 39.000 0.037 0.000 1.146 524 F HN 0.529 nan 8.300 nan 0.000 0.442 525 W N 3.255 124.698 121.300 0.238 0.000 2.161 525 W HA 0.449 5.110 4.660 0.000 0.000 0.344 525 W C -0.488 176.220 176.519 0.315 0.000 1.262 525 W CA -0.228 57.269 57.345 0.253 0.000 1.270 525 W CB 0.327 29.874 29.460 0.146 0.000 1.126 525 W HN 0.460 nan 8.180 nan 0.000 0.598 526 Y N -0.741 119.893 120.300 0.557 0.000 2.609 526 Y HA 0.576 5.126 4.550 0.000 0.000 0.336 526 Y C -1.065 175.072 175.900 0.395 0.000 1.129 526 Y CA -2.005 56.412 58.100 0.528 0.000 1.040 526 Y CB 0.858 39.789 38.460 0.786 0.000 1.310 526 Y HN 0.586 nan 8.280 nan 0.000 0.460 527 Q N 2.251 122.361 119.800 0.517 0.000 2.451 527 Q HA 0.811 5.151 4.340 0.000 0.000 0.281 527 Q C -1.757 174.401 176.000 0.263 0.000 1.099 527 Q CA -1.276 54.697 55.803 0.283 0.000 0.806 527 Q CB 3.440 32.279 28.738 0.169 0.000 1.419 527 Q HN 0.870 nan 8.270 nan 0.000 0.427 528 M N 2.368 122.031 119.600 0.104 0.000 2.149 528 M HA 0.354 4.834 4.480 0.000 0.000 0.273 528 M C -1.452 174.761 176.300 -0.146 0.000 0.972 528 M CA -0.712 54.562 55.300 -0.043 0.000 0.984 528 M CB 2.024 34.571 32.600 -0.088 0.000 1.699 528 M HN 0.618 nan 8.290 nan 0.000 0.462 529 I N 5.341 125.822 120.570 -0.149 0.000 2.421 529 I HA 0.233 4.403 4.170 0.000 0.000 0.291 529 I C -0.250 175.699 176.117 -0.281 0.000 1.089 529 I CA 0.066 61.254 61.300 -0.187 0.000 1.354 529 I CB -0.290 37.619 38.000 -0.152 0.000 1.413 529 I HN 0.640 nan 8.210 nan 0.000 0.513 530 L N 8.559 129.568 121.223 -0.357 0.000 2.307 530 L HA 0.435 4.775 4.340 0.000 0.000 0.282 530 L C -2.189 174.485 176.870 -0.328 0.000 1.051 530 L CA -1.865 52.667 54.840 -0.513 0.000 0.804 530 L CB 1.195 42.772 42.059 -0.803 0.000 1.197 530 L HN 0.264 nan 8.230 nan 0.000 0.431 531 P HA 0.104 nan 4.420 nan 0.000 0.269 531 P C -2.459 174.784 177.300 -0.096 0.000 1.209 531 P CA -0.932 62.081 63.100 -0.144 0.000 0.776 531 P CB -0.057 31.602 31.700 -0.069 0.000 0.876 532 P HA -0.071 nan 4.420 nan 0.000 0.265 532 P C -0.459 176.717 177.300 -0.206 0.000 1.187 532 P CA 0.665 63.591 63.100 -0.290 0.000 0.766 532 P CB -0.392 31.054 31.700 -0.423 0.000 0.820 533 H N -1.457 117.654 119.070 0.068 0.000 2.791 533 H HA -0.224 4.332 4.556 0.000 0.000 0.302 533 H C 0.036 175.429 175.328 0.108 0.000 1.198 533 H CA -0.453 55.639 56.048 0.074 0.000 1.145 533 H CB -2.242 27.555 29.762 0.059 0.000 1.385 533 H HN 0.328 nan 8.280 nan 0.000 0.409 534 F N 2.479 122.432 119.950 0.005 0.000 2.612 534 F HA 0.082 4.609 4.527 0.000 0.000 0.389 534 F C 0.619 176.436 175.800 0.029 0.000 1.055 534 F CA -0.015 57.939 58.000 -0.077 0.000 1.232 534 F CB 0.436 39.280 39.000 -0.259 0.000 1.044 534 F HN 0.304 nan 8.300 nan 0.000 0.560 535 D N 5.272 125.337 120.400 -0.558 0.000 2.453 535 D HA 0.173 4.813 4.640 0.000 0.000 0.238 535 D C 0.579 176.496 176.300 -0.639 0.000 1.088 535 D CA -0.624 53.117 54.000 -0.431 0.000 0.854 535 D CB 0.978 41.704 40.800 -0.124 0.000 1.076 535 D HN 0.610 nan 8.370 nan 0.000 0.533 536 K N 1.565 121.609 120.400 -0.593 0.000 2.520 536 K HA -0.155 4.165 4.320 0.000 0.000 0.197 536 K C 1.315 177.919 176.600 0.007 0.000 1.043 536 K CA 1.197 57.345 56.287 -0.231 0.000 0.944 536 K CB 0.060 32.574 32.500 0.023 0.000 0.770 536 K HN 0.190 nan 8.250 nan 0.000 0.480 537 S N 0.195 115.857 115.700 -0.063 0.000 2.439 537 S HA 0.013 4.483 4.470 0.000 0.000 0.224 537 S C 0.757 175.337 174.600 -0.035 0.000 1.029 537 S CA -0.166 58.019 58.200 -0.025 0.000 0.946 537 S CB 0.033 63.208 63.200 -0.042 0.000 0.797 537 S HN 0.380 nan 8.310 nan 0.000 0.504 538 K N 1.188 121.543 120.400 -0.076 0.000 2.138 538 K HA 0.245 4.565 4.320 0.000 0.000 0.251 538 K C -0.761 175.757 176.600 -0.136 0.000 1.015 538 K CA -0.231 55.950 56.287 -0.176 0.000 0.917 538 K CB 0.486 32.781 32.500 -0.343 0.000 1.021 538 K HN 0.105 nan 8.250 nan 0.000 0.485 539 K N 2.265 122.521 120.400 -0.240 0.000 2.274 539 K HA 0.257 4.577 4.320 0.000 0.000 0.262 539 K C -1.457 175.000 176.600 -0.238 0.000 0.961 539 K CA -0.608 55.621 56.287 -0.098 0.000 0.833 539 K CB 1.105 33.560 32.500 -0.076 0.000 1.102 539 K HN 0.363 nan 8.250 nan 0.000 0.436 540 Y N 2.422 122.765 120.300 0.071 0.000 2.468 540 Y HA 0.321 4.871 4.550 0.000 0.000 0.342 540 Y C -2.092 173.760 175.900 -0.080 0.000 1.021 540 Y CA -2.735 55.380 58.100 0.025 0.000 1.079 540 Y CB 1.115 39.647 38.460 0.121 0.000 1.226 540 Y HN 0.469 nan 8.280 nan 0.000 0.460 541 P HA 0.202 nan 4.420 nan 0.000 0.274 541 P C -1.074 176.092 177.300 -0.223 0.000 1.231 541 P CA -0.216 62.615 63.100 -0.449 0.000 0.790 541 P CB 1.770 32.859 31.700 -1.019 0.000 0.951 542 L N 2.751 123.864 121.223 -0.183 0.000 2.386 542 L HA 0.536 4.876 4.340 0.000 0.000 0.271 542 L C -1.171 175.864 176.870 0.276 0.000 0.993 542 L CA -1.065 53.809 54.840 0.056 0.000 0.819 542 L CB 1.705 43.780 42.059 0.028 0.000 1.294 542 L HN 0.256 nan 8.230 nan 0.000 0.414 543 L N 5.896 127.299 121.223 0.301 0.000 2.319 543 L HA 0.412 4.752 4.340 0.000 0.000 0.281 543 L C -1.240 175.831 176.870 0.335 0.000 1.005 543 L CA -0.862 54.209 54.840 0.386 0.000 0.828 543 L CB 1.766 44.005 42.059 0.301 0.000 1.227 543 L HN 0.643 nan 8.230 nan 0.000 0.415 544 L N 5.470 126.944 121.223 0.418 0.000 2.295 544 L HA 0.299 4.639 4.340 0.000 0.000 0.288 544 L C -0.214 176.872 176.870 0.361 0.000 1.079 544 L CA 0.133 55.203 54.840 0.383 0.000 0.830 544 L CB 0.552 42.909 42.059 0.497 0.000 1.200 544 L HN 0.492 nan 8.230 nan 0.000 0.438 545 D N 4.355 124.937 120.400 0.302 0.000 2.339 545 D HA 0.245 4.886 4.640 0.000 0.000 0.241 545 D C -0.882 175.489 176.300 0.118 0.000 1.183 545 D CA 0.125 54.229 54.000 0.172 0.000 0.859 545 D CB 1.230 42.191 40.800 0.268 0.000 1.067 545 D HN 0.345 nan 8.370 nan 0.000 0.484 546 V N 5.344 125.268 119.914 0.016 0.000 2.914 546 V HA 0.520 4.640 4.120 0.000 0.000 0.314 546 V C -1.119 175.072 176.094 0.162 0.000 1.084 546 V CA -0.429 61.949 62.300 0.130 0.000 0.963 546 V CB 1.873 33.787 31.823 0.152 0.000 1.025 546 V HN 0.643 nan 8.190 nan 0.000 0.432 547 Y N 4.722 125.092 120.300 0.117 0.000 3.266 547 Y HA 0.591 5.141 4.550 0.000 0.000 0.189 547 Y C 1.419 177.454 175.900 0.225 0.000 0.895 547 Y CA 1.349 59.544 58.100 0.158 0.000 1.706 547 Y CB -0.074 38.458 38.460 0.119 0.000 1.449 547 Y HN 1.419 nan 8.280 nan 0.000 0.391 548 A N 1.222 124.095 122.820 0.088 0.000 2.832 548 A HA -0.110 4.211 4.320 0.000 0.000 0.280 548 A C 0.833 178.196 177.584 -0.369 0.000 1.464 548 A CA 1.004 53.035 52.037 -0.011 0.000 0.804 548 A CB -2.329 16.752 19.000 0.135 0.000 1.020 548 A HN 1.054 nan 8.150 nan 0.000 0.563 549 G N -0.358 107.893 108.800 -0.916 0.000 2.572 549 G HA2 0.531 4.491 3.960 0.000 0.000 0.261 549 G HA3 0.531 4.491 3.960 0.000 0.000 0.261 549 G C -1.774 172.749 174.900 -0.629 0.000 1.197 549 G CA -0.747 43.522 45.100 -1.386 0.000 0.870 549 G HN 0.446 nan 8.290 nan 0.000 0.548 550 P HA 0.043 nan 4.420 nan 0.000 0.263 550 P C 0.345 177.488 177.300 -0.261 0.000 1.195 550 P CA 0.261 63.066 63.100 -0.491 0.000 0.762 550 P CB 0.612 31.659 31.700 -1.089 0.000 0.799 551 C N 2.802 122.038 119.300 -0.107 0.000 3.827 551 C HA -0.066 4.394 4.460 0.000 0.000 0.304 551 C C 0.415 175.454 174.990 0.082 0.000 1.201 551 C CA 0.999 59.944 59.018 -0.120 0.000 2.253 551 C CB -2.660 24.864 27.740 -0.360 0.000 1.398 551 C HN 0.851 nan 8.230 nan 0.000 0.601 552 S N 2.179 117.957 115.700 0.131 0.000 2.627 552 S HA 0.834 5.304 4.470 0.000 0.000 0.283 552 S C -1.126 173.641 174.600 0.278 0.000 1.127 552 S CA -0.444 57.942 58.200 0.310 0.000 0.863 552 S CB 2.079 65.573 63.200 0.489 0.000 1.121 552 S HN 0.925 nan 8.310 nan 0.000 0.479 553 Q N 0.167 120.161 119.800 0.323 0.000 2.309 553 Q HA 0.398 4.739 4.340 0.000 0.000 0.254 553 Q C -1.003 175.139 176.000 0.236 0.000 0.938 553 Q CA -0.560 55.419 55.803 0.294 0.000 0.789 553 Q CB 1.183 30.150 28.738 0.381 0.000 1.313 553 Q HN 0.674 nan 8.270 nan 0.000 0.438 554 K N 0.996 121.533 120.400 0.227 0.000 2.358 554 K HA 0.362 4.682 4.320 0.000 0.000 0.200 554 K C -0.590 176.123 176.600 0.188 0.000 1.030 554 K CA 0.205 56.611 56.287 0.198 0.000 1.097 554 K CB 1.596 34.238 32.500 0.237 0.000 0.862 554 K HN 0.479 nan 8.250 nan 0.000 0.534 555 A N 2.429 125.368 122.820 0.198 0.000 2.323 555 A HA 0.493 4.813 4.320 0.000 0.000 0.305 555 A C -0.893 176.769 177.584 0.131 0.000 1.275 555 A CA -0.597 51.559 52.037 0.199 0.000 0.804 555 A CB 0.448 19.627 19.000 0.298 0.000 1.152 555 A HN 0.225 nan 8.150 nan 0.000 0.487 556 D N 0.022 120.469 120.400 0.079 0.000 2.895 556 D HA 0.461 5.101 4.640 0.000 0.000 0.320 556 D C 0.429 176.735 176.300 0.010 0.000 1.249 556 D CA 0.365 54.390 54.000 0.042 0.000 0.997 556 D CB 0.264 41.084 40.800 0.033 0.000 1.430 556 D HN 0.208 nan 8.370 nan 0.000 0.558 557 T N -2.411 112.149 114.554 0.009 0.000 3.134 557 T HA 0.343 4.693 4.350 0.000 0.000 0.260 557 T C 0.447 175.097 174.700 -0.082 0.000 1.027 557 T CA -0.349 61.754 62.100 0.005 0.000 0.913 557 T CB -0.574 68.340 68.868 0.077 0.000 1.046 557 T HN 0.280 nan 8.240 nan 0.000 0.553 558 V N 2.388 122.147 119.914 -0.258 0.000 2.843 558 V HA 0.303 4.424 4.120 0.000 0.000 0.305 558 V C 0.070 176.102 176.094 -0.104 0.000 1.065 558 V CA -0.746 61.370 62.300 -0.308 0.000 1.116 558 V CB 0.138 31.670 31.823 -0.485 0.000 0.968 558 V HN 0.556 nan 8.190 nan 0.000 0.487 559 F N 5.739 125.591 119.950 -0.165 0.000 2.405 559 F HA 0.610 5.137 4.527 0.000 0.000 0.355 559 F C 0.428 176.171 175.800 -0.095 0.000 1.121 559 F CA -0.326 57.605 58.000 -0.115 0.000 1.112 559 F CB 0.404 39.345 39.000 -0.099 0.000 1.126 559 F HN 0.432 nan 8.300 nan 0.000 0.481 560 R N 5.472 125.497 120.500 -0.792 0.000 2.795 560 R HA 0.631 4.971 4.340 0.000 0.000 0.275 560 R C -1.938 173.950 176.300 -0.687 0.000 0.981 560 R CA -1.281 54.502 56.100 -0.527 0.000 0.917 560 R CB 1.925 32.065 30.300 -0.267 0.000 1.202 560 R HN 0.431 nan 8.270 nan 0.000 0.469 561 L N 3.691 124.718 121.223 -0.326 0.000 2.353 561 L HA 0.396 4.736 4.340 0.000 0.000 0.270 561 L C -0.812 176.032 176.870 -0.043 0.000 1.003 561 L CA -0.559 54.135 54.840 -0.244 0.000 0.862 561 L CB 0.393 42.446 42.059 -0.011 0.000 1.221 561 L HN 0.790 nan 8.230 nan 0.000 0.430 562 N N 0.448 119.046 118.700 -0.168 0.000 3.418 562 N HA 0.170 4.910 4.740 0.000 0.000 0.316 562 N C 0.482 175.637 175.510 -0.592 0.000 1.601 562 N CA -0.791 52.046 53.050 -0.355 0.000 0.805 562 N CB 0.039 38.455 38.487 -0.119 0.000 1.873 562 N HN 0.219 nan 8.380 nan 0.000 0.615 563 W N 0.804 121.507 121.300 -0.995 0.000 2.318 563 W HA 0.046 4.706 4.660 0.000 0.000 0.313 563 W C 2.147 178.625 176.519 -0.069 0.000 1.221 563 W CA 3.212 60.247 57.345 -0.515 0.000 1.266 563 W CB -1.103 28.258 29.460 -0.165 0.000 1.150 563 W HN 0.719 nan 8.180 nan 0.000 0.496 564 A N -0.426 122.396 122.820 0.004 0.000 1.948 564 A HA -0.268 4.052 4.320 0.000 0.000 0.220 564 A C 1.948 179.435 177.584 -0.162 0.000 1.177 564 A CA 2.818 54.788 52.037 -0.112 0.000 0.636 564 A CB -1.374 17.633 19.000 0.011 0.000 0.815 564 A HN 0.344 nan 8.150 nan 0.000 0.449 565 T N -1.253 113.220 114.554 -0.135 0.000 2.684 565 T HA -0.233 4.117 4.350 0.000 0.000 0.267 565 T C 1.813 176.541 174.700 0.047 0.000 1.036 565 T CA 1.810 63.815 62.100 -0.158 0.000 1.148 565 T CB -0.535 68.088 68.868 -0.408 0.000 0.863 565 T HN 0.687 nan 8.240 nan 0.000 0.436 566 Y N 2.245 122.630 120.300 0.141 0.000 2.145 566 Y HA -0.067 4.483 4.550 0.000 0.000 0.286 566 Y C 1.994 177.870 175.900 -0.041 0.000 1.145 566 Y CA 0.959 59.154 58.100 0.159 0.000 1.148 566 Y CB -0.840 37.692 38.460 0.120 0.000 0.981 566 Y HN 0.126 nan 8.280 nan 0.000 0.507 567 L N 0.207 120.980 121.223 -0.750 0.000 2.081 567 L HA -0.259 4.081 4.340 0.000 0.000 0.212 567 L C 2.765 179.366 176.870 -0.448 0.000 1.080 567 L CA 1.470 55.819 54.840 -0.819 0.000 0.754 567 L CB -0.968 40.665 42.059 -0.711 0.000 0.893 567 L HN 0.435 nan 8.230 nan 0.000 0.433 568 A N -1.405 121.238 122.820 -0.294 0.000 1.887 568 A HA -0.125 4.195 4.320 0.000 0.000 0.212 568 A C 2.478 179.981 177.584 -0.135 0.000 1.198 568 A CA 1.340 53.264 52.037 -0.189 0.000 0.628 568 A CB -0.503 18.385 19.000 -0.186 0.000 0.847 568 A HN 0.306 nan 8.150 nan 0.000 0.449 569 S N -0.742 114.897 115.700 -0.101 0.000 2.343 569 S HA -0.137 4.334 4.470 0.000 0.000 0.219 569 S C 2.030 176.627 174.600 -0.005 0.000 1.033 569 S CA 2.424 60.611 58.200 -0.021 0.000 1.014 569 S CB -0.505 62.754 63.200 0.098 0.000 0.915 569 S HN 0.547 nan 8.310 nan 0.000 0.435 570 T N 1.338 115.872 114.554 -0.034 0.000 2.939 570 T HA 0.157 4.507 4.350 0.000 0.000 0.254 570 T C 1.290 175.942 174.700 -0.080 0.000 1.041 570 T CA 0.722 62.819 62.100 -0.005 0.000 1.142 570 T CB -0.136 68.824 68.868 0.153 0.000 0.874 570 T HN 0.336 nan 8.240 nan 0.000 0.452 571 E N 1.266 121.316 120.200 -0.250 0.000 2.463 571 E HA 0.177 4.527 4.350 0.000 0.000 0.193 571 E C -0.092 176.479 176.600 -0.049 0.000 1.041 571 E CA -0.164 56.142 56.400 -0.158 0.000 0.879 571 E CB -0.507 29.029 29.700 -0.274 0.000 0.997 571 E HN 0.551 nan 8.360 nan 0.000 0.478 572 N N 0.929 119.612 118.700 -0.027 0.000 2.714 572 N HA -0.206 4.534 4.740 0.000 0.000 0.252 572 N C -0.752 174.831 175.510 0.121 0.000 1.014 572 N CA 0.233 53.333 53.050 0.084 0.000 0.735 572 N CB -1.090 37.511 38.487 0.192 0.000 0.924 572 N HN 0.239 nan 8.380 nan 0.000 0.540 573 I N 0.817 121.387 120.570 -0.000 0.000 2.441 573 I HA 0.355 4.525 4.170 0.000 0.000 0.295 573 I C 0.550 176.638 176.117 -0.049 0.000 0.994 573 I CA -0.887 60.433 61.300 0.033 0.000 1.144 573 I CB 1.522 39.553 38.000 0.052 0.000 1.314 573 I HN 0.028 nan 8.210 nan 0.000 0.445 574 I N 6.349 126.899 120.570 -0.033 0.000 2.396 574 I HA 0.155 4.326 4.170 0.000 0.000 0.289 574 I C -0.385 175.696 176.117 -0.059 0.000 1.056 574 I CA -0.417 60.810 61.300 -0.121 0.000 1.365 574 I CB 0.932 38.854 38.000 -0.130 0.000 1.407 574 I HN 0.198 nan 8.210 nan 0.000 0.509 575 V N 6.765 126.630 119.914 -0.081 0.000 2.347 575 V HA 0.612 4.732 4.120 0.000 0.000 0.280 575 V C 0.381 176.466 176.094 -0.015 0.000 1.021 575 V CA -0.428 61.871 62.300 -0.001 0.000 0.847 575 V CB 1.105 32.934 31.823 0.010 0.000 0.990 575 V HN 0.833 nan 8.190 nan 0.000 0.444 576 A N 4.026 126.846 122.820 0.000 0.000 2.355 576 A HA 0.928 5.248 4.320 0.000 0.000 0.324 576 A C -0.200 177.469 177.584 0.143 0.000 1.117 576 A CA -0.505 51.511 52.037 -0.035 0.000 0.785 576 A CB 1.731 20.481 19.000 -0.417 0.000 1.254 576 A HN 0.680 nan 8.150 nan 0.000 0.453 577 S N 0.050 115.899 115.700 0.249 0.000 2.548 577 S HA 0.778 5.248 4.470 0.000 0.000 0.286 577 S C -1.394 173.534 174.600 0.547 0.000 1.098 577 S CA -0.311 58.099 58.200 0.349 0.000 0.930 577 S CB 1.319 64.678 63.200 0.266 0.000 1.070 577 S HN 0.775 nan 8.310 nan 0.000 0.480 578 F N 1.859 122.035 119.950 0.376 0.000 2.561 578 F HA 0.437 4.964 4.527 0.000 0.000 0.313 578 F C -1.595 174.412 175.800 0.345 0.000 1.126 578 F CA -0.667 57.590 58.000 0.428 0.000 0.918 578 F CB 1.418 40.673 39.000 0.426 0.000 1.199 578 F HN 0.403 nan 8.300 nan 0.000 0.444 579 D N 4.674 124.861 120.400 -0.355 0.000 2.373 579 D HA 0.432 5.073 4.640 0.000 0.000 0.227 579 D C 0.199 176.217 176.300 -0.470 0.000 1.091 579 D CA 0.118 54.001 54.000 -0.194 0.000 0.840 579 D CB 1.717 42.559 40.800 0.070 0.000 1.060 579 D HN 0.785 nan 8.370 nan 0.000 0.502 580 G N 1.391 110.073 108.800 -0.197 0.000 3.119 580 G HA2 0.366 4.326 3.960 0.000 0.000 0.206 580 G HA3 0.366 4.326 3.960 0.000 0.000 0.206 580 G C -0.087 174.858 174.900 0.076 0.000 1.313 580 G CA -0.728 44.277 45.100 -0.159 0.000 1.010 580 G HN 0.231 nan 8.290 nan 0.000 0.578 581 R N -0.691 119.835 120.500 0.043 0.000 2.566 581 R HA 0.365 4.705 4.340 0.000 0.000 0.273 581 R C 1.355 177.757 176.300 0.170 0.000 0.981 581 R CA 2.018 58.220 56.100 0.170 0.000 1.091 581 R CB 0.259 30.654 30.300 0.159 0.000 0.924 581 R HN 1.401 nan 8.270 nan 0.000 0.411 582 G N 1.030 109.926 108.800 0.160 0.000 2.234 582 G HA2 -0.309 3.651 3.960 0.000 0.000 0.235 582 G HA3 -0.309 3.651 3.960 0.000 0.000 0.235 582 G C 0.369 175.310 174.900 0.068 0.000 0.997 582 G CA 0.191 45.360 45.100 0.115 0.000 0.623 582 G HN 0.748 nan 8.290 nan 0.000 0.514 583 S N 0.516 116.274 115.700 0.096 0.000 2.572 583 S HA 0.534 5.004 4.470 0.000 0.000 0.267 583 S C 1.030 175.647 174.600 0.029 0.000 1.361 583 S CA 1.040 59.293 58.200 0.089 0.000 1.009 583 S CB 0.524 63.811 63.200 0.145 0.000 0.888 583 S HN 1.593 nan 8.310 nan 0.000 0.553 584 G N 0.306 109.096 108.800 -0.016 0.000 2.735 584 G HA2 0.539 4.499 3.960 0.000 0.000 0.301 584 G HA3 0.539 4.499 3.960 0.000 0.000 0.301 584 G C -1.248 173.585 174.900 -0.111 0.000 1.279 584 G CA -0.638 44.335 45.100 -0.212 0.000 1.019 584 G HN 0.866 nan 8.290 nan 0.000 0.497 585 Y N -2.114 118.201 120.300 0.024 0.000 4.272 585 Y HA -0.204 4.346 4.550 0.000 0.000 0.232 585 Y C 1.332 177.244 175.900 0.019 0.000 1.149 585 Y CA 1.014 59.129 58.100 0.025 0.000 1.961 585 Y CB -2.168 36.327 38.460 0.058 0.000 1.611 585 Y HN 0.563 nan 8.280 nan 0.000 0.682 586 Q N -0.336 119.493 119.800 0.049 0.000 2.057 586 Q HA 0.498 4.838 4.340 0.000 0.000 0.216 586 Q C 0.911 176.767 176.000 -0.241 0.000 0.788 586 Q CA 0.209 56.029 55.803 0.029 0.000 1.053 586 Q CB 1.670 30.433 28.738 0.042 0.000 1.210 586 Q HN 0.597 nan 8.270 nan 0.000 0.455 587 G N 0.801 109.340 108.800 -0.435 0.000 2.662 587 G HA2 -0.184 3.776 3.960 0.000 0.000 0.686 587 G HA3 -0.184 3.776 3.960 0.000 0.000 0.686 587 G C -0.535 174.000 174.900 -0.608 0.000 1.271 587 G CA -0.551 44.018 45.100 -0.884 0.000 0.816 587 G HN 0.122 nan 8.290 nan 0.000 0.608 588 D N -0.144 119.847 120.400 -0.680 0.000 2.264 588 D HA -0.028 4.612 4.640 0.000 0.000 0.208 588 D C 2.179 178.185 176.300 -0.490 0.000 0.966 588 D CA 1.200 54.738 54.000 -0.769 0.000 0.864 588 D CB 0.074 40.228 40.800 -1.077 0.000 0.933 588 D HN 0.562 nan 8.370 nan 0.000 0.499 589 K N 0.496 120.670 120.400 -0.375 0.000 2.097 589 K HA -0.117 4.203 4.320 0.000 0.000 0.206 589 K C 1.732 178.267 176.600 -0.109 0.000 1.049 589 K CA 0.836 57.002 56.287 -0.201 0.000 0.933 589 K CB 0.117 32.517 32.500 -0.166 0.000 0.717 589 K HN 0.062 nan 8.250 nan 0.000 0.442 590 I N 0.737 121.234 120.570 -0.123 0.000 2.188 590 I HA -0.229 3.942 4.170 0.000 0.000 0.237 590 I C 2.617 178.753 176.117 0.031 0.000 1.073 590 I CA 0.946 62.248 61.300 0.005 0.000 1.359 590 I CB -0.865 37.141 38.000 0.010 0.000 1.083 590 I HN 0.329 nan 8.210 nan 0.000 0.412 591 M N 0.651 120.223 119.600 -0.047 0.000 2.082 591 M HA -0.275 4.205 4.480 0.000 0.000 0.258 591 M C 2.238 178.641 176.300 0.172 0.000 1.071 591 M CA 2.054 57.372 55.300 0.030 0.000 1.103 591 M CB -0.534 32.021 32.600 -0.074 0.000 1.307 591 M HN 0.255 nan 8.290 nan 0.000 0.409 592 H N -0.528 118.440 119.070 -0.169 0.000 2.563 592 H HA 0.056 4.612 4.556 0.000 0.000 0.272 592 H C 1.891 177.245 175.328 0.044 0.000 1.005 592 H CA 0.106 56.064 56.048 -0.150 0.000 1.171 592 H CB -0.035 29.542 29.762 -0.308 0.000 1.351 592 H HN 0.582 nan 8.280 nan 0.000 0.602 593 A N 1.747 124.678 122.820 0.187 0.000 1.986 593 A HA -0.163 4.158 4.320 0.000 0.000 0.220 593 A C 2.123 179.913 177.584 0.344 0.000 1.171 593 A CA 1.326 53.485 52.037 0.203 0.000 0.640 593 A CB -0.679 18.409 19.000 0.147 0.000 0.811 593 A HN 0.580 nan 8.150 nan 0.000 0.451 594 I N -2.989 117.762 120.570 0.302 0.000 3.855 594 I HA 0.165 4.335 4.170 0.000 0.000 0.327 594 I C 0.345 176.546 176.117 0.140 0.000 1.359 594 I CA -0.480 60.952 61.300 0.220 0.000 1.142 594 I CB -0.584 37.508 38.000 0.153 0.000 1.041 594 I HN 0.217 nan 8.210 nan 0.000 0.403 595 N N 2.924 121.750 118.700 0.211 0.000 2.454 595 N HA -0.030 4.710 4.740 0.000 0.000 0.260 595 N C 0.201 175.738 175.510 0.045 0.000 1.218 595 N CA 0.176 53.347 53.050 0.202 0.000 0.904 595 N CB 0.388 38.979 38.487 0.174 0.000 1.065 595 N HN 0.405 nan 8.380 nan 0.000 0.462 596 R N 0.476 120.973 120.500 -0.004 0.000 3.946 596 R HA -0.206 4.134 4.340 0.000 0.000 0.329 596 R C -0.285 175.874 176.300 -0.234 0.000 1.209 596 R CA 0.770 56.824 56.100 -0.077 0.000 0.909 596 R CB -0.912 29.367 30.300 -0.035 0.000 1.355 596 R HN 0.562 nan 8.270 nan 0.000 0.539 597 R N 0.657 120.997 120.500 -0.266 0.000 2.583 597 R HA 0.317 4.657 4.340 0.000 0.000 0.282 597 R C -0.701 175.490 176.300 -0.181 0.000 1.288 597 R CA -0.197 55.553 56.100 -0.583 0.000 1.415 597 R CB 0.465 30.448 30.300 -0.528 0.000 1.331 597 R HN 0.079 nan 8.270 nan 0.000 0.719 598 L N -0.040 121.215 121.223 0.053 0.000 2.461 598 L HA 0.285 4.625 4.340 0.000 0.000 0.272 598 L C 1.226 178.339 176.870 0.404 0.000 1.197 598 L CA 0.913 55.840 54.840 0.145 0.000 0.836 598 L CB 0.673 42.635 42.059 -0.162 0.000 1.105 598 L HN 0.693 nan 8.230 nan 0.000 0.477 599 G N 1.031 110.076 108.800 0.408 0.000 2.212 599 G HA2 -0.258 3.702 3.960 0.000 0.000 0.255 599 G HA3 -0.258 3.702 3.960 0.000 0.000 0.255 599 G C 0.340 175.308 174.900 0.112 0.000 1.062 599 G CA 0.481 45.763 45.100 0.303 0.000 0.815 599 G HN 0.891 nan 8.290 nan 0.000 0.497 600 T N -4.017 110.550 114.554 0.021 0.000 3.212 600 T HA 0.458 4.809 4.350 0.000 0.000 0.157 600 T C 1.611 176.269 174.700 -0.071 0.000 0.908 600 T CA 0.892 62.902 62.100 -0.150 0.000 0.954 600 T CB 0.041 68.602 68.868 -0.513 0.000 1.709 600 T HN 0.211 nan 8.240 nan 0.000 0.335 601 F N 3.561 123.551 119.950 0.065 0.000 2.126 601 F HA 0.040 4.567 4.527 0.000 0.000 0.299 601 F C 2.853 178.687 175.800 0.057 0.000 1.096 601 F CA 1.380 59.409 58.000 0.047 0.000 1.255 601 F CB -0.830 38.195 39.000 0.043 0.000 0.997 601 F HN 0.543 nan 8.300 nan 0.000 0.479 602 E N 1.187 121.537 120.200 0.250 0.000 2.110 602 E HA -0.182 4.168 4.350 0.000 0.000 0.193 602 E C 2.356 179.058 176.600 0.170 0.000 0.988 602 E CA 1.752 58.275 56.400 0.204 0.000 0.804 602 E CB -1.293 28.529 29.700 0.202 0.000 0.745 602 E HN 0.365 nan 8.360 nan 0.000 0.458 603 V N 0.921 120.907 119.914 0.120 0.000 2.379 603 V HA -0.195 3.925 4.120 0.000 0.000 0.245 603 V C 2.049 178.175 176.094 0.053 0.000 1.044 603 V CA 2.115 64.442 62.300 0.046 0.000 1.036 603 V CB -0.284 31.512 31.823 -0.045 0.000 0.664 603 V HN 0.177 nan 8.190 nan 0.000 0.453 604 E N 0.004 120.251 120.200 0.078 0.000 2.077 604 E HA -0.224 4.127 4.350 0.000 0.000 0.193 604 E C 1.972 178.605 176.600 0.056 0.000 0.989 604 E CA 1.714 58.159 56.400 0.075 0.000 0.800 604 E CB -0.231 29.544 29.700 0.125 0.000 0.746 604 E HN 0.642 nan 8.360 nan 0.000 0.452 605 D N 0.321 120.771 120.400 0.084 0.000 2.178 605 D HA -0.160 4.480 4.640 0.000 0.000 0.201 605 D C 1.926 178.223 176.300 -0.003 0.000 0.980 605 D CA 0.897 54.921 54.000 0.040 0.000 0.842 605 D CB -0.157 40.716 40.800 0.121 0.000 0.948 605 D HN 0.020 nan 8.370 nan 0.000 0.472 606 Q N 0.198 120.062 119.800 0.107 0.000 2.119 606 Q HA -0.014 4.326 4.340 0.000 0.000 0.201 606 Q C 2.136 178.185 176.000 0.081 0.000 0.972 606 Q CA 0.852 56.731 55.803 0.128 0.000 0.847 606 Q CB -0.192 28.641 28.738 0.159 0.000 0.903 606 Q HN 0.351 nan 8.270 nan 0.000 0.433 607 I N -0.016 120.604 120.570 0.082 0.000 2.202 607 I HA -0.206 3.964 4.170 0.000 0.000 0.242 607 I C 2.249 178.352 176.117 -0.023 0.000 1.091 607 I CA 0.988 62.378 61.300 0.149 0.000 1.368 607 I CB -0.314 37.754 38.000 0.114 0.000 1.058 607 I HN 0.182 nan 8.210 nan 0.000 0.410 608 E N 1.290 121.419 120.200 -0.118 0.000 2.085 608 E HA -0.231 4.119 4.350 0.000 0.000 0.194 608 E C 2.209 178.559 176.600 -0.417 0.000 0.994 608 E CA 1.687 57.957 56.400 -0.217 0.000 0.801 608 E CB -0.191 29.392 29.700 -0.196 0.000 0.743 608 E HN 0.472 nan 8.360 nan 0.000 0.453 609 A N 1.080 123.513 122.820 -0.646 0.000 1.845 609 A HA -0.103 4.217 4.320 0.000 0.000 0.215 609 A C 2.470 179.438 177.584 -1.026 0.000 1.195 609 A CA 2.542 53.892 52.037 -1.145 0.000 0.616 609 A CB -0.992 17.029 19.000 -1.631 0.000 0.832 609 A HN 0.312 nan 8.150 nan 0.000 0.443 610 A N -0.446 122.161 122.820 -0.354 0.000 1.940 610 A HA -0.224 4.096 4.320 0.000 0.000 0.219 610 A C 2.243 179.708 177.584 -0.198 0.000 1.176 610 A CA 2.007 54.044 52.037 0.000 0.000 0.631 610 A CB -0.535 18.520 19.000 0.092 0.000 0.814 610 A HN 0.589 nan 8.150 nan 0.000 0.446 611 R N -0.498 119.845 120.500 -0.261 0.000 2.081 611 R HA -0.159 4.181 4.340 0.000 0.000 0.235 611 R C 2.258 178.410 176.300 -0.247 0.000 1.131 611 R CA 1.800 57.764 56.100 -0.227 0.000 0.960 611 R CB -0.259 29.932 30.300 -0.181 0.000 0.856 611 R HN 0.696 nan 8.270 nan 0.000 0.436 612 Q N -0.830 118.746 119.800 -0.373 0.000 2.187 612 Q HA -0.102 4.239 4.340 0.000 0.000 0.199 612 Q C 1.848 177.677 176.000 -0.285 0.000 0.957 612 Q CA 0.985 56.578 55.803 -0.349 0.000 0.857 612 Q CB 0.024 28.502 28.738 -0.433 0.000 0.929 612 Q HN 0.297 nan 8.270 nan 0.000 0.453 613 F N 1.289 121.096 119.950 -0.237 0.000 2.102 613 F HA -0.232 4.295 4.527 0.000 0.000 0.298 613 F C 2.835 178.489 175.800 -0.243 0.000 1.105 613 F CA 1.418 59.276 58.000 -0.238 0.000 1.239 613 F CB -1.218 37.669 39.000 -0.189 0.000 0.991 613 F HN 0.080 nan 8.300 nan 0.000 0.474 614 S N 0.062 115.747 115.700 -0.026 0.000 2.353 614 S HA -0.198 4.272 4.470 0.000 0.000 0.222 614 S C 1.490 176.005 174.600 -0.141 0.000 1.035 614 S CA 1.006 59.147 58.200 -0.099 0.000 1.025 614 S CB -0.665 62.460 63.200 -0.124 0.000 0.902 614 S HN 0.154 nan 8.310 nan 0.000 0.440 615 K N 1.113 121.429 120.400 -0.140 0.000 3.277 615 K HA 0.265 4.586 4.320 0.000 0.000 0.291 615 K C 0.576 177.075 176.600 -0.168 0.000 0.994 615 K CA 0.203 56.408 56.287 -0.137 0.000 1.147 615 K CB -0.644 31.785 32.500 -0.119 0.000 1.185 615 K HN 0.583 nan 8.250 nan 0.000 0.422 616 M N -1.758 117.690 119.600 -0.254 0.000 2.338 616 M HA 0.062 4.542 4.480 0.000 0.000 0.276 616 M C 1.032 177.058 176.300 -0.457 0.000 1.057 616 M CA 0.506 55.575 55.300 -0.385 0.000 1.079 616 M CB 0.827 33.072 32.600 -0.592 0.000 1.547 616 M HN 0.504 nan 8.290 nan 0.000 0.549 617 G N 1.144 109.736 108.800 -0.346 0.000 2.397 617 G HA2 -0.304 3.656 3.960 0.000 0.000 0.211 617 G HA3 -0.304 3.656 3.960 0.000 0.000 0.211 617 G C 0.455 175.304 174.900 -0.086 0.000 1.077 617 G CA 0.350 45.338 45.100 -0.187 0.000 0.649 617 G HN 0.475 nan 8.290 nan 0.000 0.511 618 F N 1.163 121.183 119.950 0.117 0.000 2.695 618 F HA 0.758 5.285 4.527 0.000 0.000 0.303 618 F C 0.434 176.373 175.800 0.232 0.000 1.091 618 F CA -1.023 57.097 58.000 0.200 0.000 1.300 618 F CB 0.063 39.265 39.000 0.337 0.000 1.071 618 F HN 0.103 nan 8.300 nan 0.000 0.578 619 V N 2.323 122.262 119.914 0.041 0.000 2.350 619 V HA 0.158 4.278 4.120 0.000 0.000 0.276 619 V C -0.541 175.543 176.094 -0.017 0.000 1.028 619 V CA -0.774 61.565 62.300 0.066 0.000 0.860 619 V CB 1.098 32.897 31.823 -0.041 0.000 0.990 619 V HN 0.088 nan 8.190 nan 0.000 0.453 620 D N 4.721 125.108 120.400 -0.022 0.000 2.359 620 D HA 0.016 4.656 4.640 0.000 0.000 0.250 620 D C 1.407 177.643 176.300 -0.108 0.000 1.264 620 D CA -0.195 53.756 54.000 -0.082 0.000 0.911 620 D CB 0.604 41.333 40.800 -0.119 0.000 1.056 620 D HN 0.635 nan 8.370 nan 0.000 0.499 621 N N 3.688 122.330 118.700 -0.097 0.000 2.519 621 N HA -0.192 4.548 4.740 0.000 0.000 0.186 621 N C 0.709 176.160 175.510 -0.099 0.000 1.062 621 N CA 0.668 53.654 53.050 -0.107 0.000 0.910 621 N CB -0.033 38.394 38.487 -0.101 0.000 0.958 621 N HN 0.413 nan 8.380 nan 0.000 0.445 622 K N -0.040 120.306 120.400 -0.090 0.000 2.459 622 K HA 0.156 4.476 4.320 0.000 0.000 0.193 622 K C 0.339 176.897 176.600 -0.069 0.000 1.030 622 K CA 0.211 56.459 56.287 -0.065 0.000 1.026 622 K CB 0.383 32.851 32.500 -0.054 0.000 0.809 622 K HN 0.131 nan 8.250 nan 0.000 0.504 623 R N 1.093 121.505 120.500 -0.146 0.000 2.681 623 R HA 0.336 4.676 4.340 0.000 0.000 0.277 623 R C -1.070 175.032 176.300 -0.331 0.000 1.563 623 R CA -0.135 55.799 56.100 -0.278 0.000 1.673 623 R CB 0.605 30.572 30.300 -0.555 0.000 1.258 623 R HN -0.007 nan 8.270 nan 0.000 0.650 624 I N 1.146 121.702 120.570 -0.023 0.000 2.389 624 I HA 0.529 4.699 4.170 0.000 0.000 0.288 624 I C 0.005 176.348 176.117 0.377 0.000 0.999 624 I CA -0.606 60.742 61.300 0.081 0.000 1.129 624 I CB 1.899 39.814 38.000 -0.140 0.000 1.288 624 I HN 0.308 nan 8.210 nan 0.000 0.444 625 A N 7.093 130.284 122.820 0.618 0.000 2.389 625 A HA 0.931 5.251 4.320 0.000 0.000 0.293 625 A C -1.083 176.891 177.584 0.651 0.000 1.186 625 A CA -0.663 51.742 52.037 0.615 0.000 0.828 625 A CB 1.998 21.232 19.000 0.391 0.000 1.369 625 A HN 0.706 nan 8.150 nan 0.000 0.446 626 I N -0.107 120.777 120.570 0.523 0.000 2.841 626 I HA 0.673 4.844 4.170 0.000 0.000 0.298 626 I C -2.119 174.284 176.117 0.477 0.000 1.304 626 I CA -0.553 60.995 61.300 0.414 0.000 1.019 626 I CB 1.796 39.803 38.000 0.012 0.000 1.282 626 I HN 0.962 nan 8.210 nan 0.000 0.432 627 W N 6.594 128.037 121.300 0.238 0.000 3.248 627 W HA 0.814 5.475 4.660 0.000 0.000 0.311 627 W C -1.557 175.123 176.519 0.269 0.000 1.258 627 W CA -0.964 56.530 57.345 0.249 0.000 1.191 627 W CB 0.900 30.549 29.460 0.316 0.000 1.389 627 W HN 0.822 nan 8.180 nan 0.000 0.561 628 G N 0.915 109.703 108.800 -0.019 0.000 2.677 628 G HA2 0.564 4.524 3.960 0.000 0.000 0.291 628 G HA3 0.564 4.524 3.960 0.000 0.000 0.291 628 G C -2.758 172.150 174.900 0.015 0.000 1.435 628 G CA -0.683 44.272 45.100 -0.243 0.000 0.826 628 G HN 0.625 nan 8.290 nan 0.000 0.491 629 W N 0.812 122.032 121.300 -0.132 0.000 2.819 629 W HA 0.618 5.278 4.660 0.000 0.000 0.337 629 W C 0.705 177.304 176.519 0.133 0.000 1.077 629 W CA 0.212 57.564 57.345 0.011 0.000 1.226 629 W CB 1.856 31.316 29.460 -0.001 0.000 1.419 629 W HN 1.197 nan 8.180 nan 0.000 0.502 630 S N 2.393 118.432 115.700 0.564 0.000 4.064 630 S HA -0.426 4.044 4.470 0.000 0.000 0.625 630 S C 1.069 175.879 174.600 0.350 0.000 2.010 630 S CA 1.739 60.272 58.200 0.556 0.000 4.186 630 S CB -1.831 61.836 63.200 0.779 0.000 0.211 630 S HN 0.779 nan 8.310 nan 0.000 0.605 631 Y N 2.315 122.750 120.300 0.225 0.000 2.315 631 Y HA 0.051 4.601 4.550 0.000 0.000 0.288 631 Y C 2.266 178.223 175.900 0.094 0.000 1.154 631 Y CA 2.401 60.541 58.100 0.066 0.000 1.229 631 Y CB -0.941 37.412 38.460 -0.178 0.000 0.980 631 Y HN 0.513 nan 8.280 nan 0.000 0.540 632 G N -1.253 107.755 108.800 0.346 0.000 2.534 632 G HA2 -0.110 3.850 3.960 0.000 0.000 0.217 632 G HA3 -0.110 3.850 3.960 0.000 0.000 0.217 632 G C 1.841 176.840 174.900 0.164 0.000 1.128 632 G CA 0.575 45.826 45.100 0.252 0.000 0.784 632 G HN 0.558 nan 8.290 nan 0.000 0.542 633 G N -0.005 108.901 108.800 0.178 0.000 2.394 633 G HA2 -0.171 3.789 3.960 0.000 0.000 0.215 633 G HA3 -0.171 3.789 3.960 0.000 0.000 0.215 633 G C 1.516 176.478 174.900 0.103 0.000 1.165 633 G CA 0.949 46.123 45.100 0.123 0.000 0.784 633 G HN 0.372 nan 8.290 nan 0.000 0.535 634 Y N 1.527 121.772 120.300 -0.091 0.000 2.070 634 Y HA -0.165 4.385 4.550 0.000 0.000 0.280 634 Y C 2.807 178.635 175.900 -0.121 0.000 1.148 634 Y CA 1.809 59.789 58.100 -0.200 0.000 1.125 634 Y CB -0.655 37.531 38.460 -0.456 0.000 0.975 634 Y HN 0.016 nan 8.280 nan 0.000 0.492 635 V N 0.025 119.848 119.914 -0.153 0.000 2.282 635 V HA -0.397 3.723 4.120 0.000 0.000 0.249 635 V C 2.358 178.351 176.094 -0.169 0.000 1.057 635 V CA 2.599 64.788 62.300 -0.185 0.000 1.032 635 V CB -1.311 30.552 31.823 0.068 0.000 0.645 635 V HN 0.550 nan 8.190 nan 0.000 0.447 636 T N -0.262 114.256 114.554 -0.060 0.000 2.665 636 T HA -0.215 4.135 4.350 0.000 0.000 0.268 636 T C 2.115 176.767 174.700 -0.080 0.000 1.035 636 T CA 2.020 64.092 62.100 -0.047 0.000 1.151 636 T CB -0.312 68.610 68.868 0.089 0.000 0.862 636 T HN 0.529 nan 8.240 nan 0.000 0.438 637 S N 0.979 116.662 115.700 -0.027 0.000 2.368 637 S HA -0.024 4.446 4.470 0.000 0.000 0.225 637 S C 2.124 176.630 174.600 -0.157 0.000 1.030 637 S CA 0.941 59.138 58.200 -0.005 0.000 0.999 637 S CB -0.269 62.977 63.200 0.077 0.000 0.844 637 S HN 0.341 nan 8.310 nan 0.000 0.459 638 M N 0.816 120.240 119.600 -0.293 0.000 2.175 638 M HA -0.007 4.473 4.480 0.000 0.000 0.264 638 M C 2.179 178.303 176.300 -0.293 0.000 1.063 638 M CA 1.012 56.115 55.300 -0.329 0.000 1.119 638 M CB -1.362 30.945 32.600 -0.488 0.000 1.377 638 M HN 0.178 nan 8.290 nan 0.000 0.415 639 V N 0.544 120.279 119.914 -0.297 0.000 2.307 639 V HA -0.219 3.902 4.120 0.000 0.000 0.245 639 V C 2.502 178.377 176.094 -0.365 0.000 1.045 639 V CA 1.299 63.413 62.300 -0.310 0.000 1.024 639 V CB -0.619 30.956 31.823 -0.413 0.000 0.651 639 V HN 0.400 nan 8.190 nan 0.000 0.449 640 L N 0.386 121.345 121.223 -0.441 0.000 2.265 640 L HA -0.064 4.276 4.340 0.000 0.000 0.215 640 L C 2.074 178.433 176.870 -0.851 0.000 1.117 640 L CA 1.450 55.960 54.840 -0.550 0.000 0.782 640 L CB -0.580 41.152 42.059 -0.544 0.000 0.914 640 L HN 0.509 nan 8.230 nan 0.000 0.441 641 G N -1.740 106.561 108.800 -0.833 0.000 3.337 641 G HA2 -0.003 3.957 3.960 0.000 0.000 0.246 641 G HA3 -0.003 3.957 3.960 0.000 0.000 0.246 641 G C 1.414 176.120 174.900 -0.324 0.000 1.131 641 G CA 0.535 45.199 45.100 -0.726 0.000 0.773 641 G HN 0.403 nan 8.290 nan 0.000 0.544 642 S N -0.582 114.962 115.700 -0.260 0.000 2.414 642 S HA 0.297 4.767 4.470 0.000 0.000 0.227 642 S C 1.966 176.507 174.600 -0.098 0.000 1.022 642 S CA 1.223 59.339 58.200 -0.141 0.000 0.958 642 S CB -0.138 63.000 63.200 -0.102 0.000 0.797 642 S HN 1.395 nan 8.310 nan 0.000 0.493 643 G N 1.020 109.756 108.800 -0.106 0.000 2.141 643 G HA2 -0.312 3.648 3.960 0.000 0.000 0.231 643 G HA3 -0.312 3.648 3.960 0.000 0.000 0.231 643 G C 0.990 175.878 174.900 -0.020 0.000 0.984 643 G CA 0.926 45.989 45.100 -0.062 0.000 0.660 643 G HN 1.260 nan 8.290 nan 0.000 0.525 644 S N -0.400 115.302 115.700 0.003 0.000 2.399 644 S HA 0.265 4.735 4.470 0.000 0.000 0.231 644 S C 2.615 177.234 174.600 0.032 0.000 1.022 644 S CA 1.804 60.024 58.200 0.034 0.000 0.983 644 S CB -0.384 62.872 63.200 0.094 0.000 0.803 644 S HN 2.430 nan 8.310 nan 0.000 0.480 645 G N -0.034 108.795 108.800 0.050 0.000 2.162 645 G HA2 -0.279 3.681 3.960 0.000 0.000 0.260 645 G HA3 -0.279 3.681 3.960 0.000 0.000 0.260 645 G C 0.704 175.618 174.900 0.023 0.000 0.976 645 G CA 0.393 45.515 45.100 0.036 0.000 0.655 645 G HN 0.715 nan 8.290 nan 0.000 0.533 646 V N -0.674 119.258 119.914 0.030 0.000 2.591 646 V HA 0.259 4.379 4.120 0.000 0.000 0.249 646 V C 1.149 177.055 176.094 -0.313 0.000 1.053 646 V CA 1.385 63.573 62.300 -0.186 0.000 1.068 646 V CB -0.377 31.238 31.823 -0.348 0.000 0.689 646 V HN 0.305 nan 8.190 nan 0.000 0.462 647 F N -0.038 119.933 119.950 0.035 0.000 2.436 647 F HA 0.427 4.954 4.527 0.000 0.000 0.340 647 F C 1.076 176.927 175.800 0.085 0.000 1.113 647 F CA -0.814 57.234 58.000 0.079 0.000 1.022 647 F CB 1.404 40.459 39.000 0.091 0.000 1.128 647 F HN -0.257 nan 8.300 nan 0.000 0.466 648 K N 1.554 122.117 120.400 0.271 0.000 2.098 648 K HA 0.089 4.409 4.320 0.000 0.000 0.203 648 K C -0.067 176.672 176.600 0.232 0.000 1.051 648 K CA 0.993 57.405 56.287 0.209 0.000 0.957 648 K CB 0.237 32.852 32.500 0.193 0.000 0.738 648 K HN 0.810 nan 8.250 nan 0.000 0.447 649 c N -2.704 116.073 118.600 0.295 0.000 3.332 649 c HA 0.913 5.483 4.570 0.000 0.000 0.329 649 c C -0.205 174.126 174.090 0.401 0.000 1.434 649 c CA -0.649 55.870 56.329 0.316 0.000 1.314 649 c CB 1.103 43.701 42.510 0.146 0.000 1.664 649 c HN 0.357 nan 8.230 nan 0.000 0.457 650 G N -0.053 109.061 108.800 0.524 0.000 2.667 650 G HA2 0.689 4.649 3.960 0.000 0.000 0.294 650 G HA3 0.689 4.649 3.960 0.000 0.000 0.294 650 G C -1.927 173.260 174.900 0.478 0.000 1.467 650 G CA -0.666 44.724 45.100 0.484 0.000 0.852 650 G HN 0.976 nan 8.290 nan 0.000 0.521 651 I N 0.659 121.467 120.570 0.398 0.000 2.498 651 I HA 0.656 4.826 4.170 0.000 0.000 0.290 651 I C 0.148 176.417 176.117 0.255 0.000 1.032 651 I CA -1.037 60.366 61.300 0.172 0.000 1.073 651 I CB 2.306 40.379 38.000 0.121 0.000 1.251 651 I HN 0.662 nan 8.210 nan 0.000 0.426 652 A N 6.216 129.078 122.820 0.070 0.000 2.319 652 A HA 0.777 5.097 4.320 0.000 0.000 0.310 652 A C -0.856 176.674 177.584 -0.090 0.000 1.152 652 A CA -0.518 51.573 52.037 0.091 0.000 0.783 652 A CB 1.272 20.392 19.000 0.201 0.000 1.184 652 A HN 0.440 nan 8.150 nan 0.000 0.474 653 V N 2.145 121.962 119.914 -0.161 0.000 2.417 653 V HA 0.569 4.689 4.120 0.000 0.000 0.291 653 V C 0.954 176.681 176.094 -0.612 0.000 1.024 653 V CA 0.360 62.338 62.300 -0.536 0.000 0.861 653 V CB 0.900 32.092 31.823 -1.052 0.000 0.985 653 V HN 2.120 nan 8.190 nan 0.000 0.436 654 A N 5.696 128.156 122.820 -0.600 0.000 2.511 654 A HA -0.108 4.212 4.320 0.000 0.000 0.297 654 A C -1.662 175.819 177.584 -0.171 0.000 1.476 654 A CA 0.584 52.188 52.037 -0.722 0.000 0.757 654 A CB -1.584 17.017 19.000 -0.664 0.000 1.072 654 A HN 0.617 nan 8.150 nan 0.000 0.413 655 P HA 0.464 nan 4.420 nan 0.000 0.276 655 P C 0.010 177.313 177.300 0.004 0.000 1.261 655 P CA -0.342 62.780 63.100 0.036 0.000 0.800 655 P CB 1.189 32.922 31.700 0.056 0.000 1.066 656 V N 1.230 121.054 119.914 -0.150 0.000 2.567 656 V HA 0.155 4.276 4.120 0.000 0.000 0.289 656 V C 1.633 177.551 176.094 -0.293 0.000 1.049 656 V CA 0.536 62.585 62.300 -0.418 0.000 0.969 656 V CB 0.941 32.084 31.823 -1.133 0.000 0.995 656 V HN 0.819 nan 8.190 nan 0.000 0.471 657 S N 3.990 119.539 115.700 -0.252 0.000 2.599 657 S HA 0.221 4.691 4.470 0.000 0.000 0.236 657 S C 0.536 174.966 174.600 -0.283 0.000 1.077 657 S CA -0.344 57.769 58.200 -0.145 0.000 0.906 657 S CB 0.291 63.470 63.200 -0.034 0.000 0.804 657 S HN 0.820 nan 8.310 nan 0.000 0.497 658 R N -1.056 119.166 120.500 -0.464 0.000 2.510 658 R HA 0.479 4.820 4.340 0.000 0.000 0.287 658 R C -0.779 175.197 176.300 -0.539 0.000 1.084 658 R CA -0.856 54.907 56.100 -0.561 0.000 0.934 658 R CB -0.160 29.757 30.300 -0.639 0.000 1.201 658 R HN 0.157 nan 8.270 nan 0.000 0.431 659 W N 1.695 122.909 121.300 -0.144 0.000 2.321 659 W HA -0.152 4.508 4.660 0.000 0.000 0.285 659 W C 1.045 177.684 176.519 0.200 0.000 1.213 659 W CA 1.260 58.611 57.345 0.009 0.000 1.205 659 W CB 0.140 29.553 29.460 -0.079 0.000 1.134 659 W HN 0.719 nan 8.180 nan 0.000 0.549 660 E N -1.150 119.215 120.200 0.275 0.000 2.409 660 E HA -0.189 4.161 4.350 0.000 0.000 0.198 660 E C 1.229 177.973 176.600 0.239 0.000 1.024 660 E CA 0.706 57.222 56.400 0.194 0.000 0.861 660 E CB -0.258 29.446 29.700 0.006 0.000 0.788 660 E HN 0.392 nan 8.360 nan 0.000 0.521 661 Y N -1.372 119.004 120.300 0.127 0.000 2.523 661 Y HA 0.067 4.618 4.550 0.000 0.000 0.279 661 Y C 0.669 176.617 175.900 0.081 0.000 1.139 661 Y CA -0.396 57.733 58.100 0.048 0.000 1.296 661 Y CB -0.392 38.046 38.460 -0.037 0.000 1.045 661 Y HN 0.015 nan 8.280 nan 0.000 0.538 662 Y N 2.052 122.494 120.300 0.237 0.000 2.374 662 Y HA 0.275 4.826 4.550 0.000 0.000 0.322 662 Y C 0.426 176.557 175.900 0.386 0.000 1.275 662 Y CA -2.046 56.211 58.100 0.263 0.000 1.307 662 Y CB 0.366 39.044 38.460 0.364 0.000 1.282 662 Y HN 0.204 nan 8.280 nan 0.000 0.509 663 D N -0.202 119.966 120.400 -0.387 0.000 2.378 663 D HA 0.034 4.674 4.640 0.000 0.000 0.238 663 D C 0.972 177.308 176.300 0.059 0.000 1.180 663 D CA 0.516 54.400 54.000 -0.194 0.000 0.895 663 D CB 0.763 41.174 40.800 -0.649 0.000 1.192 663 D HN 0.497 nan 8.370 nan 0.000 0.438 664 S N 1.162 116.903 115.700 0.068 0.000 2.343 664 S HA -0.227 4.244 4.470 0.000 0.000 0.219 664 S C 1.994 176.656 174.600 0.102 0.000 1.033 664 S CA 1.217 59.493 58.200 0.127 0.000 1.014 664 S CB -1.118 62.155 63.200 0.122 0.000 0.915 664 S HN 0.449 nan 8.310 nan 0.000 0.435 665 V N 1.170 121.090 119.914 0.010 0.000 2.250 665 V HA -0.248 3.872 4.120 0.000 0.000 0.250 665 V C 2.354 178.396 176.094 -0.088 0.000 1.060 665 V CA 2.521 64.739 62.300 -0.136 0.000 1.030 665 V CB -1.223 30.381 31.823 -0.364 0.000 0.643 665 V HN 0.618 nan 8.190 nan 0.000 0.445 666 Y N 1.306 121.584 120.300 -0.037 0.000 2.163 666 Y HA -0.209 4.341 4.550 0.000 0.000 0.288 666 Y C 2.693 178.614 175.900 0.036 0.000 1.136 666 Y CA 2.208 60.355 58.100 0.077 0.000 1.147 666 Y CB -0.602 38.108 38.460 0.417 0.000 0.987 666 Y HN 0.272 nan 8.280 nan 0.000 0.509 667 T N 0.114 114.919 114.554 0.418 0.000 2.674 667 T HA -0.190 4.160 4.350 0.000 0.000 0.265 667 T C 1.591 176.280 174.700 -0.019 0.000 1.039 667 T CA 1.833 64.082 62.100 0.249 0.000 1.150 667 T CB -0.355 68.801 68.868 0.480 0.000 0.864 667 T HN 0.392 nan 8.240 nan 0.000 0.427 668 E N 0.634 120.856 120.200 0.037 0.000 2.209 668 E HA -0.140 4.211 4.350 0.000 0.000 0.196 668 E C 2.321 178.806 176.600 -0.192 0.000 0.993 668 E CA 0.630 57.035 56.400 0.008 0.000 0.819 668 E CB -0.136 29.612 29.700 0.080 0.000 0.745 668 E HN 0.340 nan 8.360 nan 0.000 0.477 669 R N -0.050 120.177 120.500 -0.455 0.000 2.091 669 R HA -0.204 4.136 4.340 0.000 0.000 0.238 669 R C 1.323 177.062 176.300 -0.935 0.000 1.136 669 R CA 1.711 57.337 56.100 -0.790 0.000 0.959 669 R CB -0.047 29.455 30.300 -1.330 0.000 0.856 669 R HN 0.248 nan 8.270 nan 0.000 0.437 670 Y N -2.077 117.882 120.300 -0.569 0.000 2.524 670 Y HA 0.214 4.765 4.550 0.000 0.000 0.270 670 Y C 1.771 177.472 175.900 -0.332 0.000 1.094 670 Y CA 0.036 57.800 58.100 -0.561 0.000 1.276 670 Y CB 0.330 38.329 38.460 -0.767 0.000 1.130 670 Y HN -0.036 nan 8.280 nan 0.000 0.536 671 M N -0.216 119.258 119.600 -0.209 0.000 2.382 671 M HA 0.349 4.830 4.480 0.000 0.000 0.247 671 M C 1.095 177.405 176.300 0.017 0.000 1.104 671 M CA 0.767 55.947 55.300 -0.199 0.000 1.030 671 M CB -0.559 31.730 32.600 -0.518 0.000 1.424 671 M HN 0.354 nan 8.290 nan 0.000 0.486 672 G N 1.767 110.594 108.800 0.046 0.000 2.645 672 G HA2 -0.227 3.733 3.960 0.000 0.000 0.246 672 G HA3 -0.227 3.733 3.960 0.000 0.000 0.246 672 G C -0.692 174.354 174.900 0.242 0.000 1.322 672 G CA -0.757 44.414 45.100 0.119 0.000 0.898 672 G HN 0.281 nan 8.290 nan 0.000 0.573 673 L N 2.215 123.547 121.223 0.182 0.000 2.399 673 L HA 0.500 4.840 4.340 0.000 0.000 0.266 673 L C -1.111 175.777 176.870 0.031 0.000 1.114 673 L CA -1.338 53.568 54.840 0.110 0.000 0.804 673 L CB 1.264 43.348 42.059 0.041 0.000 1.146 673 L HN 0.456 nan 8.230 nan 0.000 0.451 674 P HA 0.085 nan 4.420 nan 0.000 0.220 674 P C -0.622 176.525 177.300 -0.254 0.000 1.793 674 P CA -0.181 62.497 63.100 -0.703 0.000 0.917 674 P CB -0.341 30.713 31.700 -1.077 0.000 1.755 675 T N -3.269 111.228 114.554 -0.096 0.000 2.918 675 T HA 0.427 4.777 4.350 0.000 0.000 0.286 675 T C -1.795 172.906 174.700 0.002 0.000 1.026 675 T CA -2.412 59.664 62.100 -0.040 0.000 1.031 675 T CB 1.944 70.801 68.868 -0.019 0.000 1.046 675 T HN -0.208 nan 8.240 nan 0.000 0.479 676 P HA -0.086 nan 4.420 nan 0.000 0.220 676 P C 0.742 178.061 177.300 0.031 0.000 1.148 676 P CA 1.145 64.259 63.100 0.024 0.000 0.803 676 P CB 0.205 31.915 31.700 0.016 0.000 0.782 677 E N -0.606 119.609 120.200 0.024 0.000 2.274 677 E HA -0.095 4.256 4.350 0.000 0.000 0.194 677 E C 1.635 178.257 176.600 0.036 0.000 0.996 677 E CA 0.855 57.270 56.400 0.025 0.000 0.840 677 E CB -0.442 29.268 29.700 0.017 0.000 0.772 677 E HN 0.323 nan 8.360 nan 0.000 0.491 678 D N -0.318 120.110 120.400 0.047 0.000 2.685 678 D HA 0.070 4.711 4.640 0.000 0.000 0.254 678 D C 0.277 176.637 176.300 0.100 0.000 1.414 678 D CA 0.243 54.283 54.000 0.067 0.000 1.145 678 D CB -0.024 40.819 40.800 0.072 0.000 0.941 678 D HN 0.018 nan 8.370 nan 0.000 0.250 679 N N 0.012 118.806 118.700 0.157 0.000 2.433 679 N HA 0.048 4.788 4.740 0.000 0.000 0.270 679 N C 1.108 176.829 175.510 0.352 0.000 1.354 679 N CA -0.152 53.038 53.050 0.233 0.000 0.889 679 N CB 0.633 39.271 38.487 0.252 0.000 1.285 679 N HN 0.001 nan 8.380 nan 0.000 0.503 680 L N 1.028 122.374 121.223 0.205 0.000 2.042 680 L HA -0.145 4.195 4.340 0.000 0.000 0.210 680 L C 1.626 178.616 176.870 0.200 0.000 1.076 680 L CA 1.980 56.915 54.840 0.158 0.000 0.749 680 L CB -0.499 41.583 42.059 0.038 0.000 0.893 680 L HN 0.214 nan 8.230 nan 0.000 0.432 681 D N -1.243 119.250 120.400 0.156 0.000 2.133 681 D HA -0.292 4.348 4.640 0.000 0.000 0.192 681 D C 2.051 178.446 176.300 0.158 0.000 1.001 681 D CA 1.944 56.023 54.000 0.131 0.000 0.844 681 D CB -0.160 40.706 40.800 0.110 0.000 0.944 681 D HN 0.577 nan 8.370 nan 0.000 0.447 682 H N -0.781 118.355 119.070 0.111 0.000 2.457 682 H HA -0.086 4.470 4.556 0.000 0.000 0.294 682 H C 1.769 177.161 175.328 0.106 0.000 1.064 682 H CA 1.214 57.303 56.048 0.069 0.000 1.330 682 H CB -0.283 29.483 29.762 0.007 0.000 1.395 682 H HN 0.168 nan 8.280 nan 0.000 0.541 683 Y N 0.275 120.574 120.300 -0.001 0.000 2.128 683 Y HA -0.185 4.365 4.550 0.000 0.000 0.284 683 Y C 2.446 178.310 175.900 -0.059 0.000 1.154 683 Y CA 1.553 59.654 58.100 0.001 0.000 1.149 683 Y CB 0.108 38.600 38.460 0.052 0.000 0.976 683 Y HN 0.121 nan 8.280 nan 0.000 0.505 684 R N -0.190 120.383 120.500 0.122 0.000 2.115 684 R HA -0.065 4.275 4.340 0.000 0.000 0.226 684 R C 1.364 177.653 176.300 -0.019 0.000 1.100 684 R CA 1.051 57.172 56.100 0.034 0.000 0.980 684 R CB -0.836 29.486 30.300 0.037 0.000 0.875 684 R HN 0.374 nan 8.270 nan 0.000 0.445 685 N N 0.140 118.810 118.700 -0.051 0.000 2.463 685 N HA -0.066 4.674 4.740 0.000 0.000 0.181 685 N C 0.644 176.078 175.510 -0.126 0.000 1.078 685 N CA 0.731 53.742 53.050 -0.064 0.000 0.902 685 N CB 0.264 38.746 38.487 -0.008 0.000 0.970 685 N HN 0.137 nan 8.380 nan 0.000 0.451 686 S N -1.313 114.262 115.700 -0.209 0.000 2.574 686 S HA 0.109 4.579 4.470 0.000 0.000 0.242 686 S C 0.560 175.170 174.600 0.017 0.000 0.982 686 S CA -0.717 57.409 58.200 -0.124 0.000 0.977 686 S CB -0.645 62.410 63.200 -0.242 0.000 0.814 686 S HN 0.199 nan 8.310 nan 0.000 0.464 687 T N -1.330 113.202 114.554 -0.038 0.000 2.882 687 T HA 0.486 4.836 4.350 0.000 0.000 0.287 687 T C 1.317 175.994 174.700 -0.039 0.000 1.014 687 T CA -0.564 61.501 62.100 -0.059 0.000 1.049 687 T CB 1.246 70.052 68.868 -0.104 0.000 1.001 687 T HN -0.039 nan 8.240 nan 0.000 0.525 688 V N 2.433 122.321 119.914 -0.043 0.000 2.379 688 V HA -0.131 3.989 4.120 0.000 0.000 0.245 688 V C 2.762 178.833 176.094 -0.038 0.000 1.044 688 V CA 1.671 63.945 62.300 -0.042 0.000 1.036 688 V CB -0.836 30.960 31.823 -0.044 0.000 0.664 688 V HN 0.884 nan 8.190 nan 0.000 0.453 689 M N 1.320 120.879 119.600 -0.069 0.000 2.267 689 M HA -0.124 4.357 4.480 0.000 0.000 0.263 689 M C 2.323 178.601 176.300 -0.037 0.000 1.063 689 M CA 2.214 57.469 55.300 -0.074 0.000 1.090 689 M CB -2.063 30.495 32.600 -0.069 0.000 1.392 689 M HN 0.566 nan 8.290 nan 0.000 0.422 690 S N 0.666 116.349 115.700 -0.028 0.000 2.469 690 S HA -0.064 4.406 4.470 0.000 0.000 0.238 690 S C 1.798 176.400 174.600 0.003 0.000 0.998 690 S CA 0.648 58.839 58.200 -0.015 0.000 0.957 690 S CB -0.464 62.723 63.200 -0.021 0.000 0.764 690 S HN 0.636 nan 8.310 nan 0.000 0.514 691 R N 0.285 120.799 120.500 0.024 0.000 2.362 691 R HA 0.472 4.812 4.340 0.000 0.000 0.227 691 R C 2.257 178.657 176.300 0.167 0.000 0.905 691 R CA 0.422 56.555 56.100 0.054 0.000 1.067 691 R CB -0.241 30.069 30.300 0.018 0.000 1.078 691 R HN 0.446 nan 8.270 nan 0.000 0.516 692 A N 1.766 124.662 122.820 0.126 0.000 1.909 692 A HA -0.341 3.980 4.320 0.000 0.000 0.221 692 A C 2.017 179.715 177.584 0.190 0.000 1.223 692 A CA 2.194 54.297 52.037 0.110 0.000 0.658 692 A CB -0.438 18.541 19.000 -0.035 0.000 0.831 692 A HN 0.292 nan 8.150 nan 0.000 0.462 693 E N 0.395 120.656 120.200 0.101 0.000 2.147 693 E HA -0.207 4.143 4.350 0.000 0.000 0.199 693 E C 1.588 178.238 176.600 0.083 0.000 1.005 693 E CA 2.000 58.447 56.400 0.079 0.000 0.810 693 E CB -0.590 29.136 29.700 0.043 0.000 0.736 693 E HN 0.811 nan 8.360 nan 0.000 0.460 694 N N -1.284 117.450 118.700 0.058 0.000 2.515 694 N HA -0.044 4.696 4.740 0.000 0.000 0.185 694 N C 0.556 176.017 175.510 -0.082 0.000 1.109 694 N CA -0.048 52.983 53.050 -0.031 0.000 0.903 694 N CB -0.070 38.351 38.487 -0.110 0.000 0.969 694 N HN 0.138 nan 8.380 nan 0.000 0.450 695 F N 1.456 121.365 119.950 -0.070 0.000 2.699 695 F HA 0.059 4.586 4.527 0.000 0.000 0.298 695 F C 1.925 177.730 175.800 0.008 0.000 1.154 695 F CA 0.604 58.559 58.000 -0.074 0.000 1.457 695 F CB 0.097 39.012 39.000 -0.140 0.000 1.106 695 F HN -0.094 nan 8.300 nan 0.000 0.585 696 K N -0.317 120.175 120.400 0.154 0.000 2.209 696 K HA -0.152 4.168 4.320 0.000 0.000 0.204 696 K C 1.409 178.069 176.600 0.100 0.000 1.048 696 K CA 0.875 57.237 56.287 0.126 0.000 0.940 696 K CB -0.060 32.493 32.500 0.089 0.000 0.729 696 K HN 0.207 nan 8.250 nan 0.000 0.451 697 Q N 0.315 120.153 119.800 0.063 0.000 2.246 697 Q HA 0.062 4.402 4.340 0.000 0.000 0.202 697 Q C -0.013 176.031 176.000 0.073 0.000 0.883 697 Q CA 0.168 56.004 55.803 0.055 0.000 0.952 697 Q CB 0.631 29.384 28.738 0.026 0.000 1.078 697 Q HN 0.152 nan 8.270 nan 0.000 0.493 698 V N -3.488 116.490 119.914 0.106 0.000 3.114 698 V HA 0.501 4.622 4.120 0.000 0.000 0.308 698 V C -0.752 175.494 176.094 0.253 0.000 1.168 698 V CA -1.240 61.150 62.300 0.150 0.000 1.015 698 V CB 2.430 34.307 31.823 0.089 0.000 1.050 698 V HN -0.032 nan 8.190 nan 0.000 0.433 699 E N 2.078 122.453 120.200 0.292 0.000 2.089 699 E HA 0.366 4.717 4.350 0.000 0.000 0.284 699 E C -1.779 175.186 176.600 0.608 0.000 1.023 699 E CA -0.309 56.331 56.400 0.400 0.000 0.819 699 E CB 1.474 31.349 29.700 0.292 0.000 1.076 699 E HN 0.680 nan 8.360 nan 0.000 0.396 700 Y N 3.552 124.102 120.300 0.416 0.000 2.377 700 Y HA 0.410 4.960 4.550 0.000 0.000 0.339 700 Y C -1.235 174.741 175.900 0.126 0.000 1.011 700 Y CA -1.208 57.085 58.100 0.321 0.000 1.093 700 Y CB 0.941 39.611 38.460 0.349 0.000 1.201 700 Y HN 0.413 nan 8.280 nan 0.000 0.455 701 L N 8.086 129.046 121.223 -0.438 0.000 2.343 701 L HA 0.470 4.810 4.340 0.000 0.000 0.278 701 L C -1.696 174.701 176.870 -0.789 0.000 0.996 701 L CA -0.748 53.659 54.840 -0.722 0.000 0.831 701 L CB 1.100 42.408 42.059 -1.252 0.000 1.232 701 L HN 0.666 nan 8.230 nan 0.000 0.413 702 L N 6.381 127.219 121.223 -0.642 0.000 2.287 702 L HA 0.580 4.920 4.340 0.000 0.000 0.287 702 L C -0.855 175.885 176.870 -0.218 0.000 1.022 702 L CA -0.434 54.090 54.840 -0.527 0.000 0.814 702 L CB 1.511 43.311 42.059 -0.431 0.000 1.217 702 L HN 0.607 nan 8.230 nan 0.000 0.420 703 I N 4.005 124.470 120.570 -0.175 0.000 2.608 703 I HA 0.508 4.678 4.170 0.000 0.000 0.295 703 I C -0.978 175.146 176.117 0.012 0.000 1.049 703 I CA -0.763 60.498 61.300 -0.066 0.000 1.063 703 I CB 2.108 40.031 38.000 -0.128 0.000 1.248 703 I HN 0.531 nan 8.210 nan 0.000 0.424 704 H N 2.806 121.926 119.070 0.084 0.000 3.151 704 H HA 0.307 4.863 4.556 0.000 0.000 0.333 704 H C -0.849 174.721 175.328 0.403 0.000 1.093 704 H CA -0.567 55.578 56.048 0.161 0.000 1.342 704 H CB 2.152 31.947 29.762 0.054 0.000 1.983 704 H HN 0.763 nan 8.280 nan 0.000 0.503 705 G N 1.267 110.419 108.800 0.588 0.000 2.432 705 G HA2 0.229 4.190 3.960 0.000 0.000 0.257 705 G HA3 0.229 4.190 3.960 0.000 0.000 0.257 705 G C 1.164 176.365 174.900 0.503 0.000 1.238 705 G CA 0.269 45.671 45.100 0.505 0.000 0.838 705 G HN 0.658 nan 8.290 nan 0.000 0.547 706 T N -0.843 113.831 114.554 0.201 0.000 2.995 706 T HA 0.092 4.442 4.350 0.000 0.000 0.269 706 T C 1.798 176.487 174.700 -0.018 0.000 1.091 706 T CA 1.311 63.329 62.100 -0.137 0.000 1.128 706 T CB 0.131 68.871 68.868 -0.214 0.000 0.891 706 T HN 0.685 nan 8.240 nan 0.000 0.492 707 A N 1.014 123.902 122.820 0.113 0.000 2.507 707 A HA 0.277 4.597 4.320 0.000 0.000 0.270 707 A C 0.539 178.092 177.584 -0.051 0.000 1.318 707 A CA -0.463 51.624 52.037 0.083 0.000 0.924 707 A CB -0.351 18.938 19.000 0.481 0.000 1.061 707 A HN 0.422 nan 8.150 nan 0.000 0.516 708 D N 1.582 121.997 120.400 0.024 0.000 2.363 708 D HA -0.030 4.610 4.640 0.000 0.000 0.263 708 D C 0.232 176.517 176.300 -0.026 0.000 1.258 708 D CA 0.275 54.382 54.000 0.179 0.000 0.907 708 D CB 0.651 41.731 40.800 0.468 0.000 1.107 708 D HN 0.576 nan 8.370 nan 0.000 0.495 709 D N 2.342 122.774 120.400 0.053 0.000 2.350 709 D HA -0.117 4.523 4.640 0.000 0.000 0.213 709 D C 0.860 177.193 176.300 0.056 0.000 1.031 709 D CA -0.160 53.809 54.000 -0.051 0.000 0.861 709 D CB 0.439 41.155 40.800 -0.141 0.000 0.926 709 D HN 0.200 nan 8.370 nan 0.000 0.520 710 N N 0.790 119.627 118.700 0.228 0.000 2.426 710 N HA -0.041 4.699 4.740 0.000 0.000 0.205 710 N C -0.053 175.495 175.510 0.064 0.000 1.040 710 N CA 0.554 53.775 53.050 0.284 0.000 0.990 710 N CB 0.371 38.950 38.487 0.153 0.000 1.215 710 N HN -0.112 nan 8.380 nan 0.000 0.491 711 V N 3.134 123.105 119.914 0.095 0.000 2.288 711 V HA 0.222 4.342 4.120 0.000 0.000 0.266 711 V C -0.476 175.751 176.094 0.223 0.000 1.048 711 V CA -0.472 61.904 62.300 0.126 0.000 0.842 711 V CB -0.519 31.431 31.823 0.211 0.000 1.064 711 V HN 0.304 nan 8.190 nan 0.000 0.472 712 H N 3.238 122.310 119.070 0.003 0.000 3.038 712 H HA -0.059 4.497 4.556 0.000 0.000 0.338 712 H C 0.845 176.074 175.328 -0.166 0.000 1.041 712 H CA -0.066 55.907 56.048 -0.125 0.000 1.394 712 H CB 0.725 30.312 29.762 -0.292 0.000 1.357 712 H HN 0.616 nan 8.280 nan 0.000 0.600 713 F N 2.220 122.012 119.950 -0.264 0.000 2.225 713 F HA -0.312 4.215 4.527 0.000 0.000 0.302 713 F C 2.583 178.117 175.800 -0.442 0.000 1.068 713 F CA 1.828 59.455 58.000 -0.621 0.000 1.327 713 F CB -0.241 38.559 39.000 -0.334 0.000 1.043 713 F HN 0.677 nan 8.300 nan 0.000 0.506 714 Q N 0.164 119.830 119.800 -0.223 0.000 2.118 714 Q HA -0.330 4.010 4.340 0.000 0.000 0.211 714 Q C 2.108 177.875 176.000 -0.389 0.000 0.998 714 Q CA 2.447 58.060 55.803 -0.315 0.000 0.872 714 Q CB -0.419 28.090 28.738 -0.382 0.000 0.925 714 Q HN 0.564 nan 8.270 nan 0.000 0.414 715 Q N -0.129 119.492 119.800 -0.300 0.000 2.045 715 Q HA -0.162 4.179 4.340 0.000 0.000 0.206 715 Q C 2.326 178.215 176.000 -0.184 0.000 0.991 715 Q CA 1.911 57.654 55.803 -0.101 0.000 0.851 715 Q CB -0.315 28.432 28.738 0.015 0.000 0.911 715 Q HN 0.352 nan 8.270 nan 0.000 0.418 716 S N 0.413 115.882 115.700 -0.385 0.000 2.428 716 S HA -0.004 4.467 4.470 0.000 0.000 0.230 716 S C 1.957 176.289 174.600 -0.446 0.000 1.014 716 S CA 0.716 58.683 58.200 -0.389 0.000 0.957 716 S CB -0.071 62.856 63.200 -0.455 0.000 0.784 716 S HN 0.474 nan 8.310 nan 0.000 0.499 717 A N 1.035 123.507 122.820 -0.579 0.000 1.969 717 A HA -0.067 4.253 4.320 0.000 0.000 0.218 717 A C 2.067 179.541 177.584 -0.183 0.000 1.169 717 A CA 0.937 52.760 52.037 -0.356 0.000 0.635 717 A CB -0.290 18.551 19.000 -0.265 0.000 0.810 717 A HN 0.352 nan 8.150 nan 0.000 0.445 718 Q N -0.530 119.175 119.800 -0.158 0.000 2.311 718 Q HA 0.072 4.412 4.340 0.000 0.000 0.203 718 Q C 1.968 177.914 176.000 -0.091 0.000 0.954 718 Q CA 0.712 56.477 55.803 -0.063 0.000 0.885 718 Q CB -0.142 28.635 28.738 0.064 0.000 0.963 718 Q HN 0.777 nan 8.270 nan 0.000 0.471 719 I N 0.789 121.272 120.570 -0.145 0.000 2.235 719 I HA -0.231 3.939 4.170 0.000 0.000 0.241 719 I C 2.522 178.472 176.117 -0.279 0.000 1.085 719 I CA 1.213 62.387 61.300 -0.209 0.000 1.378 719 I CB -0.448 37.427 38.000 -0.207 0.000 1.076 719 I HN 0.159 nan 8.210 nan 0.000 0.415 720 S N 1.352 116.906 115.700 -0.243 0.000 2.365 720 S HA -0.325 4.145 4.470 0.000 0.000 0.225 720 S C 2.042 176.624 174.600 -0.030 0.000 1.039 720 S CA 1.810 59.914 58.200 -0.160 0.000 1.033 720 S CB -0.606 62.650 63.200 0.093 0.000 0.887 720 S HN 0.365 nan 8.310 nan 0.000 0.447 721 K N 1.708 122.089 120.400 -0.032 0.000 2.152 721 K HA 0.027 4.347 4.320 0.000 0.000 0.206 721 K C 2.157 178.743 176.600 -0.022 0.000 1.048 721 K CA 1.100 57.384 56.287 -0.005 0.000 0.933 721 K CB -0.614 31.876 32.500 -0.016 0.000 0.721 721 K HN 0.493 nan 8.250 nan 0.000 0.447 722 A N 0.704 123.480 122.820 -0.074 0.000 1.929 722 A HA -0.022 4.299 4.320 0.000 0.000 0.216 722 A C 1.994 179.528 177.584 -0.085 0.000 1.176 722 A CA 0.913 52.903 52.037 -0.079 0.000 0.628 722 A CB -0.375 18.559 19.000 -0.110 0.000 0.816 722 A HN 0.291 nan 8.150 nan 0.000 0.444 723 L N -0.751 120.384 121.223 -0.148 0.000 2.072 723 L HA -0.108 4.232 4.340 0.000 0.000 0.205 723 L C 2.459 179.370 176.870 0.069 0.000 1.079 723 L CA 0.737 55.510 54.840 -0.112 0.000 0.752 723 L CB -0.530 41.320 42.059 -0.348 0.000 0.906 723 L HN 0.208 nan 8.230 nan 0.000 0.436 724 V N -0.088 119.898 119.914 0.120 0.000 2.343 724 V HA -0.295 3.826 4.120 0.000 0.000 0.247 724 V C 2.020 178.154 176.094 0.067 0.000 1.051 724 V CA 1.889 64.266 62.300 0.129 0.000 1.036 724 V CB -0.474 31.419 31.823 0.116 0.000 0.654 724 V HN 0.420 nan 8.190 nan 0.000 0.451 725 D N -0.446 119.977 120.400 0.038 0.000 2.218 725 D HA -0.096 4.545 4.640 0.000 0.000 0.204 725 D C 1.811 178.128 176.300 0.028 0.000 0.976 725 D CA 0.940 54.955 54.000 0.025 0.000 0.853 725 D CB 0.033 40.839 40.800 0.010 0.000 0.939 725 D HN 0.332 nan 8.370 nan 0.000 0.481 726 V N -0.706 119.227 119.914 0.032 0.000 3.647 726 V HA 0.199 4.319 4.120 0.000 0.000 0.279 726 V C 1.419 177.547 176.094 0.056 0.000 1.314 726 V CA 0.719 63.042 62.300 0.038 0.000 1.125 726 V CB 0.208 32.050 31.823 0.032 0.000 0.907 726 V HN 0.362 nan 8.190 nan 0.000 0.434 727 G N 0.851 109.692 108.800 0.068 0.000 2.176 727 G HA2 -0.212 3.748 3.960 0.000 0.000 0.252 727 G HA3 -0.212 3.748 3.960 0.000 0.000 0.252 727 G C 0.091 175.054 174.900 0.104 0.000 1.024 727 G CA 0.306 45.452 45.100 0.077 0.000 0.755 727 G HN 0.435 nan 8.290 nan 0.000 0.507 728 V N 0.570 120.567 119.914 0.139 0.000 2.407 728 V HA 0.501 4.621 4.120 0.000 0.000 0.278 728 V C 0.435 176.707 176.094 0.297 0.000 1.037 728 V CA -0.418 61.995 62.300 0.188 0.000 0.900 728 V CB 1.722 33.653 31.823 0.179 0.000 0.983 728 V HN 0.428 nan 8.190 nan 0.000 0.459 729 D N 3.742 124.294 120.400 0.254 0.000 2.313 729 D HA 0.625 5.265 4.640 0.000 0.000 0.247 729 D C -0.536 175.999 176.300 0.392 0.000 1.094 729 D CA 0.059 54.191 54.000 0.220 0.000 0.925 729 D CB 0.938 41.801 40.800 0.105 0.000 1.188 729 D HN 0.357 nan 8.370 nan 0.000 0.430 730 F N -0.731 119.282 119.950 0.104 0.000 2.877 730 F HA 0.461 4.988 4.527 0.000 0.000 0.319 730 F C -1.499 174.341 175.800 0.067 0.000 1.174 730 F CA -1.144 56.934 58.000 0.129 0.000 0.903 730 F CB 0.642 39.738 39.000 0.161 0.000 1.357 730 F HN 0.096 nan 8.300 nan 0.000 0.472 731 Q N 1.223 121.138 119.800 0.192 0.000 2.274 731 Q HA 0.811 5.151 4.340 0.000 0.000 0.260 731 Q C -0.806 175.218 176.000 0.041 0.000 0.974 731 Q CA -0.698 55.114 55.803 0.016 0.000 0.876 731 Q CB 2.068 30.802 28.738 -0.007 0.000 1.297 731 Q HN 1.030 nan 8.270 nan 0.000 0.446 732 A N 1.931 124.739 122.820 -0.019 0.000 2.527 732 A HA 0.895 5.215 4.320 0.000 0.000 0.293 732 A C -1.254 176.301 177.584 -0.048 0.000 1.117 732 A CA -0.564 51.491 52.037 0.030 0.000 0.723 732 A CB 1.973 21.034 19.000 0.103 0.000 1.313 732 A HN 0.616 nan 8.150 nan 0.000 0.411 733 M N 0.957 120.522 119.600 -0.058 0.000 2.342 733 M HA 0.511 4.991 4.480 0.000 0.000 0.260 733 M C -2.215 173.988 176.300 -0.161 0.000 1.023 733 M CA -0.580 54.546 55.300 -0.290 0.000 0.919 733 M CB 0.892 33.250 32.600 -0.404 0.000 2.048 733 M HN 1.060 nan 8.290 nan 0.000 0.479 734 W N 4.302 125.436 121.300 -0.277 0.000 2.647 734 W HA 0.841 5.502 4.660 0.000 0.000 0.353 734 W C -2.081 174.161 176.519 -0.462 0.000 1.080 734 W CA -0.862 56.399 57.345 -0.139 0.000 1.208 734 W CB 0.674 30.112 29.460 -0.036 0.000 1.396 734 W HN 0.611 nan 8.180 nan 0.000 0.573 735 Y N 2.097 122.528 120.300 0.218 0.000 2.363 735 Y HA 0.304 4.855 4.550 0.000 0.000 0.325 735 Y C 0.742 176.750 175.900 0.181 0.000 0.984 735 Y CA -1.149 56.993 58.100 0.070 0.000 1.248 735 Y CB 1.515 40.003 38.460 0.046 0.000 1.116 735 Y HN 0.645 nan 8.280 nan 0.000 0.470 736 T N 1.204 115.924 114.554 0.277 0.000 2.928 736 T HA 0.089 4.440 4.350 0.000 0.000 0.305 736 T C 0.469 175.236 174.700 0.111 0.000 1.035 736 T CA 0.342 62.545 62.100 0.173 0.000 1.145 736 T CB 0.208 69.097 68.868 0.034 0.000 0.963 736 T HN 0.777 nan 8.240 nan 0.000 0.545 737 D N 0.891 121.331 120.400 0.067 0.000 3.077 737 D HA -0.113 4.527 4.640 0.000 0.000 0.217 737 D C -0.019 176.413 176.300 0.221 0.000 1.162 737 D CA 1.156 55.135 54.000 -0.036 0.000 0.943 737 D CB -0.664 39.910 40.800 -0.377 0.000 1.122 737 D HN 0.721 nan 8.370 nan 0.000 0.413 738 E N 0.718 121.065 120.200 0.245 0.000 2.283 738 E HA 0.383 4.733 4.350 0.000 0.000 0.271 738 E C 0.674 177.456 176.600 0.304 0.000 1.031 738 E CA -0.361 56.201 56.400 0.270 0.000 0.868 738 E CB 1.359 31.204 29.700 0.242 0.000 1.094 738 E HN 0.314 nan 8.360 nan 0.000 0.401 739 D N -0.922 119.666 120.400 0.314 0.000 2.589 739 D HA 0.025 4.665 4.640 0.000 0.000 0.268 739 D C 1.030 177.548 176.300 0.363 0.000 1.182 739 D CA -0.313 53.894 54.000 0.344 0.000 1.087 739 D CB -0.158 40.873 40.800 0.385 0.000 1.186 739 D HN 0.413 nan 8.370 nan 0.000 0.620 740 H N -1.569 117.681 119.070 0.300 0.000 2.492 740 H HA 0.048 4.604 4.556 0.000 0.000 0.296 740 H C 1.830 177.416 175.328 0.430 0.000 1.095 740 H CA 2.222 58.468 56.048 0.330 0.000 1.281 740 H CB -0.295 29.650 29.762 0.307 0.000 1.374 740 H HN 0.497 nan 8.280 nan 0.000 0.545 741 G N -0.562 108.432 108.800 0.324 0.000 2.838 741 G HA2 0.038 3.998 3.960 0.000 0.000 0.210 741 G HA3 0.038 3.998 3.960 0.000 0.000 0.210 741 G C 0.654 175.761 174.900 0.345 0.000 1.153 741 G CA 0.235 45.468 45.100 0.223 0.000 0.778 741 G HN 0.502 nan 8.290 nan 0.000 0.539 742 I N 0.244 121.019 120.570 0.341 0.000 5.158 742 I HA -0.339 3.831 4.170 0.000 0.000 0.126 742 I C 1.657 177.915 176.117 0.234 0.000 1.344 742 I CA 0.190 61.639 61.300 0.248 0.000 2.637 742 I CB -1.100 37.020 38.000 0.200 0.000 2.338 742 I HN 0.273 nan 8.210 nan 0.000 0.320 743 A N 1.136 124.065 122.820 0.182 0.000 2.308 743 A HA 0.216 4.536 4.320 0.000 0.000 0.217 743 A C 1.247 178.882 177.584 0.085 0.000 1.216 743 A CA 0.581 52.685 52.037 0.112 0.000 0.864 743 A CB 0.065 19.099 19.000 0.056 0.000 0.902 743 A HN 0.667 nan 8.150 nan 0.000 0.499 744 S N -0.147 115.617 115.700 0.107 0.000 2.558 744 S HA 0.093 4.563 4.470 0.000 0.000 0.288 744 S C 1.209 175.861 174.600 0.086 0.000 1.318 744 S CA 0.383 58.637 58.200 0.091 0.000 1.056 744 S CB 0.905 64.163 63.200 0.097 0.000 0.853 744 S HN 0.527 nan 8.310 nan 0.000 0.505 745 S N 2.851 118.589 115.700 0.063 0.000 2.380 745 S HA -0.224 4.246 4.470 0.000 0.000 0.229 745 S C 2.138 176.791 174.600 0.089 0.000 1.050 745 S CA 2.546 60.784 58.200 0.062 0.000 1.100 745 S CB -1.659 61.563 63.200 0.037 0.000 0.984 745 S HN 1.096 nan 8.310 nan 0.000 0.434 746 T N -0.008 114.586 114.554 0.066 0.000 2.777 746 T HA 0.135 4.486 4.350 0.000 0.000 0.266 746 T C 1.983 176.724 174.700 0.069 0.000 1.040 746 T CA 1.441 63.578 62.100 0.061 0.000 1.141 746 T CB -0.996 67.894 68.868 0.037 0.000 0.868 746 T HN 0.511 nan 8.240 nan 0.000 0.444 747 A N 1.683 124.526 122.820 0.039 0.000 1.877 747 A HA -0.140 4.181 4.320 0.000 0.000 0.216 747 A C 2.199 179.738 177.584 -0.075 0.000 1.186 747 A CA 2.174 54.164 52.037 -0.077 0.000 0.620 747 A CB -1.367 17.552 19.000 -0.135 0.000 0.822 747 A HN 0.737 nan 8.150 nan 0.000 0.443 748 H N 0.180 119.231 119.070 -0.032 0.000 2.289 748 H HA -0.198 4.358 4.556 0.000 0.000 0.296 748 H C 2.146 177.538 175.328 0.107 0.000 1.091 748 H CA 2.516 58.603 56.048 0.066 0.000 1.274 748 H CB -0.268 29.532 29.762 0.063 0.000 1.364 748 H HN 0.621 nan 8.280 nan 0.000 0.490 749 Q N -1.184 118.609 119.800 -0.013 0.000 2.167 749 Q HA -0.183 4.157 4.340 0.000 0.000 0.202 749 Q C 2.184 178.167 176.000 -0.028 0.000 0.970 749 Q CA 1.290 57.048 55.803 -0.075 0.000 0.855 749 Q CB -0.208 28.528 28.738 -0.004 0.000 0.911 749 Q HN 0.671 nan 8.270 nan 0.000 0.438 750 H N 0.985 120.019 119.070 -0.060 0.000 2.363 750 H HA -0.009 4.547 4.556 0.000 0.000 0.301 750 H C 2.000 177.320 175.328 -0.014 0.000 1.074 750 H CA 1.025 57.069 56.048 -0.007 0.000 1.354 750 H CB 0.103 29.905 29.762 0.066 0.000 1.397 750 H HN 0.274 nan 8.280 nan 0.000 0.516 751 I N 0.182 120.691 120.570 -0.103 0.000 2.252 751 I HA -0.306 3.864 4.170 0.000 0.000 0.245 751 I C 1.692 177.552 176.117 -0.427 0.000 1.102 751 I CA 1.163 62.326 61.300 -0.229 0.000 1.385 751 I CB -0.261 37.455 38.000 -0.475 0.000 1.064 751 I HN 0.140 nan 8.210 nan 0.000 0.414 752 Y N 0.834 120.909 120.300 -0.374 0.000 2.373 752 Y HA -0.169 4.381 4.550 0.000 0.000 0.293 752 Y C 2.664 178.350 175.900 -0.357 0.000 1.129 752 Y CA 1.662 59.445 58.100 -0.529 0.000 1.226 752 Y CB -0.592 37.557 38.460 -0.519 0.000 1.000 752 Y HN 0.147 nan 8.280 nan 0.000 0.549 753 T N -1.834 112.624 114.554 -0.160 0.000 2.770 753 T HA -0.185 4.165 4.350 0.000 0.000 0.263 753 T C 1.561 176.143 174.700 -0.198 0.000 1.039 753 T CA 1.657 63.643 62.100 -0.190 0.000 1.142 753 T CB -0.378 68.397 68.868 -0.154 0.000 0.868 753 T HN 0.376 nan 8.240 nan 0.000 0.435 754 H N 1.097 120.018 119.070 -0.249 0.000 2.321 754 H HA 0.071 4.627 4.556 0.000 0.000 0.300 754 H C 2.150 177.446 175.328 -0.053 0.000 1.087 754 H CA 1.667 57.646 56.048 -0.114 0.000 1.319 754 H CB -0.308 29.328 29.762 -0.209 0.000 1.379 754 H HN 0.259 nan 8.280 nan 0.000 0.501 755 M N -0.772 118.732 119.600 -0.160 0.000 2.159 755 M HA -0.182 4.299 4.480 0.000 0.000 0.263 755 M C 2.443 178.827 176.300 0.139 0.000 1.063 755 M CA 1.635 56.838 55.300 -0.162 0.000 1.110 755 M CB -0.041 32.192 32.600 -0.611 0.000 1.374 755 M HN 0.199 nan 8.290 nan 0.000 0.411 756 S N -0.576 115.227 115.700 0.171 0.000 2.353 756 S HA -0.170 4.300 4.470 0.000 0.000 0.222 756 S C 1.714 176.391 174.600 0.128 0.000 1.035 756 S CA 1.113 59.501 58.200 0.313 0.000 1.025 756 S CB -0.663 62.675 63.200 0.231 0.000 0.902 756 S HN 0.468 nan 8.310 nan 0.000 0.440 757 H N 0.061 119.184 119.070 0.090 0.000 2.319 757 H HA -0.086 4.470 4.556 0.000 0.000 0.299 757 H C 2.014 177.340 175.328 -0.004 0.000 1.092 757 H CA 1.517 57.578 56.048 0.022 0.000 1.302 757 H CB -0.868 28.872 29.762 -0.037 0.000 1.373 757 H HN 0.441 nan 8.280 nan 0.000 0.497 758 F N 1.312 121.242 119.950 -0.033 0.000 2.095 758 F HA -0.205 4.322 4.527 0.000 0.000 0.298 758 F C 2.305 178.058 175.800 -0.079 0.000 1.104 758 F CA 0.994 58.940 58.000 -0.089 0.000 1.232 758 F CB -0.322 38.584 39.000 -0.157 0.000 0.987 758 F HN -0.032 nan 8.300 nan 0.000 0.475 759 I N 1.517 122.039 120.570 -0.079 0.000 2.252 759 I HA -0.256 3.914 4.170 0.000 0.000 0.245 759 I C 2.321 178.196 176.117 -0.404 0.000 1.102 759 I CA 1.669 62.759 61.300 -0.350 0.000 1.385 759 I CB -1.442 36.424 38.000 -0.223 0.000 1.064 759 I HN 0.308 nan 8.210 nan 0.000 0.414 760 K N 0.657 120.976 120.400 -0.135 0.000 2.366 760 K HA -0.152 4.168 4.320 0.000 0.000 0.198 760 K C 1.838 178.431 176.600 -0.011 0.000 1.044 760 K CA 0.652 56.925 56.287 -0.025 0.000 0.973 760 K CB -0.285 32.252 32.500 0.061 0.000 0.767 760 K HN 0.337 nan 8.250 nan 0.000 0.475 761 Q N 1.739 121.492 119.800 -0.078 0.000 2.137 761 Q HA -0.134 4.206 4.340 0.000 0.000 0.198 761 Q C 2.054 177.991 176.000 -0.104 0.000 0.960 761 Q CA 1.559 57.318 55.803 -0.073 0.000 0.847 761 Q CB -0.368 28.314 28.738 -0.094 0.000 0.915 761 Q HN 0.433 nan 8.270 nan 0.000 0.448 762 c N 0.204 118.660 118.600 -0.240 0.000 2.450 762 c HA 0.003 4.573 4.570 0.000 0.000 0.279 762 c C 2.335 176.511 174.090 0.144 0.000 1.335 762 c CA 0.232 56.457 56.329 -0.173 0.000 1.749 762 c CB -1.249 41.006 42.510 -0.426 0.000 1.963 762 c HN 0.528 nan 8.230 nan 0.000 0.501 763 F N 1.282 121.187 119.950 -0.075 0.000 2.473 763 F HA 0.265 4.792 4.527 0.000 0.000 0.294 763 F C 1.801 177.585 175.800 -0.027 0.000 1.103 763 F CA 0.243 58.221 58.000 -0.037 0.000 1.442 763 F CB -1.069 37.914 39.000 -0.027 0.000 1.097 763 F HN 0.144 nan 8.300 nan 0.000 0.547 764 S N 0.000 115.798 115.700 0.164 0.000 2.498 764 S HA 0.000 4.470 4.470 0.000 0.000 0.327 764 S CA 0.000 58.252 58.200 0.086 0.000 1.107 764 S CB 0.000 63.242 63.200 0.069 0.000 0.593 764 S HN 0.000 nan 8.310 nan 0.000 0.517