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 1w1i_1_D DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.655 174.600 0.092 0.000 1.055 39 S CA 0.000 58.278 58.200 0.130 0.000 1.107 39 S CB 0.000 63.242 63.200 0.070 0.000 0.593 40 R N 2.147 122.703 120.500 0.094 0.000 2.544 40 R HA 0.551 4.891 4.340 0.000 0.000 0.205 40 R C 0.233 176.584 176.300 0.085 0.000 1.324 40 R CA -0.795 55.353 56.100 0.080 0.000 1.008 40 R CB -0.067 30.280 30.300 0.078 0.000 2.138 40 R HN 0.331 nan 8.270 nan 0.000 0.514 41 K N 0.417 120.872 120.400 0.092 0.000 2.138 41 K HA 0.252 4.572 4.320 0.000 0.000 0.251 41 K C -0.416 176.249 176.600 0.108 0.000 1.015 41 K CA -0.528 55.820 56.287 0.102 0.000 0.917 41 K CB 0.871 33.441 32.500 0.117 0.000 1.021 41 K HN 0.632 nan 8.250 nan 0.000 0.485 42 T N -1.938 112.686 114.554 0.117 0.000 2.937 42 T HA 0.166 4.516 4.350 0.000 0.000 0.283 42 T C -0.729 174.086 174.700 0.192 0.000 1.012 42 T CA -0.779 61.397 62.100 0.127 0.000 0.997 42 T CB 0.479 69.412 68.868 0.108 0.000 1.136 42 T HN 0.523 nan 8.240 nan 0.000 0.551 43 Y N 2.580 122.921 120.300 0.068 0.000 2.486 43 Y HA 0.377 4.927 4.550 0.000 0.000 0.348 43 Y C 0.935 176.979 175.900 0.239 0.000 1.000 43 Y CA -0.317 57.857 58.100 0.123 0.000 1.253 43 Y CB -0.247 38.238 38.460 0.041 0.000 1.140 43 Y HN 0.986 nan 8.280 nan 0.000 0.526 44 T N 2.472 117.011 114.554 -0.025 0.000 2.912 44 T HA 0.168 4.518 4.350 0.000 0.000 0.280 44 T C 0.961 175.596 174.700 -0.109 0.000 0.989 44 T CA -0.845 61.310 62.100 0.093 0.000 0.995 44 T CB 1.299 70.192 68.868 0.041 0.000 1.077 44 T HN 0.637 nan 8.240 nan 0.000 0.531 45 L N 1.165 122.174 121.223 -0.357 0.000 2.079 45 L HA -0.006 4.334 4.340 0.000 0.000 0.210 45 L C 2.582 179.298 176.870 -0.257 0.000 1.081 45 L CA 2.131 56.569 54.840 -0.671 0.000 0.752 45 L CB -1.480 40.064 42.059 -0.858 0.000 0.896 45 L HN 0.961 nan 8.230 nan 0.000 0.433 46 T N -0.697 113.750 114.554 -0.179 0.000 2.867 46 T HA -0.135 4.215 4.350 0.000 0.000 0.268 46 T C 1.456 176.083 174.700 -0.122 0.000 1.057 46 T CA 1.277 63.304 62.100 -0.121 0.000 1.136 46 T CB -0.301 68.520 68.868 -0.078 0.000 0.874 46 T HN 0.399 nan 8.240 nan 0.000 0.466 47 D N 0.195 120.494 120.400 -0.170 0.000 2.123 47 D HA -0.096 4.544 4.640 0.000 0.000 0.196 47 D C 1.715 177.951 176.300 -0.107 0.000 0.992 47 D CA 1.048 54.935 54.000 -0.189 0.000 0.833 47 D CB -0.319 40.253 40.800 -0.379 0.000 0.954 47 D HN 0.399 nan 8.370 nan 0.000 0.455 48 Y N 1.461 121.582 120.300 -0.299 0.000 2.133 48 Y HA -0.089 4.461 4.550 0.000 0.000 0.287 48 Y C 2.219 178.125 175.900 0.011 0.000 1.134 48 Y CA 1.187 59.272 58.100 -0.024 0.000 1.133 48 Y CB -0.655 37.827 38.460 0.037 0.000 0.987 48 Y HN -0.107 nan 8.280 nan 0.000 0.502 49 L N -0.158 120.913 121.223 -0.252 0.000 2.056 49 L HA -0.169 4.171 4.340 0.000 0.000 0.207 49 L C 2.255 179.030 176.870 -0.158 0.000 1.078 49 L CA 1.359 56.014 54.840 -0.310 0.000 0.749 49 L CB -0.495 41.439 42.059 -0.208 0.000 0.901 49 L HN 0.022 nan 8.230 nan 0.000 0.433 50 K N -0.013 120.324 120.400 -0.105 0.000 2.418 50 K HA -0.018 4.302 4.320 0.000 0.000 0.195 50 K C 0.434 177.003 176.600 -0.053 0.000 1.035 50 K CA 0.197 56.443 56.287 -0.069 0.000 1.003 50 K CB -0.481 31.981 32.500 -0.063 0.000 0.793 50 K HN 0.328 nan 8.250 nan 0.000 0.494 51 N N 0.852 119.532 118.700 -0.033 0.000 2.816 51 N HA -0.201 4.539 4.740 0.000 0.000 0.247 51 N C 0.433 175.952 175.510 0.016 0.000 1.100 51 N CA 0.514 53.580 53.050 0.027 0.000 0.687 51 N CB -0.775 37.714 38.487 0.005 0.000 1.003 51 N HN 0.325 nan 8.380 nan 0.000 0.554 52 T N -2.691 111.836 114.554 -0.044 0.000 2.821 52 T HA -0.128 4.222 4.350 0.000 0.000 0.267 52 T C 0.685 175.227 174.700 -0.263 0.000 1.046 52 T CA 1.120 63.093 62.100 -0.213 0.000 1.139 52 T CB -0.238 68.406 68.868 -0.374 0.000 0.871 52 T HN 0.348 nan 8.240 nan 0.000 0.454 53 Y N 1.859 122.262 120.300 0.172 0.000 2.454 53 Y HA 0.577 5.127 4.550 0.000 0.000 0.345 53 Y C 0.607 176.615 175.900 0.180 0.000 0.970 53 Y CA -1.236 56.981 58.100 0.196 0.000 1.204 53 Y CB 0.610 39.242 38.460 0.287 0.000 1.122 53 Y HN -0.007 nan 8.280 nan 0.000 0.514 54 R N 3.424 124.067 120.500 0.239 0.000 2.346 54 R HA 0.519 4.859 4.340 0.000 0.000 0.311 54 R C -1.048 175.355 176.300 0.172 0.000 0.983 54 R CA -0.684 55.521 56.100 0.175 0.000 0.880 54 R CB 0.842 31.205 30.300 0.104 0.000 1.100 54 R HN 0.689 nan 8.270 nan 0.000 0.453 55 L N 4.732 126.059 121.223 0.173 0.000 2.319 55 L HA 0.246 4.586 4.340 0.000 0.000 0.280 55 L C 0.393 177.339 176.870 0.126 0.000 1.099 55 L CA -0.011 54.926 54.840 0.162 0.000 0.828 55 L CB 0.805 42.979 42.059 0.192 0.000 1.150 55 L HN 0.432 nan 8.230 nan 0.000 0.442 56 K N 4.436 124.903 120.400 0.111 0.000 2.185 56 K HA 0.551 4.871 4.320 0.000 0.000 0.271 56 K C -0.490 176.137 176.600 0.045 0.000 1.013 56 K CA -0.452 55.876 56.287 0.068 0.000 0.943 56 K CB 1.331 33.864 32.500 0.056 0.000 0.998 56 K HN 0.429 nan 8.250 nan 0.000 0.468 57 L N 0.872 122.059 121.223 -0.060 0.000 2.267 57 L HA 0.460 4.800 4.340 0.000 0.000 0.264 57 L C -0.649 175.928 176.870 -0.488 0.000 1.021 57 L CA -1.057 53.626 54.840 -0.261 0.000 0.861 57 L CB 0.624 42.659 42.059 -0.039 0.000 1.443 57 L HN 0.547 nan 8.230 nan 0.000 0.475 58 Y N 0.132 119.905 120.300 -0.878 0.000 2.497 58 Y HA 0.287 4.837 4.550 0.000 0.000 0.333 58 Y C -0.524 175.260 175.900 -0.192 0.000 1.046 58 Y CA -0.562 57.247 58.100 -0.485 0.000 1.160 58 Y CB 0.982 39.001 38.460 -0.736 0.000 1.123 58 Y HN 0.440 nan 8.280 nan 0.000 0.638 59 S N 4.648 120.275 115.700 -0.122 0.000 2.429 59 S HA 0.381 4.851 4.470 0.000 0.000 0.292 59 S C -0.483 174.046 174.600 -0.118 0.000 1.183 59 S CA -0.309 57.850 58.200 -0.068 0.000 1.088 59 S CB -0.444 62.726 63.200 -0.050 0.000 1.018 59 S HN 0.536 nan 8.310 nan 0.000 0.511 60 L N 1.201 122.316 121.223 -0.179 0.000 2.342 60 L HA 0.766 5.106 4.340 0.000 0.000 0.271 60 L C -0.213 176.524 176.870 -0.221 0.000 1.008 60 L CA -0.868 53.790 54.840 -0.304 0.000 0.818 60 L CB 1.070 42.617 42.059 -0.855 0.000 1.296 60 L HN 0.238 nan 8.230 nan 0.000 0.427 61 R N 2.158 122.595 120.500 -0.104 0.000 2.337 61 R HA 0.323 4.663 4.340 0.000 0.000 0.319 61 R C -1.521 174.815 176.300 0.060 0.000 0.954 61 R CA -0.519 55.593 56.100 0.020 0.000 0.840 61 R CB 0.750 31.111 30.300 0.103 0.000 1.164 61 R HN 0.855 nan 8.270 nan 0.000 0.472 62 W N 4.539 125.923 121.300 0.141 0.000 2.193 62 W HA 0.030 4.690 4.660 0.000 0.000 0.338 62 W C 1.778 178.377 176.519 0.134 0.000 1.310 62 W CA -0.190 57.257 57.345 0.171 0.000 1.243 62 W CB 0.470 30.021 29.460 0.152 0.000 1.165 62 W HN 0.617 nan 8.180 nan 0.000 0.566 63 I N -0.882 119.924 120.570 0.392 0.000 4.433 63 I HA 0.253 4.423 4.170 0.000 0.000 0.322 63 I C 0.839 177.083 176.117 0.212 0.000 1.284 63 I CA 0.040 61.476 61.300 0.226 0.000 1.269 63 I CB 0.123 38.187 38.000 0.107 0.000 1.219 63 I HN 0.256 nan 8.210 nan 0.000 0.436 64 S N -0.231 115.626 115.700 0.262 0.000 3.132 64 S HA 0.375 4.845 4.470 0.000 0.000 0.322 64 S C 0.158 174.819 174.600 0.101 0.000 1.124 64 S CA -0.061 58.249 58.200 0.183 0.000 0.906 64 S CB 1.177 64.513 63.200 0.226 0.000 1.349 64 S HN 0.091 nan 8.310 nan 0.000 0.686 65 D N -0.784 119.549 120.400 -0.111 0.000 2.349 65 D HA 0.217 4.857 4.640 0.000 0.000 0.215 65 D C 0.815 176.886 176.300 -0.382 0.000 1.016 65 D CA 0.843 54.620 54.000 -0.372 0.000 0.870 65 D CB -0.073 40.378 40.800 -0.582 0.000 0.917 65 D HN 0.649 nan 8.370 nan 0.000 0.524 66 H N -1.928 117.300 119.070 0.264 0.000 3.457 66 H HA 0.437 4.993 4.556 0.000 0.000 0.255 66 H C 0.024 175.452 175.328 0.167 0.000 1.082 66 H CA -0.264 55.911 56.048 0.213 0.000 1.189 66 H CB 0.962 30.823 29.762 0.165 0.000 1.511 66 H HN -0.063 nan 8.280 nan 0.000 0.527 67 E N 0.359 120.765 120.200 0.344 0.000 2.359 67 E HA 0.422 4.772 4.350 0.000 0.000 0.266 67 E C -1.510 175.288 176.600 0.330 0.000 0.920 67 E CA -1.222 55.310 56.400 0.220 0.000 0.788 67 E CB 2.700 32.484 29.700 0.140 0.000 1.279 67 E HN 0.191 nan 8.360 nan 0.000 0.438 68 Y N -0.960 119.381 120.300 0.068 0.000 2.625 68 Y HA 0.634 5.184 4.550 0.000 0.000 0.338 68 Y C -1.926 173.947 175.900 -0.046 0.000 1.123 68 Y CA -1.302 56.739 58.100 -0.098 0.000 1.046 68 Y CB 0.671 38.754 38.460 -0.629 0.000 1.299 68 Y HN 0.341 nan 8.280 nan 0.000 0.464 69 L N 2.325 123.698 121.223 0.250 0.000 2.334 69 L HA 0.643 4.983 4.340 0.000 0.000 0.272 69 L C -1.430 175.617 176.870 0.295 0.000 1.020 69 L CA -1.151 53.795 54.840 0.178 0.000 0.812 69 L CB 2.010 44.076 42.059 0.011 0.000 1.264 69 L HN 0.806 nan 8.230 nan 0.000 0.439 70 Y N 1.713 122.059 120.300 0.076 0.000 2.436 70 Y HA 0.263 4.813 4.550 0.000 0.000 0.327 70 Y C -1.160 174.733 175.900 -0.012 0.000 1.138 70 Y CA -1.086 56.978 58.100 -0.060 0.000 1.042 70 Y CB 1.461 39.793 38.460 -0.214 0.000 1.302 70 Y HN 0.440 nan 8.280 nan 0.000 0.439 71 K N 6.496 126.508 120.400 -0.647 0.000 2.253 71 K HA 0.341 4.661 4.320 0.000 0.000 0.277 71 K C -1.246 174.963 176.600 -0.651 0.000 1.053 71 K CA -0.427 55.594 56.287 -0.443 0.000 0.892 71 K CB 0.937 33.307 32.500 -0.216 0.000 1.102 71 K HN 0.909 nan 8.250 nan 0.000 0.469 72 Q N 3.475 123.091 119.800 -0.307 0.000 2.347 72 Q HA 0.230 4.570 4.340 0.000 0.000 0.271 72 Q C -0.698 175.269 176.000 -0.054 0.000 1.064 72 Q CA -0.451 55.261 55.803 -0.152 0.000 0.800 72 Q CB 1.559 30.344 28.738 0.079 0.000 1.304 72 Q HN 0.744 nan 8.270 nan 0.000 0.438 73 E N 1.747 121.923 120.200 -0.039 0.000 3.562 73 E HA -0.353 3.997 4.350 0.000 0.000 0.298 73 E C -0.497 176.085 176.600 -0.030 0.000 0.830 73 E CA 0.894 57.282 56.400 -0.021 0.000 1.013 73 E CB -0.958 28.742 29.700 -0.001 0.000 1.510 73 E HN 0.988 nan 8.360 nan 0.000 0.463 74 N N -1.279 117.391 118.700 -0.050 0.000 2.999 74 N HA -0.123 4.617 4.740 0.000 0.000 0.242 74 N C -1.144 174.341 175.510 -0.041 0.000 1.016 74 N CA 1.059 54.085 53.050 -0.040 0.000 0.894 74 N CB -1.482 36.994 38.487 -0.018 0.000 1.113 74 N HN 0.295 nan 8.380 nan 0.000 0.555 75 N N 1.295 119.969 118.700 -0.043 0.000 2.469 75 N HA 0.448 5.188 4.740 0.000 0.000 0.253 75 N C 0.216 175.706 175.510 -0.033 0.000 0.970 75 N CA -0.616 52.414 53.050 -0.034 0.000 0.940 75 N CB 1.320 39.798 38.487 -0.015 0.000 1.128 75 N HN 0.351 nan 8.380 nan 0.000 0.503 76 I N 1.143 121.678 120.570 -0.058 0.000 2.598 76 I HA 0.247 4.417 4.170 0.000 0.000 0.284 76 I C -1.122 175.037 176.117 0.070 0.000 1.140 76 I CA 0.027 61.295 61.300 -0.053 0.000 1.420 76 I CB 0.182 38.057 38.000 -0.209 0.000 1.387 76 I HN 0.286 nan 8.210 nan 0.000 0.553 77 L N 7.246 128.551 121.223 0.135 0.000 2.342 77 L HA 0.621 4.961 4.340 0.000 0.000 0.271 77 L C -0.296 176.688 176.870 0.189 0.000 1.008 77 L CA -1.203 53.738 54.840 0.168 0.000 0.818 77 L CB 1.742 43.924 42.059 0.205 0.000 1.296 77 L HN 0.560 nan 8.230 nan 0.000 0.427 78 V N 2.584 122.550 119.914 0.086 0.000 2.407 78 V HA 0.479 4.599 4.120 0.000 0.000 0.278 78 V C -0.768 175.259 176.094 -0.111 0.000 1.037 78 V CA -0.079 62.236 62.300 0.024 0.000 0.900 78 V CB 1.055 32.909 31.823 0.052 0.000 0.983 78 V HN 0.485 nan 8.190 nan 0.000 0.459 79 F N 5.039 124.730 119.950 -0.432 0.000 2.458 79 F HA 0.484 5.011 4.527 0.000 0.000 0.330 79 F C 0.604 176.122 175.800 -0.469 0.000 1.082 79 F CA -0.581 57.090 58.000 -0.548 0.000 0.995 79 F CB 1.598 39.984 39.000 -1.023 0.000 1.170 79 F HN 0.474 nan 8.300 nan 0.000 0.478 80 N N 2.034 120.655 118.700 -0.132 0.000 2.462 80 N HA 0.210 4.951 4.740 0.000 0.000 0.242 80 N C 0.612 176.044 175.510 -0.130 0.000 1.010 80 N CA 0.113 53.115 53.050 -0.080 0.000 0.939 80 N CB 1.528 40.021 38.487 0.010 0.000 1.127 80 N HN 0.818 nan 8.380 nan 0.000 0.509 81 A N 3.671 126.375 122.820 -0.193 0.000 1.940 81 A HA -0.258 4.062 4.320 0.000 0.000 0.221 81 A C 1.934 179.255 177.584 -0.438 0.000 1.190 81 A CA 1.951 53.782 52.037 -0.343 0.000 0.647 81 A CB -0.442 18.111 19.000 -0.745 0.000 0.821 81 A HN 0.745 nan 8.150 nan 0.000 0.457 82 E N -0.988 118.932 120.200 -0.467 0.000 2.006 82 E HA -0.140 4.210 4.350 0.000 0.000 0.192 82 E C 1.664 177.981 176.600 -0.473 0.000 0.993 82 E CA 1.943 58.039 56.400 -0.506 0.000 0.808 82 E CB -0.442 28.785 29.700 -0.788 0.000 0.764 82 E HN 0.739 nan 8.360 nan 0.000 0.449 83 Y N -1.933 118.371 120.300 0.006 0.000 2.509 83 Y HA 0.314 4.864 4.550 0.000 0.000 0.270 83 Y C 1.677 177.575 175.900 -0.004 0.000 1.103 83 Y CA 0.175 58.277 58.100 0.004 0.000 1.278 83 Y CB 0.794 39.253 38.460 -0.002 0.000 1.087 83 Y HN 0.298 nan 8.280 nan 0.000 0.542 84 G N 0.549 109.401 108.800 0.086 0.000 2.213 84 G HA2 -0.313 3.647 3.960 0.000 0.000 0.236 84 G HA3 -0.313 3.647 3.960 0.000 0.000 0.236 84 G C 0.095 175.026 174.900 0.052 0.000 0.991 84 G CA 0.065 45.223 45.100 0.096 0.000 0.629 84 G HN 0.426 nan 8.290 nan 0.000 0.517 85 N N 0.925 119.627 118.700 0.004 0.000 2.340 85 N HA 0.458 5.198 4.740 0.000 0.000 0.236 85 N C -0.054 175.282 175.510 -0.290 0.000 1.296 85 N CA 0.919 53.907 53.050 -0.103 0.000 0.896 85 N CB 1.122 39.578 38.487 -0.051 0.000 1.127 85 N HN 1.168 nan 8.380 nan 0.000 0.442 86 S N -1.415 114.051 115.700 -0.390 0.000 2.572 86 S HA 0.438 4.908 4.470 0.000 0.000 0.274 86 S C -0.962 173.447 174.600 -0.319 0.000 1.150 86 S CA -0.976 56.882 58.200 -0.571 0.000 0.944 86 S CB 0.921 63.305 63.200 -1.359 0.000 1.071 86 S HN 0.533 nan 8.310 nan 0.000 0.479 87 S N 1.583 117.158 115.700 -0.207 0.000 2.632 87 S HA 0.552 5.022 4.470 0.000 0.000 0.271 87 S C 0.057 174.610 174.600 -0.079 0.000 1.260 87 S CA -0.715 57.417 58.200 -0.112 0.000 1.010 87 S CB 1.121 64.287 63.200 -0.056 0.000 0.965 87 S HN 0.728 nan 8.310 nan 0.000 0.534 88 V N 3.066 122.948 119.914 -0.053 0.000 2.508 88 V HA 0.124 4.244 4.120 0.000 0.000 0.281 88 V C 0.435 176.543 176.094 0.024 0.000 1.041 88 V CA 0.200 62.491 62.300 -0.014 0.000 1.016 88 V CB 0.279 32.078 31.823 -0.040 0.000 0.984 88 V HN 0.944 nan 8.190 nan 0.000 0.478 89 F N 5.249 125.157 119.950 -0.071 0.000 2.446 89 F HA 0.475 5.002 4.527 0.000 0.000 0.292 89 F C 0.361 176.114 175.800 -0.078 0.000 1.096 89 F CA 0.492 58.453 58.000 -0.064 0.000 1.438 89 F CB 0.562 39.532 39.000 -0.049 0.000 1.107 89 F HN 0.375 nan 8.300 nan 0.000 0.546 90 L N 0.250 121.501 121.223 0.046 0.000 2.700 90 L HA 0.281 4.621 4.340 0.000 0.000 0.255 90 L C -1.752 175.078 176.870 -0.067 0.000 0.933 90 L CA -0.535 54.272 54.840 -0.056 0.000 0.920 90 L CB 1.676 43.748 42.059 0.021 0.000 1.472 90 L HN -0.047 nan 8.230 nan 0.000 0.426 91 E N 1.715 121.840 120.200 -0.126 0.000 2.207 91 E HA 0.301 4.651 4.350 0.000 0.000 0.270 91 E C -0.087 176.452 176.600 -0.102 0.000 0.927 91 E CA -0.712 55.627 56.400 -0.102 0.000 0.799 91 E CB 1.009 30.643 29.700 -0.109 0.000 1.172 91 E HN 0.667 nan 8.360 nan 0.000 0.404 92 N N 0.954 119.619 118.700 -0.058 0.000 2.417 92 N HA -0.207 4.533 4.740 0.000 0.000 0.187 92 N C 1.067 176.550 175.510 -0.044 0.000 1.027 92 N CA 1.157 54.189 53.050 -0.030 0.000 0.891 92 N CB -0.297 38.179 38.487 -0.018 0.000 0.956 92 N HN 0.192 nan 8.380 nan 0.000 0.442 93 S N 0.034 115.683 115.700 -0.085 0.000 2.345 93 S HA -0.093 4.377 4.470 0.000 0.000 0.220 93 S C 1.766 176.259 174.600 -0.180 0.000 1.031 93 S CA 1.549 59.688 58.200 -0.102 0.000 0.996 93 S CB -0.743 62.396 63.200 -0.102 0.000 0.882 93 S HN 0.513 nan 8.310 nan 0.000 0.445 94 T N 1.499 115.857 114.554 -0.326 0.000 2.684 94 T HA -0.186 4.164 4.350 0.000 0.000 0.267 94 T C 0.587 174.823 174.700 -0.774 0.000 1.032 94 T CA 1.503 63.216 62.100 -0.645 0.000 1.155 94 T CB -0.441 67.830 68.868 -0.996 0.000 0.857 94 T HN 0.379 nan 8.240 nan 0.000 0.457 95 F N 0.886 120.751 119.950 -0.142 0.000 2.928 95 F HA 0.369 4.896 4.527 0.000 0.000 0.337 95 F C 0.976 176.771 175.800 -0.008 0.000 1.259 95 F CA -1.366 56.578 58.000 -0.094 0.000 1.267 95 F CB 0.052 38.937 39.000 -0.191 0.000 0.986 95 F HN -0.076 nan 8.300 nan 0.000 0.507 96 D N 0.740 121.187 120.400 0.079 0.000 2.117 96 D HA -0.137 4.503 4.640 0.000 0.000 0.197 96 D C 0.718 177.069 176.300 0.085 0.000 0.987 96 D CA 1.440 55.478 54.000 0.063 0.000 0.829 96 D CB 0.095 40.902 40.800 0.012 0.000 0.961 96 D HN 0.394 nan 8.370 nan 0.000 0.460 97 E N -0.640 119.617 120.200 0.095 0.000 2.947 97 E HA 0.144 4.494 4.350 0.000 0.000 0.229 97 E C 0.316 177.010 176.600 0.157 0.000 1.158 97 E CA -0.366 56.081 56.400 0.079 0.000 1.441 97 E CB -0.100 29.623 29.700 0.038 0.000 1.414 97 E HN 0.173 nan 8.360 nan 0.000 0.432 98 F N 0.462 120.439 119.950 0.044 0.000 2.259 98 F HA 0.040 4.567 4.527 0.000 0.000 0.298 98 F C 1.774 177.535 175.800 -0.065 0.000 1.088 98 F CA 1.372 59.391 58.000 0.032 0.000 1.358 98 F CB 0.435 39.440 39.000 0.009 0.000 1.040 98 F HN 0.417 nan 8.300 nan 0.000 0.505 99 G N -0.691 107.983 108.800 -0.211 0.000 2.241 99 G HA2 -0.247 3.713 3.960 0.000 0.000 0.244 99 G HA3 -0.247 3.713 3.960 0.000 0.000 0.244 99 G C 0.124 174.656 174.900 -0.613 0.000 0.998 99 G CA 0.243 45.086 45.100 -0.428 0.000 0.621 99 G HN 0.491 nan 8.290 nan 0.000 0.519 100 H N 0.153 118.975 119.070 -0.414 0.000 2.622 100 H HA 0.624 5.180 4.556 0.000 0.000 0.363 100 H C -0.267 175.070 175.328 0.015 0.000 1.151 100 H CA 0.056 55.944 56.048 -0.266 0.000 1.184 100 H CB 1.738 31.122 29.762 -0.629 0.000 1.643 100 H HN 0.167 nan 8.280 nan 0.000 0.531 101 S N 2.258 118.057 115.700 0.165 0.000 2.510 101 S HA 0.197 4.667 4.470 0.000 0.000 0.279 101 S C 0.241 174.934 174.600 0.155 0.000 1.284 101 S CA -0.629 57.651 58.200 0.133 0.000 1.059 101 S CB -0.524 62.734 63.200 0.097 0.000 0.901 101 S HN 0.363 nan 8.310 nan 0.000 0.491 102 I N 6.282 126.911 120.570 0.098 0.000 2.297 102 I HA 0.181 4.351 4.170 0.000 0.000 0.291 102 I C 1.647 177.772 176.117 0.014 0.000 1.033 102 I CA -0.395 60.932 61.300 0.045 0.000 1.253 102 I CB 0.856 38.805 38.000 -0.085 0.000 1.396 102 I HN 0.756 nan 8.210 nan 0.000 0.476 103 N N 4.070 122.774 118.700 0.006 0.000 2.171 103 N HA -0.091 4.649 4.740 0.000 0.000 0.184 103 N C 0.109 175.558 175.510 -0.101 0.000 1.021 103 N CA 1.288 54.292 53.050 -0.077 0.000 0.854 103 N CB 0.486 38.904 38.487 -0.115 0.000 0.994 103 N HN 0.650 nan 8.380 nan 0.000 0.426 104 D N -2.024 118.336 120.400 -0.067 0.000 2.653 104 D HA 0.196 4.836 4.640 0.000 0.000 0.258 104 D C -1.430 174.868 176.300 -0.003 0.000 1.252 104 D CA -0.508 53.437 54.000 -0.091 0.000 0.777 104 D CB 0.912 41.630 40.800 -0.136 0.000 1.339 104 D HN 0.139 nan 8.370 nan 0.000 0.422 105 Y N -0.861 119.453 120.300 0.023 0.000 2.659 105 Y HA 0.825 5.375 4.550 0.000 0.000 0.333 105 Y C -0.677 175.304 175.900 0.134 0.000 1.064 105 Y CA -1.037 57.098 58.100 0.060 0.000 1.141 105 Y CB 1.832 40.316 38.460 0.040 0.000 1.316 105 Y HN 0.175 nan 8.280 nan 0.000 0.509 106 S N 1.465 117.427 115.700 0.436 0.000 2.550 106 S HA 0.456 4.926 4.470 0.000 0.000 0.274 106 S C -1.630 173.291 174.600 0.535 0.000 1.110 106 S CA -0.605 57.846 58.200 0.418 0.000 1.013 106 S CB 0.029 63.437 63.200 0.347 0.000 1.152 106 S HN 0.696 nan 8.310 nan 0.000 0.450 107 I N 4.473 125.247 120.570 0.339 0.000 2.365 107 I HA 0.289 4.459 4.170 0.000 0.000 0.291 107 I C 1.017 176.942 176.117 -0.321 0.000 1.004 107 I CA -0.601 60.769 61.300 0.116 0.000 1.311 107 I CB 1.701 39.750 38.000 0.082 0.000 1.401 107 I HN 0.786 nan 8.210 nan 0.000 0.491 108 S N 6.057 121.228 115.700 -0.881 0.000 2.558 108 S HA 0.040 4.510 4.470 0.000 0.000 0.291 108 S C -1.794 172.484 174.600 -0.536 0.000 1.306 108 S CA -0.830 56.491 58.200 -1.465 0.000 1.056 108 S CB 0.408 62.806 63.200 -1.337 0.000 0.836 108 S HN 0.448 nan 8.310 nan 0.000 0.504 109 P HA -0.132 nan 4.420 nan 0.000 0.217 109 P C 0.705 177.962 177.300 -0.072 0.000 1.148 109 P CA 1.597 64.615 63.100 -0.137 0.000 0.828 109 P CB -0.143 31.501 31.700 -0.094 0.000 0.783 110 D N -1.859 118.500 120.400 -0.068 0.000 2.370 110 D HA 0.114 4.754 4.640 0.000 0.000 0.230 110 D C 1.411 177.728 176.300 0.029 0.000 1.143 110 D CA 0.147 54.156 54.000 0.015 0.000 0.834 110 D CB -1.171 39.674 40.800 0.075 0.000 0.944 110 D HN 0.186 nan 8.370 nan 0.000 0.504 111 G N 0.546 109.350 108.800 0.006 0.000 2.238 111 G HA2 -0.467 3.493 3.960 0.000 0.000 0.270 111 G HA3 -0.467 3.493 3.960 0.000 0.000 0.270 111 G C 1.111 176.041 174.900 0.050 0.000 0.977 111 G CA 0.804 45.957 45.100 0.090 0.000 0.639 111 G HN 0.486 nan 8.290 nan 0.000 0.544 112 Q N -1.358 118.407 119.800 -0.058 0.000 2.187 112 Q HA 0.288 4.628 4.340 0.000 0.000 0.199 112 Q C 0.464 176.131 176.000 -0.557 0.000 0.957 112 Q CA 0.758 56.368 55.803 -0.322 0.000 0.857 112 Q CB 0.171 28.649 28.738 -0.434 0.000 0.929 112 Q HN 0.598 nan 8.270 nan 0.000 0.453 113 F N -0.856 119.049 119.950 -0.074 0.000 2.620 113 F HA 0.512 5.039 4.527 0.000 0.000 0.320 113 F C -0.352 175.514 175.800 0.111 0.000 1.069 113 F CA -1.180 56.836 58.000 0.027 0.000 0.953 113 F CB 1.769 40.810 39.000 0.067 0.000 1.322 113 F HN -0.200 nan 8.300 nan 0.000 0.479 114 I N 3.022 123.902 120.570 0.516 0.000 2.571 114 I HA 0.410 4.580 4.170 0.000 0.000 0.289 114 I C -1.996 174.435 176.117 0.522 0.000 1.115 114 I CA -0.789 60.797 61.300 0.477 0.000 1.045 114 I CB 1.772 40.018 38.000 0.410 0.000 1.238 114 I HN 0.540 nan 8.210 nan 0.000 0.424 115 L N 8.337 129.903 121.223 0.572 0.000 2.292 115 L HA 0.538 4.878 4.340 0.000 0.000 0.284 115 L C -1.388 175.650 176.870 0.280 0.000 1.065 115 L CA -0.097 54.998 54.840 0.426 0.000 0.806 115 L CB 1.130 43.416 42.059 0.379 0.000 1.175 115 L HN 0.511 nan 8.230 nan 0.000 0.431 116 L N 5.074 126.406 121.223 0.183 0.000 2.325 116 L HA 0.524 4.864 4.340 0.000 0.000 0.281 116 L C -0.386 176.531 176.870 0.078 0.000 1.004 116 L CA -0.421 54.434 54.840 0.026 0.000 0.823 116 L CB 1.690 43.568 42.059 -0.301 0.000 1.236 116 L HN 0.618 nan 8.230 nan 0.000 0.415 117 E N 4.082 124.275 120.200 -0.012 0.000 2.133 117 E HA 0.452 4.802 4.350 0.000 0.000 0.274 117 E C -1.718 174.821 176.600 -0.102 0.000 0.930 117 E CA -0.538 55.689 56.400 -0.288 0.000 0.770 117 E CB 1.127 30.736 29.700 -0.152 0.000 1.104 117 E HN 0.458 nan 8.360 nan 0.000 0.403 118 Y N 1.865 121.964 120.300 -0.334 0.000 2.655 118 Y HA 0.456 5.006 4.550 0.000 0.000 0.336 118 Y C -0.241 175.561 175.900 -0.163 0.000 1.154 118 Y CA -1.510 56.494 58.100 -0.160 0.000 1.055 118 Y CB 0.702 39.137 38.460 -0.043 0.000 1.295 118 Y HN 0.507 nan 8.280 nan 0.000 0.465 119 N N -0.548 118.168 118.700 0.027 0.000 2.776 119 N HA -0.293 4.447 4.740 0.000 0.000 0.249 119 N C -0.928 174.555 175.510 -0.044 0.000 1.111 119 N CA 0.924 53.952 53.050 -0.037 0.000 0.711 119 N CB -1.928 36.456 38.487 -0.172 0.000 1.065 119 N HN 0.908 nan 8.380 nan 0.000 0.556 120 Y N 0.557 120.772 120.300 -0.142 0.000 2.802 120 Y HA 0.179 4.729 4.550 0.000 0.000 0.333 120 Y C 0.006 175.853 175.900 -0.089 0.000 1.244 120 Y CA 0.246 58.244 58.100 -0.170 0.000 1.558 120 Y CB 0.531 38.845 38.460 -0.243 0.000 1.233 120 Y HN 0.005 nan 8.280 nan 0.000 0.547 121 V N 8.494 128.113 119.914 -0.493 0.000 2.380 121 V HA 0.178 4.298 4.120 0.000 0.000 0.286 121 V C -0.200 175.553 176.094 -0.568 0.000 1.015 121 V CA -1.337 60.726 62.300 -0.395 0.000 0.834 121 V CB 1.250 32.963 31.823 -0.183 0.000 1.009 121 V HN 0.742 nan 8.190 nan 0.000 0.428 122 K N 4.100 124.158 120.400 -0.570 0.000 2.436 122 K HA 0.190 4.510 4.320 0.000 0.000 0.275 122 K C 0.378 176.825 176.600 -0.256 0.000 0.999 122 K CA 0.263 56.344 56.287 -0.344 0.000 0.980 122 K CB 1.082 33.580 32.500 -0.002 0.000 0.919 122 K HN 0.793 nan 8.250 nan 0.000 0.484 123 Q N 2.935 122.553 119.800 -0.302 0.000 2.968 123 Q HA 0.182 4.522 4.340 0.000 0.000 0.245 123 Q C -0.050 175.722 176.000 -0.380 0.000 1.136 123 Q CA -0.401 55.036 55.803 -0.610 0.000 0.410 123 Q CB 0.067 28.245 28.738 -0.933 0.000 5.262 123 Q HN 0.717 nan 8.270 nan 0.000 0.356 124 W N 0.307 121.608 121.300 0.002 0.000 1.746 124 W HA 0.268 4.929 4.660 0.000 0.000 0.569 124 W C 1.775 178.290 176.519 -0.007 0.000 2.047 124 W CA -0.526 56.857 57.345 0.063 0.000 2.328 124 W CB -0.141 29.356 29.460 0.062 0.000 2.372 124 W HN 0.417 nan 8.180 nan 0.000 0.797 125 R N -0.532 120.087 120.500 0.199 0.000 2.091 125 R HA -0.181 4.159 4.340 0.000 0.000 0.238 125 R C 1.679 177.824 176.300 -0.258 0.000 1.136 125 R CA 2.200 58.226 56.100 -0.122 0.000 0.959 125 R CB -0.515 29.560 30.300 -0.375 0.000 0.856 125 R HN 0.516 nan 8.270 nan 0.000 0.437 126 H N -1.128 118.008 119.070 0.110 0.000 2.927 126 H HA 0.208 4.764 4.556 0.000 0.000 0.255 126 H C 0.460 175.811 175.328 0.039 0.000 0.974 126 H CA 0.440 56.557 56.048 0.115 0.000 1.199 126 H CB 0.185 29.990 29.762 0.072 0.000 1.447 126 H HN 0.224 nan 8.280 nan 0.000 0.467 127 S N 1.443 117.073 115.700 -0.117 0.000 2.585 127 S HA 0.344 4.814 4.470 0.000 0.000 0.273 127 S C -0.280 174.105 174.600 -0.359 0.000 1.339 127 S CA -0.443 57.346 58.200 -0.684 0.000 1.028 127 S CB 0.627 62.876 63.200 -1.586 0.000 0.906 127 S HN 0.441 nan 8.310 nan 0.000 0.528 128 Y N -2.211 117.937 120.300 -0.254 0.000 2.779 128 Y HA 0.713 5.263 4.550 0.000 0.000 0.340 128 Y C -0.714 175.140 175.900 -0.077 0.000 1.252 128 Y CA -0.920 57.016 58.100 -0.274 0.000 1.072 128 Y CB 0.549 38.755 38.460 -0.423 0.000 1.343 128 Y HN 0.870 nan 8.280 nan 0.000 0.450 129 T N -0.313 114.318 114.554 0.129 0.000 2.908 129 T HA 1.002 5.352 4.350 0.000 0.000 0.290 129 T C -0.567 174.226 174.700 0.155 0.000 1.034 129 T CA -0.067 62.139 62.100 0.177 0.000 1.010 129 T CB 1.760 70.670 68.868 0.070 0.000 1.068 129 T HN 1.732 nan 8.240 nan 0.000 0.481 130 A N 1.228 124.134 122.820 0.143 0.000 2.583 130 A HA 0.860 5.180 4.320 0.000 0.000 0.289 130 A C -0.552 176.854 177.584 -0.297 0.000 1.151 130 A CA -0.986 50.967 52.037 -0.140 0.000 0.695 130 A CB 1.295 20.135 19.000 -0.267 0.000 1.290 130 A HN 0.908 nan 8.150 nan 0.000 0.419 131 S N -0.919 114.352 115.700 -0.715 0.000 2.621 131 S HA 0.815 5.285 4.470 0.000 0.000 0.302 131 S C -1.521 172.428 174.600 -1.085 0.000 1.093 131 S CA -0.166 57.559 58.200 -0.792 0.000 1.017 131 S CB 0.892 63.480 63.200 -1.020 0.000 1.077 131 S HN 0.470 nan 8.310 nan 0.000 0.517 132 Y N -0.000 120.064 120.300 -0.394 0.000 2.553 132 Y HA 0.542 5.092 4.550 0.000 0.000 0.347 132 Y C -0.436 175.505 175.900 0.070 0.000 1.019 132 Y CA -0.827 57.193 58.100 -0.133 0.000 1.032 132 Y CB 1.918 40.256 38.460 -0.203 0.000 1.284 132 Y HN 0.510 nan 8.280 nan 0.000 0.466 133 D N 2.019 122.609 120.400 0.317 0.000 2.857 133 D HA 0.487 5.127 4.640 0.000 0.000 0.227 133 D C -1.147 175.274 176.300 0.203 0.000 1.192 133 D CA -0.351 53.805 54.000 0.259 0.000 0.857 133 D CB 2.628 43.645 40.800 0.362 0.000 1.645 133 D HN 0.390 nan 8.370 nan 0.000 0.482 134 I N 1.856 122.546 120.570 0.200 0.000 2.336 134 I HA 0.270 4.440 4.170 0.000 0.000 0.292 134 I C -0.733 175.603 176.117 0.364 0.000 0.991 134 I CA -0.918 60.546 61.300 0.273 0.000 1.227 134 I CB 1.168 39.281 38.000 0.188 0.000 1.366 134 I HN 0.220 nan 8.210 nan 0.000 0.466 135 Y N 5.580 126.056 120.300 0.293 0.000 2.328 135 Y HA 0.304 4.854 4.550 0.000 0.000 0.337 135 Y C -0.130 175.947 175.900 0.294 0.000 0.966 135 Y CA -0.723 57.544 58.100 0.279 0.000 1.136 135 Y CB 0.987 39.630 38.460 0.306 0.000 1.170 135 Y HN 0.521 nan 8.280 nan 0.000 0.470 136 D N 5.581 125.875 120.400 -0.177 0.000 2.348 136 D HA 0.063 4.703 4.640 0.000 0.000 0.253 136 D C 0.451 176.437 176.300 -0.523 0.000 1.161 136 D CA 0.433 54.242 54.000 -0.317 0.000 0.876 136 D CB 1.239 41.897 40.800 -0.237 0.000 1.160 136 D HN 0.873 nan 8.370 nan 0.000 0.459 137 L N 3.896 124.885 121.223 -0.391 0.000 2.209 137 L HA -0.048 4.292 4.340 0.000 0.000 0.207 137 L C 2.134 178.845 176.870 -0.265 0.000 1.094 137 L CA 0.185 54.885 54.840 -0.233 0.000 0.790 137 L CB -0.140 41.834 42.059 -0.141 0.000 0.932 137 L HN 0.392 nan 8.230 nan 0.000 0.447 138 N N 0.790 119.298 118.700 -0.320 0.000 2.039 138 N HA -0.174 4.566 4.740 0.000 0.000 0.193 138 N C 1.250 176.633 175.510 -0.211 0.000 1.044 138 N CA 1.349 54.254 53.050 -0.242 0.000 0.847 138 N CB -0.230 38.111 38.487 -0.243 0.000 1.030 138 N HN 0.323 nan 8.380 nan 0.000 0.422 139 K N 1.310 121.567 120.400 -0.239 0.000 2.522 139 K HA 0.160 4.480 4.320 0.000 0.000 0.194 139 K C -0.218 176.249 176.600 -0.223 0.000 1.026 139 K CA -0.173 56.000 56.287 -0.190 0.000 1.119 139 K CB 0.316 32.725 32.500 -0.151 0.000 0.856 139 K HN 0.097 nan 8.250 nan 0.000 0.513 140 R N 1.056 121.380 120.500 -0.292 0.000 3.387 140 R HA -0.222 4.118 4.340 0.000 0.000 0.254 140 R C -0.570 175.525 176.300 -0.342 0.000 1.006 140 R CA 0.963 56.899 56.100 -0.273 0.000 0.677 140 R CB -2.408 27.848 30.300 -0.073 0.000 1.063 140 R HN 0.516 nan 8.270 nan 0.000 0.453 141 Q N -0.570 118.838 119.800 -0.653 0.000 2.456 141 Q HA 0.555 4.895 4.340 0.000 0.000 0.284 141 Q C -0.830 174.993 176.000 -0.294 0.000 1.061 141 Q CA -1.183 54.436 55.803 -0.306 0.000 0.799 141 Q CB 1.699 30.362 28.738 -0.124 0.000 1.445 141 Q HN 0.050 nan 8.270 nan 0.000 0.411 142 L N 1.286 122.577 121.223 0.113 0.000 2.375 142 L HA 0.319 4.659 4.340 0.000 0.000 0.271 142 L C -0.261 176.693 176.870 0.140 0.000 1.107 142 L CA -0.251 54.736 54.840 0.245 0.000 0.806 142 L CB 0.380 42.654 42.059 0.358 0.000 1.146 142 L HN 0.456 nan 8.230 nan 0.000 0.447 143 I N 2.255 122.915 120.570 0.150 0.000 2.363 143 I HA 0.075 4.245 4.170 0.000 0.000 0.292 143 I C 1.145 177.314 176.117 0.086 0.000 1.075 143 I CA 0.222 61.584 61.300 0.104 0.000 1.333 143 I CB 0.655 38.714 38.000 0.099 0.000 1.415 143 I HN 0.789 nan 8.210 nan 0.000 0.502 144 T N 2.846 117.438 114.554 0.064 0.000 3.054 144 T HA 0.039 4.389 4.350 0.000 0.000 0.259 144 T C 0.652 175.367 174.700 0.024 0.000 1.092 144 T CA 0.083 62.215 62.100 0.053 0.000 1.121 144 T CB 0.149 69.046 68.868 0.049 0.000 0.912 144 T HN 0.651 nan 8.240 nan 0.000 0.489 145 E N 1.211 121.418 120.200 0.011 0.000 2.299 145 E HA 0.263 4.613 4.350 0.000 0.000 0.265 145 E C -0.833 175.749 176.600 -0.029 0.000 0.911 145 E CA -0.689 55.704 56.400 -0.010 0.000 0.789 145 E CB 1.060 30.756 29.700 -0.007 0.000 1.246 145 E HN 0.034 nan 8.360 nan 0.000 0.427 146 E N 0.609 120.778 120.200 -0.052 0.000 2.230 146 E HA -0.218 4.132 4.350 0.000 0.000 0.206 146 E C -0.408 176.131 176.600 -0.102 0.000 1.309 146 E CA 0.645 56.998 56.400 -0.078 0.000 0.697 146 E CB -1.175 28.489 29.700 -0.060 0.000 1.146 146 E HN 0.515 nan 8.360 nan 0.000 0.363 147 R N -0.371 120.056 120.500 -0.122 0.000 2.580 147 R HA 0.508 4.848 4.340 0.000 0.000 0.267 147 R C 1.079 177.207 176.300 -0.287 0.000 1.125 147 R CA -0.730 55.281 56.100 -0.150 0.000 1.188 147 R CB 0.615 30.858 30.300 -0.096 0.000 1.155 147 R HN 0.103 nan 8.270 nan 0.000 0.586 148 I N 2.952 123.314 120.570 -0.347 0.000 2.416 148 I HA 0.143 4.313 4.170 0.000 0.000 0.288 148 I C -1.858 173.947 176.117 -0.519 0.000 1.051 148 I CA -1.942 58.986 61.300 -0.620 0.000 1.375 148 I CB 0.965 38.608 38.000 -0.596 0.000 1.407 148 I HN 0.260 nan 8.210 nan 0.000 0.516 149 P HA 0.012 nan 4.420 nan 0.000 0.268 149 P C -0.767 176.345 177.300 -0.313 0.000 1.208 149 P CA -0.182 62.537 63.100 -0.635 0.000 0.777 149 P CB 0.298 31.184 31.700 -1.357 0.000 0.875 150 N N 2.890 121.491 118.700 -0.166 0.000 2.479 150 N HA -0.007 4.733 4.740 0.000 0.000 0.257 150 N C 0.446 176.022 175.510 0.110 0.000 1.232 150 N CA 0.486 53.499 53.050 -0.061 0.000 0.920 150 N CB -0.389 38.075 38.487 -0.039 0.000 1.105 150 N HN 0.419 nan 8.380 nan 0.000 0.444 151 N N -0.794 117.957 118.700 0.086 0.000 2.862 151 N HA -0.143 4.597 4.740 0.000 0.000 0.248 151 N C -0.930 174.752 175.510 0.288 0.000 1.116 151 N CA 0.583 53.730 53.050 0.163 0.000 0.727 151 N CB -1.546 37.049 38.487 0.180 0.000 1.083 151 N HN 0.480 nan 8.380 nan 0.000 0.555 152 T N 0.838 115.552 114.554 0.267 0.000 2.884 152 T HA 0.150 4.500 4.350 0.000 0.000 0.298 152 T C 1.709 176.573 174.700 0.273 0.000 0.998 152 T CA 0.112 62.385 62.100 0.288 0.000 1.124 152 T CB 1.321 70.254 68.868 0.109 0.000 0.931 152 T HN 0.153 nan 8.240 nan 0.000 0.531 153 Q N 1.704 121.656 119.800 0.254 0.000 2.297 153 Q HA 0.165 4.505 4.340 0.000 0.000 0.203 153 Q C 0.174 176.359 176.000 0.309 0.000 0.931 153 Q CA 0.368 56.339 55.803 0.280 0.000 0.885 153 Q CB 0.887 29.761 28.738 0.225 0.000 0.991 153 Q HN 0.693 nan 8.270 nan 0.000 0.498 154 W N 0.356 121.623 121.300 -0.056 0.000 3.372 154 W HA 0.495 5.155 4.660 0.000 0.000 0.315 154 W C -2.137 174.298 176.519 -0.140 0.000 1.223 154 W CA -0.679 56.588 57.345 -0.129 0.000 1.202 154 W CB 1.511 30.821 29.460 -0.250 0.000 1.367 154 W HN -0.343 nan 8.180 nan 0.000 0.531 155 V N 3.458 122.683 119.914 -1.148 0.000 2.789 155 V HA 0.698 4.818 4.120 0.000 0.000 0.311 155 V C -0.320 175.101 176.094 -1.122 0.000 1.073 155 V CA -0.605 61.120 62.300 -0.959 0.000 0.921 155 V CB 1.799 32.964 31.823 -1.097 0.000 1.009 155 V HN 0.498 nan 8.190 nan 0.000 0.426 156 T N 2.441 116.669 114.554 -0.544 0.000 2.982 156 T HA 0.527 4.877 4.350 0.000 0.000 0.321 156 T C -1.480 173.197 174.700 -0.037 0.000 1.229 156 T CA -0.373 61.594 62.100 -0.221 0.000 1.044 156 T CB 0.919 69.894 68.868 0.179 0.000 1.184 156 T HN 0.498 nan 8.240 nan 0.000 0.477 157 W N 2.901 124.232 121.300 0.052 0.000 2.126 157 W HA 0.454 5.114 4.660 0.000 0.000 0.346 157 W C 1.235 177.576 176.519 -0.297 0.000 1.279 157 W CA -0.472 56.845 57.345 -0.046 0.000 1.259 157 W CB 0.529 29.958 29.460 -0.051 0.000 1.133 157 W HN 0.809 nan 8.180 nan 0.000 0.592 158 S N 1.163 116.534 115.700 -0.549 0.000 2.579 158 S HA 0.106 4.576 4.470 0.000 0.000 0.275 158 S C -1.848 172.461 174.600 -0.485 0.000 1.345 158 S CA -0.950 56.417 58.200 -1.388 0.000 1.031 158 S CB 0.908 63.280 63.200 -1.380 0.000 0.892 158 S HN 0.276 nan 8.310 nan 0.000 0.529 159 P HA 0.077 nan 4.420 nan 0.000 0.230 159 P C 0.072 177.320 177.300 -0.087 0.000 1.158 159 P CA 0.529 63.573 63.100 -0.094 0.000 0.769 159 P CB -0.195 31.498 31.700 -0.010 0.000 0.807 160 V N -6.580 113.240 119.914 -0.158 0.000 3.049 160 V HA 0.889 5.009 4.120 0.000 0.000 0.309 160 V C 0.318 176.309 176.094 -0.172 0.000 1.148 160 V CA -0.398 61.832 62.300 -0.118 0.000 0.990 160 V CB 1.143 32.917 31.823 -0.080 0.000 1.039 160 V HN 0.356 nan 8.190 nan 0.000 0.430 161 G N 2.179 110.897 108.800 -0.137 0.000 2.525 161 G HA2 -0.142 3.818 3.960 0.000 0.000 0.248 161 G HA3 -0.142 3.818 3.960 0.000 0.000 0.248 161 G C 0.138 174.942 174.900 -0.160 0.000 1.238 161 G CA 0.660 45.635 45.100 -0.210 0.000 0.926 161 G HN 2.523 nan 8.290 nan 0.000 0.574 162 H N -0.695 118.373 119.070 -0.003 0.000 2.885 162 H HA 0.418 4.974 4.556 0.000 0.000 0.237 162 H C 0.469 175.942 175.328 0.242 0.000 1.229 162 H CA -0.132 55.974 56.048 0.096 0.000 0.947 162 H CB -0.108 29.705 29.762 0.085 0.000 2.223 162 H HN 0.498 nan 8.280 nan 0.000 0.628 163 K N 1.663 122.079 120.400 0.026 0.000 2.380 163 K HA 0.321 4.641 4.320 0.000 0.000 0.267 163 K C -0.360 176.326 176.600 0.143 0.000 0.990 163 K CA 0.033 56.340 56.287 0.033 0.000 0.946 163 K CB 1.176 33.556 32.500 -0.201 0.000 0.937 163 K HN 0.199 nan 8.250 nan 0.000 0.491 164 L N 1.508 122.832 121.223 0.167 0.000 2.381 164 L HA 0.592 4.932 4.340 0.000 0.000 0.268 164 L C -0.939 176.092 176.870 0.267 0.000 0.997 164 L CA -0.856 54.035 54.840 0.086 0.000 0.818 164 L CB 2.086 44.051 42.059 -0.157 0.000 1.310 164 L HN 0.706 nan 8.230 nan 0.000 0.416 165 A N 2.923 125.897 122.820 0.257 0.000 2.356 165 A HA 0.786 5.106 4.320 0.000 0.000 0.310 165 A C -1.574 176.012 177.584 0.003 0.000 1.075 165 A CA -0.374 51.714 52.037 0.086 0.000 0.746 165 A CB 1.253 20.242 19.000 -0.020 0.000 1.221 165 A HN 0.652 nan 8.150 nan 0.000 0.443 166 Y N -0.362 119.884 120.300 -0.090 0.000 2.609 166 Y HA 0.800 5.350 4.550 0.000 0.000 0.342 166 Y C -1.173 174.730 175.900 0.006 0.000 1.058 166 Y CA -1.559 56.464 58.100 -0.128 0.000 1.055 166 Y CB 1.266 39.580 38.460 -0.243 0.000 1.292 166 Y HN 0.394 nan 8.280 nan 0.000 0.476 167 V N 2.033 122.073 119.914 0.210 0.000 2.495 167 V HA 0.375 4.495 4.120 0.000 0.000 0.298 167 V C -1.480 174.836 176.094 0.370 0.000 1.031 167 V CA -0.641 61.766 62.300 0.179 0.000 0.871 167 V CB 1.387 33.231 31.823 0.035 0.000 0.988 167 V HN 0.879 nan 8.190 nan 0.000 0.432 168 W N 4.741 126.137 121.300 0.160 0.000 3.042 168 W HA 0.448 5.108 4.660 0.000 0.000 0.337 168 W C 0.255 176.826 176.519 0.086 0.000 1.086 168 W CA -0.806 56.606 57.345 0.112 0.000 1.236 168 W CB 1.242 30.740 29.460 0.063 0.000 1.381 168 W HN 0.788 nan 8.180 nan 0.000 0.472 169 N N 5.678 124.047 118.700 -0.551 0.000 2.702 169 N HA -0.369 4.371 4.740 0.000 0.000 0.255 169 N C 0.027 175.396 175.510 -0.235 0.000 0.983 169 N CA 1.138 53.891 53.050 -0.496 0.000 0.768 169 N CB -1.063 36.958 38.487 -0.777 0.000 0.918 169 N HN 0.760 nan 8.380 nan 0.000 0.540 170 N N -2.329 116.296 118.700 -0.125 0.000 2.850 170 N HA -0.160 4.580 4.740 0.000 0.000 0.249 170 N C -1.355 174.086 175.510 -0.114 0.000 1.060 170 N CA 0.963 53.953 53.050 -0.100 0.000 0.825 170 N CB -0.397 37.990 38.487 -0.167 0.000 1.132 170 N HN 0.494 nan 8.380 nan 0.000 0.564 171 D N 0.500 120.844 120.400 -0.094 0.000 2.527 171 D HA 0.509 5.149 4.640 0.000 0.000 0.233 171 D C 0.063 176.211 176.300 -0.252 0.000 1.063 171 D CA -0.380 53.482 54.000 -0.230 0.000 0.880 171 D CB 1.850 42.460 40.800 -0.317 0.000 1.457 171 D HN 0.006 nan 8.370 nan 0.000 0.475 172 I N 1.484 121.743 120.570 -0.517 0.000 2.385 172 I HA 0.280 4.450 4.170 0.000 0.000 0.294 172 I C -0.783 174.904 176.117 -0.716 0.000 0.988 172 I CA -0.554 60.436 61.300 -0.516 0.000 1.265 172 I CB 0.654 38.278 38.000 -0.627 0.000 1.388 172 I HN 0.147 nan 8.210 nan 0.000 0.480 173 Y N 4.158 124.070 120.300 -0.648 0.000 2.499 173 Y HA 0.634 5.184 4.550 0.000 0.000 0.347 173 Y C -0.294 175.270 175.900 -0.561 0.000 0.987 173 Y CA -1.005 56.681 58.100 -0.690 0.000 1.044 173 Y CB 2.037 39.846 38.460 -1.084 0.000 1.245 173 Y HN 0.124 nan 8.280 nan 0.000 0.461 174 V N 2.883 122.741 119.914 -0.094 0.000 2.540 174 V HA 0.453 4.573 4.120 0.000 0.000 0.302 174 V C -0.657 175.566 176.094 0.215 0.000 1.035 174 V CA -1.386 60.944 62.300 0.050 0.000 0.873 174 V CB 1.856 33.709 31.823 0.050 0.000 0.992 174 V HN 0.612 nan 8.190 nan 0.000 0.428 175 K N 4.163 124.690 120.400 0.212 0.000 2.394 175 K HA 0.488 4.808 4.320 0.000 0.000 0.260 175 K C 0.341 177.062 176.600 0.201 0.000 0.967 175 K CA -0.695 55.721 56.287 0.216 0.000 0.855 175 K CB 1.784 34.368 32.500 0.139 0.000 1.101 175 K HN 0.459 nan 8.250 nan 0.000 0.433 176 I N 1.123 121.833 120.570 0.234 0.000 2.286 176 I HA -0.092 4.078 4.170 0.000 0.000 0.245 176 I C 0.549 176.768 176.117 0.169 0.000 1.104 176 I CA 1.460 62.861 61.300 0.169 0.000 1.397 176 I CB -0.228 37.869 38.000 0.161 0.000 1.072 176 I HN 0.510 nan 8.210 nan 0.000 0.417 177 E N 0.065 120.360 120.200 0.158 0.000 2.256 177 E HA 0.287 4.637 4.350 0.000 0.000 0.267 177 E C -1.881 174.722 176.600 0.005 0.000 0.892 177 E CA -2.095 54.377 56.400 0.120 0.000 0.775 177 E CB 1.605 31.373 29.700 0.114 0.000 1.207 177 E HN -0.142 nan 8.360 nan 0.000 0.420 178 P HA -0.157 nan 4.420 nan 0.000 0.218 178 P C 0.847 178.091 177.300 -0.092 0.000 1.148 178 P CA 1.315 64.291 63.100 -0.206 0.000 0.822 178 P CB 0.284 31.661 31.700 -0.539 0.000 0.784 179 N N -1.391 117.280 118.700 -0.049 0.000 2.353 179 N HA 0.008 4.748 4.740 0.000 0.000 0.185 179 N C 0.281 175.790 175.510 -0.001 0.000 1.098 179 N CA 0.225 53.272 53.050 -0.006 0.000 0.872 179 N CB -0.313 38.190 38.487 0.027 0.000 0.970 179 N HN 0.107 nan 8.380 nan 0.000 0.467 180 L N 1.447 122.675 121.223 0.008 0.000 2.439 180 L HA 0.444 4.784 4.340 0.000 0.000 0.259 180 L C -2.087 174.769 176.870 -0.023 0.000 1.129 180 L CA -1.985 52.861 54.840 0.009 0.000 0.803 180 L CB 0.390 42.480 42.059 0.053 0.000 1.161 180 L HN -0.076 nan 8.230 nan 0.000 0.462 181 P HA 0.115 nan 4.420 nan 0.000 0.268 181 P C -1.092 176.102 177.300 -0.177 0.000 1.204 181 P CA -0.331 62.692 63.100 -0.127 0.000 0.768 181 P CB 0.437 32.035 31.700 -0.171 0.000 0.842 182 S N 2.400 118.047 115.700 -0.088 0.000 2.584 182 S HA 0.362 4.832 4.470 0.000 0.000 0.273 182 S C -0.589 173.970 174.600 -0.069 0.000 1.311 182 S CA -0.505 57.704 58.200 0.014 0.000 1.034 182 S CB 0.047 63.340 63.200 0.155 0.000 0.939 182 S HN 0.262 nan 8.310 nan 0.000 0.513 183 Y N 0.553 120.881 120.300 0.047 0.000 2.308 183 Y HA 0.411 4.961 4.550 0.000 0.000 0.329 183 Y C 1.142 176.983 175.900 -0.099 0.000 1.111 183 Y CA -0.843 57.263 58.100 0.010 0.000 1.179 183 Y CB 0.836 39.297 38.460 0.003 0.000 1.201 183 Y HN 0.504 nan 8.280 nan 0.000 0.483 184 R N 3.797 124.265 120.500 -0.053 0.000 2.265 184 R HA 0.217 4.557 4.340 0.000 0.000 0.314 184 R C 0.197 176.261 176.300 -0.393 0.000 1.053 184 R CA -0.018 55.758 56.100 -0.539 0.000 0.931 184 R CB 0.574 30.373 30.300 -0.835 0.000 1.024 184 R HN 0.788 nan 8.270 nan 0.000 0.457 185 I N 1.480 121.719 120.570 -0.551 0.000 2.556 185 I HA -0.030 4.140 4.170 0.000 0.000 0.251 185 I C 1.286 177.215 176.117 -0.312 0.000 1.105 185 I CA 1.000 62.097 61.300 -0.339 0.000 1.436 185 I CB -0.758 37.014 38.000 -0.380 0.000 1.139 185 I HN 0.506 nan 8.210 nan 0.000 0.438 186 T N -3.463 110.782 114.554 -0.515 0.000 2.912 186 T HA 0.398 4.748 4.350 0.000 0.000 0.288 186 T C -0.554 173.911 174.700 -0.391 0.000 1.030 186 T CA -0.498 61.401 62.100 -0.335 0.000 1.020 186 T CB 2.019 70.646 68.868 -0.401 0.000 1.056 186 T HN 0.204 nan 8.240 nan 0.000 0.480 187 W N 0.318 121.504 121.300 -0.191 0.000 2.714 187 W HA 0.227 4.887 4.660 0.000 0.000 0.353 187 W C 1.940 178.400 176.519 -0.099 0.000 0.999 187 W CA -0.137 57.131 57.345 -0.129 0.000 1.629 187 W CB 0.203 29.608 29.460 -0.091 0.000 1.106 187 W HN 0.921 nan 8.180 nan 0.000 0.545 188 T N -2.789 111.802 114.554 0.062 0.000 3.065 188 T HA 0.241 4.591 4.350 0.000 0.000 0.252 188 T C 1.355 176.047 174.700 -0.013 0.000 1.099 188 T CA 0.271 62.392 62.100 0.034 0.000 1.063 188 T CB -0.258 68.625 68.868 0.025 0.000 0.948 188 T HN 0.006 nan 8.240 nan 0.000 0.506 189 G N 1.530 110.293 108.800 -0.062 0.000 2.224 189 G HA2 0.309 4.269 3.960 0.000 0.000 0.239 189 G HA3 0.309 4.269 3.960 0.000 0.000 0.239 189 G C -0.541 174.294 174.900 -0.108 0.000 1.240 189 G CA -0.318 44.722 45.100 -0.101 0.000 0.896 189 G HN 0.602 nan 8.290 nan 0.000 0.496 190 K N 2.091 122.404 120.400 -0.145 0.000 2.588 190 K HA 0.225 4.545 4.320 0.000 0.000 0.250 190 K C -0.158 176.318 176.600 -0.207 0.000 0.972 190 K CA -0.733 55.470 56.287 -0.139 0.000 0.821 190 K CB 1.426 33.878 32.500 -0.080 0.000 1.249 190 K HN 0.618 nan 8.250 nan 0.000 0.442 191 E N 4.020 124.109 120.200 -0.186 0.000 2.694 191 E HA -0.153 4.197 4.350 0.000 0.000 0.250 191 E C -0.649 175.855 176.600 -0.161 0.000 0.963 191 E CA 1.010 57.298 56.400 -0.186 0.000 0.949 191 E CB 0.147 29.772 29.700 -0.125 0.000 0.911 191 E HN 0.648 nan 8.360 nan 0.000 0.500 192 D N 2.795 123.065 120.400 -0.217 0.000 3.079 192 D HA -0.212 4.428 4.640 0.000 0.000 0.214 192 D C 0.367 176.661 176.300 -0.011 0.000 1.145 192 D CA 1.357 55.336 54.000 -0.037 0.000 0.958 192 D CB -0.601 40.238 40.800 0.064 0.000 1.117 192 D HN 0.470 nan 8.370 nan 0.000 0.416 193 I N -1.342 119.136 120.570 -0.153 0.000 3.669 193 I HA 0.100 4.270 4.170 0.000 0.000 0.255 193 I C 0.721 176.849 176.117 0.019 0.000 1.144 193 I CA 0.313 61.611 61.300 -0.005 0.000 1.447 193 I CB 0.006 38.002 38.000 -0.006 0.000 1.622 193 I HN -0.150 nan 8.210 nan 0.000 0.435 194 I N 1.992 122.501 120.570 -0.101 0.000 2.362 194 I HA 0.275 4.445 4.170 0.000 0.000 0.289 194 I C -1.156 174.896 176.117 -0.107 0.000 0.994 194 I CA -0.664 60.639 61.300 0.005 0.000 1.158 194 I CB 0.668 38.677 38.000 0.015 0.000 1.315 194 I HN 0.057 nan 8.210 nan 0.000 0.451 195 Y N 4.863 125.252 120.300 0.148 0.000 2.328 195 Y HA 0.395 4.945 4.550 0.000 0.000 0.333 195 Y C 0.418 176.375 175.900 0.096 0.000 0.958 195 Y CA -0.702 57.486 58.100 0.145 0.000 1.167 195 Y CB 1.079 39.707 38.460 0.279 0.000 1.151 195 Y HN 0.415 nan 8.280 nan 0.000 0.470 196 N N 2.278 121.033 118.700 0.092 0.000 2.444 196 N HA 0.339 5.079 4.740 0.000 0.000 0.262 196 N C 0.830 176.257 175.510 -0.138 0.000 0.974 196 N CA 0.458 53.474 53.050 -0.056 0.000 0.933 196 N CB 1.847 40.198 38.487 -0.226 0.000 1.137 196 N HN 0.994 nan 8.380 nan 0.000 0.498 197 G N 1.573 110.298 108.800 -0.126 0.000 2.179 197 G HA2 -0.251 3.709 3.960 0.000 0.000 0.260 197 G HA3 -0.251 3.709 3.960 0.000 0.000 0.260 197 G C 0.126 174.868 174.900 -0.264 0.000 0.977 197 G CA 0.695 45.659 45.100 -0.226 0.000 0.641 197 G HN 0.659 nan 8.290 nan 0.000 0.533 198 I N -1.863 118.623 120.570 -0.141 0.000 2.969 198 I HA 0.806 4.976 4.170 0.000 0.000 0.307 198 I C 0.278 176.390 176.117 -0.007 0.000 1.149 198 I CA -0.679 60.435 61.300 -0.310 0.000 1.008 198 I CB 1.979 39.632 38.000 -0.578 0.000 1.232 198 I HN 0.149 nan 8.210 nan 0.000 0.435 199 T N -0.463 114.018 114.554 -0.121 0.000 2.918 199 T HA 0.344 4.694 4.350 0.000 0.000 0.283 199 T C -0.086 174.362 174.700 -0.420 0.000 1.001 199 T CA -0.647 61.255 62.100 -0.330 0.000 1.041 199 T CB 1.393 70.184 68.868 -0.128 0.000 1.028 199 T HN 0.766 nan 8.240 nan 0.000 0.511 200 D N 0.348 120.235 120.400 -0.854 0.000 2.376 200 D HA -0.002 4.638 4.640 0.000 0.000 0.268 200 D C 1.047 177.272 176.300 -0.125 0.000 1.252 200 D CA -0.882 52.673 54.000 -0.741 0.000 1.041 200 D CB -0.071 40.291 40.800 -0.730 0.000 1.109 200 D HN 0.678 nan 8.370 nan 0.000 0.552 201 W N -0.312 120.937 121.300 -0.085 0.000 2.353 201 W HA -0.161 4.499 4.660 0.000 0.000 0.319 201 W C 2.197 178.623 176.519 -0.156 0.000 1.207 201 W CA 2.274 59.573 57.345 -0.077 0.000 1.291 201 W CB -0.566 28.792 29.460 -0.170 0.000 1.159 201 W HN 0.156 nan 8.180 nan 0.000 0.478 202 V N -0.059 119.874 119.914 0.031 0.000 2.667 202 V HA -0.248 3.872 4.120 0.000 0.000 0.252 202 V C 1.829 177.694 176.094 -0.382 0.000 1.065 202 V CA 1.822 64.007 62.300 -0.191 0.000 1.083 202 V CB -0.727 31.039 31.823 -0.095 0.000 0.692 202 V HN 0.300 nan 8.190 nan 0.000 0.468 203 Y N 0.812 120.895 120.300 -0.362 0.000 2.242 203 Y HA -0.162 4.388 4.550 0.000 0.000 0.291 203 Y C 2.583 178.323 175.900 -0.267 0.000 1.137 203 Y CA 2.157 60.032 58.100 -0.375 0.000 1.181 203 Y CB -0.040 38.089 38.460 -0.551 0.000 0.989 203 Y HN 0.416 nan 8.280 nan 0.000 0.527 204 E N 0.336 120.465 120.200 -0.117 0.000 2.072 204 E HA -0.277 4.073 4.350 0.000 0.000 0.191 204 E C 1.972 178.494 176.600 -0.129 0.000 0.985 204 E CA 1.562 57.930 56.400 -0.053 0.000 0.801 204 E CB 0.010 29.705 29.700 -0.007 0.000 0.750 204 E HN 0.426 nan 8.360 nan 0.000 0.452 205 E N 0.102 120.040 120.200 -0.436 0.000 2.086 205 E HA -0.110 4.240 4.350 0.000 0.000 0.190 205 E C 1.596 178.030 176.600 -0.276 0.000 0.975 205 E CA 1.253 57.384 56.400 -0.448 0.000 0.813 205 E CB 0.225 29.274 29.700 -1.085 0.000 0.768 205 E HN 0.199 nan 8.360 nan 0.000 0.457 206 E N -0.491 119.505 120.200 -0.339 0.000 2.447 206 E HA 0.064 4.414 4.350 0.000 0.000 0.204 206 E C 1.698 178.108 176.600 -0.316 0.000 0.977 206 E CA 0.760 57.009 56.400 -0.252 0.000 0.950 206 E CB 1.142 30.691 29.700 -0.252 0.000 0.975 206 E HN 0.292 nan 8.360 nan 0.000 0.496 207 V N -1.435 118.231 119.914 -0.415 0.000 2.870 207 V HA 0.105 4.225 4.120 0.000 0.000 0.232 207 V C 1.274 177.128 176.094 -0.399 0.000 1.161 207 V CA 0.428 62.417 62.300 -0.518 0.000 1.204 207 V CB -0.324 31.006 31.823 -0.822 0.000 1.003 207 V HN -0.031 nan 8.190 nan 0.000 0.499 208 F N 1.744 121.684 119.950 -0.016 0.000 2.789 208 F HA 0.437 4.964 4.527 0.000 0.000 0.300 208 F C 1.745 177.483 175.800 -0.103 0.000 1.132 208 F CA 0.526 58.529 58.000 0.005 0.000 1.404 208 F CB -0.642 38.405 39.000 0.077 0.000 1.114 208 F HN 0.248 nan 8.300 nan 0.000 0.584 209 S N 0.183 115.867 115.700 -0.027 0.000 3.477 209 S HA -0.073 4.397 4.470 0.000 0.000 0.357 209 S C 0.212 174.364 174.600 -0.746 0.000 1.083 209 S CA 0.501 58.555 58.200 -0.243 0.000 1.042 209 S CB -1.591 61.549 63.200 -0.099 0.000 0.911 209 S HN 0.623 nan 8.310 nan 0.000 0.490 210 A N -0.795 121.786 122.820 -0.399 0.000 2.594 210 A HA 0.726 5.046 4.320 0.000 0.000 0.295 210 A C -0.170 177.338 177.584 -0.127 0.000 1.071 210 A CA -0.507 51.312 52.037 -0.364 0.000 0.685 210 A CB 0.470 19.315 19.000 -0.258 0.000 1.285 210 A HN 0.212 nan 8.150 nan 0.000 0.405 211 Y N 1.592 121.682 120.300 -0.350 0.000 2.269 211 Y HA 0.141 4.691 4.550 0.000 0.000 0.294 211 Y C 1.676 177.263 175.900 -0.521 0.000 1.120 211 Y CA 1.167 59.073 58.100 -0.323 0.000 1.159 211 Y CB -0.193 38.090 38.460 -0.295 0.000 1.024 211 Y HN 0.671 nan 8.280 nan 0.000 0.532 212 S N 0.668 115.792 115.700 -0.961 0.000 2.546 212 S HA 0.317 4.787 4.470 0.000 0.000 0.290 212 S C 0.307 174.361 174.600 -0.910 0.000 1.290 212 S CA 0.299 57.700 58.200 -1.331 0.000 1.069 212 S CB 0.145 62.287 63.200 -1.764 0.000 0.846 212 S HN 0.464 nan 8.310 nan 0.000 0.495 213 A N 4.723 127.027 122.820 -0.861 0.000 2.795 213 A HA 0.521 4.841 4.320 0.000 0.000 0.282 213 A C -0.871 175.954 177.584 -1.265 0.000 0.964 213 A CA -0.646 50.812 52.037 -0.965 0.000 1.045 213 A CB -0.297 18.566 19.000 -0.229 0.000 1.174 213 A HN 0.822 nan 8.150 nan 0.000 0.493 214 L N -4.400 115.973 121.223 -1.416 0.000 2.422 214 L HA 0.866 5.206 4.340 0.000 0.000 0.264 214 L C -1.220 175.112 176.870 -0.897 0.000 0.984 214 L CA -1.400 52.872 54.840 -0.947 0.000 0.819 214 L CB 0.940 42.732 42.059 -0.444 0.000 1.330 214 L HN 0.243 nan 8.230 nan 0.000 0.410 215 W N 1.384 122.679 121.300 -0.008 0.000 2.647 215 W HA 0.356 5.016 4.660 0.000 0.000 0.328 215 W C -1.430 175.258 176.519 0.282 0.000 1.018 215 W CA -0.730 56.736 57.345 0.202 0.000 1.245 215 W CB 1.558 31.206 29.460 0.312 0.000 1.356 215 W HN 0.606 nan 8.180 nan 0.000 0.443 216 W N 2.277 123.771 121.300 0.324 0.000 2.170 216 W HA 0.233 4.893 4.660 0.000 0.000 0.336 216 W C 1.255 177.515 176.519 -0.432 0.000 1.283 216 W CA 0.255 57.632 57.345 0.052 0.000 1.224 216 W CB 0.797 30.271 29.460 0.024 0.000 1.132 216 W HN 0.187 nan 8.180 nan 0.000 0.571 217 S N 2.392 117.711 115.700 -0.634 0.000 2.592 217 S HA 0.205 4.676 4.470 0.000 0.000 0.271 217 S C -1.763 172.576 174.600 -0.435 0.000 1.326 217 S CA -1.053 56.277 58.200 -1.449 0.000 1.024 217 S CB 1.264 63.658 63.200 -1.342 0.000 0.921 217 S HN 0.269 nan 8.310 nan 0.000 0.527 218 P HA -0.190 nan 4.420 nan 0.000 0.217 218 P C 0.923 178.194 177.300 -0.049 0.000 1.158 218 P CA 1.798 64.868 63.100 -0.049 0.000 0.887 218 P CB -0.204 31.512 31.700 0.027 0.000 0.792 219 N N -2.211 116.450 118.700 -0.064 0.000 2.280 219 N HA 0.127 4.867 4.740 0.000 0.000 0.192 219 N C 1.067 176.512 175.510 -0.108 0.000 1.109 219 N CA 0.616 53.626 53.050 -0.067 0.000 0.855 219 N CB -0.612 37.852 38.487 -0.039 0.000 0.974 219 N HN 0.200 nan 8.380 nan 0.000 0.482 220 G N -1.139 107.604 108.800 -0.094 0.000 2.157 220 G HA2 -0.318 3.643 3.960 0.000 0.000 0.239 220 G HA3 -0.318 3.643 3.960 0.000 0.000 0.239 220 G C 0.936 175.864 174.900 0.046 0.000 0.982 220 G CA 0.605 45.660 45.100 -0.074 0.000 0.650 220 G HN 0.355 nan 8.290 nan 0.000 0.527 221 T N 0.034 114.546 114.554 -0.070 0.000 2.674 221 T HA 0.167 4.517 4.350 0.000 0.000 0.265 221 T C 0.822 175.350 174.700 -0.288 0.000 1.039 221 T CA 1.404 63.348 62.100 -0.259 0.000 1.150 221 T CB -0.105 68.485 68.868 -0.462 0.000 0.864 221 T HN 0.301 nan 8.240 nan 0.000 0.427 222 F N 0.181 120.144 119.950 0.022 0.000 2.458 222 F HA 0.551 5.078 4.527 0.000 0.000 0.330 222 F C -0.047 175.774 175.800 0.036 0.000 1.082 222 F CA -1.219 56.813 58.000 0.054 0.000 0.995 222 F CB 1.147 40.212 39.000 0.107 0.000 1.170 222 F HN -0.082 nan 8.300 nan 0.000 0.478 223 L N 3.154 124.475 121.223 0.163 0.000 2.318 223 L HA 0.653 4.993 4.340 0.000 0.000 0.277 223 L C -0.508 176.422 176.870 0.099 0.000 1.008 223 L CA -0.501 54.259 54.840 -0.133 0.000 0.846 223 L CB 0.674 42.434 42.059 -0.498 0.000 1.220 223 L HN 0.806 nan 8.230 nan 0.000 0.423 224 A N 4.978 127.942 122.820 0.240 0.000 2.302 224 A HA 0.672 4.992 4.320 0.000 0.000 0.285 224 A C -1.165 176.459 177.584 0.066 0.000 1.105 224 A CA -0.205 51.865 52.037 0.055 0.000 0.816 224 A CB 0.732 19.839 19.000 0.178 0.000 1.067 224 A HN 0.731 nan 8.150 nan 0.000 0.489 225 Y N -2.218 117.861 120.300 -0.367 0.000 2.656 225 Y HA 0.731 5.281 4.550 0.000 0.000 0.334 225 Y C -0.317 175.362 175.900 -0.367 0.000 1.179 225 Y CA -0.878 57.073 58.100 -0.248 0.000 1.050 225 Y CB 0.816 39.119 38.460 -0.261 0.000 1.308 225 Y HN 0.910 nan 8.280 nan 0.000 0.456 226 A N 1.949 124.808 122.820 0.065 0.000 2.294 226 A HA 0.685 5.005 4.320 0.000 0.000 0.330 226 A C -1.133 176.338 177.584 -0.188 0.000 1.133 226 A CA -0.824 51.122 52.037 -0.152 0.000 0.836 226 A CB 1.726 20.639 19.000 -0.145 0.000 1.190 226 A HN 0.799 nan 8.150 nan 0.000 0.492 227 Q N 0.685 120.281 119.800 -0.339 0.000 2.337 227 Q HA 0.606 4.946 4.340 0.000 0.000 0.270 227 Q C -2.168 173.567 176.000 -0.442 0.000 1.043 227 Q CA -0.383 55.319 55.803 -0.168 0.000 0.794 227 Q CB 1.257 30.150 28.738 0.258 0.000 1.281 227 Q HN 0.591 nan 8.270 nan 0.000 0.446 228 F N 2.423 122.482 119.950 0.180 0.000 2.467 228 F HA 0.379 4.906 4.527 0.000 0.000 0.336 228 F C 0.306 176.262 175.800 0.260 0.000 1.123 228 F CA -0.925 57.166 58.000 0.152 0.000 0.964 228 F CB 1.457 40.474 39.000 0.029 0.000 1.136 228 F HN 0.404 nan 8.300 nan 0.000 0.447 229 N N 2.320 121.234 118.700 0.357 0.000 2.457 229 N HA 0.183 4.923 4.740 0.000 0.000 0.250 229 N C -0.625 175.060 175.510 0.293 0.000 0.982 229 N CA -0.134 53.087 53.050 0.285 0.000 0.941 229 N CB 1.076 39.678 38.487 0.192 0.000 1.120 229 N HN 0.601 nan 8.380 nan 0.000 0.505 230 D N 1.309 121.899 120.400 0.317 0.000 2.402 230 D HA 0.123 4.763 4.640 0.000 0.000 0.216 230 D C 1.260 177.677 176.300 0.195 0.000 1.128 230 D CA 0.118 54.289 54.000 0.285 0.000 0.833 230 D CB 0.602 41.643 40.800 0.401 0.000 0.971 230 D HN 0.457 nan 8.370 nan 0.000 0.503 231 T N 0.382 115.029 114.554 0.156 0.000 2.592 231 T HA -0.236 4.114 4.350 0.000 0.000 0.267 231 T C 1.328 176.085 174.700 0.096 0.000 1.060 231 T CA 1.456 63.622 62.100 0.109 0.000 1.167 231 T CB -0.093 68.828 68.868 0.089 0.000 0.863 231 T HN 0.225 nan 8.240 nan 0.000 0.431 232 E N 0.248 120.506 120.200 0.096 0.000 2.444 232 E HA 0.176 4.527 4.350 0.000 0.000 0.191 232 E C -0.537 176.115 176.600 0.087 0.000 1.041 232 E CA -0.273 56.175 56.400 0.079 0.000 0.883 232 E CB 0.513 30.252 29.700 0.066 0.000 1.024 232 E HN 0.184 nan 8.360 nan 0.000 0.470 233 V N 4.165 124.145 119.914 0.112 0.000 2.470 233 V HA 0.092 4.212 4.120 0.000 0.000 0.276 233 V C -1.771 174.386 176.094 0.105 0.000 1.040 233 V CA -1.460 60.910 62.300 0.117 0.000 1.008 233 V CB 0.167 32.080 31.823 0.149 0.000 0.990 233 V HN 0.126 nan 8.190 nan 0.000 0.477 234 P HA 0.210 nan 4.420 nan 0.000 0.270 234 P C -0.779 176.567 177.300 0.077 0.000 1.223 234 P CA -0.241 62.903 63.100 0.073 0.000 0.785 234 P CB 0.832 32.572 31.700 0.067 0.000 0.923 235 L N 1.525 122.771 121.223 0.037 0.000 2.309 235 L HA 0.419 4.759 4.340 0.000 0.000 0.282 235 L C 0.665 177.498 176.870 -0.062 0.000 1.036 235 L CA -1.169 53.675 54.840 0.007 0.000 0.806 235 L CB 1.090 43.143 42.059 -0.010 0.000 1.220 235 L HN 0.281 nan 8.230 nan 0.000 0.429 236 I N 2.940 123.426 120.570 -0.140 0.000 2.395 236 I HA 0.202 4.372 4.170 0.000 0.000 0.289 236 I C -0.158 175.809 176.117 -0.251 0.000 1.023 236 I CA 0.142 61.257 61.300 -0.309 0.000 1.350 236 I CB 0.741 38.307 38.000 -0.725 0.000 1.409 236 I HN 0.629 nan 8.210 nan 0.000 0.507 237 E N 7.495 127.570 120.200 -0.208 0.000 2.222 237 E HA 0.562 4.912 4.350 0.000 0.000 0.267 237 E C -1.730 174.806 176.600 -0.107 0.000 0.884 237 E CA -0.735 55.541 56.400 -0.206 0.000 0.764 237 E CB 1.868 31.470 29.700 -0.163 0.000 1.169 237 E HN 0.572 nan 8.360 nan 0.000 0.413 238 Y N -1.567 118.637 120.300 -0.160 0.000 2.581 238 Y HA 0.544 5.095 4.550 0.000 0.000 0.337 238 Y C -0.870 174.949 175.900 -0.135 0.000 1.108 238 Y CA -1.318 56.693 58.100 -0.149 0.000 1.033 238 Y CB 1.044 39.417 38.460 -0.146 0.000 1.318 238 Y HN 0.339 nan 8.280 nan 0.000 0.459 239 S N 2.279 117.973 115.700 -0.010 0.000 2.565 239 S HA 0.449 4.919 4.470 0.000 0.000 0.276 239 S C -1.275 173.160 174.600 -0.276 0.000 1.326 239 S CA -0.283 57.765 58.200 -0.253 0.000 1.045 239 S CB 0.236 63.159 63.200 -0.463 0.000 0.918 239 S HN 0.535 nan 8.310 nan 0.000 0.505 240 F N 1.977 121.652 119.950 -0.459 0.000 2.507 240 F HA 0.459 4.986 4.527 0.000 0.000 0.325 240 F C -0.328 175.221 175.800 -0.417 0.000 1.116 240 F CA -0.815 56.980 58.000 -0.340 0.000 0.930 240 F CB 1.070 40.023 39.000 -0.080 0.000 1.146 240 F HN 0.661 nan 8.300 nan 0.000 0.447 241 Y N 2.381 122.477 120.300 -0.341 0.000 2.507 241 Y HA 0.214 4.764 4.550 0.000 0.000 0.263 241 Y C 1.505 177.363 175.900 -0.070 0.000 1.093 241 Y CA 0.737 58.745 58.100 -0.153 0.000 1.285 241 Y CB -0.191 38.159 38.460 -0.182 0.000 1.115 241 Y HN 0.734 nan 8.280 nan 0.000 0.533 242 S N 0.043 115.738 115.700 -0.008 0.000 3.381 242 S HA -0.217 4.254 4.470 0.000 0.000 0.636 242 S C -0.636 174.029 174.600 0.108 0.000 2.614 242 S CA 0.290 58.595 58.200 0.176 0.000 2.810 242 S CB -1.001 62.361 63.200 0.270 0.000 0.331 242 S HN 0.464 nan 8.310 nan 0.000 1.788 243 D N 2.027 122.496 120.400 0.116 0.000 2.449 243 D HA 0.126 4.766 4.640 0.000 0.000 0.236 243 D C 1.484 177.821 176.300 0.062 0.000 1.149 243 D CA 0.687 54.733 54.000 0.077 0.000 0.878 243 D CB 0.284 41.127 40.800 0.072 0.000 1.198 243 D HN 0.700 nan 8.370 nan 0.000 0.446 244 E N 0.026 120.249 120.200 0.038 0.000 2.396 244 E HA -0.194 4.156 4.350 0.000 0.000 0.200 244 E C 1.103 177.719 176.600 0.026 0.000 1.023 244 E CA 0.964 57.378 56.400 0.023 0.000 0.857 244 E CB -0.065 29.637 29.700 0.004 0.000 0.775 244 E HN 0.331 nan 8.360 nan 0.000 0.525 245 S N 0.942 116.664 115.700 0.037 0.000 2.423 245 S HA -0.082 4.388 4.470 0.000 0.000 0.231 245 S C 1.229 175.859 174.600 0.050 0.000 1.014 245 S CA 0.197 58.420 58.200 0.038 0.000 0.965 245 S CB -0.306 62.918 63.200 0.040 0.000 0.785 245 S HN 0.358 nan 8.310 nan 0.000 0.495 246 L N 2.958 124.220 121.223 0.066 0.000 2.385 246 L HA 0.165 4.505 4.340 0.000 0.000 0.281 246 L C 1.455 178.375 176.870 0.082 0.000 1.106 246 L CA 0.176 55.069 54.840 0.088 0.000 0.856 246 L CB 0.918 43.044 42.059 0.112 0.000 1.186 246 L HN 0.448 nan 8.230 nan 0.000 0.453 247 Q N 4.681 124.537 119.800 0.094 0.000 2.046 247 Q HA -0.112 4.228 4.340 0.000 0.000 0.200 247 Q C -0.583 175.408 176.000 -0.015 0.000 0.975 247 Q CA 1.393 57.222 55.803 0.043 0.000 0.836 247 Q CB 0.142 28.934 28.738 0.090 0.000 0.896 247 Q HN 0.636 nan 8.270 nan 0.000 0.428 248 Y N 0.766 121.086 120.300 0.033 0.000 2.352 248 Y HA 0.391 4.941 4.550 0.000 0.000 0.339 248 Y C -2.041 173.883 175.900 0.040 0.000 0.992 248 Y CA -3.014 55.105 58.100 0.031 0.000 1.100 248 Y CB 1.230 39.698 38.460 0.014 0.000 1.192 248 Y HN 0.165 nan 8.280 nan 0.000 0.458 249 P HA 0.005 nan 4.420 nan 0.000 0.266 249 P C -0.607 176.726 177.300 0.054 0.000 1.195 249 P CA -0.337 62.819 63.100 0.093 0.000 0.768 249 P CB 0.655 32.383 31.700 0.048 0.000 0.838 250 K N 1.625 122.042 120.400 0.028 0.000 2.249 250 K HA 0.237 4.557 4.320 0.000 0.000 0.280 250 K C -0.521 176.043 176.600 -0.060 0.000 1.033 250 K CA -0.186 56.106 56.287 0.008 0.000 0.946 250 K CB 0.364 32.892 32.500 0.046 0.000 1.005 250 K HN 0.356 nan 8.250 nan 0.000 0.469 251 T N 3.437 117.939 114.554 -0.086 0.000 2.727 251 T HA 0.165 4.515 4.350 0.000 0.000 0.298 251 T C -0.287 174.288 174.700 -0.209 0.000 0.942 251 T CA -0.583 61.428 62.100 -0.148 0.000 0.997 251 T CB 0.807 69.603 68.868 -0.120 0.000 0.917 251 T HN 0.262 nan 8.240 nan 0.000 0.487 252 V N 6.265 125.963 119.914 -0.361 0.000 2.614 252 V HA 0.408 4.528 4.120 0.000 0.000 0.291 252 V C 0.617 176.435 176.094 -0.460 0.000 1.049 252 V CA -0.402 61.628 62.300 -0.450 0.000 1.038 252 V CB 0.413 31.774 31.823 -0.770 0.000 0.980 252 V HN 0.779 nan 8.190 nan 0.000 0.481 253 R N 3.527 123.877 120.500 -0.250 0.000 2.628 253 R HA 0.838 5.178 4.340 0.000 0.000 0.288 253 R C -2.137 174.128 176.300 -0.059 0.000 0.980 253 R CA -0.678 55.314 56.100 -0.181 0.000 0.891 253 R CB 1.910 32.137 30.300 -0.121 0.000 1.188 253 R HN 0.355 nan 8.270 nan 0.000 0.450 254 V N 2.994 122.880 119.914 -0.046 0.000 2.623 254 V HA 0.350 4.470 4.120 0.000 0.000 0.304 254 V C -2.459 173.685 176.094 0.083 0.000 1.054 254 V CA -2.180 60.160 62.300 0.067 0.000 0.882 254 V CB 2.512 34.339 31.823 0.007 0.000 1.002 254 V HN 0.707 nan 8.190 nan 0.000 0.424 255 P HA 0.180 nan 4.420 nan 0.000 0.266 255 P C -1.410 176.015 177.300 0.207 0.000 1.215 255 P CA 0.349 63.564 63.100 0.191 0.000 0.763 255 P CB -0.142 31.716 31.700 0.262 0.000 0.806 256 Y N 6.158 126.455 120.300 -0.004 0.000 2.287 256 Y HA 0.355 4.905 4.550 0.000 0.000 0.321 256 Y C -2.859 173.030 175.900 -0.018 0.000 1.173 256 Y CA -2.724 55.328 58.100 -0.080 0.000 1.124 256 Y CB 1.746 40.034 38.460 -0.287 0.000 1.201 256 Y HN 0.273 nan 8.280 nan 0.000 0.421 257 P HA 0.295 nan 4.420 nan 0.000 0.288 257 P C -0.828 176.513 177.300 0.069 0.000 1.363 257 P CA -0.226 62.910 63.100 0.061 0.000 0.837 257 P CB 1.137 32.853 31.700 0.027 0.000 0.981 258 K N 1.941 122.485 120.400 0.240 0.000 2.132 258 K HA 0.460 4.780 4.320 0.000 0.000 0.240 258 K C 0.666 177.365 176.600 0.165 0.000 1.036 258 K CA -0.619 55.824 56.287 0.261 0.000 0.888 258 K CB 0.352 33.028 32.500 0.292 0.000 1.071 258 K HN 0.427 nan 8.250 nan 0.000 0.502 259 A N 0.634 123.572 122.820 0.198 0.000 2.548 259 A HA 0.324 4.644 4.320 0.000 0.000 0.247 259 A C 1.181 178.806 177.584 0.068 0.000 1.067 259 A CA 0.802 52.942 52.037 0.171 0.000 0.757 259 A CB -1.093 18.096 19.000 0.314 0.000 0.996 259 A HN 0.878 nan 8.150 nan 0.000 0.504 260 G N 0.893 109.720 108.800 0.046 0.000 2.179 260 G HA2 0.085 4.045 3.960 0.000 0.000 0.260 260 G HA3 0.085 4.045 3.960 0.000 0.000 0.260 260 G C 0.713 175.623 174.900 0.017 0.000 0.977 260 G CA 0.802 45.901 45.100 -0.001 0.000 0.641 260 G HN 2.104 nan 8.290 nan 0.000 0.533 261 A N -0.526 122.321 122.820 0.046 0.000 2.251 261 A HA 0.734 5.054 4.320 0.000 0.000 0.278 261 A C 0.831 178.446 177.584 0.052 0.000 1.206 261 A CA 0.383 52.452 52.037 0.054 0.000 0.822 261 A CB 0.477 19.526 19.000 0.082 0.000 1.187 261 A HN 1.142 nan 8.150 nan 0.000 0.504 262 V N 2.349 122.298 119.914 0.057 0.000 2.439 262 V HA 0.071 4.192 4.120 0.000 0.000 0.271 262 V C 0.215 176.354 176.094 0.075 0.000 1.040 262 V CA -0.385 61.950 62.300 0.058 0.000 1.002 262 V CB -0.204 31.655 31.823 0.059 0.000 1.000 262 V HN 0.746 nan 8.190 nan 0.000 0.477 263 N N 6.652 125.395 118.700 0.071 0.000 2.445 263 N HA 0.382 5.122 4.740 0.000 0.000 0.264 263 N C -2.180 173.410 175.510 0.134 0.000 1.227 263 N CA -1.380 51.730 53.050 0.101 0.000 0.963 263 N CB 0.581 39.119 38.487 0.085 0.000 1.188 263 N HN 0.393 nan 8.380 nan 0.000 0.491 264 P HA 0.072 nan 4.420 nan 0.000 0.271 264 P C -0.524 176.919 177.300 0.239 0.000 1.244 264 P CA -0.042 63.214 63.100 0.260 0.000 0.793 264 P CB 0.265 32.178 31.700 0.355 0.000 0.984 265 T N -2.769 111.921 114.554 0.227 0.000 2.924 265 T HA 0.598 4.948 4.350 0.000 0.000 0.291 265 T C -0.530 174.288 174.700 0.196 0.000 1.045 265 T CA -0.881 61.305 62.100 0.144 0.000 1.015 265 T CB 1.556 70.477 68.868 0.089 0.000 1.103 265 T HN 0.342 nan 8.240 nan 0.000 0.496 266 V N 0.710 120.705 119.914 0.134 0.000 2.914 266 V HA 0.813 4.933 4.120 0.000 0.000 0.314 266 V C -1.430 174.712 176.094 0.079 0.000 1.084 266 V CA -0.809 61.534 62.300 0.072 0.000 0.963 266 V CB 1.994 33.898 31.823 0.136 0.000 1.025 266 V HN 1.047 nan 8.190 nan 0.000 0.432 267 K N 4.057 124.437 120.400 -0.033 0.000 2.477 267 K HA 0.561 4.881 4.320 0.000 0.000 0.255 267 K C -1.979 174.495 176.600 -0.210 0.000 0.952 267 K CA -0.466 55.772 56.287 -0.081 0.000 0.826 267 K CB 2.765 35.192 32.500 -0.121 0.000 1.331 267 K HN 0.575 nan 8.250 nan 0.000 0.437 268 F N 2.145 121.766 119.950 -0.549 0.000 2.507 268 F HA 0.567 5.094 4.527 0.000 0.000 0.325 268 F C -1.417 173.808 175.800 -0.958 0.000 1.116 268 F CA -0.536 57.123 58.000 -0.569 0.000 0.930 268 F CB 0.844 39.665 39.000 -0.298 0.000 1.146 268 F HN 0.372 nan 8.300 nan 0.000 0.447 269 F N 3.965 123.276 119.950 -1.064 0.000 2.603 269 F HA 0.758 5.285 4.527 0.000 0.000 0.317 269 F C -0.988 174.248 175.800 -0.940 0.000 1.066 269 F CA -1.195 56.278 58.000 -0.880 0.000 0.941 269 F CB 2.054 40.399 39.000 -1.091 0.000 1.291 269 F HN 0.084 nan 8.300 nan 0.000 0.472 270 V N 2.391 122.133 119.914 -0.286 0.000 2.709 270 V HA 0.692 4.812 4.120 0.000 0.000 0.308 270 V C -1.136 175.039 176.094 0.136 0.000 1.062 270 V CA -0.867 61.336 62.300 -0.162 0.000 0.901 270 V CB 2.065 33.627 31.823 -0.436 0.000 1.003 270 V HN 0.628 nan 8.190 nan 0.000 0.425 271 V N 3.796 123.854 119.914 0.240 0.000 2.823 271 V HA 0.566 4.686 4.120 0.000 0.000 0.312 271 V C -0.401 175.894 176.094 0.335 0.000 1.072 271 V CA -0.649 61.817 62.300 0.276 0.000 0.937 271 V CB 2.124 34.058 31.823 0.184 0.000 1.013 271 V HN 0.996 nan 8.190 nan 0.000 0.430 272 N N 2.889 121.740 118.700 0.253 0.000 2.437 272 N HA 0.212 4.952 4.740 0.000 0.000 0.243 272 N C 1.211 176.689 175.510 -0.054 0.000 1.041 272 N CA 0.346 53.415 53.050 0.031 0.000 0.940 272 N CB 1.203 39.688 38.487 -0.003 0.000 1.133 272 N HN 0.923 nan 8.380 nan 0.000 0.506 273 T N 0.007 114.518 114.554 -0.072 0.000 3.035 273 T HA -0.068 4.282 4.350 0.000 0.000 0.268 273 T C 0.842 175.464 174.700 -0.130 0.000 1.109 273 T CA 0.820 62.877 62.100 -0.072 0.000 1.119 273 T CB 0.068 68.979 68.868 0.071 0.000 0.900 273 T HN 0.379 nan 8.240 nan 0.000 0.503 274 D N 2.221 122.533 120.400 -0.147 0.000 2.234 274 D HA 0.008 4.648 4.640 0.000 0.000 0.205 274 D C 1.348 177.582 176.300 -0.110 0.000 0.962 274 D CA 1.067 54.987 54.000 -0.133 0.000 0.855 274 D CB -0.091 40.617 40.800 -0.153 0.000 0.951 274 D HN 0.641 nan 8.370 nan 0.000 0.500 275 S N 0.397 116.038 115.700 -0.098 0.000 2.560 275 S HA 0.350 4.820 4.470 0.000 0.000 0.227 275 S C 0.297 174.852 174.600 -0.075 0.000 1.280 275 S CA -0.592 57.574 58.200 -0.058 0.000 1.260 275 S CB -0.272 62.922 63.200 -0.010 0.000 1.002 275 S HN 0.012 nan 8.310 nan 0.000 0.509 276 L N 1.055 122.171 121.223 -0.178 0.000 2.357 276 L HA 0.464 4.804 4.340 0.000 0.000 0.273 276 L C 1.371 178.176 176.870 -0.109 0.000 1.080 276 L CA -0.453 54.222 54.840 -0.274 0.000 0.803 276 L CB 1.709 43.294 42.059 -0.789 0.000 1.174 276 L HN 0.467 nan 8.230 nan 0.000 0.443 277 S N 0.391 116.150 115.700 0.097 0.000 2.527 277 S HA -0.052 4.418 4.470 0.000 0.000 0.225 277 S C 1.243 176.034 174.600 0.319 0.000 1.046 277 S CA 0.801 59.114 58.200 0.188 0.000 0.929 277 S CB 0.113 63.391 63.200 0.130 0.000 0.851 277 S HN 0.988 nan 8.310 nan 0.000 0.565 278 S N -1.100 114.817 115.700 0.362 0.000 2.691 278 S HA -0.146 4.324 4.470 0.000 0.000 0.262 278 S C 0.728 175.397 174.600 0.116 0.000 1.284 278 S CA 1.161 59.469 58.200 0.179 0.000 1.372 278 S CB -2.063 61.186 63.200 0.082 0.000 1.693 278 S HN 0.668 nan 8.310 nan 0.000 0.647 279 V N 0.670 120.656 119.914 0.120 0.000 3.562 279 V HA 0.348 4.468 4.120 0.000 0.000 0.270 279 V C 0.818 176.956 176.094 0.073 0.000 1.418 279 V CA 0.996 63.344 62.300 0.080 0.000 1.033 279 V CB 0.910 32.771 31.823 0.064 0.000 0.820 279 V HN 0.689 nan 8.190 nan 0.000 0.441 280 T N 0.940 115.551 114.554 0.094 0.000 2.863 280 T HA 0.413 4.763 4.350 0.000 0.000 0.285 280 T C -0.367 174.401 174.700 0.113 0.000 1.009 280 T CA -0.552 61.594 62.100 0.077 0.000 0.989 280 T CB 1.554 70.460 68.868 0.063 0.000 1.004 280 T HN 0.040 nan 8.240 nan 0.000 0.455 281 N N 1.836 120.588 118.700 0.087 0.000 2.412 281 N HA 0.287 5.027 4.740 0.000 0.000 0.254 281 N C 0.397 175.977 175.510 0.116 0.000 1.232 281 N CA 0.004 53.133 53.050 0.131 0.000 0.880 281 N CB 0.400 38.895 38.487 0.014 0.000 1.076 281 N HN 0.879 nan 8.380 nan 0.000 0.458 282 A N 1.924 124.827 122.820 0.138 0.000 2.429 282 A HA 0.317 4.637 4.320 0.000 0.000 0.242 282 A C 0.211 177.845 177.584 0.084 0.000 1.088 282 A CA 0.084 52.176 52.037 0.093 0.000 0.784 282 A CB 0.126 19.167 19.000 0.068 0.000 1.038 282 A HN 0.580 nan 8.150 nan 0.000 0.501 283 T N 1.368 115.977 114.554 0.093 0.000 2.797 283 T HA 0.552 4.902 4.350 0.000 0.000 0.279 283 T C -0.393 174.391 174.700 0.140 0.000 0.991 283 T CA -0.263 61.902 62.100 0.108 0.000 0.979 283 T CB 1.203 70.144 68.868 0.121 0.000 0.943 283 T HN 0.471 nan 8.240 nan 0.000 0.444 284 S N 3.388 119.168 115.700 0.133 0.000 2.659 284 S HA 0.416 4.886 4.470 0.000 0.000 0.312 284 S C 0.204 174.967 174.600 0.271 0.000 1.114 284 S CA -0.853 57.452 58.200 0.173 0.000 1.063 284 S CB 0.374 63.598 63.200 0.040 0.000 0.996 284 S HN 0.543 nan 8.310 nan 0.000 0.478 285 I N 2.924 123.670 120.570 0.293 0.000 2.517 285 I HA 0.196 4.366 4.170 0.000 0.000 0.285 285 I C 0.726 176.986 176.117 0.239 0.000 1.106 285 I CA -0.038 61.438 61.300 0.293 0.000 1.402 285 I CB -0.364 37.875 38.000 0.400 0.000 1.399 285 I HN 0.673 nan 8.210 nan 0.000 0.535 286 Q N 6.064 125.975 119.800 0.184 0.000 2.314 286 Q HA 0.404 4.745 4.340 0.000 0.000 0.258 286 Q C -0.919 175.041 176.000 -0.066 0.000 0.954 286 Q CA -0.367 55.351 55.803 -0.143 0.000 0.890 286 Q CB 1.259 29.907 28.738 -0.149 0.000 1.210 286 Q HN 0.622 nan 8.270 nan 0.000 0.410 287 I N 4.630 125.141 120.570 -0.100 0.000 2.337 287 I HA 0.138 4.308 4.170 0.000 0.000 0.285 287 I C 0.541 176.628 176.117 -0.049 0.000 1.041 287 I CA -0.563 60.724 61.300 -0.022 0.000 1.199 287 I CB 1.212 39.205 38.000 -0.012 0.000 1.370 287 I HN 0.722 nan 8.210 nan 0.000 0.470 288 T N 3.252 117.748 114.554 -0.098 0.000 2.856 288 T HA 0.456 4.806 4.350 0.000 0.000 0.306 288 T C 0.512 175.003 174.700 -0.349 0.000 1.062 288 T CA -0.743 61.248 62.100 -0.182 0.000 1.083 288 T CB 1.304 70.073 68.868 -0.166 0.000 0.984 288 T HN 0.579 nan 8.240 nan 0.000 0.542 289 A N 3.719 126.119 122.820 -0.700 0.000 2.425 289 A HA 0.513 4.833 4.320 0.000 0.000 0.242 289 A C -1.805 175.231 177.584 -0.914 0.000 1.077 289 A CA -1.544 49.584 52.037 -1.515 0.000 0.781 289 A CB -0.755 17.036 19.000 -2.015 0.000 1.020 289 A HN 0.847 nan 8.150 nan 0.000 0.494 290 P HA -0.005 nan 4.420 nan 0.000 0.264 290 P C 0.857 177.919 177.300 -0.398 0.000 1.179 290 P CA 0.880 63.702 63.100 -0.462 0.000 0.763 290 P CB 0.531 32.027 31.700 -0.340 0.000 0.806 291 A N 3.823 126.489 122.820 -0.256 0.000 1.892 291 A HA -0.240 4.080 4.320 0.000 0.000 0.218 291 A C 2.269 179.738 177.584 -0.191 0.000 1.188 291 A CA 2.647 54.561 52.037 -0.206 0.000 0.631 291 A CB -1.842 17.075 19.000 -0.138 0.000 0.822 291 A HN 0.663 nan 8.150 nan 0.000 0.447 292 S N -1.319 114.300 115.700 -0.136 0.000 2.440 292 S HA -0.228 4.242 4.470 0.000 0.000 0.240 292 S C 1.714 176.252 174.600 -0.103 0.000 1.014 292 S CA 1.909 60.063 58.200 -0.075 0.000 0.980 292 S CB -0.402 62.839 63.200 0.069 0.000 0.775 292 S HN 0.342 nan 8.310 nan 0.000 0.499 293 M N 1.525 120.981 119.600 -0.239 0.000 2.193 293 M HA 0.338 4.818 4.480 0.000 0.000 0.265 293 M C 1.713 177.712 176.300 -0.502 0.000 1.071 293 M CA 0.895 55.958 55.300 -0.396 0.000 1.140 293 M CB -1.101 31.081 32.600 -0.697 0.000 1.369 293 M HN 0.301 nan 8.290 nan 0.000 0.423 294 L N 0.040 120.982 121.223 -0.468 0.000 2.610 294 L HA 0.046 4.386 4.340 0.000 0.000 0.232 294 L C 1.671 178.459 176.870 -0.137 0.000 1.149 294 L CA 0.120 54.767 54.840 -0.322 0.000 0.872 294 L CB -0.912 40.982 42.059 -0.275 0.000 0.992 294 L HN 0.279 nan 8.230 nan 0.000 0.447 295 I N -2.504 117.992 120.570 -0.124 0.000 3.444 295 I HA 0.340 4.510 4.170 0.000 0.000 0.287 295 I C 0.826 176.919 176.117 -0.040 0.000 1.302 295 I CA 0.080 61.335 61.300 -0.075 0.000 1.368 295 I CB -0.536 37.414 38.000 -0.082 0.000 1.048 295 I HN 0.102 nan 8.210 nan 0.000 0.487 296 G N 0.135 108.928 108.800 -0.011 0.000 2.342 296 G HA2 0.149 4.109 3.960 0.000 0.000 0.297 296 G HA3 0.149 4.109 3.960 0.000 0.000 0.297 296 G C -1.843 173.120 174.900 0.105 0.000 1.313 296 G CA -0.745 44.368 45.100 0.022 0.000 0.830 296 G HN 0.040 nan 8.290 nan 0.000 0.506 297 D N 1.188 121.615 120.400 0.045 0.000 2.449 297 D HA 0.427 5.067 4.640 0.000 0.000 0.236 297 D C 0.536 176.830 176.300 -0.010 0.000 1.149 297 D CA 0.848 54.836 54.000 -0.020 0.000 0.878 297 D CB 0.443 41.172 40.800 -0.118 0.000 1.198 297 D HN 0.587 nan 8.370 nan 0.000 0.446 298 H N -1.139 117.783 119.070 -0.246 0.000 2.928 298 H HA 0.464 5.020 4.556 0.000 0.000 0.285 298 H C -1.327 173.802 175.328 -0.332 0.000 1.438 298 H CA -0.815 55.082 56.048 -0.252 0.000 1.176 298 H CB 0.328 30.092 29.762 0.003 0.000 1.864 298 H HN 0.343 nan 8.280 nan 0.000 0.567 299 Y N -0.136 120.356 120.300 0.319 0.000 2.553 299 Y HA 0.425 4.975 4.550 0.000 0.000 0.347 299 Y C -0.431 175.694 175.900 0.375 0.000 1.019 299 Y CA -1.168 57.108 58.100 0.293 0.000 1.032 299 Y CB 2.037 40.527 38.460 0.049 0.000 1.284 299 Y HN 0.490 nan 8.280 nan 0.000 0.466 300 L N 2.932 124.424 121.223 0.449 0.000 2.265 300 L HA 0.481 4.821 4.340 0.000 0.000 0.288 300 L C 0.334 177.209 176.870 0.009 0.000 1.058 300 L CA -0.181 54.569 54.840 -0.151 0.000 0.809 300 L CB 0.573 42.450 42.059 -0.303 0.000 1.179 300 L HN 0.998 nan 8.230 nan 0.000 0.429 301 C N 0.875 120.068 119.300 -0.177 0.000 3.642 301 C HA 0.617 5.077 4.460 0.000 0.000 0.305 301 C C 0.014 174.936 174.990 -0.114 0.000 1.492 301 C CA -0.088 58.809 59.018 -0.201 0.000 1.809 301 C CB -1.256 26.391 27.740 -0.155 0.000 2.639 301 C HN 0.897 nan 8.230 nan 0.000 0.672 302 D N 0.190 120.496 120.400 -0.155 0.000 2.886 302 D HA 0.470 5.110 4.640 0.000 0.000 0.216 302 D C -1.280 174.765 176.300 -0.424 0.000 1.256 302 D CA -0.186 53.731 54.000 -0.138 0.000 0.844 302 D CB 2.327 43.033 40.800 -0.157 0.000 1.669 302 D HN 0.419 nan 8.370 nan 0.000 0.513 303 V N 1.879 121.464 119.914 -0.548 0.000 2.577 303 V HA 0.882 5.002 4.120 0.000 0.000 0.303 303 V C -1.411 174.305 176.094 -0.629 0.000 1.042 303 V CA 0.029 61.808 62.300 -0.868 0.000 0.872 303 V CB 1.884 32.844 31.823 -1.439 0.000 0.998 303 V HN 0.644 nan 8.190 nan 0.000 0.423 304 T N 6.446 120.697 114.554 -0.505 0.000 3.031 304 T HA 0.394 4.744 4.350 0.000 0.000 0.305 304 T C -0.992 173.549 174.700 -0.265 0.000 0.985 304 T CA -0.167 61.791 62.100 -0.236 0.000 1.008 304 T CB 0.795 69.598 68.868 -0.109 0.000 1.005 304 T HN 0.790 nan 8.240 nan 0.000 0.444 305 W N 2.154 123.393 121.300 -0.102 0.000 2.181 305 W HA 0.451 5.111 4.660 0.000 0.000 0.335 305 W C 1.106 177.504 176.519 -0.202 0.000 1.310 305 W CA -0.108 57.172 57.345 -0.110 0.000 1.226 305 W CB 0.545 30.020 29.460 0.025 0.000 1.155 305 W HN 0.834 nan 8.180 nan 0.000 0.565 306 A N 1.624 124.364 122.820 -0.134 0.000 1.988 306 A HA 0.213 4.533 4.320 0.000 0.000 0.201 306 A C 0.875 178.398 177.584 -0.102 0.000 1.410 306 A CA 1.293 53.008 52.037 -0.538 0.000 0.832 306 A CB -0.355 17.805 19.000 -1.400 0.000 0.981 306 A HN 0.513 nan 8.150 nan 0.000 0.492 307 T N -5.101 109.493 114.554 0.067 0.000 2.645 307 T HA 0.356 4.706 4.350 0.000 0.000 0.273 307 T C 0.370 175.217 174.700 0.245 0.000 0.960 307 T CA -0.311 61.877 62.100 0.148 0.000 1.051 307 T CB 0.671 69.614 68.868 0.125 0.000 1.366 307 T HN -0.042 nan 8.240 nan 0.000 0.536 308 Q N 0.377 120.296 119.800 0.198 0.000 2.224 308 Q HA 0.047 4.387 4.340 0.000 0.000 0.203 308 Q C 0.920 177.139 176.000 0.365 0.000 0.970 308 Q CA 1.421 57.348 55.803 0.207 0.000 0.865 308 Q CB -0.055 28.773 28.738 0.151 0.000 0.922 308 Q HN 0.803 nan 8.270 nan 0.000 0.445 309 E N -0.202 120.219 120.200 0.368 0.000 2.810 309 E HA 0.186 4.536 4.350 0.000 0.000 0.214 309 E C -0.184 176.670 176.600 0.423 0.000 0.980 309 E CA -0.173 56.469 56.400 0.403 0.000 1.159 309 E CB 1.089 30.946 29.700 0.261 0.000 1.047 309 E HN -0.024 nan 8.360 nan 0.000 0.484 310 R N 1.616 122.376 120.500 0.433 0.000 2.532 310 R HA 0.529 4.869 4.340 0.000 0.000 0.297 310 R C -1.657 174.682 176.300 0.066 0.000 0.984 310 R CA -0.424 55.822 56.100 0.243 0.000 0.884 310 R CB 1.420 31.754 30.300 0.057 0.000 1.182 310 R HN 0.045 nan 8.270 nan 0.000 0.442 311 I N 3.229 123.684 120.570 -0.191 0.000 2.545 311 I HA 0.371 4.541 4.170 0.000 0.000 0.292 311 I C -0.971 174.828 176.117 -0.531 0.000 1.040 311 I CA -0.496 60.400 61.300 -0.674 0.000 1.068 311 I CB 2.274 39.442 38.000 -1.386 0.000 1.251 311 I HN 0.849 nan 8.210 nan 0.000 0.424 312 S N 7.512 122.880 115.700 -0.554 0.000 2.472 312 S HA 0.781 5.251 4.470 0.000 0.000 0.303 312 S C -1.180 173.100 174.600 -0.533 0.000 1.099 312 S CA -0.597 57.356 58.200 -0.412 0.000 1.077 312 S CB 1.795 64.859 63.200 -0.226 0.000 1.031 312 S HN 0.448 nan 8.310 nan 0.000 0.487 313 L N 2.401 123.337 121.223 -0.479 0.000 2.401 313 L HA 0.543 4.883 4.340 0.000 0.000 0.266 313 L C -0.463 176.121 176.870 -0.477 0.000 0.991 313 L CA -0.153 54.304 54.840 -0.639 0.000 0.818 313 L CB 2.277 43.918 42.059 -0.697 0.000 1.321 313 L HN 0.806 nan 8.230 nan 0.000 0.413 314 Q N 1.985 121.440 119.800 -0.576 0.000 2.330 314 Q HA 0.439 4.779 4.340 0.000 0.000 0.269 314 Q C -1.667 174.063 176.000 -0.450 0.000 1.022 314 Q CA -0.541 55.046 55.803 -0.360 0.000 0.796 314 Q CB 2.207 30.794 28.738 -0.251 0.000 1.271 314 Q HN 0.494 nan 8.270 nan 0.000 0.450 315 W N 2.252 123.499 121.300 -0.089 0.000 2.647 315 W HA 0.668 5.328 4.660 0.000 0.000 0.353 315 W C -0.775 175.762 176.519 0.029 0.000 1.080 315 W CA -0.653 56.691 57.345 -0.002 0.000 1.208 315 W CB 1.105 30.552 29.460 -0.021 0.000 1.396 315 W HN 0.394 nan 8.180 nan 0.000 0.573 316 L N 1.926 123.376 121.223 0.378 0.000 2.493 316 L HA 0.517 4.857 4.340 0.000 0.000 0.265 316 L C -0.384 176.675 176.870 0.315 0.000 0.954 316 L CA -1.069 53.944 54.840 0.288 0.000 0.844 316 L CB 1.464 43.675 42.059 0.253 0.000 1.302 316 L HN 0.406 nan 8.230 nan 0.000 0.405 317 R N 2.808 123.456 120.500 0.247 0.000 2.594 317 R HA 0.257 4.597 4.340 0.000 0.000 0.272 317 R C 1.147 177.514 176.300 0.111 0.000 1.074 317 R CA -0.230 55.973 56.100 0.171 0.000 1.105 317 R CB 0.624 31.032 30.300 0.179 0.000 1.008 317 R HN 0.647 nan 8.270 nan 0.000 0.472 318 R N 1.712 122.181 120.500 -0.051 0.000 2.103 318 R HA -0.121 4.219 4.340 0.000 0.000 0.242 318 R C 0.413 176.771 176.300 0.097 0.000 1.142 318 R CA 1.235 57.294 56.100 -0.068 0.000 0.960 318 R CB 0.094 30.306 30.300 -0.146 0.000 0.858 318 R HN 0.422 nan 8.270 nan 0.000 0.439 319 I N 2.883 123.495 120.570 0.070 0.000 2.389 319 I HA -0.015 4.155 4.170 0.000 0.000 0.295 319 I C 0.453 176.636 176.117 0.110 0.000 1.117 319 I CA 0.594 61.940 61.300 0.076 0.000 1.317 319 I CB 0.856 38.888 38.000 0.053 0.000 1.431 319 I HN 0.231 nan 8.210 nan 0.000 0.521 320 Q N 4.566 124.427 119.800 0.103 0.000 2.292 320 Q HA -0.017 4.323 4.340 0.000 0.000 0.247 320 Q C 0.696 176.774 176.000 0.131 0.000 0.911 320 Q CA -0.000 55.876 55.803 0.122 0.000 0.948 320 Q CB -0.140 28.631 28.738 0.054 0.000 1.093 320 Q HN 0.625 nan 8.270 nan 0.000 0.428 321 N N -0.858 117.922 118.700 0.133 0.000 2.187 321 N HA -0.046 4.694 4.740 0.000 0.000 0.212 321 N C -0.977 174.636 175.510 0.171 0.000 1.152 321 N CA -0.169 52.952 53.050 0.117 0.000 0.872 321 N CB 0.319 38.852 38.487 0.077 0.000 1.025 321 N HN 0.174 nan 8.380 nan 0.000 0.514 322 Y N 1.237 121.564 120.300 0.044 0.000 2.354 322 Y HA 0.561 5.111 4.550 0.000 0.000 0.330 322 Y C -1.031 174.905 175.900 0.059 0.000 1.011 322 Y CA -0.950 57.173 58.100 0.039 0.000 1.099 322 Y CB 1.481 39.955 38.460 0.023 0.000 1.179 322 Y HN 0.148 nan 8.280 nan 0.000 0.442 323 S N 4.416 119.885 115.700 -0.385 0.000 2.595 323 S HA 0.932 5.402 4.470 0.000 0.000 0.281 323 S C -2.057 172.342 174.600 -0.335 0.000 1.117 323 S CA -0.686 57.381 58.200 -0.221 0.000 0.873 323 S CB 1.916 65.076 63.200 -0.066 0.000 1.108 323 S HN 0.503 nan 8.310 nan 0.000 0.477 324 V N 2.475 122.321 119.914 -0.113 0.000 2.760 324 V HA 0.556 4.676 4.120 0.000 0.000 0.309 324 V C -0.619 175.494 176.094 0.031 0.000 1.077 324 V CA -0.663 61.593 62.300 -0.075 0.000 0.910 324 V CB 1.949 33.750 31.823 -0.037 0.000 1.008 324 V HN 1.034 nan 8.190 nan 0.000 0.424 325 M N 3.388 122.991 119.600 0.005 0.000 2.268 325 M HA 0.551 5.031 4.480 0.000 0.000 0.344 325 M C -1.326 174.993 176.300 0.032 0.000 1.106 325 M CA -0.312 54.982 55.300 -0.010 0.000 1.010 325 M CB 1.293 33.843 32.600 -0.083 0.000 1.649 325 M HN 0.619 nan 8.290 nan 0.000 0.443 326 D N 4.707 125.119 120.400 0.020 0.000 2.198 326 D HA 0.567 5.207 4.640 0.000 0.000 0.247 326 D C -1.067 175.203 176.300 -0.050 0.000 1.010 326 D CA -0.024 53.979 54.000 0.006 0.000 0.880 326 D CB 1.775 42.598 40.800 0.038 0.000 1.209 326 D HN 0.587 nan 8.370 nan 0.000 0.451 327 I N 2.063 122.625 120.570 -0.014 0.000 2.439 327 I HA 0.280 4.450 4.170 0.000 0.000 0.283 327 I C -0.722 175.394 176.117 -0.002 0.000 1.023 327 I CA -0.578 60.709 61.300 -0.021 0.000 1.100 327 I CB 1.427 39.469 38.000 0.069 0.000 1.238 327 I HN 0.160 nan 8.210 nan 0.000 0.445 328 c N 3.831 122.419 118.600 -0.020 0.000 2.417 328 c HA 0.554 5.124 4.570 0.000 0.000 0.324 328 c C -0.349 173.884 174.090 0.238 0.000 1.240 328 c CA -0.687 55.703 56.329 0.101 0.000 1.632 328 c CB 1.150 43.720 42.510 0.100 0.000 2.241 328 c HN 0.571 nan 8.230 nan 0.000 0.499 329 D N 0.562 121.081 120.400 0.199 0.000 2.256 329 D HA 0.279 4.919 4.640 0.000 0.000 0.246 329 D C -0.530 175.667 176.300 -0.172 0.000 1.042 329 D CA -0.245 53.811 54.000 0.093 0.000 0.841 329 D CB 0.975 41.783 40.800 0.015 0.000 1.223 329 D HN 0.551 nan 8.370 nan 0.000 0.470 330 Y N 1.400 121.243 120.300 -0.763 0.000 2.610 330 Y HA 0.146 4.696 4.550 0.000 0.000 0.332 330 Y C -0.046 175.530 175.900 -0.540 0.000 1.201 330 Y CA 0.065 57.417 58.100 -1.246 0.000 1.465 330 Y CB 0.570 38.371 38.460 -1.098 0.000 1.283 330 Y HN 0.179 nan 8.280 nan 0.000 0.563 331 D N 4.748 124.481 120.400 -1.112 0.000 2.460 331 D HA 0.147 4.787 4.640 0.000 0.000 0.232 331 D C 0.798 176.614 176.300 -0.807 0.000 1.079 331 D CA -0.297 53.283 54.000 -0.699 0.000 0.864 331 D CB 0.894 41.446 40.800 -0.415 0.000 1.048 331 D HN 0.637 nan 8.370 nan 0.000 0.523 332 E N 1.531 121.389 120.200 -0.569 0.000 2.108 332 E HA -0.212 4.138 4.350 0.000 0.000 0.203 332 E C 1.052 177.505 176.600 -0.245 0.000 1.022 332 E CA 1.609 57.801 56.400 -0.347 0.000 0.823 332 E CB -0.019 29.591 29.700 -0.150 0.000 0.744 332 E HN 0.400 nan 8.360 nan 0.000 0.456 333 S N -1.729 113.848 115.700 -0.204 0.000 2.552 333 S HA 0.261 4.731 4.470 0.000 0.000 0.246 333 S C 0.648 175.182 174.600 -0.110 0.000 1.019 333 S CA 0.318 58.445 58.200 -0.121 0.000 1.045 333 S CB 0.135 63.283 63.200 -0.087 0.000 0.784 333 S HN 0.183 nan 8.310 nan 0.000 0.453 334 S N -1.616 113.998 115.700 -0.145 0.000 2.506 334 S HA 0.403 4.873 4.470 0.000 0.000 0.255 334 S C 1.292 175.849 174.600 -0.072 0.000 0.976 334 S CA 0.253 58.401 58.200 -0.088 0.000 1.493 334 S CB -0.692 62.461 63.200 -0.077 0.000 1.241 334 S HN 1.551 nan 8.310 nan 0.000 0.655 335 G N 2.474 111.179 108.800 -0.158 0.000 2.233 335 G HA2 -0.294 3.666 3.960 0.000 0.000 0.270 335 G HA3 -0.294 3.666 3.960 0.000 0.000 0.270 335 G C 0.181 175.108 174.900 0.045 0.000 1.011 335 G CA 0.806 45.878 45.100 -0.046 0.000 0.762 335 G HN 0.675 nan 8.290 nan 0.000 0.511 336 R N -2.028 118.409 120.500 -0.105 0.000 2.893 336 R HA 0.701 5.041 4.340 0.000 0.000 0.223 336 R C -0.674 175.556 176.300 -0.117 0.000 1.433 336 R CA -0.726 55.400 56.100 0.045 0.000 1.063 336 R CB 0.658 30.987 30.300 0.048 0.000 1.758 336 R HN 0.172 nan 8.270 nan 0.000 0.524 337 W N 0.346 121.668 121.300 0.036 0.000 2.656 337 W HA 0.400 5.060 4.660 0.000 0.000 0.327 337 W C -0.188 176.317 176.519 -0.024 0.000 1.041 337 W CA -0.423 56.931 57.345 0.015 0.000 1.229 337 W CB 1.062 30.528 29.460 0.009 0.000 1.397 337 W HN 0.414 nan 8.180 nan 0.000 0.479 338 N N 2.447 121.219 118.700 0.120 0.000 2.392 338 N HA 0.543 5.283 4.740 0.000 0.000 0.283 338 N C -1.407 174.142 175.510 0.065 0.000 1.003 338 N CA -0.486 52.599 53.050 0.058 0.000 0.892 338 N CB 0.851 39.334 38.487 -0.007 0.000 1.193 338 N HN 0.411 nan 8.380 nan 0.000 0.487 339 c N 4.915 123.537 118.600 0.037 0.000 2.258 339 c HA 0.370 4.940 4.570 0.000 0.000 0.321 339 c C 0.469 174.556 174.090 -0.004 0.000 1.168 339 c CA -1.081 55.257 56.329 0.015 0.000 1.531 339 c CB -1.144 41.363 42.510 -0.004 0.000 2.095 339 c HN 0.611 nan 8.230 nan 0.000 0.449 340 L N 3.195 124.419 121.223 0.001 0.000 2.500 340 L HA 0.062 4.402 4.340 0.000 0.000 0.272 340 L C 1.557 178.414 176.870 -0.022 0.000 1.149 340 L CA 0.040 54.874 54.840 -0.010 0.000 0.897 340 L CB 0.506 42.565 42.059 -0.002 0.000 1.178 340 L HN 0.630 nan 8.230 nan 0.000 0.473 341 V N 3.383 123.276 119.914 -0.034 0.000 2.439 341 V HA -0.387 3.733 4.120 0.000 0.000 0.253 341 V C 2.405 178.465 176.094 -0.056 0.000 1.074 341 V CA 2.247 64.519 62.300 -0.046 0.000 1.076 341 V CB -0.817 30.977 31.823 -0.048 0.000 0.664 341 V HN 1.034 nan 8.190 nan 0.000 0.461 342 A N -0.264 122.527 122.820 -0.048 0.000 1.969 342 A HA -0.178 4.142 4.320 0.000 0.000 0.218 342 A C 2.267 179.804 177.584 -0.078 0.000 1.169 342 A CA 1.428 53.430 52.037 -0.058 0.000 0.635 342 A CB -0.438 18.540 19.000 -0.037 0.000 0.810 342 A HN 0.538 nan 8.150 nan 0.000 0.445 343 R N -0.205 120.271 120.500 -0.039 0.000 2.319 343 R HA 0.098 4.438 4.340 0.000 0.000 0.204 343 R C 0.226 176.503 176.300 -0.038 0.000 0.954 343 R CA -0.049 56.053 56.100 0.004 0.000 1.066 343 R CB -0.003 30.345 30.300 0.079 0.000 0.991 343 R HN 0.645 nan 8.270 nan 0.000 0.486 344 Q N -0.138 119.580 119.800 -0.138 0.000 2.368 344 Q HA 0.102 4.442 4.340 0.000 0.000 0.237 344 Q C -0.777 174.973 176.000 -0.416 0.000 0.987 344 Q CA 0.175 55.896 55.803 -0.138 0.000 0.896 344 Q CB 0.929 29.616 28.738 -0.086 0.000 1.241 344 Q HN 0.241 nan 8.270 nan 0.000 0.485 345 H N 0.729 119.789 119.070 -0.016 0.000 2.761 345 H HA 0.312 4.868 4.556 0.000 0.000 0.263 345 H C -0.754 174.533 175.328 -0.068 0.000 1.292 345 H CA -0.248 55.791 56.048 -0.015 0.000 1.540 345 H CB 0.364 30.105 29.762 -0.035 0.000 1.569 345 H HN 0.450 nan 8.280 nan 0.000 0.510 346 I N 2.063 122.616 120.570 -0.028 0.000 2.775 346 I HA -0.030 4.140 4.170 0.000 0.000 0.290 346 I C 0.465 176.532 176.117 -0.085 0.000 1.203 346 I CA 0.961 62.182 61.300 -0.132 0.000 1.433 346 I CB 0.504 38.459 38.000 -0.075 0.000 1.354 346 I HN 0.611 nan 8.210 nan 0.000 0.579 347 E N 8.569 128.656 120.200 -0.189 0.000 2.263 347 E HA 0.609 4.959 4.350 0.000 0.000 0.268 347 E C -1.129 175.394 176.600 -0.128 0.000 0.884 347 E CA -0.789 55.557 56.400 -0.089 0.000 0.766 347 E CB 1.604 31.279 29.700 -0.043 0.000 1.196 347 E HN 0.611 nan 8.360 nan 0.000 0.416 348 M N 1.714 121.298 119.600 -0.027 0.000 2.683 348 M HA 0.623 5.103 4.480 0.000 0.000 0.274 348 M C -1.725 174.593 176.300 0.031 0.000 1.272 348 M CA -0.751 54.564 55.300 0.026 0.000 0.833 348 M CB 2.192 34.877 32.600 0.141 0.000 1.708 348 M HN 0.375 nan 8.290 nan 0.000 0.463 349 S N -0.363 115.352 115.700 0.025 0.000 2.549 349 S HA 0.671 5.141 4.470 0.000 0.000 0.280 349 S C 0.116 174.704 174.600 -0.018 0.000 1.109 349 S CA 0.169 58.359 58.200 -0.017 0.000 0.905 349 S CB 1.945 65.091 63.200 -0.090 0.000 1.081 349 S HN 0.903 nan 8.310 nan 0.000 0.477 350 T N -0.394 114.147 114.554 -0.022 0.000 2.990 350 T HA 0.083 4.433 4.350 0.000 0.000 0.249 350 T C 1.637 176.313 174.700 -0.040 0.000 1.039 350 T CA 0.870 62.961 62.100 -0.016 0.000 1.036 350 T CB -0.369 68.499 68.868 0.001 0.000 0.994 350 T HN 0.722 nan 8.240 nan 0.000 0.489 351 T N -1.347 113.167 114.554 -0.066 0.000 3.037 351 T HA 0.584 4.934 4.350 0.000 0.000 0.251 351 T C 1.128 175.661 174.700 -0.277 0.000 1.079 351 T CA 0.582 62.644 62.100 -0.064 0.000 1.067 351 T CB 0.220 69.120 68.868 0.054 0.000 0.948 351 T HN 0.589 nan 8.240 nan 0.000 0.496 352 G N 0.329 108.783 108.800 -0.577 0.000 2.696 352 G HA2 0.469 4.429 3.960 0.000 0.000 0.151 352 G HA3 0.469 4.429 3.960 0.000 0.000 0.151 352 G C -1.737 172.885 174.900 -0.464 0.000 1.197 352 G CA -0.514 44.073 45.100 -0.855 0.000 1.053 352 G HN 0.541 nan 8.290 nan 0.000 0.546 353 W N 0.123 121.142 121.300 -0.469 0.000 2.578 353 W HA 0.776 5.436 4.660 0.000 0.000 0.364 353 W C -0.413 176.043 176.519 -0.105 0.000 1.144 353 W CA -1.400 55.816 57.345 -0.215 0.000 1.242 353 W CB 1.062 30.385 29.460 -0.228 0.000 1.382 353 W HN 0.280 nan 8.180 nan 0.000 0.625 354 V N 3.607 123.586 119.914 0.107 0.000 2.488 354 V HA 0.620 4.740 4.120 0.000 0.000 0.277 354 V C 0.890 177.049 176.094 0.109 0.000 1.046 354 V CA 0.707 63.032 62.300 0.042 0.000 0.986 354 V CB -0.133 31.717 31.823 0.046 0.000 0.989 354 V HN 1.301 nan 8.190 nan 0.000 0.475 355 G N 5.166 113.983 108.800 0.028 0.000 2.795 355 G HA2 -0.191 3.769 3.960 0.000 0.000 0.664 355 G HA3 -0.191 3.769 3.960 0.000 0.000 0.664 355 G C 0.362 175.309 174.900 0.079 0.000 1.381 355 G CA 0.170 45.306 45.100 0.060 0.000 0.853 355 G HN 0.625 nan 8.290 nan 0.000 0.545 356 R N -0.807 119.718 120.500 0.041 0.000 2.062 356 R HA 0.108 4.449 4.340 0.000 0.000 0.231 356 R C 1.984 178.129 176.300 -0.258 0.000 1.136 356 R CA 2.232 58.265 56.100 -0.111 0.000 0.948 356 R CB -0.118 30.098 30.300 -0.139 0.000 0.845 356 R HN 0.497 nan 8.270 nan 0.000 0.430 357 F N -1.049 119.029 119.950 0.213 0.000 2.819 357 F HA 0.261 4.788 4.527 0.000 0.000 0.325 357 F C 0.641 176.452 175.800 0.019 0.000 1.041 357 F CA -0.464 57.597 58.000 0.102 0.000 1.184 357 F CB 0.659 39.705 39.000 0.078 0.000 1.019 357 F HN -0.111 nan 8.300 nan 0.000 0.590 358 R N -0.707 119.914 120.500 0.202 0.000 2.728 358 R HA 0.452 4.792 4.340 0.000 0.000 0.274 358 R C -3.338 173.012 176.300 0.084 0.000 1.030 358 R CA -1.882 54.270 56.100 0.087 0.000 0.876 358 R CB 0.372 30.679 30.300 0.011 0.000 1.259 358 R HN -0.357 nan 8.270 nan 0.000 0.468 359 P HA -0.027 nan 4.420 nan 0.000 0.265 359 P C -0.341 176.972 177.300 0.022 0.000 1.187 359 P CA 0.254 63.364 63.100 0.017 0.000 0.766 359 P CB 0.603 32.288 31.700 -0.026 0.000 0.820 360 S N 1.553 117.273 115.700 0.035 0.000 2.593 360 S HA 0.187 4.657 4.470 0.000 0.000 0.269 360 S C 0.022 174.624 174.600 0.003 0.000 1.334 360 S CA -0.754 57.480 58.200 0.057 0.000 1.015 360 S CB 0.192 63.447 63.200 0.092 0.000 0.912 360 S HN 0.497 nan 8.310 nan 0.000 0.541 361 E N 1.015 121.226 120.200 0.018 0.000 2.301 361 E HA 0.480 4.830 4.350 0.000 0.000 0.275 361 E C -2.668 173.859 176.600 -0.122 0.000 1.030 361 E CA -2.246 54.107 56.400 -0.079 0.000 0.852 361 E CB 0.079 29.731 29.700 -0.080 0.000 1.060 361 E HN 0.388 nan 8.360 nan 0.000 0.401 362 P HA 0.129 nan 4.420 nan 0.000 0.282 362 P C -0.998 176.135 177.300 -0.277 0.000 1.249 362 P CA -0.308 62.616 63.100 -0.293 0.000 0.806 362 P CB 0.780 31.988 31.700 -0.819 0.000 0.984 363 H N 2.000 121.079 119.070 0.016 0.000 2.589 363 H HA 0.331 4.887 4.556 0.000 0.000 0.335 363 H C -0.383 175.048 175.328 0.170 0.000 1.019 363 H CA -0.290 55.855 56.048 0.161 0.000 1.213 363 H CB 0.691 30.578 29.762 0.208 0.000 1.472 363 H HN 0.311 nan 8.280 nan 0.000 0.508 364 F N 1.429 121.577 119.950 0.330 0.000 2.399 364 F HA 0.141 4.668 4.527 0.000 0.000 0.328 364 F C 1.363 177.354 175.800 0.318 0.000 1.084 364 F CA -0.583 57.611 58.000 0.322 0.000 1.053 364 F CB 1.213 40.338 39.000 0.207 0.000 1.209 364 F HN 0.383 nan 8.300 nan 0.000 0.502 365 T N 0.154 114.999 114.554 0.486 0.000 2.868 365 T HA 0.139 4.489 4.350 0.000 0.000 0.292 365 T C 1.096 175.985 174.700 0.315 0.000 1.028 365 T CA -0.739 61.583 62.100 0.370 0.000 1.059 365 T CB 0.810 69.873 68.868 0.325 0.000 0.991 365 T HN 0.595 nan 8.240 nan 0.000 0.531 366 L N 1.255 122.620 121.223 0.236 0.000 2.051 366 L HA -0.150 4.190 4.340 0.000 0.000 0.214 366 L C 2.187 179.162 176.870 0.174 0.000 1.076 366 L CA 2.410 57.363 54.840 0.189 0.000 0.758 366 L CB -0.819 41.329 42.059 0.148 0.000 0.890 366 L HN 0.950 nan 8.230 nan 0.000 0.433 367 D N -1.230 119.273 120.400 0.173 0.000 2.347 367 D HA 0.030 4.670 4.640 0.000 0.000 0.215 367 D C 1.567 177.968 176.300 0.169 0.000 0.976 367 D CA 0.788 54.878 54.000 0.151 0.000 0.884 367 D CB -0.523 40.356 40.800 0.132 0.000 0.915 367 D HN 0.410 nan 8.370 nan 0.000 0.526 368 G N 0.665 109.605 108.800 0.234 0.000 2.176 368 G HA2 -0.317 3.643 3.960 0.000 0.000 0.252 368 G HA3 -0.317 3.643 3.960 0.000 0.000 0.252 368 G C 0.745 175.832 174.900 0.313 0.000 1.024 368 G CA 0.358 45.621 45.100 0.271 0.000 0.755 368 G HN 0.415 nan 8.290 nan 0.000 0.507 369 N N -0.318 118.549 118.700 0.279 0.000 2.282 369 N HA 0.132 4.872 4.740 0.000 0.000 0.185 369 N C 0.891 176.523 175.510 0.204 0.000 1.099 369 N CA 1.057 54.239 53.050 0.220 0.000 0.878 369 N CB 0.557 39.129 38.487 0.142 0.000 0.993 369 N HN 0.802 nan 8.380 nan 0.000 0.481 370 S N -0.034 115.807 115.700 0.235 0.000 2.618 370 S HA 0.768 5.238 4.470 0.000 0.000 0.277 370 S C -0.917 173.731 174.600 0.080 0.000 1.138 370 S CA -0.912 57.294 58.200 0.010 0.000 0.844 370 S CB 1.894 65.024 63.200 -0.117 0.000 1.127 370 S HN 0.144 nan 8.310 nan 0.000 0.474 371 F N -1.808 117.948 119.950 -0.323 0.000 2.668 371 F HA 0.814 5.341 4.527 0.000 0.000 0.309 371 F C -2.040 173.572 175.800 -0.314 0.000 1.117 371 F CA -1.552 56.186 58.000 -0.437 0.000 0.951 371 F CB 0.564 38.852 39.000 -1.188 0.000 1.323 371 F HN 0.590 nan 8.300 nan 0.000 0.451 372 Y N 1.200 121.648 120.300 0.247 0.000 2.420 372 Y HA 0.719 5.269 4.550 0.000 0.000 0.334 372 Y C -0.158 175.926 175.900 0.306 0.000 1.094 372 Y CA -0.852 57.399 58.100 0.252 0.000 1.126 372 Y CB 2.060 40.615 38.460 0.157 0.000 1.217 372 Y HN 0.777 nan 8.280 nan 0.000 0.462 373 K N 2.112 122.772 120.400 0.434 0.000 2.557 373 K HA 0.479 4.800 4.320 0.000 0.000 0.261 373 K C -1.929 174.845 176.600 0.290 0.000 0.932 373 K CA -0.496 55.987 56.287 0.327 0.000 0.829 373 K CB 1.390 34.025 32.500 0.224 0.000 1.358 373 K HN 0.717 nan 8.250 nan 0.000 0.430 374 I N 6.324 127.024 120.570 0.217 0.000 2.363 374 I HA 0.233 4.403 4.170 0.000 0.000 0.292 374 I C 0.232 176.455 176.117 0.176 0.000 1.075 374 I CA -0.359 61.045 61.300 0.174 0.000 1.333 374 I CB 0.098 38.171 38.000 0.121 0.000 1.415 374 I HN 0.518 nan 8.210 nan 0.000 0.502 375 I N 3.197 123.914 120.570 0.245 0.000 2.892 375 I HA 0.515 4.685 4.170 0.000 0.000 0.306 375 I C -0.058 176.181 176.117 0.203 0.000 1.078 375 I CA -0.539 60.897 61.300 0.226 0.000 1.032 375 I CB 2.255 40.420 38.000 0.276 0.000 1.229 375 I HN 0.415 nan 8.210 nan 0.000 0.435 376 S N 4.183 119.940 115.700 0.094 0.000 2.528 376 S HA 0.265 4.735 4.470 0.000 0.000 0.277 376 S C 0.061 174.694 174.600 0.057 0.000 1.297 376 S CA -0.550 57.645 58.200 -0.009 0.000 1.052 376 S CB -0.305 62.838 63.200 -0.096 0.000 0.917 376 S HN 0.924 nan 8.310 nan 0.000 0.492 377 N N 3.455 122.079 118.700 -0.126 0.000 2.374 377 N HA 0.146 4.886 4.740 0.000 0.000 0.284 377 N C 0.687 176.172 175.510 -0.042 0.000 1.280 377 N CA -0.612 52.332 53.050 -0.176 0.000 0.963 377 N CB 0.246 38.277 38.487 -0.760 0.000 1.141 377 N HN 0.759 nan 8.380 nan 0.000 0.565 378 E N -0.183 120.010 120.200 -0.012 0.000 2.435 378 E HA -0.097 4.253 4.350 0.000 0.000 0.195 378 E C 0.547 177.130 176.600 -0.028 0.000 1.029 378 E CA 0.756 57.154 56.400 -0.003 0.000 0.865 378 E CB -0.248 29.465 29.700 0.021 0.000 0.833 378 E HN 0.654 nan 8.360 nan 0.000 0.510 379 E N 0.912 121.093 120.200 -0.032 0.000 2.489 379 E HA 0.116 4.466 4.350 0.000 0.000 0.193 379 E C 0.928 177.522 176.600 -0.011 0.000 1.057 379 E CA 0.584 56.997 56.400 0.021 0.000 0.866 379 E CB 0.219 29.964 29.700 0.075 0.000 0.916 379 E HN 0.403 nan 8.360 nan 0.000 0.500 380 G N 1.051 109.786 108.800 -0.108 0.000 2.130 380 G HA2 -0.265 3.695 3.960 0.000 0.000 0.216 380 G HA3 -0.265 3.695 3.960 0.000 0.000 0.216 380 G C -0.463 174.143 174.900 -0.491 0.000 0.999 380 G CA -0.151 44.772 45.100 -0.296 0.000 0.686 380 G HN 0.228 nan 8.290 nan 0.000 0.515 381 Y N -0.312 119.858 120.300 -0.217 0.000 2.377 381 Y HA 0.661 5.211 4.550 0.000 0.000 0.339 381 Y C 1.030 176.769 175.900 -0.268 0.000 1.011 381 Y CA -0.979 56.977 58.100 -0.238 0.000 1.093 381 Y CB 1.249 39.585 38.460 -0.207 0.000 1.201 381 Y HN 0.089 nan 8.280 nan 0.000 0.455 382 R N 3.558 123.926 120.500 -0.219 0.000 2.242 382 R HA 0.240 4.580 4.340 0.000 0.000 0.334 382 R C -0.823 175.208 176.300 -0.449 0.000 1.071 382 R CA 0.072 56.032 56.100 -0.233 0.000 0.922 382 R CB -0.079 30.124 30.300 -0.162 0.000 1.023 382 R HN 0.642 nan 8.270 nan 0.000 0.458 383 H N 1.939 120.884 119.070 -0.208 0.000 2.894 383 H HA 0.324 4.880 4.556 0.000 0.000 0.368 383 H C -0.072 175.250 175.328 -0.010 0.000 1.181 383 H CA -0.980 54.915 56.048 -0.254 0.000 1.146 383 H CB 1.737 31.183 29.762 -0.525 0.000 1.839 383 H HN 0.308 nan 8.280 nan 0.000 0.557 384 I N 1.436 122.058 120.570 0.086 0.000 2.452 384 I HA 0.002 4.172 4.170 0.000 0.000 0.287 384 I C 0.474 176.740 176.117 0.250 0.000 1.079 384 I CA 0.256 61.624 61.300 0.114 0.000 1.387 384 I CB 0.246 38.196 38.000 -0.082 0.000 1.404 384 I HN 0.168 nan 8.210 nan 0.000 0.522 385 c N 7.133 125.885 118.600 0.254 0.000 2.454 385 c HA 0.484 5.054 4.570 0.000 0.000 0.336 385 c C -0.561 173.524 174.090 -0.008 0.000 1.189 385 c CA -0.452 55.871 56.329 -0.009 0.000 1.877 385 c CB 1.159 43.512 42.510 -0.261 0.000 2.348 385 c HN 0.649 nan 8.230 nan 0.000 0.508 386 Y N 3.852 123.873 120.300 -0.466 0.000 2.328 386 Y HA 0.685 5.235 4.550 0.000 0.000 0.333 386 Y C -1.205 174.232 175.900 -0.772 0.000 0.958 386 Y CA -1.153 56.614 58.100 -0.556 0.000 1.167 386 Y CB 0.371 38.608 38.460 -0.372 0.000 1.151 386 Y HN 0.613 nan 8.280 nan 0.000 0.470 387 F N 4.065 123.224 119.950 -1.318 0.000 2.492 387 F HA 0.525 5.052 4.527 0.000 0.000 0.327 387 F C -0.269 174.805 175.800 -1.211 0.000 1.079 387 F CA -0.789 56.424 58.000 -1.312 0.000 0.967 387 F CB 1.640 39.458 39.000 -1.969 0.000 1.169 387 F HN 0.296 nan 8.300 nan 0.000 0.472 388 Q N 3.211 122.690 119.800 -0.535 0.000 2.293 388 Q HA 0.343 4.683 4.340 0.000 0.000 0.261 388 Q C 1.267 177.257 176.000 -0.018 0.000 0.960 388 Q CA -0.432 55.197 55.803 -0.289 0.000 0.882 388 Q CB 1.902 30.515 28.738 -0.208 0.000 1.275 388 Q HN 0.834 nan 8.270 nan 0.000 0.445 389 I N -0.916 119.712 120.570 0.097 0.000 2.181 389 I HA -0.354 3.816 4.170 0.000 0.000 0.247 389 I C 0.358 176.633 176.117 0.263 0.000 1.081 389 I CA 2.224 63.691 61.300 0.278 0.000 1.340 389 I CB -0.258 37.893 38.000 0.251 0.000 1.036 389 I HN 0.416 nan 8.210 nan 0.000 0.417 390 D N -0.351 120.123 120.400 0.123 0.000 2.454 390 D HA 0.145 4.785 4.640 0.000 0.000 0.214 390 D C 0.563 176.869 176.300 0.011 0.000 1.088 390 D CA -0.082 53.950 54.000 0.054 0.000 0.855 390 D CB -0.064 40.754 40.800 0.030 0.000 1.025 390 D HN 0.270 nan 8.370 nan 0.000 0.502 391 K N 0.653 121.062 120.400 0.014 0.000 2.322 391 K HA 0.192 4.512 4.320 0.000 0.000 0.283 391 K C 0.710 177.313 176.600 0.005 0.000 1.042 391 K CA -0.266 56.008 56.287 -0.023 0.000 0.958 391 K CB 1.286 33.746 32.500 -0.067 0.000 0.984 391 K HN -0.232 nan 8.250 nan 0.000 0.473 392 K N 1.381 121.759 120.400 -0.037 0.000 2.305 392 K HA 0.018 4.339 4.320 0.000 0.000 0.199 392 K C -0.081 176.519 176.600 -0.000 0.000 1.047 392 K CA 1.007 57.270 56.287 -0.040 0.000 0.976 392 K CB 0.193 32.654 32.500 -0.065 0.000 0.765 392 K HN 0.525 nan 8.250 nan 0.000 0.474 393 D N -1.277 119.077 120.400 -0.076 0.000 2.478 393 D HA 0.256 4.896 4.640 0.000 0.000 0.263 393 D C -0.360 175.717 176.300 -0.372 0.000 1.153 393 D CA -0.475 53.423 54.000 -0.171 0.000 1.038 393 D CB 1.275 41.973 40.800 -0.170 0.000 1.120 393 D HN 0.267 nan 8.370 nan 0.000 0.564 394 c N -1.917 116.323 118.600 -0.600 0.000 3.154 394 c HA 0.852 5.422 4.570 0.000 0.000 0.312 394 c C -0.582 173.091 174.090 -0.696 0.000 1.349 394 c CA -0.620 55.141 56.329 -0.946 0.000 1.518 394 c CB 1.286 42.602 42.510 -1.991 0.000 1.934 394 c HN 0.470 nan 8.230 nan 0.000 0.462 395 T N 1.990 116.197 114.554 -0.579 0.000 2.786 395 T HA 0.526 4.876 4.350 0.000 0.000 0.283 395 T C -0.703 173.815 174.700 -0.303 0.000 0.992 395 T CA 0.099 62.006 62.100 -0.322 0.000 0.954 395 T CB 0.413 69.256 68.868 -0.042 0.000 0.934 395 T HN 0.469 nan 8.240 nan 0.000 0.440 396 F N 3.154 123.020 119.950 -0.139 0.000 2.538 396 F HA 0.234 4.761 4.527 0.000 0.000 0.371 396 F C 1.582 177.271 175.800 -0.184 0.000 1.087 396 F CA -1.139 56.767 58.000 -0.156 0.000 1.250 396 F CB 0.284 39.181 39.000 -0.172 0.000 1.110 396 F HN 0.585 nan 8.300 nan 0.000 0.570 397 I N -0.469 120.060 120.570 -0.070 0.000 4.018 397 I HA 0.251 4.421 4.170 0.000 0.000 0.337 397 I C 0.119 176.081 176.117 -0.258 0.000 1.327 397 I CA 0.107 61.160 61.300 -0.411 0.000 1.100 397 I CB 0.063 37.525 38.000 -0.896 0.000 1.025 397 I HN 0.481 nan 8.210 nan 0.000 0.396 398 T N -0.239 114.209 114.554 -0.177 0.000 2.909 398 T HA 0.731 5.081 4.350 0.000 0.000 0.299 398 T C -0.706 173.584 174.700 -0.683 0.000 1.073 398 T CA -0.703 61.252 62.100 -0.243 0.000 0.999 398 T CB 2.566 71.380 68.868 -0.090 0.000 1.098 398 T HN 0.422 nan 8.240 nan 0.000 0.477 399 K N 0.400 120.311 120.400 -0.815 0.000 2.469 399 K HA 0.991 5.311 4.320 0.000 0.000 0.268 399 K C -0.099 175.881 176.600 -1.033 0.000 1.027 399 K CA -0.918 54.615 56.287 -1.256 0.000 0.893 399 K CB 1.471 33.580 32.500 -0.652 0.000 1.460 399 K HN 1.373 nan 8.250 nan 0.000 0.449 400 G N -0.738 107.514 108.800 -0.912 0.000 2.359 400 G HA2 0.117 4.077 3.960 0.000 0.000 0.314 400 G HA3 0.117 4.077 3.960 0.000 0.000 0.314 400 G C -1.213 173.182 174.900 -0.840 0.000 1.364 400 G CA -0.824 43.891 45.100 -0.642 0.000 0.978 400 G HN 0.462 nan 8.290 nan 0.000 0.615 401 T N 2.511 116.771 114.554 -0.490 0.000 3.783 401 T HA 0.518 4.868 4.350 0.000 0.000 0.262 401 T C -0.415 174.161 174.700 -0.207 0.000 1.381 401 T CA 0.532 62.223 62.100 -0.682 0.000 1.155 401 T CB -1.097 67.598 68.868 -0.290 0.000 1.256 401 T HN 0.780 nan 8.240 nan 0.000 0.807 402 W N -0.071 121.051 121.300 -0.296 0.000 3.064 402 W HA 0.480 5.140 4.660 0.000 0.000 0.328 402 W C -1.459 175.027 176.519 -0.056 0.000 1.210 402 W CA -0.957 56.362 57.345 -0.043 0.000 1.178 402 W CB 0.567 29.988 29.460 -0.066 0.000 1.416 402 W HN 0.000 nan 8.180 nan 0.000 0.568 403 E N 1.020 121.334 120.200 0.190 0.000 2.221 403 E HA 0.476 4.826 4.350 0.000 0.000 0.268 403 E C -0.749 175.901 176.600 0.083 0.000 0.933 403 E CA -1.217 55.126 56.400 -0.096 0.000 0.809 403 E CB 3.201 32.913 29.700 0.020 0.000 1.190 403 E HN 0.186 nan 8.360 nan 0.000 0.406 404 V N 3.863 123.706 119.914 -0.117 0.000 2.488 404 V HA -0.017 4.103 4.120 0.000 0.000 0.277 404 V C 1.263 177.435 176.094 0.131 0.000 1.046 404 V CA -0.097 62.259 62.300 0.094 0.000 0.986 404 V CB 0.580 32.373 31.823 -0.050 0.000 0.989 404 V HN 0.690 nan 8.190 nan 0.000 0.475 405 I N 3.161 123.839 120.570 0.180 0.000 2.406 405 I HA 0.211 4.381 4.170 0.000 0.000 0.249 405 I C 1.145 177.372 176.117 0.184 0.000 1.122 405 I CA 1.188 62.588 61.300 0.167 0.000 1.431 405 I CB -0.912 37.125 38.000 0.061 0.000 1.087 405 I HN 0.794 nan 8.210 nan 0.000 0.424 406 G N 0.341 109.255 108.800 0.189 0.000 2.556 406 G HA2 0.475 4.435 3.960 0.000 0.000 0.294 406 G HA3 0.475 4.435 3.960 0.000 0.000 0.294 406 G C -1.278 173.729 174.900 0.179 0.000 1.516 406 G CA -0.636 44.577 45.100 0.189 0.000 0.824 406 G HN -0.046 nan 8.290 nan 0.000 0.535 407 I N 1.696 122.333 120.570 0.111 0.000 2.352 407 I HA 0.250 4.420 4.170 0.000 0.000 0.290 407 I C 0.854 176.907 176.117 -0.107 0.000 1.036 407 I CA -0.523 60.741 61.300 -0.060 0.000 1.336 407 I CB 1.631 39.418 38.000 -0.356 0.000 1.407 407 I HN 0.504 nan 8.210 nan 0.000 0.497 408 E N 4.883 125.067 120.200 -0.026 0.000 2.162 408 E HA 0.309 4.659 4.350 0.000 0.000 0.193 408 E C 0.210 176.721 176.600 -0.149 0.000 0.953 408 E CA 0.331 56.742 56.400 0.020 0.000 0.849 408 E CB 0.541 30.338 29.700 0.162 0.000 0.810 408 E HN 0.670 nan 8.360 nan 0.000 0.470 409 A N 0.641 123.284 122.820 -0.295 0.000 2.594 409 A HA 0.626 4.946 4.320 0.000 0.000 0.295 409 A C -1.672 175.822 177.584 -0.150 0.000 1.071 409 A CA -0.574 51.225 52.037 -0.396 0.000 0.685 409 A CB 1.555 19.838 19.000 -1.194 0.000 1.285 409 A HN 0.082 nan 8.150 nan 0.000 0.405 410 L N 2.881 124.064 121.223 -0.067 0.000 2.457 410 L HA 0.552 4.892 4.340 0.000 0.000 0.266 410 L C 0.201 177.106 176.870 0.059 0.000 0.979 410 L CA -0.027 54.819 54.840 0.010 0.000 0.857 410 L CB 1.418 43.524 42.059 0.078 0.000 1.213 410 L HN 1.155 nan 8.230 nan 0.000 0.418 411 T N -0.246 114.360 114.554 0.086 0.000 2.893 411 T HA 0.237 4.588 4.350 0.000 0.000 0.279 411 T C 1.384 176.134 174.700 0.083 0.000 0.991 411 T CA 0.154 62.317 62.100 0.106 0.000 0.950 411 T CB 1.346 70.315 68.868 0.169 0.000 1.223 411 T HN 0.579 nan 8.240 nan 0.000 0.585 412 S N -0.036 115.711 115.700 0.078 0.000 2.447 412 S HA -0.082 4.388 4.470 0.000 0.000 0.233 412 S C 0.792 175.394 174.600 0.002 0.000 1.006 412 S CA 1.393 59.627 58.200 0.057 0.000 0.957 412 S CB -0.758 62.476 63.200 0.056 0.000 0.773 412 S HN 0.929 nan 8.310 nan 0.000 0.507 413 D N -2.236 118.133 120.400 -0.051 0.000 2.497 413 D HA 0.223 4.863 4.640 0.000 0.000 0.256 413 D C -0.512 175.499 176.300 -0.482 0.000 1.273 413 D CA -0.440 53.425 54.000 -0.225 0.000 0.812 413 D CB -0.405 40.238 40.800 -0.261 0.000 1.190 413 D HN 0.497 nan 8.370 nan 0.000 0.524 414 Y N 0.279 120.517 120.300 -0.103 0.000 2.462 414 Y HA 0.542 5.093 4.550 0.000 0.000 0.346 414 Y C -0.957 174.752 175.900 -0.318 0.000 0.976 414 Y CA -1.306 56.641 58.100 -0.255 0.000 1.044 414 Y CB 2.693 40.937 38.460 -0.361 0.000 1.230 414 Y HN -0.077 nan 8.280 nan 0.000 0.455 415 L N 4.002 125.088 121.223 -0.228 0.000 2.333 415 L HA 0.579 4.920 4.340 0.000 0.000 0.280 415 L C -1.797 174.912 176.870 -0.269 0.000 1.004 415 L CA -0.551 54.127 54.840 -0.270 0.000 0.820 415 L CB 0.783 42.589 42.059 -0.421 0.000 1.247 415 L HN 0.590 nan 8.230 nan 0.000 0.416 416 Y N 4.714 124.940 120.300 -0.123 0.000 2.361 416 Y HA 0.575 5.125 4.550 0.000 0.000 0.332 416 Y C -0.430 175.480 175.900 0.016 0.000 1.101 416 Y CA -0.317 57.718 58.100 -0.107 0.000 1.137 416 Y CB 1.405 39.695 38.460 -0.283 0.000 1.207 416 Y HN 0.542 nan 8.280 nan 0.000 0.463 417 Y N 0.344 120.693 120.300 0.081 0.000 2.638 417 Y HA 0.752 5.302 4.550 0.000 0.000 0.335 417 Y C -1.870 174.095 175.900 0.109 0.000 1.155 417 Y CA -1.757 56.380 58.100 0.061 0.000 1.046 417 Y CB 1.080 39.551 38.460 0.019 0.000 1.303 417 Y HN 0.289 nan 8.280 nan 0.000 0.460 418 I N 3.220 123.901 120.570 0.186 0.000 2.412 418 I HA 0.587 4.757 4.170 0.000 0.000 0.296 418 I C -0.132 176.109 176.117 0.206 0.000 0.987 418 I CA -0.348 61.010 61.300 0.098 0.000 1.180 418 I CB 1.531 39.575 38.000 0.072 0.000 1.340 418 I HN 0.865 nan 8.210 nan 0.000 0.455 419 S N 3.921 119.692 115.700 0.118 0.000 2.618 419 S HA 0.443 4.913 4.470 0.000 0.000 0.277 419 S C -0.325 174.277 174.600 0.004 0.000 1.138 419 S CA -0.829 57.442 58.200 0.119 0.000 0.844 419 S CB 2.010 65.291 63.200 0.136 0.000 1.127 419 S HN 0.617 nan 8.310 nan 0.000 0.474 420 N N 0.038 118.755 118.700 0.028 0.000 2.451 420 N HA 0.138 4.878 4.740 0.000 0.000 0.264 420 N C 0.444 175.912 175.510 -0.071 0.000 1.167 420 N CA -0.341 52.690 53.050 -0.031 0.000 0.898 420 N CB 0.327 38.794 38.487 -0.034 0.000 1.176 420 N HN 0.846 nan 8.380 nan 0.000 0.507 421 E N -0.084 119.925 120.200 -0.319 0.000 2.033 421 E HA -0.154 4.196 4.350 0.000 0.000 0.189 421 E C -0.294 176.137 176.600 -0.281 0.000 0.979 421 E CA 0.028 55.995 56.400 -0.722 0.000 0.802 421 E CB -0.109 28.508 29.700 -1.804 0.000 0.763 421 E HN 0.342 nan 8.360 nan 0.000 0.449 422 Y N 1.837 122.027 120.300 -0.183 0.000 2.987 422 Y HA -0.173 4.377 4.550 0.000 0.000 0.339 422 Y C 0.609 176.471 175.900 -0.064 0.000 1.272 422 Y CA 0.934 58.994 58.100 -0.066 0.000 1.562 422 Y CB 0.264 38.719 38.460 -0.008 0.000 1.253 422 Y HN 0.155 nan 8.280 nan 0.000 0.604 423 K N 3.079 123.146 120.400 -0.554 0.000 3.445 423 K HA -0.240 4.080 4.320 0.000 0.000 0.316 423 K C 0.809 177.330 176.600 -0.133 0.000 1.278 423 K CA 1.582 57.622 56.287 -0.412 0.000 0.976 423 K CB -1.661 30.561 32.500 -0.464 0.000 1.238 423 K HN 1.495 nan 8.250 nan 0.000 0.430 424 G N 0.095 108.835 108.800 -0.100 0.000 2.179 424 G HA2 -0.343 3.617 3.960 0.000 0.000 0.257 424 G HA3 -0.343 3.617 3.960 0.000 0.000 0.257 424 G C -0.013 174.895 174.900 0.013 0.000 1.010 424 G CA 0.769 45.863 45.100 -0.010 0.000 0.736 424 G HN 0.466 nan 8.290 nan 0.000 0.513 425 M N -1.830 117.706 119.600 -0.107 0.000 2.149 425 M HA 0.557 5.037 4.480 0.000 0.000 0.342 425 M C -1.857 174.200 176.300 -0.406 0.000 1.068 425 M CA -2.342 52.730 55.300 -0.381 0.000 0.991 425 M CB 1.966 34.332 32.600 -0.391 0.000 1.596 425 M HN -0.145 nan 8.290 nan 0.000 0.439 426 P HA -0.019 nan 4.420 nan 0.000 0.219 426 P C 1.456 178.584 177.300 -0.288 0.000 1.150 426 P CA 1.317 64.233 63.100 -0.306 0.000 0.814 426 P CB 0.085 31.608 31.700 -0.294 0.000 0.787 427 G N -0.819 107.737 108.800 -0.405 0.000 2.848 427 G HA2 0.145 4.105 3.960 0.000 0.000 0.208 427 G HA3 0.145 4.105 3.960 0.000 0.000 0.208 427 G C 0.775 175.637 174.900 -0.064 0.000 1.152 427 G CA 0.230 45.223 45.100 -0.178 0.000 0.789 427 G HN 0.395 nan 8.290 nan 0.000 0.531 428 G N -0.707 107.999 108.800 -0.157 0.000 2.511 428 G HA2 0.606 4.566 3.960 0.000 0.000 0.316 428 G HA3 0.606 4.566 3.960 0.000 0.000 0.316 428 G C -0.814 173.930 174.900 -0.260 0.000 1.210 428 G CA -0.934 44.100 45.100 -0.111 0.000 0.969 428 G HN 0.252 nan 8.290 nan 0.000 0.492 429 R N 0.155 120.501 120.500 -0.257 0.000 2.658 429 R HA 0.299 4.639 4.340 0.000 0.000 0.287 429 R C -1.554 174.696 176.300 -0.084 0.000 1.209 429 R CA -0.496 55.391 56.100 -0.354 0.000 1.046 429 R CB 0.690 30.385 30.300 -1.010 0.000 1.247 429 R HN 0.567 nan 8.270 nan 0.000 0.405 430 N N 2.942 121.637 118.700 -0.009 0.000 2.242 430 N HA 0.361 5.101 4.740 0.000 0.000 0.292 430 N C -1.671 173.793 175.510 -0.076 0.000 1.125 430 N CA -0.743 52.289 53.050 -0.029 0.000 0.783 430 N CB 2.355 40.795 38.487 -0.078 0.000 1.558 430 N HN 0.385 nan 8.380 nan 0.000 0.472 431 L N 2.735 123.780 121.223 -0.298 0.000 2.281 431 L HA 0.404 4.744 4.340 0.000 0.000 0.285 431 L C -1.276 175.312 176.870 -0.469 0.000 1.074 431 L CA 0.120 54.777 54.840 -0.305 0.000 0.817 431 L CB -0.355 41.498 42.059 -0.344 0.000 1.168 431 L HN 0.392 nan 8.230 nan 0.000 0.434 432 Y N 4.013 123.953 120.300 -0.600 0.000 2.549 432 Y HA 0.608 5.158 4.550 0.000 0.000 0.339 432 Y C -0.203 175.381 175.900 -0.527 0.000 1.053 432 Y CA -0.729 56.984 58.100 -0.646 0.000 1.105 432 Y CB 1.626 39.500 38.460 -0.977 0.000 1.258 432 Y HN 0.552 nan 8.280 nan 0.000 0.478 433 K N 2.296 122.567 120.400 -0.214 0.000 2.422 433 K HA 0.749 5.069 4.320 0.000 0.000 0.251 433 K C -1.945 174.632 176.600 -0.039 0.000 0.933 433 K CA -0.739 55.374 56.287 -0.290 0.000 0.798 433 K CB 2.583 34.691 32.500 -0.653 0.000 1.238 433 K HN 0.772 nan 8.250 nan 0.000 0.428 434 I N 1.871 122.466 120.570 0.042 0.000 2.509 434 I HA 0.194 4.364 4.170 0.000 0.000 0.293 434 I C -0.875 175.318 176.117 0.128 0.000 1.020 434 I CA -0.801 60.579 61.300 0.133 0.000 1.088 434 I CB 2.155 40.225 38.000 0.117 0.000 1.267 434 I HN 0.865 nan 8.210 nan 0.000 0.430 435 Q N 5.174 125.038 119.800 0.108 0.000 2.296 435 Q HA 0.112 4.452 4.340 0.000 0.000 0.263 435 Q C 0.206 176.148 176.000 -0.097 0.000 1.026 435 Q CA -0.465 55.238 55.803 -0.167 0.000 0.912 435 Q CB 1.185 29.866 28.738 -0.094 0.000 1.198 435 Q HN 0.758 nan 8.270 nan 0.000 0.407 436 L N 2.895 123.990 121.223 -0.214 0.000 2.083 436 L HA -0.179 4.161 4.340 0.000 0.000 0.209 436 L C 2.179 179.008 176.870 -0.069 0.000 1.083 436 L CA 1.975 56.783 54.840 -0.053 0.000 0.752 436 L CB -0.842 41.151 42.059 -0.110 0.000 0.899 436 L HN 0.770 nan 8.230 nan 0.000 0.433 437 S N -2.369 113.230 115.700 -0.169 0.000 2.561 437 S HA 0.005 4.475 4.470 0.000 0.000 0.225 437 S C 0.440 174.910 174.600 -0.217 0.000 0.977 437 S CA 0.225 58.313 58.200 -0.187 0.000 0.926 437 S CB -0.049 63.057 63.200 -0.157 0.000 0.769 437 S HN 0.411 nan 8.310 nan 0.000 0.533 438 D N -0.375 119.919 120.400 -0.178 0.000 2.354 438 D HA 0.221 4.861 4.640 0.000 0.000 0.230 438 D C -0.518 175.797 176.300 0.025 0.000 1.361 438 D CA -0.568 53.348 54.000 -0.140 0.000 0.992 438 D CB 0.231 40.984 40.800 -0.078 0.000 1.409 438 D HN -0.073 nan 8.370 nan 0.000 0.573 439 Y N 1.079 121.355 120.300 -0.041 0.000 2.574 439 Y HA -0.051 4.499 4.550 0.000 0.000 0.294 439 Y C 2.427 178.330 175.900 0.006 0.000 1.142 439 Y CA 1.346 59.431 58.100 -0.024 0.000 1.314 439 Y CB -0.793 37.653 38.460 -0.025 0.000 0.991 439 Y HN 0.419 nan 8.280 nan 0.000 0.555 440 T N -3.082 111.556 114.554 0.139 0.000 3.067 440 T HA 0.010 4.360 4.350 0.000 0.000 0.261 440 T C 0.795 175.552 174.700 0.094 0.000 1.110 440 T CA 0.120 62.279 62.100 0.099 0.000 1.113 440 T CB -0.007 68.896 68.868 0.058 0.000 0.917 440 T HN -0.065 nan 8.240 nan 0.000 0.499 441 K N 2.884 123.341 120.400 0.095 0.000 2.142 441 K HA 0.396 4.716 4.320 0.000 0.000 0.250 441 K C -0.951 175.723 176.600 0.123 0.000 1.148 441 K CA -0.128 56.214 56.287 0.093 0.000 1.040 441 K CB 0.659 33.207 32.500 0.081 0.000 1.569 441 K HN 0.216 nan 8.250 nan 0.000 0.361 442 V N 2.477 122.464 119.914 0.122 0.000 2.334 442 V HA 0.192 4.312 4.120 0.000 0.000 0.281 442 V C 0.207 176.363 176.094 0.103 0.000 1.016 442 V CA -0.718 61.672 62.300 0.151 0.000 0.832 442 V CB 1.407 33.356 31.823 0.210 0.000 0.999 442 V HN 0.461 nan 8.190 nan 0.000 0.439 443 T N 3.442 118.017 114.554 0.035 0.000 2.829 443 T HA 0.247 4.597 4.350 0.000 0.000 0.282 443 T C -0.165 174.414 174.700 -0.202 0.000 0.990 443 T CA -0.279 61.779 62.100 -0.069 0.000 1.028 443 T CB 1.346 70.149 68.868 -0.107 0.000 0.951 443 T HN 0.757 nan 8.240 nan 0.000 0.460 444 C N 5.206 124.297 119.300 -0.348 0.000 2.281 444 C HA 0.400 4.860 4.460 0.000 0.000 0.336 444 C C 1.371 176.007 174.990 -0.591 0.000 1.217 444 C CA -0.691 57.858 59.018 -0.780 0.000 1.730 444 C CB -1.996 25.185 27.740 -0.933 0.000 2.338 444 C HN 0.864 nan 8.230 nan 0.000 0.521 445 L N 4.900 125.777 121.223 -0.577 0.000 2.552 445 L HA 0.086 4.426 4.340 0.000 0.000 0.227 445 L C 2.186 178.758 176.870 -0.497 0.000 1.146 445 L CA 1.582 56.167 54.840 -0.426 0.000 0.858 445 L CB -0.182 41.665 42.059 -0.353 0.000 0.969 445 L HN 0.921 nan 8.230 nan 0.000 0.451 446 S N -5.180 110.129 115.700 -0.653 0.000 2.648 446 S HA -0.008 4.462 4.470 0.000 0.000 0.270 446 S C 1.838 176.071 174.600 -0.612 0.000 1.080 446 S CA 0.156 57.885 58.200 -0.785 0.000 1.159 446 S CB -0.628 61.740 63.200 -1.387 0.000 1.091 446 S HN 0.234 nan 8.310 nan 0.000 0.605 447 C N 2.725 121.624 119.300 -0.668 0.000 2.398 447 C HA -0.020 4.440 4.460 0.000 0.000 0.276 447 C C 2.663 177.356 174.990 -0.496 0.000 1.222 447 C CA 1.289 59.813 59.018 -0.823 0.000 1.746 447 C CB -0.941 25.995 27.740 -1.340 0.000 2.039 447 C HN 0.581 nan 8.230 nan 0.000 0.470 448 E N 0.550 120.533 120.200 -0.361 0.000 2.371 448 E HA 0.073 4.423 4.350 0.000 0.000 0.194 448 E C 2.114 178.658 176.600 -0.093 0.000 1.012 448 E CA 0.284 56.579 56.400 -0.175 0.000 0.860 448 E CB -0.440 29.176 29.700 -0.140 0.000 0.811 448 E HN 0.645 nan 8.360 nan 0.000 0.502 449 L N 0.509 121.669 121.223 -0.105 0.000 2.263 449 L HA -0.138 4.202 4.340 0.000 0.000 0.216 449 L C 0.781 177.665 176.870 0.023 0.000 1.111 449 L CA 0.983 55.806 54.840 -0.028 0.000 0.773 449 L CB -0.269 41.782 42.059 -0.013 0.000 0.906 449 L HN 0.115 nan 8.230 nan 0.000 0.439 450 N N -2.019 116.704 118.700 0.038 0.000 3.906 450 N HA 0.032 4.772 4.740 0.000 0.000 0.132 450 N C -2.280 173.264 175.510 0.055 0.000 1.338 450 N CA -0.515 52.561 53.050 0.043 0.000 1.425 450 N CB 0.247 38.761 38.487 0.046 0.000 1.713 450 N HN -0.229 nan 8.380 nan 0.000 0.721 451 P HA -0.016 nan 4.420 nan 0.000 0.220 451 P C 1.011 178.361 177.300 0.083 0.000 1.148 451 P CA 0.995 64.157 63.100 0.103 0.000 0.803 451 P CB 0.546 32.326 31.700 0.134 0.000 0.782 452 E N -0.753 119.477 120.200 0.050 0.000 2.106 452 E HA -0.140 4.210 4.350 0.000 0.000 0.192 452 E C 2.174 178.781 176.600 0.012 0.000 0.984 452 E CA 0.743 57.162 56.400 0.032 0.000 0.806 452 E CB -0.084 29.627 29.700 0.018 0.000 0.750 452 E HN 0.133 nan 8.360 nan 0.000 0.458 453 R N -0.648 119.849 120.500 -0.004 0.000 2.237 453 R HA 0.114 4.454 4.340 0.000 0.000 0.195 453 R C -0.273 175.985 176.300 -0.071 0.000 0.956 453 R CA 0.267 56.342 56.100 -0.042 0.000 1.029 453 R CB 0.618 30.884 30.300 -0.056 0.000 0.972 453 R HN 0.046 nan 8.270 nan 0.000 0.493 454 c N 0.855 119.422 118.600 -0.054 0.000 2.383 454 c HA 0.398 4.968 4.570 0.000 0.000 0.330 454 c C 0.012 174.067 174.090 -0.059 0.000 1.168 454 c CA -0.663 55.569 56.329 -0.163 0.000 1.374 454 c CB 1.405 43.811 42.510 -0.174 0.000 2.014 454 c HN 0.495 nan 8.230 nan 0.000 0.439 455 Q N 0.483 120.241 119.800 -0.070 0.000 2.081 455 Q HA 0.190 4.530 4.340 0.000 0.000 0.220 455 Q C -0.872 175.162 176.000 0.055 0.000 0.775 455 Q CA 0.035 55.880 55.803 0.069 0.000 0.983 455 Q CB 1.349 30.156 28.738 0.115 0.000 1.188 455 Q HN 0.762 nan 8.270 nan 0.000 0.458 456 Y N 0.637 120.805 120.300 -0.220 0.000 2.488 456 Y HA 0.386 4.936 4.550 0.000 0.000 0.330 456 Y C -1.529 174.206 175.900 -0.275 0.000 1.013 456 Y CA -1.155 56.846 58.100 -0.164 0.000 1.304 456 Y CB 0.627 39.008 38.460 -0.132 0.000 1.098 456 Y HN -0.064 nan 8.280 nan 0.000 0.498 457 Y N 2.028 122.296 120.300 -0.054 0.000 2.446 457 Y HA 0.653 5.203 4.550 0.000 0.000 0.338 457 Y C 0.297 176.177 175.900 -0.033 0.000 1.055 457 Y CA -0.544 57.530 58.100 -0.042 0.000 1.101 457 Y CB 2.115 40.511 38.460 -0.106 0.000 1.221 457 Y HN 0.503 nan 8.280 nan 0.000 0.460 458 S N 0.732 116.539 115.700 0.178 0.000 2.671 458 S HA 0.858 5.328 4.470 0.000 0.000 0.299 458 S C -1.468 173.205 174.600 0.121 0.000 1.116 458 S CA -0.872 57.410 58.200 0.136 0.000 0.912 458 S CB 1.950 65.237 63.200 0.145 0.000 1.130 458 S HN 0.540 nan 8.310 nan 0.000 0.501 459 V N 0.428 120.409 119.914 0.112 0.000 2.925 459 V HA 0.835 4.955 4.120 0.000 0.000 0.311 459 V C -1.162 175.015 176.094 0.137 0.000 1.104 459 V CA -0.327 62.011 62.300 0.062 0.000 0.954 459 V CB 2.310 34.092 31.823 -0.069 0.000 1.022 459 V HN 1.140 nan 8.190 nan 0.000 0.427 460 S N 5.513 121.292 115.700 0.130 0.000 2.733 460 S HA 0.651 5.121 4.470 0.000 0.000 0.307 460 S C -1.005 173.771 174.600 0.294 0.000 1.127 460 S CA -0.405 57.972 58.200 0.295 0.000 1.097 460 S CB 0.282 63.702 63.200 0.368 0.000 1.003 460 S HN 0.484 nan 8.310 nan 0.000 0.477 461 F N 2.948 122.953 119.950 0.093 0.000 2.380 461 F HA 0.435 4.962 4.527 0.000 0.000 0.325 461 F C 1.473 176.795 175.800 -0.797 0.000 1.136 461 F CA -0.133 57.748 58.000 -0.198 0.000 1.171 461 F CB 1.117 39.985 39.000 -0.220 0.000 1.230 461 F HN 0.641 nan 8.300 nan 0.000 0.554 462 S N 1.387 116.469 115.700 -1.031 0.000 2.634 462 S HA 0.186 4.656 4.470 0.000 0.000 0.261 462 S C 1.133 175.461 174.600 -0.453 0.000 1.271 462 S CA -0.769 56.583 58.200 -1.414 0.000 0.985 462 S CB 0.893 63.343 63.200 -1.249 0.000 0.968 462 S HN 0.575 nan 8.310 nan 0.000 0.568 463 K N 0.676 120.932 120.400 -0.241 0.000 2.160 463 K HA -0.089 4.231 4.320 0.000 0.000 0.206 463 K C 0.788 177.357 176.600 -0.051 0.000 1.047 463 K CA 1.464 57.715 56.287 -0.059 0.000 0.930 463 K CB -0.215 32.295 32.500 0.017 0.000 0.720 463 K HN 0.709 nan 8.250 nan 0.000 0.450 464 E N -1.338 118.807 120.200 -0.092 0.000 2.660 464 E HA 0.176 4.526 4.350 0.000 0.000 0.216 464 E C -0.134 176.429 176.600 -0.062 0.000 0.986 464 E CA 0.142 56.511 56.400 -0.050 0.000 1.037 464 E CB 0.939 30.619 29.700 -0.033 0.000 1.041 464 E HN 0.175 nan 8.360 nan 0.000 0.480 465 A N 1.846 124.616 122.820 -0.084 0.000 2.869 465 A HA -0.281 4.039 4.320 0.000 0.000 0.280 465 A C 1.315 178.883 177.584 -0.026 0.000 1.458 465 A CA 1.443 53.481 52.037 0.002 0.000 0.776 465 A CB -2.155 16.760 19.000 -0.142 0.000 1.028 465 A HN 0.224 nan 8.150 nan 0.000 0.547 466 K N -1.793 118.523 120.400 -0.140 0.000 2.167 466 K HA 0.121 4.441 4.320 0.000 0.000 0.203 466 K C 0.074 176.327 176.600 -0.578 0.000 1.052 466 K CA 1.408 57.492 56.287 -0.338 0.000 0.956 466 K CB 0.037 32.304 32.500 -0.389 0.000 0.735 466 K HN 0.708 nan 8.250 nan 0.000 0.451 467 Y N -1.140 119.097 120.300 -0.105 0.000 2.609 467 Y HA 0.320 4.870 4.550 0.000 0.000 0.342 467 Y C -0.912 174.905 175.900 -0.139 0.000 1.058 467 Y CA -1.387 56.645 58.100 -0.113 0.000 1.055 467 Y CB 1.659 40.095 38.460 -0.040 0.000 1.292 467 Y HN -0.053 nan 8.280 nan 0.000 0.476 468 Y N -1.219 119.050 120.300 -0.051 0.000 2.552 468 Y HA 0.516 5.066 4.550 0.000 0.000 0.337 468 Y C -1.358 174.544 175.900 0.003 0.000 1.094 468 Y CA -1.450 56.456 58.100 -0.323 0.000 1.028 468 Y CB 1.567 39.271 38.460 -1.260 0.000 1.321 468 Y HN 0.580 nan 8.280 nan 0.000 0.456 469 Q N 3.778 123.700 119.800 0.204 0.000 2.325 469 Q HA 0.528 4.868 4.340 0.000 0.000 0.262 469 Q C -1.703 174.377 176.000 0.133 0.000 0.968 469 Q CA -0.658 55.239 55.803 0.158 0.000 0.877 469 Q CB 1.253 30.064 28.738 0.122 0.000 1.253 469 Q HN 0.951 nan 8.270 nan 0.000 0.448 470 L N 3.759 125.069 121.223 0.144 0.000 2.312 470 L HA 0.462 4.803 4.340 0.000 0.000 0.281 470 L C -0.243 176.692 176.870 0.108 0.000 1.070 470 L CA -0.527 54.392 54.840 0.131 0.000 0.805 470 L CB 1.062 43.189 42.059 0.113 0.000 1.174 470 L HN 0.534 nan 8.230 nan 0.000 0.434 471 R N 1.943 122.480 120.500 0.063 0.000 2.337 471 R HA 0.297 4.638 4.340 0.000 0.000 0.319 471 R C -0.944 175.236 176.300 -0.201 0.000 0.954 471 R CA -0.254 55.718 56.100 -0.214 0.000 0.840 471 R CB 1.318 31.514 30.300 -0.173 0.000 1.164 471 R HN 0.605 nan 8.270 nan 0.000 0.472 472 c N 2.723 121.099 118.600 -0.374 0.000 2.369 472 c HA 0.530 5.100 4.570 0.000 0.000 0.358 472 c C 1.032 174.888 174.090 -0.390 0.000 1.274 472 c CA -0.213 55.776 56.329 -0.567 0.000 1.935 472 c CB 0.048 42.206 42.510 -0.588 0.000 2.431 472 c HN 0.972 nan 8.230 nan 0.000 0.545 473 S N 3.465 119.006 115.700 -0.265 0.000 2.819 473 S HA 0.616 5.086 4.470 0.000 0.000 0.249 473 S C 0.221 174.757 174.600 -0.106 0.000 1.030 473 S CA 0.198 58.302 58.200 -0.160 0.000 1.052 473 S CB 0.103 63.233 63.200 -0.117 0.000 1.017 473 S HN 1.888 nan 8.310 nan 0.000 0.576 474 G N 1.833 110.565 108.800 -0.113 0.000 2.340 474 G HA2 0.430 4.390 3.960 0.000 0.000 0.298 474 G HA3 0.430 4.390 3.960 0.000 0.000 0.298 474 G C -3.209 171.665 174.900 -0.043 0.000 1.498 474 G CA -0.695 44.383 45.100 -0.037 0.000 0.847 474 G HN -0.123 nan 8.290 nan 0.000 0.594 475 P HA 0.175 nan 4.420 nan 0.000 0.249 475 P C 1.261 178.585 177.300 0.039 0.000 1.229 475 P CA 0.970 64.097 63.100 0.045 0.000 0.788 475 P CB 0.504 32.231 31.700 0.044 0.000 1.072 476 G N 0.427 109.184 108.800 -0.073 0.000 2.563 476 G HA2 0.385 4.345 3.960 0.000 0.000 0.283 476 G HA3 0.385 4.345 3.960 0.000 0.000 0.283 476 G C -0.244 174.419 174.900 -0.395 0.000 1.309 476 G CA -0.719 44.267 45.100 -0.191 0.000 1.022 476 G HN 0.037 nan 8.290 nan 0.000 0.501 477 L N 1.099 121.997 121.223 -0.540 0.000 2.485 477 L HA 0.153 4.493 4.340 0.000 0.000 0.275 477 L C -1.836 174.863 176.870 -0.284 0.000 1.207 477 L CA -1.299 53.184 54.840 -0.594 0.000 0.855 477 L CB 0.496 42.287 42.059 -0.448 0.000 1.114 477 L HN 0.249 nan 8.230 nan 0.000 0.485 478 P HA 0.050 nan 4.420 nan 0.000 0.266 478 P C -0.876 176.365 177.300 -0.099 0.000 1.193 478 P CA -0.035 62.977 63.100 -0.146 0.000 0.770 478 P CB 0.568 32.255 31.700 -0.021 0.000 0.836 479 L N 4.379 125.467 121.223 -0.225 0.000 2.491 479 L HA 0.428 4.768 4.340 0.000 0.000 0.267 479 L C -1.781 174.994 176.870 -0.159 0.000 0.971 479 L CA -0.588 54.197 54.840 -0.091 0.000 0.857 479 L CB 0.688 42.697 42.059 -0.084 0.000 1.226 479 L HN 0.186 nan 8.230 nan 0.000 0.408 480 Y N 2.689 122.953 120.300 -0.059 0.000 2.330 480 Y HA 0.778 5.328 4.550 0.000 0.000 0.336 480 Y C 0.762 176.572 175.900 -0.150 0.000 1.036 480 Y CA -0.484 57.566 58.100 -0.082 0.000 1.125 480 Y CB 1.909 40.297 38.460 -0.120 0.000 1.194 480 Y HN 0.663 nan 8.280 nan 0.000 0.469 481 T N 1.234 115.810 114.554 0.037 0.000 2.883 481 T HA 0.662 5.012 4.350 0.000 0.000 0.296 481 T C -1.457 173.204 174.700 -0.064 0.000 1.117 481 T CA -0.940 61.125 62.100 -0.059 0.000 1.006 481 T CB 1.803 70.671 68.868 0.000 0.000 1.191 481 T HN 0.485 nan 8.240 nan 0.000 0.508 482 L N 1.190 122.274 121.223 -0.231 0.000 2.330 482 L HA 0.706 5.046 4.340 0.000 0.000 0.271 482 L C -1.185 175.406 176.870 -0.465 0.000 1.013 482 L CA -0.557 54.178 54.840 -0.176 0.000 0.816 482 L CB 1.749 43.731 42.059 -0.128 0.000 1.287 482 L HN 0.978 nan 8.230 nan 0.000 0.435 483 H N -0.156 118.709 119.070 -0.341 0.000 2.996 483 H HA 0.359 4.915 4.556 0.000 0.000 0.368 483 H C -0.511 174.582 175.328 -0.392 0.000 1.185 483 H CA -0.638 55.101 56.048 -0.515 0.000 1.160 483 H CB 1.926 31.003 29.762 -1.142 0.000 1.820 483 H HN 0.479 nan 8.280 nan 0.000 0.547 484 S N 0.436 116.070 115.700 -0.109 0.000 2.462 484 S HA 0.277 4.747 4.470 0.000 0.000 0.294 484 S C 0.403 174.940 174.600 -0.104 0.000 1.144 484 S CA -0.542 57.564 58.200 -0.157 0.000 1.088 484 S CB 1.564 64.686 63.200 -0.130 0.000 1.009 484 S HN 0.584 nan 8.310 nan 0.000 0.484 485 S N 2.680 118.344 115.700 -0.059 0.000 2.406 485 S HA -0.112 4.358 4.470 0.000 0.000 0.228 485 S C 1.966 176.601 174.600 0.059 0.000 1.020 485 S CA 0.834 59.127 58.200 0.155 0.000 0.965 485 S CB -0.639 62.661 63.200 0.167 0.000 0.798 485 S HN 0.787 nan 8.310 nan 0.000 0.488 486 V N 4.046 123.943 119.914 -0.028 0.000 2.313 486 V HA -0.279 3.841 4.120 0.000 0.000 0.253 486 V C 1.208 177.311 176.094 0.014 0.000 1.070 486 V CA 2.510 64.807 62.300 -0.006 0.000 1.057 486 V CB -0.625 31.177 31.823 -0.036 0.000 0.653 486 V HN 0.868 nan 8.190 nan 0.000 0.450 487 N N -3.373 115.332 118.700 0.008 0.000 2.082 487 N HA 0.092 4.832 4.740 0.000 0.000 0.228 487 N C -0.210 175.311 175.510 0.018 0.000 1.341 487 N CA 0.334 53.391 53.050 0.012 0.000 0.873 487 N CB 0.635 39.128 38.487 0.010 0.000 1.137 487 N HN 0.334 nan 8.380 nan 0.000 0.505 488 D N 1.112 121.538 120.400 0.044 0.000 2.837 488 D HA -0.164 4.476 4.640 0.000 0.000 0.230 488 D C -0.320 176.021 176.300 0.068 0.000 1.152 488 D CA 1.137 55.191 54.000 0.090 0.000 0.736 488 D CB -0.791 40.049 40.800 0.066 0.000 1.084 488 D HN 0.532 nan 8.370 nan 0.000 0.429 489 K N 0.652 121.067 120.400 0.025 0.000 2.322 489 K HA 0.387 4.707 4.320 0.000 0.000 0.283 489 K C 0.698 177.271 176.600 -0.045 0.000 1.042 489 K CA 0.004 56.291 56.287 -0.000 0.000 0.958 489 K CB 0.838 33.331 32.500 -0.011 0.000 0.984 489 K HN 0.069 nan 8.250 nan 0.000 0.473 490 G N 5.075 113.825 108.800 -0.084 0.000 2.389 490 G HA2 0.131 4.091 3.960 0.000 0.000 0.287 490 G HA3 0.131 4.091 3.960 0.000 0.000 0.287 490 G C 0.628 175.365 174.900 -0.271 0.000 1.126 490 G CA -0.413 44.484 45.100 -0.339 0.000 1.073 490 G HN 0.720 nan 8.290 nan 0.000 0.429 491 L N 2.038 123.076 121.223 -0.308 0.000 2.007 491 L HA 0.220 4.560 4.340 0.000 0.000 0.205 491 L C 1.771 178.548 176.870 -0.156 0.000 1.073 491 L CA 1.111 55.852 54.840 -0.165 0.000 0.744 491 L CB -0.285 41.712 42.059 -0.103 0.000 0.898 491 L HN 0.714 nan 8.230 nan 0.000 0.435 492 R N -1.887 118.491 120.500 -0.204 0.000 2.747 492 R HA 0.472 4.812 4.340 0.000 0.000 0.272 492 R C -1.553 174.633 176.300 -0.191 0.000 1.032 492 R CA -0.901 55.103 56.100 -0.160 0.000 0.896 492 R CB 1.634 31.870 30.300 -0.105 0.000 1.253 492 R HN -0.270 nan 8.270 nan 0.000 0.461 493 V N 2.743 122.568 119.914 -0.148 0.000 2.385 493 V HA 0.162 4.282 4.120 0.000 0.000 0.269 493 V C 1.279 177.249 176.094 -0.207 0.000 1.043 493 V CA -0.342 61.869 62.300 -0.147 0.000 0.906 493 V CB 1.037 32.806 31.823 -0.092 0.000 0.995 493 V HN 0.631 nan 8.190 nan 0.000 0.467 494 L N 2.999 124.030 121.223 -0.320 0.000 2.131 494 L HA 0.203 4.543 4.340 0.000 0.000 0.206 494 L C 0.833 177.403 176.870 -0.500 0.000 1.087 494 L CA 0.922 55.380 54.840 -0.638 0.000 0.767 494 L CB 0.159 41.511 42.059 -1.179 0.000 0.917 494 L HN 0.689 nan 8.230 nan 0.000 0.441 495 E N -0.655 119.408 120.200 -0.228 0.000 2.378 495 E HA 0.125 4.475 4.350 0.000 0.000 0.283 495 E C -1.393 175.245 176.600 0.063 0.000 0.979 495 E CA -0.352 56.014 56.400 -0.057 0.000 0.795 495 E CB 1.297 30.958 29.700 -0.066 0.000 1.221 495 E HN 0.123 nan 8.360 nan 0.000 0.428 496 D N 2.635 123.062 120.400 0.046 0.000 2.530 496 D HA 0.116 4.756 4.640 0.000 0.000 0.253 496 D C -0.340 175.972 176.300 0.021 0.000 1.338 496 D CA -0.192 53.827 54.000 0.032 0.000 0.806 496 D CB -0.152 40.646 40.800 -0.003 0.000 1.160 496 D HN 0.461 nan 8.370 nan 0.000 0.514 497 N N 0.890 119.615 118.700 0.042 0.000 2.708 497 N HA -0.223 4.517 4.740 0.000 0.000 0.251 497 N C 1.194 176.711 175.510 0.011 0.000 1.123 497 N CA 1.112 54.181 53.050 0.033 0.000 0.739 497 N CB -1.639 36.860 38.487 0.021 0.000 1.113 497 N HN 0.502 nan 8.380 nan 0.000 0.561 498 S N -0.867 114.838 115.700 0.008 0.000 2.400 498 S HA -0.092 4.378 4.470 0.000 0.000 0.232 498 S C 2.140 176.754 174.600 0.023 0.000 1.025 498 S CA 1.184 59.387 58.200 0.006 0.000 0.993 498 S CB -0.281 62.921 63.200 0.004 0.000 0.808 498 S HN 0.560 nan 8.310 nan 0.000 0.478 499 A N 2.338 125.179 122.820 0.035 0.000 1.869 499 A HA -0.098 4.222 4.320 0.000 0.000 0.218 499 A C 2.268 179.892 177.584 0.067 0.000 1.203 499 A CA 1.933 54.000 52.037 0.050 0.000 0.638 499 A CB -1.108 17.925 19.000 0.055 0.000 0.831 499 A HN 0.529 nan 8.150 nan 0.000 0.450 500 L N -0.164 121.103 121.223 0.073 0.000 2.046 500 L HA -0.160 4.180 4.340 0.000 0.000 0.208 500 L C 2.047 178.957 176.870 0.068 0.000 1.077 500 L CA 2.613 57.514 54.840 0.102 0.000 0.747 500 L CB -0.601 41.517 42.059 0.099 0.000 0.896 500 L HN 0.460 nan 8.230 nan 0.000 0.432 501 D N -0.558 119.852 120.400 0.017 0.000 2.133 501 D HA -0.217 4.423 4.640 0.000 0.000 0.195 501 D C 1.999 178.309 176.300 0.017 0.000 0.997 501 D CA 1.001 54.995 54.000 -0.010 0.000 0.840 501 D CB 0.140 40.923 40.800 -0.029 0.000 0.947 501 D HN 0.186 nan 8.370 nan 0.000 0.452 502 K N 0.126 120.548 120.400 0.037 0.000 1.977 502 K HA -0.124 4.196 4.320 0.000 0.000 0.218 502 K C 2.392 179.036 176.600 0.074 0.000 1.051 502 K CA 0.984 57.300 56.287 0.049 0.000 0.953 502 K CB -0.947 31.585 32.500 0.052 0.000 0.727 502 K HN 0.321 nan 8.250 nan 0.000 0.445 503 M N 0.661 120.331 119.600 0.117 0.000 2.195 503 M HA -0.178 4.302 4.480 0.000 0.000 0.260 503 M C 2.170 178.566 176.300 0.159 0.000 1.066 503 M CA 1.344 56.760 55.300 0.192 0.000 1.089 503 M CB -0.296 32.493 32.600 0.314 0.000 1.377 503 M HN 0.066 nan 8.290 nan 0.000 0.411 504 L N -0.058 121.205 121.223 0.068 0.000 2.313 504 L HA -0.162 4.178 4.340 0.000 0.000 0.214 504 L C 2.602 179.458 176.870 -0.024 0.000 1.119 504 L CA 0.766 55.583 54.840 -0.039 0.000 0.809 504 L CB -0.431 41.596 42.059 -0.054 0.000 0.933 504 L HN 0.460 nan 8.230 nan 0.000 0.449 505 Q N -1.357 118.449 119.800 0.009 0.000 2.435 505 Q HA -0.109 4.232 4.340 0.000 0.000 0.207 505 Q C 1.195 177.215 176.000 0.033 0.000 0.956 505 Q CA 0.619 56.431 55.803 0.014 0.000 0.917 505 Q CB -0.330 28.418 28.738 0.016 0.000 0.997 505 Q HN 0.370 nan 8.270 nan 0.000 0.497 506 N N 1.235 119.967 118.700 0.053 0.000 2.550 506 N HA -0.004 4.736 4.740 0.000 0.000 0.186 506 N C -0.208 175.348 175.510 0.076 0.000 1.110 506 N CA 0.322 53.418 53.050 0.076 0.000 0.912 506 N CB 0.726 39.281 38.487 0.113 0.000 0.968 506 N HN 0.209 nan 8.380 nan 0.000 0.448 507 V N 0.499 120.437 119.914 0.039 0.000 2.735 507 V HA 0.280 4.400 4.120 0.000 0.000 0.310 507 V C -0.854 175.238 176.094 -0.003 0.000 1.061 507 V CA -0.839 61.480 62.300 0.032 0.000 0.913 507 V CB 2.023 33.851 31.823 0.007 0.000 1.005 507 V HN -0.003 nan 8.190 nan 0.000 0.428 508 Q N 6.348 126.153 119.800 0.007 0.000 2.613 508 Q HA 0.259 4.599 4.340 0.000 0.000 0.228 508 Q C -0.173 175.780 176.000 -0.079 0.000 1.318 508 Q CA -0.163 55.609 55.803 -0.052 0.000 0.907 508 Q CB 0.201 28.908 28.738 -0.052 0.000 1.593 508 Q HN 0.625 nan 8.270 nan 0.000 0.559 509 M N 2.543 122.086 119.600 -0.095 0.000 2.232 509 M HA 0.266 4.746 4.480 0.000 0.000 0.321 509 M C -2.043 174.176 176.300 -0.135 0.000 1.101 509 M CA -2.222 53.008 55.300 -0.117 0.000 1.181 509 M CB -0.596 31.941 32.600 -0.106 0.000 1.432 509 M HN 0.253 nan 8.290 nan 0.000 0.457 510 P HA 0.358 nan 4.420 nan 0.000 0.280 510 P C -0.990 176.225 177.300 -0.142 0.000 1.272 510 P CA -0.583 62.421 63.100 -0.159 0.000 0.819 510 P CB 0.682 32.273 31.700 -0.182 0.000 1.122 511 S N -0.950 114.659 115.700 -0.152 0.000 2.664 511 S HA 0.631 5.101 4.470 0.000 0.000 0.304 511 S C -0.663 173.845 174.600 -0.154 0.000 1.099 511 S CA -0.815 57.310 58.200 -0.125 0.000 1.003 511 S CB 1.496 64.633 63.200 -0.104 0.000 1.092 511 S HN 0.432 nan 8.310 nan 0.000 0.525 512 K N 0.866 121.199 120.400 -0.112 0.000 2.413 512 K HA 0.347 4.667 4.320 0.000 0.000 0.257 512 K C -1.198 175.346 176.600 -0.093 0.000 0.946 512 K CA -0.481 55.740 56.287 -0.110 0.000 0.823 512 K CB 1.160 33.613 32.500 -0.079 0.000 1.109 512 K HN 0.677 nan 8.250 nan 0.000 0.427 513 K N 5.657 125.987 120.400 -0.117 0.000 2.211 513 K HA 0.290 4.610 4.320 0.000 0.000 0.275 513 K C -1.180 175.356 176.600 -0.106 0.000 1.024 513 K CA -0.611 55.616 56.287 -0.100 0.000 0.887 513 K CB 0.949 33.382 32.500 -0.111 0.000 1.084 513 K HN 0.589 nan 8.250 nan 0.000 0.463 514 L N 4.488 125.669 121.223 -0.070 0.000 2.316 514 L HA 0.361 4.701 4.340 0.000 0.000 0.280 514 L C -1.128 175.720 176.870 -0.036 0.000 1.006 514 L CA -0.126 54.701 54.840 -0.022 0.000 0.836 514 L CB 1.229 43.347 42.059 0.098 0.000 1.221 514 L HN 0.827 nan 8.230 nan 0.000 0.418 515 D N 2.986 123.186 120.400 -0.333 0.000 2.895 515 D HA 0.567 5.207 4.640 0.000 0.000 0.320 515 D C -1.370 174.643 176.300 -0.477 0.000 1.249 515 D CA -0.033 53.715 54.000 -0.421 0.000 0.997 515 D CB 1.820 42.330 40.800 -0.483 0.000 1.430 515 D HN 0.246 nan 8.370 nan 0.000 0.558 516 F N -0.458 119.242 119.950 -0.416 0.000 2.629 516 F HA 0.743 5.270 4.527 0.000 0.000 0.316 516 F C -0.739 175.178 175.800 0.195 0.000 1.081 516 F CA -1.114 56.733 58.000 -0.256 0.000 0.954 516 F CB 0.848 39.181 39.000 -1.113 0.000 1.337 516 F HN 0.338 nan 8.300 nan 0.000 0.474 517 I N -0.398 120.499 120.570 0.545 0.000 3.170 517 I HA 0.723 4.893 4.170 0.000 0.000 0.312 517 I C -1.402 174.973 176.117 0.429 0.000 1.085 517 I CA -1.335 60.196 61.300 0.384 0.000 0.999 517 I CB 2.463 40.608 38.000 0.242 0.000 1.233 517 I HN 0.635 nan 8.210 nan 0.000 0.467 518 I N 3.342 124.090 120.570 0.297 0.000 2.389 518 I HA 0.456 4.627 4.170 0.000 0.000 0.288 518 I C -0.988 175.266 176.117 0.228 0.000 0.999 518 I CA -0.483 60.964 61.300 0.245 0.000 1.129 518 I CB 1.720 39.825 38.000 0.174 0.000 1.288 518 I HN 0.381 nan 8.210 nan 0.000 0.444 519 L N 6.067 127.483 121.223 0.322 0.000 2.386 519 L HA 0.498 4.838 4.340 0.000 0.000 0.271 519 L C -0.294 176.719 176.870 0.238 0.000 0.993 519 L CA -1.030 53.964 54.840 0.257 0.000 0.819 519 L CB 1.570 43.784 42.059 0.258 0.000 1.294 519 L HN 0.537 nan 8.230 nan 0.000 0.414 520 N N 1.869 120.648 118.700 0.131 0.000 2.678 520 N HA -0.224 4.516 4.740 0.000 0.000 0.268 520 N C -0.130 175.419 175.510 0.064 0.000 1.010 520 N CA 1.007 54.109 53.050 0.086 0.000 0.784 520 N CB -1.029 37.505 38.487 0.078 0.000 0.905 520 N HN 0.773 nan 8.380 nan 0.000 0.552 521 E N -2.642 117.589 120.200 0.051 0.000 2.170 521 E HA -0.280 4.070 4.350 0.000 0.000 0.214 521 E C 0.222 176.806 176.600 -0.026 0.000 1.344 521 E CA 1.427 57.839 56.400 0.019 0.000 0.714 521 E CB -1.694 28.012 29.700 0.011 0.000 1.112 521 E HN 0.743 nan 8.360 nan 0.000 0.350 522 T N -2.168 112.354 114.554 -0.053 0.000 2.893 522 T HA 0.533 4.883 4.350 0.000 0.000 0.291 522 T C -0.214 174.291 174.700 -0.326 0.000 1.028 522 T CA -1.401 60.569 62.100 -0.215 0.000 0.995 522 T CB 1.877 70.561 68.868 -0.306 0.000 1.051 522 T HN 0.160 nan 8.240 nan 0.000 0.470 523 K N 1.894 122.039 120.400 -0.425 0.000 2.205 523 K HA 0.525 4.845 4.320 0.000 0.000 0.279 523 K C -1.333 174.953 176.600 -0.524 0.000 1.027 523 K CA -0.629 55.388 56.287 -0.450 0.000 0.932 523 K CB 0.752 32.712 32.500 -0.899 0.000 1.032 523 K HN 0.573 nan 8.250 nan 0.000 0.466 524 F N 1.239 121.224 119.950 0.059 0.000 2.493 524 F HA 0.306 4.833 4.527 0.000 0.000 0.329 524 F C -0.668 175.244 175.800 0.187 0.000 1.126 524 F CA -0.897 57.184 58.000 0.135 0.000 0.937 524 F CB 1.199 40.327 39.000 0.213 0.000 1.146 524 F HN 0.487 nan 8.300 nan 0.000 0.442 525 W N 3.816 125.276 121.300 0.267 0.000 2.316 525 W HA 0.466 5.126 4.660 0.000 0.000 0.321 525 W C -0.528 176.216 176.519 0.375 0.000 1.203 525 W CA -0.666 56.867 57.345 0.314 0.000 1.214 525 W CB 0.476 30.042 29.460 0.177 0.000 1.169 525 W HN 0.417 nan 8.180 nan 0.000 0.561 526 Y N -0.067 120.573 120.300 0.567 0.000 2.602 526 Y HA 0.731 5.281 4.550 0.000 0.000 0.342 526 Y C -0.702 175.424 175.900 0.376 0.000 1.029 526 Y CA -1.958 56.473 58.100 0.551 0.000 1.080 526 Y CB 1.189 40.102 38.460 0.754 0.000 1.284 526 Y HN 0.553 nan 8.280 nan 0.000 0.485 527 Q N 2.046 122.056 119.800 0.349 0.000 2.421 527 Q HA 0.747 5.087 4.340 0.000 0.000 0.280 527 Q C -1.865 174.216 176.000 0.135 0.000 1.085 527 Q CA -1.131 54.749 55.803 0.128 0.000 0.807 527 Q CB 3.142 31.942 28.738 0.102 0.000 1.405 527 Q HN 0.858 nan 8.270 nan 0.000 0.419 528 M N 2.877 122.486 119.600 0.014 0.000 2.267 528 M HA 0.414 4.894 4.480 0.000 0.000 0.289 528 M C -1.206 175.008 176.300 -0.143 0.000 1.043 528 M CA -0.899 54.358 55.300 -0.072 0.000 0.928 528 M CB 2.118 34.642 32.600 -0.127 0.000 1.613 528 M HN 0.619 nan 8.290 nan 0.000 0.450 529 I N 5.153 125.640 120.570 -0.139 0.000 2.322 529 I HA 0.335 4.505 4.170 0.000 0.000 0.292 529 I C -0.332 175.628 176.117 -0.262 0.000 1.060 529 I CA -0.186 61.006 61.300 -0.181 0.000 1.309 529 I CB 0.012 37.925 38.000 -0.145 0.000 1.415 529 I HN 0.654 nan 8.210 nan 0.000 0.492 530 L N 8.600 129.620 121.223 -0.338 0.000 2.309 530 L HA 0.468 4.808 4.340 0.000 0.000 0.282 530 L C -2.190 174.484 176.870 -0.328 0.000 1.036 530 L CA -1.826 52.713 54.840 -0.501 0.000 0.806 530 L CB 1.352 42.951 42.059 -0.766 0.000 1.220 530 L HN 0.291 nan 8.230 nan 0.000 0.429 531 P HA 0.055 nan 4.420 nan 0.000 0.268 531 P C -2.463 174.784 177.300 -0.089 0.000 1.208 531 P CA -0.891 62.131 63.100 -0.130 0.000 0.777 531 P CB -0.303 31.387 31.700 -0.017 0.000 0.875 532 P HA -0.090 nan 4.420 nan 0.000 0.268 532 P C -0.159 177.033 177.300 -0.180 0.000 1.208 532 P CA 0.707 63.651 63.100 -0.261 0.000 0.777 532 P CB -0.059 31.402 31.700 -0.398 0.000 0.875 533 H N -1.334 117.770 119.070 0.057 0.000 2.713 533 H HA -0.209 4.347 4.556 0.000 0.000 0.311 533 H C 0.023 175.406 175.328 0.092 0.000 1.175 533 H CA 0.116 56.199 56.048 0.057 0.000 1.143 533 H CB -2.610 27.178 29.762 0.043 0.000 1.434 533 H HN 0.416 nan 8.280 nan 0.000 0.418 534 F N 2.734 122.681 119.950 -0.006 0.000 2.546 534 F HA 0.149 4.676 4.527 0.000 0.000 0.388 534 F C 0.475 176.267 175.800 -0.014 0.000 1.051 534 F CA -0.571 57.376 58.000 -0.089 0.000 1.130 534 F CB 0.406 39.243 39.000 -0.271 0.000 1.044 534 F HN 0.144 nan 8.300 nan 0.000 0.553 535 D N 6.389 126.549 120.400 -0.401 0.000 2.443 535 D HA 0.092 4.732 4.640 0.000 0.000 0.221 535 D C 0.885 176.803 176.300 -0.637 0.000 1.097 535 D CA -0.502 53.249 54.000 -0.415 0.000 0.865 535 D CB 0.785 41.517 40.800 -0.113 0.000 1.034 535 D HN 0.694 nan 8.370 nan 0.000 0.511 536 K N 1.728 121.623 120.400 -0.842 0.000 2.585 536 K HA -0.104 4.216 4.320 0.000 0.000 0.194 536 K C 0.670 177.208 176.600 -0.102 0.000 1.037 536 K CA 0.994 56.895 56.287 -0.642 0.000 0.964 536 K CB -0.093 32.164 32.500 -0.405 0.000 0.787 536 K HN 0.228 nan 8.250 nan 0.000 0.488 537 S N -0.575 115.071 115.700 -0.090 0.000 2.523 537 S HA 0.163 4.633 4.470 0.000 0.000 0.217 537 S C 0.131 174.735 174.600 0.006 0.000 0.996 537 S CA -0.660 57.536 58.200 -0.007 0.000 0.921 537 S CB 0.185 63.363 63.200 -0.036 0.000 0.829 537 S HN 0.209 nan 8.310 nan 0.000 0.495 538 K N 1.273 121.673 120.400 0.001 0.000 2.106 538 K HA 0.428 4.748 4.320 0.000 0.000 0.246 538 K C -0.615 175.977 176.600 -0.013 0.000 0.987 538 K CA -0.854 55.378 56.287 -0.092 0.000 0.904 538 K CB 0.530 32.849 32.500 -0.303 0.000 1.071 538 K HN -0.072 nan 8.250 nan 0.000 0.453 539 K N 2.447 122.781 120.400 -0.110 0.000 2.266 539 K HA 0.209 4.530 4.320 0.000 0.000 0.274 539 K C -0.859 175.678 176.600 -0.105 0.000 1.090 539 K CA -0.116 56.152 56.287 -0.030 0.000 0.925 539 K CB 0.129 32.596 32.500 -0.055 0.000 1.225 539 K HN 0.442 nan 8.250 nan 0.000 0.458 540 Y N 3.395 123.737 120.300 0.070 0.000 2.320 540 Y HA 0.215 4.765 4.550 0.000 0.000 0.324 540 Y C -1.645 174.197 175.900 -0.097 0.000 1.190 540 Y CA -2.104 56.010 58.100 0.023 0.000 1.215 540 Y CB 0.800 39.341 38.460 0.134 0.000 1.221 540 Y HN 0.433 nan 8.280 nan 0.000 0.486 541 P HA 0.185 nan 4.420 nan 0.000 0.279 541 P C -1.174 175.977 177.300 -0.248 0.000 1.239 541 P CA -0.224 62.608 63.100 -0.446 0.000 0.789 541 P CB 1.445 32.557 31.700 -0.979 0.000 0.933 542 L N 3.586 124.706 121.223 -0.171 0.000 2.362 542 L HA 0.500 4.840 4.340 0.000 0.000 0.275 542 L C -1.056 175.998 176.870 0.308 0.000 0.998 542 L CA -0.956 53.930 54.840 0.076 0.000 0.820 542 L CB 1.512 43.615 42.059 0.074 0.000 1.270 542 L HN 0.250 nan 8.230 nan 0.000 0.415 543 L N 5.881 127.306 121.223 0.336 0.000 2.280 543 L HA 0.400 4.740 4.340 0.000 0.000 0.287 543 L C -1.082 176.026 176.870 0.396 0.000 1.023 543 L CA -0.872 54.222 54.840 0.424 0.000 0.819 543 L CB 1.657 43.918 42.059 0.336 0.000 1.212 543 L HN 0.604 nan 8.230 nan 0.000 0.420 544 L N 5.395 126.900 121.223 0.470 0.000 2.315 544 L HA 0.286 4.626 4.340 0.000 0.000 0.283 544 L C -0.149 176.965 176.870 0.406 0.000 1.089 544 L CA 0.230 55.335 54.840 0.442 0.000 0.833 544 L CB 0.664 43.034 42.059 0.518 0.000 1.170 544 L HN 0.479 nan 8.230 nan 0.000 0.442 545 D N 4.310 124.920 120.400 0.349 0.000 2.347 545 D HA 0.210 4.850 4.640 0.000 0.000 0.235 545 D C -1.049 175.333 176.300 0.137 0.000 1.149 545 D CA 0.079 54.206 54.000 0.213 0.000 0.850 545 D CB 1.325 42.307 40.800 0.304 0.000 1.061 545 D HN 0.342 nan 8.370 nan 0.000 0.487 546 V N 5.856 125.775 119.914 0.008 0.000 2.604 546 V HA 0.339 4.459 4.120 0.000 0.000 0.305 546 V C -0.698 175.478 176.094 0.137 0.000 1.043 546 V CA -0.459 61.909 62.300 0.112 0.000 0.888 546 V CB 1.719 33.610 31.823 0.113 0.000 0.995 546 V HN 0.649 nan 8.190 nan 0.000 0.429 547 Y N 5.597 125.955 120.300 0.095 0.000 2.697 547 Y HA 0.492 5.043 4.550 0.000 0.000 0.268 547 Y C 1.727 177.741 175.900 0.189 0.000 1.092 547 Y CA 1.314 59.492 58.100 0.130 0.000 1.304 547 Y CB 0.408 38.929 38.460 0.101 0.000 1.446 547 Y HN 0.924 nan 8.280 nan 0.000 0.491 548 A N 0.525 123.453 122.820 0.181 0.000 3.413 548 A HA -0.216 4.104 4.320 0.000 0.000 0.268 548 A C 1.105 178.519 177.584 -0.284 0.000 1.128 548 A CA 0.896 52.976 52.037 0.073 0.000 1.062 548 A CB -2.646 16.466 19.000 0.186 0.000 1.121 548 A HN 0.873 nan 8.150 nan 0.000 0.895 549 G N -0.555 107.843 108.800 -0.669 0.000 2.554 549 G HA2 0.427 4.387 3.960 0.000 0.000 0.238 549 G HA3 0.427 4.387 3.960 0.000 0.000 0.238 549 G C -2.113 172.534 174.900 -0.421 0.000 1.259 549 G CA -0.377 44.034 45.100 -1.149 0.000 0.843 549 G HN 0.304 nan 8.290 nan 0.000 0.582 550 P HA 0.020 nan 4.420 nan 0.000 0.260 550 P C 0.716 177.955 177.300 -0.103 0.000 1.172 550 P CA 0.208 63.102 63.100 -0.343 0.000 0.760 550 P CB 0.558 31.692 31.700 -0.944 0.000 0.773 551 C N 2.692 121.959 119.300 -0.055 0.000 4.392 551 C HA -0.164 4.296 4.460 0.000 0.000 0.280 551 C C 1.077 176.116 174.990 0.081 0.000 1.381 551 C CA 1.145 60.084 59.018 -0.132 0.000 1.871 551 C CB -2.669 24.816 27.740 -0.426 0.000 1.323 551 C HN 0.796 nan 8.230 nan 0.000 0.772 552 S N -0.046 115.765 115.700 0.184 0.000 2.645 552 S HA 0.544 5.014 4.470 0.000 0.000 0.266 552 S C -0.538 174.232 174.600 0.283 0.000 1.258 552 S CA 0.295 58.677 58.200 0.305 0.000 0.990 552 S CB 1.525 64.973 63.200 0.413 0.000 0.967 552 S HN 0.844 nan 8.310 nan 0.000 0.556 553 Q N -0.070 119.906 119.800 0.294 0.000 2.526 553 Q HA 0.326 4.666 4.340 0.000 0.000 0.238 553 Q C -0.762 175.348 176.000 0.183 0.000 0.866 553 Q CA -0.548 55.411 55.803 0.260 0.000 0.801 553 Q CB 0.878 29.810 28.738 0.324 0.000 1.380 553 Q HN 0.685 nan 8.270 nan 0.000 0.446 554 K N 0.955 121.463 120.400 0.180 0.000 2.358 554 K HA 0.323 4.643 4.320 0.000 0.000 0.200 554 K C -0.344 176.349 176.600 0.155 0.000 1.030 554 K CA 0.284 56.666 56.287 0.159 0.000 1.097 554 K CB 1.457 34.076 32.500 0.199 0.000 0.862 554 K HN 0.469 nan 8.250 nan 0.000 0.534 555 A N 2.678 125.597 122.820 0.164 0.000 2.511 555 A HA 0.367 4.687 4.320 0.000 0.000 0.340 555 A C -0.710 176.933 177.584 0.099 0.000 1.396 555 A CA -0.621 51.516 52.037 0.166 0.000 0.887 555 A CB -0.016 19.143 19.000 0.265 0.000 1.145 555 A HN 0.223 nan 8.150 nan 0.000 0.497 556 D N -0.223 120.215 120.400 0.064 0.000 2.801 556 D HA 0.513 5.153 4.640 0.000 0.000 0.277 556 D C 0.481 176.799 176.300 0.031 0.000 1.125 556 D CA 0.274 54.307 54.000 0.054 0.000 1.102 556 D CB 0.441 41.293 40.800 0.086 0.000 1.400 556 D HN 0.111 nan 8.370 nan 0.000 0.601 557 T N -2.207 112.389 114.554 0.071 0.000 3.243 557 T HA 0.379 4.729 4.350 0.000 0.000 0.264 557 T C 0.205 174.868 174.700 -0.061 0.000 1.000 557 T CA -0.501 61.624 62.100 0.042 0.000 0.901 557 T CB -0.827 68.104 68.868 0.105 0.000 1.083 557 T HN 0.244 nan 8.240 nan 0.000 0.559 558 V N 2.091 121.864 119.914 -0.235 0.000 2.775 558 V HA 0.374 4.494 4.120 0.000 0.000 0.299 558 V C 0.083 176.114 176.094 -0.106 0.000 1.062 558 V CA -0.931 61.185 62.300 -0.306 0.000 1.063 558 V CB 0.487 32.030 31.823 -0.467 0.000 0.994 558 V HN 0.588 nan 8.190 nan 0.000 0.483 559 F N 5.338 125.183 119.950 -0.175 0.000 2.411 559 F HA 0.559 5.086 4.527 0.000 0.000 0.355 559 F C 0.454 176.189 175.800 -0.107 0.000 1.117 559 F CA -0.256 57.669 58.000 -0.125 0.000 1.139 559 F CB 0.282 39.218 39.000 -0.108 0.000 1.120 559 F HN 0.400 nan 8.300 nan 0.000 0.493 560 R N 6.920 126.960 120.500 -0.766 0.000 2.628 560 R HA 0.514 4.854 4.340 0.000 0.000 0.288 560 R C -1.586 174.331 176.300 -0.639 0.000 0.980 560 R CA -1.039 54.761 56.100 -0.500 0.000 0.891 560 R CB 2.165 32.309 30.300 -0.259 0.000 1.188 560 R HN 0.659 nan 8.270 nan 0.000 0.450 561 L N 4.322 125.335 121.223 -0.351 0.000 2.283 561 L HA 0.391 4.731 4.340 0.000 0.000 0.281 561 L C -0.595 176.230 176.870 -0.074 0.000 1.033 561 L CA -0.588 54.097 54.840 -0.258 0.000 0.848 561 L CB 0.500 42.531 42.059 -0.048 0.000 1.226 561 L HN 0.778 nan 8.230 nan 0.000 0.429 562 N N 0.196 118.772 118.700 -0.207 0.000 3.344 562 N HA 0.145 4.885 4.740 0.000 0.000 0.296 562 N C 0.132 175.273 175.510 -0.615 0.000 1.571 562 N CA -0.925 51.871 53.050 -0.424 0.000 0.844 562 N CB 0.163 38.568 38.487 -0.136 0.000 1.718 562 N HN 0.270 nan 8.380 nan 0.000 0.589 563 W N 0.601 121.273 121.300 -1.047 0.000 2.308 563 W HA -0.045 4.615 4.660 0.000 0.000 0.301 563 W C 1.992 178.463 176.519 -0.079 0.000 1.220 563 W CA 3.112 60.142 57.345 -0.524 0.000 1.240 563 W CB -1.006 28.337 29.460 -0.194 0.000 1.142 563 W HN 0.734 nan 8.180 nan 0.000 0.521 564 A N -0.959 121.852 122.820 -0.015 0.000 1.969 564 A HA -0.164 4.156 4.320 0.000 0.000 0.218 564 A C 1.951 179.438 177.584 -0.161 0.000 1.169 564 A CA 2.276 54.246 52.037 -0.113 0.000 0.635 564 A CB -1.203 17.808 19.000 0.020 0.000 0.810 564 A HN 0.285 nan 8.150 nan 0.000 0.445 565 T N -1.042 113.427 114.554 -0.141 0.000 2.684 565 T HA -0.223 4.127 4.350 0.000 0.000 0.267 565 T C 1.810 176.531 174.700 0.035 0.000 1.036 565 T CA 1.778 63.779 62.100 -0.164 0.000 1.148 565 T CB -0.544 68.093 68.868 -0.385 0.000 0.863 565 T HN 0.666 nan 8.240 nan 0.000 0.436 566 Y N 2.108 122.483 120.300 0.126 0.000 2.128 566 Y HA -0.115 4.435 4.550 0.000 0.000 0.284 566 Y C 2.011 177.875 175.900 -0.060 0.000 1.154 566 Y CA 1.089 59.267 58.100 0.131 0.000 1.149 566 Y CB -0.773 37.742 38.460 0.091 0.000 0.976 566 Y HN 0.119 nan 8.280 nan 0.000 0.505 567 L N 0.174 120.992 121.223 -0.675 0.000 2.042 567 L HA -0.251 4.089 4.340 0.000 0.000 0.210 567 L C 2.856 179.462 176.870 -0.440 0.000 1.076 567 L CA 1.361 55.740 54.840 -0.768 0.000 0.749 567 L CB -1.050 40.615 42.059 -0.656 0.000 0.893 567 L HN 0.435 nan 8.230 nan 0.000 0.432 568 A N -0.878 121.767 122.820 -0.292 0.000 1.841 568 A HA -0.226 4.094 4.320 0.000 0.000 0.214 568 A C 2.533 180.021 177.584 -0.159 0.000 1.195 568 A CA 1.945 53.862 52.037 -0.199 0.000 0.611 568 A CB -0.882 18.005 19.000 -0.190 0.000 0.835 568 A HN 0.377 nan 8.150 nan 0.000 0.443 569 S N -1.139 114.481 115.700 -0.133 0.000 2.353 569 S HA -0.153 4.317 4.470 0.000 0.000 0.222 569 S C 1.931 176.503 174.600 -0.048 0.000 1.035 569 S CA 2.451 60.616 58.200 -0.058 0.000 1.025 569 S CB -0.553 62.674 63.200 0.044 0.000 0.902 569 S HN 0.559 nan 8.310 nan 0.000 0.440 570 T N 0.878 115.365 114.554 -0.112 0.000 3.044 570 T HA 0.221 4.571 4.350 0.000 0.000 0.255 570 T C 1.196 175.823 174.700 -0.121 0.000 1.073 570 T CA 0.493 62.551 62.100 -0.071 0.000 1.125 570 T CB 0.018 68.906 68.868 0.033 0.000 0.908 570 T HN 0.362 nan 8.240 nan 0.000 0.480 571 E N 1.139 121.190 120.200 -0.248 0.000 2.526 571 E HA 0.182 4.532 4.350 0.000 0.000 0.208 571 E C -0.239 176.330 176.600 -0.053 0.000 0.997 571 E CA -0.124 56.184 56.400 -0.154 0.000 0.961 571 E CB -0.154 29.401 29.700 -0.241 0.000 1.030 571 E HN 0.524 nan 8.360 nan 0.000 0.483 572 N N 1.134 119.813 118.700 -0.035 0.000 2.688 572 N HA -0.197 4.543 4.740 0.000 0.000 0.258 572 N C -0.884 174.688 175.510 0.104 0.000 1.016 572 N CA 0.370 53.469 53.050 0.082 0.000 0.747 572 N CB -1.265 37.331 38.487 0.181 0.000 0.895 572 N HN 0.232 nan 8.380 nan 0.000 0.543 573 I N 0.755 121.322 120.570 -0.004 0.000 2.433 573 I HA 0.367 4.537 4.170 0.000 0.000 0.292 573 I C 0.502 176.589 176.117 -0.050 0.000 1.001 573 I CA -0.978 60.329 61.300 0.013 0.000 1.119 573 I CB 1.465 39.489 38.000 0.040 0.000 1.289 573 I HN 0.075 nan 8.210 nan 0.000 0.438 574 I N 6.439 126.983 120.570 -0.044 0.000 2.452 574 I HA 0.098 4.268 4.170 0.000 0.000 0.287 574 I C -0.231 175.862 176.117 -0.040 0.000 1.079 574 I CA -0.304 60.924 61.300 -0.119 0.000 1.387 574 I CB 0.732 38.648 38.000 -0.140 0.000 1.404 574 I HN 0.214 nan 8.210 nan 0.000 0.522 575 V N 6.943 126.824 119.914 -0.055 0.000 2.333 575 V HA 0.570 4.690 4.120 0.000 0.000 0.274 575 V C 0.454 176.573 176.094 0.042 0.000 1.028 575 V CA -0.434 61.887 62.300 0.035 0.000 0.851 575 V CB 0.890 32.730 31.823 0.029 0.000 1.000 575 V HN 0.827 nan 8.190 nan 0.000 0.456 576 A N 4.100 126.977 122.820 0.096 0.000 2.350 576 A HA 0.908 5.228 4.320 0.000 0.000 0.324 576 A C -0.098 177.634 177.584 0.247 0.000 1.118 576 A CA -0.458 51.630 52.037 0.085 0.000 0.783 576 A CB 1.583 20.502 19.000 -0.135 0.000 1.236 576 A HN 0.674 nan 8.150 nan 0.000 0.457 577 S N 0.083 115.966 115.700 0.304 0.000 2.568 577 S HA 0.792 5.262 4.470 0.000 0.000 0.293 577 S C -1.403 173.534 174.600 0.561 0.000 1.089 577 S CA -0.314 58.116 58.200 0.383 0.000 0.945 577 S CB 1.360 64.728 63.200 0.280 0.000 1.077 577 S HN 0.770 nan 8.310 nan 0.000 0.485 578 F N 1.843 122.019 119.950 0.376 0.000 2.585 578 F HA 0.399 4.927 4.527 0.000 0.000 0.319 578 F C -1.542 174.457 175.800 0.331 0.000 1.165 578 F CA -0.769 57.477 58.000 0.411 0.000 0.949 578 F CB 1.276 40.505 39.000 0.382 0.000 1.218 578 F HN 0.379 nan 8.300 nan 0.000 0.453 579 D N 4.929 125.163 120.400 -0.276 0.000 2.393 579 D HA 0.356 4.996 4.640 0.000 0.000 0.232 579 D C 0.457 176.461 176.300 -0.493 0.000 1.192 579 D CA 0.292 54.175 54.000 -0.195 0.000 0.882 579 D CB 1.416 42.247 40.800 0.052 0.000 1.038 579 D HN 0.758 nan 8.370 nan 0.000 0.499 580 G N 1.596 110.234 108.800 -0.271 0.000 2.695 580 G HA2 0.281 4.241 3.960 0.000 0.000 0.213 580 G HA3 0.281 4.241 3.960 0.000 0.000 0.213 580 G C 0.099 175.054 174.900 0.091 0.000 1.406 580 G CA -0.725 44.292 45.100 -0.139 0.000 1.049 580 G HN 0.298 nan 8.290 nan 0.000 0.573 581 R N -0.590 119.950 120.500 0.066 0.000 2.570 581 R HA 0.388 4.728 4.340 0.000 0.000 0.277 581 R C 1.153 177.547 176.300 0.156 0.000 1.039 581 R CA 1.428 57.626 56.100 0.163 0.000 1.065 581 R CB 0.590 30.955 30.300 0.108 0.000 0.964 581 R HN 1.022 nan 8.270 nan 0.000 0.428 582 G N 1.241 110.123 108.800 0.137 0.000 2.232 582 G HA2 -0.309 3.651 3.960 0.000 0.000 0.226 582 G HA3 -0.309 3.651 3.960 0.000 0.000 0.226 582 G C 0.118 175.052 174.900 0.057 0.000 0.996 582 G CA 0.096 45.262 45.100 0.110 0.000 0.626 582 G HN 0.694 nan 8.290 nan 0.000 0.509 583 S N 0.374 116.116 115.700 0.069 0.000 2.608 583 S HA 0.672 5.142 4.470 0.000 0.000 0.261 583 S C 0.909 175.485 174.600 -0.040 0.000 1.314 583 S CA 0.370 58.600 58.200 0.050 0.000 0.992 583 S CB 1.728 64.990 63.200 0.104 0.000 0.935 583 S HN 1.614 nan 8.310 nan 0.000 0.564 584 G N -1.200 107.531 108.800 -0.114 0.000 2.557 584 G HA2 0.493 4.453 3.960 0.000 0.000 0.302 584 G HA3 0.493 4.453 3.960 0.000 0.000 0.302 584 G C -0.863 173.844 174.900 -0.322 0.000 1.311 584 G CA -0.946 43.879 45.100 -0.460 0.000 1.030 584 G HN 0.938 nan 8.290 nan 0.000 0.509 585 Y N -2.573 117.704 120.300 -0.040 0.000 4.907 585 Y HA -0.225 4.325 4.550 0.000 0.000 0.246 585 Y C 1.494 177.383 175.900 -0.018 0.000 0.968 585 Y CA 1.158 59.243 58.100 -0.024 0.000 1.961 585 Y CB -2.015 36.444 38.460 -0.002 0.000 1.487 585 Y HN 0.521 nan 8.280 nan 0.000 0.575 586 Q N 0.269 120.061 119.800 -0.013 0.000 2.110 586 Q HA 0.502 4.842 4.340 0.000 0.000 0.232 586 Q C 1.034 176.896 176.000 -0.230 0.000 0.810 586 Q CA 0.209 56.012 55.803 0.000 0.000 1.083 586 Q CB 1.457 30.201 28.738 0.010 0.000 1.193 586 Q HN 0.560 nan 8.270 nan 0.000 0.471 587 G N 1.027 109.571 108.800 -0.427 0.000 2.787 587 G HA2 -0.226 3.734 3.960 0.000 0.000 0.685 587 G HA3 -0.226 3.734 3.960 0.000 0.000 0.685 587 G C -0.310 174.217 174.900 -0.622 0.000 1.437 587 G CA -0.403 44.207 45.100 -0.816 0.000 0.872 587 G HN 0.199 nan 8.290 nan 0.000 0.566 588 D N 0.479 120.474 120.400 -0.676 0.000 2.218 588 D HA -0.094 4.546 4.640 0.000 0.000 0.204 588 D C 2.489 178.512 176.300 -0.461 0.000 0.976 588 D CA 1.494 55.057 54.000 -0.728 0.000 0.853 588 D CB 0.018 40.361 40.800 -0.762 0.000 0.939 588 D HN 0.731 nan 8.370 nan 0.000 0.481 589 K N 0.857 121.050 120.400 -0.346 0.000 2.147 589 K HA -0.112 4.208 4.320 0.000 0.000 0.205 589 K C 2.012 178.532 176.600 -0.133 0.000 1.049 589 K CA 0.932 57.103 56.287 -0.193 0.000 0.936 589 K CB -0.314 32.093 32.500 -0.156 0.000 0.722 589 K HN 0.215 nan 8.250 nan 0.000 0.446 590 I N 0.728 121.203 120.570 -0.158 0.000 2.339 590 I HA -0.121 4.049 4.170 0.000 0.000 0.245 590 I C 2.847 178.936 176.117 -0.047 0.000 1.096 590 I CA 0.653 61.924 61.300 -0.047 0.000 1.408 590 I CB -0.138 37.847 38.000 -0.025 0.000 1.092 590 I HN 0.140 nan 8.210 nan 0.000 0.423 591 M N 0.412 119.906 119.600 -0.176 0.000 2.059 591 M HA -0.238 4.242 4.480 0.000 0.000 0.259 591 M C 2.025 178.333 176.300 0.013 0.000 1.072 591 M CA 2.043 57.259 55.300 -0.141 0.000 1.117 591 M CB -0.372 32.028 32.600 -0.333 0.000 1.320 591 M HN 0.244 nan 8.290 nan 0.000 0.408 592 H N -0.586 118.383 119.070 -0.170 0.000 2.563 592 H HA 0.108 4.664 4.556 0.000 0.000 0.272 592 H C 1.717 177.068 175.328 0.038 0.000 1.005 592 H CA 0.095 56.061 56.048 -0.136 0.000 1.171 592 H CB -0.005 29.586 29.762 -0.285 0.000 1.351 592 H HN 0.522 nan 8.280 nan 0.000 0.602 593 A N 1.374 124.289 122.820 0.158 0.000 2.125 593 A HA -0.100 4.220 4.320 0.000 0.000 0.219 593 A C 1.935 179.705 177.584 0.311 0.000 1.156 593 A CA 0.943 53.074 52.037 0.156 0.000 0.671 593 A CB -0.622 18.414 19.000 0.060 0.000 0.794 593 A HN 0.603 nan 8.150 nan 0.000 0.459 594 I N -3.764 116.992 120.570 0.311 0.000 3.974 594 I HA 0.211 4.381 4.170 0.000 0.000 0.334 594 I C 0.296 176.554 176.117 0.235 0.000 1.437 594 I CA -0.592 60.885 61.300 0.295 0.000 1.113 594 I CB -0.398 37.745 38.000 0.238 0.000 1.063 594 I HN 0.158 nan 8.210 nan 0.000 0.400 595 N N 2.916 121.786 118.700 0.283 0.000 2.412 595 N HA -0.043 4.697 4.740 0.000 0.000 0.254 595 N C 0.298 175.886 175.510 0.130 0.000 1.232 595 N CA 0.305 53.520 53.050 0.276 0.000 0.880 595 N CB 0.391 39.008 38.487 0.217 0.000 1.076 595 N HN 0.383 nan 8.380 nan 0.000 0.458 596 R N 0.365 120.923 120.500 0.098 0.000 4.024 596 R HA -0.234 4.106 4.340 0.000 0.000 0.372 596 R C 0.082 176.355 176.300 -0.046 0.000 1.192 596 R CA 1.203 57.322 56.100 0.033 0.000 1.183 596 R CB -0.944 29.377 30.300 0.035 0.000 1.672 596 R HN 0.591 nan 8.270 nan 0.000 0.571 597 R N 0.618 121.080 120.500 -0.064 0.000 2.734 597 R HA 0.234 4.574 4.340 0.000 0.000 0.395 597 R C -0.878 175.445 176.300 0.038 0.000 1.096 597 R CA -0.423 55.508 56.100 -0.281 0.000 1.071 597 R CB 0.458 30.580 30.300 -0.296 0.000 1.348 597 R HN -0.087 nan 8.270 nan 0.000 0.600 598 L N -0.012 121.328 121.223 0.194 0.000 2.506 598 L HA 0.232 4.572 4.340 0.000 0.000 0.281 598 L C 1.508 178.639 176.870 0.436 0.000 1.228 598 L CA 1.844 56.824 54.840 0.233 0.000 0.850 598 L CB 0.726 42.740 42.059 -0.075 0.000 1.110 598 L HN 0.650 nan 8.230 nan 0.000 0.496 599 G N 0.919 109.987 108.800 0.447 0.000 2.143 599 G HA2 -0.318 3.642 3.960 0.000 0.000 0.248 599 G HA3 -0.318 3.642 3.960 0.000 0.000 0.248 599 G C 0.570 175.558 174.900 0.147 0.000 0.991 599 G CA 1.048 46.353 45.100 0.343 0.000 0.689 599 G HN 0.926 nan 8.290 nan 0.000 0.522 600 T N -3.406 111.204 114.554 0.094 0.000 3.066 600 T HA 0.481 4.831 4.350 0.000 0.000 0.176 600 T C 1.640 176.325 174.700 -0.025 0.000 0.826 600 T CA 0.868 62.916 62.100 -0.085 0.000 1.280 600 T CB -0.125 68.525 68.868 -0.363 0.000 2.214 600 T HN 0.176 nan 8.240 nan 0.000 0.399 601 F N 3.567 123.564 119.950 0.079 0.000 2.147 601 F HA -0.065 4.462 4.527 0.000 0.000 0.301 601 F C 2.793 178.635 175.800 0.071 0.000 1.084 601 F CA 1.595 59.632 58.000 0.061 0.000 1.268 601 F CB -0.736 38.298 39.000 0.058 0.000 1.009 601 F HN 0.561 nan 8.300 nan 0.000 0.486 602 E N 1.248 121.614 120.200 0.276 0.000 2.150 602 E HA -0.144 4.206 4.350 0.000 0.000 0.193 602 E C 2.193 178.903 176.600 0.184 0.000 0.985 602 E CA 1.745 58.282 56.400 0.227 0.000 0.814 602 E CB -1.173 28.672 29.700 0.242 0.000 0.752 602 E HN 0.389 nan 8.360 nan 0.000 0.466 603 V N -0.489 119.504 119.914 0.132 0.000 2.446 603 V HA -0.070 4.050 4.120 0.000 0.000 0.244 603 V C 1.969 178.095 176.094 0.054 0.000 1.039 603 V CA 1.599 63.931 62.300 0.054 0.000 1.045 603 V CB -0.412 31.386 31.823 -0.042 0.000 0.681 603 V HN -0.020 nan 8.190 nan 0.000 0.459 604 E N 0.897 121.143 120.200 0.075 0.000 2.110 604 E HA -0.167 4.184 4.350 0.000 0.000 0.193 604 E C 1.918 178.547 176.600 0.048 0.000 0.988 604 E CA 1.749 58.189 56.400 0.067 0.000 0.804 604 E CB -0.302 29.458 29.700 0.100 0.000 0.745 604 E HN 0.660 nan 8.360 nan 0.000 0.458 605 D N -0.217 120.230 120.400 0.078 0.000 2.218 605 D HA -0.143 4.497 4.640 0.000 0.000 0.204 605 D C 1.821 178.127 176.300 0.010 0.000 0.976 605 D CA 0.759 54.780 54.000 0.034 0.000 0.853 605 D CB -0.055 40.806 40.800 0.101 0.000 0.939 605 D HN 0.056 nan 8.370 nan 0.000 0.481 606 Q N 0.242 120.101 119.800 0.098 0.000 2.049 606 Q HA 0.017 4.357 4.340 0.000 0.000 0.198 606 Q C 2.182 178.206 176.000 0.041 0.000 0.971 606 Q CA 0.840 56.710 55.803 0.113 0.000 0.833 606 Q CB -0.196 28.636 28.738 0.156 0.000 0.896 606 Q HN 0.295 nan 8.270 nan 0.000 0.434 607 I N 0.504 121.122 120.570 0.080 0.000 2.208 607 I HA -0.271 3.899 4.170 0.000 0.000 0.245 607 I C 2.217 178.296 176.117 -0.062 0.000 1.097 607 I CA 1.130 62.514 61.300 0.139 0.000 1.363 607 I CB -0.366 37.703 38.000 0.115 0.000 1.051 607 I HN 0.251 nan 8.210 nan 0.000 0.413 608 E N 1.353 121.463 120.200 -0.151 0.000 2.038 608 E HA -0.223 4.127 4.350 0.000 0.000 0.195 608 E C 2.278 178.590 176.600 -0.480 0.000 1.000 608 E CA 1.799 58.041 56.400 -0.262 0.000 0.803 608 E CB -0.428 29.127 29.700 -0.242 0.000 0.750 608 E HN 0.434 nan 8.360 nan 0.000 0.448 609 A N 1.165 123.542 122.820 -0.739 0.000 1.903 609 A HA -0.242 4.078 4.320 0.000 0.000 0.219 609 A C 2.460 179.333 177.584 -1.184 0.000 1.191 609 A CA 3.012 54.306 52.037 -1.237 0.000 0.638 609 A CB -1.025 17.023 19.000 -1.587 0.000 0.823 609 A HN 0.348 nan 8.150 nan 0.000 0.451 610 A N -0.344 122.142 122.820 -0.556 0.000 1.873 610 A HA -0.239 4.081 4.320 0.000 0.000 0.218 610 A C 2.246 179.600 177.584 -0.384 0.000 1.193 610 A CA 1.783 53.625 52.037 -0.326 0.000 0.629 610 A CB -0.591 18.259 19.000 -0.249 0.000 0.826 610 A HN 0.585 nan 8.150 nan 0.000 0.447 611 R N -0.868 119.415 120.500 -0.361 0.000 2.096 611 R HA -0.174 4.166 4.340 0.000 0.000 0.240 611 R C 2.426 178.542 176.300 -0.307 0.000 1.139 611 R CA 1.568 57.497 56.100 -0.285 0.000 0.952 611 R CB -0.435 29.728 30.300 -0.228 0.000 0.854 611 R HN 0.603 nan 8.270 nan 0.000 0.436 612 Q N -0.118 119.416 119.800 -0.445 0.000 2.135 612 Q HA -0.156 4.184 4.340 0.000 0.000 0.204 612 Q C 2.055 177.859 176.000 -0.328 0.000 0.981 612 Q CA 1.462 57.011 55.803 -0.424 0.000 0.856 612 Q CB -0.253 28.140 28.738 -0.576 0.000 0.902 612 Q HN 0.317 nan 8.270 nan 0.000 0.425 613 F N 0.943 120.719 119.950 -0.291 0.000 2.186 613 F HA -0.082 4.445 4.527 0.000 0.000 0.299 613 F C 2.565 178.166 175.800 -0.331 0.000 1.090 613 F CA 0.630 58.441 58.000 -0.316 0.000 1.307 613 F CB -1.015 37.843 39.000 -0.237 0.000 1.019 613 F HN -0.061 nan 8.300 nan 0.000 0.489 614 S N 0.255 115.888 115.700 -0.112 0.000 2.353 614 S HA -0.192 4.278 4.470 0.000 0.000 0.222 614 S C 2.107 176.606 174.600 -0.169 0.000 1.035 614 S CA 1.112 59.224 58.200 -0.147 0.000 1.025 614 S CB -0.264 62.851 63.200 -0.142 0.000 0.902 614 S HN 0.195 nan 8.310 nan 0.000 0.440 615 K N 1.358 121.662 120.400 -0.159 0.000 2.107 615 K HA -0.088 4.232 4.320 0.000 0.000 0.211 615 K C 1.919 178.424 176.600 -0.159 0.000 1.049 615 K CA 1.395 57.598 56.287 -0.139 0.000 0.927 615 K CB -0.702 31.722 32.500 -0.127 0.000 0.714 615 K HN 0.471 nan 8.250 nan 0.000 0.452 616 M N -1.063 118.395 119.600 -0.236 0.000 2.435 616 M HA -0.130 4.350 4.480 0.000 0.000 0.262 616 M C 1.558 177.623 176.300 -0.391 0.000 1.065 616 M CA 1.519 56.622 55.300 -0.328 0.000 1.076 616 M CB -0.311 31.983 32.600 -0.511 0.000 1.403 616 M HN 0.498 nan 8.290 nan 0.000 0.454 617 G N 0.628 109.219 108.800 -0.348 0.000 2.317 617 G HA2 -0.301 3.659 3.960 0.000 0.000 0.227 617 G HA3 -0.301 3.659 3.960 0.000 0.000 0.227 617 G C 0.510 175.370 174.900 -0.066 0.000 1.042 617 G CA 0.243 45.255 45.100 -0.146 0.000 0.623 617 G HN 0.579 nan 8.290 nan 0.000 0.509 618 F N 1.357 121.375 119.950 0.114 0.000 2.663 618 F HA 0.753 5.280 4.527 0.000 0.000 0.299 618 F C 0.292 176.224 175.800 0.221 0.000 1.143 618 F CA -1.072 57.043 58.000 0.191 0.000 1.387 618 F CB -0.041 39.144 39.000 0.308 0.000 1.019 618 F HN 0.096 nan 8.300 nan 0.000 0.523 619 V N 1.167 121.094 119.914 0.022 0.000 2.459 619 V HA 0.168 4.288 4.120 0.000 0.000 0.295 619 V C -0.463 175.629 176.094 -0.004 0.000 1.029 619 V CA -0.954 61.370 62.300 0.041 0.000 0.874 619 V CB 1.634 33.417 31.823 -0.067 0.000 0.985 619 V HN 0.085 nan 8.190 nan 0.000 0.438 620 D N 3.890 124.280 120.400 -0.016 0.000 2.342 620 D HA 0.041 4.681 4.640 0.000 0.000 0.260 620 D C 1.245 177.498 176.300 -0.078 0.000 1.278 620 D CA 0.599 54.559 54.000 -0.065 0.000 0.910 620 D CB 0.271 41.004 40.800 -0.111 0.000 1.079 620 D HN 0.603 nan 8.370 nan 0.000 0.496 621 N N 2.784 121.441 118.700 -0.071 0.000 2.073 621 N HA -0.265 4.475 4.740 0.000 0.000 0.199 621 N C 0.548 176.017 175.510 -0.068 0.000 1.023 621 N CA 1.445 54.449 53.050 -0.077 0.000 0.880 621 N CB 0.145 38.591 38.487 -0.068 0.000 1.052 621 N HN 0.369 nan 8.380 nan 0.000 0.449 622 K N 0.549 120.919 120.400 -0.051 0.000 2.504 622 K HA 0.163 4.483 4.320 0.000 0.000 0.199 622 K C 0.097 176.698 176.600 0.003 0.000 1.028 622 K CA 0.361 56.634 56.287 -0.022 0.000 1.164 622 K CB 0.475 32.966 32.500 -0.014 0.000 0.877 622 K HN 0.090 nan 8.250 nan 0.000 0.508 623 R N 1.101 121.581 120.500 -0.034 0.000 2.638 623 R HA 0.317 4.657 4.340 0.000 0.000 0.269 623 R C -0.945 175.344 176.300 -0.018 0.000 1.393 623 R CA -0.157 55.922 56.100 -0.036 0.000 1.531 623 R CB 0.435 30.555 30.300 -0.300 0.000 1.327 623 R HN 0.114 nan 8.270 nan 0.000 0.709 624 I N 1.113 121.753 120.570 0.116 0.000 2.354 624 I HA 0.513 4.683 4.170 0.000 0.000 0.292 624 I C 0.254 176.641 176.117 0.450 0.000 0.989 624 I CA -0.653 60.754 61.300 0.178 0.000 1.188 624 I CB 1.792 39.723 38.000 -0.114 0.000 1.342 624 I HN 0.210 nan 8.210 nan 0.000 0.457 625 A N 7.220 130.414 122.820 0.623 0.000 2.350 625 A HA 0.909 5.229 4.320 0.000 0.000 0.318 625 A C -0.986 176.972 177.584 0.622 0.000 1.132 625 A CA -0.642 51.751 52.037 0.593 0.000 0.811 625 A CB 1.880 21.105 19.000 0.375 0.000 1.313 625 A HN 0.737 nan 8.150 nan 0.000 0.454 626 I N 0.746 121.595 120.570 0.464 0.000 2.722 626 I HA 0.702 4.872 4.170 0.000 0.000 0.295 626 I C -1.893 174.479 176.117 0.424 0.000 1.161 626 I CA -0.561 60.943 61.300 0.339 0.000 1.032 626 I CB 1.652 39.583 38.000 -0.115 0.000 1.244 626 I HN 0.929 nan 8.210 nan 0.000 0.421 627 W N 7.038 128.472 121.300 0.223 0.000 3.213 627 W HA 0.835 5.495 4.660 0.000 0.000 0.318 627 W C -1.446 175.228 176.519 0.259 0.000 1.248 627 W CA -0.910 56.577 57.345 0.235 0.000 1.187 627 W CB 1.009 30.659 29.460 0.316 0.000 1.403 627 W HN 0.842 nan 8.180 nan 0.000 0.556 628 G N 0.854 109.567 108.800 -0.145 0.000 2.466 628 G HA2 0.466 4.426 3.960 0.000 0.000 0.291 628 G HA3 0.466 4.426 3.960 0.000 0.000 0.291 628 G C -2.885 172.009 174.900 -0.010 0.000 1.460 628 G CA -0.727 44.155 45.100 -0.363 0.000 0.791 628 G HN 0.674 nan 8.290 nan 0.000 0.505 629 W N 0.897 122.120 121.300 -0.128 0.000 2.915 629 W HA 0.603 5.263 4.660 0.000 0.000 0.337 629 W C 0.735 177.327 176.519 0.122 0.000 1.102 629 W CA 0.358 57.705 57.345 0.003 0.000 1.224 629 W CB 1.607 31.069 29.460 0.003 0.000 1.416 629 W HN 1.292 nan 8.180 nan 0.000 0.503 630 S N 1.973 117.990 115.700 0.527 0.000 4.059 630 S HA -0.434 4.036 4.470 0.000 0.000 0.624 630 S C 0.851 175.533 174.600 0.136 0.000 2.019 630 S CA 1.550 59.984 58.200 0.389 0.000 4.197 630 S CB -1.585 61.952 63.200 0.562 0.000 0.215 630 S HN 0.775 nan 8.310 nan 0.000 0.609 631 Y N 3.027 123.272 120.300 -0.091 0.000 2.139 631 Y HA -0.178 4.372 4.550 0.000 0.000 0.282 631 Y C 2.501 178.325 175.900 -0.127 0.000 1.179 631 Y CA 2.540 60.528 58.100 -0.187 0.000 1.161 631 Y CB -1.107 37.060 38.460 -0.488 0.000 0.970 631 Y HN 0.605 nan 8.280 nan 0.000 0.511 632 G N -1.112 107.710 108.800 0.037 0.000 2.469 632 G HA2 -0.283 3.677 3.960 0.000 0.000 0.220 632 G HA3 -0.283 3.677 3.960 0.000 0.000 0.220 632 G C 1.915 176.857 174.900 0.070 0.000 1.136 632 G CA 0.912 46.065 45.100 0.088 0.000 0.759 632 G HN 0.610 nan 8.290 nan 0.000 0.562 633 G N -0.414 108.436 108.800 0.084 0.000 2.403 633 G HA2 -0.178 3.782 3.960 0.000 0.000 0.216 633 G HA3 -0.178 3.782 3.960 0.000 0.000 0.216 633 G C 1.610 176.532 174.900 0.037 0.000 1.154 633 G CA 1.038 46.170 45.100 0.054 0.000 0.784 633 G HN 0.421 nan 8.290 nan 0.000 0.538 634 Y N 1.525 121.728 120.300 -0.161 0.000 2.114 634 Y HA -0.147 4.403 4.550 0.000 0.000 0.284 634 Y C 2.751 178.545 175.900 -0.177 0.000 1.143 634 Y CA 1.656 59.599 58.100 -0.262 0.000 1.135 634 Y CB -0.530 37.613 38.460 -0.527 0.000 0.980 634 Y HN 0.031 nan 8.280 nan 0.000 0.499 635 V N -0.126 119.653 119.914 -0.224 0.000 2.261 635 V HA -0.349 3.771 4.120 0.000 0.000 0.246 635 V C 2.326 178.298 176.094 -0.203 0.000 1.047 635 V CA 2.504 64.661 62.300 -0.238 0.000 1.015 635 V CB -1.355 30.484 31.823 0.025 0.000 0.642 635 V HN 0.502 nan 8.190 nan 0.000 0.446 636 T N 0.169 114.664 114.554 -0.099 0.000 2.620 636 T HA -0.269 4.081 4.350 0.000 0.000 0.267 636 T C 2.107 176.738 174.700 -0.115 0.000 1.044 636 T CA 2.230 64.280 62.100 -0.082 0.000 1.161 636 T CB -0.407 68.491 68.868 0.050 0.000 0.862 636 T HN 0.523 nan 8.240 nan 0.000 0.438 637 S N 0.943 116.607 115.700 -0.059 0.000 2.356 637 S HA -0.048 4.422 4.470 0.000 0.000 0.223 637 S C 2.180 176.682 174.600 -0.163 0.000 1.032 637 S CA 1.043 59.226 58.200 -0.030 0.000 1.005 637 S CB -0.342 62.888 63.200 0.051 0.000 0.867 637 S HN 0.304 nan 8.310 nan 0.000 0.449 638 M N 1.029 120.443 119.600 -0.309 0.000 2.080 638 M HA -0.076 4.404 4.480 0.000 0.000 0.260 638 M C 2.258 178.387 176.300 -0.285 0.000 1.068 638 M CA 1.208 56.306 55.300 -0.337 0.000 1.109 638 M CB -1.561 30.725 32.600 -0.523 0.000 1.342 638 M HN 0.180 nan 8.290 nan 0.000 0.405 639 V N 0.696 120.434 119.914 -0.294 0.000 2.261 639 V HA -0.268 3.852 4.120 0.000 0.000 0.246 639 V C 2.565 178.444 176.094 -0.359 0.000 1.047 639 V CA 1.585 63.704 62.300 -0.302 0.000 1.015 639 V CB -0.711 30.866 31.823 -0.409 0.000 0.642 639 V HN 0.420 nan 8.190 nan 0.000 0.446 640 L N 0.411 121.361 121.223 -0.456 0.000 2.187 640 L HA -0.115 4.225 4.340 0.000 0.000 0.213 640 L C 2.366 178.698 176.870 -0.897 0.000 1.100 640 L CA 1.554 56.035 54.840 -0.599 0.000 0.765 640 L CB -0.870 40.802 42.059 -0.645 0.000 0.904 640 L HN 0.508 nan 8.230 nan 0.000 0.437 641 G N -1.215 107.087 108.800 -0.830 0.000 2.813 641 G HA2 -0.128 3.832 3.960 0.000 0.000 0.209 641 G HA3 -0.128 3.832 3.960 0.000 0.000 0.209 641 G C 1.578 176.305 174.900 -0.287 0.000 1.150 641 G CA 0.668 45.380 45.100 -0.647 0.000 0.785 641 G HN 0.477 nan 8.290 nan 0.000 0.535 642 S N -0.344 115.214 115.700 -0.236 0.000 2.558 642 S HA 0.319 4.789 4.470 0.000 0.000 0.217 642 S C 1.703 176.250 174.600 -0.089 0.000 0.975 642 S CA 0.756 58.882 58.200 -0.124 0.000 0.912 642 S CB -0.176 62.968 63.200 -0.093 0.000 0.776 642 S HN 1.275 nan 8.310 nan 0.000 0.526 643 G N 2.041 110.772 108.800 -0.114 0.000 2.393 643 G HA2 -0.282 3.678 3.960 0.000 0.000 0.299 643 G HA3 -0.282 3.678 3.960 0.000 0.000 0.299 643 G C 0.564 175.449 174.900 -0.026 0.000 0.990 643 G CA 0.556 45.618 45.100 -0.064 0.000 1.118 643 G HN 1.249 nan 8.290 nan 0.000 0.513 644 S N -0.825 114.874 115.700 -0.002 0.000 2.575 644 S HA 0.392 4.862 4.470 0.000 0.000 0.215 644 S C 2.240 176.848 174.600 0.014 0.000 0.966 644 S CA 0.950 59.159 58.200 0.015 0.000 0.911 644 S CB 0.341 63.570 63.200 0.048 0.000 0.780 644 S HN 2.279 nan 8.310 nan 0.000 0.514 645 G N 0.956 109.770 108.800 0.023 0.000 2.200 645 G HA2 -0.314 3.646 3.960 0.000 0.000 0.268 645 G HA3 -0.314 3.646 3.960 0.000 0.000 0.268 645 G C 0.771 175.666 174.900 -0.008 0.000 0.986 645 G CA 0.619 45.728 45.100 0.016 0.000 0.677 645 G HN 0.640 nan 8.290 nan 0.000 0.532 646 V N -1.032 118.867 119.914 -0.024 0.000 2.548 646 V HA 0.220 4.340 4.120 0.000 0.000 0.249 646 V C 1.165 177.040 176.094 -0.365 0.000 1.055 646 V CA 1.415 63.573 62.300 -0.236 0.000 1.065 646 V CB -0.315 31.277 31.823 -0.386 0.000 0.681 646 V HN 0.335 nan 8.190 nan 0.000 0.462 647 F N -0.420 119.543 119.950 0.021 0.000 2.443 647 F HA 0.397 4.924 4.527 0.000 0.000 0.335 647 F C 1.064 176.907 175.800 0.072 0.000 1.104 647 F CA -0.549 57.490 58.000 0.066 0.000 1.013 647 F CB 1.545 40.586 39.000 0.068 0.000 1.136 647 F HN -0.288 nan 8.300 nan 0.000 0.470 648 K N 1.487 122.051 120.400 0.273 0.000 2.186 648 K HA 0.122 4.442 4.320 0.000 0.000 0.202 648 K C -0.331 176.400 176.600 0.220 0.000 1.052 648 K CA 0.844 57.254 56.287 0.205 0.000 0.965 648 K CB 0.233 32.854 32.500 0.203 0.000 0.746 648 K HN 0.798 nan 8.250 nan 0.000 0.457 649 c N -3.225 115.549 118.600 0.289 0.000 3.275 649 c HA 0.791 5.361 4.570 0.000 0.000 0.345 649 c C -0.349 173.968 174.090 0.379 0.000 1.257 649 c CA -0.772 55.749 56.329 0.319 0.000 1.203 649 c CB 0.979 43.628 42.510 0.231 0.000 1.492 649 c HN 0.304 nan 8.230 nan 0.000 0.484 650 G N 0.182 109.258 108.800 0.460 0.000 2.692 650 G HA2 0.789 4.749 3.960 0.000 0.000 0.291 650 G HA3 0.789 4.749 3.960 0.000 0.000 0.291 650 G C -1.820 173.297 174.900 0.361 0.000 1.423 650 G CA -0.835 44.513 45.100 0.413 0.000 0.843 650 G HN 1.079 nan 8.290 nan 0.000 0.486 651 I N 0.631 121.378 120.570 0.295 0.000 2.436 651 I HA 0.598 4.768 4.170 0.000 0.000 0.289 651 I C 0.140 176.360 176.117 0.172 0.000 1.010 651 I CA -1.007 60.340 61.300 0.079 0.000 1.098 651 I CB 2.204 40.235 38.000 0.051 0.000 1.266 651 I HN 0.596 nan 8.210 nan 0.000 0.434 652 A N 6.586 129.408 122.820 0.003 0.000 2.273 652 A HA 0.731 5.051 4.320 0.000 0.000 0.315 652 A C -0.573 176.928 177.584 -0.138 0.000 1.256 652 A CA -0.500 51.552 52.037 0.025 0.000 0.851 652 A CB 0.922 19.994 19.000 0.120 0.000 1.172 652 A HN 0.467 nan 8.150 nan 0.000 0.508 653 V N 2.231 122.025 119.914 -0.200 0.000 2.394 653 V HA 0.546 4.666 4.120 0.000 0.000 0.282 653 V C 1.024 176.723 176.094 -0.658 0.000 1.031 653 V CA 0.299 62.248 62.300 -0.585 0.000 0.881 653 V CB 0.682 31.845 31.823 -1.101 0.000 0.982 653 V HN 2.016 nan 8.190 nan 0.000 0.451 654 A N 5.675 128.090 122.820 -0.674 0.000 2.511 654 A HA -0.109 4.211 4.320 0.000 0.000 0.297 654 A C -1.699 175.754 177.584 -0.217 0.000 1.476 654 A CA 0.343 51.941 52.037 -0.731 0.000 0.757 654 A CB -1.587 17.034 19.000 -0.633 0.000 1.072 654 A HN 0.637 nan 8.150 nan 0.000 0.413 655 P HA 0.397 nan 4.420 nan 0.000 0.277 655 P C 0.140 177.400 177.300 -0.068 0.000 1.240 655 P CA -0.177 62.902 63.100 -0.035 0.000 0.798 655 P CB 1.157 32.858 31.700 0.001 0.000 0.979 656 V N 2.245 122.025 119.914 -0.224 0.000 2.583 656 V HA 0.078 4.198 4.120 0.000 0.000 0.287 656 V C 1.754 177.637 176.094 -0.351 0.000 1.051 656 V CA 0.829 62.854 62.300 -0.458 0.000 1.010 656 V CB 0.674 31.848 31.823 -1.081 0.000 0.988 656 V HN 0.816 nan 8.190 nan 0.000 0.478 657 S N 4.224 119.771 115.700 -0.254 0.000 2.599 657 S HA 0.225 4.695 4.470 0.000 0.000 0.236 657 S C 0.536 174.987 174.600 -0.248 0.000 1.077 657 S CA -0.372 57.748 58.200 -0.133 0.000 0.906 657 S CB 0.310 63.496 63.200 -0.022 0.000 0.804 657 S HN 0.825 nan 8.310 nan 0.000 0.497 658 R N -1.266 118.998 120.500 -0.395 0.000 2.584 658 R HA 0.529 4.869 4.340 0.000 0.000 0.276 658 R C -0.766 175.196 176.300 -0.563 0.000 1.046 658 R CA -0.919 54.857 56.100 -0.540 0.000 0.906 658 R CB 0.042 30.055 30.300 -0.477 0.000 1.215 658 R HN 0.148 nan 8.270 nan 0.000 0.449 659 W N 1.225 122.386 121.300 -0.231 0.000 2.364 659 W HA -0.067 4.593 4.660 0.000 0.000 0.281 659 W C 1.158 177.746 176.519 0.114 0.000 1.219 659 W CA 0.966 58.258 57.345 -0.089 0.000 1.220 659 W CB 0.161 29.488 29.460 -0.223 0.000 1.127 659 W HN 0.753 nan 8.180 nan 0.000 0.556 660 E N -0.964 119.371 120.200 0.224 0.000 2.331 660 E HA -0.219 4.131 4.350 0.000 0.000 0.199 660 E C 1.370 178.071 176.600 0.169 0.000 1.008 660 E CA 1.052 57.529 56.400 0.129 0.000 0.843 660 E CB -0.263 29.413 29.700 -0.040 0.000 0.761 660 E HN 0.399 nan 8.360 nan 0.000 0.507 661 Y N -1.562 118.837 120.300 0.164 0.000 2.448 661 Y HA 0.039 4.589 4.550 0.000 0.000 0.289 661 Y C 0.898 176.912 175.900 0.189 0.000 1.114 661 Y CA -0.253 57.918 58.100 0.119 0.000 1.235 661 Y CB -0.577 37.895 38.460 0.020 0.000 1.045 661 Y HN 0.022 nan 8.280 nan 0.000 0.554 662 Y N 2.462 122.919 120.300 0.262 0.000 2.281 662 Y HA 0.205 4.755 4.550 0.000 0.000 0.337 662 Y C 0.455 176.554 175.900 0.332 0.000 1.304 662 Y CA -1.727 56.527 58.100 0.256 0.000 1.465 662 Y CB 0.161 38.813 38.460 0.319 0.000 1.350 662 Y HN 0.238 nan 8.280 nan 0.000 0.575 663 D N -0.578 119.544 120.400 -0.464 0.000 2.382 663 D HA 0.104 4.744 4.640 0.000 0.000 0.240 663 D C 0.942 177.192 176.300 -0.083 0.000 1.146 663 D CA 0.329 54.116 54.000 -0.354 0.000 0.897 663 D CB 0.803 41.224 40.800 -0.632 0.000 1.197 663 D HN 0.460 nan 8.370 nan 0.000 0.432 664 S N 0.980 116.652 115.700 -0.046 0.000 2.356 664 S HA -0.207 4.263 4.470 0.000 0.000 0.223 664 S C 1.927 176.537 174.600 0.018 0.000 1.032 664 S CA 1.031 59.258 58.200 0.045 0.000 1.005 664 S CB -0.955 62.278 63.200 0.056 0.000 0.867 664 S HN 0.416 nan 8.310 nan 0.000 0.449 665 V N 0.780 120.642 119.914 -0.087 0.000 2.332 665 V HA -0.183 3.937 4.120 0.000 0.000 0.248 665 V C 2.280 178.274 176.094 -0.168 0.000 1.055 665 V CA 2.272 64.434 62.300 -0.230 0.000 1.038 665 V CB -1.011 30.526 31.823 -0.477 0.000 0.651 665 V HN 0.591 nan 8.190 nan 0.000 0.450 666 Y N 1.229 121.446 120.300 -0.139 0.000 2.114 666 Y HA -0.216 4.334 4.550 0.000 0.000 0.284 666 Y C 2.800 178.685 175.900 -0.025 0.000 1.119 666 Y CA 2.329 60.428 58.100 -0.003 0.000 1.108 666 Y CB -0.744 37.906 38.460 0.316 0.000 0.995 666 Y HN 0.197 nan 8.280 nan 0.000 0.491 667 T N 0.464 115.263 114.554 0.408 0.000 2.653 667 T HA -0.256 4.094 4.350 0.000 0.000 0.268 667 T C 1.569 176.250 174.700 -0.031 0.000 1.035 667 T CA 2.154 64.374 62.100 0.200 0.000 1.154 667 T CB -0.362 68.732 68.868 0.376 0.000 0.862 667 T HN 0.454 nan 8.240 nan 0.000 0.441 668 E N 0.260 120.458 120.200 -0.003 0.000 2.208 668 E HA -0.038 4.312 4.350 0.000 0.000 0.193 668 E C 2.316 178.795 176.600 -0.201 0.000 0.988 668 E CA 0.328 56.719 56.400 -0.015 0.000 0.828 668 E CB -0.113 29.620 29.700 0.055 0.000 0.763 668 E HN 0.359 nan 8.360 nan 0.000 0.478 669 R N 0.164 120.392 120.500 -0.455 0.000 2.159 669 R HA -0.200 4.140 4.340 0.000 0.000 0.237 669 R C 1.043 176.743 176.300 -1.000 0.000 1.131 669 R CA 1.561 57.178 56.100 -0.806 0.000 0.982 669 R CB 0.008 29.565 30.300 -1.238 0.000 0.868 669 R HN 0.245 nan 8.270 nan 0.000 0.453 670 Y N -2.243 117.770 120.300 -0.479 0.000 2.535 670 Y HA 0.245 4.795 4.550 0.000 0.000 0.266 670 Y C 1.808 177.556 175.900 -0.254 0.000 1.088 670 Y CA -0.050 57.771 58.100 -0.464 0.000 1.285 670 Y CB 0.369 38.460 38.460 -0.614 0.000 1.166 670 Y HN -0.058 nan 8.280 nan 0.000 0.525 671 M N -0.410 119.116 119.600 -0.123 0.000 2.367 671 M HA 0.358 4.838 4.480 0.000 0.000 0.256 671 M C 1.112 177.464 176.300 0.087 0.000 1.091 671 M CA 0.896 56.132 55.300 -0.105 0.000 1.049 671 M CB -0.206 32.133 32.600 -0.434 0.000 1.406 671 M HN 0.376 nan 8.290 nan 0.000 0.498 672 G N 1.842 110.691 108.800 0.082 0.000 2.598 672 G HA2 -0.212 3.748 3.960 0.000 0.000 0.244 672 G HA3 -0.212 3.748 3.960 0.000 0.000 0.244 672 G C -0.758 174.272 174.900 0.217 0.000 1.302 672 G CA -0.808 44.366 45.100 0.124 0.000 0.903 672 G HN 0.218 nan 8.290 nan 0.000 0.575 673 L N 2.508 123.820 121.223 0.149 0.000 2.334 673 L HA 0.515 4.855 4.340 0.000 0.000 0.277 673 L C -1.316 175.518 176.870 -0.060 0.000 1.075 673 L CA -2.026 52.845 54.840 0.052 0.000 0.804 673 L CB 1.109 43.176 42.059 0.013 0.000 1.174 673 L HN 0.423 nan 8.230 nan 0.000 0.438 674 P HA 0.085 nan 4.420 nan 0.000 0.220 674 P C -0.406 176.735 177.300 -0.266 0.000 1.778 674 P CA -0.146 62.532 63.100 -0.702 0.000 0.912 674 P CB -0.466 30.552 31.700 -1.136 0.000 1.861 675 T N -3.467 111.019 114.554 -0.114 0.000 2.940 675 T HA 0.481 4.832 4.350 0.000 0.000 0.288 675 T C -2.155 172.539 174.700 -0.011 0.000 1.033 675 T CA -2.469 59.599 62.100 -0.053 0.000 1.033 675 T CB 1.817 70.665 68.868 -0.032 0.000 1.079 675 T HN -0.290 nan 8.240 nan 0.000 0.496 676 P HA -0.033 nan 4.420 nan 0.000 0.218 676 P C 0.924 178.237 177.300 0.021 0.000 1.148 676 P CA 0.977 64.085 63.100 0.014 0.000 0.822 676 P CB 0.034 31.739 31.700 0.008 0.000 0.784 677 E N -1.224 118.984 120.200 0.014 0.000 2.347 677 E HA -0.097 4.253 4.350 0.000 0.000 0.196 677 E C 1.362 177.977 176.600 0.026 0.000 1.008 677 E CA 0.838 57.248 56.400 0.016 0.000 0.852 677 E CB -0.390 29.315 29.700 0.008 0.000 0.783 677 E HN 0.323 nan 8.360 nan 0.000 0.505 678 D N -0.651 119.770 120.400 0.035 0.000 3.168 678 D HA 0.112 4.752 4.640 0.000 0.000 0.219 678 D C 0.162 176.516 176.300 0.090 0.000 1.310 678 D CA -0.017 54.016 54.000 0.055 0.000 1.348 678 D CB -0.053 40.780 40.800 0.055 0.000 0.925 678 D HN 0.008 nan 8.370 nan 0.000 0.185 679 N N 0.048 118.830 118.700 0.138 0.000 2.299 679 N HA 0.047 4.787 4.740 0.000 0.000 0.246 679 N C 1.253 176.952 175.510 0.316 0.000 1.254 679 N CA -0.119 53.066 53.050 0.225 0.000 0.879 679 N CB 0.757 39.406 38.487 0.270 0.000 1.214 679 N HN -0.004 nan 8.380 nan 0.000 0.510 680 L N 1.146 122.468 121.223 0.165 0.000 2.081 680 L HA -0.182 4.158 4.340 0.000 0.000 0.212 680 L C 1.355 178.333 176.870 0.180 0.000 1.080 680 L CA 2.002 56.911 54.840 0.115 0.000 0.754 680 L CB -0.483 41.587 42.059 0.017 0.000 0.893 680 L HN 0.183 nan 8.230 nan 0.000 0.433 681 D N -1.517 118.976 120.400 0.156 0.000 2.104 681 D HA -0.238 4.402 4.640 0.000 0.000 0.194 681 D C 2.112 178.521 176.300 0.180 0.000 0.994 681 D CA 1.711 55.794 54.000 0.138 0.000 0.830 681 D CB -0.204 40.664 40.800 0.113 0.000 0.959 681 D HN 0.569 nan 8.370 nan 0.000 0.452 682 H N -0.819 118.322 119.070 0.118 0.000 2.462 682 H HA -0.064 4.492 4.556 0.000 0.000 0.292 682 H C 1.629 177.019 175.328 0.103 0.000 1.049 682 H CA 1.157 57.253 56.048 0.080 0.000 1.334 682 H CB -0.304 29.474 29.762 0.027 0.000 1.404 682 H HN 0.151 nan 8.280 nan 0.000 0.544 683 Y N 0.468 120.752 120.300 -0.026 0.000 2.081 683 Y HA -0.234 4.316 4.550 0.000 0.000 0.280 683 Y C 2.531 178.384 175.900 -0.078 0.000 1.163 683 Y CA 1.811 59.886 58.100 -0.042 0.000 1.135 683 Y CB 0.007 38.477 38.460 0.017 0.000 0.970 683 Y HN 0.141 nan 8.280 nan 0.000 0.498 684 R N -0.341 120.231 120.500 0.119 0.000 2.148 684 R HA -0.090 4.250 4.340 0.000 0.000 0.223 684 R C 1.509 177.811 176.300 0.003 0.000 1.088 684 R CA 0.745 56.872 56.100 0.045 0.000 0.985 684 R CB -0.791 29.539 30.300 0.049 0.000 0.880 684 R HN 0.378 nan 8.270 nan 0.000 0.451 685 N N 1.097 119.792 118.700 -0.008 0.000 2.521 685 N HA -0.055 4.685 4.740 0.000 0.000 0.188 685 N C 0.161 175.639 175.510 -0.055 0.000 1.146 685 N CA 0.596 53.646 53.050 0.001 0.000 0.893 685 N CB 0.345 38.887 38.487 0.092 0.000 0.975 685 N HN 0.160 nan 8.380 nan 0.000 0.451 686 S N -1.358 114.263 115.700 -0.133 0.000 2.843 686 S HA 0.084 4.554 4.470 0.000 0.000 0.249 686 S C 0.407 175.011 174.600 0.007 0.000 1.047 686 S CA -0.733 57.411 58.200 -0.093 0.000 1.042 686 S CB -0.203 62.835 63.200 -0.269 0.000 0.936 686 S HN 0.147 nan 8.310 nan 0.000 0.531 687 T N -1.230 113.307 114.554 -0.029 0.000 2.849 687 T HA 0.529 4.879 4.350 0.000 0.000 0.284 687 T C 1.348 176.037 174.700 -0.019 0.000 1.004 687 T CA -0.467 61.607 62.100 -0.042 0.000 1.021 687 T CB 1.171 69.996 68.868 -0.072 0.000 1.013 687 T HN -0.027 nan 8.240 nan 0.000 0.527 688 V N 1.833 121.732 119.914 -0.025 0.000 2.407 688 V HA -0.129 3.991 4.120 0.000 0.000 0.245 688 V C 2.758 178.820 176.094 -0.052 0.000 1.041 688 V CA 1.622 63.899 62.300 -0.039 0.000 1.040 688 V CB -0.825 30.968 31.823 -0.050 0.000 0.671 688 V HN 0.870 nan 8.190 nan 0.000 0.455 689 M N 1.200 120.755 119.600 -0.075 0.000 2.202 689 M HA -0.124 4.356 4.480 0.000 0.000 0.262 689 M C 2.299 178.568 176.300 -0.052 0.000 1.063 689 M CA 2.183 57.429 55.300 -0.090 0.000 1.097 689 M CB -2.010 30.546 32.600 -0.074 0.000 1.382 689 M HN 0.543 nan 8.290 nan 0.000 0.413 690 S N 0.872 116.555 115.700 -0.028 0.000 2.447 690 S HA -0.066 4.404 4.470 0.000 0.000 0.233 690 S C 1.817 176.422 174.600 0.009 0.000 1.006 690 S CA 0.751 58.945 58.200 -0.010 0.000 0.957 690 S CB -0.564 62.632 63.200 -0.008 0.000 0.773 690 S HN 0.574 nan 8.310 nan 0.000 0.507 691 R N 0.945 121.462 120.500 0.028 0.000 2.320 691 R HA 0.430 4.770 4.340 0.000 0.000 0.211 691 R C 2.226 178.636 176.300 0.183 0.000 0.931 691 R CA 0.459 56.605 56.100 0.078 0.000 1.071 691 R CB -0.416 29.924 30.300 0.066 0.000 1.025 691 R HN 0.484 nan 8.270 nan 0.000 0.495 692 A N 1.498 124.368 122.820 0.082 0.000 1.903 692 A HA -0.310 4.010 4.320 0.000 0.000 0.219 692 A C 2.029 179.707 177.584 0.155 0.000 1.191 692 A CA 1.988 54.035 52.037 0.016 0.000 0.638 692 A CB -0.374 18.560 19.000 -0.110 0.000 0.823 692 A HN 0.315 nan 8.150 nan 0.000 0.451 693 E N 0.546 120.804 120.200 0.097 0.000 2.114 693 E HA -0.233 4.117 4.350 0.000 0.000 0.199 693 E C 1.512 178.178 176.600 0.109 0.000 1.008 693 E CA 2.105 58.556 56.400 0.085 0.000 0.810 693 E CB -0.545 29.185 29.700 0.050 0.000 0.739 693 E HN 0.804 nan 8.360 nan 0.000 0.456 694 N N -1.313 117.451 118.700 0.107 0.000 2.515 694 N HA -0.010 4.730 4.740 0.000 0.000 0.185 694 N C 0.683 176.181 175.510 -0.020 0.000 1.109 694 N CA 0.105 53.166 53.050 0.019 0.000 0.903 694 N CB -0.066 38.384 38.487 -0.063 0.000 0.969 694 N HN 0.152 nan 8.380 nan 0.000 0.450 695 F N 1.213 121.122 119.950 -0.068 0.000 2.604 695 F HA 0.045 4.572 4.527 0.000 0.000 0.298 695 F C 1.931 177.736 175.800 0.009 0.000 1.131 695 F CA 0.543 58.498 58.000 -0.074 0.000 1.457 695 F CB 0.097 39.007 39.000 -0.149 0.000 1.095 695 F HN -0.076 nan 8.300 nan 0.000 0.574 696 K N 0.182 120.682 120.400 0.167 0.000 2.360 696 K HA -0.198 4.122 4.320 0.000 0.000 0.201 696 K C 1.165 177.822 176.600 0.095 0.000 1.046 696 K CA 1.160 57.523 56.287 0.126 0.000 0.940 696 K CB -0.128 32.427 32.500 0.092 0.000 0.748 696 K HN 0.441 nan 8.250 nan 0.000 0.465 697 Q N -0.119 119.718 119.800 0.061 0.000 2.219 697 Q HA 0.086 4.426 4.340 0.000 0.000 0.209 697 Q C -0.374 175.661 176.000 0.060 0.000 0.854 697 Q CA -0.267 55.565 55.803 0.047 0.000 0.960 697 Q CB 1.074 29.823 28.738 0.017 0.000 1.116 697 Q HN 0.057 nan 8.270 nan 0.000 0.500 698 V N -3.226 116.739 119.914 0.086 0.000 3.049 698 V HA 0.494 4.614 4.120 0.000 0.000 0.309 698 V C -1.112 175.119 176.094 0.228 0.000 1.148 698 V CA -1.340 61.035 62.300 0.126 0.000 0.990 698 V CB 2.295 34.152 31.823 0.056 0.000 1.039 698 V HN 0.009 nan 8.190 nan 0.000 0.430 699 E N 2.062 122.422 120.200 0.268 0.000 2.259 699 E HA 0.467 4.817 4.350 0.000 0.000 0.281 699 E C -1.670 175.290 176.600 0.599 0.000 1.027 699 E CA -0.279 56.352 56.400 0.385 0.000 0.838 699 E CB 1.435 31.303 29.700 0.281 0.000 1.066 699 E HN 0.686 nan 8.360 nan 0.000 0.401 700 Y N 2.982 123.537 120.300 0.426 0.000 2.462 700 Y HA 0.458 5.008 4.550 0.000 0.000 0.346 700 Y C -1.520 174.455 175.900 0.126 0.000 0.976 700 Y CA -1.284 57.006 58.100 0.316 0.000 1.044 700 Y CB 1.070 39.740 38.460 0.350 0.000 1.230 700 Y HN 0.429 nan 8.280 nan 0.000 0.455 701 L N 7.447 128.315 121.223 -0.592 0.000 2.376 701 L HA 0.496 4.836 4.340 0.000 0.000 0.275 701 L C -1.657 174.726 176.870 -0.811 0.000 0.987 701 L CA -0.787 53.606 54.840 -0.745 0.000 0.828 701 L CB 1.346 42.728 42.059 -1.128 0.000 1.249 701 L HN 0.635 nan 8.230 nan 0.000 0.409 702 L N 6.232 127.104 121.223 -0.584 0.000 2.287 702 L HA 0.589 4.929 4.340 0.000 0.000 0.287 702 L C -0.822 175.926 176.870 -0.204 0.000 1.022 702 L CA -0.490 54.083 54.840 -0.444 0.000 0.814 702 L CB 1.606 43.473 42.059 -0.320 0.000 1.217 702 L HN 0.573 nan 8.230 nan 0.000 0.420 703 I N 3.226 123.687 120.570 -0.182 0.000 2.582 703 I HA 0.422 4.592 4.170 0.000 0.000 0.292 703 I C -1.111 174.983 176.117 -0.038 0.000 1.066 703 I CA -0.751 60.496 61.300 -0.088 0.000 1.053 703 I CB 2.260 40.177 38.000 -0.139 0.000 1.241 703 I HN 0.608 nan 8.210 nan 0.000 0.421 704 H N 2.419 121.522 119.070 0.055 0.000 3.087 704 H HA 0.449 5.005 4.556 0.000 0.000 0.348 704 H C -0.360 175.184 175.328 0.360 0.000 1.092 704 H CA -0.553 55.561 56.048 0.110 0.000 1.285 704 H CB 1.953 31.696 29.762 -0.032 0.000 1.875 704 H HN 0.781 nan 8.280 nan 0.000 0.512 705 G N 1.405 110.510 108.800 0.509 0.000 2.380 705 G HA2 0.189 4.149 3.960 0.000 0.000 0.262 705 G HA3 0.189 4.149 3.960 0.000 0.000 0.262 705 G C 1.194 176.397 174.900 0.505 0.000 1.243 705 G CA 0.180 45.566 45.100 0.478 0.000 0.865 705 G HN 0.762 nan 8.290 nan 0.000 0.513 706 T N -0.376 114.337 114.554 0.265 0.000 2.951 706 T HA 0.051 4.401 4.350 0.000 0.000 0.268 706 T C 1.788 176.453 174.700 -0.059 0.000 1.073 706 T CA 1.330 63.392 62.100 -0.062 0.000 1.134 706 T CB 0.097 68.840 68.868 -0.208 0.000 0.884 706 T HN 0.690 nan 8.240 nan 0.000 0.479 707 A N 1.152 124.009 122.820 0.061 0.000 2.640 707 A HA 0.289 4.609 4.320 0.000 0.000 0.282 707 A C 0.433 177.981 177.584 -0.060 0.000 1.357 707 A CA -0.485 51.564 52.037 0.020 0.000 0.946 707 A CB -0.446 18.828 19.000 0.457 0.000 1.065 707 A HN 0.399 nan 8.150 nan 0.000 0.541 708 D N 1.512 121.890 120.400 -0.037 0.000 2.342 708 D HA -0.008 4.632 4.640 0.000 0.000 0.260 708 D C 0.387 176.653 176.300 -0.056 0.000 1.278 708 D CA 0.126 54.205 54.000 0.132 0.000 0.910 708 D CB 0.637 41.675 40.800 0.396 0.000 1.079 708 D HN 0.586 nan 8.370 nan 0.000 0.496 709 D N 2.185 122.602 120.400 0.028 0.000 2.323 709 D HA -0.121 4.519 4.640 0.000 0.000 0.209 709 D C 1.067 177.342 176.300 -0.041 0.000 0.973 709 D CA 0.204 54.175 54.000 -0.049 0.000 0.874 709 D CB 0.277 40.993 40.800 -0.140 0.000 0.930 709 D HN 0.439 nan 8.370 nan 0.000 0.521 710 N N 0.240 119.020 118.700 0.133 0.000 2.272 710 N HA -0.047 4.693 4.740 0.000 0.000 0.195 710 N C -0.101 175.393 175.510 -0.026 0.000 1.048 710 N CA 0.202 53.362 53.050 0.183 0.000 0.912 710 N CB 0.592 39.197 38.487 0.196 0.000 1.096 710 N HN -0.177 nan 8.380 nan 0.000 0.471 711 V N 2.528 122.457 119.914 0.026 0.000 2.356 711 V HA 0.136 4.256 4.120 0.000 0.000 0.258 711 V C -0.747 175.441 176.094 0.156 0.000 1.065 711 V CA -0.134 62.204 62.300 0.063 0.000 0.935 711 V CB -0.420 31.465 31.823 0.104 0.000 1.061 711 V HN 0.339 nan 8.190 nan 0.000 0.484 712 H N 3.288 122.371 119.070 0.021 0.000 2.897 712 H HA -0.004 4.552 4.556 0.000 0.000 0.347 712 H C 0.817 176.042 175.328 -0.172 0.000 1.068 712 H CA -0.094 55.888 56.048 -0.111 0.000 1.426 712 H CB 0.732 30.332 29.762 -0.269 0.000 1.410 712 H HN 0.614 nan 8.280 nan 0.000 0.597 713 F N 2.037 121.811 119.950 -0.292 0.000 2.147 713 F HA -0.342 4.185 4.527 0.000 0.000 0.301 713 F C 2.639 178.123 175.800 -0.527 0.000 1.084 713 F CA 1.970 59.535 58.000 -0.724 0.000 1.268 713 F CB -0.215 38.554 39.000 -0.384 0.000 1.009 713 F HN 0.695 nan 8.300 nan 0.000 0.486 714 Q N 0.163 119.838 119.800 -0.210 0.000 2.165 714 Q HA -0.376 3.964 4.340 0.000 0.000 0.215 714 Q C 2.115 177.844 176.000 -0.452 0.000 1.010 714 Q CA 2.696 58.307 55.803 -0.320 0.000 0.896 714 Q CB -0.438 28.075 28.738 -0.375 0.000 0.956 714 Q HN 0.627 nan 8.270 nan 0.000 0.413 715 Q N -0.314 119.250 119.800 -0.393 0.000 2.030 715 Q HA -0.148 4.192 4.340 0.000 0.000 0.204 715 Q C 2.366 178.218 176.000 -0.246 0.000 0.986 715 Q CA 1.842 57.521 55.803 -0.206 0.000 0.843 715 Q CB -0.267 28.453 28.738 -0.030 0.000 0.904 715 Q HN 0.361 nan 8.270 nan 0.000 0.420 716 S N 0.951 116.402 115.700 -0.416 0.000 2.382 716 S HA -0.123 4.347 4.470 0.000 0.000 0.228 716 S C 2.091 176.421 174.600 -0.450 0.000 1.027 716 S CA 0.959 58.913 58.200 -0.409 0.000 0.991 716 S CB -0.273 62.636 63.200 -0.486 0.000 0.823 716 S HN 0.499 nan 8.310 nan 0.000 0.469 717 A N 1.300 123.758 122.820 -0.602 0.000 1.940 717 A HA -0.150 4.170 4.320 0.000 0.000 0.219 717 A C 2.128 179.600 177.584 -0.186 0.000 1.176 717 A CA 1.220 53.056 52.037 -0.336 0.000 0.631 717 A CB -0.478 18.396 19.000 -0.210 0.000 0.814 717 A HN 0.348 nan 8.150 nan 0.000 0.446 718 Q N -0.373 119.318 119.800 -0.182 0.000 2.167 718 Q HA -0.040 4.300 4.340 0.000 0.000 0.202 718 Q C 2.084 178.022 176.000 -0.103 0.000 0.970 718 Q CA 1.052 56.803 55.803 -0.087 0.000 0.855 718 Q CB -0.339 28.413 28.738 0.024 0.000 0.911 718 Q HN 0.800 nan 8.270 nan 0.000 0.438 719 I N 0.680 121.156 120.570 -0.157 0.000 2.193 719 I HA -0.258 3.912 4.170 0.000 0.000 0.240 719 I C 2.500 178.445 176.117 -0.288 0.000 1.084 719 I CA 1.263 62.427 61.300 -0.227 0.000 1.365 719 I CB -0.590 37.275 38.000 -0.224 0.000 1.064 719 I HN 0.182 nan 8.210 nan 0.000 0.410 720 S N 1.383 116.938 115.700 -0.242 0.000 2.359 720 S HA -0.341 4.129 4.470 0.000 0.000 0.222 720 S C 2.044 176.620 174.600 -0.040 0.000 1.038 720 S CA 1.852 59.966 58.200 -0.143 0.000 1.051 720 S CB -0.685 62.574 63.200 0.098 0.000 0.944 720 S HN 0.342 nan 8.310 nan 0.000 0.433 721 K N 1.797 122.177 120.400 -0.034 0.000 2.059 721 K HA -0.143 4.177 4.320 0.000 0.000 0.212 721 K C 2.363 178.944 176.600 -0.031 0.000 1.050 721 K CA 1.482 57.762 56.287 -0.011 0.000 0.927 721 K CB -0.819 31.669 32.500 -0.020 0.000 0.714 721 K HN 0.488 nan 8.250 nan 0.000 0.447 722 A N 0.961 123.732 122.820 -0.082 0.000 1.883 722 A HA -0.161 4.159 4.320 0.000 0.000 0.217 722 A C 2.139 179.658 177.584 -0.107 0.000 1.186 722 A CA 1.648 53.627 52.037 -0.096 0.000 0.624 722 A CB -0.697 18.222 19.000 -0.136 0.000 0.822 722 A HN 0.343 nan 8.150 nan 0.000 0.444 723 L N -0.748 120.365 121.223 -0.183 0.000 2.093 723 L HA -0.141 4.199 4.340 0.000 0.000 0.208 723 L C 2.518 179.425 176.870 0.062 0.000 1.085 723 L CA 0.893 55.646 54.840 -0.144 0.000 0.755 723 L CB -0.621 41.203 42.059 -0.392 0.000 0.904 723 L HN 0.239 nan 8.230 nan 0.000 0.435 724 V N -0.017 119.968 119.914 0.119 0.000 2.295 724 V HA -0.303 3.817 4.120 0.000 0.000 0.246 724 V C 2.082 178.218 176.094 0.070 0.000 1.049 724 V CA 1.979 64.361 62.300 0.136 0.000 1.024 724 V CB -0.467 31.429 31.823 0.122 0.000 0.648 724 V HN 0.441 nan 8.190 nan 0.000 0.447 725 D N -0.723 119.699 120.400 0.037 0.000 2.218 725 D HA -0.105 4.535 4.640 0.000 0.000 0.204 725 D C 1.749 178.064 176.300 0.024 0.000 0.976 725 D CA 1.115 55.128 54.000 0.023 0.000 0.853 725 D CB 0.045 40.849 40.800 0.008 0.000 0.939 725 D HN 0.374 nan 8.370 nan 0.000 0.481 726 V N -0.552 119.377 119.914 0.025 0.000 3.621 726 V HA 0.288 4.408 4.120 0.000 0.000 0.285 726 V C 0.786 176.910 176.094 0.049 0.000 1.346 726 V CA 0.832 63.150 62.300 0.030 0.000 1.104 726 V CB -0.067 31.768 31.823 0.020 0.000 0.913 726 V HN 0.335 nan 8.190 nan 0.000 0.432 727 G N 0.951 109.788 108.800 0.062 0.000 2.289 727 G HA2 -0.171 3.789 3.960 0.000 0.000 0.280 727 G HA3 -0.171 3.789 3.960 0.000 0.000 0.280 727 G C -0.216 174.744 174.900 0.100 0.000 1.089 727 G CA 0.284 45.428 45.100 0.074 0.000 0.939 727 G HN 0.649 nan 8.290 nan 0.000 0.499 728 V N 0.335 120.333 119.914 0.141 0.000 2.417 728 V HA 0.485 4.605 4.120 0.000 0.000 0.291 728 V C 0.369 176.641 176.094 0.296 0.000 1.024 728 V CA -0.802 61.614 62.300 0.194 0.000 0.861 728 V CB 1.830 33.766 31.823 0.188 0.000 0.985 728 V HN 0.449 nan 8.190 nan 0.000 0.436 729 D N 3.529 124.070 120.400 0.235 0.000 2.341 729 D HA 0.583 5.223 4.640 0.000 0.000 0.245 729 D C -0.506 176.018 176.300 0.372 0.000 1.106 729 D CA 0.368 54.485 54.000 0.195 0.000 0.905 729 D CB 0.742 41.606 40.800 0.107 0.000 1.202 729 D HN 0.380 nan 8.370 nan 0.000 0.426 730 F N -0.582 119.446 119.950 0.129 0.000 2.831 730 F HA 0.489 5.016 4.527 0.000 0.000 0.318 730 F C -1.460 174.398 175.800 0.096 0.000 1.174 730 F CA -1.134 56.965 58.000 0.165 0.000 0.918 730 F CB 0.677 39.812 39.000 0.224 0.000 1.364 730 F HN 0.049 nan 8.300 nan 0.000 0.475 731 Q N 1.187 121.112 119.800 0.210 0.000 2.257 731 Q HA 0.840 5.180 4.340 0.000 0.000 0.262 731 Q C -0.908 175.135 176.000 0.072 0.000 0.997 731 Q CA -0.784 55.042 55.803 0.038 0.000 0.873 731 Q CB 2.048 30.811 28.738 0.042 0.000 1.312 731 Q HN 1.060 nan 8.270 nan 0.000 0.450 732 A N 1.443 124.263 122.820 0.001 0.000 2.556 732 A HA 0.859 5.179 4.320 0.000 0.000 0.294 732 A C -1.422 176.119 177.584 -0.072 0.000 1.091 732 A CA -0.546 51.514 52.037 0.037 0.000 0.704 732 A CB 1.924 21.025 19.000 0.168 0.000 1.300 732 A HN 0.601 nan 8.150 nan 0.000 0.406 733 M N 1.439 120.985 119.600 -0.090 0.000 2.274 733 M HA 0.549 5.029 4.480 0.000 0.000 0.272 733 M C -1.819 174.371 176.300 -0.183 0.000 1.053 733 M CA -0.439 54.663 55.300 -0.331 0.000 0.978 733 M CB 1.091 33.435 32.600 -0.427 0.000 1.836 733 M HN 0.934 nan 8.290 nan 0.000 0.484 734 W N 4.145 125.288 121.300 -0.261 0.000 2.436 734 W HA 0.791 5.451 4.660 0.000 0.000 0.347 734 W C -1.898 174.350 176.519 -0.452 0.000 1.136 734 W CA -0.754 56.516 57.345 -0.124 0.000 1.286 734 W CB 0.384 29.839 29.460 -0.008 0.000 1.253 734 W HN 0.595 nan 8.180 nan 0.000 0.617 735 Y N 1.765 122.217 120.300 0.254 0.000 2.376 735 Y HA 0.287 4.837 4.550 0.000 0.000 0.326 735 Y C 0.373 176.391 175.900 0.196 0.000 0.970 735 Y CA -1.238 56.924 58.100 0.104 0.000 1.248 735 Y CB 1.414 39.896 38.460 0.037 0.000 1.117 735 Y HN 0.414 nan 8.280 nan 0.000 0.476 736 T N 4.733 119.469 114.554 0.303 0.000 2.778 736 T HA -0.032 4.318 4.350 0.000 0.000 0.282 736 T C 0.173 174.943 174.700 0.118 0.000 0.983 736 T CA 0.797 63.018 62.100 0.203 0.000 1.193 736 T CB -0.204 68.728 68.868 0.107 0.000 0.938 736 T HN 0.720 nan 8.240 nan 0.000 0.523 737 D N 0.673 121.103 120.400 0.049 0.000 2.978 737 D HA -0.127 4.513 4.640 0.000 0.000 0.205 737 D C 0.341 176.748 176.300 0.179 0.000 1.093 737 D CA 1.194 55.138 54.000 -0.093 0.000 1.006 737 D CB -0.412 40.127 40.800 -0.434 0.000 1.116 737 D HN 0.564 nan 8.370 nan 0.000 0.419 738 E N 0.987 121.318 120.200 0.219 0.000 2.343 738 E HA 0.299 4.649 4.350 0.000 0.000 0.269 738 E C 0.908 177.678 176.600 0.284 0.000 1.047 738 E CA -0.130 56.419 56.400 0.248 0.000 0.874 738 E CB 1.085 30.917 29.700 0.219 0.000 1.033 738 E HN 0.377 nan 8.360 nan 0.000 0.409 739 D N -0.104 120.477 120.400 0.301 0.000 2.466 739 D HA -0.013 4.627 4.640 0.000 0.000 0.271 739 D C 1.084 177.596 176.300 0.354 0.000 1.193 739 D CA -0.079 54.121 54.000 0.332 0.000 1.103 739 D CB -0.361 40.667 40.800 0.380 0.000 1.184 739 D HN 0.438 nan 8.370 nan 0.000 0.593 740 H N -1.483 117.763 119.070 0.294 0.000 2.495 740 H HA 0.184 4.740 4.556 0.000 0.000 0.287 740 H C 1.907 177.491 175.328 0.428 0.000 1.033 740 H CA 1.873 58.120 56.048 0.333 0.000 1.307 740 H CB -0.333 29.615 29.762 0.309 0.000 1.401 740 H HN 0.462 nan 8.280 nan 0.000 0.555 741 G N 0.126 109.114 108.800 0.313 0.000 2.511 741 G HA2 -0.064 3.896 3.960 0.000 0.000 0.217 741 G HA3 -0.064 3.896 3.960 0.000 0.000 0.217 741 G C 0.738 175.832 174.900 0.324 0.000 1.133 741 G CA 0.357 45.580 45.100 0.205 0.000 0.792 741 G HN 0.534 nan 8.290 nan 0.000 0.539 742 I N 0.179 120.946 120.570 0.329 0.000 3.859 742 I HA -0.334 3.836 4.170 0.000 0.000 0.126 742 I C 1.543 177.786 176.117 0.209 0.000 1.065 742 I CA 0.185 61.612 61.300 0.211 0.000 2.735 742 I CB -1.167 36.900 38.000 0.112 0.000 1.465 742 I HN 0.277 nan 8.210 nan 0.000 0.341 743 A N 1.047 123.969 122.820 0.171 0.000 2.343 743 A HA 0.246 4.566 4.320 0.000 0.000 0.223 743 A C 1.175 178.810 177.584 0.084 0.000 1.214 743 A CA 0.590 52.698 52.037 0.119 0.000 0.900 743 A CB 0.225 19.274 19.000 0.081 0.000 0.942 743 A HN 0.628 nan 8.150 nan 0.000 0.507 744 S N -0.223 115.541 115.700 0.106 0.000 2.573 744 S HA 0.186 4.656 4.470 0.000 0.000 0.277 744 S C 1.242 175.896 174.600 0.089 0.000 1.346 744 S CA 0.398 58.653 58.200 0.092 0.000 1.034 744 S CB 1.107 64.370 63.200 0.105 0.000 0.879 744 S HN 0.514 nan 8.310 nan 0.000 0.528 745 S N 1.867 117.607 115.700 0.067 0.000 2.359 745 S HA -0.185 4.285 4.470 0.000 0.000 0.222 745 S C 2.100 176.760 174.600 0.101 0.000 1.038 745 S CA 2.318 60.558 58.200 0.066 0.000 1.051 745 S CB -1.634 61.590 63.200 0.039 0.000 0.944 745 S HN 1.077 nan 8.310 nan 0.000 0.433 746 T N -0.501 114.100 114.554 0.078 0.000 2.904 746 T HA 0.258 4.608 4.350 0.000 0.000 0.267 746 T C 1.927 176.677 174.700 0.084 0.000 1.059 746 T CA 1.175 63.321 62.100 0.077 0.000 1.137 746 T CB -0.735 68.169 68.868 0.060 0.000 0.879 746 T HN 0.466 nan 8.240 nan 0.000 0.467 747 A N 1.523 124.376 122.820 0.055 0.000 1.898 747 A HA -0.073 4.247 4.320 0.000 0.000 0.216 747 A C 2.186 179.727 177.584 -0.072 0.000 1.181 747 A CA 1.925 53.931 52.037 -0.052 0.000 0.620 747 A CB -1.227 17.718 19.000 -0.092 0.000 0.819 747 A HN 0.752 nan 8.150 nan 0.000 0.442 748 H N -0.360 118.692 119.070 -0.031 0.000 2.319 748 H HA -0.136 4.420 4.556 0.000 0.000 0.299 748 H C 2.098 177.481 175.328 0.092 0.000 1.092 748 H CA 2.337 58.416 56.048 0.051 0.000 1.302 748 H CB -0.213 29.583 29.762 0.058 0.000 1.373 748 H HN 0.547 nan 8.280 nan 0.000 0.497 749 Q N -1.017 118.762 119.800 -0.034 0.000 2.079 749 Q HA -0.170 4.170 4.340 0.000 0.000 0.200 749 Q C 2.257 178.228 176.000 -0.048 0.000 0.974 749 Q CA 1.375 57.118 55.803 -0.099 0.000 0.840 749 Q CB -0.166 28.567 28.738 -0.009 0.000 0.898 749 Q HN 0.624 nan 8.270 nan 0.000 0.430 750 H N 0.415 119.447 119.070 -0.063 0.000 2.353 750 H HA -0.102 4.455 4.556 0.000 0.000 0.300 750 H C 2.015 177.337 175.328 -0.009 0.000 1.090 750 H CA 1.397 57.444 56.048 -0.001 0.000 1.327 750 H CB 0.013 29.820 29.762 0.076 0.000 1.383 750 H HN 0.303 nan 8.280 nan 0.000 0.508 751 I N 0.086 120.626 120.570 -0.049 0.000 2.133 751 I HA -0.326 3.844 4.170 0.000 0.000 0.238 751 I C 1.858 177.767 176.117 -0.346 0.000 1.074 751 I CA 1.238 62.431 61.300 -0.179 0.000 1.342 751 I CB -0.397 37.316 38.000 -0.479 0.000 1.053 751 I HN 0.130 nan 8.210 nan 0.000 0.404 752 Y N 1.238 121.306 120.300 -0.387 0.000 2.241 752 Y HA -0.283 4.267 4.550 0.000 0.000 0.286 752 Y C 2.728 178.424 175.900 -0.340 0.000 1.166 752 Y CA 2.035 59.797 58.100 -0.562 0.000 1.203 752 Y CB -1.104 37.010 38.460 -0.578 0.000 0.977 752 Y HN 0.225 nan 8.280 nan 0.000 0.529 753 T N -1.825 112.655 114.554 -0.123 0.000 2.701 753 T HA -0.219 4.131 4.350 0.000 0.000 0.263 753 T C 1.583 176.216 174.700 -0.113 0.000 1.040 753 T CA 1.758 63.769 62.100 -0.148 0.000 1.147 753 T CB -0.485 68.299 68.868 -0.139 0.000 0.865 753 T HN 0.415 nan 8.240 nan 0.000 0.426 754 H N 0.817 119.789 119.070 -0.163 0.000 2.352 754 H HA 0.027 4.583 4.556 0.000 0.000 0.299 754 H C 2.168 177.493 175.328 -0.004 0.000 1.097 754 H CA 1.716 57.736 56.048 -0.047 0.000 1.311 754 H CB -0.271 29.436 29.762 -0.091 0.000 1.377 754 H HN 0.281 nan 8.280 nan 0.000 0.504 755 M N -0.934 118.617 119.600 -0.082 0.000 2.086 755 M HA -0.187 4.293 4.480 0.000 0.000 0.261 755 M C 2.512 178.924 176.300 0.187 0.000 1.067 755 M CA 1.690 56.939 55.300 -0.084 0.000 1.116 755 M CB -0.113 32.199 32.600 -0.480 0.000 1.348 755 M HN 0.171 nan 8.290 nan 0.000 0.407 756 S N -0.393 115.457 115.700 0.250 0.000 2.368 756 S HA -0.206 4.264 4.470 0.000 0.000 0.226 756 S C 1.724 176.382 174.600 0.097 0.000 1.044 756 S CA 1.345 59.737 58.200 0.319 0.000 1.062 756 S CB -0.814 62.529 63.200 0.238 0.000 0.931 756 S HN 0.458 nan 8.310 nan 0.000 0.440 757 H N -0.082 119.042 119.070 0.090 0.000 2.319 757 H HA -0.110 4.446 4.556 0.000 0.000 0.297 757 H C 2.031 177.358 175.328 -0.001 0.000 1.097 757 H CA 1.599 57.654 56.048 0.013 0.000 1.285 757 H CB -0.919 28.804 29.762 -0.066 0.000 1.368 757 H HN 0.451 nan 8.280 nan 0.000 0.495 758 F N 1.354 121.282 119.950 -0.037 0.000 2.065 758 F HA -0.232 4.295 4.527 0.000 0.000 0.298 758 F C 2.448 178.204 175.800 -0.073 0.000 1.112 758 F CA 1.119 59.074 58.000 -0.076 0.000 1.212 758 F CB -0.409 38.528 39.000 -0.105 0.000 0.975 758 F HN -0.023 nan 8.300 nan 0.000 0.476 759 I N 0.789 121.362 120.570 0.005 0.000 2.179 759 I HA -0.274 3.896 4.170 0.000 0.000 0.242 759 I C 2.285 178.202 176.117 -0.334 0.000 1.088 759 I CA 1.477 62.617 61.300 -0.266 0.000 1.357 759 I CB -1.166 36.766 38.000 -0.114 0.000 1.051 759 I HN 0.235 nan 8.210 nan 0.000 0.409 760 K N 0.304 120.651 120.400 -0.087 0.000 2.009 760 K HA -0.240 4.080 4.320 0.000 0.000 0.210 760 K C 1.950 178.537 176.600 -0.022 0.000 1.049 760 K CA 1.338 57.628 56.287 0.005 0.000 0.929 760 K CB -0.522 32.026 32.500 0.080 0.000 0.714 760 K HN 0.410 nan 8.250 nan 0.000 0.440 761 Q N 1.567 121.321 119.800 -0.077 0.000 2.170 761 Q HA -0.172 4.168 4.340 0.000 0.000 0.203 761 Q C 2.142 178.051 176.000 -0.151 0.000 0.976 761 Q CA 1.557 57.305 55.803 -0.092 0.000 0.858 761 Q CB -0.582 28.099 28.738 -0.095 0.000 0.907 761 Q HN 0.373 nan 8.270 nan 0.000 0.433 762 c N 0.054 118.460 118.600 -0.324 0.000 2.450 762 c HA -0.003 4.567 4.570 0.000 0.000 0.279 762 c C 2.014 176.100 174.090 -0.006 0.000 1.335 762 c CA 0.206 56.341 56.329 -0.323 0.000 1.749 762 c CB -1.219 40.912 42.510 -0.631 0.000 1.963 762 c HN 0.523 nan 8.230 nan 0.000 0.501 763 F N 1.692 121.600 119.950 -0.070 0.000 2.727 763 F HA 0.230 4.757 4.527 0.000 0.000 0.302 763 F C 1.678 177.463 175.800 -0.026 0.000 1.097 763 F CA 0.479 58.460 58.000 -0.031 0.000 1.330 763 F CB -0.976 38.014 39.000 -0.016 0.000 1.084 763 F HN 0.242 nan 8.300 nan 0.000 0.578 764 S N 0.456 116.239 115.700 0.139 0.000 3.635 764 S HA -0.220 4.250 4.470 0.000 0.000 0.328 764 S C 0.096 174.741 174.600 0.075 0.000 1.135 764 S CA 0.061 58.306 58.200 0.076 0.000 0.942 764 S CB -2.471 60.762 63.200 0.055 0.000 0.930 764 S HN 0.237 nan 8.310 nan 0.000 0.512 765 L N 1.188 122.470 121.223 0.099 0.000 2.350 765 L HA 0.447 4.787 4.340 0.000 0.000 0.275 765 L C -1.204 175.706 176.870 0.067 0.000 1.099 765 L CA -2.086 52.803 54.840 0.083 0.000 0.808 765 L CB 0.057 42.181 42.059 0.108 0.000 1.149 765 L HN 0.010 nan 8.230 nan 0.000 0.442 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.133 63.100 0.055 0.000 0.800 766 P CB 0.000 31.727 31.700 0.045 0.000 0.726