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 2iiv_1_A DATA FIRST_RESID 39 DATA SEQUENCE TRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 T HA 0.000 nan 4.350 nan 0.000 0.228 39 T C 0.000 174.742 174.700 0.070 0.000 1.109 39 T CA 0.000 62.131 62.100 0.052 0.000 1.349 39 T CB 0.000 68.893 68.868 0.042 0.000 0.612 40 R N 2.651 123.195 120.500 0.072 0.000 1.470 40 R HA -0.095 4.246 4.340 0.001 0.000 0.398 40 R C 0.382 176.740 176.300 0.096 0.000 1.311 40 R CA 0.757 56.908 56.100 0.085 0.000 1.214 40 R CB -0.128 30.226 30.300 0.090 0.000 3.485 40 R HN 0.846 nan 8.270 nan 0.000 0.483 41 K N 1.439 121.901 120.400 0.104 0.000 2.136 41 K HA 0.318 4.639 4.320 0.001 0.000 0.237 41 K C 0.486 177.164 176.600 0.130 0.000 1.048 41 K CA 0.016 56.372 56.287 0.115 0.000 0.880 41 K CB 0.494 33.068 32.500 0.124 0.000 1.105 41 K HN 0.639 nan 8.250 nan 0.000 0.507 42 T N -3.178 111.464 114.554 0.146 0.000 2.919 42 T HA 0.271 4.622 4.350 0.001 0.000 0.282 42 T C -0.707 174.134 174.700 0.236 0.000 1.020 42 T CA -0.781 61.420 62.100 0.169 0.000 0.994 42 T CB 0.519 69.484 68.868 0.161 0.000 1.180 42 T HN 0.476 nan 8.240 nan 0.000 0.566 43 Y N 2.453 122.835 120.300 0.136 0.000 2.504 43 Y HA 0.405 4.956 4.550 0.001 0.000 0.351 43 Y C 0.932 176.998 175.900 0.278 0.000 0.988 43 Y CA -0.393 57.828 58.100 0.202 0.000 1.239 43 Y CB -0.074 38.466 38.460 0.132 0.000 1.128 43 Y HN 1.017 nan 8.280 nan 0.000 0.525 44 T N 2.253 116.815 114.554 0.014 0.000 2.824 44 T HA 0.123 4.474 4.350 0.001 0.000 0.277 44 T C 0.947 175.545 174.700 -0.170 0.000 0.975 44 T CA -0.636 61.503 62.100 0.066 0.000 0.966 44 T CB 1.123 69.991 68.868 0.001 0.000 1.054 44 T HN 0.691 nan 8.240 nan 0.000 0.533 45 L N 0.640 121.564 121.223 -0.498 0.000 2.093 45 L HA 0.066 4.407 4.340 0.001 0.000 0.208 45 L C 2.556 179.262 176.870 -0.272 0.000 1.085 45 L CA 2.014 56.431 54.840 -0.706 0.000 0.755 45 L CB -1.421 40.079 42.059 -0.932 0.000 0.904 45 L HN 0.933 nan 8.230 nan 0.000 0.435 46 T N -0.535 113.888 114.554 -0.218 0.000 2.821 46 T HA -0.135 4.216 4.350 0.001 0.000 0.267 46 T C 1.450 176.044 174.700 -0.176 0.000 1.046 46 T CA 1.383 63.388 62.100 -0.159 0.000 1.139 46 T CB -0.343 68.456 68.868 -0.115 0.000 0.871 46 T HN 0.385 nan 8.240 nan 0.000 0.454 47 D N 0.224 120.481 120.400 -0.239 0.000 2.144 47 D HA -0.085 4.556 4.640 0.001 0.000 0.199 47 D C 1.713 177.881 176.300 -0.220 0.000 0.984 47 D CA 0.965 54.776 54.000 -0.313 0.000 0.834 47 D CB -0.335 40.156 40.800 -0.514 0.000 0.955 47 D HN 0.426 nan 8.370 nan 0.000 0.465 48 Y N 1.453 121.563 120.300 -0.317 0.000 2.163 48 Y HA -0.069 4.481 4.550 0.001 0.000 0.288 48 Y C 2.122 178.021 175.900 -0.002 0.000 1.136 48 Y CA 1.154 59.246 58.100 -0.012 0.000 1.147 48 Y CB -0.569 37.960 38.460 0.114 0.000 0.987 48 Y HN -0.109 nan 8.280 nan 0.000 0.509 49 L N 0.026 121.059 121.223 -0.316 0.000 2.141 49 L HA -0.152 4.189 4.340 0.001 0.000 0.209 49 L C 1.761 178.513 176.870 -0.197 0.000 1.094 49 L CA 1.230 55.857 54.840 -0.355 0.000 0.763 49 L CB -0.407 41.513 42.059 -0.233 0.000 0.908 49 L HN 0.080 nan 8.230 nan 0.000 0.437 50 K N -0.618 119.692 120.400 -0.151 0.000 2.358 50 K HA 0.125 4.446 4.320 0.001 0.000 0.197 50 K C 0.139 176.684 176.600 -0.092 0.000 1.025 50 K CA -0.135 56.088 56.287 -0.107 0.000 1.104 50 K CB -0.034 32.404 32.500 -0.102 0.000 0.855 50 K HN 0.127 nan 8.250 nan 0.000 0.531 51 N N 1.649 120.302 118.700 -0.078 0.000 2.725 51 N HA -0.159 4.581 4.740 0.001 0.000 0.251 51 N C 0.867 176.351 175.510 -0.043 0.000 1.031 51 N CA 1.208 54.254 53.050 -0.008 0.000 0.720 51 N CB -1.451 37.035 38.487 -0.002 0.000 0.930 51 N HN 0.499 nan 8.380 nan 0.000 0.543 52 T N -4.005 110.457 114.554 -0.154 0.000 2.833 52 T HA -0.168 4.182 4.350 0.001 0.000 0.269 52 T C 0.686 175.166 174.700 -0.368 0.000 1.054 52 T CA 1.115 63.016 62.100 -0.331 0.000 1.135 52 T CB -0.161 68.376 68.868 -0.551 0.000 0.869 52 T HN 0.309 nan 8.240 nan 0.000 0.466 53 Y N 1.833 122.223 120.300 0.149 0.000 2.593 53 Y HA 0.645 5.196 4.550 0.001 0.000 0.331 53 Y C 0.384 176.395 175.900 0.185 0.000 0.986 53 Y CA -1.688 56.527 58.100 0.192 0.000 1.262 53 Y CB 0.570 39.210 38.460 0.301 0.000 1.098 53 Y HN 0.031 nan 8.280 nan 0.000 0.506 54 R N 2.301 122.943 120.500 0.236 0.000 2.265 54 R HA 0.516 4.857 4.340 0.001 0.000 0.319 54 R C -1.297 175.112 176.300 0.180 0.000 1.006 54 R CA -0.588 55.621 56.100 0.181 0.000 0.880 54 R CB 0.453 30.818 30.300 0.108 0.000 1.077 54 R HN 0.521 nan 8.270 nan 0.000 0.454 55 L N 4.248 125.582 121.223 0.186 0.000 2.367 55 L HA 0.270 4.611 4.340 0.001 0.000 0.275 55 L C 0.309 177.264 176.870 0.141 0.000 1.129 55 L CA 0.588 55.533 54.840 0.175 0.000 0.839 55 L CB 0.811 42.993 42.059 0.206 0.000 1.133 55 L HN 0.540 nan 8.230 nan 0.000 0.453 56 K N 2.959 123.438 120.400 0.130 0.000 2.144 56 K HA 0.623 4.944 4.320 0.001 0.000 0.270 56 K C -0.836 175.826 176.600 0.103 0.000 1.005 56 K CA -0.653 55.693 56.287 0.099 0.000 0.932 56 K CB 1.131 33.683 32.500 0.086 0.000 1.021 56 K HN 0.223 nan 8.250 nan 0.000 0.462 57 L N 1.156 122.372 121.223 -0.011 0.000 2.235 57 L HA 0.454 4.795 4.340 0.001 0.000 0.260 57 L C -1.167 175.461 176.870 -0.403 0.000 1.025 57 L CA -0.669 54.027 54.840 -0.241 0.000 0.836 57 L CB 0.709 42.733 42.059 -0.059 0.000 1.395 57 L HN 0.510 nan 8.230 nan 0.000 0.443 58 Y N -0.089 119.690 120.300 -0.868 0.000 2.489 58 Y HA 0.408 4.958 4.550 0.001 0.000 0.339 58 Y C -0.876 174.854 175.900 -0.283 0.000 1.135 58 Y CA -0.405 57.389 58.100 -0.510 0.000 1.321 58 Y CB 1.170 39.157 38.460 -0.788 0.000 1.098 58 Y HN 0.446 nan 8.280 nan 0.000 0.590 59 S N 5.904 121.528 115.700 -0.127 0.000 2.399 59 S HA 0.482 4.953 4.470 0.001 0.000 0.301 59 S C -0.548 173.997 174.600 -0.092 0.000 1.093 59 S CA -0.570 57.588 58.200 -0.070 0.000 1.077 59 S CB -0.248 62.927 63.200 -0.042 0.000 0.980 59 S HN 0.542 nan 8.310 nan 0.000 0.494 60 L N 1.557 122.675 121.223 -0.174 0.000 2.332 60 L HA 0.773 5.113 4.340 0.001 0.000 0.269 60 L C -0.166 176.580 176.870 -0.206 0.000 1.016 60 L CA -0.848 53.832 54.840 -0.267 0.000 0.809 60 L CB 0.612 42.178 42.059 -0.821 0.000 1.280 60 L HN 0.324 nan 8.230 nan 0.000 0.447 61 R N 0.825 121.251 120.500 -0.123 0.000 2.422 61 R HA 0.349 4.689 4.340 0.001 0.000 0.307 61 R C -1.679 174.643 176.300 0.037 0.000 1.004 61 R CA -0.289 55.803 56.100 -0.014 0.000 0.882 61 R CB 0.973 31.305 30.300 0.053 0.000 1.164 61 R HN 0.667 nan 8.270 nan 0.000 0.489 62 W N 4.337 125.723 121.300 0.143 0.000 2.251 62 W HA 0.088 4.749 4.660 0.001 0.000 0.327 62 W C 1.517 178.101 176.519 0.109 0.000 1.361 62 W CA -0.361 57.080 57.345 0.160 0.000 1.234 62 W CB 0.460 30.016 29.460 0.160 0.000 1.212 62 W HN 0.651 nan 8.180 nan 0.000 0.557 63 I N 0.438 121.211 120.570 0.338 0.000 4.154 63 I HA 0.329 4.500 4.170 0.001 0.000 0.334 63 I C 0.605 176.813 176.117 0.151 0.000 1.371 63 I CA -0.134 61.269 61.300 0.170 0.000 1.110 63 I CB -0.144 37.883 38.000 0.046 0.000 1.085 63 I HN 0.271 nan 8.210 nan 0.000 0.398 64 S N -0.510 115.315 115.700 0.209 0.000 2.714 64 S HA 0.236 4.707 4.470 0.001 0.000 0.280 64 S C -0.232 174.481 174.600 0.189 0.000 1.200 64 S CA -0.180 58.110 58.200 0.150 0.000 0.900 64 S CB 1.241 64.470 63.200 0.048 0.000 1.235 64 S HN 0.053 nan 8.310 nan 0.000 0.512 65 D N 0.002 120.532 120.400 0.217 0.000 2.349 65 D HA 0.125 4.766 4.640 0.001 0.000 0.224 65 D C 1.164 177.698 176.300 0.389 0.000 1.029 65 D CA 1.274 55.407 54.000 0.222 0.000 0.879 65 D CB -0.018 40.909 40.800 0.211 0.000 0.906 65 D HN 0.656 nan 8.370 nan 0.000 0.528 66 H N -2.464 116.777 119.070 0.285 0.000 3.650 66 H HA 0.388 4.945 4.556 0.001 0.000 0.260 66 H C -0.326 175.152 175.328 0.250 0.000 1.194 66 H CA -0.305 55.912 56.048 0.282 0.000 1.135 66 H CB 0.200 30.106 29.762 0.241 0.000 1.612 66 H HN 0.022 nan 8.280 nan 0.000 0.703 67 E N 0.906 121.104 120.200 -0.003 0.000 2.343 67 E HA 0.432 4.783 4.350 0.001 0.000 0.270 67 E C -1.542 175.194 176.600 0.226 0.000 0.895 67 E CA -1.209 55.187 56.400 -0.008 0.000 0.767 67 E CB 3.051 32.626 29.700 -0.209 0.000 1.248 67 E HN 0.258 nan 8.360 nan 0.000 0.440 68 Y N -1.024 119.268 120.300 -0.013 0.000 2.615 68 Y HA 0.646 5.196 4.550 0.001 0.000 0.341 68 Y C -1.690 174.186 175.900 -0.039 0.000 1.089 68 Y CA -1.332 56.674 58.100 -0.156 0.000 1.049 68 Y CB 0.885 38.921 38.460 -0.706 0.000 1.296 68 Y HN 0.333 nan 8.280 nan 0.000 0.470 69 L N 2.868 124.226 121.223 0.226 0.000 2.317 69 L HA 0.509 4.850 4.340 0.001 0.000 0.281 69 L C -1.417 175.656 176.870 0.337 0.000 1.024 69 L CA -0.974 53.975 54.840 0.183 0.000 0.810 69 L CB 1.701 43.768 42.059 0.013 0.000 1.240 69 L HN 0.780 nan 8.230 nan 0.000 0.427 70 Y N 2.708 123.129 120.300 0.202 0.000 2.421 70 Y HA 0.301 4.852 4.550 0.001 0.000 0.339 70 Y C -0.611 175.328 175.900 0.065 0.000 0.996 70 Y CA -1.195 56.942 58.100 0.061 0.000 1.046 70 Y CB 1.740 40.198 38.460 -0.003 0.000 1.226 70 Y HN 0.431 nan 8.280 nan 0.000 0.445 71 K N 5.493 125.560 120.400 -0.556 0.000 2.273 71 K HA 0.267 4.588 4.320 0.001 0.000 0.287 71 K C -0.982 175.256 176.600 -0.603 0.000 1.089 71 K CA -0.239 55.796 56.287 -0.419 0.000 0.909 71 K CB 0.467 32.814 32.500 -0.255 0.000 1.123 71 K HN 0.809 nan 8.250 nan 0.000 0.473 72 Q N 3.242 122.881 119.800 -0.268 0.000 2.330 72 Q HA 0.097 4.438 4.340 0.001 0.000 0.269 72 Q C -1.049 174.919 176.000 -0.054 0.000 1.022 72 Q CA -0.240 55.493 55.803 -0.118 0.000 0.796 72 Q CB 1.362 30.188 28.738 0.146 0.000 1.271 72 Q HN 0.720 nan 8.270 nan 0.000 0.450 73 E N 2.737 122.908 120.200 -0.049 0.000 2.476 73 E HA -0.368 3.983 4.350 0.001 0.000 0.251 73 E C -0.217 176.353 176.600 -0.049 0.000 1.130 73 E CA 0.394 56.775 56.400 -0.032 0.000 0.736 73 E CB -0.752 28.943 29.700 -0.009 0.000 1.298 73 E HN 0.845 nan 8.360 nan 0.000 0.400 74 N N -1.081 117.576 118.700 -0.073 0.000 2.900 74 N HA -0.191 4.550 4.740 0.001 0.000 0.240 74 N C -0.591 174.868 175.510 -0.085 0.000 0.953 74 N CA 1.507 54.513 53.050 -0.073 0.000 0.950 74 N CB -0.819 37.640 38.487 -0.048 0.000 1.102 74 N HN 0.421 nan 8.380 nan 0.000 0.593 75 N N 0.604 119.256 118.700 -0.081 0.000 2.487 75 N HA 0.373 5.114 4.740 0.001 0.000 0.292 75 N C 0.094 175.554 175.510 -0.085 0.000 1.108 75 N CA -0.281 52.722 53.050 -0.078 0.000 0.956 75 N CB 1.241 39.696 38.487 -0.055 0.000 1.176 75 N HN 0.118 nan 8.380 nan 0.000 0.484 76 I N 2.840 123.361 120.570 -0.081 0.000 2.315 76 I HA 0.268 4.439 4.170 0.001 0.000 0.291 76 I C -0.049 176.098 176.117 0.049 0.000 1.006 76 I CA -0.359 60.906 61.300 -0.059 0.000 1.265 76 I CB 0.683 38.597 38.000 -0.143 0.000 1.387 76 I HN 0.206 nan 8.210 nan 0.000 0.475 77 L N 6.772 128.038 121.223 0.072 0.000 2.322 77 L HA 0.650 4.991 4.340 0.001 0.000 0.269 77 L C -0.387 176.508 176.870 0.041 0.000 1.012 77 L CA -1.046 53.809 54.840 0.025 0.000 0.815 77 L CB 2.197 44.212 42.059 -0.073 0.000 1.295 77 L HN 0.308 nan 8.230 nan 0.000 0.438 78 V N 1.622 121.491 119.914 -0.076 0.000 2.459 78 V HA 0.545 4.666 4.120 0.001 0.000 0.295 78 V C -1.087 174.832 176.094 -0.293 0.000 1.029 78 V CA -0.224 62.029 62.300 -0.079 0.000 0.874 78 V CB 1.493 33.330 31.823 0.022 0.000 0.985 78 V HN 0.486 nan 8.190 nan 0.000 0.438 79 F N 5.170 124.839 119.950 -0.468 0.000 2.480 79 F HA 0.499 5.027 4.527 0.001 0.000 0.329 79 F C 0.459 175.957 175.800 -0.503 0.000 1.091 79 F CA -0.557 57.083 58.000 -0.601 0.000 0.972 79 F CB 1.731 40.011 39.000 -1.201 0.000 1.150 79 F HN 0.548 nan 8.300 nan 0.000 0.467 80 N N 2.011 120.655 118.700 -0.093 0.000 2.419 80 N HA 0.240 4.981 4.740 0.001 0.000 0.264 80 N C 0.425 175.898 175.510 -0.062 0.000 1.031 80 N CA 0.114 53.157 53.050 -0.011 0.000 0.951 80 N CB 1.811 40.363 38.487 0.109 0.000 1.101 80 N HN 0.822 nan 8.380 nan 0.000 0.488 81 A N 3.828 126.562 122.820 -0.144 0.000 1.933 81 A HA -0.179 4.141 4.320 0.001 0.000 0.218 81 A C 1.899 179.260 177.584 -0.372 0.000 1.175 81 A CA 1.603 53.471 52.037 -0.281 0.000 0.628 81 A CB -0.480 18.142 19.000 -0.629 0.000 0.814 81 A HN 0.832 nan 8.150 nan 0.000 0.444 82 E N -0.905 119.055 120.200 -0.400 0.000 2.058 82 E HA -0.197 4.153 4.350 0.001 0.000 0.194 82 E C 1.392 177.712 176.600 -0.466 0.000 0.997 82 E CA 1.999 58.160 56.400 -0.397 0.000 0.801 82 E CB -0.386 28.986 29.700 -0.546 0.000 0.746 82 E HN 0.757 nan 8.360 nan 0.000 0.450 83 Y N -2.256 118.054 120.300 0.017 0.000 2.462 83 Y HA 0.352 4.903 4.550 0.001 0.000 0.253 83 Y C 1.605 177.515 175.900 0.017 0.000 1.095 83 Y CA 0.034 58.145 58.100 0.018 0.000 1.283 83 Y CB 1.222 39.693 38.460 0.018 0.000 1.138 83 Y HN 0.229 nan 8.280 nan 0.000 0.522 84 G N 1.007 109.890 108.800 0.138 0.000 2.176 84 G HA2 -0.311 3.650 3.960 0.001 0.000 0.253 84 G HA3 -0.311 3.650 3.960 0.001 0.000 0.253 84 G C -0.046 174.961 174.900 0.179 0.000 0.979 84 G CA 0.139 45.331 45.100 0.153 0.000 0.641 84 G HN 0.438 nan 8.290 nan 0.000 0.530 85 N N 0.749 119.519 118.700 0.117 0.000 2.482 85 N HA 0.517 5.257 4.740 0.001 0.000 0.260 85 N C 0.128 175.562 175.510 -0.126 0.000 1.236 85 N CA 0.750 53.808 53.050 0.014 0.000 0.938 85 N CB 1.510 40.003 38.487 0.011 0.000 1.128 85 N HN 0.943 nan 8.380 nan 0.000 0.448 86 S N -0.115 115.421 115.700 -0.274 0.000 2.697 86 S HA 0.772 5.243 4.470 0.001 0.000 0.289 86 S C -0.867 173.545 174.600 -0.313 0.000 1.149 86 S CA -0.804 57.086 58.200 -0.517 0.000 0.850 86 S CB 1.598 64.064 63.200 -1.223 0.000 1.151 86 S HN 0.632 nan 8.310 nan 0.000 0.491 87 S N -0.095 115.431 115.700 -0.291 0.000 2.579 87 S HA 0.601 5.072 4.470 0.001 0.000 0.272 87 S C -0.947 173.574 174.600 -0.132 0.000 1.141 87 S CA -0.728 57.374 58.200 -0.163 0.000 0.843 87 S CB 1.604 64.745 63.200 -0.099 0.000 1.122 87 S HN 0.755 nan 8.310 nan 0.000 0.468 88 V N 2.592 122.451 119.914 -0.093 0.000 2.614 88 V HA 0.225 4.346 4.120 0.001 0.000 0.291 88 V C 0.362 176.448 176.094 -0.013 0.000 1.049 88 V CA 0.288 62.555 62.300 -0.055 0.000 1.038 88 V CB 0.591 32.372 31.823 -0.070 0.000 0.980 88 V HN 0.955 nan 8.190 nan 0.000 0.481 89 F N 4.667 124.555 119.950 -0.103 0.000 2.453 89 F HA 0.478 5.006 4.527 0.001 0.000 0.284 89 F C 0.220 175.972 175.800 -0.081 0.000 1.065 89 F CA 0.382 58.333 58.000 -0.082 0.000 1.411 89 F CB 0.689 39.651 39.000 -0.063 0.000 1.131 89 F HN 0.373 nan 8.300 nan 0.000 0.582 90 L N 1.107 122.367 121.223 0.063 0.000 2.493 90 L HA 0.381 4.721 4.340 0.001 0.000 0.265 90 L C -1.208 175.607 176.870 -0.092 0.000 0.954 90 L CA -0.642 54.170 54.840 -0.046 0.000 0.844 90 L CB 1.465 43.559 42.059 0.058 0.000 1.302 90 L HN -0.161 nan 8.230 nan 0.000 0.405 91 E N 2.991 123.097 120.200 -0.157 0.000 2.384 91 E HA 0.093 4.443 4.350 0.001 0.000 0.266 91 E C 0.578 177.078 176.600 -0.167 0.000 1.012 91 E CA -0.028 56.278 56.400 -0.157 0.000 0.901 91 E CB 0.621 30.214 29.700 -0.178 0.000 0.967 91 E HN 0.624 nan 8.360 nan 0.000 0.435 92 N N 0.827 119.460 118.700 -0.112 0.000 2.571 92 N HA -0.139 4.602 4.740 0.001 0.000 0.189 92 N C 0.853 176.315 175.510 -0.080 0.000 1.154 92 N CA 0.747 53.749 53.050 -0.080 0.000 0.907 92 N CB 0.046 38.497 38.487 -0.060 0.000 0.977 92 N HN 0.260 nan 8.380 nan 0.000 0.449 93 S N -2.148 113.476 115.700 -0.128 0.000 2.523 93 S HA 0.096 4.567 4.470 0.001 0.000 0.217 93 S C 1.410 175.880 174.600 -0.217 0.000 0.996 93 S CA -0.160 57.967 58.200 -0.122 0.000 0.921 93 S CB -0.400 62.741 63.200 -0.098 0.000 0.829 93 S HN 0.101 nan 8.310 nan 0.000 0.495 94 T N 2.027 116.341 114.554 -0.399 0.000 2.760 94 T HA -0.037 4.314 4.350 0.001 0.000 0.269 94 T C 0.211 174.417 174.700 -0.823 0.000 1.047 94 T CA 1.479 63.154 62.100 -0.709 0.000 1.139 94 T CB -0.491 67.683 68.868 -1.155 0.000 0.855 94 T HN 0.581 nan 8.240 nan 0.000 0.471 95 F N 0.705 120.553 119.950 -0.170 0.000 2.772 95 F HA 0.358 4.886 4.527 0.001 0.000 0.302 95 F C 1.291 177.087 175.800 -0.006 0.000 1.136 95 F CA -1.284 56.654 58.000 -0.102 0.000 1.322 95 F CB -0.190 38.672 39.000 -0.231 0.000 0.967 95 F HN -0.074 nan 8.300 nan 0.000 0.513 96 D N 1.257 121.685 120.400 0.048 0.000 2.149 96 D HA -0.202 4.439 4.640 0.001 0.000 0.194 96 D C 0.874 177.211 176.300 0.062 0.000 1.001 96 D CA 1.614 55.637 54.000 0.038 0.000 0.849 96 D CB 0.119 40.912 40.800 -0.012 0.000 0.939 96 D HN 0.406 nan 8.370 nan 0.000 0.449 97 E N -1.123 119.121 120.200 0.074 0.000 2.815 97 E HA 0.086 4.437 4.350 0.001 0.000 0.211 97 E C 0.467 177.109 176.600 0.070 0.000 1.004 97 E CA -0.396 56.030 56.400 0.044 0.000 1.173 97 E CB 0.050 29.755 29.700 0.008 0.000 1.163 97 E HN 0.108 nan 8.360 nan 0.000 0.449 98 F N 0.966 120.914 119.950 -0.003 0.000 2.269 98 F HA -0.010 4.518 4.527 0.001 0.000 0.301 98 F C 1.786 177.488 175.800 -0.163 0.000 1.082 98 F CA 1.921 59.910 58.000 -0.019 0.000 1.360 98 F CB 0.069 39.074 39.000 0.007 0.000 1.041 98 F HN 0.267 nan 8.300 nan 0.000 0.512 99 G N -1.170 107.431 108.800 -0.331 0.000 2.268 99 G HA2 -0.248 3.713 3.960 0.001 0.000 0.240 99 G HA3 -0.248 3.713 3.960 0.001 0.000 0.240 99 G C 0.299 174.773 174.900 -0.710 0.000 1.010 99 G CA 0.353 45.108 45.100 -0.575 0.000 0.618 99 G HN 0.555 nan 8.290 nan 0.000 0.516 100 H N -0.113 118.752 119.070 -0.340 0.000 2.797 100 H HA 0.656 5.213 4.556 0.001 0.000 0.372 100 H C -0.571 174.812 175.328 0.092 0.000 1.168 100 H CA -0.012 55.937 56.048 -0.164 0.000 1.163 100 H CB 1.691 31.174 29.762 -0.465 0.000 1.778 100 H HN 0.128 nan 8.280 nan 0.000 0.551 101 S N 2.002 117.837 115.700 0.224 0.000 2.416 101 S HA 0.252 4.723 4.470 0.001 0.000 0.287 101 S C 0.307 175.010 174.600 0.172 0.000 1.139 101 S CA -0.740 57.555 58.200 0.159 0.000 1.058 101 S CB -0.807 62.457 63.200 0.107 0.000 0.967 101 S HN 0.335 nan 8.310 nan 0.000 0.495 102 I N 5.464 126.097 120.570 0.105 0.000 2.505 102 I HA 0.083 4.254 4.170 0.001 0.000 0.287 102 I C 1.516 177.647 176.117 0.023 0.000 1.104 102 I CA -0.225 61.094 61.300 0.032 0.000 1.387 102 I CB 0.399 38.315 38.000 -0.140 0.000 1.404 102 I HN 0.683 nan 8.210 nan 0.000 0.528 103 N N 3.801 122.515 118.700 0.024 0.000 2.250 103 N HA -0.080 4.661 4.740 0.001 0.000 0.181 103 N C 0.046 175.522 175.510 -0.057 0.000 1.017 103 N CA 1.083 54.100 53.050 -0.055 0.000 0.866 103 N CB 0.412 38.837 38.487 -0.103 0.000 0.985 103 N HN 0.716 nan 8.380 nan 0.000 0.429 104 D N -2.741 117.657 120.400 -0.004 0.000 2.710 104 D HA 0.146 4.787 4.640 0.001 0.000 0.276 104 D C -1.761 174.601 176.300 0.104 0.000 1.267 104 D CA -0.537 53.481 54.000 0.029 0.000 0.772 104 D CB 0.681 41.464 40.800 -0.028 0.000 1.299 104 D HN 0.085 nan 8.370 nan 0.000 0.421 105 Y N -1.018 119.296 120.300 0.024 0.000 2.576 105 Y HA 0.773 5.323 4.550 0.001 0.000 0.346 105 Y C -1.105 174.868 175.900 0.122 0.000 1.018 105 Y CA -0.959 57.173 58.100 0.053 0.000 1.050 105 Y CB 1.935 40.409 38.460 0.023 0.000 1.280 105 Y HN 0.141 nan 8.280 nan 0.000 0.474 106 S N 3.115 118.955 115.700 0.233 0.000 2.737 106 S HA 0.528 4.998 4.470 0.001 0.000 0.269 106 S C -1.351 173.561 174.600 0.519 0.000 1.150 106 S CA -0.586 57.751 58.200 0.229 0.000 1.077 106 S CB -0.085 63.248 63.200 0.220 0.000 1.075 106 S HN 0.701 nan 8.310 nan 0.000 0.476 107 I N 4.494 125.288 120.570 0.374 0.000 2.441 107 I HA 0.229 4.400 4.170 0.001 0.000 0.287 107 I C 1.100 177.128 176.117 -0.149 0.000 1.049 107 I CA -0.406 61.026 61.300 0.221 0.000 1.381 107 I CB 1.422 39.511 38.000 0.149 0.000 1.409 107 I HN 0.747 nan 8.210 nan 0.000 0.523 108 S N 5.905 121.221 115.700 -0.641 0.000 2.573 108 S HA 0.130 4.601 4.470 0.001 0.000 0.277 108 S C -1.791 172.513 174.600 -0.492 0.000 1.346 108 S CA -0.975 56.425 58.200 -1.335 0.000 1.034 108 S CB 0.679 62.907 63.200 -1.619 0.000 0.879 108 S HN 0.424 nan 8.310 nan 0.000 0.528 109 P HA -0.186 nan 4.420 nan 0.000 0.216 109 P C 0.816 178.064 177.300 -0.088 0.000 1.154 109 P CA 1.788 64.808 63.100 -0.132 0.000 0.865 109 P CB -0.189 31.454 31.700 -0.096 0.000 0.789 110 D N -2.266 118.076 120.400 -0.096 0.000 2.363 110 D HA 0.059 4.700 4.640 0.001 0.000 0.226 110 D C 1.442 177.728 176.300 -0.023 0.000 1.020 110 D CA 0.805 54.787 54.000 -0.030 0.000 0.892 110 D CB -1.143 39.670 40.800 0.022 0.000 0.900 110 D HN 0.253 nan 8.370 nan 0.000 0.531 111 G N 0.198 108.978 108.800 -0.034 0.000 2.184 111 G HA2 -0.426 3.535 3.960 0.001 0.000 0.264 111 G HA3 -0.426 3.535 3.960 0.001 0.000 0.264 111 G C 1.034 175.941 174.900 0.012 0.000 0.975 111 G CA 0.555 45.720 45.100 0.108 0.000 0.642 111 G HN 0.462 nan 8.290 nan 0.000 0.536 112 Q N -1.449 118.228 119.800 -0.205 0.000 2.245 112 Q HA 0.305 4.646 4.340 0.001 0.000 0.201 112 Q C 0.408 175.887 176.000 -0.867 0.000 0.955 112 Q CA 0.800 56.260 55.803 -0.571 0.000 0.870 112 Q CB 0.191 28.467 28.738 -0.770 0.000 0.945 112 Q HN 0.591 nan 8.270 nan 0.000 0.461 113 F N -1.017 118.873 119.950 -0.099 0.000 2.650 113 F HA 0.540 5.068 4.527 0.001 0.000 0.320 113 F C -0.626 175.280 175.800 0.175 0.000 1.091 113 F CA -1.279 56.742 58.000 0.035 0.000 0.962 113 F CB 1.598 40.633 39.000 0.059 0.000 1.363 113 F HN -0.240 nan 8.300 nan 0.000 0.482 114 I N 2.348 123.282 120.570 0.606 0.000 2.548 114 I HA 0.451 4.622 4.170 0.001 0.000 0.287 114 I C -1.987 174.458 176.117 0.548 0.000 1.103 114 I CA -0.952 60.687 61.300 0.563 0.000 1.049 114 I CB 1.484 39.773 38.000 0.483 0.000 1.232 114 I HN 0.515 nan 8.210 nan 0.000 0.429 115 L N 8.331 129.890 121.223 0.560 0.000 2.281 115 L HA 0.492 4.833 4.340 0.001 0.000 0.285 115 L C -1.193 175.817 176.870 0.233 0.000 1.074 115 L CA 0.029 55.064 54.840 0.325 0.000 0.817 115 L CB 0.975 43.119 42.059 0.142 0.000 1.168 115 L HN 0.501 nan 8.230 nan 0.000 0.434 116 L N 5.113 126.409 121.223 0.122 0.000 2.282 116 L HA 0.481 4.822 4.340 0.001 0.000 0.288 116 L C -0.006 176.929 176.870 0.108 0.000 1.033 116 L CA -0.407 54.410 54.840 -0.038 0.000 0.807 116 L CB 1.450 43.232 42.059 -0.462 0.000 1.209 116 L HN 0.628 nan 8.230 nan 0.000 0.423 117 E N 3.845 124.078 120.200 0.054 0.000 2.166 117 E HA 0.471 4.822 4.350 0.001 0.000 0.275 117 E C -1.637 174.969 176.600 0.010 0.000 0.941 117 E CA -0.504 55.809 56.400 -0.145 0.000 0.784 117 E CB 1.214 30.887 29.700 -0.044 0.000 1.115 117 E HN 0.439 nan 8.360 nan 0.000 0.399 118 Y N 1.492 121.628 120.300 -0.274 0.000 2.705 118 Y HA 0.433 4.984 4.550 0.001 0.000 0.332 118 Y C -0.287 175.526 175.900 -0.144 0.000 1.221 118 Y CA -1.599 56.426 58.100 -0.124 0.000 1.059 118 Y CB 0.514 38.967 38.460 -0.010 0.000 1.298 118 Y HN 0.522 nan 8.280 nan 0.000 0.459 119 N N -0.233 118.469 118.700 0.004 0.000 2.754 119 N HA -0.290 4.451 4.740 0.001 0.000 0.248 119 N C -1.030 174.439 175.510 -0.068 0.000 1.093 119 N CA 0.981 53.983 53.050 -0.079 0.000 0.699 119 N CB -1.525 36.801 38.487 -0.268 0.000 1.016 119 N HN 0.882 nan 8.380 nan 0.000 0.552 120 Y N 0.105 120.329 120.300 -0.126 0.000 2.526 120 Y HA 0.305 4.855 4.550 0.001 0.000 0.330 120 Y C 0.025 175.882 175.900 -0.072 0.000 1.156 120 Y CA 0.016 58.039 58.100 -0.128 0.000 1.419 120 Y CB 0.724 39.062 38.460 -0.205 0.000 1.250 120 Y HN -0.017 nan 8.280 nan 0.000 0.540 121 V N 8.064 127.606 119.914 -0.621 0.000 2.488 121 V HA 0.187 4.307 4.120 0.001 0.000 0.293 121 V C -0.328 175.384 176.094 -0.638 0.000 1.027 121 V CA -1.406 60.612 62.300 -0.470 0.000 0.862 121 V CB 1.311 33.002 31.823 -0.221 0.000 1.008 121 V HN 0.766 nan 8.190 nan 0.000 0.428 122 K N 3.628 123.650 120.400 -0.630 0.000 2.436 122 K HA 0.189 4.510 4.320 0.001 0.000 0.275 122 K C 0.389 176.834 176.600 -0.258 0.000 0.999 122 K CA 0.309 56.381 56.287 -0.359 0.000 0.980 122 K CB 1.143 33.623 32.500 -0.034 0.000 0.919 122 K HN 0.817 nan 8.250 nan 0.000 0.484 123 Q N 2.914 122.549 119.800 -0.274 0.000 2.991 123 Q HA 0.179 4.520 4.340 0.001 0.000 0.226 123 Q C -0.003 175.779 176.000 -0.362 0.000 1.132 123 Q CA -0.412 55.047 55.803 -0.574 0.000 0.378 123 Q CB 0.109 28.335 28.738 -0.854 0.000 5.333 123 Q HN 0.719 nan 8.270 nan 0.000 0.348 124 W N 0.246 121.542 121.300 -0.006 0.000 1.763 124 W HA 0.291 4.952 4.660 0.001 0.000 0.619 124 W C 1.841 178.341 176.519 -0.033 0.000 1.755 124 W CA -0.491 56.875 57.345 0.035 0.000 1.933 124 W CB -0.157 29.282 29.460 -0.036 0.000 3.002 124 W HN 0.375 nan 8.180 nan 0.000 0.782 125 R N -0.590 119.996 120.500 0.143 0.000 2.096 125 R HA -0.150 4.191 4.340 0.001 0.000 0.235 125 R C 1.638 177.742 176.300 -0.326 0.000 1.127 125 R CA 1.972 57.972 56.100 -0.165 0.000 0.968 125 R CB -0.438 29.626 30.300 -0.393 0.000 0.861 125 R HN 0.470 nan 8.270 nan 0.000 0.440 126 H N -1.216 117.921 119.070 0.113 0.000 2.927 126 H HA 0.218 4.775 4.556 0.001 0.000 0.255 126 H C 0.343 175.753 175.328 0.136 0.000 0.974 126 H CA 0.492 56.625 56.048 0.143 0.000 1.199 126 H CB 0.331 30.149 29.762 0.095 0.000 1.447 126 H HN 0.211 nan 8.280 nan 0.000 0.467 127 S N 1.265 116.957 115.700 -0.013 0.000 2.592 127 S HA 0.425 4.896 4.470 0.001 0.000 0.271 127 S C -0.335 174.162 174.600 -0.172 0.000 1.326 127 S CA -0.487 57.439 58.200 -0.457 0.000 1.024 127 S CB 0.941 63.286 63.200 -1.426 0.000 0.921 127 S HN 0.438 nan 8.310 nan 0.000 0.527 128 Y N -2.269 117.908 120.300 -0.204 0.000 2.732 128 Y HA 0.654 5.205 4.550 0.001 0.000 0.342 128 Y C -0.789 175.106 175.900 -0.008 0.000 1.203 128 Y CA -0.871 57.103 58.100 -0.209 0.000 1.092 128 Y CB 0.478 38.763 38.460 -0.293 0.000 1.345 128 Y HN 0.901 nan 8.280 nan 0.000 0.458 129 T N -0.087 114.544 114.554 0.130 0.000 2.942 129 T HA 1.026 5.377 4.350 0.001 0.000 0.289 129 T C -0.487 174.312 174.700 0.164 0.000 1.044 129 T CA -0.173 62.012 62.100 0.141 0.000 1.023 129 T CB 1.778 70.675 68.868 0.048 0.000 1.123 129 T HN 1.973 nan 8.240 nan 0.000 0.512 130 A N 0.723 123.603 122.820 0.100 0.000 2.540 130 A HA 0.743 5.064 4.320 0.001 0.000 0.291 130 A C -0.681 176.688 177.584 -0.358 0.000 1.083 130 A CA -0.985 50.959 52.037 -0.155 0.000 0.650 130 A CB 0.925 19.814 19.000 -0.186 0.000 1.292 130 A HN 0.886 nan 8.150 nan 0.000 0.435 131 S N -0.624 114.628 115.700 -0.747 0.000 2.593 131 S HA 0.826 5.296 4.470 0.001 0.000 0.297 131 S C -1.431 172.506 174.600 -1.105 0.000 1.112 131 S CA -0.097 57.600 58.200 -0.839 0.000 1.043 131 S CB 0.711 63.217 63.200 -1.156 0.000 1.054 131 S HN 0.463 nan 8.310 nan 0.000 0.516 132 Y N -0.010 120.074 120.300 -0.360 0.000 2.553 132 Y HA 0.523 5.074 4.550 0.001 0.000 0.347 132 Y C -0.139 175.800 175.900 0.065 0.000 1.019 132 Y CA -0.913 57.121 58.100 -0.110 0.000 1.032 132 Y CB 1.772 40.111 38.460 -0.201 0.000 1.284 132 Y HN 0.510 nan 8.280 nan 0.000 0.466 133 D N 1.716 122.306 120.400 0.316 0.000 2.732 133 D HA 0.546 5.187 4.640 0.001 0.000 0.229 133 D C -1.181 175.226 176.300 0.178 0.000 1.152 133 D CA -0.343 53.808 54.000 0.252 0.000 0.854 133 D CB 2.860 43.883 40.800 0.372 0.000 1.590 133 D HN 0.401 nan 8.370 nan 0.000 0.468 134 I N 1.964 122.634 120.570 0.165 0.000 2.406 134 I HA 0.247 4.418 4.170 0.001 0.000 0.290 134 I C -0.990 175.318 176.117 0.317 0.000 0.999 134 I CA -0.918 60.509 61.300 0.211 0.000 1.124 134 I CB 1.574 39.627 38.000 0.088 0.000 1.289 134 I HN 0.246 nan 8.210 nan 0.000 0.441 135 Y N 5.796 126.261 120.300 0.275 0.000 2.341 135 Y HA 0.306 4.856 4.550 0.001 0.000 0.337 135 Y C -0.199 175.940 175.900 0.398 0.000 1.014 135 Y CA -0.615 57.674 58.100 0.316 0.000 1.111 135 Y CB 1.223 39.913 38.460 0.384 0.000 1.194 135 Y HN 0.494 nan 8.280 nan 0.000 0.462 136 D N 6.226 126.533 120.400 -0.156 0.000 2.316 136 D HA 0.098 4.739 4.640 0.001 0.000 0.245 136 D C 0.561 176.587 176.300 -0.458 0.000 1.171 136 D CA 0.187 54.140 54.000 -0.077 0.000 0.856 136 D CB 1.137 41.927 40.800 -0.017 0.000 1.090 136 D HN 0.885 nan 8.370 nan 0.000 0.476 137 L N 3.754 124.825 121.223 -0.254 0.000 2.156 137 L HA -0.098 4.242 4.340 0.001 0.000 0.208 137 L C 2.133 178.860 176.870 -0.238 0.000 1.095 137 L CA 0.374 55.118 54.840 -0.159 0.000 0.770 137 L CB -0.258 41.737 42.059 -0.106 0.000 0.914 137 L HN 0.377 nan 8.230 nan 0.000 0.439 138 N N 1.247 119.768 118.700 -0.299 0.000 2.062 138 N HA -0.166 4.575 4.740 0.001 0.000 0.191 138 N C 1.502 176.900 175.510 -0.187 0.000 1.042 138 N CA 1.416 54.325 53.050 -0.235 0.000 0.845 138 N CB -0.209 38.130 38.487 -0.246 0.000 1.024 138 N HN 0.452 nan 8.380 nan 0.000 0.424 139 K N 1.103 121.388 120.400 -0.192 0.000 2.469 139 K HA 0.176 4.497 4.320 0.001 0.000 0.201 139 K C -0.341 176.151 176.600 -0.179 0.000 1.028 139 K CA -0.223 55.975 56.287 -0.147 0.000 1.170 139 K CB 0.366 32.803 32.500 -0.105 0.000 0.874 139 K HN -0.170 nan 8.250 nan 0.000 0.507 140 R N 1.345 121.693 120.500 -0.254 0.000 3.266 140 R HA -0.157 4.183 4.340 0.001 0.000 0.245 140 R C -0.849 175.267 176.300 -0.307 0.000 0.941 140 R CA 0.923 56.870 56.100 -0.255 0.000 0.638 140 R CB -2.028 28.249 30.300 -0.038 0.000 1.019 140 R HN 0.588 nan 8.270 nan 0.000 0.462 141 Q N -0.110 119.378 119.800 -0.522 0.000 2.397 141 Q HA 0.436 4.777 4.340 0.001 0.000 0.275 141 Q C -0.368 175.501 176.000 -0.219 0.000 1.090 141 Q CA -1.229 54.436 55.803 -0.230 0.000 0.809 141 Q CB 2.323 31.005 28.738 -0.093 0.000 1.362 141 Q HN 0.146 nan 8.270 nan 0.000 0.431 142 L N 2.384 123.690 121.223 0.139 0.000 2.290 142 L HA 0.375 4.715 4.340 0.001 0.000 0.284 142 L C -0.420 176.543 176.870 0.156 0.000 1.078 142 L CA -0.003 55.014 54.840 0.295 0.000 0.815 142 L CB 0.484 42.791 42.059 0.413 0.000 1.162 142 L HN 0.547 nan 8.230 nan 0.000 0.435 143 I N 4.703 125.355 120.570 0.136 0.000 2.533 143 I HA 0.051 4.221 4.170 0.001 0.000 0.284 143 I C 0.955 177.113 176.117 0.069 0.000 1.109 143 I CA 0.351 61.694 61.300 0.072 0.000 1.412 143 I CB 0.734 38.753 38.000 0.031 0.000 1.396 143 I HN 0.809 nan 8.210 nan 0.000 0.543 144 T N 0.932 115.511 114.554 0.043 0.000 3.010 144 T HA 0.168 4.519 4.350 0.001 0.000 0.257 144 T C 0.339 175.039 174.700 0.000 0.000 1.020 144 T CA -0.459 61.660 62.100 0.032 0.000 0.938 144 T CB -0.054 68.836 68.868 0.035 0.000 1.049 144 T HN 0.659 nan 8.240 nan 0.000 0.522 145 E N 1.549 121.742 120.200 -0.011 0.000 2.202 145 E HA 0.461 4.811 4.350 0.001 0.000 0.272 145 E C -0.695 175.873 176.600 -0.053 0.000 0.951 145 E CA -1.031 55.351 56.400 -0.030 0.000 0.813 145 E CB 0.755 30.441 29.700 -0.023 0.000 1.151 145 E HN -0.094 nan 8.360 nan 0.000 0.398 146 E N 1.075 121.232 120.200 -0.072 0.000 2.269 146 E HA -0.229 4.121 4.350 0.001 0.000 0.223 146 E C -0.619 175.903 176.600 -0.132 0.000 1.244 146 E CA 0.821 57.160 56.400 -0.101 0.000 0.713 146 E CB -1.486 28.163 29.700 -0.086 0.000 1.178 146 E HN 0.684 nan 8.360 nan 0.000 0.370 147 R N -0.476 119.941 120.500 -0.140 0.000 2.531 147 R HA 0.540 4.880 4.340 0.001 0.000 0.273 147 R C 0.967 177.088 176.300 -0.297 0.000 1.070 147 R CA -0.763 55.236 56.100 -0.169 0.000 1.112 147 R CB 0.702 30.944 30.300 -0.097 0.000 1.049 147 R HN 0.011 nan 8.270 nan 0.000 0.508 148 I N 2.536 122.883 120.570 -0.372 0.000 2.775 148 I HA -0.014 4.157 4.170 0.001 0.000 0.290 148 I C -1.698 174.098 176.117 -0.534 0.000 1.203 148 I CA -1.421 59.493 61.300 -0.643 0.000 1.433 148 I CB 0.161 37.779 38.000 -0.637 0.000 1.354 148 I HN 0.408 nan 8.210 nan 0.000 0.579 149 P HA 0.037 nan 4.420 nan 0.000 0.270 149 P C -0.617 176.461 177.300 -0.372 0.000 1.223 149 P CA -0.220 62.462 63.100 -0.695 0.000 0.785 149 P CB 0.398 31.217 31.700 -1.468 0.000 0.923 150 N N 2.227 120.798 118.700 -0.214 0.000 2.467 150 N HA 0.059 4.800 4.740 0.001 0.000 0.262 150 N C 0.273 175.847 175.510 0.107 0.000 1.234 150 N CA 0.114 53.111 53.050 -0.088 0.000 0.952 150 N CB -0.062 38.383 38.487 -0.070 0.000 1.158 150 N HN 0.417 nan 8.380 nan 0.000 0.463 151 N N -0.459 118.281 118.700 0.066 0.000 2.776 151 N HA -0.150 4.591 4.740 0.001 0.000 0.249 151 N C -0.816 174.854 175.510 0.267 0.000 1.111 151 N CA 0.692 53.825 53.050 0.137 0.000 0.711 151 N CB -1.625 36.953 38.487 0.153 0.000 1.065 151 N HN 0.468 nan 8.380 nan 0.000 0.556 152 T N 0.780 115.487 114.554 0.254 0.000 2.901 152 T HA 0.124 4.475 4.350 0.001 0.000 0.301 152 T C 1.706 176.555 174.700 0.249 0.000 1.012 152 T CA 0.071 62.353 62.100 0.303 0.000 1.135 152 T CB 1.200 70.169 68.868 0.168 0.000 0.936 152 T HN 0.163 nan 8.240 nan 0.000 0.539 153 Q N 1.751 121.682 119.800 0.218 0.000 2.354 153 Q HA 0.156 4.497 4.340 0.001 0.000 0.203 153 Q C 0.106 176.223 176.000 0.196 0.000 0.933 153 Q CA 0.383 56.308 55.803 0.204 0.000 0.901 153 Q CB 0.757 29.550 28.738 0.090 0.000 1.007 153 Q HN 0.695 nan 8.270 nan 0.000 0.495 154 W N -0.529 120.707 121.300 -0.107 0.000 3.645 154 W HA 0.461 5.122 4.660 0.001 0.000 0.285 154 W C -2.401 174.018 176.519 -0.166 0.000 1.266 154 W CA -0.694 56.543 57.345 -0.179 0.000 1.212 154 W CB 1.043 30.333 29.460 -0.284 0.000 1.306 154 W HN -0.293 nan 8.180 nan 0.000 0.552 155 V N 4.236 123.393 119.914 -1.263 0.000 3.012 155 V HA 0.824 4.945 4.120 0.001 0.000 0.307 155 V C -1.568 173.827 176.094 -1.165 0.000 1.166 155 V CA -0.068 61.636 62.300 -0.993 0.000 0.974 155 V CB 2.331 33.534 31.823 -1.033 0.000 1.040 155 V HN 0.634 nan 8.190 nan 0.000 0.428 156 T N 5.226 119.430 114.554 -0.584 0.000 3.097 156 T HA 0.468 4.818 4.350 0.001 0.000 0.332 156 T C -1.231 173.483 174.700 0.024 0.000 1.269 156 T CA -0.308 61.641 62.100 -0.252 0.000 1.076 156 T CB 0.704 69.638 68.868 0.109 0.000 1.209 156 T HN 0.715 nan 8.240 nan 0.000 0.474 157 W N 2.988 124.321 121.300 0.055 0.000 2.034 157 W HA 0.439 5.100 4.660 0.001 0.000 0.357 157 W C 1.266 177.704 176.519 -0.135 0.000 1.326 157 W CA -0.499 56.854 57.345 0.012 0.000 1.318 157 W CB 0.506 29.963 29.460 -0.005 0.000 1.193 157 W HN 0.783 nan 8.180 nan 0.000 0.620 158 S N 1.453 116.999 115.700 -0.257 0.000 2.614 158 S HA 0.162 4.633 4.470 0.001 0.000 0.265 158 S C -1.487 172.834 174.600 -0.464 0.000 1.303 158 S CA -1.081 56.375 58.200 -1.240 0.000 1.000 158 S CB 0.969 63.353 63.200 -1.360 0.000 0.935 158 S HN 0.378 nan 8.310 nan 0.000 0.551 159 P HA 0.012 nan 4.420 nan 0.000 0.220 159 P C 0.039 177.280 177.300 -0.098 0.000 1.148 159 P CA 0.776 63.815 63.100 -0.101 0.000 0.803 159 P CB 0.002 31.685 31.700 -0.028 0.000 0.782 160 V N -1.738 118.068 119.914 -0.179 0.000 3.040 160 V HA 0.624 4.745 4.120 0.001 0.000 0.312 160 V C 0.952 176.936 176.094 -0.183 0.000 1.115 160 V CA 0.029 62.248 62.300 -0.135 0.000 0.998 160 V CB 1.001 32.757 31.823 -0.112 0.000 1.042 160 V HN 0.422 nan 8.190 nan 0.000 0.433 161 G N 2.084 110.800 108.800 -0.140 0.000 2.556 161 G HA2 -0.236 3.724 3.960 0.001 0.000 0.283 161 G HA3 -0.236 3.724 3.960 0.001 0.000 0.283 161 G C 0.188 175.008 174.900 -0.135 0.000 1.177 161 G CA 0.748 45.742 45.100 -0.176 0.000 0.978 161 G HN 1.918 nan 8.290 nan 0.000 0.554 162 H N -0.486 118.573 119.070 -0.019 0.000 3.233 162 H HA 0.399 4.955 4.556 0.001 0.000 0.232 162 H C 0.187 175.715 175.328 0.332 0.000 1.322 162 H CA -0.086 56.010 56.048 0.080 0.000 1.043 162 H CB -0.371 29.475 29.762 0.139 0.000 2.572 162 H HN 0.545 nan 8.280 nan 0.000 0.597 163 K N 1.520 121.987 120.400 0.111 0.000 2.168 163 K HA 0.541 4.862 4.320 0.001 0.000 0.258 163 K C -0.317 176.453 176.600 0.284 0.000 1.010 163 K CA -0.490 55.880 56.287 0.137 0.000 0.929 163 K CB 1.758 34.205 32.500 -0.089 0.000 0.998 163 K HN 0.098 nan 8.250 nan 0.000 0.479 164 L N 0.646 122.032 121.223 0.272 0.000 2.370 164 L HA 0.635 4.976 4.340 0.001 0.000 0.266 164 L C -1.020 176.047 176.870 0.330 0.000 1.002 164 L CA -0.901 54.041 54.840 0.169 0.000 0.818 164 L CB 2.183 44.176 42.059 -0.109 0.000 1.325 164 L HN 0.726 nan 8.230 nan 0.000 0.418 165 A N 2.121 125.096 122.820 0.257 0.000 2.398 165 A HA 0.800 5.121 4.320 0.001 0.000 0.301 165 A C -1.686 175.899 177.584 0.001 0.000 1.041 165 A CA -0.379 51.698 52.037 0.066 0.000 0.711 165 A CB 1.241 20.175 19.000 -0.111 0.000 1.240 165 A HN 0.641 nan 8.150 nan 0.000 0.420 166 Y N -0.559 119.681 120.300 -0.102 0.000 2.615 166 Y HA 0.796 5.347 4.550 0.001 0.000 0.341 166 Y C -1.186 174.718 175.900 0.006 0.000 1.089 166 Y CA -1.616 56.404 58.100 -0.134 0.000 1.049 166 Y CB 1.171 39.487 38.460 -0.240 0.000 1.296 166 Y HN 0.410 nan 8.280 nan 0.000 0.470 167 V N 1.910 121.930 119.914 0.176 0.000 2.495 167 V HA 0.405 4.526 4.120 0.001 0.000 0.298 167 V C -1.440 174.852 176.094 0.330 0.000 1.031 167 V CA -0.628 61.758 62.300 0.143 0.000 0.871 167 V CB 1.411 33.235 31.823 0.003 0.000 0.988 167 V HN 0.883 nan 8.190 nan 0.000 0.432 168 W N 4.525 125.905 121.300 0.133 0.000 3.129 168 W HA 0.459 5.120 4.660 0.001 0.000 0.333 168 W C 0.287 176.849 176.519 0.071 0.000 1.141 168 W CA -0.791 56.609 57.345 0.092 0.000 1.224 168 W CB 1.291 30.780 29.460 0.049 0.000 1.393 168 W HN 0.779 nan 8.180 nan 0.000 0.499 169 N N 5.394 123.716 118.700 -0.630 0.000 2.716 169 N HA -0.363 4.378 4.740 0.001 0.000 0.250 169 N C 0.135 175.473 175.510 -0.286 0.000 1.033 169 N CA 1.067 53.759 53.050 -0.597 0.000 0.727 169 N CB -1.044 36.886 38.487 -0.929 0.000 0.950 169 N HN 0.812 nan 8.380 nan 0.000 0.541 170 N N -2.001 116.592 118.700 -0.180 0.000 2.828 170 N HA -0.171 4.570 4.740 0.001 0.000 0.248 170 N C -1.238 174.195 175.510 -0.129 0.000 1.044 170 N CA 1.081 54.047 53.050 -0.140 0.000 0.851 170 N CB -0.347 38.020 38.487 -0.200 0.000 1.136 170 N HN 0.445 nan 8.380 nan 0.000 0.572 171 D N 0.426 120.758 120.400 -0.113 0.000 2.433 171 D HA 0.505 5.146 4.640 0.001 0.000 0.236 171 D C 0.144 176.274 176.300 -0.283 0.000 1.026 171 D CA -0.378 53.477 54.000 -0.242 0.000 0.884 171 D CB 1.639 42.237 40.800 -0.337 0.000 1.384 171 D HN 0.014 nan 8.370 nan 0.000 0.477 172 I N 1.647 121.893 120.570 -0.540 0.000 2.396 172 I HA 0.243 4.414 4.170 0.001 0.000 0.292 172 I C -0.722 174.926 176.117 -0.781 0.000 0.999 172 I CA -0.442 60.518 61.300 -0.566 0.000 1.310 172 I CB 0.576 38.154 38.000 -0.703 0.000 1.404 172 I HN 0.157 nan 8.210 nan 0.000 0.496 173 Y N 4.152 124.062 120.300 -0.650 0.000 2.512 173 Y HA 0.641 5.192 4.550 0.001 0.000 0.348 173 Y C -0.348 175.208 175.900 -0.573 0.000 0.990 173 Y CA -0.934 56.747 58.100 -0.699 0.000 1.033 173 Y CB 2.078 39.854 38.460 -1.140 0.000 1.259 173 Y HN 0.108 nan 8.280 nan 0.000 0.461 174 V N 2.483 122.342 119.914 -0.091 0.000 2.709 174 V HA 0.479 4.600 4.120 0.001 0.000 0.308 174 V C -0.913 175.323 176.094 0.236 0.000 1.062 174 V CA -1.397 60.949 62.300 0.077 0.000 0.901 174 V CB 2.083 33.967 31.823 0.101 0.000 1.003 174 V HN 0.616 nan 8.190 nan 0.000 0.425 175 K N 4.068 124.614 120.400 0.245 0.000 2.483 175 K HA 0.499 4.820 4.320 0.001 0.000 0.256 175 K C 0.415 177.158 176.600 0.237 0.000 0.961 175 K CA -0.694 55.727 56.287 0.222 0.000 0.873 175 K CB 1.628 34.218 32.500 0.149 0.000 1.107 175 K HN 0.450 nan 8.250 nan 0.000 0.432 176 I N 1.251 121.981 120.570 0.266 0.000 2.439 176 I HA -0.081 4.090 4.170 0.001 0.000 0.251 176 I C 0.347 176.584 176.117 0.200 0.000 1.139 176 I CA 1.432 62.858 61.300 0.211 0.000 1.438 176 I CB -0.354 37.775 38.000 0.215 0.000 1.085 176 I HN 0.552 nan 8.210 nan 0.000 0.427 177 E N -0.300 120.007 120.200 0.178 0.000 2.272 177 E HA 0.283 4.634 4.350 0.001 0.000 0.269 177 E C -1.915 174.700 176.600 0.024 0.000 0.877 177 E CA -1.973 54.519 56.400 0.152 0.000 0.755 177 E CB 1.928 31.702 29.700 0.125 0.000 1.192 177 E HN -0.173 nan 8.360 nan 0.000 0.422 178 P HA -0.178 nan 4.420 nan 0.000 0.217 178 P C 0.812 178.023 177.300 -0.148 0.000 1.148 178 P CA 1.392 64.352 63.100 -0.234 0.000 0.828 178 P CB 0.309 31.617 31.700 -0.653 0.000 0.783 179 N N -1.427 117.209 118.700 -0.107 0.000 2.236 179 N HA 0.018 4.758 4.740 0.001 0.000 0.196 179 N C 0.187 175.674 175.510 -0.039 0.000 1.114 179 N CA 0.164 53.179 53.050 -0.059 0.000 0.859 179 N CB -0.205 38.263 38.487 -0.032 0.000 0.982 179 N HN 0.172 nan 8.380 nan 0.000 0.493 180 L N 1.481 122.688 121.223 -0.027 0.000 2.375 180 L HA 0.481 4.822 4.340 0.001 0.000 0.268 180 L C -2.038 174.793 176.870 -0.065 0.000 1.058 180 L CA -2.196 52.627 54.840 -0.029 0.000 0.803 180 L CB 1.306 43.368 42.059 0.006 0.000 1.212 180 L HN -0.106 nan 8.230 nan 0.000 0.451 181 P HA 0.028 nan 4.420 nan 0.000 0.269 181 P C -0.776 176.390 177.300 -0.222 0.000 1.209 181 P CA -0.287 62.724 63.100 -0.148 0.000 0.776 181 P CB 0.839 32.445 31.700 -0.158 0.000 0.876 182 S N 1.930 117.545 115.700 -0.142 0.000 2.632 182 S HA 0.397 4.868 4.470 0.001 0.000 0.271 182 S C -0.649 173.848 174.600 -0.171 0.000 1.260 182 S CA -0.460 57.696 58.200 -0.075 0.000 1.010 182 S CB 0.149 63.415 63.200 0.110 0.000 0.965 182 S HN 0.310 nan 8.310 nan 0.000 0.534 183 Y N 0.301 120.633 120.300 0.053 0.000 2.328 183 Y HA 0.425 4.976 4.550 0.001 0.000 0.337 183 Y C 1.055 176.891 175.900 -0.107 0.000 1.008 183 Y CA -0.813 57.295 58.100 0.013 0.000 1.129 183 Y CB 0.924 39.388 38.460 0.006 0.000 1.185 183 Y HN 0.522 nan 8.280 nan 0.000 0.476 184 R N 4.024 124.486 120.500 -0.065 0.000 2.296 184 R HA 0.130 4.470 4.340 0.001 0.000 0.323 184 R C 0.371 176.409 176.300 -0.436 0.000 1.067 184 R CA 0.147 55.885 56.100 -0.603 0.000 0.946 184 R CB 0.425 30.181 30.300 -0.906 0.000 0.991 184 R HN 0.794 nan 8.270 nan 0.000 0.448 185 I N 1.645 121.872 120.570 -0.571 0.000 2.585 185 I HA -0.065 4.105 4.170 0.001 0.000 0.254 185 I C 1.299 177.200 176.117 -0.359 0.000 1.129 185 I CA 1.133 62.214 61.300 -0.366 0.000 1.455 185 I CB -0.522 37.218 38.000 -0.433 0.000 1.111 185 I HN 0.502 nan 8.210 nan 0.000 0.433 186 T N -4.019 110.182 114.554 -0.588 0.000 2.907 186 T HA 0.407 4.758 4.350 0.001 0.000 0.292 186 T C -0.592 173.789 174.700 -0.533 0.000 1.043 186 T CA -0.535 61.328 62.100 -0.395 0.000 1.003 186 T CB 2.007 70.632 68.868 -0.405 0.000 1.084 186 T HN 0.163 nan 8.240 nan 0.000 0.483 187 W N 0.064 121.249 121.300 -0.191 0.000 2.534 187 W HA 0.228 4.889 4.660 0.001 0.000 0.339 187 W C 1.880 178.343 176.519 -0.093 0.000 0.961 187 W CA -0.065 57.203 57.345 -0.128 0.000 1.545 187 W CB 0.204 29.610 29.460 -0.090 0.000 1.104 187 W HN 0.903 nan 8.180 nan 0.000 0.538 188 T N -2.446 112.151 114.554 0.071 0.000 3.107 188 T HA 0.270 4.621 4.350 0.001 0.000 0.249 188 T C 1.245 175.941 174.700 -0.007 0.000 1.096 188 T CA 0.183 62.308 62.100 0.042 0.000 1.012 188 T CB -0.203 68.688 68.868 0.038 0.000 0.977 188 T HN 0.020 nan 8.240 nan 0.000 0.527 189 G N 1.426 110.191 108.800 -0.058 0.000 2.225 189 G HA2 0.313 4.274 3.960 0.001 0.000 0.245 189 G HA3 0.313 4.274 3.960 0.001 0.000 0.245 189 G C -0.551 174.289 174.900 -0.100 0.000 1.249 189 G CA -0.356 44.687 45.100 -0.097 0.000 0.919 189 G HN 0.548 nan 8.290 nan 0.000 0.486 190 K N 2.216 122.539 120.400 -0.127 0.000 2.615 190 K HA 0.162 4.482 4.320 0.001 0.000 0.249 190 K C -0.090 176.391 176.600 -0.199 0.000 0.977 190 K CA -0.668 55.544 56.287 -0.126 0.000 0.833 190 K CB 1.444 33.907 32.500 -0.061 0.000 1.208 190 K HN 0.632 nan 8.250 nan 0.000 0.443 191 E N 3.434 123.518 120.200 -0.193 0.000 2.765 191 E HA -0.172 4.179 4.350 0.001 0.000 0.256 191 E C -0.579 175.921 176.600 -0.165 0.000 0.935 191 E CA 1.088 57.365 56.400 -0.204 0.000 0.954 191 E CB 0.248 29.867 29.700 -0.136 0.000 0.908 191 E HN 0.677 nan 8.360 nan 0.000 0.500 192 D N 2.519 122.790 120.400 -0.215 0.000 3.059 192 D HA -0.239 4.402 4.640 0.001 0.000 0.213 192 D C 0.543 176.883 176.300 0.066 0.000 1.144 192 D CA 1.323 55.324 54.000 0.001 0.000 0.975 192 D CB -0.480 40.367 40.800 0.080 0.000 1.125 192 D HN 0.429 nan 8.370 nan 0.000 0.412 193 I N -0.971 119.556 120.570 -0.072 0.000 3.669 193 I HA 0.107 4.278 4.170 0.001 0.000 0.255 193 I C 0.769 176.974 176.117 0.147 0.000 1.144 193 I CA 0.392 61.742 61.300 0.084 0.000 1.447 193 I CB 0.184 38.209 38.000 0.041 0.000 1.622 193 I HN -0.131 nan 8.210 nan 0.000 0.435 194 I N 1.808 122.380 120.570 0.003 0.000 2.362 194 I HA 0.258 4.429 4.170 0.001 0.000 0.289 194 I C -1.247 174.890 176.117 0.034 0.000 0.994 194 I CA -0.491 60.877 61.300 0.112 0.000 1.158 194 I CB 0.928 38.967 38.000 0.065 0.000 1.315 194 I HN 0.041 nan 8.210 nan 0.000 0.451 195 Y N 4.706 125.100 120.300 0.156 0.000 2.328 195 Y HA 0.393 4.944 4.550 0.001 0.000 0.333 195 Y C 0.341 176.304 175.900 0.105 0.000 0.958 195 Y CA -0.835 57.358 58.100 0.156 0.000 1.167 195 Y CB 1.049 39.686 38.460 0.295 0.000 1.151 195 Y HN 0.411 nan 8.280 nan 0.000 0.470 196 N N 2.204 120.975 118.700 0.119 0.000 2.444 196 N HA 0.344 5.085 4.740 0.001 0.000 0.262 196 N C 0.853 176.306 175.510 -0.096 0.000 0.974 196 N CA 0.405 53.452 53.050 -0.004 0.000 0.933 196 N CB 1.845 40.235 38.487 -0.162 0.000 1.137 196 N HN 0.969 nan 8.380 nan 0.000 0.498 197 G N 1.584 110.343 108.800 -0.069 0.000 2.184 197 G HA2 -0.257 3.704 3.960 0.001 0.000 0.264 197 G HA3 -0.257 3.704 3.960 0.001 0.000 0.264 197 G C 0.122 174.875 174.900 -0.244 0.000 0.975 197 G CA 0.813 45.801 45.100 -0.188 0.000 0.642 197 G HN 0.666 nan 8.290 nan 0.000 0.536 198 I N -2.009 118.495 120.570 -0.110 0.000 2.865 198 I HA 0.800 4.971 4.170 0.001 0.000 0.302 198 I C 0.279 176.477 176.117 0.136 0.000 1.140 198 I CA -0.673 60.499 61.300 -0.214 0.000 1.021 198 I CB 2.025 39.723 38.000 -0.502 0.000 1.233 198 I HN 0.157 nan 8.210 nan 0.000 0.427 199 T N -0.325 114.256 114.554 0.044 0.000 2.899 199 T HA 0.394 4.745 4.350 0.001 0.000 0.284 199 T C -0.218 174.331 174.700 -0.252 0.000 1.004 199 T CA -0.653 61.330 62.100 -0.194 0.000 1.043 199 T CB 1.340 70.156 68.868 -0.086 0.000 1.013 199 T HN 0.761 nan 8.240 nan 0.000 0.518 200 D N 0.106 120.084 120.400 -0.704 0.000 2.478 200 D HA 0.051 4.692 4.640 0.001 0.000 0.269 200 D C 0.953 177.203 176.300 -0.083 0.000 1.232 200 D CA -1.151 52.451 54.000 -0.663 0.000 1.059 200 D CB 0.149 40.477 40.800 -0.788 0.000 1.104 200 D HN 0.705 nan 8.370 nan 0.000 0.566 201 W N 0.200 121.479 121.300 -0.034 0.000 2.317 201 W HA -0.241 4.419 4.660 0.001 0.000 0.318 201 W C 2.161 178.593 176.519 -0.144 0.000 1.227 201 W CA 2.503 59.818 57.345 -0.049 0.000 1.269 201 W CB -0.436 28.931 29.460 -0.155 0.000 1.155 201 W HN 0.194 nan 8.180 nan 0.000 0.484 202 V N -0.238 119.768 119.914 0.154 0.000 2.427 202 V HA -0.290 3.831 4.120 0.001 0.000 0.248 202 V C 1.890 177.831 176.094 -0.256 0.000 1.051 202 V CA 2.035 64.301 62.300 -0.057 0.000 1.048 202 V CB -0.759 31.024 31.823 -0.065 0.000 0.666 202 V HN 0.302 nan 8.190 nan 0.000 0.456 203 Y N 0.659 120.788 120.300 -0.285 0.000 2.293 203 Y HA -0.175 4.375 4.550 0.001 0.000 0.291 203 Y C 2.574 178.373 175.900 -0.168 0.000 1.137 203 Y CA 2.105 60.041 58.100 -0.273 0.000 1.202 203 Y CB -0.047 38.122 38.460 -0.484 0.000 0.990 203 Y HN 0.406 nan 8.280 nan 0.000 0.537 204 E N 0.369 120.536 120.200 -0.056 0.000 2.031 204 E HA -0.292 4.059 4.350 0.001 0.000 0.193 204 E C 2.059 178.618 176.600 -0.069 0.000 0.994 204 E CA 1.558 57.949 56.400 -0.014 0.000 0.800 204 E CB -0.035 29.649 29.700 -0.026 0.000 0.752 204 E HN 0.392 nan 8.360 nan 0.000 0.447 205 E N 0.387 120.361 120.200 -0.376 0.000 2.047 205 E HA -0.171 4.180 4.350 0.001 0.000 0.191 205 E C 1.754 178.231 176.600 -0.204 0.000 0.987 205 E CA 1.682 57.843 56.400 -0.398 0.000 0.799 205 E CB 0.073 29.175 29.700 -0.996 0.000 0.752 205 E HN 0.249 nan 8.360 nan 0.000 0.449 206 E N -0.694 119.360 120.200 -0.244 0.000 2.415 206 E HA 0.072 4.423 4.350 0.001 0.000 0.197 206 E C 1.747 178.216 176.600 -0.219 0.000 1.007 206 E CA 0.394 56.692 56.400 -0.169 0.000 0.890 206 E CB 0.861 30.453 29.700 -0.179 0.000 0.891 206 E HN 0.216 nan 8.360 nan 0.000 0.496 207 V N -0.531 119.212 119.914 -0.284 0.000 2.870 207 V HA 0.044 4.165 4.120 0.001 0.000 0.232 207 V C 1.433 177.283 176.094 -0.406 0.000 1.161 207 V CA 0.581 62.626 62.300 -0.425 0.000 1.204 207 V CB -0.300 31.142 31.823 -0.635 0.000 1.003 207 V HN 0.013 nan 8.190 nan 0.000 0.499 208 F N 0.740 120.711 119.950 0.035 0.000 2.754 208 F HA 0.269 4.797 4.527 0.001 0.000 0.297 208 F C 1.576 177.329 175.800 -0.078 0.000 1.122 208 F CA 0.335 58.361 58.000 0.044 0.000 1.400 208 F CB -0.367 38.705 39.000 0.120 0.000 1.117 208 F HN 0.071 nan 8.300 nan 0.000 0.587 209 S N 0.498 116.188 115.700 -0.018 0.000 3.549 209 S HA 0.006 4.477 4.470 0.001 0.000 0.366 209 S C 0.056 174.197 174.600 -0.765 0.000 1.012 209 S CA 0.411 58.423 58.200 -0.313 0.000 1.141 209 S CB -1.639 61.455 63.200 -0.177 0.000 0.910 209 S HN 0.665 nan 8.310 nan 0.000 0.471 210 A N -0.452 122.170 122.820 -0.330 0.000 2.597 210 A HA 0.675 4.996 4.320 0.001 0.000 0.292 210 A C -0.345 177.214 177.584 -0.043 0.000 1.057 210 A CA -0.498 51.393 52.037 -0.243 0.000 0.674 210 A CB 0.308 19.179 19.000 -0.215 0.000 1.278 210 A HN 0.336 nan 8.150 nan 0.000 0.416 211 Y N 1.287 121.424 120.300 -0.272 0.000 2.448 211 Y HA 0.225 4.776 4.550 0.001 0.000 0.289 211 Y C 1.508 177.119 175.900 -0.481 0.000 1.114 211 Y CA 0.847 58.798 58.100 -0.249 0.000 1.235 211 Y CB 0.029 38.383 38.460 -0.176 0.000 1.045 211 Y HN 0.682 nan 8.280 nan 0.000 0.554 212 S N 0.672 115.862 115.700 -0.849 0.000 2.549 212 S HA 0.451 4.922 4.470 0.001 0.000 0.283 212 S C 0.357 174.432 174.600 -0.875 0.000 1.320 212 S CA 0.228 57.672 58.200 -1.260 0.000 1.058 212 S CB 0.463 62.624 63.200 -1.733 0.000 0.882 212 S HN 0.416 nan 8.310 nan 0.000 0.498 213 A N 5.281 127.588 122.820 -0.855 0.000 2.806 213 A HA 0.463 4.784 4.320 0.001 0.000 0.266 213 A C -0.299 176.618 177.584 -1.113 0.000 0.926 213 A CA -0.674 50.818 52.037 -0.909 0.000 1.068 213 A CB -0.286 18.605 19.000 -0.180 0.000 1.189 213 A HN 0.910 nan 8.150 nan 0.000 0.481 214 L N -4.624 115.795 121.223 -1.340 0.000 2.388 214 L HA 0.870 5.211 4.340 0.001 0.000 0.264 214 L C -1.466 174.866 176.870 -0.897 0.000 0.998 214 L CA -0.925 53.430 54.840 -0.809 0.000 0.817 214 L CB 1.781 43.587 42.059 -0.422 0.000 1.338 214 L HN 0.284 nan 8.230 nan 0.000 0.414 215 W N 1.743 123.076 121.300 0.055 0.000 2.802 215 W HA 0.302 4.963 4.660 0.001 0.000 0.331 215 W C -1.442 175.295 176.519 0.363 0.000 1.021 215 W CA -0.769 56.732 57.345 0.261 0.000 1.259 215 W CB 1.464 31.145 29.460 0.369 0.000 1.323 215 W HN 0.636 nan 8.180 nan 0.000 0.432 216 W N 2.528 124.021 121.300 0.322 0.000 2.190 216 W HA 0.225 4.886 4.660 0.001 0.000 0.330 216 W C 1.320 177.612 176.519 -0.378 0.000 1.299 216 W CA 0.271 57.654 57.345 0.063 0.000 1.215 216 W CB 0.863 30.344 29.460 0.034 0.000 1.147 216 W HN 0.184 nan 8.180 nan 0.000 0.563 217 S N 2.531 117.922 115.700 -0.514 0.000 2.600 217 S HA 0.174 4.645 4.470 0.001 0.000 0.265 217 S C -1.784 172.532 174.600 -0.472 0.000 1.325 217 S CA -1.014 56.324 58.200 -1.437 0.000 1.002 217 S CB 1.007 63.486 63.200 -1.202 0.000 0.921 217 S HN 0.288 nan 8.310 nan 0.000 0.554 218 P HA -0.187 nan 4.420 nan 0.000 0.217 218 P C 0.857 178.111 177.300 -0.077 0.000 1.158 218 P CA 1.803 64.857 63.100 -0.077 0.000 0.887 218 P CB -0.208 31.500 31.700 0.013 0.000 0.792 219 N N -2.189 116.451 118.700 -0.100 0.000 2.270 219 N HA 0.142 4.883 4.740 0.001 0.000 0.198 219 N C 1.045 176.453 175.510 -0.169 0.000 1.117 219 N CA 0.481 53.467 53.050 -0.107 0.000 0.845 219 N CB -0.715 37.728 38.487 -0.073 0.000 0.980 219 N HN 0.189 nan 8.380 nan 0.000 0.486 220 G N -1.030 107.661 108.800 -0.181 0.000 2.159 220 G HA2 -0.341 3.619 3.960 0.001 0.000 0.256 220 G HA3 -0.341 3.619 3.960 0.001 0.000 0.256 220 G C 0.946 175.812 174.900 -0.056 0.000 0.977 220 G CA 0.772 45.734 45.100 -0.230 0.000 0.652 220 G HN 0.377 nan 8.290 nan 0.000 0.531 221 T N -0.025 114.451 114.554 -0.129 0.000 2.701 221 T HA 0.209 4.559 4.350 0.001 0.000 0.263 221 T C 0.872 175.427 174.700 -0.241 0.000 1.040 221 T CA 1.324 63.258 62.100 -0.276 0.000 1.147 221 T CB -0.090 68.456 68.868 -0.537 0.000 0.865 221 T HN 0.278 nan 8.240 nan 0.000 0.426 222 F N 0.313 120.305 119.950 0.069 0.000 2.432 222 F HA 0.626 5.153 4.527 0.001 0.000 0.329 222 F C -0.195 175.699 175.800 0.157 0.000 1.076 222 F CA -1.648 56.434 58.000 0.135 0.000 1.018 222 F CB 1.065 40.207 39.000 0.237 0.000 1.201 222 F HN -0.094 nan 8.300 nan 0.000 0.489 223 L N 2.672 124.077 121.223 0.303 0.000 2.372 223 L HA 0.783 5.124 4.340 0.001 0.000 0.273 223 L C -0.650 176.316 176.870 0.159 0.000 0.989 223 L CA -0.489 54.346 54.840 -0.007 0.000 0.841 223 L CB 0.714 42.490 42.059 -0.472 0.000 1.225 223 L HN 0.660 nan 8.230 nan 0.000 0.414 224 A N 4.634 127.624 122.820 0.282 0.000 2.303 224 A HA 0.787 5.107 4.320 0.001 0.000 0.317 224 A C -1.383 176.284 177.584 0.139 0.000 1.149 224 A CA -0.221 51.856 52.037 0.068 0.000 0.822 224 A CB 0.558 19.659 19.000 0.167 0.000 1.131 224 A HN 0.884 nan 8.150 nan 0.000 0.493 225 Y N -1.810 118.294 120.300 -0.328 0.000 2.581 225 Y HA 0.742 5.293 4.550 0.001 0.000 0.337 225 Y C -0.325 175.458 175.900 -0.194 0.000 1.108 225 Y CA -0.906 57.103 58.100 -0.152 0.000 1.033 225 Y CB 0.788 39.123 38.460 -0.208 0.000 1.318 225 Y HN 0.919 nan 8.280 nan 0.000 0.459 226 A N 2.193 125.099 122.820 0.143 0.000 2.294 226 A HA 0.715 5.036 4.320 0.001 0.000 0.330 226 A C -1.122 176.340 177.584 -0.202 0.000 1.133 226 A CA -0.858 51.118 52.037 -0.102 0.000 0.836 226 A CB 1.722 20.572 19.000 -0.251 0.000 1.190 226 A HN 0.823 nan 8.150 nan 0.000 0.492 227 Q N 0.676 120.279 119.800 -0.329 0.000 2.321 227 Q HA 0.595 4.935 4.340 0.001 0.000 0.270 227 Q C -2.092 173.703 176.000 -0.343 0.000 1.032 227 Q CA -0.352 55.370 55.803 -0.133 0.000 0.784 227 Q CB 1.103 29.993 28.738 0.254 0.000 1.264 227 Q HN 0.593 nan 8.270 nan 0.000 0.448 228 F N 2.202 122.248 119.950 0.161 0.000 2.480 228 F HA 0.440 4.968 4.527 0.001 0.000 0.329 228 F C 0.387 176.332 175.800 0.241 0.000 1.091 228 F CA -0.912 57.155 58.000 0.112 0.000 0.972 228 F CB 1.456 40.415 39.000 -0.069 0.000 1.150 228 F HN 0.424 nan 8.300 nan 0.000 0.467 229 N N 1.824 120.749 118.700 0.375 0.000 2.524 229 N HA 0.225 4.966 4.740 0.001 0.000 0.261 229 N C -0.985 174.697 175.510 0.288 0.000 0.998 229 N CA -0.343 52.890 53.050 0.305 0.000 0.915 229 N CB 0.988 39.603 38.487 0.212 0.000 1.187 229 N HN 0.542 nan 8.380 nan 0.000 0.507 230 D N 1.326 121.921 120.400 0.325 0.000 2.388 230 D HA 0.126 4.767 4.640 0.001 0.000 0.221 230 D C 1.237 177.658 176.300 0.202 0.000 1.133 230 D CA 0.125 54.288 54.000 0.272 0.000 0.831 230 D CB 0.552 41.564 40.800 0.353 0.000 0.962 230 D HN 0.458 nan 8.370 nan 0.000 0.502 231 T N 0.507 115.164 114.554 0.171 0.000 2.620 231 T HA -0.243 4.108 4.350 0.001 0.000 0.267 231 T C 1.312 176.073 174.700 0.101 0.000 1.044 231 T CA 1.413 63.586 62.100 0.121 0.000 1.161 231 T CB -0.099 68.829 68.868 0.100 0.000 0.862 231 T HN 0.330 nan 8.240 nan 0.000 0.438 232 E N 0.364 120.623 120.200 0.098 0.000 2.465 232 E HA 0.191 4.542 4.350 0.001 0.000 0.195 232 E C -0.491 176.159 176.600 0.084 0.000 1.028 232 E CA -0.275 56.172 56.400 0.079 0.000 0.899 232 E CB 0.509 30.248 29.700 0.065 0.000 1.032 232 E HN 0.211 nan 8.360 nan 0.000 0.468 233 V N 3.357 123.335 119.914 0.106 0.000 2.508 233 V HA 0.112 4.232 4.120 0.001 0.000 0.281 233 V C -1.996 174.155 176.094 0.095 0.000 1.041 233 V CA -1.597 60.768 62.300 0.108 0.000 1.016 233 V CB 0.501 32.407 31.823 0.138 0.000 0.984 233 V HN 0.047 nan 8.190 nan 0.000 0.478 234 P HA 0.257 nan 4.420 nan 0.000 0.270 234 P C -0.770 176.567 177.300 0.062 0.000 1.223 234 P CA -0.243 62.893 63.100 0.061 0.000 0.785 234 P CB 0.515 32.248 31.700 0.054 0.000 0.923 235 L N 2.187 123.425 121.223 0.025 0.000 2.295 235 L HA 0.435 4.776 4.340 0.001 0.000 0.285 235 L C 0.287 177.110 176.870 -0.078 0.000 1.035 235 L CA -0.988 53.850 54.840 -0.003 0.000 0.806 235 L CB 1.094 43.147 42.059 -0.011 0.000 1.214 235 L HN 0.294 nan 8.230 nan 0.000 0.426 236 I N 2.687 123.164 120.570 -0.156 0.000 2.472 236 I HA 0.249 4.420 4.170 0.001 0.000 0.290 236 I C -0.290 175.668 176.117 -0.265 0.000 1.016 236 I CA 0.140 61.246 61.300 -0.323 0.000 1.348 236 I CB 0.801 38.349 38.000 -0.753 0.000 1.417 236 I HN 0.580 nan 8.210 nan 0.000 0.521 237 E N 7.223 127.284 120.200 -0.231 0.000 2.248 237 E HA 0.543 4.894 4.350 0.001 0.000 0.267 237 E C -1.791 174.724 176.600 -0.141 0.000 0.877 237 E CA -0.598 55.663 56.400 -0.232 0.000 0.759 237 E CB 2.190 31.791 29.700 -0.164 0.000 1.182 237 E HN 0.576 nan 8.360 nan 0.000 0.418 238 Y N -1.994 118.219 120.300 -0.145 0.000 2.624 238 Y HA 0.520 5.071 4.550 0.001 0.000 0.334 238 Y C -0.795 175.036 175.900 -0.115 0.000 1.155 238 Y CA -1.258 56.763 58.100 -0.132 0.000 1.046 238 Y CB 0.816 39.203 38.460 -0.122 0.000 1.316 238 Y HN 0.233 nan 8.280 nan 0.000 0.457 239 S N 1.844 117.547 115.700 0.004 0.000 2.584 239 S HA 0.490 4.961 4.470 0.001 0.000 0.273 239 S C -1.373 173.093 174.600 -0.222 0.000 1.311 239 S CA -0.373 57.688 58.200 -0.231 0.000 1.034 239 S CB 0.573 63.477 63.200 -0.494 0.000 0.939 239 S HN 0.532 nan 8.310 nan 0.000 0.513 240 F N 1.878 121.583 119.950 -0.407 0.000 2.507 240 F HA 0.435 4.963 4.527 0.001 0.000 0.328 240 F C -0.223 175.339 175.800 -0.396 0.000 1.136 240 F CA -0.901 56.949 58.000 -0.250 0.000 0.930 240 F CB 0.873 39.846 39.000 -0.045 0.000 1.166 240 F HN 0.652 nan 8.300 nan 0.000 0.436 241 Y N 2.675 122.770 120.300 -0.343 0.000 2.397 241 Y HA 0.112 4.663 4.550 0.001 0.000 0.292 241 Y C 1.719 177.577 175.900 -0.070 0.000 1.115 241 Y CA 1.176 59.178 58.100 -0.163 0.000 1.208 241 Y CB -0.437 37.908 38.460 -0.191 0.000 1.046 241 Y HN 0.743 nan 8.280 nan 0.000 0.552 242 S N -0.325 115.347 115.700 -0.046 0.000 3.443 242 S HA -0.217 4.254 4.470 0.001 0.000 0.635 242 S C -0.654 174.020 174.600 0.124 0.000 2.555 242 S CA 0.218 58.536 58.200 0.196 0.000 2.778 242 S CB -1.161 62.227 63.200 0.313 0.000 0.331 242 S HN 0.446 nan 8.310 nan 0.000 1.765 243 D N 1.616 122.097 120.400 0.136 0.000 2.382 243 D HA 0.154 4.795 4.640 0.001 0.000 0.240 243 D C 1.379 177.721 176.300 0.071 0.000 1.146 243 D CA 0.355 54.409 54.000 0.090 0.000 0.897 243 D CB 0.289 41.139 40.800 0.084 0.000 1.197 243 D HN 0.628 nan 8.370 nan 0.000 0.432 244 E N 0.692 120.920 120.200 0.047 0.000 2.187 244 E HA -0.261 4.090 4.350 0.001 0.000 0.199 244 E C 1.511 178.129 176.600 0.030 0.000 1.004 244 E CA 1.460 57.878 56.400 0.029 0.000 0.813 244 E CB 0.147 29.856 29.700 0.016 0.000 0.736 244 E HN 0.452 nan 8.360 nan 0.000 0.468 245 S N 0.055 115.778 115.700 0.039 0.000 2.474 245 S HA -0.125 4.345 4.470 0.001 0.000 0.235 245 S C 0.897 175.524 174.600 0.046 0.000 0.997 245 S CA -0.018 58.204 58.200 0.037 0.000 0.949 245 S CB -0.141 63.082 63.200 0.039 0.000 0.766 245 S HN 0.230 nan 8.310 nan 0.000 0.517 246 L N 2.613 123.874 121.223 0.063 0.000 2.385 246 L HA 0.306 4.647 4.340 0.001 0.000 0.281 246 L C 1.402 178.309 176.870 0.063 0.000 1.106 246 L CA 0.088 54.976 54.840 0.080 0.000 0.856 246 L CB 0.530 42.654 42.059 0.108 0.000 1.186 246 L HN 0.290 nan 8.230 nan 0.000 0.453 247 Q N 3.977 123.813 119.800 0.059 0.000 2.079 247 Q HA -0.114 4.227 4.340 0.001 0.000 0.200 247 Q C -0.499 175.421 176.000 -0.133 0.000 0.974 247 Q CA 1.440 57.222 55.803 -0.034 0.000 0.840 247 Q CB 0.103 28.834 28.738 -0.012 0.000 0.898 247 Q HN 0.680 nan 8.270 nan 0.000 0.430 248 Y N 0.612 120.929 120.300 0.028 0.000 2.335 248 Y HA 0.383 4.934 4.550 0.001 0.000 0.338 248 Y C -2.050 173.862 175.900 0.020 0.000 0.977 248 Y CA -2.926 55.187 58.100 0.021 0.000 1.114 248 Y CB 1.408 39.871 38.460 0.005 0.000 1.182 248 Y HN 0.157 nan 8.280 nan 0.000 0.463 249 P HA 0.052 nan 4.420 nan 0.000 0.269 249 P C -1.058 176.251 177.300 0.016 0.000 1.215 249 P CA -0.494 62.623 63.100 0.028 0.000 0.780 249 P CB 0.545 32.194 31.700 -0.086 0.000 0.898 250 K N -0.161 120.236 120.400 -0.005 0.000 2.098 250 K HA 0.595 4.916 4.320 0.001 0.000 0.258 250 K C -0.754 175.807 176.600 -0.066 0.000 0.973 250 K CA -0.668 55.615 56.287 -0.007 0.000 0.898 250 K CB 0.634 33.150 32.500 0.028 0.000 1.057 250 K HN 0.155 nan 8.250 nan 0.000 0.447 251 T N 1.988 116.488 114.554 -0.091 0.000 2.743 251 T HA 0.244 4.594 4.350 0.001 0.000 0.292 251 T C -0.487 174.093 174.700 -0.200 0.000 0.972 251 T CA -0.721 61.291 62.100 -0.148 0.000 0.967 251 T CB 0.971 69.763 68.868 -0.125 0.000 0.926 251 T HN 0.376 nan 8.240 nan 0.000 0.459 252 V N 6.038 125.742 119.914 -0.350 0.000 2.509 252 V HA 0.577 4.698 4.120 0.001 0.000 0.284 252 V C 0.319 176.139 176.094 -0.457 0.000 1.047 252 V CA -0.714 61.330 62.300 -0.426 0.000 0.952 252 V CB 0.899 32.310 31.823 -0.686 0.000 0.988 252 V HN 0.790 nan 8.190 nan 0.000 0.469 253 R N 3.912 124.269 120.500 -0.238 0.000 2.538 253 R HA 0.793 5.134 4.340 0.001 0.000 0.292 253 R C -1.748 174.534 176.300 -0.030 0.000 1.008 253 R CA -0.600 55.400 56.100 -0.167 0.000 0.896 253 R CB 1.710 31.944 30.300 -0.111 0.000 1.187 253 R HN 0.519 nan 8.270 nan 0.000 0.440 254 V N 1.586 121.487 119.914 -0.021 0.000 2.760 254 V HA 0.546 4.667 4.120 0.001 0.000 0.309 254 V C -2.803 173.345 176.094 0.089 0.000 1.077 254 V CA -2.407 59.959 62.300 0.108 0.000 0.910 254 V CB 2.679 34.599 31.823 0.163 0.000 1.008 254 V HN 0.624 nan 8.190 nan 0.000 0.424 255 P HA 0.214 nan 4.420 nan 0.000 0.265 255 P C -1.771 175.638 177.300 0.181 0.000 1.222 255 P CA 0.626 63.835 63.100 0.181 0.000 0.767 255 P CB -0.338 31.515 31.700 0.254 0.000 0.801 256 Y N 6.644 126.920 120.300 -0.041 0.000 2.301 256 Y HA 0.371 4.922 4.550 0.001 0.000 0.325 256 Y C -2.723 173.145 175.900 -0.053 0.000 1.103 256 Y CA -2.923 55.101 58.100 -0.126 0.000 1.182 256 Y CB 1.746 40.003 38.460 -0.338 0.000 1.139 256 Y HN 0.282 nan 8.280 nan 0.000 0.443 257 P HA 0.237 nan 4.420 nan 0.000 0.286 257 P C -0.922 176.418 177.300 0.067 0.000 1.321 257 P CA -0.160 62.973 63.100 0.055 0.000 0.790 257 P CB 1.268 32.986 31.700 0.030 0.000 0.897 258 K N 2.087 122.611 120.400 0.206 0.000 2.102 258 K HA 0.492 4.812 4.320 0.001 0.000 0.244 258 K C 0.574 177.271 176.600 0.161 0.000 1.021 258 K CA -0.718 55.712 56.287 0.239 0.000 0.913 258 K CB 0.557 33.215 32.500 0.263 0.000 1.062 258 K HN 0.441 nan 8.250 nan 0.000 0.485 259 A N 0.861 123.801 122.820 0.201 0.000 2.573 259 A HA 0.269 4.590 4.320 0.001 0.000 0.250 259 A C 1.206 178.829 177.584 0.065 0.000 1.049 259 A CA 1.086 53.229 52.037 0.177 0.000 0.767 259 A CB -1.252 17.943 19.000 0.326 0.000 0.965 259 A HN 0.905 nan 8.150 nan 0.000 0.514 260 G N 1.086 109.914 108.800 0.046 0.000 2.241 260 G HA2 0.107 4.068 3.960 0.001 0.000 0.244 260 G HA3 0.107 4.068 3.960 0.001 0.000 0.244 260 G C 0.748 175.660 174.900 0.020 0.000 0.998 260 G CA 0.685 45.785 45.100 0.000 0.000 0.621 260 G HN 2.191 nan 8.290 nan 0.000 0.519 261 A N -0.102 122.746 122.820 0.047 0.000 2.292 261 A HA 0.694 5.015 4.320 0.001 0.000 0.265 261 A C 0.909 178.523 177.584 0.049 0.000 1.133 261 A CA 0.454 52.521 52.037 0.051 0.000 0.807 261 A CB 0.465 19.510 19.000 0.074 0.000 1.102 261 A HN 1.183 nan 8.150 nan 0.000 0.502 262 V N 2.325 122.270 119.914 0.051 0.000 2.521 262 V HA 0.045 4.165 4.120 0.001 0.000 0.286 262 V C 0.355 176.491 176.094 0.069 0.000 1.034 262 V CA -0.132 62.199 62.300 0.051 0.000 1.045 262 V CB -0.019 31.836 31.823 0.052 0.000 0.974 262 V HN 0.795 nan 8.190 nan 0.000 0.480 263 N N 6.159 124.898 118.700 0.066 0.000 2.476 263 N HA 0.489 5.230 4.740 0.001 0.000 0.275 263 N C -2.358 173.230 175.510 0.130 0.000 1.190 263 N CA -1.464 51.646 53.050 0.100 0.000 0.977 263 N CB 1.256 39.797 38.487 0.090 0.000 1.200 263 N HN 0.401 nan 8.380 nan 0.000 0.515 264 P HA 0.132 nan 4.420 nan 0.000 0.274 264 P C -0.496 176.955 177.300 0.252 0.000 1.237 264 P CA -0.198 63.048 63.100 0.243 0.000 0.793 264 P CB 0.499 32.380 31.700 0.302 0.000 0.977 265 T N -1.848 112.838 114.554 0.221 0.000 2.944 265 T HA 0.601 4.952 4.350 0.001 0.000 0.284 265 T C -0.283 174.557 174.700 0.233 0.000 1.010 265 T CA -0.829 61.367 62.100 0.160 0.000 1.025 265 T CB 1.456 70.386 68.868 0.103 0.000 1.079 265 T HN 0.354 nan 8.240 nan 0.000 0.516 266 V N 0.340 120.367 119.914 0.188 0.000 2.971 266 V HA 0.758 4.879 4.120 0.001 0.000 0.309 266 V C -1.617 174.562 176.094 0.141 0.000 1.130 266 V CA -0.849 61.533 62.300 0.136 0.000 0.964 266 V CB 2.120 34.061 31.823 0.198 0.000 1.029 266 V HN 1.071 nan 8.190 nan 0.000 0.427 267 K N 4.257 124.665 120.400 0.013 0.000 2.477 267 K HA 0.587 4.907 4.320 0.001 0.000 0.255 267 K C -1.976 174.511 176.600 -0.188 0.000 0.952 267 K CA -0.525 55.723 56.287 -0.065 0.000 0.826 267 K CB 2.827 35.245 32.500 -0.137 0.000 1.331 267 K HN 0.546 nan 8.250 nan 0.000 0.437 268 F N 2.032 121.652 119.950 -0.549 0.000 2.520 268 F HA 0.572 5.100 4.527 0.001 0.000 0.322 268 F C -1.471 173.773 175.800 -0.928 0.000 1.103 268 F CA -0.739 56.920 58.000 -0.568 0.000 0.926 268 F CB 0.869 39.672 39.000 -0.328 0.000 1.154 268 F HN 0.386 nan 8.300 nan 0.000 0.453 269 F N 3.948 123.154 119.950 -1.241 0.000 2.588 269 F HA 0.762 5.290 4.527 0.001 0.000 0.314 269 F C -0.973 174.146 175.800 -1.135 0.000 1.069 269 F CA -1.184 56.164 58.000 -1.086 0.000 0.931 269 F CB 2.162 40.385 39.000 -1.294 0.000 1.260 269 F HN 0.117 nan 8.300 nan 0.000 0.465 270 V N 2.558 122.228 119.914 -0.406 0.000 2.638 270 V HA 0.660 4.780 4.120 0.001 0.000 0.306 270 V C -1.211 174.943 176.094 0.100 0.000 1.052 270 V CA -0.826 61.315 62.300 -0.265 0.000 0.885 270 V CB 2.039 33.486 31.823 -0.627 0.000 0.999 270 V HN 0.602 nan 8.190 nan 0.000 0.424 271 V N 4.086 124.143 119.914 0.238 0.000 2.735 271 V HA 0.595 4.715 4.120 0.001 0.000 0.310 271 V C -0.617 175.713 176.094 0.392 0.000 1.061 271 V CA -0.615 61.862 62.300 0.296 0.000 0.913 271 V CB 2.253 34.200 31.823 0.208 0.000 1.005 271 V HN 0.930 nan 8.190 nan 0.000 0.428 272 N N 3.174 122.087 118.700 0.355 0.000 2.408 272 N HA 0.162 4.902 4.740 0.001 0.000 0.257 272 N C 0.953 176.487 175.510 0.040 0.000 1.064 272 N CA 0.567 53.738 53.050 0.201 0.000 0.952 272 N CB 1.829 40.397 38.487 0.135 0.000 1.093 272 N HN 0.920 nan 8.380 nan 0.000 0.490 273 T N -0.331 114.230 114.554 0.011 0.000 3.100 273 T HA 0.061 4.412 4.350 0.001 0.000 0.253 273 T C 0.647 175.303 174.700 -0.074 0.000 1.118 273 T CA 0.451 62.550 62.100 -0.001 0.000 1.058 273 T CB 0.177 69.150 68.868 0.175 0.000 0.953 273 T HN 0.241 nan 8.240 nan 0.000 0.515 274 D N 2.089 122.422 120.400 -0.112 0.000 2.347 274 D HA 0.060 4.701 4.640 0.001 0.000 0.213 274 D C 1.166 177.406 176.300 -0.101 0.000 0.985 274 D CA 0.654 54.585 54.000 -0.115 0.000 0.879 274 D CB 0.160 40.867 40.800 -0.154 0.000 0.919 274 D HN 0.634 nan 8.370 nan 0.000 0.526 275 S N -0.190 115.451 115.700 -0.098 0.000 2.592 275 S HA 0.332 4.803 4.470 0.001 0.000 0.243 275 S C 0.199 174.735 174.600 -0.106 0.000 1.160 275 S CA -0.642 57.516 58.200 -0.070 0.000 1.145 275 S CB -0.229 62.961 63.200 -0.016 0.000 0.909 275 S HN -0.036 nan 8.310 nan 0.000 0.487 276 L N 1.732 122.809 121.223 -0.243 0.000 2.375 276 L HA 0.666 5.007 4.340 0.001 0.000 0.271 276 L C 0.442 177.149 176.870 -0.273 0.000 1.107 276 L CA -0.393 54.206 54.840 -0.401 0.000 0.806 276 L CB 1.549 43.015 42.059 -0.988 0.000 1.146 276 L HN 0.394 nan 8.230 nan 0.000 0.447 277 S N -0.571 115.097 115.700 -0.053 0.000 2.521 277 S HA 0.298 4.769 4.470 0.001 0.000 0.295 277 S C 0.564 175.372 174.600 0.346 0.000 1.098 277 S CA -0.483 57.810 58.200 0.154 0.000 0.999 277 S CB 1.725 64.982 63.200 0.096 0.000 1.034 277 S HN 0.651 nan 8.310 nan 0.000 0.483 278 S N 3.051 118.967 115.700 0.361 0.000 2.603 278 S HA 0.054 4.525 4.470 0.001 0.000 0.220 278 S C 1.101 175.792 174.600 0.151 0.000 0.967 278 S CA 0.323 58.666 58.200 0.239 0.000 0.920 278 S CB -0.055 63.211 63.200 0.109 0.000 0.773 278 S HN 0.541 nan 8.310 nan 0.000 0.529 279 V N 0.689 120.684 119.914 0.134 0.000 3.431 279 V HA 0.196 4.317 4.120 0.001 0.000 0.253 279 V C 0.663 176.805 176.094 0.079 0.000 1.184 279 V CA 0.758 63.111 62.300 0.089 0.000 1.104 279 V CB 0.183 32.047 31.823 0.068 0.000 0.799 279 V HN 0.448 nan 8.190 nan 0.000 0.462 280 T N 0.770 115.381 114.554 0.096 0.000 2.887 280 T HA 0.386 4.737 4.350 0.001 0.000 0.288 280 T C -0.386 174.377 174.700 0.105 0.000 1.021 280 T CA -0.490 61.653 62.100 0.072 0.000 1.000 280 T CB 1.460 70.360 68.868 0.054 0.000 1.034 280 T HN 0.052 nan 8.240 nan 0.000 0.467 281 N N 2.104 120.851 118.700 0.078 0.000 2.475 281 N HA 0.365 5.106 4.740 0.001 0.000 0.267 281 N C 0.263 175.841 175.510 0.113 0.000 1.169 281 N CA -0.149 52.981 53.050 0.134 0.000 0.947 281 N CB 0.885 39.396 38.487 0.041 0.000 1.061 281 N HN 0.855 nan 8.380 nan 0.000 0.466 282 A N 2.413 125.312 122.820 0.133 0.000 2.586 282 A HA 0.089 4.410 4.320 0.001 0.000 0.231 282 A C 0.311 177.941 177.584 0.078 0.000 1.055 282 A CA 0.384 52.467 52.037 0.077 0.000 0.756 282 A CB -0.050 18.975 19.000 0.042 0.000 0.988 282 A HN 0.558 nan 8.150 nan 0.000 0.509 283 T N 2.638 117.241 114.554 0.081 0.000 2.749 283 T HA 0.457 4.808 4.350 0.001 0.000 0.287 283 T C 0.032 174.808 174.700 0.126 0.000 0.970 283 T CA -0.112 62.045 62.100 0.094 0.000 0.980 283 T CB 0.907 69.836 68.868 0.102 0.000 0.924 283 T HN 0.563 nan 8.240 nan 0.000 0.456 284 S N 3.454 119.220 115.700 0.110 0.000 2.462 284 S HA 0.490 4.961 4.470 0.001 0.000 0.294 284 S C 0.047 174.775 174.600 0.214 0.000 1.144 284 S CA -0.812 57.475 58.200 0.146 0.000 1.088 284 S CB 0.423 63.646 63.200 0.038 0.000 1.009 284 S HN 0.480 nan 8.310 nan 0.000 0.484 285 I N 3.252 123.972 120.570 0.251 0.000 2.315 285 I HA 0.283 4.454 4.170 0.001 0.000 0.291 285 I C 0.509 176.749 176.117 0.205 0.000 1.006 285 I CA -0.294 61.168 61.300 0.270 0.000 1.265 285 I CB 0.987 39.224 38.000 0.395 0.000 1.387 285 I HN 0.667 nan 8.210 nan 0.000 0.475 286 Q N 6.155 126.067 119.800 0.187 0.000 2.259 286 Q HA 0.499 4.839 4.340 0.001 0.000 0.249 286 Q C -1.108 174.851 176.000 -0.068 0.000 0.914 286 Q CA -0.380 55.369 55.803 -0.090 0.000 0.904 286 Q CB 1.398 30.057 28.738 -0.133 0.000 1.213 286 Q HN 0.568 nan 8.270 nan 0.000 0.428 287 I N 4.009 124.510 120.570 -0.115 0.000 2.382 287 I HA 0.215 4.386 4.170 0.001 0.000 0.285 287 I C 0.107 176.223 176.117 -0.002 0.000 1.007 287 I CA -0.682 60.623 61.300 0.008 0.000 1.142 287 I CB 1.655 39.705 38.000 0.083 0.000 1.289 287 I HN 0.700 nan 8.210 nan 0.000 0.453 288 T N 2.963 117.481 114.554 -0.060 0.000 2.913 288 T HA 0.680 5.030 4.350 0.001 0.000 0.287 288 T C 0.258 174.782 174.700 -0.294 0.000 1.008 288 T CA -0.787 61.220 62.100 -0.156 0.000 1.067 288 T CB 1.747 70.522 68.868 -0.154 0.000 0.996 288 T HN 0.572 nan 8.240 nan 0.000 0.513 289 A N 3.313 125.719 122.820 -0.690 0.000 2.351 289 A HA 0.623 4.944 4.320 0.001 0.000 0.257 289 A C -1.891 175.223 177.584 -0.784 0.000 1.087 289 A CA -1.760 49.465 52.037 -1.353 0.000 0.798 289 A CB -0.521 17.007 19.000 -2.453 0.000 1.033 289 A HN 0.821 nan 8.150 nan 0.000 0.488 290 P HA 0.084 nan 4.420 nan 0.000 0.269 290 P C 0.701 177.788 177.300 -0.354 0.000 1.217 290 P CA 0.613 63.493 63.100 -0.368 0.000 0.783 290 P CB 0.764 32.320 31.700 -0.239 0.000 0.898 291 A N 2.560 125.241 122.820 -0.232 0.000 1.978 291 A HA -0.178 4.143 4.320 0.001 0.000 0.220 291 A C 2.179 179.649 177.584 -0.190 0.000 1.170 291 A CA 2.147 54.065 52.037 -0.198 0.000 0.636 291 A CB -1.667 17.253 19.000 -0.134 0.000 0.810 291 A HN 0.678 nan 8.150 nan 0.000 0.448 292 S N -2.134 113.471 115.700 -0.159 0.000 2.507 292 S HA -0.046 4.425 4.470 0.001 0.000 0.235 292 S C 1.541 176.037 174.600 -0.173 0.000 0.988 292 S CA 1.599 59.717 58.200 -0.137 0.000 0.944 292 S CB -0.176 63.004 63.200 -0.033 0.000 0.762 292 S HN 0.348 nan 8.310 nan 0.000 0.526 293 M N 0.935 120.375 119.600 -0.267 0.000 2.800 293 M HA 0.493 4.974 4.480 0.001 0.000 0.257 293 M C 1.591 177.588 176.300 -0.505 0.000 1.309 293 M CA 0.762 55.830 55.300 -0.387 0.000 1.202 293 M CB -0.538 31.700 32.600 -0.604 0.000 1.273 293 M HN 0.231 nan 8.290 nan 0.000 0.528 294 L N 0.645 121.576 121.223 -0.485 0.000 2.353 294 L HA -0.126 4.215 4.340 0.001 0.000 0.220 294 L C 2.059 178.845 176.870 -0.141 0.000 1.133 294 L CA 0.719 55.367 54.840 -0.319 0.000 0.798 294 L CB -1.065 40.832 42.059 -0.269 0.000 0.922 294 L HN 0.386 nan 8.230 nan 0.000 0.445 295 I N -2.454 118.033 120.570 -0.139 0.000 2.567 295 I HA 0.060 4.231 4.170 0.001 0.000 0.257 295 I C 1.089 177.177 176.117 -0.049 0.000 1.184 295 I CA 0.869 62.115 61.300 -0.089 0.000 1.451 295 I CB -0.471 37.467 38.000 -0.103 0.000 1.089 295 I HN 0.104 nan 8.210 nan 0.000 0.441 296 G N -0.009 108.781 108.800 -0.017 0.000 2.682 296 G HA2 0.285 4.245 3.960 0.001 0.000 0.303 296 G HA3 0.285 4.245 3.960 0.001 0.000 0.303 296 G C -1.774 173.184 174.900 0.095 0.000 1.341 296 G CA -0.596 44.513 45.100 0.015 0.000 0.784 296 G HN 0.034 nan 8.290 nan 0.000 0.497 297 D N 1.178 121.583 120.400 0.007 0.000 2.472 297 D HA 0.393 5.034 4.640 0.001 0.000 0.237 297 D C 0.434 176.678 176.300 -0.092 0.000 1.141 297 D CA 0.862 54.807 54.000 -0.092 0.000 0.875 297 D CB 0.393 41.101 40.800 -0.152 0.000 1.192 297 D HN 0.563 nan 8.370 nan 0.000 0.450 298 H N -1.081 117.839 119.070 -0.250 0.000 2.918 298 H HA 0.437 4.994 4.556 0.001 0.000 0.303 298 H C -1.395 173.780 175.328 -0.256 0.000 1.380 298 H CA -0.799 55.105 56.048 -0.241 0.000 1.134 298 H CB 0.326 30.085 29.762 -0.004 0.000 1.842 298 H HN 0.325 nan 8.280 nan 0.000 0.533 299 Y N -0.140 120.388 120.300 0.380 0.000 2.581 299 Y HA 0.442 4.993 4.550 0.001 0.000 0.345 299 Y C -0.519 175.665 175.900 0.474 0.000 1.036 299 Y CA -1.158 57.177 58.100 0.392 0.000 1.042 299 Y CB 1.924 40.467 38.460 0.138 0.000 1.289 299 Y HN 0.502 nan 8.280 nan 0.000 0.471 300 L N 2.534 124.101 121.223 0.573 0.000 2.264 300 L HA 0.476 4.817 4.340 0.001 0.000 0.289 300 L C 0.306 177.249 176.870 0.121 0.000 1.044 300 L CA -0.303 54.525 54.840 -0.021 0.000 0.807 300 L CB 0.648 42.602 42.059 -0.175 0.000 1.192 300 L HN 0.985 nan 8.230 nan 0.000 0.425 301 C N 1.156 120.385 119.300 -0.118 0.000 3.403 301 C HA 0.518 4.979 4.460 0.001 0.000 0.317 301 C C 0.179 175.014 174.990 -0.258 0.000 1.346 301 C CA -0.361 58.522 59.018 -0.225 0.000 1.743 301 C CB -0.591 27.066 27.740 -0.138 0.000 2.308 301 C HN 0.848 nan 8.230 nan 0.000 0.675 302 D N 0.187 120.459 120.400 -0.212 0.000 2.803 302 D HA 0.464 5.105 4.640 0.001 0.000 0.218 302 D C -1.883 174.158 176.300 -0.433 0.000 1.245 302 D CA 0.104 54.000 54.000 -0.173 0.000 0.821 302 D CB 2.828 43.524 40.800 -0.174 0.000 1.626 302 D HN 0.048 nan 8.370 nan 0.000 0.487 303 V N 2.285 121.879 119.914 -0.533 0.000 2.569 303 V HA 0.556 4.677 4.120 0.001 0.000 0.301 303 V C -0.543 175.185 176.094 -0.611 0.000 1.044 303 V CA -0.383 61.368 62.300 -0.914 0.000 0.874 303 V CB 1.997 32.744 31.823 -1.794 0.000 1.002 303 V HN 0.656 nan 8.190 nan 0.000 0.424 304 T N 3.482 117.759 114.554 -0.462 0.000 3.143 304 T HA 0.336 4.686 4.350 0.001 0.000 0.312 304 T C -0.913 173.669 174.700 -0.196 0.000 0.986 304 T CA -0.484 61.505 62.100 -0.184 0.000 1.024 304 T CB 0.796 69.626 68.868 -0.064 0.000 1.030 304 T HN 0.512 nan 8.240 nan 0.000 0.448 305 W N 2.094 123.354 121.300 -0.066 0.000 2.216 305 W HA 0.475 5.136 4.660 0.001 0.000 0.326 305 W C 1.164 177.573 176.519 -0.184 0.000 1.319 305 W CA -0.227 57.067 57.345 -0.086 0.000 1.213 305 W CB 0.569 30.058 29.460 0.048 0.000 1.171 305 W HN 0.846 nan 8.180 nan 0.000 0.557 306 A N 1.905 124.603 122.820 -0.203 0.000 1.920 306 A HA 0.207 4.528 4.320 0.001 0.000 0.209 306 A C 0.873 178.416 177.584 -0.068 0.000 1.229 306 A CA 1.511 53.193 52.037 -0.592 0.000 0.671 306 A CB -0.345 17.757 19.000 -1.497 0.000 0.886 306 A HN 0.536 nan 8.150 nan 0.000 0.461 307 T N -5.557 109.060 114.554 0.105 0.000 2.647 307 T HA 0.337 4.688 4.350 0.001 0.000 0.295 307 T C 0.075 174.955 174.700 0.300 0.000 1.126 307 T CA -0.382 61.828 62.100 0.184 0.000 1.040 307 T CB 0.676 69.633 68.868 0.150 0.000 1.472 307 T HN -0.045 nan 8.240 nan 0.000 0.500 308 Q N 0.240 120.179 119.800 0.231 0.000 2.364 308 Q HA 0.043 4.384 4.340 0.001 0.000 0.209 308 Q C 0.780 177.048 176.000 0.448 0.000 0.977 308 Q CA 1.386 57.331 55.803 0.236 0.000 0.885 308 Q CB -0.074 28.756 28.738 0.153 0.000 0.941 308 Q HN 0.819 nan 8.270 nan 0.000 0.464 309 E N -0.308 120.165 120.200 0.456 0.000 2.810 309 E HA 0.185 4.536 4.350 0.001 0.000 0.214 309 E C -0.239 176.669 176.600 0.514 0.000 0.980 309 E CA -0.160 56.545 56.400 0.509 0.000 1.159 309 E CB 1.076 30.968 29.700 0.319 0.000 1.047 309 E HN -0.044 nan 8.360 nan 0.000 0.484 310 R N 1.674 122.470 120.500 0.493 0.000 2.502 310 R HA 0.522 4.863 4.340 0.001 0.000 0.300 310 R C -1.694 174.623 176.300 0.028 0.000 0.984 310 R CA -0.444 55.810 56.100 0.257 0.000 0.882 310 R CB 1.295 31.632 30.300 0.061 0.000 1.180 310 R HN 0.062 nan 8.270 nan 0.000 0.444 311 I N 3.235 123.660 120.570 -0.243 0.000 2.509 311 I HA 0.425 4.596 4.170 0.001 0.000 0.293 311 I C -0.830 174.973 176.117 -0.523 0.000 1.020 311 I CA -0.473 60.402 61.300 -0.708 0.000 1.088 311 I CB 2.147 39.305 38.000 -1.402 0.000 1.267 311 I HN 0.837 nan 8.210 nan 0.000 0.430 312 S N 7.366 122.752 115.700 -0.524 0.000 2.537 312 S HA 0.813 5.284 4.470 0.001 0.000 0.301 312 S C -1.099 173.197 174.600 -0.507 0.000 1.092 312 S CA -0.656 57.320 58.200 -0.374 0.000 1.048 312 S CB 1.904 65.002 63.200 -0.170 0.000 1.053 312 S HN 0.446 nan 8.310 nan 0.000 0.501 313 L N 1.780 122.721 121.223 -0.471 0.000 2.431 313 L HA 0.535 4.875 4.340 0.001 0.000 0.266 313 L C -0.525 176.055 176.870 -0.485 0.000 0.978 313 L CA -0.184 54.263 54.840 -0.655 0.000 0.822 313 L CB 2.178 43.743 42.059 -0.824 0.000 1.310 313 L HN 0.858 nan 8.230 nan 0.000 0.409 314 Q N 1.669 121.146 119.800 -0.538 0.000 2.337 314 Q HA 0.540 4.881 4.340 0.001 0.000 0.266 314 Q C -1.652 174.114 176.000 -0.390 0.000 1.023 314 Q CA -0.499 55.115 55.803 -0.315 0.000 0.829 314 Q CB 2.304 30.915 28.738 -0.212 0.000 1.306 314 Q HN 0.487 nan 8.270 nan 0.000 0.449 315 W N 2.156 123.420 121.300 -0.060 0.000 2.706 315 W HA 0.644 5.305 4.660 0.001 0.000 0.346 315 W C -0.958 175.606 176.519 0.075 0.000 1.071 315 W CA -0.664 56.695 57.345 0.022 0.000 1.206 315 W CB 1.157 30.610 29.460 -0.011 0.000 1.413 315 W HN 0.383 nan 8.180 nan 0.000 0.542 316 L N 2.530 123.998 121.223 0.408 0.000 2.410 316 L HA 0.566 4.907 4.340 0.001 0.000 0.270 316 L C -0.179 176.891 176.870 0.334 0.000 0.983 316 L CA -1.096 53.941 54.840 0.330 0.000 0.822 316 L CB 1.365 43.602 42.059 0.298 0.000 1.285 316 L HN 0.400 nan 8.230 nan 0.000 0.409 317 R N 2.550 123.208 120.500 0.262 0.000 2.641 317 R HA 0.235 4.576 4.340 0.001 0.000 0.269 317 R C 0.943 177.301 176.300 0.096 0.000 1.074 317 R CA -0.260 55.933 56.100 0.156 0.000 1.133 317 R CB 0.594 30.967 30.300 0.121 0.000 1.029 317 R HN 0.655 nan 8.270 nan 0.000 0.488 318 R N 1.188 121.654 120.500 -0.057 0.000 2.127 318 R HA -0.070 4.271 4.340 0.001 0.000 0.238 318 R C 0.412 176.760 176.300 0.079 0.000 1.134 318 R CA 1.130 57.182 56.100 -0.081 0.000 0.975 318 R CB 0.184 30.394 30.300 -0.150 0.000 0.865 318 R HN 0.379 nan 8.270 nan 0.000 0.447 319 I N 2.845 123.450 120.570 0.058 0.000 2.278 319 I HA 0.012 4.183 4.170 0.001 0.000 0.296 319 I C 0.204 176.383 176.117 0.103 0.000 1.121 319 I CA 0.341 61.680 61.300 0.064 0.000 1.267 319 I CB 0.918 38.942 38.000 0.040 0.000 1.447 319 I HN 0.260 nan 8.210 nan 0.000 0.509 320 Q N 4.425 124.289 119.800 0.107 0.000 2.294 320 Q HA -0.071 4.270 4.340 0.001 0.000 0.207 320 Q C 0.470 176.559 176.000 0.148 0.000 0.887 320 Q CA 0.145 56.028 55.803 0.133 0.000 0.987 320 Q CB -0.382 28.399 28.738 0.072 0.000 1.101 320 Q HN 0.619 nan 8.270 nan 0.000 0.447 321 N N -0.889 117.899 118.700 0.146 0.000 2.235 321 N HA -0.012 4.729 4.740 0.001 0.000 0.231 321 N C -1.167 174.451 175.510 0.181 0.000 1.177 321 N CA -0.271 52.854 53.050 0.125 0.000 0.874 321 N CB 0.319 38.853 38.487 0.079 0.000 1.097 321 N HN 0.169 nan 8.380 nan 0.000 0.518 322 Y N 1.165 121.497 120.300 0.053 0.000 2.330 322 Y HA 0.534 5.084 4.550 0.001 0.000 0.324 322 Y C -1.151 174.790 175.900 0.069 0.000 1.093 322 Y CA -0.966 57.163 58.100 0.048 0.000 1.103 322 Y CB 1.348 39.827 38.460 0.032 0.000 1.183 322 Y HN 0.173 nan 8.280 nan 0.000 0.433 323 S N 3.988 119.626 115.700 -0.103 0.000 2.599 323 S HA 0.947 5.418 4.470 0.001 0.000 0.287 323 S C -1.863 172.679 174.600 -0.097 0.000 1.105 323 S CA -0.763 57.447 58.200 0.016 0.000 0.899 323 S CB 2.076 65.294 63.200 0.031 0.000 1.100 323 S HN 0.437 nan 8.310 nan 0.000 0.482 324 V N 2.349 122.295 119.914 0.053 0.000 2.760 324 V HA 0.536 4.657 4.120 0.001 0.000 0.309 324 V C -0.645 175.500 176.094 0.085 0.000 1.077 324 V CA -0.635 61.693 62.300 0.046 0.000 0.910 324 V CB 1.907 33.791 31.823 0.103 0.000 1.008 324 V HN 1.031 nan 8.190 nan 0.000 0.424 325 M N 3.550 123.169 119.600 0.032 0.000 2.205 325 M HA 0.541 5.022 4.480 0.001 0.000 0.344 325 M C -1.407 174.918 176.300 0.040 0.000 1.085 325 M CA -0.305 54.992 55.300 -0.005 0.000 1.001 325 M CB 1.260 33.807 32.600 -0.088 0.000 1.626 325 M HN 0.631 nan 8.290 nan 0.000 0.442 326 D N 4.953 125.366 120.400 0.022 0.000 2.185 326 D HA 0.545 5.186 4.640 0.001 0.000 0.247 326 D C -1.019 175.261 176.300 -0.033 0.000 1.027 326 D CA -0.069 53.945 54.000 0.023 0.000 0.861 326 D CB 1.840 42.677 40.800 0.061 0.000 1.202 326 D HN 0.588 nan 8.370 nan 0.000 0.453 327 I N 2.411 122.986 120.570 0.007 0.000 2.411 327 I HA 0.285 4.456 4.170 0.001 0.000 0.284 327 I C -0.574 175.550 176.117 0.011 0.000 1.012 327 I CA -0.617 60.680 61.300 -0.005 0.000 1.119 327 I CB 1.273 39.328 38.000 0.092 0.000 1.261 327 I HN 0.157 nan 8.210 nan 0.000 0.448 328 c N 3.757 122.352 118.600 -0.009 0.000 2.382 328 c HA 0.578 5.149 4.570 0.001 0.000 0.327 328 c C -0.263 173.970 174.090 0.238 0.000 1.250 328 c CA -0.662 55.730 56.329 0.106 0.000 1.707 328 c CB 1.058 43.634 42.510 0.110 0.000 2.272 328 c HN 0.585 nan 8.230 nan 0.000 0.506 329 D N 0.135 120.668 120.400 0.222 0.000 2.350 329 D HA 0.329 4.970 4.640 0.001 0.000 0.245 329 D C -0.727 175.519 176.300 -0.090 0.000 1.036 329 D CA -0.250 53.836 54.000 0.143 0.000 0.848 329 D CB 0.878 41.706 40.800 0.047 0.000 1.307 329 D HN 0.570 nan 8.370 nan 0.000 0.469 330 Y N 1.673 121.597 120.300 -0.627 0.000 2.442 330 Y HA 0.163 4.714 4.550 0.001 0.000 0.330 330 Y C -0.041 175.552 175.900 -0.511 0.000 1.129 330 Y CA 0.018 57.404 58.100 -1.190 0.000 1.365 330 Y CB 0.675 38.306 38.460 -1.382 0.000 1.233 330 Y HN 0.189 nan 8.280 nan 0.000 0.529 331 D N 5.979 125.684 120.400 -1.158 0.000 2.428 331 D HA 0.042 4.683 4.640 0.001 0.000 0.221 331 D C 0.768 176.467 176.300 -1.001 0.000 1.123 331 D CA 0.008 53.551 54.000 -0.761 0.000 0.869 331 D CB 0.779 41.301 40.800 -0.463 0.000 1.032 331 D HN 0.938 nan 8.370 nan 0.000 0.506 332 E N 1.742 121.561 120.200 -0.634 0.000 2.209 332 E HA -0.201 4.150 4.350 0.001 0.000 0.196 332 E C 1.416 177.910 176.600 -0.178 0.000 0.993 332 E CA 1.238 57.464 56.400 -0.290 0.000 0.819 332 E CB 0.414 30.115 29.700 0.002 0.000 0.745 332 E HN 0.467 nan 8.360 nan 0.000 0.477 333 S N -0.886 114.704 115.700 -0.183 0.000 2.439 333 S HA -0.015 4.456 4.470 0.001 0.000 0.224 333 S C 2.030 176.562 174.600 -0.113 0.000 1.029 333 S CA 0.767 58.904 58.200 -0.105 0.000 0.946 333 S CB 0.351 63.503 63.200 -0.080 0.000 0.797 333 S HN 0.131 nan 8.310 nan 0.000 0.504 334 S N 0.705 116.293 115.700 -0.186 0.000 2.456 334 S HA 0.354 4.825 4.470 0.001 0.000 0.224 334 S C 1.665 176.180 174.600 -0.142 0.000 1.035 334 S CA 1.041 59.152 58.200 -0.148 0.000 0.940 334 S CB -0.737 62.364 63.200 -0.164 0.000 0.799 334 S HN 1.334 nan 8.310 nan 0.000 0.508 335 G N 1.368 109.997 108.800 -0.285 0.000 2.162 335 G HA2 -0.204 3.757 3.960 0.001 0.000 0.260 335 G HA3 -0.204 3.757 3.960 0.001 0.000 0.260 335 G C 0.192 175.057 174.900 -0.059 0.000 0.976 335 G CA 0.354 45.390 45.100 -0.106 0.000 0.655 335 G HN 0.496 nan 8.290 nan 0.000 0.533 336 R N -1.384 118.981 120.500 -0.225 0.000 2.700 336 R HA 0.649 4.990 4.340 0.001 0.000 0.253 336 R C -0.747 175.405 176.300 -0.246 0.000 1.091 336 R CA -0.734 55.321 56.100 -0.076 0.000 1.104 336 R CB 0.602 30.884 30.300 -0.030 0.000 1.202 336 R HN 0.179 nan 8.270 nan 0.000 0.532 337 W N 0.474 121.771 121.300 -0.005 0.000 2.471 337 W HA 0.377 5.038 4.660 0.001 0.000 0.318 337 W C -0.417 176.082 176.519 -0.033 0.000 1.034 337 W CA -0.398 56.941 57.345 -0.010 0.000 1.224 337 W CB 1.086 30.546 29.460 -0.000 0.000 1.335 337 W HN 0.406 nan 8.180 nan 0.000 0.452 338 N N 2.113 120.884 118.700 0.119 0.000 2.342 338 N HA 0.538 5.279 4.740 0.001 0.000 0.293 338 N C -1.488 174.066 175.510 0.074 0.000 1.026 338 N CA -0.622 52.467 53.050 0.064 0.000 0.857 338 N CB 1.259 39.745 38.487 -0.003 0.000 1.256 338 N HN 0.182 nan 8.380 nan 0.000 0.484 339 c N 2.886 121.516 118.600 0.049 0.000 2.250 339 c HA 0.372 4.943 4.570 0.001 0.000 0.319 339 c C 0.403 174.499 174.090 0.010 0.000 1.124 339 c CA -1.099 55.251 56.329 0.034 0.000 1.527 339 c CB -1.446 41.077 42.510 0.023 0.000 2.001 339 c HN 0.622 nan 8.230 nan 0.000 0.435 340 L N 2.176 123.407 121.223 0.012 0.000 2.540 340 L HA 0.022 4.362 4.340 0.001 0.000 0.276 340 L C 1.666 178.527 176.870 -0.015 0.000 1.212 340 L CA 0.310 55.148 54.840 -0.002 0.000 0.893 340 L CB 0.585 42.646 42.059 0.004 0.000 1.138 340 L HN 0.605 nan 8.230 nan 0.000 0.491 341 V N 4.181 124.079 119.914 -0.028 0.000 2.490 341 V HA -0.269 3.852 4.120 0.001 0.000 0.250 341 V C 2.256 178.316 176.094 -0.057 0.000 1.061 341 V CA 2.149 64.424 62.300 -0.042 0.000 1.064 341 V CB -0.059 31.739 31.823 -0.042 0.000 0.670 341 V HN 1.011 nan 8.190 nan 0.000 0.461 342 A N -0.297 122.497 122.820 -0.045 0.000 2.125 342 A HA -0.142 4.178 4.320 0.001 0.000 0.219 342 A C 2.148 179.686 177.584 -0.076 0.000 1.156 342 A CA 1.488 53.492 52.037 -0.054 0.000 0.671 342 A CB -0.448 18.536 19.000 -0.027 0.000 0.794 342 A HN 0.628 nan 8.150 nan 0.000 0.459 343 R N -0.800 119.669 120.500 -0.053 0.000 2.427 343 R HA 0.171 4.511 4.340 0.001 0.000 0.262 343 R C 0.151 176.388 176.300 -0.105 0.000 0.943 343 R CA -0.167 55.922 56.100 -0.018 0.000 1.081 343 R CB 0.221 30.572 30.300 0.084 0.000 1.166 343 R HN 0.564 nan 8.270 nan 0.000 0.534 344 Q N 0.434 120.119 119.800 -0.193 0.000 2.293 344 Q HA 0.124 4.464 4.340 0.001 0.000 0.251 344 Q C -1.008 174.755 176.000 -0.394 0.000 0.930 344 Q CA 0.094 55.798 55.803 -0.165 0.000 0.893 344 Q CB 0.895 29.578 28.738 -0.092 0.000 1.215 344 Q HN 0.232 nan 8.270 nan 0.000 0.425 345 H N 1.901 120.968 119.070 -0.005 0.000 2.727 345 H HA 0.387 4.943 4.556 0.001 0.000 0.330 345 H C -0.789 174.507 175.328 -0.053 0.000 0.986 345 H CA -0.414 55.629 56.048 -0.008 0.000 1.251 345 H CB 0.959 30.705 29.762 -0.026 0.000 1.493 345 H HN 0.461 nan 8.280 nan 0.000 0.515 346 I N 2.253 122.831 120.570 0.013 0.000 2.396 346 I HA 0.218 4.388 4.170 0.001 0.000 0.292 346 I C 0.104 176.162 176.117 -0.098 0.000 0.999 346 I CA -0.145 61.083 61.300 -0.120 0.000 1.310 346 I CB 1.319 39.215 38.000 -0.174 0.000 1.404 346 I HN 0.594 nan 8.210 nan 0.000 0.496 347 E N 8.191 128.278 120.200 -0.188 0.000 2.244 347 E HA 0.528 4.878 4.350 0.001 0.000 0.260 347 E C -1.183 175.310 176.600 -0.178 0.000 0.884 347 E CA -0.673 55.664 56.400 -0.105 0.000 0.777 347 E CB 1.365 31.041 29.700 -0.039 0.000 1.197 347 E HN 0.625 nan 8.360 nan 0.000 0.416 348 M N 1.256 120.783 119.600 -0.122 0.000 2.691 348 M HA 0.673 5.153 4.480 0.001 0.000 0.293 348 M C -1.045 175.245 176.300 -0.017 0.000 1.259 348 M CA -0.952 54.300 55.300 -0.079 0.000 0.827 348 M CB 2.285 34.849 32.600 -0.060 0.000 1.753 348 M HN 0.244 nan 8.290 nan 0.000 0.465 349 S N -0.667 115.033 115.700 0.001 0.000 2.536 349 S HA 0.583 5.054 4.470 0.001 0.000 0.287 349 S C 0.212 174.800 174.600 -0.020 0.000 1.101 349 S CA -0.019 58.167 58.200 -0.022 0.000 0.950 349 S CB 1.810 64.966 63.200 -0.073 0.000 1.056 349 S HN 0.906 nan 8.310 nan 0.000 0.481 350 T N -0.283 114.257 114.554 -0.023 0.000 3.014 350 T HA 0.069 4.420 4.350 0.001 0.000 0.250 350 T C 1.504 176.176 174.700 -0.046 0.000 1.060 350 T CA 0.889 62.977 62.100 -0.019 0.000 1.040 350 T CB -0.357 68.508 68.868 -0.005 0.000 0.971 350 T HN 0.675 nan 8.240 nan 0.000 0.497 351 T N -1.888 112.622 114.554 -0.073 0.000 3.014 351 T HA 0.605 4.956 4.350 0.001 0.000 0.250 351 T C 1.104 175.585 174.700 -0.364 0.000 1.060 351 T CA 0.388 62.431 62.100 -0.095 0.000 1.040 351 T CB 0.406 69.305 68.868 0.051 0.000 0.971 351 T HN 0.616 nan 8.240 nan 0.000 0.497 352 G N 0.312 108.724 108.800 -0.647 0.000 2.635 352 G HA2 0.480 4.441 3.960 0.001 0.000 0.194 352 G HA3 0.480 4.441 3.960 0.001 0.000 0.194 352 G C -1.564 173.050 174.900 -0.476 0.000 1.198 352 G CA -0.604 43.919 45.100 -0.962 0.000 0.972 352 G HN 0.477 nan 8.290 nan 0.000 0.520 353 W N -0.145 120.924 121.300 -0.384 0.000 2.116 353 W HA 0.730 5.390 4.660 0.001 0.000 0.374 353 W C -0.337 176.149 176.519 -0.055 0.000 1.445 353 W CA -1.207 56.034 57.345 -0.172 0.000 1.582 353 W CB 0.425 29.759 29.460 -0.210 0.000 1.263 353 W HN 0.261 nan 8.180 nan 0.000 0.683 354 V N 2.814 122.817 119.914 0.149 0.000 2.407 354 V HA 0.701 4.822 4.120 0.001 0.000 0.278 354 V C 0.752 176.925 176.094 0.131 0.000 1.037 354 V CA 0.231 62.570 62.300 0.065 0.000 0.900 354 V CB 0.007 31.868 31.823 0.063 0.000 0.983 354 V HN 1.289 nan 8.190 nan 0.000 0.459 355 G N 4.997 113.828 108.800 0.051 0.000 2.795 355 G HA2 -0.189 3.771 3.960 0.001 0.000 0.664 355 G HA3 -0.189 3.771 3.960 0.001 0.000 0.664 355 G C 0.345 175.329 174.900 0.140 0.000 1.381 355 G CA 0.201 45.355 45.100 0.090 0.000 0.853 355 G HN 0.654 nan 8.290 nan 0.000 0.545 356 R N -0.728 119.846 120.500 0.124 0.000 2.061 356 R HA 0.076 4.417 4.340 0.001 0.000 0.230 356 R C 1.925 178.206 176.300 -0.032 0.000 1.140 356 R CA 2.258 58.388 56.100 0.050 0.000 0.940 356 R CB -0.121 30.231 30.300 0.086 0.000 0.839 356 R HN 0.480 nan 8.270 nan 0.000 0.429 357 F N -0.968 119.124 119.950 0.236 0.000 2.831 357 F HA 0.266 4.794 4.527 0.001 0.000 0.334 357 F C 0.131 175.960 175.800 0.047 0.000 1.071 357 F CA -0.472 57.611 58.000 0.138 0.000 1.172 357 F CB 0.803 39.878 39.000 0.126 0.000 1.054 357 F HN -0.079 nan 8.300 nan 0.000 0.572 358 R N -1.606 119.028 120.500 0.224 0.000 2.828 358 R HA 0.365 4.706 4.340 0.001 0.000 0.280 358 R C -3.378 172.978 176.300 0.094 0.000 1.020 358 R CA -1.830 54.331 56.100 0.102 0.000 0.855 358 R CB -0.038 30.265 30.300 0.005 0.000 1.278 358 R HN -0.364 nan 8.270 nan 0.000 0.495 359 P HA -0.037 nan 4.420 nan 0.000 0.262 359 P C -0.210 177.109 177.300 0.032 0.000 1.182 359 P CA 0.248 63.367 63.100 0.032 0.000 0.761 359 P CB 0.702 32.399 31.700 -0.005 0.000 0.795 360 S N 2.171 117.903 115.700 0.054 0.000 2.580 360 S HA 0.116 4.587 4.470 0.001 0.000 0.266 360 S C 0.240 174.864 174.600 0.039 0.000 1.354 360 S CA -0.645 57.602 58.200 0.079 0.000 1.008 360 S CB 0.346 63.612 63.200 0.110 0.000 0.898 360 S HN 0.528 nan 8.310 nan 0.000 0.555 361 E N 1.288 121.534 120.200 0.077 0.000 2.266 361 E HA 0.403 4.754 4.350 0.001 0.000 0.277 361 E C -2.806 173.814 176.600 0.032 0.000 1.018 361 E CA -2.472 53.937 56.400 0.014 0.000 0.840 361 E CB 0.518 30.232 29.700 0.024 0.000 1.082 361 E HN 0.458 nan 8.360 nan 0.000 0.395 362 P HA 0.207 nan 4.420 nan 0.000 0.277 362 P C -0.690 176.505 177.300 -0.176 0.000 1.240 362 P CA -0.260 62.709 63.100 -0.218 0.000 0.798 362 P CB 0.719 31.934 31.700 -0.808 0.000 0.979 363 H N 2.061 121.131 119.070 -0.001 0.000 2.786 363 H HA 0.277 4.834 4.556 0.001 0.000 0.284 363 H C -0.223 175.215 175.328 0.183 0.000 1.104 363 H CA -0.373 55.767 56.048 0.153 0.000 1.339 363 H CB 0.152 30.041 29.762 0.212 0.000 1.427 363 H HN 0.313 nan 8.280 nan 0.000 0.497 364 F N 1.874 121.980 119.950 0.260 0.000 2.418 364 F HA 0.028 4.555 4.527 0.001 0.000 0.341 364 F C 1.715 177.695 175.800 0.301 0.000 1.120 364 F CA -0.276 57.894 58.000 0.282 0.000 1.232 364 F CB 0.891 39.992 39.000 0.169 0.000 1.175 364 F HN 0.363 nan 8.300 nan 0.000 0.569 365 T N 0.526 115.379 114.554 0.497 0.000 2.726 365 T HA 0.113 4.463 4.350 0.001 0.000 0.294 365 T C 1.112 176.004 174.700 0.319 0.000 1.013 365 T CA -0.798 61.533 62.100 0.386 0.000 0.996 365 T CB 0.663 69.742 68.868 0.353 0.000 1.016 365 T HN 0.576 nan 8.240 nan 0.000 0.529 366 L N 1.244 122.613 121.223 0.242 0.000 1.990 366 L HA -0.111 4.229 4.340 0.001 0.000 0.213 366 L C 1.960 178.941 176.870 0.185 0.000 1.072 366 L CA 2.606 57.562 54.840 0.194 0.000 0.755 366 L CB -1.277 40.874 42.059 0.154 0.000 0.889 366 L HN 0.936 nan 8.230 nan 0.000 0.432 367 D N -1.318 119.192 120.400 0.183 0.000 2.363 367 D HA 0.113 4.753 4.640 0.001 0.000 0.226 367 D C 1.595 178.005 176.300 0.183 0.000 1.020 367 D CA 0.705 54.802 54.000 0.163 0.000 0.892 367 D CB -0.606 40.279 40.800 0.142 0.000 0.900 367 D HN 0.503 nan 8.370 nan 0.000 0.531 368 G N 0.546 109.495 108.800 0.248 0.000 2.168 368 G HA2 -0.369 3.592 3.960 0.001 0.000 0.257 368 G HA3 -0.369 3.592 3.960 0.001 0.000 0.257 368 G C 0.928 176.031 174.900 0.339 0.000 0.997 368 G CA 0.448 45.722 45.100 0.290 0.000 0.708 368 G HN 0.367 nan 8.290 nan 0.000 0.520 369 N N -0.044 118.829 118.700 0.288 0.000 2.422 369 N HA 0.156 4.897 4.740 0.001 0.000 0.181 369 N C 1.114 176.757 175.510 0.222 0.000 1.080 369 N CA 1.161 54.350 53.050 0.232 0.000 0.893 369 N CB 0.394 38.974 38.487 0.156 0.000 0.973 369 N HN 0.904 nan 8.380 nan 0.000 0.456 370 S N -0.506 115.352 115.700 0.263 0.000 2.638 370 S HA 0.777 5.248 4.470 0.001 0.000 0.274 370 S C -0.947 173.739 174.600 0.143 0.000 1.157 370 S CA -0.959 57.268 58.200 0.046 0.000 0.826 370 S CB 1.831 64.975 63.200 -0.093 0.000 1.139 370 S HN 0.119 nan 8.310 nan 0.000 0.474 371 F N -2.027 117.747 119.950 -0.294 0.000 2.713 371 F HA 0.798 5.326 4.527 0.001 0.000 0.311 371 F C -2.211 173.384 175.800 -0.342 0.000 1.141 371 F CA -1.537 56.230 58.000 -0.387 0.000 0.939 371 F CB 0.605 39.005 39.000 -1.001 0.000 1.325 371 F HN 0.600 nan 8.300 nan 0.000 0.453 372 Y N 1.264 121.733 120.300 0.282 0.000 2.377 372 Y HA 0.683 5.234 4.550 0.001 0.000 0.339 372 Y C -0.249 175.818 175.900 0.279 0.000 1.011 372 Y CA -0.797 57.442 58.100 0.231 0.000 1.093 372 Y CB 2.155 40.691 38.460 0.125 0.000 1.201 372 Y HN 0.743 nan 8.280 nan 0.000 0.455 373 K N 3.179 123.806 120.400 0.380 0.000 2.543 373 K HA 0.513 4.834 4.320 0.001 0.000 0.255 373 K C -1.773 174.967 176.600 0.235 0.000 0.934 373 K CA -0.519 55.950 56.287 0.302 0.000 0.810 373 K CB 1.468 34.121 32.500 0.256 0.000 1.315 373 K HN 0.723 nan 8.250 nan 0.000 0.433 374 I N 6.359 127.034 120.570 0.174 0.000 2.471 374 I HA 0.267 4.438 4.170 0.001 0.000 0.286 374 I C 0.212 176.419 176.117 0.150 0.000 1.079 374 I CA -0.276 61.106 61.300 0.137 0.000 1.398 374 I CB 0.330 38.388 38.000 0.097 0.000 1.403 374 I HN 0.512 nan 8.210 nan 0.000 0.530 375 I N 1.846 122.531 120.570 0.191 0.000 2.994 375 I HA 0.458 4.628 4.170 0.001 0.000 0.306 375 I C -0.324 175.912 176.117 0.200 0.000 1.195 375 I CA -0.838 60.572 61.300 0.183 0.000 1.001 375 I CB 2.126 40.253 38.000 0.213 0.000 1.244 375 I HN 0.375 nan 8.210 nan 0.000 0.437 376 S N 2.829 118.584 115.700 0.091 0.000 2.510 376 S HA 0.234 4.704 4.470 0.001 0.000 0.279 376 S C 0.003 174.636 174.600 0.055 0.000 1.284 376 S CA -0.456 57.742 58.200 -0.003 0.000 1.059 376 S CB -0.271 62.868 63.200 -0.101 0.000 0.901 376 S HN 0.819 nan 8.310 nan 0.000 0.491 377 N N 4.055 122.685 118.700 -0.117 0.000 2.366 377 N HA 0.189 4.930 4.740 0.001 0.000 0.277 377 N C 0.720 176.122 175.510 -0.179 0.000 1.275 377 N CA -0.396 52.445 53.050 -0.348 0.000 0.964 377 N CB -0.034 37.854 38.487 -0.998 0.000 1.167 377 N HN 0.562 nan 8.380 nan 0.000 0.568 378 E N -0.603 119.487 120.200 -0.184 0.000 2.333 378 E HA -0.123 4.228 4.350 0.001 0.000 0.198 378 E C 0.413 176.955 176.600 -0.097 0.000 1.007 378 E CA 0.875 57.215 56.400 -0.101 0.000 0.845 378 E CB -0.060 29.591 29.700 -0.082 0.000 0.766 378 E HN 0.602 nan 8.360 nan 0.000 0.507 379 E N -0.449 119.687 120.200 -0.106 0.000 2.474 379 E HA 0.080 4.431 4.350 0.001 0.000 0.194 379 E C 1.270 177.836 176.600 -0.056 0.000 1.041 379 E CA 0.571 56.959 56.400 -0.019 0.000 0.874 379 E CB 0.452 30.194 29.700 0.070 0.000 0.914 379 E HN 0.325 nan 8.360 nan 0.000 0.498 380 G N 0.982 109.693 108.800 -0.149 0.000 2.141 380 G HA2 -0.287 3.674 3.960 0.001 0.000 0.242 380 G HA3 -0.287 3.674 3.960 0.001 0.000 0.242 380 G C -0.325 174.299 174.900 -0.460 0.000 0.982 380 G CA 0.016 44.934 45.100 -0.304 0.000 0.662 380 G HN 0.227 nan 8.290 nan 0.000 0.527 381 Y N 0.219 120.387 120.300 -0.220 0.000 2.360 381 Y HA 0.629 5.179 4.550 0.001 0.000 0.337 381 Y C 1.167 176.895 175.900 -0.286 0.000 1.039 381 Y CA -0.915 57.035 58.100 -0.250 0.000 1.109 381 Y CB 1.054 39.385 38.460 -0.215 0.000 1.201 381 Y HN 0.082 nan 8.280 nan 0.000 0.458 382 R N 3.851 124.199 120.500 -0.253 0.000 2.296 382 R HA 0.240 4.581 4.340 0.001 0.000 0.323 382 R C -0.739 175.253 176.300 -0.514 0.000 1.067 382 R CA 0.047 56.002 56.100 -0.242 0.000 0.946 382 R CB 0.052 30.266 30.300 -0.144 0.000 0.991 382 R HN 0.661 nan 8.270 nan 0.000 0.448 383 H N 1.709 120.746 119.070 -0.054 0.000 2.949 383 H HA 0.344 4.900 4.556 0.001 0.000 0.356 383 H C -0.151 175.244 175.328 0.113 0.000 1.212 383 H CA -0.951 55.049 56.048 -0.079 0.000 1.136 383 H CB 1.581 31.196 29.762 -0.245 0.000 1.869 383 H HN 0.303 nan 8.280 nan 0.000 0.556 384 I N 1.124 121.780 120.570 0.143 0.000 2.441 384 I HA 0.074 4.244 4.170 0.001 0.000 0.287 384 I C 0.324 176.461 176.117 0.033 0.000 1.049 384 I CA 0.066 61.405 61.300 0.065 0.000 1.381 384 I CB 0.508 38.457 38.000 -0.085 0.000 1.409 384 I HN 0.156 nan 8.210 nan 0.000 0.523 385 c N 6.885 125.419 118.600 -0.111 0.000 2.456 385 c HA 0.446 5.016 4.570 0.001 0.000 0.325 385 c C -0.532 173.381 174.090 -0.294 0.000 1.217 385 c CA -0.510 55.499 56.329 -0.534 0.000 1.687 385 c CB 1.026 42.899 42.510 -1.062 0.000 2.270 385 c HN 0.641 nan 8.230 nan 0.000 0.499 386 Y N 4.569 124.526 120.300 -0.572 0.000 2.335 386 Y HA 0.651 5.201 4.550 0.001 0.000 0.339 386 Y C -1.029 174.416 175.900 -0.759 0.000 0.987 386 Y CA -1.016 56.719 58.100 -0.608 0.000 1.140 386 Y CB 0.204 38.435 38.460 -0.382 0.000 1.173 386 Y HN 0.621 nan 8.280 nan 0.000 0.486 387 F N 3.816 123.035 119.950 -1.218 0.000 2.492 387 F HA 0.450 4.977 4.527 0.001 0.000 0.327 387 F C -0.086 174.935 175.800 -1.299 0.000 1.079 387 F CA -0.959 56.240 58.000 -1.335 0.000 0.967 387 F CB 1.576 39.369 39.000 -2.012 0.000 1.169 387 F HN 0.283 nan 8.300 nan 0.000 0.472 388 Q N 2.349 121.792 119.800 -0.594 0.000 2.271 388 Q HA 0.338 4.679 4.340 0.001 0.000 0.258 388 Q C 1.004 176.967 176.000 -0.062 0.000 0.936 388 Q CA -0.279 55.317 55.803 -0.344 0.000 0.909 388 Q CB 1.500 30.098 28.738 -0.234 0.000 1.253 388 Q HN 0.709 nan 8.270 nan 0.000 0.440 389 I N -0.497 120.135 120.570 0.104 0.000 2.335 389 I HA -0.167 4.004 4.170 0.001 0.000 0.251 389 I C 0.459 176.791 176.117 0.358 0.000 1.129 389 I CA 1.557 63.071 61.300 0.357 0.000 1.402 389 I CB -0.067 38.151 38.000 0.362 0.000 1.069 389 I HN 0.446 nan 8.210 nan 0.000 0.424 390 D N 0.516 121.019 120.400 0.172 0.000 2.615 390 D HA 0.279 4.920 4.640 0.001 0.000 0.236 390 D C -0.232 176.097 176.300 0.049 0.000 1.233 390 D CA -0.308 53.745 54.000 0.088 0.000 0.829 390 D CB 0.223 41.054 40.800 0.052 0.000 1.024 390 D HN 0.214 nan 8.370 nan 0.000 0.490 391 K N 0.203 120.664 120.400 0.102 0.000 2.427 391 K HA 0.351 4.672 4.320 0.001 0.000 0.252 391 K C 0.784 177.445 176.600 0.101 0.000 0.931 391 K CA -0.703 55.608 56.287 0.041 0.000 0.793 391 K CB 2.099 34.583 32.500 -0.027 0.000 1.211 391 K HN -0.352 nan 8.250 nan 0.000 0.426 392 K N 0.475 120.889 120.400 0.023 0.000 2.116 392 K HA 0.065 4.385 4.320 0.001 0.000 0.203 392 K C -0.317 176.310 176.600 0.046 0.000 1.052 392 K CA 1.013 57.328 56.287 0.047 0.000 0.952 392 K CB 0.140 32.635 32.500 -0.009 0.000 0.729 392 K HN 0.584 nan 8.250 nan 0.000 0.446 393 D N 1.458 121.827 120.400 -0.051 0.000 2.264 393 D HA 0.085 4.726 4.640 0.001 0.000 0.250 393 D C 0.313 176.425 176.300 -0.313 0.000 1.113 393 D CA -0.237 53.676 54.000 -0.146 0.000 0.871 393 D CB 1.234 41.961 40.800 -0.121 0.000 1.167 393 D HN 0.182 nan 8.370 nan 0.000 0.447 394 c N 0.437 118.697 118.600 -0.566 0.000 2.399 394 c HA 0.769 5.340 4.570 0.001 0.000 0.348 394 c C 0.269 173.960 174.090 -0.666 0.000 1.183 394 c CA -0.644 55.117 56.329 -0.948 0.000 2.023 394 c CB 1.053 42.279 42.510 -2.140 0.000 2.361 394 c HN 0.461 nan 8.230 nan 0.000 0.521 395 T N 2.457 116.692 114.554 -0.533 0.000 2.771 395 T HA 0.471 4.822 4.350 0.001 0.000 0.281 395 T C -0.600 173.912 174.700 -0.313 0.000 0.982 395 T CA 0.158 62.098 62.100 -0.267 0.000 0.978 395 T CB 0.309 69.167 68.868 -0.016 0.000 0.930 395 T HN 0.503 nan 8.240 nan 0.000 0.447 396 F N 3.172 123.023 119.950 -0.165 0.000 2.456 396 F HA 0.268 4.796 4.527 0.001 0.000 0.358 396 F C 1.612 177.266 175.800 -0.243 0.000 1.095 396 F CA -0.810 57.072 58.000 -0.196 0.000 1.216 396 F CB 0.490 39.371 39.000 -0.198 0.000 1.125 396 F HN 0.570 nan 8.300 nan 0.000 0.549 397 I N -0.749 119.702 120.570 -0.199 0.000 3.941 397 I HA 0.227 4.397 4.170 0.001 0.000 0.321 397 I C 0.234 176.166 176.117 -0.308 0.000 1.284 397 I CA 0.124 61.075 61.300 -0.581 0.000 1.226 397 I CB 0.013 37.365 38.000 -1.081 0.000 1.045 397 I HN 0.493 nan 8.210 nan 0.000 0.420 398 T N 0.153 114.597 114.554 -0.185 0.000 2.906 398 T HA 0.731 5.081 4.350 0.001 0.000 0.295 398 T C -0.719 173.655 174.700 -0.544 0.000 1.075 398 T CA -0.706 61.281 62.100 -0.189 0.000 1.005 398 T CB 2.687 71.511 68.868 -0.073 0.000 1.136 398 T HN 0.492 nan 8.240 nan 0.000 0.498 399 K N -0.379 119.522 120.400 -0.832 0.000 2.642 399 K HA 0.766 5.087 4.320 0.001 0.000 0.290 399 K C -0.503 175.441 176.600 -1.094 0.000 1.006 399 K CA -0.910 54.556 56.287 -1.368 0.000 0.869 399 K CB 1.262 33.350 32.500 -0.687 0.000 1.499 399 K HN 1.632 nan 8.250 nan 0.000 0.403 400 G N -0.036 108.146 108.800 -1.029 0.000 2.340 400 G HA2 0.087 4.048 3.960 0.001 0.000 0.527 400 G HA3 0.087 4.048 3.960 0.001 0.000 0.527 400 G C -0.695 173.645 174.900 -0.933 0.000 1.381 400 G CA -0.401 44.267 45.100 -0.720 0.000 1.001 400 G HN 1.060 nan 8.290 nan 0.000 0.626 401 T N -0.300 113.841 114.554 -0.689 0.000 4.313 401 T HA 0.551 4.902 4.350 0.001 0.000 0.272 401 T C 0.283 174.775 174.700 -0.346 0.000 1.298 401 T CA 0.668 62.158 62.100 -1.017 0.000 1.124 401 T CB -0.986 67.565 68.868 -0.527 0.000 1.352 401 T HN 1.573 nan 8.240 nan 0.000 1.013 402 W N -0.305 120.825 121.300 -0.282 0.000 2.881 402 W HA 0.619 5.279 4.660 0.001 0.000 0.380 402 W C -1.588 174.925 176.519 -0.010 0.000 1.170 402 W CA -0.979 56.352 57.345 -0.023 0.000 1.171 402 W CB 0.595 30.031 29.460 -0.040 0.000 1.464 402 W HN 0.216 nan 8.180 nan 0.000 0.574 403 E N 0.735 121.138 120.200 0.339 0.000 2.367 403 E HA 0.445 4.796 4.350 0.001 0.000 0.273 403 E C -1.239 175.492 176.600 0.217 0.000 0.903 403 E CA -1.141 55.246 56.400 -0.021 0.000 0.764 403 E CB 3.380 33.090 29.700 0.016 0.000 1.252 403 E HN 0.165 nan 8.360 nan 0.000 0.446 404 V N 3.622 123.526 119.914 -0.017 0.000 2.488 404 V HA 0.017 4.138 4.120 0.001 0.000 0.277 404 V C 1.206 177.383 176.094 0.138 0.000 1.046 404 V CA -0.026 62.356 62.300 0.137 0.000 0.986 404 V CB 0.602 32.388 31.823 -0.062 0.000 0.989 404 V HN 0.686 nan 8.190 nan 0.000 0.475 405 I N 3.085 123.767 120.570 0.188 0.000 2.400 405 I HA 0.248 4.418 4.170 0.001 0.000 0.248 405 I C 1.109 177.329 176.117 0.171 0.000 1.109 405 I CA 1.193 62.593 61.300 0.165 0.000 1.425 405 I CB -0.792 37.252 38.000 0.074 0.000 1.094 405 I HN 0.750 nan 8.210 nan 0.000 0.425 406 G N 0.681 109.584 108.800 0.172 0.000 2.667 406 G HA2 0.532 4.493 3.960 0.001 0.000 0.294 406 G HA3 0.532 4.493 3.960 0.001 0.000 0.294 406 G C -1.252 173.726 174.900 0.131 0.000 1.467 406 G CA -0.564 44.628 45.100 0.153 0.000 0.852 406 G HN -0.040 nan 8.290 nan 0.000 0.521 407 I N 1.531 122.104 120.570 0.004 0.000 2.371 407 I HA 0.250 4.421 4.170 0.001 0.000 0.290 407 I C 0.703 176.744 176.117 -0.127 0.000 1.028 407 I CA -0.496 60.708 61.300 -0.160 0.000 1.345 407 I CB 1.678 39.308 38.000 -0.617 0.000 1.407 407 I HN 0.522 nan 8.210 nan 0.000 0.501 408 E N 4.905 125.095 120.200 -0.018 0.000 2.330 408 E HA 0.346 4.696 4.350 0.001 0.000 0.200 408 E C 0.084 176.611 176.600 -0.123 0.000 0.922 408 E CA 0.199 56.621 56.400 0.037 0.000 0.935 408 E CB 0.917 30.711 29.700 0.157 0.000 0.917 408 E HN 0.656 nan 8.360 nan 0.000 0.491 409 A N 0.736 123.396 122.820 -0.267 0.000 2.604 409 A HA 0.619 4.940 4.320 0.001 0.000 0.295 409 A C -1.972 175.557 177.584 -0.092 0.000 1.067 409 A CA -0.629 51.187 52.037 -0.369 0.000 0.683 409 A CB 1.371 19.603 19.000 -1.280 0.000 1.281 409 A HN 0.041 nan 8.150 nan 0.000 0.407 410 L N 1.388 122.608 121.223 -0.005 0.000 2.438 410 L HA 0.830 5.170 4.340 0.001 0.000 0.270 410 L C 0.113 177.039 176.870 0.093 0.000 0.972 410 L CA 0.509 55.381 54.840 0.054 0.000 0.831 410 L CB 2.132 44.255 42.059 0.106 0.000 1.273 410 L HN 1.234 nan 8.230 nan 0.000 0.405 411 T N -0.365 114.256 114.554 0.111 0.000 2.883 411 T HA 0.432 4.783 4.350 0.001 0.000 0.284 411 T C 0.986 175.735 174.700 0.081 0.000 1.041 411 T CA 0.088 62.261 62.100 0.122 0.000 1.007 411 T CB 1.217 70.194 68.868 0.182 0.000 1.220 411 T HN 0.664 nan 8.240 nan 0.000 0.552 412 S N -0.401 115.345 115.700 0.076 0.000 2.423 412 S HA -0.075 4.395 4.470 0.001 0.000 0.231 412 S C 0.992 175.575 174.600 -0.028 0.000 1.014 412 S CA 1.000 59.227 58.200 0.046 0.000 0.965 412 S CB -0.532 62.699 63.200 0.052 0.000 0.785 412 S HN 0.712 nan 8.310 nan 0.000 0.495 413 D N -0.515 119.853 120.400 -0.054 0.000 2.324 413 D HA 0.227 4.868 4.640 0.001 0.000 0.212 413 D C -0.374 175.601 176.300 -0.542 0.000 0.984 413 D CA 0.710 54.551 54.000 -0.265 0.000 0.885 413 D CB 0.247 40.907 40.800 -0.234 0.000 0.996 413 D HN 0.439 nan 8.370 nan 0.000 0.505 414 Y N -0.290 119.947 120.300 -0.106 0.000 2.581 414 Y HA 0.473 5.024 4.550 0.001 0.000 0.345 414 Y C -0.547 175.160 175.900 -0.321 0.000 1.036 414 Y CA -1.043 56.897 58.100 -0.267 0.000 1.042 414 Y CB 2.444 40.617 38.460 -0.479 0.000 1.289 414 Y HN -0.281 nan 8.280 nan 0.000 0.471 415 L N 2.329 123.413 121.223 -0.232 0.000 2.341 415 L HA 0.611 4.952 4.340 0.001 0.000 0.278 415 L C -1.898 174.820 176.870 -0.253 0.000 1.005 415 L CA -0.607 54.085 54.840 -0.247 0.000 0.818 415 L CB 0.933 42.748 42.059 -0.407 0.000 1.259 415 L HN 0.604 nan 8.230 nan 0.000 0.418 416 Y N 4.975 125.193 120.300 -0.137 0.000 2.330 416 Y HA 0.546 5.097 4.550 0.001 0.000 0.336 416 Y C -0.427 175.452 175.900 -0.036 0.000 1.036 416 Y CA -0.264 57.740 58.100 -0.160 0.000 1.125 416 Y CB 1.285 39.517 38.460 -0.381 0.000 1.194 416 Y HN 0.554 nan 8.280 nan 0.000 0.469 417 Y N 0.087 120.429 120.300 0.072 0.000 2.655 417 Y HA 0.810 5.361 4.550 0.001 0.000 0.336 417 Y C -1.834 174.139 175.900 0.123 0.000 1.154 417 Y CA -2.057 56.081 58.100 0.064 0.000 1.055 417 Y CB 1.125 39.597 38.460 0.020 0.000 1.295 417 Y HN 0.410 nan 8.280 nan 0.000 0.465 418 I N 2.935 123.660 120.570 0.258 0.000 2.404 418 I HA 0.639 4.810 4.170 0.001 0.000 0.293 418 I C -0.428 175.872 176.117 0.304 0.000 0.992 418 I CA -0.421 60.982 61.300 0.170 0.000 1.149 418 I CB 1.939 39.991 38.000 0.087 0.000 1.315 418 I HN 0.866 nan 8.210 nan 0.000 0.446 419 S N 3.164 119.020 115.700 0.261 0.000 2.651 419 S HA 0.438 4.909 4.470 0.001 0.000 0.279 419 S C -0.543 174.117 174.600 0.101 0.000 1.148 419 S CA -0.896 57.447 58.200 0.237 0.000 0.837 419 S CB 1.686 65.051 63.200 0.275 0.000 1.138 419 S HN 0.630 nan 8.310 nan 0.000 0.478 420 N N -0.399 118.357 118.700 0.093 0.000 2.380 420 N HA 0.159 4.900 4.740 0.001 0.000 0.255 420 N C 0.502 175.991 175.510 -0.035 0.000 1.158 420 N CA -0.362 52.699 53.050 0.019 0.000 0.878 420 N CB 0.321 38.812 38.487 0.006 0.000 1.138 420 N HN 0.812 nan 8.380 nan 0.000 0.509 421 E N -0.102 119.930 120.200 -0.280 0.000 2.072 421 E HA -0.193 4.158 4.350 0.001 0.000 0.191 421 E C -0.336 176.118 176.600 -0.244 0.000 0.985 421 E CA 0.286 56.277 56.400 -0.683 0.000 0.801 421 E CB -0.069 28.632 29.700 -1.665 0.000 0.750 421 E HN 0.409 nan 8.360 nan 0.000 0.452 422 Y N 2.077 122.287 120.300 -0.151 0.000 2.881 422 Y HA -0.166 4.385 4.550 0.001 0.000 0.335 422 Y C 0.400 176.262 175.900 -0.063 0.000 1.263 422 Y CA 0.974 59.032 58.100 -0.069 0.000 1.572 422 Y CB 0.082 38.524 38.460 -0.029 0.000 1.237 422 Y HN 0.092 nan 8.280 nan 0.000 0.568 423 K N 3.448 123.535 120.400 -0.522 0.000 3.048 423 K HA -0.257 4.064 4.320 0.001 0.000 0.274 423 K C 0.882 177.398 176.600 -0.139 0.000 1.098 423 K CA 0.789 56.834 56.287 -0.404 0.000 0.807 423 K CB -1.800 30.396 32.500 -0.506 0.000 1.217 423 K HN 1.270 nan 8.250 nan 0.000 0.477 424 G N 0.653 109.393 108.800 -0.100 0.000 2.258 424 G HA2 -0.336 3.625 3.960 0.001 0.000 0.274 424 G HA3 -0.336 3.625 3.960 0.001 0.000 0.274 424 G C 0.058 174.941 174.900 -0.028 0.000 1.021 424 G CA 0.904 45.996 45.100 -0.014 0.000 0.798 424 G HN 0.366 nan 8.290 nan 0.000 0.507 425 M N 0.948 120.466 119.600 -0.138 0.000 2.111 425 M HA 0.213 4.693 4.480 0.001 0.000 0.351 425 M C -0.733 175.344 176.300 -0.373 0.000 1.214 425 M CA -1.927 53.139 55.300 -0.389 0.000 1.120 425 M CB 1.429 33.856 32.600 -0.288 0.000 1.443 425 M HN -0.043 nan 8.290 nan 0.000 0.429 426 P HA -0.107 nan 4.420 nan 0.000 0.222 426 P C 1.008 178.184 177.300 -0.207 0.000 1.147 426 P CA 1.305 64.253 63.100 -0.254 0.000 0.790 426 P CB 0.122 31.688 31.700 -0.224 0.000 0.780 427 G N -0.640 107.964 108.800 -0.327 0.000 3.233 427 G HA2 0.311 4.272 3.960 0.001 0.000 0.227 427 G HA3 0.311 4.272 3.960 0.001 0.000 0.227 427 G C 0.652 175.562 174.900 0.017 0.000 1.175 427 G CA 0.113 45.148 45.100 -0.109 0.000 0.781 427 G HN 0.456 nan 8.290 nan 0.000 0.542 428 G N -0.228 108.526 108.800 -0.077 0.000 2.489 428 G HA2 0.664 4.625 3.960 0.001 0.000 0.327 428 G HA3 0.664 4.625 3.960 0.001 0.000 0.327 428 G C -0.887 173.895 174.900 -0.197 0.000 1.189 428 G CA -0.808 44.273 45.100 -0.031 0.000 0.962 428 G HN 0.089 nan 8.290 nan 0.000 0.486 429 R N 1.079 121.408 120.500 -0.285 0.000 2.533 429 R HA 0.427 4.768 4.340 0.001 0.000 0.288 429 R C -1.310 174.932 176.300 -0.097 0.000 1.039 429 R CA -0.805 55.105 56.100 -0.317 0.000 0.909 429 R CB 2.164 32.027 30.300 -0.728 0.000 1.195 429 R HN 0.592 nan 8.270 nan 0.000 0.438 430 N N 1.578 120.237 118.700 -0.068 0.000 2.284 430 N HA 0.345 5.085 4.740 0.001 0.000 0.289 430 N C -1.277 174.056 175.510 -0.294 0.000 1.179 430 N CA -0.831 52.081 53.050 -0.232 0.000 0.774 430 N CB 2.742 40.978 38.487 -0.419 0.000 1.548 430 N HN 0.258 nan 8.380 nan 0.000 0.473 431 L N 2.078 122.991 121.223 -0.516 0.000 2.292 431 L HA 0.473 4.814 4.340 0.001 0.000 0.284 431 L C -1.404 175.059 176.870 -0.679 0.000 1.065 431 L CA 0.059 54.633 54.840 -0.442 0.000 0.806 431 L CB -0.077 41.732 42.059 -0.416 0.000 1.175 431 L HN 0.413 nan 8.230 nan 0.000 0.431 432 Y N 3.360 123.293 120.300 -0.613 0.000 2.602 432 Y HA 0.659 5.210 4.550 0.001 0.000 0.342 432 Y C -0.475 175.037 175.900 -0.648 0.000 1.029 432 Y CA -0.898 56.789 58.100 -0.688 0.000 1.080 432 Y CB 1.689 39.574 38.460 -0.959 0.000 1.284 432 Y HN 0.564 nan 8.280 nan 0.000 0.485 433 K N 1.570 121.783 120.400 -0.311 0.000 2.464 433 K HA 0.788 5.109 4.320 0.001 0.000 0.253 433 K C -1.942 174.595 176.600 -0.104 0.000 0.933 433 K CA -0.757 55.274 56.287 -0.425 0.000 0.801 433 K CB 2.948 34.963 32.500 -0.808 0.000 1.271 433 K HN 0.752 nan 8.250 nan 0.000 0.430 434 I N 1.649 122.236 120.570 0.029 0.000 2.545 434 I HA 0.180 4.351 4.170 0.001 0.000 0.292 434 I C -0.916 175.295 176.117 0.156 0.000 1.040 434 I CA -0.827 60.565 61.300 0.153 0.000 1.068 434 I CB 2.228 40.326 38.000 0.162 0.000 1.251 434 I HN 0.851 nan 8.210 nan 0.000 0.424 435 Q N 6.171 126.047 119.800 0.126 0.000 2.281 435 Q HA 0.193 4.534 4.340 0.001 0.000 0.267 435 Q C 0.378 176.319 176.000 -0.098 0.000 1.053 435 Q CA -0.154 55.530 55.803 -0.199 0.000 0.905 435 Q CB 1.055 29.725 28.738 -0.114 0.000 1.195 435 Q HN 0.806 nan 8.270 nan 0.000 0.398 436 L N 2.443 123.547 121.223 -0.197 0.000 2.265 436 L HA -0.170 4.171 4.340 0.001 0.000 0.215 436 L C 2.130 178.950 176.870 -0.084 0.000 1.117 436 L CA 1.231 56.048 54.840 -0.038 0.000 0.782 436 L CB -0.337 41.649 42.059 -0.121 0.000 0.914 436 L HN 0.650 nan 8.230 nan 0.000 0.441 437 S N -2.571 113.025 115.700 -0.173 0.000 2.558 437 S HA -0.021 4.449 4.470 0.001 0.000 0.217 437 S C 0.487 174.944 174.600 -0.239 0.000 0.975 437 S CA -0.015 58.066 58.200 -0.198 0.000 0.912 437 S CB 0.111 63.217 63.200 -0.157 0.000 0.776 437 S HN 0.368 nan 8.310 nan 0.000 0.526 438 D N -0.055 120.225 120.400 -0.200 0.000 2.351 438 D HA 0.180 4.821 4.640 0.001 0.000 0.235 438 D C -0.463 175.835 176.300 -0.003 0.000 1.331 438 D CA -0.543 53.360 54.000 -0.162 0.000 0.959 438 D CB -0.066 40.683 40.800 -0.086 0.000 1.432 438 D HN -0.019 nan 8.370 nan 0.000 0.544 439 Y N 0.836 121.115 120.300 -0.034 0.000 2.651 439 Y HA -0.105 4.445 4.550 0.001 0.000 0.293 439 Y C 2.527 178.431 175.900 0.007 0.000 1.151 439 Y CA 1.436 59.527 58.100 -0.016 0.000 1.362 439 Y CB -1.114 37.337 38.460 -0.015 0.000 0.973 439 Y HN 0.418 nan 8.280 nan 0.000 0.561 440 T N -3.063 111.570 114.554 0.131 0.000 3.088 440 T HA -0.002 4.349 4.350 0.001 0.000 0.259 440 T C 0.739 175.489 174.700 0.084 0.000 1.122 440 T CA 0.103 62.257 62.100 0.090 0.000 1.095 440 T CB -0.058 68.838 68.868 0.047 0.000 0.930 440 T HN -0.031 nan 8.240 nan 0.000 0.508 441 K N 2.510 122.964 120.400 0.090 0.000 2.184 441 K HA 0.453 4.774 4.320 0.001 0.000 0.259 441 K C -1.072 175.601 176.600 0.121 0.000 1.119 441 K CA -0.204 56.137 56.287 0.091 0.000 0.991 441 K CB 1.080 33.629 32.500 0.081 0.000 1.522 441 K HN 0.191 nan 8.250 nan 0.000 0.405 442 V N 2.297 122.279 119.914 0.112 0.000 2.417 442 V HA 0.282 4.403 4.120 0.001 0.000 0.291 442 V C 0.005 176.157 176.094 0.098 0.000 1.024 442 V CA -0.547 61.829 62.300 0.127 0.000 0.861 442 V CB 1.881 33.791 31.823 0.145 0.000 0.985 442 V HN 0.529 nan 8.190 nan 0.000 0.436 443 T N 3.503 118.090 114.554 0.054 0.000 2.812 443 T HA 0.247 4.597 4.350 0.001 0.000 0.282 443 T C -0.391 174.241 174.700 -0.113 0.000 0.990 443 T CA -0.297 61.788 62.100 -0.025 0.000 0.960 443 T CB 1.232 70.046 68.868 -0.090 0.000 0.948 443 T HN 0.758 nan 8.240 nan 0.000 0.438 444 C N 4.881 124.054 119.300 -0.211 0.000 2.499 444 C HA 0.418 4.879 4.460 0.001 0.000 0.386 444 C C 1.596 176.263 174.990 -0.538 0.000 1.293 444 C CA -0.486 58.129 59.018 -0.672 0.000 1.884 444 C CB -1.621 25.631 27.740 -0.814 0.000 2.509 444 C HN 0.991 nan 8.230 nan 0.000 0.566 445 L N 4.596 125.454 121.223 -0.607 0.000 2.554 445 L HA 0.115 4.456 4.340 0.001 0.000 0.225 445 L C 2.056 178.611 176.870 -0.525 0.000 1.104 445 L CA 0.715 55.287 54.840 -0.448 0.000 0.866 445 L CB -0.165 41.670 42.059 -0.372 0.000 1.047 445 L HN 0.884 nan 8.230 nan 0.000 0.468 446 S N -3.184 112.078 115.700 -0.730 0.000 2.589 446 S HA -0.012 4.458 4.470 0.001 0.000 0.235 446 S C 1.806 175.972 174.600 -0.723 0.000 1.051 446 S CA -0.095 57.568 58.200 -0.896 0.000 0.978 446 S CB -0.302 61.933 63.200 -1.608 0.000 0.929 446 S HN 0.278 nan 8.310 nan 0.000 0.523 447 C N 2.147 120.999 119.300 -0.747 0.000 2.385 447 C HA -0.033 4.427 4.460 0.001 0.000 0.275 447 C C 2.396 177.069 174.990 -0.530 0.000 1.207 447 C CA 1.504 60.018 59.018 -0.840 0.000 1.760 447 C CB -1.061 25.921 27.740 -1.263 0.000 2.051 447 C HN 0.593 nan 8.230 nan 0.000 0.467 448 E N -0.152 119.828 120.200 -0.366 0.000 2.476 448 E HA 0.211 4.562 4.350 0.001 0.000 0.196 448 E C 1.805 178.346 176.600 -0.099 0.000 1.029 448 E CA -0.080 56.215 56.400 -0.175 0.000 0.896 448 E CB -0.247 29.373 29.700 -0.133 0.000 1.012 448 E HN 0.558 nan 8.360 nan 0.000 0.475 449 L N 0.189 121.349 121.223 -0.105 0.000 2.012 449 L HA -0.083 4.257 4.340 0.001 0.000 0.210 449 L C 0.906 177.787 176.870 0.018 0.000 1.073 449 L CA 0.973 55.799 54.840 -0.024 0.000 0.748 449 L CB 0.002 42.070 42.059 0.016 0.000 0.891 449 L HN 0.111 nan 8.230 nan 0.000 0.431 450 N N -1.476 117.249 118.700 0.043 0.000 2.946 450 N HA 0.075 4.816 4.740 0.001 0.000 0.213 450 N C -2.132 173.406 175.510 0.046 0.000 1.440 450 N CA -0.888 52.183 53.050 0.034 0.000 0.745 450 N CB 0.813 39.316 38.487 0.026 0.000 1.471 450 N HN -0.189 nan 8.380 nan 0.000 0.569 451 P HA -0.139 nan 4.420 nan 0.000 0.217 451 P C 0.702 178.046 177.300 0.073 0.000 1.148 451 P CA 1.269 64.419 63.100 0.084 0.000 0.828 451 P CB 0.731 32.497 31.700 0.110 0.000 0.783 452 E N -0.390 119.835 120.200 0.041 0.000 2.076 452 E HA -0.097 4.253 4.350 0.001 0.000 0.190 452 E C 2.423 179.026 176.600 0.004 0.000 0.979 452 E CA 0.561 56.976 56.400 0.025 0.000 0.807 452 E CB -0.174 29.533 29.700 0.012 0.000 0.761 452 E HN 0.178 nan 8.360 nan 0.000 0.454 453 R N -0.053 120.438 120.500 -0.015 0.000 2.140 453 R HA 0.068 4.408 4.340 0.001 0.000 0.213 453 R C -0.128 176.125 176.300 -0.079 0.000 1.059 453 R CA 0.513 56.581 56.100 -0.053 0.000 1.000 453 R CB 0.407 30.665 30.300 -0.070 0.000 0.910 453 R HN 0.083 nan 8.270 nan 0.000 0.455 454 c N 0.937 119.501 118.600 -0.059 0.000 2.316 454 c HA 0.419 4.990 4.570 0.001 0.000 0.324 454 c C 0.010 174.101 174.090 0.001 0.000 1.226 454 c CA -0.682 55.563 56.329 -0.141 0.000 1.450 454 c CB 1.330 43.694 42.510 -0.244 0.000 2.123 454 c HN 0.519 nan 8.230 nan 0.000 0.454 455 Q N 0.349 120.145 119.800 -0.007 0.000 2.113 455 Q HA 0.201 4.541 4.340 0.001 0.000 0.225 455 Q C -0.924 175.160 176.000 0.141 0.000 0.786 455 Q CA 0.095 55.971 55.803 0.121 0.000 0.989 455 Q CB 1.264 30.078 28.738 0.126 0.000 1.174 455 Q HN 0.796 nan 8.270 nan 0.000 0.470 456 Y N 0.476 120.701 120.300 -0.125 0.000 2.373 456 Y HA 0.391 4.942 4.550 0.001 0.000 0.327 456 Y C -1.595 174.185 175.900 -0.201 0.000 1.036 456 Y CA -1.030 57.016 58.100 -0.090 0.000 1.265 456 Y CB 0.733 39.138 38.460 -0.091 0.000 1.108 456 Y HN -0.079 nan 8.280 nan 0.000 0.471 457 Y N 2.253 122.497 120.300 -0.093 0.000 2.509 457 Y HA 0.674 5.224 4.550 0.001 0.000 0.341 457 Y C 0.170 176.028 175.900 -0.071 0.000 1.038 457 Y CA -0.692 57.365 58.100 -0.071 0.000 1.089 457 Y CB 2.288 40.669 38.460 -0.133 0.000 1.241 457 Y HN 0.503 nan 8.280 nan 0.000 0.468 458 S N 0.784 116.585 115.700 0.168 0.000 2.599 458 S HA 0.859 5.330 4.470 0.001 0.000 0.287 458 S C -1.646 173.039 174.600 0.142 0.000 1.105 458 S CA -0.738 57.543 58.200 0.135 0.000 0.899 458 S CB 1.833 65.124 63.200 0.151 0.000 1.100 458 S HN 0.640 nan 8.310 nan 0.000 0.482 459 V N 0.346 120.347 119.914 0.144 0.000 3.130 459 V HA 0.897 5.018 4.120 0.001 0.000 0.310 459 V C -1.206 175.008 176.094 0.200 0.000 1.158 459 V CA -0.318 62.056 62.300 0.124 0.000 1.029 459 V CB 2.330 34.167 31.823 0.023 0.000 1.057 459 V HN 1.200 nan 8.190 nan 0.000 0.436 460 S N 3.775 119.594 115.700 0.198 0.000 2.775 460 S HA 0.650 5.120 4.470 0.001 0.000 0.277 460 S C -1.278 173.532 174.600 0.350 0.000 1.156 460 S CA -0.391 58.019 58.200 0.350 0.000 1.081 460 S CB 0.345 63.786 63.200 0.402 0.000 1.054 460 S HN 0.496 nan 8.310 nan 0.000 0.482 461 F N 3.051 123.072 119.950 0.118 0.000 2.371 461 F HA 0.466 4.993 4.527 0.001 0.000 0.329 461 F C 1.436 176.822 175.800 -0.690 0.000 1.107 461 F CA -0.293 57.611 58.000 -0.159 0.000 1.137 461 F CB 1.307 40.193 39.000 -0.191 0.000 1.214 461 F HN 0.616 nan 8.300 nan 0.000 0.536 462 S N 2.004 117.060 115.700 -1.073 0.000 2.617 462 S HA 0.164 4.634 4.470 0.001 0.000 0.259 462 S C 1.297 175.670 174.600 -0.377 0.000 1.301 462 S CA -0.778 56.558 58.200 -1.441 0.000 0.984 462 S CB 0.715 63.099 63.200 -1.359 0.000 0.954 462 S HN 0.577 nan 8.310 nan 0.000 0.572 463 K N 0.815 121.132 120.400 -0.140 0.000 2.071 463 K HA -0.160 4.161 4.320 0.001 0.000 0.217 463 K C 0.939 177.554 176.600 0.025 0.000 1.054 463 K CA 1.836 58.134 56.287 0.019 0.000 0.937 463 K CB -0.425 32.126 32.500 0.085 0.000 0.719 463 K HN 0.682 nan 8.250 nan 0.000 0.454 464 E N -1.051 119.159 120.200 0.017 0.000 2.569 464 E HA 0.222 4.573 4.350 0.001 0.000 0.205 464 E C 0.100 176.704 176.600 0.007 0.000 1.006 464 E CA 0.179 56.598 56.400 0.032 0.000 0.985 464 E CB 0.678 30.411 29.700 0.055 0.000 1.060 464 E HN 0.275 nan 8.360 nan 0.000 0.460 465 A N 1.223 124.033 122.820 -0.017 0.000 2.847 465 A HA -0.334 3.987 4.320 0.001 0.000 0.263 465 A C 1.553 179.148 177.584 0.018 0.000 1.391 465 A CA 1.739 53.797 52.037 0.035 0.000 0.866 465 A CB -2.072 16.854 19.000 -0.123 0.000 1.057 465 A HN 0.297 nan 8.150 nan 0.000 0.673 466 K N -1.750 118.603 120.400 -0.078 0.000 2.155 466 K HA 0.076 4.396 4.320 0.001 0.000 0.203 466 K C 0.209 176.472 176.600 -0.561 0.000 1.052 466 K CA 1.527 57.652 56.287 -0.271 0.000 0.948 466 K CB -0.033 32.316 32.500 -0.251 0.000 0.728 466 K HN 0.676 nan 8.250 nan 0.000 0.448 467 Y N -1.046 119.189 120.300 -0.110 0.000 2.576 467 Y HA 0.340 4.891 4.550 0.001 0.000 0.346 467 Y C -1.019 174.764 175.900 -0.195 0.000 1.018 467 Y CA -1.321 56.693 58.100 -0.143 0.000 1.050 467 Y CB 1.725 40.142 38.460 -0.072 0.000 1.280 467 Y HN -0.034 nan 8.280 nan 0.000 0.474 468 Y N -1.056 119.191 120.300 -0.087 0.000 2.513 468 Y HA 0.521 5.072 4.550 0.001 0.000 0.340 468 Y C -1.218 174.693 175.900 0.019 0.000 1.055 468 Y CA -1.449 56.440 58.100 -0.351 0.000 1.020 468 Y CB 1.468 39.143 38.460 -1.308 0.000 1.301 468 Y HN 0.588 nan 8.280 nan 0.000 0.453 469 Q N 3.898 123.856 119.800 0.263 0.000 2.290 469 Q HA 0.553 4.893 4.340 0.001 0.000 0.259 469 Q C -1.789 174.330 176.000 0.198 0.000 0.941 469 Q CA -0.698 55.231 55.803 0.209 0.000 0.912 469 Q CB 1.357 30.188 28.738 0.154 0.000 1.244 469 Q HN 0.976 nan 8.270 nan 0.000 0.441 470 L N 4.245 125.599 121.223 0.219 0.000 2.295 470 L HA 0.533 4.873 4.340 0.001 0.000 0.285 470 L C -0.092 176.862 176.870 0.140 0.000 1.035 470 L CA -0.512 54.444 54.840 0.193 0.000 0.806 470 L CB 1.485 43.653 42.059 0.181 0.000 1.214 470 L HN 0.583 nan 8.230 nan 0.000 0.426 471 R N 3.619 124.167 120.500 0.080 0.000 2.320 471 R HA 0.318 4.658 4.340 0.001 0.000 0.319 471 R C -0.996 175.139 176.300 -0.275 0.000 0.969 471 R CA -0.496 55.471 56.100 -0.221 0.000 0.857 471 R CB 1.232 31.464 30.300 -0.113 0.000 1.160 471 R HN 0.732 nan 8.270 nan 0.000 0.491 472 c N 4.031 122.341 118.600 -0.483 0.000 2.415 472 c HA 0.418 4.988 4.570 0.001 0.000 0.369 472 c C 1.327 175.158 174.090 -0.433 0.000 1.279 472 c CA -0.147 55.777 56.329 -0.675 0.000 1.886 472 c CB 0.477 42.547 42.510 -0.735 0.000 2.468 472 c HN 0.938 nan 8.230 nan 0.000 0.553 473 S N 3.687 119.226 115.700 -0.268 0.000 2.650 473 S HA 0.603 5.073 4.470 0.001 0.000 0.240 473 S C 0.334 174.876 174.600 -0.096 0.000 1.007 473 S CA 0.244 58.354 58.200 -0.150 0.000 0.984 473 S CB 0.005 63.156 63.200 -0.081 0.000 0.910 473 S HN 1.936 nan 8.310 nan 0.000 0.509 474 G N 1.764 110.495 108.800 -0.115 0.000 2.325 474 G HA2 0.403 4.364 3.960 0.001 0.000 0.297 474 G HA3 0.403 4.364 3.960 0.001 0.000 0.297 474 G C -3.044 171.831 174.900 -0.042 0.000 1.448 474 G CA -0.546 44.530 45.100 -0.041 0.000 0.838 474 G HN -0.129 nan 8.290 nan 0.000 0.579 475 P HA 0.127 nan 4.420 nan 0.000 0.236 475 P C 1.243 178.567 177.300 0.040 0.000 1.177 475 P CA 1.250 64.374 63.100 0.039 0.000 0.773 475 P CB 0.479 32.200 31.700 0.035 0.000 0.878 476 G N 0.404 109.163 108.800 -0.069 0.000 2.510 476 G HA2 0.424 4.385 3.960 0.001 0.000 0.280 476 G HA3 0.424 4.385 3.960 0.001 0.000 0.280 476 G C -0.296 174.383 174.900 -0.368 0.000 1.386 476 G CA -0.763 44.226 45.100 -0.185 0.000 1.047 476 G HN 0.035 nan 8.290 nan 0.000 0.527 477 L N 1.153 122.084 121.223 -0.486 0.000 2.456 477 L HA 0.173 4.513 4.340 0.001 0.000 0.272 477 L C -1.899 174.803 176.870 -0.280 0.000 1.189 477 L CA -1.299 53.219 54.840 -0.538 0.000 0.846 477 L CB 0.676 42.483 42.059 -0.420 0.000 1.111 477 L HN 0.229 nan 8.230 nan 0.000 0.475 478 P HA -0.021 nan 4.420 nan 0.000 0.263 478 P C -0.933 176.276 177.300 -0.151 0.000 1.175 478 P CA 0.112 63.110 63.100 -0.169 0.000 0.761 478 P CB 0.481 32.166 31.700 -0.025 0.000 0.794 479 L N 5.485 126.534 121.223 -0.290 0.000 2.406 479 L HA 0.483 4.824 4.340 0.001 0.000 0.272 479 L C -1.744 174.964 176.870 -0.270 0.000 0.980 479 L CA -0.751 53.988 54.840 -0.169 0.000 0.831 479 L CB 0.887 42.864 42.059 -0.137 0.000 1.253 479 L HN 0.219 nan 8.230 nan 0.000 0.406 480 Y N 2.627 122.879 120.300 -0.080 0.000 2.352 480 Y HA 0.775 5.326 4.550 0.001 0.000 0.339 480 Y C 0.490 176.294 175.900 -0.161 0.000 0.992 480 Y CA -0.501 57.539 58.100 -0.099 0.000 1.100 480 Y CB 2.160 40.538 38.460 -0.136 0.000 1.192 480 Y HN 0.682 nan 8.280 nan 0.000 0.458 481 T N 0.778 115.350 114.554 0.031 0.000 2.903 481 T HA 0.692 5.043 4.350 0.001 0.000 0.299 481 T C -1.573 173.073 174.700 -0.089 0.000 1.093 481 T CA -0.869 61.190 62.100 -0.068 0.000 1.002 481 T CB 1.972 70.860 68.868 0.034 0.000 1.127 481 T HN 0.397 nan 8.240 nan 0.000 0.488 482 L N 1.848 122.892 121.223 -0.298 0.000 2.329 482 L HA 0.631 4.972 4.340 0.001 0.000 0.279 482 L C -0.789 175.747 176.870 -0.555 0.000 1.014 482 L CA -0.302 54.394 54.840 -0.239 0.000 0.814 482 L CB 1.171 43.130 42.059 -0.166 0.000 1.257 482 L HN 0.826 nan 8.230 nan 0.000 0.424 483 H N 1.475 120.321 119.070 -0.373 0.000 2.928 483 H HA 0.565 5.121 4.556 0.001 0.000 0.371 483 H C -0.977 174.067 175.328 -0.472 0.000 1.186 483 H CA -0.812 54.884 56.048 -0.586 0.000 1.134 483 H CB 2.160 31.174 29.762 -1.247 0.000 1.824 483 H HN 0.582 nan 8.280 nan 0.000 0.554 484 S N 0.374 115.953 115.700 -0.202 0.000 2.454 484 S HA 0.228 4.698 4.470 0.001 0.000 0.306 484 S C 0.606 175.122 174.600 -0.140 0.000 1.100 484 S CA -0.697 57.387 58.200 -0.192 0.000 1.087 484 S CB 1.842 64.972 63.200 -0.116 0.000 1.019 484 S HN 0.558 nan 8.310 nan 0.000 0.480 485 S N 2.299 117.946 115.700 -0.089 0.000 2.406 485 S HA -0.096 4.374 4.470 0.001 0.000 0.228 485 S C 1.898 176.531 174.600 0.056 0.000 1.020 485 S CA 0.877 59.150 58.200 0.122 0.000 0.965 485 S CB -0.454 62.832 63.200 0.144 0.000 0.798 485 S HN 0.683 nan 8.310 nan 0.000 0.488 486 V N 2.746 122.643 119.914 -0.028 0.000 2.282 486 V HA -0.175 3.946 4.120 0.001 0.000 0.249 486 V C 0.818 176.920 176.094 0.014 0.000 1.057 486 V CA 1.819 64.119 62.300 -0.000 0.000 1.032 486 V CB -0.265 31.541 31.823 -0.028 0.000 0.645 486 V HN 0.496 nan 8.190 nan 0.000 0.447 487 N N -0.740 117.961 118.700 0.002 0.000 2.299 487 N HA 0.130 4.871 4.740 0.001 0.000 0.246 487 N C -0.410 175.106 175.510 0.010 0.000 1.254 487 N CA 0.340 53.393 53.050 0.005 0.000 0.879 487 N CB 0.504 38.992 38.487 0.003 0.000 1.214 487 N HN 0.449 nan 8.380 nan 0.000 0.510 488 D N 1.226 121.647 120.400 0.035 0.000 2.686 488 D HA -0.174 4.467 4.640 0.001 0.000 0.235 488 D C -0.140 176.186 176.300 0.043 0.000 1.160 488 D CA 1.145 55.189 54.000 0.074 0.000 0.645 488 D CB -0.801 40.039 40.800 0.067 0.000 1.039 488 D HN 0.386 nan 8.370 nan 0.000 0.423 489 K N -0.020 120.381 120.400 0.002 0.000 2.237 489 K HA 0.390 4.711 4.320 0.001 0.000 0.270 489 K C 1.079 177.651 176.600 -0.045 0.000 1.015 489 K CA -0.076 56.202 56.287 -0.016 0.000 0.949 489 K CB 1.013 33.494 32.500 -0.032 0.000 0.976 489 K HN 0.135 nan 8.250 nan 0.000 0.472 490 G N 3.124 111.880 108.800 -0.074 0.000 2.571 490 G HA2 0.202 4.163 3.960 0.001 0.000 0.327 490 G HA3 0.202 4.163 3.960 0.001 0.000 0.327 490 G C 0.840 175.588 174.900 -0.253 0.000 1.008 490 G CA -0.419 44.524 45.100 -0.262 0.000 1.136 490 G HN 0.545 nan 8.290 nan 0.000 0.444 491 L N 1.461 122.509 121.223 -0.292 0.000 1.976 491 L HA 0.123 4.464 4.340 0.001 0.000 0.209 491 L C 1.756 178.523 176.870 -0.171 0.000 1.071 491 L CA 1.240 55.974 54.840 -0.177 0.000 0.746 491 L CB -0.357 41.620 42.059 -0.135 0.000 0.890 491 L HN 0.675 nan 8.230 nan 0.000 0.432 492 R N -2.136 118.225 120.500 -0.232 0.000 2.741 492 R HA 0.442 4.783 4.340 0.001 0.000 0.276 492 R C -1.621 174.547 176.300 -0.219 0.000 1.028 492 R CA -0.923 55.066 56.100 -0.185 0.000 0.865 492 R CB 1.424 31.646 30.300 -0.130 0.000 1.268 492 R HN -0.255 nan 8.270 nan 0.000 0.475 493 V N 2.793 122.604 119.914 -0.172 0.000 2.406 493 V HA 0.179 4.300 4.120 0.001 0.000 0.272 493 V C 1.381 177.328 176.094 -0.244 0.000 1.043 493 V CA -0.389 61.807 62.300 -0.172 0.000 0.915 493 V CB 1.097 32.855 31.823 -0.109 0.000 0.988 493 V HN 0.626 nan 8.190 nan 0.000 0.466 494 L N 2.636 123.637 121.223 -0.370 0.000 2.202 494 L HA 0.265 4.606 4.340 0.001 0.000 0.205 494 L C 0.741 177.293 176.870 -0.530 0.000 1.083 494 L CA 0.764 55.167 54.840 -0.727 0.000 0.790 494 L CB 0.177 41.434 42.059 -1.337 0.000 0.942 494 L HN 0.692 nan 8.230 nan 0.000 0.452 495 E N -0.072 119.981 120.200 -0.245 0.000 2.406 495 E HA 0.087 4.438 4.350 0.001 0.000 0.297 495 E C -1.249 175.389 176.600 0.064 0.000 0.917 495 E CA -0.379 55.992 56.400 -0.048 0.000 0.795 495 E CB 1.079 30.768 29.700 -0.018 0.000 1.285 495 E HN 0.161 nan 8.360 nan 0.000 0.400 496 D N 3.061 123.478 120.400 0.029 0.000 2.469 496 D HA 0.158 4.799 4.640 0.001 0.000 0.215 496 D C -0.229 176.078 176.300 0.012 0.000 1.154 496 D CA -0.251 53.759 54.000 0.016 0.000 0.832 496 D CB -0.036 40.753 40.800 -0.018 0.000 1.008 496 D HN 0.447 nan 8.370 nan 0.000 0.506 497 N N 0.427 119.151 118.700 0.041 0.000 2.693 497 N HA -0.235 4.506 4.740 0.001 0.000 0.249 497 N C 1.003 176.515 175.510 0.003 0.000 1.119 497 N CA 0.981 54.049 53.050 0.030 0.000 0.717 497 N CB -1.339 37.156 38.487 0.013 0.000 1.071 497 N HN 0.506 nan 8.380 nan 0.000 0.555 498 S N -1.194 114.508 115.700 0.003 0.000 2.419 498 S HA -0.052 4.419 4.470 0.001 0.000 0.233 498 S C 2.080 176.689 174.600 0.013 0.000 1.016 498 S CA 0.997 59.196 58.200 -0.002 0.000 0.974 498 S CB -0.116 63.083 63.200 -0.002 0.000 0.786 498 S HN 0.507 nan 8.310 nan 0.000 0.492 499 A N 1.945 124.783 122.820 0.030 0.000 1.877 499 A HA 0.084 4.404 4.320 0.001 0.000 0.216 499 A C 2.214 179.834 177.584 0.060 0.000 1.186 499 A CA 1.535 53.599 52.037 0.046 0.000 0.620 499 A CB -0.887 18.146 19.000 0.055 0.000 0.822 499 A HN 0.511 nan 8.150 nan 0.000 0.443 500 L N 0.477 121.737 121.223 0.062 0.000 2.083 500 L HA -0.151 4.190 4.340 0.001 0.000 0.209 500 L C 1.925 178.816 176.870 0.036 0.000 1.083 500 L CA 2.759 57.648 54.840 0.083 0.000 0.752 500 L CB -0.764 41.341 42.059 0.078 0.000 0.899 500 L HN 0.535 nan 8.230 nan 0.000 0.433 501 D N -0.686 119.708 120.400 -0.009 0.000 2.123 501 D HA -0.285 4.356 4.640 0.001 0.000 0.196 501 D C 2.261 178.557 176.300 -0.008 0.000 0.992 501 D CA 1.600 55.577 54.000 -0.038 0.000 0.833 501 D CB -0.097 40.672 40.800 -0.051 0.000 0.954 501 D HN 0.357 nan 8.370 nan 0.000 0.455 502 K N -0.595 119.815 120.400 0.017 0.000 2.057 502 K HA -0.126 4.195 4.320 0.001 0.000 0.207 502 K C 2.172 178.802 176.600 0.051 0.000 1.049 502 K CA 1.049 57.354 56.287 0.030 0.000 0.931 502 K CB -0.081 32.441 32.500 0.037 0.000 0.714 502 K HN 0.233 nan 8.250 nan 0.000 0.440 503 M N 0.595 120.246 119.600 0.084 0.000 2.175 503 M HA -0.112 4.369 4.480 0.001 0.000 0.264 503 M C 1.965 178.305 176.300 0.067 0.000 1.063 503 M CA 1.249 56.635 55.300 0.143 0.000 1.119 503 M CB -0.050 32.721 32.600 0.285 0.000 1.377 503 M HN 0.148 nan 8.290 nan 0.000 0.415 504 L N 0.357 121.566 121.223 -0.023 0.000 2.362 504 L HA -0.194 4.147 4.340 0.001 0.000 0.219 504 L C 2.561 179.396 176.870 -0.058 0.000 1.134 504 L CA 0.894 55.661 54.840 -0.123 0.000 0.807 504 L CB -0.718 41.270 42.059 -0.119 0.000 0.927 504 L HN 0.484 nan 8.230 nan 0.000 0.447 505 Q N -0.957 118.834 119.800 -0.016 0.000 2.364 505 Q HA -0.141 4.200 4.340 0.001 0.000 0.207 505 Q C 1.132 177.142 176.000 0.018 0.000 0.970 505 Q CA 0.993 56.795 55.803 -0.002 0.000 0.888 505 Q CB -0.226 28.516 28.738 0.006 0.000 0.951 505 Q HN 0.402 nan 8.270 nan 0.000 0.469 506 N N 0.805 119.525 118.700 0.032 0.000 2.268 506 N HA 0.115 4.856 4.740 0.001 0.000 0.204 506 N C -0.982 174.566 175.510 0.064 0.000 1.124 506 N CA 0.102 53.186 53.050 0.057 0.000 0.838 506 N CB 1.458 39.995 38.487 0.082 0.000 0.994 506 N HN 0.141 nan 8.380 nan 0.000 0.489 507 V N 0.749 120.678 119.914 0.025 0.000 2.735 507 V HA 0.283 4.404 4.120 0.001 0.000 0.310 507 V C -0.848 175.256 176.094 0.016 0.000 1.061 507 V CA -0.752 61.568 62.300 0.033 0.000 0.913 507 V CB 2.199 34.009 31.823 -0.021 0.000 1.005 507 V HN -0.000 nan 8.190 nan 0.000 0.428 508 Q N 6.409 126.233 119.800 0.041 0.000 2.513 508 Q HA 0.321 4.662 4.340 0.001 0.000 0.227 508 Q C -0.426 175.554 176.000 -0.034 0.000 1.257 508 Q CA -0.112 55.687 55.803 -0.006 0.000 0.915 508 Q CB 0.497 29.253 28.738 0.030 0.000 1.507 508 Q HN 0.593 nan 8.270 nan 0.000 0.543 509 M N 3.794 123.355 119.600 -0.065 0.000 2.250 509 M HA 0.343 4.824 4.480 0.001 0.000 0.344 509 M C -1.951 174.281 176.300 -0.114 0.000 1.150 509 M CA -2.418 52.833 55.300 -0.081 0.000 1.147 509 M CB 0.131 32.686 32.600 -0.075 0.000 1.498 509 M HN 0.305 nan 8.290 nan 0.000 0.461 510 P HA 0.221 nan 4.420 nan 0.000 0.276 510 P C -0.742 176.472 177.300 -0.143 0.000 1.252 510 P CA -0.323 62.687 63.100 -0.149 0.000 0.802 510 P CB 0.639 32.240 31.700 -0.165 0.000 1.035 511 S N -0.314 115.287 115.700 -0.165 0.000 2.718 511 S HA 0.592 5.063 4.470 0.001 0.000 0.300 511 S C -0.485 174.014 174.600 -0.169 0.000 1.117 511 S CA -0.776 57.338 58.200 -0.143 0.000 1.002 511 S CB 1.678 64.791 63.200 -0.145 0.000 1.092 511 S HN 0.514 nan 8.310 nan 0.000 0.542 512 K N 0.514 120.836 120.400 -0.129 0.000 2.426 512 K HA 0.388 4.709 4.320 0.001 0.000 0.254 512 K C -1.330 175.201 176.600 -0.115 0.000 0.936 512 K CA -0.515 55.697 56.287 -0.125 0.000 0.801 512 K CB 1.357 33.806 32.500 -0.084 0.000 1.139 512 K HN 0.715 nan 8.250 nan 0.000 0.424 513 K N 5.175 125.491 120.400 -0.140 0.000 2.235 513 K HA 0.317 4.638 4.320 0.001 0.000 0.266 513 K C -1.562 174.979 176.600 -0.100 0.000 0.980 513 K CA -0.799 55.411 56.287 -0.128 0.000 0.849 513 K CB 0.993 33.383 32.500 -0.183 0.000 1.098 513 K HN 0.463 nan 8.250 nan 0.000 0.445 514 L N 3.966 125.152 121.223 -0.062 0.000 2.325 514 L HA 0.526 4.867 4.340 0.001 0.000 0.281 514 L C -1.160 175.701 176.870 -0.015 0.000 1.004 514 L CA 0.160 54.996 54.840 -0.006 0.000 0.823 514 L CB 1.537 43.658 42.059 0.104 0.000 1.236 514 L HN 0.857 nan 8.230 nan 0.000 0.415 515 D N 2.651 122.909 120.400 -0.236 0.000 2.970 515 D HA 0.539 5.180 4.640 0.001 0.000 0.344 515 D C -1.667 174.308 176.300 -0.541 0.000 1.365 515 D CA 0.012 53.773 54.000 -0.398 0.000 0.910 515 D CB 1.277 41.775 40.800 -0.504 0.000 1.445 515 D HN 0.255 nan 8.370 nan 0.000 0.532 516 F N -0.241 119.401 119.950 -0.512 0.000 2.645 516 F HA 0.712 5.240 4.527 0.001 0.000 0.310 516 F C -0.952 174.940 175.800 0.154 0.000 1.102 516 F CA -1.120 56.701 58.000 -0.297 0.000 0.952 516 F CB 1.013 39.377 39.000 -1.059 0.000 1.326 516 F HN 0.331 nan 8.300 nan 0.000 0.456 517 I N 0.384 121.307 120.570 0.588 0.000 2.846 517 I HA 0.707 4.878 4.170 0.001 0.000 0.307 517 I C -1.316 175.077 176.117 0.460 0.000 1.053 517 I CA -1.206 60.350 61.300 0.426 0.000 1.050 517 I CB 2.380 40.553 38.000 0.287 0.000 1.239 517 I HN 0.666 nan 8.210 nan 0.000 0.439 518 I N 4.374 125.138 120.570 0.323 0.000 2.437 518 I HA 0.459 4.629 4.170 0.001 0.000 0.298 518 I C -0.704 175.565 176.117 0.254 0.000 0.984 518 I CA -0.705 60.760 61.300 0.274 0.000 1.214 518 I CB 1.865 39.980 38.000 0.190 0.000 1.365 518 I HN 0.393 nan 8.210 nan 0.000 0.469 519 L N 5.655 127.073 121.223 0.326 0.000 2.441 519 L HA 0.356 4.696 4.340 0.001 0.000 0.270 519 L C -0.511 176.496 176.870 0.228 0.000 0.973 519 L CA -0.698 54.297 54.840 0.258 0.000 0.842 519 L CB 1.531 43.755 42.059 0.274 0.000 1.239 519 L HN 0.630 nan 8.230 nan 0.000 0.406 520 N N 2.852 121.623 118.700 0.118 0.000 2.667 520 N HA -0.218 4.523 4.740 0.001 0.000 0.263 520 N C 0.393 175.949 175.510 0.076 0.000 1.038 520 N CA 1.341 54.439 53.050 0.079 0.000 0.749 520 N CB -0.571 37.954 38.487 0.062 0.000 0.892 520 N HN 0.840 nan 8.380 nan 0.000 0.546 521 E N -3.358 116.879 120.200 0.063 0.000 3.426 521 E HA -0.288 4.063 4.350 0.001 0.000 0.291 521 E C -0.434 176.171 176.600 0.008 0.000 0.898 521 E CA 1.621 58.041 56.400 0.034 0.000 0.970 521 E CB -1.256 28.454 29.700 0.017 0.000 1.489 521 E HN 0.572 nan 8.360 nan 0.000 0.461 522 T N 0.609 115.182 114.554 0.032 0.000 2.855 522 T HA 0.395 4.745 4.350 0.001 0.000 0.281 522 T C -0.143 174.441 174.700 -0.193 0.000 1.007 522 T CA -0.934 61.099 62.100 -0.113 0.000 1.009 522 T CB 1.479 70.263 68.868 -0.140 0.000 0.983 522 T HN 0.198 nan 8.240 nan 0.000 0.455 523 K N 2.255 122.426 120.400 -0.382 0.000 2.156 523 K HA 0.579 4.900 4.320 0.001 0.000 0.271 523 K C -1.538 174.748 176.600 -0.524 0.000 0.995 523 K CA -0.542 55.536 56.287 -0.349 0.000 0.890 523 K CB 0.805 32.937 32.500 -0.613 0.000 1.073 523 K HN 0.397 nan 8.250 nan 0.000 0.454 524 F N 2.040 122.065 119.950 0.125 0.000 2.529 524 F HA 0.371 4.899 4.527 0.001 0.000 0.320 524 F C -0.802 175.161 175.800 0.272 0.000 1.118 524 F CA -0.747 57.357 58.000 0.173 0.000 0.915 524 F CB 1.158 40.255 39.000 0.161 0.000 1.161 524 F HN 0.534 nan 8.300 nan 0.000 0.445 525 W N 3.382 124.861 121.300 0.299 0.000 2.303 525 W HA 0.534 5.195 4.660 0.001 0.000 0.334 525 W C -0.611 176.166 176.519 0.431 0.000 1.197 525 W CA -0.637 56.916 57.345 0.346 0.000 1.262 525 W CB 0.584 30.159 29.460 0.191 0.000 1.153 525 W HN 0.451 nan 8.180 nan 0.000 0.596 526 Y N -0.626 120.051 120.300 0.628 0.000 2.625 526 Y HA 0.671 5.221 4.550 0.001 0.000 0.338 526 Y C -0.988 175.143 175.900 0.384 0.000 1.123 526 Y CA -1.855 56.591 58.100 0.577 0.000 1.046 526 Y CB 1.089 40.036 38.460 0.811 0.000 1.299 526 Y HN 0.571 nan 8.280 nan 0.000 0.464 527 Q N 1.931 121.965 119.800 0.390 0.000 2.451 527 Q HA 0.770 5.111 4.340 0.001 0.000 0.281 527 Q C -1.731 174.381 176.000 0.187 0.000 1.099 527 Q CA -1.226 54.673 55.803 0.161 0.000 0.806 527 Q CB 3.420 32.228 28.738 0.116 0.000 1.419 527 Q HN 0.844 nan 8.270 nan 0.000 0.427 528 M N 2.199 121.821 119.600 0.036 0.000 2.267 528 M HA 0.410 4.891 4.480 0.001 0.000 0.289 528 M C -1.378 174.834 176.300 -0.147 0.000 1.043 528 M CA -0.883 54.379 55.300 -0.064 0.000 0.928 528 M CB 2.164 34.681 32.600 -0.139 0.000 1.613 528 M HN 0.611 nan 8.290 nan 0.000 0.450 529 I N 5.208 125.694 120.570 -0.141 0.000 2.301 529 I HA 0.331 4.501 4.170 0.001 0.000 0.292 529 I C -0.348 175.611 176.117 -0.264 0.000 1.046 529 I CA -0.205 60.988 61.300 -0.179 0.000 1.282 529 I CB 0.240 38.157 38.000 -0.139 0.000 1.409 529 I HN 0.628 nan 8.210 nan 0.000 0.484 530 L N 8.486 129.500 121.223 -0.348 0.000 2.309 530 L HA 0.444 4.785 4.340 0.001 0.000 0.282 530 L C -2.183 174.493 176.870 -0.324 0.000 1.036 530 L CA -1.838 52.701 54.840 -0.501 0.000 0.806 530 L CB 1.269 42.834 42.059 -0.823 0.000 1.220 530 L HN 0.259 nan 8.230 nan 0.000 0.429 531 P HA 0.061 nan 4.420 nan 0.000 0.268 531 P C -2.457 174.798 177.300 -0.076 0.000 1.208 531 P CA -0.743 62.291 63.100 -0.110 0.000 0.777 531 P CB -0.110 31.587 31.700 -0.006 0.000 0.875 532 P HA -0.035 nan 4.420 nan 0.000 0.268 532 P C -0.265 176.951 177.300 -0.140 0.000 1.208 532 P CA 0.684 63.639 63.100 -0.242 0.000 0.777 532 P CB -0.123 31.375 31.700 -0.336 0.000 0.875 533 H N -1.388 117.721 119.070 0.064 0.000 2.741 533 H HA -0.211 4.346 4.556 0.001 0.000 0.305 533 H C 0.153 175.547 175.328 0.111 0.000 1.169 533 H CA -0.045 56.047 56.048 0.072 0.000 1.144 533 H CB -2.319 27.479 29.762 0.059 0.000 1.397 533 H HN 0.381 nan 8.280 nan 0.000 0.409 534 F N 2.439 122.382 119.950 -0.011 0.000 2.623 534 F HA 0.064 4.592 4.527 0.001 0.000 0.386 534 F C 0.658 176.474 175.800 0.028 0.000 1.068 534 F CA 0.285 58.232 58.000 -0.088 0.000 1.265 534 F CB 0.496 39.330 39.000 -0.277 0.000 1.026 534 F HN 0.174 nan 8.300 nan 0.000 0.568 535 D N 6.355 126.441 120.400 -0.523 0.000 2.440 535 D HA 0.116 4.756 4.640 0.001 0.000 0.252 535 D C 0.549 176.504 176.300 -0.574 0.000 1.180 535 D CA -0.506 53.266 54.000 -0.380 0.000 0.894 535 D CB 0.941 41.677 40.800 -0.106 0.000 1.111 535 D HN 0.687 nan 8.370 nan 0.000 0.544 536 K N 0.862 120.894 120.400 -0.613 0.000 2.520 536 K HA -0.120 4.201 4.320 0.001 0.000 0.197 536 K C 1.121 177.711 176.600 -0.017 0.000 1.043 536 K CA 0.887 57.014 56.287 -0.268 0.000 0.944 536 K CB -0.151 32.348 32.500 -0.003 0.000 0.770 536 K HN 0.202 nan 8.250 nan 0.000 0.480 537 S N 0.002 115.658 115.700 -0.073 0.000 2.575 537 S HA 0.091 4.562 4.470 0.001 0.000 0.215 537 S C 0.279 174.845 174.600 -0.056 0.000 0.966 537 S CA -0.496 57.683 58.200 -0.036 0.000 0.911 537 S CB 0.040 63.213 63.200 -0.045 0.000 0.780 537 S HN 0.214 nan 8.310 nan 0.000 0.514 538 K N 0.971 121.318 120.400 -0.088 0.000 2.185 538 K HA 0.476 4.797 4.320 0.001 0.000 0.240 538 K C -0.743 175.771 176.600 -0.142 0.000 0.983 538 K CA -0.963 55.209 56.287 -0.191 0.000 0.873 538 K CB 0.723 32.987 32.500 -0.394 0.000 1.118 538 K HN -0.078 nan 8.250 nan 0.000 0.441 539 K N 2.191 122.457 120.400 -0.224 0.000 2.263 539 K HA 0.276 4.597 4.320 0.001 0.000 0.272 539 K C -0.987 175.484 176.600 -0.214 0.000 1.033 539 K CA -0.293 55.929 56.287 -0.109 0.000 0.884 539 K CB 0.576 33.016 32.500 -0.100 0.000 1.107 539 K HN 0.473 nan 8.250 nan 0.000 0.460 540 Y N 3.292 123.617 120.300 0.042 0.000 2.387 540 Y HA 0.282 4.833 4.550 0.001 0.000 0.336 540 Y C -1.724 174.114 175.900 -0.103 0.000 1.067 540 Y CA -2.193 55.912 58.100 0.008 0.000 1.114 540 Y CB 1.285 39.826 38.460 0.136 0.000 1.208 540 Y HN 0.444 nan 8.280 nan 0.000 0.458 541 P HA 0.179 nan 4.420 nan 0.000 0.274 541 P C -1.144 175.994 177.300 -0.270 0.000 1.237 541 P CA -0.235 62.562 63.100 -0.505 0.000 0.793 541 P CB 1.720 32.720 31.700 -1.166 0.000 0.977 542 L N 2.260 123.367 121.223 -0.194 0.000 2.410 542 L HA 0.541 4.881 4.340 0.001 0.000 0.270 542 L C -1.372 175.687 176.870 0.315 0.000 0.983 542 L CA -1.151 53.738 54.840 0.081 0.000 0.822 542 L CB 1.890 44.007 42.059 0.096 0.000 1.285 542 L HN 0.153 nan 8.230 nan 0.000 0.409 543 L N 5.265 126.694 121.223 0.343 0.000 2.298 543 L HA 0.513 4.854 4.340 0.001 0.000 0.284 543 L C -1.263 175.843 176.870 0.392 0.000 1.013 543 L CA -0.321 54.774 54.840 0.426 0.000 0.824 543 L CB 1.564 43.833 42.059 0.349 0.000 1.221 543 L HN 0.646 nan 8.230 nan 0.000 0.418 544 L N 5.085 126.582 121.223 0.456 0.000 2.278 544 L HA 0.387 4.728 4.340 0.001 0.000 0.287 544 L C -0.520 176.582 176.870 0.388 0.000 1.072 544 L CA 0.234 55.328 54.840 0.423 0.000 0.819 544 L CB 0.539 42.887 42.059 0.480 0.000 1.176 544 L HN 0.630 nan 8.230 nan 0.000 0.435 545 D N 4.418 125.018 120.400 0.332 0.000 2.347 545 D HA 0.263 4.904 4.640 0.001 0.000 0.235 545 D C -1.025 175.346 176.300 0.118 0.000 1.149 545 D CA 0.070 54.178 54.000 0.180 0.000 0.850 545 D CB 1.285 42.252 40.800 0.280 0.000 1.061 545 D HN 0.331 nan 8.370 nan 0.000 0.487 546 V N 5.542 125.463 119.914 0.011 0.000 2.735 546 V HA 0.450 4.571 4.120 0.001 0.000 0.310 546 V C -0.996 175.192 176.094 0.157 0.000 1.061 546 V CA -0.453 61.919 62.300 0.121 0.000 0.913 546 V CB 1.814 33.717 31.823 0.132 0.000 1.005 546 V HN 0.682 nan 8.190 nan 0.000 0.428 547 Y N 5.150 125.519 120.300 0.116 0.000 3.059 547 Y HA 0.550 5.101 4.550 0.001 0.000 0.212 547 Y C 1.600 177.644 175.900 0.240 0.000 0.947 547 Y CA 0.963 59.160 58.100 0.163 0.000 1.571 547 Y CB 0.376 38.911 38.460 0.125 0.000 1.432 547 Y HN 1.016 nan 8.280 nan 0.000 0.450 548 A N 1.046 123.963 122.820 0.162 0.000 2.847 548 A HA -0.175 4.146 4.320 0.001 0.000 0.263 548 A C 0.816 178.206 177.584 -0.323 0.000 1.391 548 A CA 0.826 52.888 52.037 0.042 0.000 0.866 548 A CB -2.496 16.595 19.000 0.152 0.000 1.057 548 A HN 0.906 nan 8.150 nan 0.000 0.673 549 G N -0.422 107.912 108.800 -0.777 0.000 2.667 549 G HA2 0.477 4.438 3.960 0.001 0.000 0.250 549 G HA3 0.477 4.438 3.960 0.001 0.000 0.250 549 G C -1.813 172.728 174.900 -0.598 0.000 1.212 549 G CA -0.524 43.726 45.100 -1.417 0.000 0.874 549 G HN 0.422 nan 8.290 nan 0.000 0.561 550 P HA 0.043 nan 4.420 nan 0.000 0.267 550 P C 0.566 177.709 177.300 -0.262 0.000 1.205 550 P CA 0.165 62.970 63.100 -0.492 0.000 0.765 550 P CB 0.807 31.858 31.700 -1.082 0.000 0.828 551 C N 2.364 121.575 119.300 -0.148 0.000 4.454 551 C HA -0.126 4.335 4.460 0.001 0.000 0.298 551 C C 0.875 175.882 174.990 0.028 0.000 1.384 551 C CA 1.112 60.013 59.018 -0.196 0.000 2.002 551 C CB -2.670 24.796 27.740 -0.457 0.000 1.249 551 C HN 0.823 nan 8.230 nan 0.000 0.783 552 S N -0.130 115.649 115.700 0.131 0.000 2.747 552 S HA 0.775 5.245 4.470 0.001 0.000 0.300 552 S C -0.817 173.957 174.600 0.289 0.000 1.121 552 S CA -0.141 58.245 58.200 0.311 0.000 0.995 552 S CB 1.905 65.372 63.200 0.446 0.000 1.113 552 S HN 0.871 nan 8.310 nan 0.000 0.547 553 Q N -0.320 119.681 119.800 0.335 0.000 2.280 553 Q HA 0.401 4.742 4.340 0.001 0.000 0.259 553 Q C -1.039 175.098 176.000 0.228 0.000 0.964 553 Q CA -0.614 55.369 55.803 0.300 0.000 0.844 553 Q CB 1.312 30.291 28.738 0.402 0.000 1.334 553 Q HN 0.680 nan 8.270 nan 0.000 0.423 554 K N 1.071 121.598 120.400 0.211 0.000 2.402 554 K HA 0.356 4.676 4.320 0.001 0.000 0.203 554 K C -0.569 176.137 176.600 0.177 0.000 1.077 554 K CA 0.324 56.723 56.287 0.186 0.000 1.051 554 K CB 1.715 34.349 32.500 0.223 0.000 0.907 554 K HN 0.520 nan 8.250 nan 0.000 0.554 555 A N 2.731 125.667 122.820 0.193 0.000 2.277 555 A HA 0.466 4.786 4.320 0.001 0.000 0.318 555 A C -0.813 176.846 177.584 0.125 0.000 1.339 555 A CA -0.456 51.698 52.037 0.196 0.000 0.875 555 A CB 0.167 19.346 19.000 0.299 0.000 1.158 555 A HN 0.245 nan 8.150 nan 0.000 0.514 556 D N -0.133 120.311 120.400 0.074 0.000 2.759 556 D HA 0.402 5.043 4.640 0.001 0.000 0.321 556 D C 0.345 176.652 176.300 0.010 0.000 1.267 556 D CA 0.272 54.299 54.000 0.044 0.000 0.933 556 D CB 0.306 41.126 40.800 0.035 0.000 1.431 556 D HN 0.175 nan 8.370 nan 0.000 0.504 557 T N -2.222 112.353 114.554 0.034 0.000 3.206 557 T HA 0.324 4.675 4.350 0.001 0.000 0.253 557 T C 0.391 175.050 174.700 -0.069 0.000 1.042 557 T CA -0.374 61.740 62.100 0.023 0.000 0.931 557 T CB -0.700 68.229 68.868 0.102 0.000 1.029 557 T HN 0.276 nan 8.240 nan 0.000 0.564 558 V N 2.522 122.294 119.914 -0.238 0.000 2.614 558 V HA 0.341 4.462 4.120 0.001 0.000 0.291 558 V C 0.067 176.092 176.094 -0.114 0.000 1.049 558 V CA -1.006 61.113 62.300 -0.300 0.000 1.038 558 V CB 0.159 31.676 31.823 -0.510 0.000 0.980 558 V HN 0.565 nan 8.190 nan 0.000 0.481 559 F N 6.427 126.276 119.950 -0.169 0.000 2.420 559 F HA 0.589 5.117 4.527 0.001 0.000 0.352 559 F C 0.478 176.217 175.800 -0.101 0.000 1.108 559 F CA -0.210 57.717 58.000 -0.121 0.000 1.162 559 F CB 0.297 39.233 39.000 -0.105 0.000 1.118 559 F HN 0.443 nan 8.300 nan 0.000 0.510 560 R N 6.572 126.559 120.500 -0.854 0.000 2.725 560 R HA 0.568 4.909 4.340 0.001 0.000 0.277 560 R C -1.714 174.168 176.300 -0.696 0.000 0.987 560 R CA -1.125 54.641 56.100 -0.557 0.000 0.901 560 R CB 2.195 32.332 30.300 -0.273 0.000 1.207 560 R HN 0.654 nan 8.270 nan 0.000 0.463 561 L N 3.721 124.736 121.223 -0.348 0.000 2.318 561 L HA 0.421 4.762 4.340 0.001 0.000 0.277 561 L C -0.708 176.149 176.870 -0.021 0.000 1.008 561 L CA -0.656 54.030 54.840 -0.257 0.000 0.846 561 L CB 0.773 42.828 42.059 -0.006 0.000 1.220 561 L HN 0.789 nan 8.230 nan 0.000 0.423 562 N N 0.394 119.004 118.700 -0.149 0.000 3.506 562 N HA 0.162 4.903 4.740 0.001 0.000 0.331 562 N C 0.174 175.332 175.510 -0.586 0.000 1.631 562 N CA -0.866 51.989 53.050 -0.325 0.000 0.786 562 N CB 0.150 38.561 38.487 -0.127 0.000 2.023 562 N HN 0.305 nan 8.380 nan 0.000 0.621 563 W N 0.788 121.456 121.300 -1.053 0.000 2.335 563 W HA 0.114 4.775 4.660 0.001 0.000 0.311 563 W C 2.136 178.595 176.519 -0.099 0.000 1.213 563 W CA 3.079 60.074 57.345 -0.582 0.000 1.274 563 W CB -1.097 28.178 29.460 -0.310 0.000 1.148 563 W HN 0.706 nan 8.180 nan 0.000 0.498 564 A N -0.547 122.264 122.820 -0.016 0.000 1.978 564 A HA -0.239 4.081 4.320 0.001 0.000 0.220 564 A C 1.928 179.408 177.584 -0.174 0.000 1.170 564 A CA 2.588 54.546 52.037 -0.132 0.000 0.636 564 A CB -1.294 17.710 19.000 0.006 0.000 0.810 564 A HN 0.326 nan 8.150 nan 0.000 0.448 565 T N -1.394 113.070 114.554 -0.150 0.000 2.746 565 T HA -0.176 4.175 4.350 0.001 0.000 0.267 565 T C 1.800 176.516 174.700 0.027 0.000 1.039 565 T CA 1.684 63.669 62.100 -0.192 0.000 1.142 565 T CB -0.428 68.145 68.868 -0.492 0.000 0.866 565 T HN 0.721 nan 8.240 nan 0.000 0.444 566 Y N 1.973 122.344 120.300 0.119 0.000 2.184 566 Y HA 0.055 4.606 4.550 0.001 0.000 0.290 566 Y C 1.919 177.815 175.900 -0.006 0.000 1.129 566 Y CA 0.774 58.992 58.100 0.196 0.000 1.144 566 Y CB -0.778 37.806 38.460 0.207 0.000 0.995 566 Y HN 0.101 nan 8.280 nan 0.000 0.513 567 L N 0.350 121.098 121.223 -0.791 0.000 2.042 567 L HA -0.236 4.105 4.340 0.001 0.000 0.210 567 L C 2.817 179.432 176.870 -0.425 0.000 1.076 567 L CA 1.434 55.766 54.840 -0.847 0.000 0.749 567 L CB -0.991 40.620 42.059 -0.747 0.000 0.893 567 L HN 0.430 nan 8.230 nan 0.000 0.432 568 A N -1.277 121.379 122.820 -0.274 0.000 1.874 568 A HA -0.175 4.145 4.320 0.001 0.000 0.214 568 A C 2.516 180.037 177.584 -0.104 0.000 1.189 568 A CA 1.710 53.648 52.037 -0.166 0.000 0.615 568 A CB -0.635 18.265 19.000 -0.166 0.000 0.830 568 A HN 0.325 nan 8.150 nan 0.000 0.443 569 S N -1.182 114.476 115.700 -0.070 0.000 2.368 569 S HA -0.114 4.356 4.470 0.001 0.000 0.224 569 S C 1.960 176.588 174.600 0.046 0.000 1.029 569 S CA 2.270 60.477 58.200 0.012 0.000 0.988 569 S CB -0.349 62.915 63.200 0.106 0.000 0.838 569 S HN 0.584 nan 8.310 nan 0.000 0.462 570 T N 1.018 115.587 114.554 0.025 0.000 3.021 570 T HA 0.192 4.543 4.350 0.001 0.000 0.245 570 T C 1.365 176.061 174.700 -0.006 0.000 1.028 570 T CA 0.448 62.586 62.100 0.063 0.000 1.139 570 T CB -0.044 68.955 68.868 0.218 0.000 0.884 570 T HN 0.295 nan 8.240 nan 0.000 0.457 571 E N 1.274 121.384 120.200 -0.150 0.000 2.472 571 E HA 0.169 4.520 4.350 0.001 0.000 0.196 571 E C -0.039 176.555 176.600 -0.011 0.000 1.033 571 E CA -0.051 56.295 56.400 -0.091 0.000 0.886 571 E CB -0.242 29.338 29.700 -0.200 0.000 0.944 571 E HN 0.528 nan 8.360 nan 0.000 0.492 572 N N 0.577 119.280 118.700 0.005 0.000 2.740 572 N HA -0.188 4.553 4.740 0.001 0.000 0.248 572 N C -0.862 174.734 175.510 0.144 0.000 1.062 572 N CA 0.242 53.359 53.050 0.112 0.000 0.704 572 N CB -1.247 37.347 38.487 0.178 0.000 0.968 572 N HN 0.190 nan 8.380 nan 0.000 0.547 573 I N 0.902 121.488 120.570 0.028 0.000 2.377 573 I HA 0.362 4.533 4.170 0.001 0.000 0.293 573 I C 0.537 176.643 176.117 -0.019 0.000 0.987 573 I CA -0.833 60.489 61.300 0.037 0.000 1.185 573 I CB 1.321 39.353 38.000 0.053 0.000 1.341 573 I HN 0.034 nan 8.210 nan 0.000 0.455 574 I N 6.478 127.047 120.570 -0.001 0.000 2.416 574 I HA 0.166 4.336 4.170 0.001 0.000 0.288 574 I C -0.395 175.715 176.117 -0.011 0.000 1.051 574 I CA -0.404 60.852 61.300 -0.074 0.000 1.375 574 I CB 1.044 39.002 38.000 -0.071 0.000 1.407 574 I HN 0.190 nan 8.210 nan 0.000 0.516 575 V N 6.755 126.647 119.914 -0.036 0.000 2.334 575 V HA 0.603 4.723 4.120 0.001 0.000 0.281 575 V C 0.344 176.471 176.094 0.054 0.000 1.016 575 V CA -0.433 61.896 62.300 0.047 0.000 0.832 575 V CB 1.072 32.913 31.823 0.031 0.000 0.999 575 V HN 0.843 nan 8.190 nan 0.000 0.439 576 A N 4.042 126.928 122.820 0.109 0.000 2.330 576 A HA 0.955 5.276 4.320 0.001 0.000 0.329 576 A C -0.124 177.620 177.584 0.266 0.000 1.135 576 A CA -0.504 51.603 52.037 0.115 0.000 0.817 576 A CB 1.674 20.627 19.000 -0.077 0.000 1.269 576 A HN 0.678 nan 8.150 nan 0.000 0.469 577 S N -0.403 115.500 115.700 0.338 0.000 2.549 577 S HA 0.745 5.216 4.470 0.001 0.000 0.280 577 S C -1.531 173.426 174.600 0.595 0.000 1.109 577 S CA -0.296 58.145 58.200 0.401 0.000 0.905 577 S CB 1.347 64.721 63.200 0.290 0.000 1.081 577 S HN 0.761 nan 8.310 nan 0.000 0.477 578 F N 1.746 121.931 119.950 0.391 0.000 2.569 578 F HA 0.498 5.026 4.527 0.001 0.000 0.312 578 F C -1.539 174.470 175.800 0.347 0.000 1.109 578 F CA -0.832 57.426 58.000 0.430 0.000 0.919 578 F CB 1.562 40.790 39.000 0.380 0.000 1.211 578 F HN 0.393 nan 8.300 nan 0.000 0.446 579 D N 4.370 124.549 120.400 -0.368 0.000 2.473 579 D HA 0.379 5.020 4.640 0.001 0.000 0.226 579 D C 0.341 176.345 176.300 -0.493 0.000 1.089 579 D CA 0.111 53.976 54.000 -0.225 0.000 0.883 579 D CB 1.467 42.303 40.800 0.060 0.000 1.029 579 D HN 0.768 nan 8.370 nan 0.000 0.517 580 G N 1.284 109.872 108.800 -0.354 0.000 2.641 580 G HA2 0.300 4.261 3.960 0.001 0.000 0.239 580 G HA3 0.300 4.261 3.960 0.001 0.000 0.239 580 G C 0.167 175.065 174.900 -0.003 0.000 1.402 580 G CA -0.693 44.240 45.100 -0.278 0.000 1.046 580 G HN 0.281 nan 8.290 nan 0.000 0.565 581 R N -0.764 119.704 120.500 -0.054 0.000 2.623 581 R HA 0.370 4.711 4.340 0.001 0.000 0.271 581 R C 1.265 177.636 176.300 0.119 0.000 1.043 581 R CA 1.429 57.591 56.100 0.102 0.000 1.083 581 R CB 0.491 30.825 30.300 0.057 0.000 0.974 581 R HN 1.049 nan 8.270 nan 0.000 0.436 582 G N 0.994 109.865 108.800 0.117 0.000 2.234 582 G HA2 -0.338 3.623 3.960 0.001 0.000 0.235 582 G HA3 -0.338 3.623 3.960 0.001 0.000 0.235 582 G C 0.179 175.092 174.900 0.022 0.000 0.997 582 G CA 0.213 45.358 45.100 0.076 0.000 0.623 582 G HN 0.743 nan 8.290 nan 0.000 0.514 583 S N 0.477 116.205 115.700 0.046 0.000 2.600 583 S HA 0.643 5.114 4.470 0.001 0.000 0.265 583 S C 0.912 175.482 174.600 -0.050 0.000 1.325 583 S CA 0.619 58.838 58.200 0.032 0.000 1.002 583 S CB 1.693 64.946 63.200 0.089 0.000 0.921 583 S HN 1.693 nan 8.310 nan 0.000 0.554 584 G N -0.599 108.118 108.800 -0.139 0.000 2.613 584 G HA2 0.490 4.451 3.960 0.001 0.000 0.303 584 G HA3 0.490 4.451 3.960 0.001 0.000 0.303 584 G C -0.885 173.790 174.900 -0.376 0.000 1.312 584 G CA -0.946 43.880 45.100 -0.456 0.000 1.036 584 G HN 0.978 nan 8.290 nan 0.000 0.513 585 Y N -2.401 117.901 120.300 0.003 0.000 4.604 585 Y HA -0.224 4.326 4.550 0.001 0.000 0.230 585 Y C 1.436 177.344 175.900 0.013 0.000 1.066 585 Y CA 1.141 59.248 58.100 0.012 0.000 1.990 585 Y CB -2.178 36.307 38.460 0.042 0.000 1.619 585 Y HN 0.529 nan 8.280 nan 0.000 0.649 586 Q N -0.045 119.760 119.800 0.009 0.000 2.112 586 Q HA 0.510 4.851 4.340 0.001 0.000 0.222 586 Q C 0.939 176.819 176.000 -0.199 0.000 0.798 586 Q CA 0.222 56.041 55.803 0.026 0.000 1.060 586 Q CB 1.650 30.403 28.738 0.024 0.000 1.184 586 Q HN 0.583 nan 8.270 nan 0.000 0.475 587 G N 0.786 109.336 108.800 -0.416 0.000 2.663 587 G HA2 -0.177 3.784 3.960 0.001 0.000 0.686 587 G HA3 -0.177 3.784 3.960 0.001 0.000 0.686 587 G C -0.499 174.033 174.900 -0.613 0.000 1.246 587 G CA -0.566 44.024 45.100 -0.849 0.000 0.795 587 G HN 0.102 nan 8.290 nan 0.000 0.627 588 D N 0.191 120.192 120.400 -0.665 0.000 2.219 588 D HA -0.062 4.579 4.640 0.001 0.000 0.205 588 D C 2.243 178.284 176.300 -0.432 0.000 0.970 588 D CA 1.421 54.994 54.000 -0.713 0.000 0.851 588 D CB 0.037 40.355 40.800 -0.804 0.000 0.943 588 D HN 0.530 nan 8.370 nan 0.000 0.488 589 K N 0.917 121.111 120.400 -0.344 0.000 2.074 589 K HA -0.103 4.218 4.320 0.001 0.000 0.209 589 K C 1.882 178.414 176.600 -0.114 0.000 1.048 589 K CA 1.058 57.234 56.287 -0.186 0.000 0.926 589 K CB -0.340 32.059 32.500 -0.168 0.000 0.713 589 K HN 0.162 nan 8.250 nan 0.000 0.444 590 I N -0.478 120.009 120.570 -0.139 0.000 2.339 590 I HA -0.109 4.062 4.170 0.001 0.000 0.245 590 I C 2.525 178.632 176.117 -0.016 0.000 1.096 590 I CA 0.889 62.178 61.300 -0.018 0.000 1.408 590 I CB -0.143 37.857 38.000 0.000 0.000 1.092 590 I HN 0.252 nan 8.210 nan 0.000 0.423 591 M N 0.132 119.648 119.600 -0.139 0.000 2.132 591 M HA -0.231 4.250 4.480 0.001 0.000 0.263 591 M C 1.919 178.246 176.300 0.045 0.000 1.065 591 M CA 2.002 57.240 55.300 -0.103 0.000 1.122 591 M CB -0.297 32.137 32.600 -0.276 0.000 1.365 591 M HN 0.265 nan 8.290 nan 0.000 0.411 592 H N -0.748 118.219 119.070 -0.172 0.000 2.547 592 H HA 0.159 4.716 4.556 0.001 0.000 0.266 592 H C 1.849 177.190 175.328 0.021 0.000 0.988 592 H CA 0.124 56.075 56.048 -0.162 0.000 1.147 592 H CB 0.170 29.749 29.762 -0.305 0.000 1.365 592 H HN 0.529 nan 8.280 nan 0.000 0.589 593 A N 1.511 124.435 122.820 0.173 0.000 2.024 593 A HA -0.140 4.180 4.320 0.001 0.000 0.220 593 A C 2.052 179.847 177.584 0.352 0.000 1.164 593 A CA 1.138 53.304 52.037 0.216 0.000 0.643 593 A CB -0.657 18.431 19.000 0.147 0.000 0.806 593 A HN 0.582 nan 8.150 nan 0.000 0.451 594 I N -3.187 117.550 120.570 0.279 0.000 3.861 594 I HA 0.154 4.325 4.170 0.001 0.000 0.329 594 I C 0.409 176.603 176.117 0.129 0.000 1.321 594 I CA -0.480 60.932 61.300 0.186 0.000 1.126 594 I CB -0.588 37.489 38.000 0.128 0.000 1.018 594 I HN 0.202 nan 8.210 nan 0.000 0.407 595 N N 3.141 121.960 118.700 0.199 0.000 2.357 595 N HA -0.081 4.660 4.740 0.001 0.000 0.257 595 N C 0.194 175.725 175.510 0.035 0.000 1.250 595 N CA 0.340 53.505 53.050 0.191 0.000 0.862 595 N CB 0.352 38.901 38.487 0.104 0.000 1.066 595 N HN 0.405 nan 8.380 nan 0.000 0.468 596 R N 0.869 121.373 120.500 0.007 0.000 4.000 596 R HA -0.208 4.132 4.340 0.001 0.000 0.348 596 R C -0.316 175.857 176.300 -0.211 0.000 1.204 596 R CA 0.948 57.008 56.100 -0.067 0.000 0.987 596 R CB -1.051 29.226 30.300 -0.038 0.000 1.446 596 R HN 0.631 nan 8.270 nan 0.000 0.555 597 R N 0.466 120.824 120.500 -0.238 0.000 2.583 597 R HA 0.321 4.662 4.340 0.001 0.000 0.282 597 R C -0.449 175.786 176.300 -0.108 0.000 1.288 597 R CA -0.222 55.578 56.100 -0.501 0.000 1.415 597 R CB 0.683 30.638 30.300 -0.575 0.000 1.331 597 R HN 0.029 nan 8.270 nan 0.000 0.719 598 L N -0.286 120.968 121.223 0.051 0.000 2.467 598 L HA 0.248 4.589 4.340 0.001 0.000 0.270 598 L C 1.352 178.453 176.870 0.385 0.000 1.205 598 L CA 0.852 55.758 54.840 0.110 0.000 0.828 598 L CB 0.528 42.435 42.059 -0.253 0.000 1.101 598 L HN 0.716 nan 8.230 nan 0.000 0.479 599 G N 0.536 109.596 108.800 0.432 0.000 2.143 599 G HA2 -0.292 3.669 3.960 0.001 0.000 0.248 599 G HA3 -0.292 3.669 3.960 0.001 0.000 0.248 599 G C 0.452 175.432 174.900 0.133 0.000 0.991 599 G CA 0.618 45.910 45.100 0.320 0.000 0.689 599 G HN 0.862 nan 8.290 nan 0.000 0.522 600 T N -3.604 110.988 114.554 0.064 0.000 3.257 600 T HA 0.469 4.820 4.350 0.001 0.000 0.176 600 T C 1.649 176.336 174.700 -0.022 0.000 0.892 600 T CA 0.906 62.952 62.100 -0.091 0.000 1.147 600 T CB -0.055 68.582 68.868 -0.385 0.000 1.840 600 T HN 0.143 nan 8.240 nan 0.000 0.375 601 F N 3.491 123.469 119.950 0.046 0.000 2.161 601 F HA 0.064 4.592 4.527 0.001 0.000 0.300 601 F C 2.804 178.624 175.800 0.033 0.000 1.089 601 F CA 1.212 59.227 58.000 0.026 0.000 1.282 601 F CB -0.729 38.281 39.000 0.017 0.000 1.010 601 F HN 0.526 nan 8.300 nan 0.000 0.485 602 E N 0.731 121.075 120.200 0.240 0.000 2.150 602 E HA -0.121 4.229 4.350 0.001 0.000 0.193 602 E C 2.096 178.790 176.600 0.157 0.000 0.985 602 E CA 1.422 57.934 56.400 0.187 0.000 0.814 602 E CB -0.984 28.831 29.700 0.191 0.000 0.752 602 E HN 0.301 nan 8.360 nan 0.000 0.466 603 V N 1.598 121.582 119.914 0.116 0.000 2.346 603 V HA -0.186 3.935 4.120 0.001 0.000 0.244 603 V C 2.311 178.435 176.094 0.050 0.000 1.037 603 V CA 2.016 64.340 62.300 0.040 0.000 1.029 603 V CB -0.545 31.254 31.823 -0.040 0.000 0.663 603 V HN 0.199 nan 8.190 nan 0.000 0.454 604 E N 0.160 120.406 120.200 0.078 0.000 2.118 604 E HA -0.244 4.107 4.350 0.001 0.000 0.195 604 E C 1.908 178.540 176.600 0.053 0.000 0.992 604 E CA 1.532 57.976 56.400 0.074 0.000 0.804 604 E CB -0.182 29.595 29.700 0.127 0.000 0.741 604 E HN 0.564 nan 8.360 nan 0.000 0.458 605 D N 0.283 120.732 120.400 0.082 0.000 2.178 605 D HA -0.132 4.509 4.640 0.001 0.000 0.202 605 D C 1.984 178.325 176.300 0.069 0.000 0.974 605 D CA 0.771 54.813 54.000 0.070 0.000 0.841 605 D CB -0.082 40.788 40.800 0.117 0.000 0.953 605 D HN 0.121 nan 8.370 nan 0.000 0.478 606 Q N 0.135 120.015 119.800 0.134 0.000 2.079 606 Q HA -0.034 4.307 4.340 0.001 0.000 0.200 606 Q C 2.581 178.618 176.000 0.062 0.000 0.974 606 Q CA 0.532 56.413 55.803 0.131 0.000 0.840 606 Q CB -0.120 28.708 28.738 0.149 0.000 0.898 606 Q HN 0.423 nan 8.270 nan 0.000 0.430 607 I N 0.867 121.486 120.570 0.082 0.000 2.179 607 I HA -0.235 3.936 4.170 0.001 0.000 0.242 607 I C 2.420 178.508 176.117 -0.048 0.000 1.088 607 I CA 0.953 62.343 61.300 0.150 0.000 1.357 607 I CB -0.238 37.836 38.000 0.124 0.000 1.051 607 I HN 0.106 nan 8.210 nan 0.000 0.409 608 E N 1.183 121.304 120.200 -0.132 0.000 2.085 608 E HA -0.222 4.129 4.350 0.001 0.000 0.194 608 E C 2.264 178.583 176.600 -0.467 0.000 0.994 608 E CA 1.666 57.922 56.400 -0.240 0.000 0.801 608 E CB -0.226 29.347 29.700 -0.211 0.000 0.743 608 E HN 0.475 nan 8.360 nan 0.000 0.453 609 A N 0.982 123.380 122.820 -0.704 0.000 1.877 609 A HA -0.106 4.214 4.320 0.001 0.000 0.216 609 A C 2.431 179.268 177.584 -1.245 0.000 1.186 609 A CA 2.378 53.644 52.037 -1.285 0.000 0.620 609 A CB -0.763 17.225 19.000 -1.687 0.000 0.822 609 A HN 0.301 nan 8.150 nan 0.000 0.443 610 A N -0.433 122.044 122.820 -0.571 0.000 1.933 610 A HA -0.176 4.145 4.320 0.001 0.000 0.218 610 A C 2.243 179.622 177.584 -0.341 0.000 1.175 610 A CA 1.777 53.642 52.037 -0.286 0.000 0.628 610 A CB -0.508 18.445 19.000 -0.079 0.000 0.814 610 A HN 0.569 nan 8.150 nan 0.000 0.444 611 R N -0.456 119.839 120.500 -0.341 0.000 2.081 611 R HA -0.175 4.166 4.340 0.001 0.000 0.235 611 R C 2.336 178.470 176.300 -0.275 0.000 1.131 611 R CA 1.837 57.775 56.100 -0.270 0.000 0.960 611 R CB -0.273 29.898 30.300 -0.215 0.000 0.856 611 R HN 0.694 nan 8.270 nan 0.000 0.436 612 Q N -0.654 118.909 119.800 -0.395 0.000 2.049 612 Q HA -0.137 4.204 4.340 0.001 0.000 0.198 612 Q C 2.020 177.884 176.000 -0.225 0.000 0.971 612 Q CA 1.292 56.892 55.803 -0.339 0.000 0.833 612 Q CB -0.121 28.357 28.738 -0.432 0.000 0.896 612 Q HN 0.314 nan 8.270 nan 0.000 0.434 613 F N 1.361 121.150 119.950 -0.268 0.000 2.161 613 F HA -0.192 4.336 4.527 0.001 0.000 0.300 613 F C 2.775 178.422 175.800 -0.256 0.000 1.089 613 F CA 1.363 59.204 58.000 -0.265 0.000 1.282 613 F CB -1.321 37.554 39.000 -0.208 0.000 1.010 613 F HN 0.097 nan 8.300 nan 0.000 0.485 614 S N -0.206 115.463 115.700 -0.052 0.000 2.442 614 S HA -0.161 4.310 4.470 0.001 0.000 0.236 614 S C 1.731 176.251 174.600 -0.133 0.000 1.007 614 S CA 0.871 59.006 58.200 -0.109 0.000 0.965 614 S CB -0.541 62.571 63.200 -0.147 0.000 0.773 614 S HN 0.437 nan 8.310 nan 0.000 0.504 615 K N 0.085 120.402 120.400 -0.139 0.000 2.418 615 K HA 0.253 4.574 4.320 0.001 0.000 0.195 615 K C 0.320 176.823 176.600 -0.162 0.000 1.035 615 K CA 0.131 56.338 56.287 -0.133 0.000 1.003 615 K CB -0.121 32.309 32.500 -0.116 0.000 0.793 615 K HN 0.473 nan 8.250 nan 0.000 0.494 616 M N -0.169 119.288 119.600 -0.239 0.000 2.243 616 M HA 0.031 4.512 4.480 0.001 0.000 0.341 616 M C 1.600 177.653 176.300 -0.411 0.000 1.130 616 M CA -0.019 55.044 55.300 -0.396 0.000 1.162 616 M CB 0.967 33.121 32.600 -0.743 0.000 1.497 616 M HN 0.133 nan 8.290 nan 0.000 0.456 617 G N 1.908 110.527 108.800 -0.303 0.000 2.450 617 G HA2 -0.204 3.757 3.960 0.001 0.000 0.220 617 G HA3 -0.204 3.757 3.960 0.001 0.000 0.220 617 G C 0.833 175.694 174.900 -0.065 0.000 1.130 617 G CA 0.776 45.797 45.100 -0.130 0.000 0.760 617 G HN 0.807 nan 8.290 nan 0.000 0.557 618 F N 0.039 120.051 119.950 0.104 0.000 2.732 618 F HA 0.585 5.113 4.527 0.001 0.000 0.303 618 F C -0.059 175.873 175.800 0.221 0.000 1.110 618 F CA -1.356 56.753 58.000 0.183 0.000 1.355 618 F CB -0.342 38.843 39.000 0.308 0.000 1.081 618 F HN -0.173 nan 8.300 nan 0.000 0.565 619 V N 1.577 121.473 119.914 -0.030 0.000 2.459 619 V HA 0.181 4.302 4.120 0.001 0.000 0.295 619 V C -0.614 175.463 176.094 -0.029 0.000 1.029 619 V CA -0.868 61.445 62.300 0.022 0.000 0.874 619 V CB 1.504 33.279 31.823 -0.080 0.000 0.985 619 V HN 0.056 nan 8.190 nan 0.000 0.438 620 D N 3.630 124.011 120.400 -0.031 0.000 2.402 620 D HA 0.049 4.689 4.640 0.001 0.000 0.235 620 D C 1.400 177.647 176.300 -0.088 0.000 1.226 620 D CA -0.090 53.864 54.000 -0.078 0.000 0.918 620 D CB 0.283 41.014 40.800 -0.115 0.000 1.043 620 D HN 0.755 nan 8.370 nan 0.000 0.506 621 N N 2.527 121.176 118.700 -0.084 0.000 2.588 621 N HA -0.179 4.561 4.740 0.001 0.000 0.190 621 N C 0.768 176.231 175.510 -0.078 0.000 1.094 621 N CA 0.448 53.442 53.050 -0.092 0.000 0.921 621 N CB 0.151 38.580 38.487 -0.096 0.000 0.959 621 N HN 0.243 nan 8.380 nan 0.000 0.448 622 K N -0.024 120.337 120.400 -0.065 0.000 2.361 622 K HA 0.102 4.423 4.320 0.001 0.000 0.196 622 K C 0.199 176.792 176.600 -0.011 0.000 1.039 622 K CA 0.418 56.682 56.287 -0.037 0.000 1.001 622 K CB 0.352 32.832 32.500 -0.034 0.000 0.795 622 K HN 0.160 nan 8.250 nan 0.000 0.495 623 R N 1.206 121.671 120.500 -0.057 0.000 2.564 623 R HA 0.371 4.712 4.340 0.001 0.000 0.282 623 R C -1.040 175.234 176.300 -0.042 0.000 1.573 623 R CA -0.055 56.012 56.100 -0.056 0.000 1.588 623 R CB 0.682 30.775 30.300 -0.345 0.000 1.154 623 R HN -0.018 nan 8.270 nan 0.000 0.606 624 I N 1.239 121.896 120.570 0.144 0.000 2.436 624 I HA 0.609 4.779 4.170 0.001 0.000 0.289 624 I C -0.142 176.232 176.117 0.429 0.000 1.010 624 I CA -0.778 60.636 61.300 0.190 0.000 1.098 624 I CB 1.967 39.925 38.000 -0.071 0.000 1.266 624 I HN 0.423 nan 8.210 nan 0.000 0.434 625 A N 6.996 130.178 122.820 0.603 0.000 2.387 625 A HA 0.930 5.251 4.320 0.001 0.000 0.298 625 A C -1.178 176.773 177.584 0.612 0.000 1.165 625 A CA -0.652 51.730 52.037 0.576 0.000 0.814 625 A CB 2.077 21.293 19.000 0.360 0.000 1.357 625 A HN 0.717 nan 8.150 nan 0.000 0.443 626 I N 0.339 121.190 120.570 0.468 0.000 2.752 626 I HA 0.683 4.853 4.170 0.001 0.000 0.295 626 I C -1.969 174.412 176.117 0.440 0.000 1.219 626 I CA -0.539 60.972 61.300 0.352 0.000 1.030 626 I CB 1.618 39.566 38.000 -0.086 0.000 1.259 626 I HN 0.930 nan 8.210 nan 0.000 0.423 627 W N 7.152 128.593 121.300 0.235 0.000 3.167 627 W HA 0.857 5.517 4.660 0.001 0.000 0.324 627 W C -1.483 175.199 176.519 0.273 0.000 1.230 627 W CA -1.022 56.477 57.345 0.256 0.000 1.184 627 W CB 1.180 30.847 29.460 0.345 0.000 1.414 627 W HN 0.822 nan 8.180 nan 0.000 0.551 628 G N 1.160 109.967 108.800 0.012 0.000 2.646 628 G HA2 0.505 4.466 3.960 0.001 0.000 0.291 628 G HA3 0.505 4.466 3.960 0.001 0.000 0.291 628 G C -2.789 172.122 174.900 0.019 0.000 1.445 628 G CA -0.691 44.263 45.100 -0.244 0.000 0.814 628 G HN 0.601 nan 8.290 nan 0.000 0.495 629 W N 0.933 122.149 121.300 -0.139 0.000 2.736 629 W HA 0.616 5.277 4.660 0.001 0.000 0.335 629 W C 0.754 177.342 176.519 0.115 0.000 1.059 629 W CA 0.337 57.681 57.345 -0.001 0.000 1.226 629 W CB 1.924 31.375 29.460 -0.015 0.000 1.416 629 W HN 1.205 nan 8.180 nan 0.000 0.505 630 S N 2.358 118.353 115.700 0.492 0.000 4.116 630 S HA -0.426 4.045 4.470 0.001 0.000 0.623 630 S C 1.066 175.832 174.600 0.278 0.000 1.933 630 S CA 1.727 60.228 58.200 0.501 0.000 4.224 630 S CB -1.840 61.797 63.200 0.728 0.000 0.208 630 S HN 0.753 nan 8.310 nan 0.000 0.527 631 Y N 2.363 122.736 120.300 0.123 0.000 2.274 631 Y HA 0.066 4.617 4.550 0.001 0.000 0.290 631 Y C 2.314 178.181 175.900 -0.056 0.000 1.145 631 Y CA 2.487 60.531 58.100 -0.094 0.000 1.203 631 Y CB -0.994 37.185 38.460 -0.469 0.000 0.984 631 Y HN 0.520 nan 8.280 nan 0.000 0.533 632 G N -1.018 107.880 108.800 0.162 0.000 2.443 632 G HA2 -0.175 3.786 3.960 0.001 0.000 0.219 632 G HA3 -0.175 3.786 3.960 0.001 0.000 0.219 632 G C 1.867 176.830 174.900 0.105 0.000 1.131 632 G CA 0.657 45.851 45.100 0.158 0.000 0.775 632 G HN 0.571 nan 8.290 nan 0.000 0.547 633 G N -0.070 108.800 108.800 0.117 0.000 2.394 633 G HA2 -0.201 3.760 3.960 0.001 0.000 0.215 633 G HA3 -0.201 3.760 3.960 0.001 0.000 0.215 633 G C 1.563 176.502 174.900 0.065 0.000 1.165 633 G CA 1.008 46.154 45.100 0.077 0.000 0.784 633 G HN 0.386 nan 8.290 nan 0.000 0.535 634 Y N 1.543 121.755 120.300 -0.148 0.000 2.097 634 Y HA -0.157 4.394 4.550 0.001 0.000 0.282 634 Y C 2.780 178.589 175.900 -0.151 0.000 1.152 634 Y CA 1.730 59.686 58.100 -0.240 0.000 1.136 634 Y CB -0.587 37.573 38.460 -0.500 0.000 0.975 634 Y HN 0.023 nan 8.280 nan 0.000 0.498 635 V N -0.240 119.544 119.914 -0.217 0.000 2.407 635 V HA -0.328 3.793 4.120 0.001 0.000 0.248 635 V C 2.326 178.309 176.094 -0.185 0.000 1.055 635 V CA 2.402 64.558 62.300 -0.240 0.000 1.049 635 V CB -1.199 30.632 31.823 0.013 0.000 0.662 635 V HN 0.506 nan 8.190 nan 0.000 0.455 636 T N -0.239 114.267 114.554 -0.079 0.000 2.708 636 T HA -0.184 4.166 4.350 0.001 0.000 0.266 636 T C 2.156 176.810 174.700 -0.077 0.000 1.037 636 T CA 1.963 64.030 62.100 -0.054 0.000 1.146 636 T CB -0.243 68.675 68.868 0.084 0.000 0.865 636 T HN 0.521 nan 8.240 nan 0.000 0.435 637 S N 1.096 116.788 115.700 -0.013 0.000 2.368 637 S HA -0.019 4.452 4.470 0.001 0.000 0.224 637 S C 2.142 176.669 174.600 -0.122 0.000 1.029 637 S CA 0.921 59.144 58.200 0.037 0.000 0.988 637 S CB -0.277 62.996 63.200 0.121 0.000 0.838 637 S HN 0.311 nan 8.310 nan 0.000 0.462 638 M N 0.969 120.404 119.600 -0.275 0.000 2.159 638 M HA -0.035 4.446 4.480 0.001 0.000 0.263 638 M C 2.180 178.312 176.300 -0.281 0.000 1.063 638 M CA 1.062 56.169 55.300 -0.321 0.000 1.110 638 M CB -1.431 30.857 32.600 -0.520 0.000 1.374 638 M HN 0.176 nan 8.290 nan 0.000 0.411 639 V N 0.468 120.205 119.914 -0.295 0.000 2.307 639 V HA -0.225 3.896 4.120 0.001 0.000 0.245 639 V C 2.497 178.369 176.094 -0.368 0.000 1.045 639 V CA 1.318 63.430 62.300 -0.314 0.000 1.024 639 V CB -0.597 30.958 31.823 -0.447 0.000 0.651 639 V HN 0.396 nan 8.190 nan 0.000 0.449 640 L N 0.424 121.367 121.223 -0.466 0.000 2.191 640 L HA -0.061 4.280 4.340 0.001 0.000 0.212 640 L C 2.147 178.430 176.870 -0.979 0.000 1.103 640 L CA 1.470 55.934 54.840 -0.626 0.000 0.769 640 L CB -0.668 40.996 42.059 -0.658 0.000 0.908 640 L HN 0.493 nan 8.230 nan 0.000 0.438 641 G N -1.489 106.750 108.800 -0.935 0.000 3.284 641 G HA2 -0.021 3.940 3.960 0.001 0.000 0.236 641 G HA3 -0.021 3.940 3.960 0.001 0.000 0.236 641 G C 1.453 176.175 174.900 -0.296 0.000 1.158 641 G CA 0.542 45.208 45.100 -0.724 0.000 0.774 641 G HN 0.411 nan 8.290 nan 0.000 0.545 642 S N -0.629 114.919 115.700 -0.253 0.000 2.461 642 S HA 0.282 4.753 4.470 0.001 0.000 0.228 642 S C 2.001 176.548 174.600 -0.088 0.000 1.005 642 S CA 1.097 59.219 58.200 -0.131 0.000 0.942 642 S CB -0.136 63.006 63.200 -0.097 0.000 0.776 642 S HN 1.368 nan 8.310 nan 0.000 0.514 643 G N 1.293 110.030 108.800 -0.105 0.000 2.148 643 G HA2 -0.346 3.615 3.960 0.001 0.000 0.254 643 G HA3 -0.346 3.615 3.960 0.001 0.000 0.254 643 G C 1.005 175.891 174.900 -0.024 0.000 0.981 643 G CA 0.996 46.061 45.100 -0.059 0.000 0.670 643 G HN 1.310 nan 8.290 nan 0.000 0.528 644 S N -0.459 115.239 115.700 -0.004 0.000 2.419 644 S HA 0.269 4.740 4.470 0.001 0.000 0.233 644 S C 2.629 177.235 174.600 0.011 0.000 1.016 644 S CA 1.790 60.002 58.200 0.020 0.000 0.974 644 S CB -0.335 62.908 63.200 0.073 0.000 0.786 644 S HN 2.446 nan 8.310 nan 0.000 0.492 645 G N -0.096 108.717 108.800 0.022 0.000 2.184 645 G HA2 -0.302 3.659 3.960 0.001 0.000 0.264 645 G HA3 -0.302 3.659 3.960 0.001 0.000 0.264 645 G C 0.794 175.678 174.900 -0.028 0.000 0.975 645 G CA 0.442 45.545 45.100 0.004 0.000 0.642 645 G HN 0.761 nan 8.290 nan 0.000 0.536 646 V N -0.412 119.466 119.914 -0.061 0.000 2.591 646 V HA 0.251 4.372 4.120 0.001 0.000 0.249 646 V C 1.216 177.034 176.094 -0.460 0.000 1.053 646 V CA 1.430 63.547 62.300 -0.305 0.000 1.068 646 V CB -0.393 31.127 31.823 -0.505 0.000 0.689 646 V HN 0.315 nan 8.190 nan 0.000 0.462 647 F N -0.045 119.917 119.950 0.019 0.000 2.421 647 F HA 0.404 4.932 4.527 0.001 0.000 0.337 647 F C 1.093 176.935 175.800 0.071 0.000 1.105 647 F CA -0.551 57.487 58.000 0.063 0.000 1.049 647 F CB 1.512 40.550 39.000 0.063 0.000 1.139 647 F HN -0.254 nan 8.300 nan 0.000 0.479 648 K N 1.618 122.170 120.400 0.253 0.000 2.166 648 K HA 0.135 4.456 4.320 0.001 0.000 0.201 648 K C -0.137 176.590 176.600 0.212 0.000 1.052 648 K CA 0.812 57.215 56.287 0.193 0.000 0.969 648 K CB 0.286 32.894 32.500 0.181 0.000 0.761 648 K HN 0.797 nan 8.250 nan 0.000 0.459 649 c N -2.708 116.056 118.600 0.273 0.000 3.321 649 c HA 0.913 5.484 4.570 0.001 0.000 0.329 649 c C -0.242 174.084 174.090 0.393 0.000 1.394 649 c CA -0.550 55.964 56.329 0.309 0.000 1.291 649 c CB 1.092 43.685 42.510 0.137 0.000 1.606 649 c HN 0.350 nan 8.230 nan 0.000 0.463 650 G N -0.062 109.051 108.800 0.522 0.000 2.601 650 G HA2 0.711 4.672 3.960 0.001 0.000 0.291 650 G HA3 0.711 4.672 3.960 0.001 0.000 0.291 650 G C -1.992 173.179 174.900 0.451 0.000 1.456 650 G CA -0.688 44.692 45.100 0.466 0.000 0.804 650 G HN 1.041 nan 8.290 nan 0.000 0.499 651 I N 0.595 121.389 120.570 0.373 0.000 2.499 651 I HA 0.611 4.782 4.170 0.001 0.000 0.288 651 I C 0.047 176.302 176.117 0.230 0.000 1.048 651 I CA -1.024 60.377 61.300 0.168 0.000 1.062 651 I CB 2.201 40.289 38.000 0.147 0.000 1.238 651 I HN 0.673 nan 8.210 nan 0.000 0.426 652 A N 6.478 129.320 122.820 0.036 0.000 2.287 652 A HA 0.779 5.100 4.320 0.001 0.000 0.317 652 A C -0.741 176.762 177.584 -0.135 0.000 1.220 652 A CA -0.507 51.556 52.037 0.043 0.000 0.835 652 A CB 1.208 20.286 19.000 0.129 0.000 1.180 652 A HN 0.445 nan 8.150 nan 0.000 0.500 653 V N 2.109 121.896 119.914 -0.211 0.000 2.417 653 V HA 0.575 4.696 4.120 0.001 0.000 0.291 653 V C 0.936 176.648 176.094 -0.636 0.000 1.024 653 V CA 0.292 62.244 62.300 -0.581 0.000 0.861 653 V CB 0.927 32.054 31.823 -1.160 0.000 0.985 653 V HN 2.078 nan 8.190 nan 0.000 0.436 654 A N 5.594 128.018 122.820 -0.659 0.000 2.415 654 A HA -0.107 4.214 4.320 0.001 0.000 0.292 654 A C -1.795 175.659 177.584 -0.216 0.000 1.452 654 A CA 0.524 52.086 52.037 -0.791 0.000 0.750 654 A CB -1.517 17.133 19.000 -0.583 0.000 1.099 654 A HN 0.611 nan 8.150 nan 0.000 0.391 655 P HA 0.468 nan 4.420 nan 0.000 0.282 655 P C 0.041 177.314 177.300 -0.045 0.000 1.259 655 P CA -0.360 62.729 63.100 -0.019 0.000 0.826 655 P CB 1.498 33.206 31.700 0.014 0.000 1.064 656 V N 2.034 121.823 119.914 -0.208 0.000 2.649 656 V HA 0.104 4.225 4.120 0.001 0.000 0.292 656 V C 1.657 177.537 176.094 -0.357 0.000 1.055 656 V CA 0.814 62.837 62.300 -0.462 0.000 1.023 656 V CB 0.895 32.064 31.823 -1.090 0.000 0.992 656 V HN 0.835 nan 8.190 nan 0.000 0.480 657 S N 3.883 119.405 115.700 -0.296 0.000 2.554 657 S HA 0.253 4.723 4.470 0.001 0.000 0.227 657 S C 0.426 174.837 174.600 -0.316 0.000 1.050 657 S CA -0.368 57.730 58.200 -0.170 0.000 0.927 657 S CB 0.303 63.473 63.200 -0.050 0.000 0.859 657 S HN 0.842 nan 8.310 nan 0.000 0.494 658 R N -1.160 119.009 120.500 -0.551 0.000 2.522 658 R HA 0.446 4.786 4.340 0.001 0.000 0.273 658 R C -0.968 174.963 176.300 -0.615 0.000 1.133 658 R CA -0.835 54.895 56.100 -0.616 0.000 0.969 658 R CB -0.282 29.606 30.300 -0.687 0.000 1.235 658 R HN 0.112 nan 8.270 nan 0.000 0.433 659 W N 1.612 122.804 121.300 -0.180 0.000 2.387 659 W HA -0.039 4.622 4.660 0.001 0.000 0.272 659 W C 1.140 177.786 176.519 0.212 0.000 1.224 659 W CA 0.925 58.259 57.345 -0.018 0.000 1.210 659 W CB 0.222 29.586 29.460 -0.159 0.000 1.125 659 W HN 0.730 nan 8.180 nan 0.000 0.572 660 E N -1.046 119.321 120.200 0.278 0.000 2.338 660 E HA -0.186 4.165 4.350 0.001 0.000 0.197 660 E C 1.347 178.111 176.600 0.273 0.000 1.007 660 E CA 0.766 57.295 56.400 0.216 0.000 0.849 660 E CB -0.199 29.521 29.700 0.033 0.000 0.774 660 E HN 0.367 nan 8.360 nan 0.000 0.506 661 Y N -1.379 119.006 120.300 0.141 0.000 2.490 661 Y HA 0.025 4.576 4.550 0.001 0.000 0.285 661 Y C 0.828 176.829 175.900 0.169 0.000 1.117 661 Y CA -0.208 57.951 58.100 0.098 0.000 1.262 661 Y CB -0.485 37.976 38.460 0.002 0.000 1.043 661 Y HN 0.018 nan 8.280 nan 0.000 0.553 662 Y N 2.062 122.514 120.300 0.253 0.000 2.334 662 Y HA 0.256 4.806 4.550 0.001 0.000 0.325 662 Y C 0.416 176.532 175.900 0.361 0.000 1.308 662 Y CA -1.980 56.279 58.100 0.266 0.000 1.389 662 Y CB 0.269 38.907 38.460 0.297 0.000 1.328 662 Y HN 0.203 nan 8.280 nan 0.000 0.532 663 D N -0.617 119.457 120.400 -0.543 0.000 2.368 663 D HA 0.093 4.734 4.640 0.001 0.000 0.240 663 D C 0.938 177.201 176.300 -0.063 0.000 1.169 663 D CA 0.367 54.141 54.000 -0.376 0.000 0.906 663 D CB 0.832 41.189 40.800 -0.737 0.000 1.187 663 D HN 0.470 nan 8.370 nan 0.000 0.435 664 S N 1.013 116.692 115.700 -0.035 0.000 2.348 664 S HA -0.215 4.256 4.470 0.001 0.000 0.221 664 S C 1.953 176.576 174.600 0.038 0.000 1.033 664 S CA 1.135 59.372 58.200 0.061 0.000 1.010 664 S CB -1.028 62.216 63.200 0.074 0.000 0.891 664 S HN 0.430 nan 8.310 nan 0.000 0.442 665 V N 0.897 120.770 119.914 -0.068 0.000 2.282 665 V HA -0.195 3.925 4.120 0.001 0.000 0.249 665 V C 2.331 178.342 176.094 -0.138 0.000 1.057 665 V CA 2.333 64.503 62.300 -0.217 0.000 1.032 665 V CB -1.086 30.443 31.823 -0.490 0.000 0.645 665 V HN 0.629 nan 8.190 nan 0.000 0.447 666 Y N 1.125 121.357 120.300 -0.113 0.000 2.206 666 Y HA -0.176 4.375 4.550 0.001 0.000 0.292 666 Y C 2.686 178.592 175.900 0.010 0.000 1.123 666 Y CA 2.133 60.240 58.100 0.012 0.000 1.142 666 Y CB -0.503 38.147 38.460 0.317 0.000 1.006 666 Y HN 0.216 nan 8.280 nan 0.000 0.518 667 T N 0.413 115.194 114.554 0.378 0.000 2.674 667 T HA -0.202 4.148 4.350 0.001 0.000 0.265 667 T C 1.576 176.258 174.700 -0.029 0.000 1.039 667 T CA 1.962 64.216 62.100 0.257 0.000 1.150 667 T CB -0.341 68.825 68.868 0.495 0.000 0.864 667 T HN 0.417 nan 8.240 nan 0.000 0.427 668 E N 0.574 120.789 120.200 0.024 0.000 2.204 668 E HA -0.142 4.208 4.350 0.001 0.000 0.195 668 E C 2.325 178.814 176.600 -0.186 0.000 0.990 668 E CA 0.626 57.029 56.400 0.006 0.000 0.821 668 E CB -0.145 29.601 29.700 0.076 0.000 0.750 668 E HN 0.333 nan 8.360 nan 0.000 0.477 669 R N 0.054 120.289 120.500 -0.442 0.000 2.117 669 R HA -0.206 4.134 4.340 0.001 0.000 0.243 669 R C 1.242 177.008 176.300 -0.889 0.000 1.143 669 R CA 1.664 57.308 56.100 -0.761 0.000 0.968 669 R CB -0.036 29.477 30.300 -1.312 0.000 0.863 669 R HN 0.242 nan 8.270 nan 0.000 0.444 670 Y N -2.178 117.809 120.300 -0.521 0.000 2.498 670 Y HA 0.243 4.793 4.550 0.001 0.000 0.259 670 Y C 1.629 177.341 175.900 -0.313 0.000 1.086 670 Y CA 0.013 57.800 58.100 -0.521 0.000 1.287 670 Y CB 0.460 38.474 38.460 -0.744 0.000 1.146 670 Y HN -0.036 nan 8.280 nan 0.000 0.523 671 M N -0.306 119.186 119.600 -0.180 0.000 2.313 671 M HA 0.371 4.852 4.480 0.001 0.000 0.273 671 M C 1.012 177.335 176.300 0.038 0.000 1.049 671 M CA 0.704 55.900 55.300 -0.174 0.000 1.004 671 M CB -0.234 32.047 32.600 -0.532 0.000 1.461 671 M HN 0.331 nan 8.290 nan 0.000 0.514 672 G N 2.042 110.877 108.800 0.057 0.000 2.645 672 G HA2 -0.248 3.712 3.960 0.001 0.000 0.246 672 G HA3 -0.248 3.712 3.960 0.001 0.000 0.246 672 G C -0.458 174.586 174.900 0.240 0.000 1.322 672 G CA -0.721 44.450 45.100 0.119 0.000 0.898 672 G HN 0.367 nan 8.290 nan 0.000 0.573 673 L N 1.780 123.108 121.223 0.174 0.000 2.357 673 L HA 0.428 4.769 4.340 0.001 0.000 0.273 673 L C -1.378 175.502 176.870 0.017 0.000 1.080 673 L CA -1.721 53.179 54.840 0.101 0.000 0.803 673 L CB 1.762 43.841 42.059 0.033 0.000 1.174 673 L HN 0.461 nan 8.230 nan 0.000 0.443 674 P HA 0.070 nan 4.420 nan 0.000 0.220 674 P C -0.522 176.632 177.300 -0.245 0.000 1.778 674 P CA -0.133 62.569 63.100 -0.664 0.000 0.912 674 P CB -0.386 30.590 31.700 -1.208 0.000 1.861 675 T N -2.926 111.572 114.554 -0.094 0.000 2.912 675 T HA 0.437 4.788 4.350 0.001 0.000 0.288 675 T C -1.869 172.828 174.700 -0.006 0.000 1.030 675 T CA -2.448 59.625 62.100 -0.045 0.000 1.020 675 T CB 1.951 70.805 68.868 -0.025 0.000 1.056 675 T HN -0.194 nan 8.240 nan 0.000 0.480 676 P HA -0.118 nan 4.420 nan 0.000 0.218 676 P C 0.632 177.946 177.300 0.023 0.000 1.148 676 P CA 1.257 64.366 63.100 0.016 0.000 0.822 676 P CB 0.121 31.826 31.700 0.010 0.000 0.784 677 E N -0.892 119.317 120.200 0.016 0.000 2.427 677 E HA -0.055 4.296 4.350 0.001 0.000 0.196 677 E C 1.454 178.070 176.600 0.027 0.000 1.028 677 E CA 0.614 57.025 56.400 0.018 0.000 0.864 677 E CB -0.382 29.324 29.700 0.009 0.000 0.813 677 E HN 0.318 nan 8.360 nan 0.000 0.514 678 D N -0.201 120.221 120.400 0.037 0.000 3.013 678 D HA 0.058 4.699 4.640 0.001 0.000 0.235 678 D C 0.291 176.645 176.300 0.090 0.000 1.540 678 D CA 0.277 54.311 54.000 0.056 0.000 1.303 678 D CB 0.044 40.879 40.800 0.058 0.000 0.980 678 D HN 0.014 nan 8.370 nan 0.000 0.250 679 N N -0.232 118.553 118.700 0.142 0.000 2.307 679 N HA 0.077 4.818 4.740 0.001 0.000 0.248 679 N C 0.934 176.634 175.510 0.316 0.000 1.322 679 N CA -0.070 53.111 53.050 0.218 0.000 0.861 679 N CB 0.160 38.796 38.487 0.248 0.000 1.303 679 N HN 0.097 nan 8.380 nan 0.000 0.498 680 L N 0.587 121.918 121.223 0.179 0.000 2.043 680 L HA -0.124 4.217 4.340 0.001 0.000 0.212 680 L C 1.131 178.108 176.870 0.178 0.000 1.075 680 L CA 2.055 56.973 54.840 0.131 0.000 0.752 680 L CB -0.536 41.533 42.059 0.017 0.000 0.891 680 L HN 0.121 nan 8.230 nan 0.000 0.432 681 D N -1.380 119.106 120.400 0.143 0.000 2.116 681 D HA -0.262 4.379 4.640 0.001 0.000 0.193 681 D C 2.136 178.528 176.300 0.153 0.000 0.998 681 D CA 1.823 55.897 54.000 0.124 0.000 0.836 681 D CB -0.238 40.625 40.800 0.104 0.000 0.951 681 D HN 0.605 nan 8.370 nan 0.000 0.449 682 H N -1.093 118.045 119.070 0.113 0.000 2.423 682 H HA -0.065 4.492 4.556 0.001 0.000 0.297 682 H C 1.681 177.079 175.328 0.116 0.000 1.075 682 H CA 1.262 57.355 56.048 0.075 0.000 1.342 682 H CB -0.334 29.435 29.762 0.012 0.000 1.395 682 H HN 0.208 nan 8.280 nan 0.000 0.530 683 Y N 0.230 120.506 120.300 -0.040 0.000 2.165 683 Y HA -0.178 4.373 4.550 0.001 0.000 0.286 683 Y C 2.357 178.212 175.900 -0.075 0.000 1.155 683 Y CA 1.452 59.534 58.100 -0.030 0.000 1.164 683 Y CB 0.149 38.630 38.460 0.035 0.000 0.978 683 Y HN 0.130 nan 8.280 nan 0.000 0.513 684 R N -0.262 120.306 120.500 0.113 0.000 2.193 684 R HA -0.030 4.311 4.340 0.001 0.000 0.213 684 R C 1.174 177.466 176.300 -0.013 0.000 1.055 684 R CA 0.636 56.757 56.100 0.035 0.000 0.995 684 R CB -0.561 29.762 30.300 0.037 0.000 0.893 684 R HN 0.411 nan 8.270 nan 0.000 0.459 685 N N 0.598 119.270 118.700 -0.047 0.000 2.412 685 N HA -0.034 4.706 4.740 0.001 0.000 0.184 685 N C 0.424 175.879 175.510 -0.092 0.000 1.101 685 N CA 0.527 53.548 53.050 -0.047 0.000 0.881 685 N CB 0.393 38.886 38.487 0.010 0.000 0.969 685 N HN 0.136 nan 8.380 nan 0.000 0.459 686 S N -0.615 114.984 115.700 -0.167 0.000 2.588 686 S HA 0.093 4.563 4.470 0.001 0.000 0.245 686 S C 0.581 175.225 174.600 0.073 0.000 1.021 686 S CA -0.745 57.418 58.200 -0.061 0.000 1.006 686 S CB -0.261 62.842 63.200 -0.162 0.000 0.830 686 S HN 0.150 nan 8.310 nan 0.000 0.468 687 T N -1.797 112.756 114.554 -0.001 0.000 2.918 687 T HA 0.543 4.893 4.350 0.001 0.000 0.283 687 T C 1.289 175.988 174.700 -0.001 0.000 1.001 687 T CA -0.628 61.458 62.100 -0.023 0.000 1.041 687 T CB 1.318 70.135 68.868 -0.085 0.000 1.028 687 T HN -0.043 nan 8.240 nan 0.000 0.511 688 V N 1.601 121.511 119.914 -0.007 0.000 2.323 688 V HA -0.108 4.012 4.120 0.001 0.000 0.244 688 V C 2.678 178.754 176.094 -0.030 0.000 1.041 688 V CA 1.610 63.902 62.300 -0.014 0.000 1.025 688 V CB -0.960 30.849 31.823 -0.023 0.000 0.656 688 V HN 0.822 nan 8.190 nan 0.000 0.451 689 M N 1.369 120.932 119.600 -0.063 0.000 2.108 689 M HA -0.211 4.269 4.480 0.001 0.000 0.257 689 M C 2.371 178.649 176.300 -0.037 0.000 1.071 689 M CA 2.372 57.630 55.300 -0.070 0.000 1.093 689 M CB -1.125 31.441 32.600 -0.056 0.000 1.345 689 M HN 0.546 nan 8.290 nan 0.000 0.403 690 S N -0.417 115.270 115.700 -0.021 0.000 2.469 690 S HA -0.122 4.349 4.470 0.001 0.000 0.238 690 S C 1.800 176.408 174.600 0.013 0.000 0.998 690 S CA 0.947 59.144 58.200 -0.006 0.000 0.957 690 S CB -0.463 62.733 63.200 -0.007 0.000 0.764 690 S HN 0.544 nan 8.310 nan 0.000 0.514 691 R N 0.518 121.038 120.500 0.034 0.000 2.393 691 R HA 0.492 4.832 4.340 0.001 0.000 0.244 691 R C 2.228 178.632 176.300 0.174 0.000 0.920 691 R CA 0.436 56.582 56.100 0.076 0.000 1.076 691 R CB -0.315 30.022 30.300 0.061 0.000 1.119 691 R HN 0.452 nan 8.270 nan 0.000 0.524 692 A N 1.617 124.493 122.820 0.094 0.000 1.896 692 A HA -0.340 3.981 4.320 0.001 0.000 0.220 692 A C 2.004 179.684 177.584 0.160 0.000 1.206 692 A CA 2.144 54.209 52.037 0.047 0.000 0.647 692 A CB -0.408 18.555 19.000 -0.061 0.000 0.828 692 A HN 0.296 nan 8.150 nan 0.000 0.455 693 E N 0.426 120.687 120.200 0.101 0.000 2.114 693 E HA -0.190 4.160 4.350 0.001 0.000 0.199 693 E C 1.554 178.218 176.600 0.106 0.000 1.008 693 E CA 1.654 58.107 56.400 0.088 0.000 0.810 693 E CB -0.277 29.454 29.700 0.053 0.000 0.739 693 E HN 0.643 nan 8.360 nan 0.000 0.456 694 N N -0.598 118.160 118.700 0.096 0.000 2.571 694 N HA -0.094 4.646 4.740 0.001 0.000 0.189 694 N C 0.697 176.183 175.510 -0.040 0.000 1.154 694 N CA 0.449 53.503 53.050 0.008 0.000 0.907 694 N CB -0.127 38.318 38.487 -0.072 0.000 0.977 694 N HN 0.247 nan 8.380 nan 0.000 0.449 695 F N 1.135 121.047 119.950 -0.063 0.000 2.710 695 F HA 0.125 4.652 4.527 0.001 0.000 0.298 695 F C 1.955 177.761 175.800 0.010 0.000 1.137 695 F CA 0.307 58.265 58.000 -0.070 0.000 1.444 695 F CB 0.254 39.168 39.000 -0.143 0.000 1.111 695 F HN -0.108 nan 8.300 nan 0.000 0.580 696 K N 0.024 120.530 120.400 0.176 0.000 2.360 696 K HA -0.156 4.164 4.320 0.001 0.000 0.201 696 K C 1.443 178.108 176.600 0.108 0.000 1.046 696 K CA 0.851 57.221 56.287 0.139 0.000 0.945 696 K CB -0.097 32.464 32.500 0.102 0.000 0.750 696 K HN 0.375 nan 8.250 nan 0.000 0.464 697 Q N 0.251 120.097 119.800 0.076 0.000 2.319 697 Q HA 0.044 4.385 4.340 0.001 0.000 0.202 697 Q C 0.444 176.489 176.000 0.076 0.000 0.896 697 Q CA 0.243 56.081 55.803 0.060 0.000 0.942 697 Q CB 0.858 29.612 28.738 0.027 0.000 1.083 697 Q HN 0.147 nan 8.270 nan 0.000 0.510 698 V N -2.867 117.109 119.914 0.104 0.000 3.102 698 V HA 0.520 4.641 4.120 0.001 0.000 0.312 698 V C -0.971 175.270 176.094 0.245 0.000 1.135 698 V CA -1.220 61.167 62.300 0.145 0.000 1.022 698 V CB 2.383 34.258 31.823 0.087 0.000 1.056 698 V HN -0.036 nan 8.190 nan 0.000 0.436 699 E N 1.518 121.893 120.200 0.292 0.000 2.146 699 E HA 0.459 4.810 4.350 0.001 0.000 0.282 699 E C -1.876 175.110 176.600 0.643 0.000 0.989 699 E CA -0.362 56.288 56.400 0.417 0.000 0.799 699 E CB 1.836 31.715 29.700 0.298 0.000 1.088 699 E HN 0.703 nan 8.360 nan 0.000 0.397 700 Y N 3.393 123.965 120.300 0.453 0.000 2.409 700 Y HA 0.443 4.994 4.550 0.001 0.000 0.343 700 Y C -1.697 174.267 175.900 0.107 0.000 0.973 700 Y CA -1.441 56.856 58.100 0.328 0.000 1.064 700 Y CB 1.086 39.767 38.460 0.369 0.000 1.207 700 Y HN 0.419 nan 8.280 nan 0.000 0.452 701 L N 7.812 128.760 121.223 -0.458 0.000 2.319 701 L HA 0.601 4.942 4.340 0.001 0.000 0.281 701 L C -2.155 174.264 176.870 -0.752 0.000 1.005 701 L CA -0.811 53.605 54.840 -0.707 0.000 0.828 701 L CB 1.270 42.593 42.059 -1.226 0.000 1.227 701 L HN 0.660 nan 8.230 nan 0.000 0.415 702 L N 6.701 127.558 121.223 -0.609 0.000 2.305 702 L HA 0.694 5.035 4.340 0.001 0.000 0.284 702 L C -1.119 175.611 176.870 -0.233 0.000 1.013 702 L CA -0.027 54.487 54.840 -0.544 0.000 0.819 702 L CB 1.109 42.841 42.059 -0.544 0.000 1.227 702 L HN 0.583 nan 8.230 nan 0.000 0.417 703 I N 4.495 124.944 120.570 -0.202 0.000 2.608 703 I HA 0.485 4.656 4.170 0.001 0.000 0.295 703 I C -1.145 174.957 176.117 -0.026 0.000 1.049 703 I CA -0.775 60.466 61.300 -0.098 0.000 1.063 703 I CB 2.077 39.985 38.000 -0.153 0.000 1.248 703 I HN 0.698 nan 8.210 nan 0.000 0.424 704 H N 1.963 121.072 119.070 0.065 0.000 3.123 704 H HA 0.433 4.990 4.556 0.001 0.000 0.346 704 H C -0.430 175.128 175.328 0.384 0.000 1.138 704 H CA -0.579 55.559 56.048 0.149 0.000 1.273 704 H CB 1.929 31.702 29.762 0.018 0.000 1.926 704 H HN 0.766 nan 8.280 nan 0.000 0.524 705 G N 0.969 110.118 108.800 0.582 0.000 2.390 705 G HA2 0.224 4.184 3.960 0.001 0.000 0.270 705 G HA3 0.224 4.184 3.960 0.001 0.000 0.270 705 G C 1.149 176.348 174.900 0.498 0.000 1.211 705 G CA 0.140 45.541 45.100 0.503 0.000 0.842 705 G HN 0.744 nan 8.290 nan 0.000 0.519 706 T N -0.748 113.949 114.554 0.239 0.000 2.995 706 T HA 0.082 4.433 4.350 0.001 0.000 0.269 706 T C 1.684 176.366 174.700 -0.031 0.000 1.091 706 T CA 1.246 63.307 62.100 -0.065 0.000 1.128 706 T CB 0.156 68.907 68.868 -0.196 0.000 0.891 706 T HN 0.688 nan 8.240 nan 0.000 0.492 707 A N 1.077 123.940 122.820 0.071 0.000 2.684 707 A HA 0.315 4.636 4.320 0.001 0.000 0.288 707 A C 0.345 177.883 177.584 -0.076 0.000 1.337 707 A CA -0.525 51.511 52.037 -0.001 0.000 0.946 707 A CB -0.319 18.921 19.000 0.399 0.000 1.093 707 A HN 0.372 nan 8.150 nan 0.000 0.543 708 D N 1.450 121.837 120.400 -0.021 0.000 2.338 708 D HA 0.009 4.650 4.640 0.001 0.000 0.255 708 D C 0.345 176.611 176.300 -0.057 0.000 1.237 708 D CA 0.100 54.187 54.000 0.146 0.000 0.883 708 D CB 0.742 41.790 40.800 0.413 0.000 1.087 708 D HN 0.571 nan 8.370 nan 0.000 0.485 709 D N 2.327 122.749 120.400 0.037 0.000 2.348 709 D HA -0.123 4.518 4.640 0.001 0.000 0.211 709 D C 0.913 177.204 176.300 -0.014 0.000 0.998 709 D CA -0.126 53.856 54.000 -0.030 0.000 0.873 709 D CB 0.470 41.202 40.800 -0.114 0.000 0.925 709 D HN 0.214 nan 8.370 nan 0.000 0.524 710 N N 0.893 119.670 118.700 0.128 0.000 2.335 710 N HA -0.045 4.696 4.740 0.001 0.000 0.197 710 N C -0.017 175.430 175.510 -0.106 0.000 1.045 710 N CA 0.533 53.692 53.050 0.181 0.000 0.928 710 N CB 0.454 39.022 38.487 0.135 0.000 1.118 710 N HN -0.100 nan 8.380 nan 0.000 0.471 711 V N 3.976 123.830 119.914 -0.100 0.000 2.288 711 V HA 0.188 4.308 4.120 0.001 0.000 0.266 711 V C -0.618 175.529 176.094 0.088 0.000 1.048 711 V CA -0.672 61.614 62.300 -0.024 0.000 0.842 711 V CB 0.031 31.896 31.823 0.070 0.000 1.064 711 V HN 0.305 nan 8.190 nan 0.000 0.472 712 H N 3.442 122.496 119.070 -0.026 0.000 2.972 712 H HA -0.013 4.543 4.556 0.001 0.000 0.343 712 H C 0.886 176.079 175.328 -0.224 0.000 1.054 712 H CA -0.144 55.814 56.048 -0.150 0.000 1.412 712 H CB 0.502 30.094 29.762 -0.284 0.000 1.385 712 H HN 0.619 nan 8.280 nan 0.000 0.600 713 F N 2.031 121.783 119.950 -0.331 0.000 2.192 713 F HA -0.298 4.229 4.527 0.001 0.000 0.301 713 F C 2.588 178.115 175.800 -0.454 0.000 1.079 713 F CA 1.959 59.550 58.000 -0.683 0.000 1.303 713 F CB -0.077 38.707 39.000 -0.360 0.000 1.024 713 F HN 0.673 nan 8.300 nan 0.000 0.494 714 Q N 0.204 119.890 119.800 -0.191 0.000 2.142 714 Q HA -0.345 3.995 4.340 0.001 0.000 0.213 714 Q C 2.112 177.901 176.000 -0.353 0.000 1.004 714 Q CA 2.529 58.169 55.803 -0.272 0.000 0.883 714 Q CB -0.420 28.114 28.738 -0.341 0.000 0.939 714 Q HN 0.594 nan 8.270 nan 0.000 0.413 715 Q N -0.396 119.236 119.800 -0.280 0.000 2.096 715 Q HA -0.139 4.202 4.340 0.001 0.000 0.204 715 Q C 2.256 178.163 176.000 -0.155 0.000 0.982 715 Q CA 1.796 57.552 55.803 -0.079 0.000 0.850 715 Q CB -0.132 28.623 28.738 0.029 0.000 0.901 715 Q HN 0.345 nan 8.270 nan 0.000 0.422 716 S N 0.483 115.966 115.700 -0.362 0.000 2.414 716 S HA 0.025 4.495 4.470 0.001 0.000 0.227 716 S C 2.016 176.361 174.600 -0.426 0.000 1.022 716 S CA 0.643 58.622 58.200 -0.369 0.000 0.958 716 S CB -0.041 62.899 63.200 -0.433 0.000 0.797 716 S HN 0.465 nan 8.310 nan 0.000 0.493 717 A N 1.357 123.847 122.820 -0.549 0.000 1.972 717 A HA -0.130 4.191 4.320 0.001 0.000 0.219 717 A C 2.110 179.603 177.584 -0.151 0.000 1.169 717 A CA 1.143 53.001 52.037 -0.299 0.000 0.635 717 A CB -0.372 18.526 19.000 -0.170 0.000 0.810 717 A HN 0.354 nan 8.150 nan 0.000 0.446 718 Q N -0.525 119.198 119.800 -0.129 0.000 2.187 718 Q HA 0.037 4.378 4.340 0.001 0.000 0.199 718 Q C 2.110 178.063 176.000 -0.079 0.000 0.957 718 Q CA 0.834 56.611 55.803 -0.043 0.000 0.857 718 Q CB -0.269 28.523 28.738 0.089 0.000 0.929 718 Q HN 0.776 nan 8.270 nan 0.000 0.453 719 I N 1.137 121.630 120.570 -0.129 0.000 2.142 719 I HA -0.283 3.887 4.170 0.001 0.000 0.240 719 I C 2.532 178.483 176.117 -0.276 0.000 1.078 719 I CA 1.525 62.704 61.300 -0.201 0.000 1.343 719 I CB -0.483 37.397 38.000 -0.201 0.000 1.046 719 I HN 0.189 nan 8.210 nan 0.000 0.405 720 S N 0.943 116.495 115.700 -0.245 0.000 2.370 720 S HA -0.292 4.179 4.470 0.001 0.000 0.226 720 S C 2.027 176.604 174.600 -0.039 0.000 1.033 720 S CA 1.580 59.667 58.200 -0.188 0.000 1.011 720 S CB -0.491 62.761 63.200 0.087 0.000 0.852 720 S HN 0.377 nan 8.310 nan 0.000 0.457 721 K N 1.709 122.089 120.400 -0.033 0.000 2.097 721 K HA 0.028 4.349 4.320 0.001 0.000 0.206 721 K C 2.271 178.859 176.600 -0.020 0.000 1.049 721 K CA 1.145 57.431 56.287 -0.002 0.000 0.933 721 K CB -0.663 31.833 32.500 -0.007 0.000 0.717 721 K HN 0.458 nan 8.250 nan 0.000 0.442 722 A N 0.979 123.758 122.820 -0.069 0.000 1.930 722 A HA -0.085 4.235 4.320 0.001 0.000 0.217 722 A C 2.068 179.600 177.584 -0.086 0.000 1.175 722 A CA 1.169 53.160 52.037 -0.076 0.000 0.627 722 A CB -0.513 18.424 19.000 -0.106 0.000 0.815 722 A HN 0.311 nan 8.150 nan 0.000 0.443 723 L N -0.717 120.415 121.223 -0.153 0.000 2.056 723 L HA -0.133 4.208 4.340 0.001 0.000 0.207 723 L C 2.519 179.429 176.870 0.067 0.000 1.078 723 L CA 0.930 55.699 54.840 -0.119 0.000 0.749 723 L CB -0.581 41.276 42.059 -0.336 0.000 0.901 723 L HN 0.231 nan 8.230 nan 0.000 0.433 724 V N -0.048 119.940 119.914 0.123 0.000 2.343 724 V HA -0.297 3.824 4.120 0.001 0.000 0.247 724 V C 2.059 178.196 176.094 0.071 0.000 1.051 724 V CA 1.907 64.288 62.300 0.135 0.000 1.036 724 V CB -0.533 31.366 31.823 0.126 0.000 0.654 724 V HN 0.441 nan 8.190 nan 0.000 0.451 725 D N 0.342 120.766 120.400 0.041 0.000 2.221 725 D HA -0.115 4.526 4.640 0.001 0.000 0.204 725 D C 1.742 178.059 176.300 0.029 0.000 0.982 725 D CA 1.729 55.745 54.000 0.027 0.000 0.857 725 D CB -0.149 40.659 40.800 0.013 0.000 0.934 725 D HN 0.570 nan 8.370 nan 0.000 0.475 726 V N -3.647 116.286 119.914 0.032 0.000 3.444 726 V HA 0.508 4.628 4.120 0.001 0.000 0.308 726 V C 1.232 177.359 176.094 0.055 0.000 1.371 726 V CA 0.219 62.541 62.300 0.038 0.000 1.141 726 V CB -0.117 31.727 31.823 0.035 0.000 1.037 726 V HN 0.144 nan 8.190 nan 0.000 0.433 727 G N 0.327 109.166 108.800 0.065 0.000 2.246 727 G HA2 -0.185 3.776 3.960 0.001 0.000 0.273 727 G HA3 -0.185 3.776 3.960 0.001 0.000 0.273 727 G C -0.037 174.923 174.900 0.100 0.000 1.055 727 G CA 0.444 45.589 45.100 0.075 0.000 0.851 727 G HN 1.499 nan 8.290 nan 0.000 0.500 728 V N -0.253 119.742 119.914 0.135 0.000 2.398 728 V HA 0.674 4.794 4.120 0.001 0.000 0.286 728 V C 0.158 176.417 176.094 0.275 0.000 1.026 728 V CA -0.539 61.870 62.300 0.181 0.000 0.868 728 V CB 1.700 33.629 31.823 0.176 0.000 0.982 728 V HN 0.358 nan 8.190 nan 0.000 0.443 729 D N 5.475 126.011 120.400 0.227 0.000 2.304 729 D HA 0.588 5.228 4.640 0.001 0.000 0.247 729 D C -0.558 175.943 176.300 0.335 0.000 1.089 729 D CA 0.270 54.380 54.000 0.183 0.000 0.910 729 D CB 0.926 41.783 40.800 0.095 0.000 1.199 729 D HN 0.593 nan 8.370 nan 0.000 0.426 730 F N -0.416 119.605 119.950 0.118 0.000 2.773 730 F HA 0.459 4.987 4.527 0.001 0.000 0.314 730 F C -1.580 174.270 175.800 0.083 0.000 1.160 730 F CA -1.179 56.913 58.000 0.152 0.000 0.920 730 F CB 0.778 39.900 39.000 0.204 0.000 1.323 730 F HN 0.058 nan 8.300 nan 0.000 0.457 731 Q N 1.531 121.431 119.800 0.167 0.000 2.245 731 Q HA 0.821 5.162 4.340 0.001 0.000 0.256 731 Q C -0.754 175.271 176.000 0.041 0.000 0.942 731 Q CA -0.690 55.113 55.803 -0.000 0.000 0.896 731 Q CB 1.888 30.621 28.738 -0.008 0.000 1.272 731 Q HN 1.042 nan 8.270 nan 0.000 0.442 732 A N 1.737 124.544 122.820 -0.021 0.000 2.556 732 A HA 0.867 5.187 4.320 0.001 0.000 0.294 732 A C -1.339 176.200 177.584 -0.075 0.000 1.091 732 A CA -0.591 51.464 52.037 0.029 0.000 0.704 732 A CB 1.951 21.054 19.000 0.172 0.000 1.300 732 A HN 0.608 nan 8.150 nan 0.000 0.406 733 M N 1.275 120.811 119.600 -0.108 0.000 2.274 733 M HA 0.565 5.046 4.480 0.001 0.000 0.272 733 M C -2.043 174.110 176.300 -0.245 0.000 1.053 733 M CA -0.599 54.480 55.300 -0.368 0.000 0.978 733 M CB 1.052 33.351 32.600 -0.501 0.000 1.836 733 M HN 0.948 nan 8.290 nan 0.000 0.484 734 W N 4.095 125.238 121.300 -0.261 0.000 2.516 734 W HA 0.782 5.442 4.660 0.001 0.000 0.343 734 W C -1.952 174.311 176.519 -0.428 0.000 1.094 734 W CA -0.879 56.399 57.345 -0.112 0.000 1.250 734 W CB 0.373 29.824 29.460 -0.015 0.000 1.308 734 W HN 0.623 nan 8.180 nan 0.000 0.588 735 Y N 2.155 122.585 120.300 0.217 0.000 2.388 735 Y HA 0.295 4.846 4.550 0.001 0.000 0.328 735 Y C 0.504 176.509 175.900 0.175 0.000 0.963 735 Y CA -1.004 57.138 58.100 0.070 0.000 1.240 735 Y CB 1.645 40.125 38.460 0.034 0.000 1.118 735 Y HN 0.411 nan 8.280 nan 0.000 0.484 736 T N 4.655 119.366 114.554 0.262 0.000 2.831 736 T HA -0.030 4.320 4.350 0.001 0.000 0.291 736 T C 0.151 174.915 174.700 0.107 0.000 0.981 736 T CA 0.616 62.818 62.100 0.170 0.000 1.174 736 T CB -0.140 68.769 68.868 0.070 0.000 0.929 736 T HN 0.723 nan 8.240 nan 0.000 0.532 737 D N 0.952 121.382 120.400 0.050 0.000 3.077 737 D HA -0.123 4.517 4.640 0.001 0.000 0.217 737 D C 0.273 176.674 176.300 0.168 0.000 1.162 737 D CA 1.143 55.095 54.000 -0.081 0.000 0.943 737 D CB -0.374 40.194 40.800 -0.387 0.000 1.122 737 D HN 0.543 nan 8.370 nan 0.000 0.413 738 E N 0.817 121.150 120.200 0.221 0.000 2.277 738 E HA 0.339 4.690 4.350 0.001 0.000 0.274 738 E C 0.760 177.539 176.600 0.298 0.000 1.022 738 E CA -0.315 56.240 56.400 0.259 0.000 0.853 738 E CB 1.228 31.073 29.700 0.242 0.000 1.086 738 E HN 0.332 nan 8.360 nan 0.000 0.397 739 D N -0.359 120.231 120.400 0.317 0.000 2.511 739 D HA -0.005 4.636 4.640 0.001 0.000 0.283 739 D C 1.083 177.615 176.300 0.386 0.000 1.198 739 D CA -0.149 54.062 54.000 0.352 0.000 1.097 739 D CB -0.219 40.817 40.800 0.393 0.000 1.160 739 D HN 0.404 nan 8.370 nan 0.000 0.589 740 H N -1.604 117.648 119.070 0.303 0.000 2.489 740 H HA 0.097 4.654 4.556 0.001 0.000 0.293 740 H C 1.868 177.449 175.328 0.421 0.000 1.066 740 H CA 2.063 58.310 56.048 0.333 0.000 1.305 740 H CB -0.360 29.587 29.762 0.308 0.000 1.386 740 H HN 0.488 nan 8.280 nan 0.000 0.551 741 G N -0.405 108.586 108.800 0.318 0.000 2.683 741 G HA2 0.019 3.980 3.960 0.001 0.000 0.213 741 G HA3 0.019 3.980 3.960 0.001 0.000 0.213 741 G C 0.678 175.765 174.900 0.311 0.000 1.142 741 G CA 0.277 45.493 45.100 0.194 0.000 0.793 741 G HN 0.508 nan 8.290 nan 0.000 0.534 742 I N 0.120 120.885 120.570 0.324 0.000 6.272 742 I HA -0.337 3.833 4.170 0.001 0.000 0.126 742 I C 1.684 177.924 176.117 0.206 0.000 1.619 742 I CA 0.150 61.591 61.300 0.234 0.000 2.452 742 I CB -1.274 36.849 38.000 0.205 0.000 3.064 742 I HN 0.273 nan 8.210 nan 0.000 0.279 743 A N 0.875 123.789 122.820 0.157 0.000 2.220 743 A HA 0.189 4.510 4.320 0.001 0.000 0.211 743 A C 1.309 178.931 177.584 0.064 0.000 1.176 743 A CA 0.662 52.749 52.037 0.083 0.000 0.834 743 A CB 0.084 19.106 19.000 0.036 0.000 0.868 743 A HN 0.676 nan 8.150 nan 0.000 0.488 744 S N 0.066 115.822 115.700 0.093 0.000 2.558 744 S HA 0.083 4.554 4.470 0.001 0.000 0.287 744 S C 1.224 175.874 174.600 0.082 0.000 1.321 744 S CA 0.364 58.614 58.200 0.083 0.000 1.048 744 S CB 0.881 64.138 63.200 0.096 0.000 0.844 744 S HN 0.635 nan 8.310 nan 0.000 0.512 745 S N 2.461 118.199 115.700 0.063 0.000 2.365 745 S HA -0.205 4.266 4.470 0.001 0.000 0.225 745 S C 2.051 176.708 174.600 0.095 0.000 1.039 745 S CA 2.265 60.508 58.200 0.072 0.000 1.033 745 S CB -1.658 61.566 63.200 0.040 0.000 0.887 745 S HN 1.070 nan 8.310 nan 0.000 0.447 746 T N -0.151 114.447 114.554 0.073 0.000 2.777 746 T HA 0.184 4.535 4.350 0.001 0.000 0.266 746 T C 2.049 176.793 174.700 0.072 0.000 1.040 746 T CA 1.315 63.457 62.100 0.070 0.000 1.141 746 T CB -1.061 67.841 68.868 0.056 0.000 0.868 746 T HN 0.511 nan 8.240 nan 0.000 0.444 747 A N 1.563 124.406 122.820 0.037 0.000 1.902 747 A HA -0.119 4.202 4.320 0.001 0.000 0.217 747 A C 2.217 179.734 177.584 -0.112 0.000 1.181 747 A CA 2.105 54.084 52.037 -0.095 0.000 0.623 747 A CB -1.267 17.650 19.000 -0.139 0.000 0.818 747 A HN 0.761 nan 8.150 nan 0.000 0.443 748 H N -0.093 118.946 119.070 -0.052 0.000 2.319 748 H HA -0.139 4.418 4.556 0.001 0.000 0.299 748 H C 2.098 177.479 175.328 0.088 0.000 1.092 748 H CA 2.352 58.426 56.048 0.044 0.000 1.302 748 H CB -0.235 29.563 29.762 0.060 0.000 1.373 748 H HN 0.586 nan 8.280 nan 0.000 0.497 749 Q N -1.059 118.726 119.800 -0.026 0.000 2.119 749 Q HA -0.178 4.163 4.340 0.001 0.000 0.201 749 Q C 2.183 178.158 176.000 -0.042 0.000 0.972 749 Q CA 1.266 57.012 55.803 -0.095 0.000 0.847 749 Q CB -0.170 28.556 28.738 -0.019 0.000 0.903 749 Q HN 0.645 nan 8.270 nan 0.000 0.433 750 H N 0.781 119.809 119.070 -0.070 0.000 2.357 750 H HA -0.052 4.505 4.556 0.001 0.000 0.301 750 H C 2.019 177.336 175.328 -0.018 0.000 1.082 750 H CA 1.187 57.230 56.048 -0.008 0.000 1.342 750 H CB 0.037 29.849 29.762 0.083 0.000 1.389 750 H HN 0.273 nan 8.280 nan 0.000 0.511 751 I N 0.108 120.644 120.570 -0.056 0.000 2.252 751 I HA -0.318 3.853 4.170 0.001 0.000 0.245 751 I C 1.762 177.664 176.117 -0.358 0.000 1.102 751 I CA 1.224 62.416 61.300 -0.179 0.000 1.385 751 I CB -0.265 37.446 38.000 -0.483 0.000 1.064 751 I HN 0.125 nan 8.210 nan 0.000 0.414 752 Y N 0.926 121.020 120.300 -0.344 0.000 2.352 752 Y HA -0.184 4.366 4.550 0.001 0.000 0.292 752 Y C 2.685 178.376 175.900 -0.348 0.000 1.136 752 Y CA 1.743 59.529 58.100 -0.524 0.000 1.227 752 Y CB -0.786 37.359 38.460 -0.525 0.000 0.991 752 Y HN 0.165 nan 8.280 nan 0.000 0.545 753 T N -1.721 112.743 114.554 -0.150 0.000 2.737 753 T HA -0.220 4.130 4.350 0.001 0.000 0.265 753 T C 1.565 176.095 174.700 -0.284 0.000 1.038 753 T CA 1.840 63.801 62.100 -0.233 0.000 1.144 753 T CB -0.446 68.288 68.868 -0.222 0.000 0.866 753 T HN 0.393 nan 8.240 nan 0.000 0.434 754 H N 0.809 119.723 119.070 -0.260 0.000 2.353 754 H HA 0.115 4.671 4.556 0.001 0.000 0.300 754 H C 2.150 177.453 175.328 -0.042 0.000 1.090 754 H CA 1.519 57.497 56.048 -0.116 0.000 1.327 754 H CB -0.246 29.445 29.762 -0.117 0.000 1.383 754 H HN 0.256 nan 8.280 nan 0.000 0.508 755 M N -0.962 118.569 119.600 -0.114 0.000 2.175 755 M HA -0.145 4.336 4.480 0.001 0.000 0.264 755 M C 2.387 178.806 176.300 0.199 0.000 1.063 755 M CA 1.378 56.625 55.300 -0.088 0.000 1.119 755 M CB 0.088 32.397 32.600 -0.486 0.000 1.377 755 M HN 0.192 nan 8.290 nan 0.000 0.415 756 S N -0.608 115.224 115.700 0.219 0.000 2.356 756 S HA -0.151 4.320 4.470 0.001 0.000 0.223 756 S C 1.695 176.403 174.600 0.181 0.000 1.032 756 S CA 1.017 59.442 58.200 0.374 0.000 1.005 756 S CB -0.557 62.855 63.200 0.355 0.000 0.867 756 S HN 0.461 nan 8.310 nan 0.000 0.449 757 H N 0.050 119.184 119.070 0.108 0.000 2.352 757 H HA -0.054 4.502 4.556 0.001 0.000 0.299 757 H C 1.966 177.305 175.328 0.018 0.000 1.097 757 H CA 1.325 57.391 56.048 0.030 0.000 1.311 757 H CB -0.823 28.908 29.762 -0.052 0.000 1.377 757 H HN 0.433 nan 8.280 nan 0.000 0.504 758 F N 1.289 121.229 119.950 -0.017 0.000 2.075 758 F HA -0.194 4.334 4.527 0.001 0.000 0.297 758 F C 2.314 178.072 175.800 -0.070 0.000 1.113 758 F CA 0.964 58.924 58.000 -0.066 0.000 1.218 758 F CB -0.346 38.593 39.000 -0.101 0.000 0.984 758 F HN -0.040 nan 8.300 nan 0.000 0.472 759 I N 0.683 121.254 120.570 0.002 0.000 2.179 759 I HA -0.285 3.886 4.170 0.001 0.000 0.242 759 I C 2.269 178.172 176.117 -0.357 0.000 1.088 759 I CA 1.545 62.667 61.300 -0.296 0.000 1.357 759 I CB -1.363 36.541 38.000 -0.159 0.000 1.051 759 I HN 0.219 nan 8.210 nan 0.000 0.409 760 K N 0.404 120.752 120.400 -0.087 0.000 2.032 760 K HA -0.240 4.080 4.320 0.001 0.000 0.209 760 K C 2.088 178.678 176.600 -0.017 0.000 1.048 760 K CA 1.483 57.777 56.287 0.012 0.000 0.927 760 K CB -0.347 32.214 32.500 0.103 0.000 0.712 760 K HN 0.423 nan 8.250 nan 0.000 0.441 761 Q N 1.379 121.136 119.800 -0.071 0.000 2.061 761 Q HA -0.245 4.096 4.340 0.001 0.000 0.204 761 Q C 2.336 178.250 176.000 -0.143 0.000 0.984 761 Q CA 2.007 57.756 55.803 -0.091 0.000 0.846 761 Q CB -0.649 28.021 28.738 -0.114 0.000 0.902 761 Q HN 0.442 nan 8.270 nan 0.000 0.421 762 c N 0.257 118.659 118.600 -0.330 0.000 2.413 762 c HA -0.113 4.457 4.570 0.001 0.000 0.277 762 c C 2.135 176.235 174.090 0.017 0.000 1.265 762 c CA 0.517 56.660 56.329 -0.310 0.000 1.752 762 c CB -1.380 40.764 42.510 -0.611 0.000 1.998 762 c HN 0.611 nan 8.230 nan 0.000 0.489 763 F N 1.514 121.421 119.950 -0.072 0.000 2.732 763 F HA 0.255 4.783 4.527 0.001 0.000 0.303 763 F C 1.666 177.451 175.800 -0.026 0.000 1.110 763 F CA 0.392 58.372 58.000 -0.033 0.000 1.355 763 F CB -1.167 37.823 39.000 -0.018 0.000 1.081 763 F HN 0.229 nan 8.300 nan 0.000 0.565 764 S N 0.743 116.526 115.700 0.139 0.000 3.641 764 S HA -0.204 4.267 4.470 0.001 0.000 0.346 764 S C 0.040 174.685 174.600 0.075 0.000 1.074 764 S CA 0.123 58.368 58.200 0.075 0.000 1.026 764 S CB -2.118 61.114 63.200 0.054 0.000 0.908 764 S HN 0.239 nan 8.310 nan 0.000 0.479 765 L N 1.057 122.339 121.223 0.100 0.000 2.275 765 L HA 0.441 4.781 4.340 0.001 0.000 0.288 765 L C -1.402 175.514 176.870 0.076 0.000 1.046 765 L CA -2.121 52.773 54.840 0.090 0.000 0.805 765 L CB 0.439 42.571 42.059 0.122 0.000 1.193 765 L HN -0.000 nan 8.230 nan 0.000 0.426 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.136 63.100 0.060 0.000 0.800 766 P CB 0.000 31.729 31.700 0.049 0.000 0.726