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 2ajb_1_A DATA FIRST_RESID 39 DATA SEQUENCE SRRTYTLTDY LKSTFRVKFY TLQWISDHEY LYKQENNILL FNAEYGNSSI DATA SEQUENCE FLENSTFDEL GYSTNDYSVS PDRQFILFEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWITWS PVGHKLAYVW NNDIYVKNEP NLSSQRITWT DATA SEQUENCE GKENVIYNGV TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRIPYPK AGAENPTVKF FVVDTRTLSP NASVTSYQIV DATA SEQUENCE PPASVLIGDH YLCGVTWVTE ERISLQWIRR AQNYSIIDIC DYDESTGRWI DATA SEQUENCE SSVARQHIEI STTGWVGRFR PAEPHFTSDG NSFYKIISNE EGYKHIcHFQ DATA SEQUENCE TDKSNcTFIT KGAWEVIGIE ALTSDYLYYI SNEHKGMPGG RNLYRIQLND DATA SEQUENCE YTKVTCLSCE LNPERcQYYS ASFSNKAKYY QLRcFGPGLP LYTLHSSSSD DATA SEQUENCE KELRVLEDNS ALDKMLQDVQ MPSKKLDVIN LHGTKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLIEVYA GPCSQKVDTV FRLSWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE ATRQFSKMGF VDDKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGAGSGVFK cGIAVAPVSK WEYYDSVYTE RYMGLPTPED NLDYYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ LSKALVDAGV DFQTMWYTDE DATA SEQUENCE DHGIASNMAH QHIYTHMSHF LKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.640 174.600 0.067 0.000 1.055 39 S CA 0.000 58.248 58.200 0.081 0.000 1.107 39 S CB 0.000 63.258 63.200 0.096 0.000 0.593 40 R N 1.920 122.456 120.500 0.059 0.000 2.320 40 R HA 0.087 4.093 4.340 -0.556 0.000 0.218 40 R C -0.041 176.284 176.300 0.042 0.000 0.694 40 R CA 0.104 56.222 56.100 0.029 0.000 0.936 40 R CB 0.378 30.690 30.300 0.020 0.000 1.574 40 R HN 0.787 nan 8.270 nan 0.000 0.463 41 R N 0.136 120.679 120.500 0.072 0.000 2.720 41 R HA 0.686 4.693 4.340 -0.556 0.000 0.272 41 R C -0.090 176.278 176.300 0.113 0.000 0.991 41 R CA -0.400 55.754 56.100 0.091 0.000 1.010 41 R CB 1.137 31.502 30.300 0.107 0.000 1.141 41 R HN -0.098 nan 8.270 nan 0.000 0.494 42 T N -1.640 112.989 114.554 0.125 0.000 2.930 42 T HA 0.247 4.263 4.350 -0.556 0.000 0.290 42 T C -0.826 173.993 174.700 0.198 0.000 1.052 42 T CA -0.798 61.392 62.100 0.150 0.000 1.017 42 T CB 0.928 69.870 68.868 0.123 0.000 1.137 42 T HN 0.539 nan 8.240 nan 0.000 0.511 43 Y N 3.005 123.354 120.300 0.081 0.000 2.605 43 Y HA 0.352 4.568 4.550 -0.557 0.000 0.336 43 Y C 0.933 176.969 175.900 0.228 0.000 1.111 43 Y CA 0.072 58.228 58.100 0.093 0.000 1.422 43 Y CB -0.223 38.227 38.460 -0.016 0.000 1.193 43 Y HN 0.994 nan 8.280 nan 0.000 0.526 44 T N 2.761 117.227 114.554 -0.147 0.000 2.936 44 T HA 0.201 4.217 4.350 -0.556 0.000 0.282 44 T C 0.857 175.445 174.700 -0.188 0.000 1.003 44 T CA -0.839 61.266 62.100 0.009 0.000 1.005 44 T CB 1.334 70.220 68.868 0.030 0.000 1.097 44 T HN 0.648 nan 8.240 nan 0.000 0.532 45 L N 0.900 121.911 121.223 -0.352 0.000 2.131 45 L HA 0.030 4.037 4.340 -0.556 0.000 0.210 45 L C 2.546 179.286 176.870 -0.216 0.000 1.092 45 L CA 2.050 56.550 54.840 -0.566 0.000 0.759 45 L CB -1.343 40.178 42.059 -0.897 0.000 0.903 45 L HN 0.958 nan 8.230 nan 0.000 0.435 46 T N -0.793 113.661 114.554 -0.165 0.000 2.812 46 T HA -0.128 3.889 4.350 -0.556 0.000 0.264 46 T C 1.476 176.122 174.700 -0.089 0.000 1.042 46 T CA 1.285 63.324 62.100 -0.103 0.000 1.140 46 T CB -0.259 68.570 68.868 -0.065 0.000 0.870 46 T HN 0.392 nan 8.240 nan 0.000 0.445 47 D N 0.317 120.648 120.400 -0.116 0.000 2.116 47 D HA -0.121 4.186 4.640 -0.556 0.000 0.193 47 D C 1.762 178.061 176.300 -0.002 0.000 0.998 47 D CA 1.245 55.210 54.000 -0.058 0.000 0.836 47 D CB -0.333 40.362 40.800 -0.176 0.000 0.951 47 D HN 0.433 nan 8.370 nan 0.000 0.449 48 Y N 1.365 121.532 120.300 -0.222 0.000 2.200 48 Y HA -0.069 4.147 4.550 -0.558 0.000 0.290 48 Y C 2.214 178.143 175.900 0.049 0.000 1.137 48 Y CA 1.053 59.188 58.100 0.058 0.000 1.163 48 Y CB -0.449 38.080 38.460 0.116 0.000 0.988 48 Y HN -0.100 nan 8.280 nan 0.000 0.518 49 L N -0.065 120.993 121.223 -0.275 0.000 2.156 49 L HA -0.141 3.865 4.340 -0.556 0.000 0.208 49 L C 1.782 178.551 176.870 -0.168 0.000 1.095 49 L CA 1.220 55.877 54.840 -0.305 0.000 0.770 49 L CB -0.342 41.616 42.059 -0.168 0.000 0.914 49 L HN 0.070 nan 8.230 nan 0.000 0.439 50 K N -0.505 119.831 120.400 -0.106 0.000 2.358 50 K HA 0.184 4.170 4.320 -0.556 0.000 0.197 50 K C 0.661 177.236 176.600 -0.042 0.000 1.025 50 K CA 0.035 56.283 56.287 -0.064 0.000 1.104 50 K CB 0.626 33.094 32.500 -0.052 0.000 0.855 50 K HN 0.029 nan 8.250 nan 0.000 0.531 51 S N 1.113 116.801 115.700 -0.020 0.000 3.631 51 S HA -0.148 3.988 4.470 -0.556 0.000 0.366 51 S C 1.296 175.937 174.600 0.067 0.000 0.993 51 S CA 1.010 59.248 58.200 0.063 0.000 1.167 51 S CB -1.886 61.325 63.200 0.018 0.000 0.909 51 S HN 0.624 nan 8.310 nan 0.000 0.478 52 T N -2.060 112.525 114.554 0.052 0.000 2.803 52 T HA -0.061 3.955 4.350 -0.556 0.000 0.269 52 T C 0.479 175.037 174.700 -0.237 0.000 1.052 52 T CA 1.017 63.042 62.100 -0.126 0.000 1.136 52 T CB -0.439 68.296 68.868 -0.221 0.000 0.864 52 T HN 0.451 nan 8.240 nan 0.000 0.467 53 F N 2.103 122.139 119.950 0.144 0.000 2.371 53 F HA 0.587 4.780 4.527 -0.557 0.000 0.363 53 F C 0.584 176.461 175.800 0.129 0.000 1.122 53 F CA -1.448 56.648 58.000 0.160 0.000 1.129 53 F CB 0.831 39.985 39.000 0.256 0.000 1.173 53 F HN -0.150 nan 8.300 nan 0.000 0.489 54 R N 2.475 123.080 120.500 0.174 0.000 2.234 54 R HA 0.477 4.483 4.340 -0.556 0.000 0.324 54 R C -1.342 175.029 176.300 0.119 0.000 1.054 54 R CA -0.313 55.848 56.100 0.102 0.000 0.912 54 R CB 0.694 30.998 30.300 0.005 0.000 1.030 54 R HN 0.467 nan 8.270 nan 0.000 0.455 55 V N 6.349 126.341 119.914 0.129 0.000 2.318 55 V HA 0.275 4.061 4.120 -0.556 0.000 0.271 55 V C 0.219 176.327 176.094 0.023 0.000 1.030 55 V CA -0.563 61.830 62.300 0.156 0.000 0.844 55 V CB 0.978 32.972 31.823 0.286 0.000 1.015 55 V HN 0.708 nan 8.190 nan 0.000 0.460 56 K N 4.668 125.042 120.400 -0.042 0.000 2.126 56 K HA 0.657 4.644 4.320 -0.556 0.000 0.257 56 K C -0.540 175.975 176.600 -0.141 0.000 1.007 56 K CA -0.124 56.023 56.287 -0.235 0.000 0.928 56 K CB 0.910 33.319 32.500 -0.152 0.000 1.013 56 K HN 0.582 nan 8.250 nan 0.000 0.473 57 F N -1.210 118.657 119.950 -0.138 0.000 2.824 57 F HA 0.502 4.695 4.527 -0.557 0.000 0.330 57 F C -1.399 174.073 175.800 -0.546 0.000 1.175 57 F CA -1.446 56.243 58.000 -0.517 0.000 0.974 57 F CB 0.671 39.553 39.000 -0.196 0.000 1.430 57 F HN 0.353 nan 8.300 nan 0.000 0.507 58 Y N 0.676 120.590 120.300 -0.643 0.000 2.400 58 Y HA 0.534 4.750 4.550 -0.556 0.000 0.335 58 Y C -1.164 174.685 175.900 -0.084 0.000 1.066 58 Y CA -0.958 56.983 58.100 -0.264 0.000 1.285 58 Y CB 1.274 39.454 38.460 -0.467 0.000 1.103 58 Y HN 0.742 nan 8.280 nan 0.000 0.490 59 T N 7.257 121.942 114.554 0.219 0.000 2.744 59 T HA 0.603 4.619 4.350 -0.556 0.000 0.291 59 T C -0.563 174.239 174.700 0.170 0.000 0.957 59 T CA -0.381 61.809 62.100 0.149 0.000 1.002 59 T CB 0.321 69.225 68.868 0.061 0.000 0.919 59 T HN 0.527 nan 8.240 nan 0.000 0.468 60 L N 1.655 122.894 121.223 0.028 0.000 2.283 60 L HA 0.806 4.812 4.340 -0.556 0.000 0.259 60 L C -0.657 176.150 176.870 -0.106 0.000 1.027 60 L CA -1.090 53.693 54.840 -0.096 0.000 0.828 60 L CB 1.445 43.072 42.059 -0.721 0.000 1.380 60 L HN 0.412 nan 8.230 nan 0.000 0.425 61 Q N 0.462 120.237 119.800 -0.041 0.000 2.337 61 Q HA 0.368 4.374 4.340 -0.556 0.000 0.260 61 Q C -1.852 174.201 176.000 0.089 0.000 0.982 61 Q CA -0.245 55.587 55.803 0.048 0.000 0.734 61 Q CB 1.346 30.175 28.738 0.151 0.000 1.272 61 Q HN 0.628 nan 8.270 nan 0.000 0.461 62 W N 3.910 125.335 121.300 0.209 0.000 2.170 62 W HA 0.101 4.427 4.660 -0.556 0.000 0.342 62 W C 1.281 177.893 176.519 0.155 0.000 1.294 62 W CA -0.096 57.374 57.345 0.209 0.000 1.246 62 W CB 0.455 30.033 29.460 0.196 0.000 1.156 62 W HN 0.651 nan 8.180 nan 0.000 0.572 63 I N -0.471 120.322 120.570 0.370 0.000 4.442 63 I HA 0.341 4.178 4.170 -0.556 0.000 0.331 63 I C 0.336 176.565 176.117 0.186 0.000 1.364 63 I CA -0.227 61.200 61.300 0.213 0.000 1.207 63 I CB -0.071 37.984 38.000 0.092 0.000 1.298 63 I HN 0.274 nan 8.210 nan 0.000 0.463 64 S N 0.499 116.342 115.700 0.238 0.000 2.757 64 S HA 0.266 4.402 4.470 -0.556 0.000 0.285 64 S C -0.229 174.513 174.600 0.236 0.000 1.196 64 S CA 0.098 58.412 58.200 0.189 0.000 0.856 64 S CB 1.184 64.436 63.200 0.086 0.000 1.212 64 S HN 0.210 nan 8.310 nan 0.000 0.516 65 D N -0.086 120.477 120.400 0.272 0.000 2.363 65 D HA 0.003 4.310 4.640 -0.556 0.000 0.220 65 D C 0.983 177.516 176.300 0.388 0.000 0.994 65 D CA 1.225 55.374 54.000 0.249 0.000 0.890 65 D CB -0.485 40.448 40.800 0.222 0.000 0.906 65 D HN 0.805 nan 8.370 nan 0.000 0.530 66 H N -1.766 117.445 119.070 0.235 0.000 3.043 66 H HA 0.454 4.676 4.556 -0.556 0.000 0.244 66 H C -0.985 174.462 175.328 0.199 0.000 1.199 66 H CA -0.565 55.597 56.048 0.191 0.000 0.956 66 H CB -0.689 29.139 29.762 0.110 0.000 2.305 66 H HN 0.077 nan 8.280 nan 0.000 0.665 67 E N 1.112 121.371 120.200 0.098 0.000 2.343 67 E HA 0.394 4.411 4.350 -0.556 0.000 0.278 67 E C -1.627 175.109 176.600 0.227 0.000 0.910 67 E CA -1.112 55.287 56.400 -0.002 0.000 0.757 67 E CB 2.800 32.374 29.700 -0.209 0.000 1.218 67 E HN 0.292 nan 8.360 nan 0.000 0.435 68 Y N -0.083 120.223 120.300 0.010 0.000 2.581 68 Y HA 0.683 4.900 4.550 -0.556 0.000 0.345 68 Y C -1.657 174.254 175.900 0.017 0.000 1.036 68 Y CA -1.498 56.528 58.100 -0.123 0.000 1.042 68 Y CB 0.955 39.028 38.460 -0.647 0.000 1.289 68 Y HN 0.366 nan 8.280 nan 0.000 0.471 69 L N 3.461 124.876 121.223 0.319 0.000 2.307 69 L HA 0.477 4.483 4.340 -0.556 0.000 0.284 69 L C -1.414 175.756 176.870 0.500 0.000 1.023 69 L CA -0.936 54.077 54.840 0.289 0.000 0.810 69 L CB 1.513 43.635 42.059 0.106 0.000 1.231 69 L HN 0.779 nan 8.230 nan 0.000 0.423 70 Y N 3.106 123.637 120.300 0.385 0.000 2.386 70 Y HA 0.343 4.559 4.550 -0.556 0.000 0.334 70 Y C -0.629 175.412 175.900 0.235 0.000 1.002 70 Y CA -1.091 57.179 58.100 0.284 0.000 1.068 70 Y CB 1.528 40.162 38.460 0.290 0.000 1.203 70 Y HN 0.431 nan 8.280 nan 0.000 0.443 71 K N 4.937 125.138 120.400 -0.332 0.000 2.297 71 K HA 0.220 4.206 4.320 -0.556 0.000 0.286 71 K C -0.865 175.337 176.600 -0.663 0.000 1.053 71 K CA -0.384 55.730 56.287 -0.287 0.000 0.940 71 K CB 0.891 33.339 32.500 -0.087 0.000 1.019 71 K HN 0.730 nan 8.250 nan 0.000 0.475 72 Q N 3.365 122.988 119.800 -0.295 0.000 2.294 72 Q HA 0.082 4.088 4.340 -0.556 0.000 0.264 72 Q C -1.246 174.713 176.000 -0.069 0.000 0.992 72 Q CA -0.182 55.501 55.803 -0.200 0.000 0.747 72 Q CB 0.920 29.701 28.738 0.071 0.000 1.262 72 Q HN 0.686 nan 8.270 nan 0.000 0.452 73 E N 3.428 123.579 120.200 -0.082 0.000 2.553 73 E HA -0.375 3.642 4.350 -0.556 0.000 0.264 73 E C -0.044 176.535 176.600 -0.035 0.000 1.068 73 E CA 0.759 57.131 56.400 -0.047 0.000 0.774 73 E CB -1.579 28.113 29.700 -0.014 0.000 1.349 73 E HN 1.063 nan 8.360 nan 0.000 0.404 74 N N -0.385 118.280 118.700 -0.059 0.000 2.984 74 N HA -0.216 4.191 4.740 -0.556 0.000 0.227 74 N C -0.888 174.689 175.510 0.112 0.000 0.903 74 N CA 1.370 54.401 53.050 -0.032 0.000 0.995 74 N CB -0.763 37.706 38.487 -0.030 0.000 1.065 74 N HN 0.524 nan 8.380 nan 0.000 0.585 75 N N 0.610 119.356 118.700 0.078 0.000 2.284 75 N HA 0.475 4.882 4.740 -0.556 0.000 0.300 75 N C -0.455 175.095 175.510 0.066 0.000 1.047 75 N CA -0.677 52.442 53.050 0.115 0.000 0.821 75 N CB 1.132 39.650 38.487 0.052 0.000 1.337 75 N HN 0.131 nan 8.380 nan 0.000 0.482 76 I N 1.875 122.484 120.570 0.065 0.000 2.471 76 I HA 0.068 3.904 4.170 -0.556 0.000 0.294 76 I C -0.236 175.941 176.117 0.100 0.000 1.123 76 I CA -0.183 61.139 61.300 0.037 0.000 1.336 76 I CB -0.242 37.703 38.000 -0.092 0.000 1.430 76 I HN 0.344 nan 8.210 nan 0.000 0.533 77 L N 6.692 127.991 121.223 0.126 0.000 2.343 77 L HA 0.431 4.437 4.340 -0.556 0.000 0.275 77 L C -0.265 176.628 176.870 0.038 0.000 1.056 77 L CA -0.895 53.967 54.840 0.036 0.000 0.804 77 L CB 1.545 43.572 42.059 -0.054 0.000 1.203 77 L HN 0.442 nan 8.230 nan 0.000 0.440 78 L N 2.680 123.850 121.223 -0.088 0.000 2.257 78 L HA 0.505 4.511 4.340 -0.556 0.000 0.290 78 L C -1.081 175.617 176.870 -0.287 0.000 1.044 78 L CA 0.389 55.183 54.840 -0.077 0.000 0.810 78 L CB 0.394 42.480 42.059 0.044 0.000 1.193 78 L HN 0.194 nan 8.230 nan 0.000 0.425 79 F N 3.687 123.439 119.950 -0.330 0.000 2.458 79 F HA 0.445 4.638 4.527 -0.556 0.000 0.330 79 F C 0.571 176.062 175.800 -0.514 0.000 1.082 79 F CA -0.456 57.234 58.000 -0.515 0.000 0.995 79 F CB 1.377 39.759 39.000 -1.030 0.000 1.170 79 F HN 0.545 nan 8.300 nan 0.000 0.478 80 N N 1.824 120.456 118.700 -0.112 0.000 2.437 80 N HA 0.291 4.697 4.740 -0.556 0.000 0.259 80 N C 0.400 175.828 175.510 -0.138 0.000 0.983 80 N CA 0.029 53.032 53.050 -0.078 0.000 0.937 80 N CB 1.818 40.362 38.487 0.095 0.000 1.122 80 N HN 0.782 nan 8.380 nan 0.000 0.499 81 A N 4.453 127.141 122.820 -0.219 0.000 1.933 81 A HA -0.177 3.810 4.320 -0.556 0.000 0.218 81 A C 1.709 179.019 177.584 -0.456 0.000 1.175 81 A CA 1.491 53.346 52.037 -0.303 0.000 0.628 81 A CB -0.329 18.412 19.000 -0.431 0.000 0.814 81 A HN 0.868 nan 8.150 nan 0.000 0.444 82 E N -1.329 118.529 120.200 -0.571 0.000 2.031 82 E HA -0.209 3.807 4.350 -0.556 0.000 0.193 82 E C 1.691 178.032 176.600 -0.432 0.000 0.994 82 E CA 1.695 57.773 56.400 -0.537 0.000 0.800 82 E CB -0.389 28.857 29.700 -0.756 0.000 0.752 82 E HN 0.819 nan 8.360 nan 0.000 0.447 83 Y N -0.878 119.415 120.300 -0.012 0.000 2.503 83 Y HA 0.296 4.512 4.550 -0.556 0.000 0.277 83 Y C 1.997 177.904 175.900 0.012 0.000 1.102 83 Y CA 0.351 58.454 58.100 0.006 0.000 1.261 83 Y CB 0.410 38.878 38.460 0.012 0.000 1.096 83 Y HN 0.224 nan 8.280 nan 0.000 0.546 84 G N 0.472 109.358 108.800 0.143 0.000 2.241 84 G HA2 -0.319 3.307 3.960 -0.556 0.000 0.244 84 G HA3 -0.319 3.307 3.960 -0.556 0.000 0.244 84 G C 0.164 175.180 174.900 0.193 0.000 0.998 84 G CA 0.111 45.302 45.100 0.153 0.000 0.621 84 G HN 0.472 nan 8.290 nan 0.000 0.519 85 N N 1.060 119.851 118.700 0.151 0.000 2.492 85 N HA 0.464 4.870 4.740 -0.556 0.000 0.260 85 N C 0.081 175.568 175.510 -0.039 0.000 1.215 85 N CA 0.890 53.977 53.050 0.061 0.000 0.923 85 N CB 1.420 39.930 38.487 0.040 0.000 1.092 85 N HN 0.991 nan 8.380 nan 0.000 0.448 86 S N 0.024 115.615 115.700 -0.181 0.000 2.667 86 S HA 0.769 4.905 4.470 -0.556 0.000 0.292 86 S C -0.353 174.078 174.600 -0.281 0.000 1.126 86 S CA -0.689 57.251 58.200 -0.433 0.000 0.881 86 S CB 1.436 63.942 63.200 -1.157 0.000 1.132 86 S HN 0.943 nan 8.310 nan 0.000 0.492 87 S N 0.064 115.600 115.700 -0.273 0.000 2.851 87 S HA 0.758 4.894 4.470 -0.556 0.000 0.313 87 S C -0.913 173.612 174.600 -0.124 0.000 1.163 87 S CA -1.070 57.042 58.200 -0.148 0.000 0.850 87 S CB 0.219 63.371 63.200 -0.081 0.000 1.245 87 S HN 0.768 nan 8.310 nan 0.000 0.558 88 I N 1.005 121.537 120.570 -0.064 0.000 2.392 88 I HA 0.436 4.273 4.170 -0.556 0.000 0.295 88 I C -0.142 175.991 176.117 0.026 0.000 0.985 88 I CA -0.458 60.825 61.300 -0.028 0.000 1.221 88 I CB 1.374 39.345 38.000 -0.050 0.000 1.366 88 I HN 0.763 nan 8.210 nan 0.000 0.467 89 F N 5.742 125.642 119.950 -0.084 0.000 2.592 89 F HA 0.454 4.647 4.527 -0.556 0.000 0.280 89 F C 0.173 175.921 175.800 -0.086 0.000 1.083 89 F CA 0.201 58.159 58.000 -0.071 0.000 1.365 89 F CB 0.790 39.757 39.000 -0.054 0.000 1.100 89 F HN 0.167 nan 8.300 nan 0.000 0.633 90 L N 1.825 123.083 121.223 0.057 0.000 2.676 90 L HA 0.213 4.219 4.340 -0.556 0.000 0.262 90 L C -1.055 175.735 176.870 -0.134 0.000 0.965 90 L CA -0.525 54.256 54.840 -0.099 0.000 0.920 90 L CB 1.738 43.728 42.059 -0.116 0.000 1.260 90 L HN -0.034 nan 8.230 nan 0.000 0.422 91 E N 2.128 122.239 120.200 -0.149 0.000 2.414 91 E HA 0.005 4.022 4.350 -0.556 0.000 0.263 91 E C -0.152 176.367 176.600 -0.136 0.000 1.000 91 E CA -0.238 56.096 56.400 -0.109 0.000 0.914 91 E CB 0.579 30.221 29.700 -0.096 0.000 0.948 91 E HN 0.493 nan 8.360 nan 0.000 0.444 92 N N 1.322 120.015 118.700 -0.012 0.000 2.441 92 N HA -0.073 4.333 4.740 -0.556 0.000 0.251 92 N C 0.153 175.664 175.510 0.000 0.000 1.242 92 N CA 0.541 53.654 53.050 0.104 0.000 0.898 92 N CB 0.987 39.539 38.487 0.108 0.000 1.100 92 N HN 0.637 nan 8.380 nan 0.000 0.443 93 S N -1.788 113.925 115.700 0.021 0.000 1.513 93 S HA -0.222 3.914 4.470 -0.556 0.000 0.248 93 S C 1.067 175.599 174.600 -0.114 0.000 0.861 93 S CA 0.576 58.757 58.200 -0.033 0.000 1.179 93 S CB -2.598 60.577 63.200 -0.042 0.000 1.374 93 S HN 0.583 nan 8.310 nan 0.000 0.512 94 T N 1.835 116.226 114.554 -0.270 0.000 3.072 94 T HA 0.312 4.328 4.350 -0.556 0.000 0.266 94 T C 0.083 174.505 174.700 -0.463 0.000 1.127 94 T CA 0.849 62.713 62.100 -0.392 0.000 1.107 94 T CB -0.481 68.037 68.868 -0.584 0.000 0.910 94 T HN 0.492 nan 8.240 nan 0.000 0.513 95 F N 2.921 122.737 119.950 -0.224 0.000 2.404 95 F HA 0.285 4.478 4.527 -0.555 0.000 0.359 95 F C 0.126 175.813 175.800 -0.188 0.000 1.134 95 F CA -1.830 56.003 58.000 -0.277 0.000 1.160 95 F CB 0.508 39.348 39.000 -0.266 0.000 1.186 95 F HN -0.023 nan 8.300 nan 0.000 0.526 96 D N 4.133 124.526 120.400 -0.012 0.000 2.551 96 D HA 0.012 4.319 4.640 -0.556 0.000 0.294 96 D C 0.134 176.397 176.300 -0.063 0.000 1.201 96 D CA -0.195 53.784 54.000 -0.034 0.000 0.941 96 D CB 0.419 41.198 40.800 -0.035 0.000 0.995 96 D HN 0.536 nan 8.370 nan 0.000 0.502 97 E N 0.881 121.040 120.200 -0.069 0.000 1.201 97 E HA -0.238 3.778 4.350 -0.556 0.000 0.175 97 E C -0.398 176.116 176.600 -0.143 0.000 0.872 97 E CA 0.504 56.842 56.400 -0.104 0.000 0.434 97 E CB -1.262 28.383 29.700 -0.091 0.000 1.045 97 E HN 0.547 nan 8.360 nan 0.000 0.245 98 L N 1.521 122.614 121.223 -0.217 0.000 2.565 98 L HA 0.176 4.182 4.340 -0.556 0.000 0.275 98 L C 1.878 178.480 176.870 -0.447 0.000 1.137 98 L CA 0.778 55.410 54.840 -0.347 0.000 0.915 98 L CB -0.116 41.651 42.059 -0.487 0.000 1.232 98 L HN 0.737 nan 8.230 nan 0.000 0.473 99 G N 2.672 111.347 108.800 -0.208 0.000 5.206 99 G HA2 -0.397 3.229 3.960 -0.556 0.000 0.328 99 G HA3 -0.397 3.229 3.960 -0.556 0.000 0.328 99 G C 0.453 175.390 174.900 0.061 0.000 1.382 99 G CA 0.835 45.932 45.100 -0.006 0.000 0.994 99 G HN 0.483 nan 8.290 nan 0.000 0.800 100 Y N 0.486 120.732 120.300 -0.090 0.000 2.763 100 Y HA 0.689 4.905 4.550 -0.556 0.000 0.230 100 Y C 1.539 177.388 175.900 -0.084 0.000 1.030 100 Y CA 1.010 59.083 58.100 -0.044 0.000 1.462 100 Y CB 0.328 38.800 38.460 0.021 0.000 1.299 100 Y HN 0.882 nan 8.280 nan 0.000 0.491 101 S N -1.845 113.928 115.700 0.123 0.000 2.627 101 S HA 0.320 4.456 4.470 -0.556 0.000 0.268 101 S C -1.439 173.151 174.600 -0.018 0.000 1.130 101 S CA -0.716 57.472 58.200 -0.020 0.000 0.819 101 S CB 0.857 64.034 63.200 -0.039 0.000 1.100 101 S HN 0.052 nan 8.310 nan 0.000 0.465 102 T N 3.715 118.185 114.554 -0.140 0.000 2.782 102 T HA 0.221 4.237 4.350 -0.556 0.000 0.298 102 T C 1.263 175.893 174.700 -0.116 0.000 0.944 102 T CA -0.381 61.646 62.100 -0.122 0.000 1.001 102 T CB -0.315 68.346 68.868 -0.344 0.000 0.932 102 T HN 0.591 nan 8.240 nan 0.000 0.524 103 N N 2.703 121.378 118.700 -0.041 0.000 2.336 103 N HA 0.011 4.418 4.740 -0.556 0.000 0.189 103 N C -0.374 175.101 175.510 -0.058 0.000 1.113 103 N CA 0.005 53.001 53.050 -0.091 0.000 0.858 103 N CB 0.471 38.868 38.487 -0.149 0.000 0.970 103 N HN 0.517 nan 8.380 nan 0.000 0.471 104 D N -0.755 119.664 120.400 0.032 0.000 2.898 104 D HA 0.164 4.471 4.640 -0.556 0.000 0.254 104 D C -1.737 174.714 176.300 0.252 0.000 1.107 104 D CA -0.587 53.452 54.000 0.064 0.000 0.729 104 D CB 0.324 41.151 40.800 0.047 0.000 1.734 104 D HN 0.152 nan 8.370 nan 0.000 0.452 105 Y N 0.087 120.544 120.300 0.262 0.000 2.633 105 Y HA 0.875 5.092 4.550 -0.556 0.000 0.339 105 Y C -0.985 175.112 175.900 0.328 0.000 1.045 105 Y CA -1.148 57.186 58.100 0.391 0.000 1.098 105 Y CB 2.035 40.792 38.460 0.495 0.000 1.296 105 Y HN 0.218 nan 8.280 nan 0.000 0.494 106 S N 1.593 117.684 115.700 0.651 0.000 2.706 106 S HA 0.542 4.678 4.470 -0.556 0.000 0.270 106 S C -1.873 173.158 174.600 0.718 0.000 1.163 106 S CA -0.615 57.925 58.200 0.567 0.000 1.042 106 S CB 0.418 63.863 63.200 0.408 0.000 1.079 106 S HN 0.727 nan 8.310 nan 0.000 0.474 107 V N 5.026 125.250 119.914 0.518 0.000 2.583 107 V HA 0.449 4.235 4.120 -0.556 0.000 0.287 107 V C 0.916 176.957 176.094 -0.089 0.000 1.051 107 V CA -0.419 62.048 62.300 0.280 0.000 1.010 107 V CB 1.453 33.364 31.823 0.148 0.000 0.988 107 V HN 0.993 nan 8.190 nan 0.000 0.478 108 S N 6.488 121.773 115.700 -0.691 0.000 2.579 108 S HA 0.210 4.346 4.470 -0.556 0.000 0.275 108 S C -1.198 173.135 174.600 -0.444 0.000 1.345 108 S CA -0.793 56.592 58.200 -1.357 0.000 1.031 108 S CB 0.864 63.001 63.200 -1.772 0.000 0.892 108 S HN 0.652 nan 8.310 nan 0.000 0.529 109 P HA -0.175 nan 4.420 nan 0.000 0.216 109 P C 0.654 177.919 177.300 -0.058 0.000 1.150 109 P CA 1.668 64.711 63.100 -0.095 0.000 0.843 109 P CB -0.341 31.325 31.700 -0.056 0.000 0.787 110 D N -0.968 119.388 120.400 -0.073 0.000 2.352 110 D HA -0.076 4.230 4.640 -0.556 0.000 0.232 110 D C 0.624 176.931 176.300 0.011 0.000 1.055 110 D CA -0.169 53.825 54.000 -0.011 0.000 0.891 110 D CB -0.844 39.966 40.800 0.018 0.000 0.897 110 D HN 0.072 nan 8.370 nan 0.000 0.529 111 R N -1.210 119.290 120.500 0.001 0.000 3.946 111 R HA -0.271 3.736 4.340 -0.556 0.000 0.329 111 R C 0.895 177.205 176.300 0.016 0.000 1.209 111 R CA 1.280 57.431 56.100 0.084 0.000 0.909 111 R CB -2.258 28.145 30.300 0.172 0.000 1.355 111 R HN 0.373 nan 8.270 nan 0.000 0.539 112 Q N -1.001 118.753 119.800 -0.076 0.000 2.354 112 Q HA 0.157 4.163 4.340 -0.556 0.000 0.203 112 Q C 0.070 175.686 176.000 -0.640 0.000 0.933 112 Q CA 0.803 56.407 55.803 -0.332 0.000 0.901 112 Q CB 0.369 28.909 28.738 -0.330 0.000 1.007 112 Q HN 0.234 nan 8.270 nan 0.000 0.495 113 F N -0.811 119.030 119.950 -0.182 0.000 2.691 113 F HA 0.603 4.797 4.527 -0.556 0.000 0.334 113 F C -0.589 175.212 175.800 0.002 0.000 1.107 113 F CA -1.325 56.605 58.000 -0.116 0.000 0.991 113 F CB 1.677 40.594 39.000 -0.138 0.000 1.400 113 F HN -0.243 nan 8.300 nan 0.000 0.503 114 I N 1.512 122.332 120.570 0.418 0.000 2.731 114 I HA 0.329 4.166 4.170 -0.556 0.000 0.289 114 I C -1.987 174.291 176.117 0.269 0.000 1.399 114 I CA -0.388 61.148 61.300 0.394 0.000 1.048 114 I CB 1.302 39.462 38.000 0.266 0.000 1.345 114 I HN 0.408 nan 8.210 nan 0.000 0.425 115 L N 7.005 128.500 121.223 0.453 0.000 2.375 115 L HA 0.463 4.469 4.340 -0.556 0.000 0.271 115 L C -1.053 176.011 176.870 0.323 0.000 1.107 115 L CA -0.276 54.709 54.840 0.241 0.000 0.806 115 L CB 1.129 43.273 42.059 0.143 0.000 1.146 115 L HN 0.493 nan 8.230 nan 0.000 0.447 116 F N 1.472 121.659 119.950 0.396 0.000 2.460 116 F HA 0.295 4.488 4.527 -0.556 0.000 0.341 116 F C 0.243 176.203 175.800 0.268 0.000 1.130 116 F CA -0.824 57.401 58.000 0.376 0.000 0.962 116 F CB 1.802 41.027 39.000 0.375 0.000 1.171 116 F HN 0.477 nan 8.300 nan 0.000 0.436 117 E N 5.215 125.633 120.200 0.363 0.000 2.174 117 E HA 0.365 4.381 4.350 -0.556 0.000 0.282 117 E C -1.587 175.016 176.600 0.005 0.000 0.992 117 E CA -0.472 55.875 56.400 -0.088 0.000 0.803 117 E CB 1.113 30.841 29.700 0.046 0.000 1.090 117 E HN 0.594 nan 8.360 nan 0.000 0.396 118 Y N 1.865 122.024 120.300 -0.235 0.000 2.670 118 Y HA 0.445 4.661 4.550 -0.556 0.000 0.334 118 Y C -0.107 175.685 175.900 -0.180 0.000 1.185 118 Y CA -1.293 56.729 58.100 -0.130 0.000 1.053 118 Y CB 0.831 39.265 38.460 -0.044 0.000 1.298 118 Y HN 0.614 nan 8.280 nan 0.000 0.459 119 N N -0.632 118.083 118.700 0.026 0.000 2.882 119 N HA -0.281 4.125 4.740 -0.556 0.000 0.249 119 N C -1.050 174.342 175.510 -0.197 0.000 1.079 119 N CA 0.753 53.686 53.050 -0.194 0.000 0.800 119 N CB -1.633 36.730 38.487 -0.207 0.000 1.124 119 N HN 0.849 nan 8.380 nan 0.000 0.557 120 Y N 0.194 120.338 120.300 -0.260 0.000 2.895 120 Y HA 0.195 4.410 4.550 -0.558 0.000 0.334 120 Y C 0.130 175.910 175.900 -0.201 0.000 1.261 120 Y CA 0.570 58.520 58.100 -0.250 0.000 1.560 120 Y CB 0.487 38.766 38.460 -0.303 0.000 1.253 120 Y HN -0.032 nan 8.280 nan 0.000 0.582 121 V N 7.979 127.638 119.914 -0.426 0.000 2.516 121 V HA 0.130 3.916 4.120 -0.556 0.000 0.271 121 V C -0.139 175.751 176.094 -0.341 0.000 0.992 121 V CA -1.382 60.779 62.300 -0.232 0.000 0.857 121 V CB 0.995 32.715 31.823 -0.172 0.000 1.047 121 V HN 0.776 nan 8.190 nan 0.000 0.455 122 K N 2.937 123.214 120.400 -0.206 0.000 2.508 122 K HA 0.050 4.037 4.320 -0.556 0.000 0.273 122 K C 0.500 176.993 176.600 -0.178 0.000 0.964 122 K CA 0.837 57.071 56.287 -0.088 0.000 0.948 122 K CB 1.006 33.624 32.500 0.197 0.000 0.917 122 K HN 0.793 nan 8.250 nan 0.000 0.512 123 Q N 1.486 121.146 119.800 -0.233 0.000 1.845 123 Q HA 0.169 4.175 4.340 -0.556 0.000 0.152 123 Q C -0.231 175.595 176.000 -0.290 0.000 0.453 123 Q CA -0.491 54.967 55.803 -0.575 0.000 0.693 123 Q CB 0.297 28.485 28.738 -0.917 0.000 0.936 123 Q HN 0.724 nan 8.270 nan 0.000 0.323 124 W N 0.456 121.753 121.300 -0.004 0.000 2.342 124 W HA 0.405 4.728 4.660 -0.561 0.000 0.530 124 W C 1.528 178.035 176.519 -0.019 0.000 1.880 124 W CA -0.643 56.726 57.345 0.039 0.000 2.052 124 W CB 0.134 29.582 29.460 -0.020 0.000 2.206 124 W HN 0.328 nan 8.180 nan 0.000 0.741 125 R N -0.430 120.176 120.500 0.178 0.000 2.103 125 R HA -0.195 3.811 4.340 -0.556 0.000 0.242 125 R C 1.650 177.798 176.300 -0.254 0.000 1.142 125 R CA 2.170 58.193 56.100 -0.129 0.000 0.960 125 R CB -0.444 29.631 30.300 -0.375 0.000 0.858 125 R HN 0.502 nan 8.270 nan 0.000 0.439 126 H N -1.063 118.090 119.070 0.138 0.000 2.594 126 H HA 0.194 4.418 4.556 -0.554 0.000 0.274 126 H C 0.628 176.031 175.328 0.126 0.000 0.982 126 H CA 0.513 56.656 56.048 0.158 0.000 1.228 126 H CB -0.041 29.783 29.762 0.103 0.000 1.447 126 H HN 0.217 nan 8.280 nan 0.000 0.485 127 S N 1.522 117.221 115.700 -0.000 0.000 2.573 127 S HA 0.272 4.408 4.470 -0.556 0.000 0.277 127 S C -0.264 174.137 174.600 -0.332 0.000 1.346 127 S CA -0.303 57.562 58.200 -0.557 0.000 1.034 127 S CB 0.320 62.750 63.200 -1.283 0.000 0.879 127 S HN 0.488 nan 8.310 nan 0.000 0.528 128 Y N -2.746 117.272 120.300 -0.470 0.000 2.721 128 Y HA 0.524 4.739 4.550 -0.558 0.000 0.357 128 Y C -0.821 174.926 175.900 -0.255 0.000 1.183 128 Y CA -0.851 56.983 58.100 -0.444 0.000 1.231 128 Y CB 0.110 38.155 38.460 -0.691 0.000 1.390 128 Y HN 0.940 nan 8.280 nan 0.000 0.488 129 T N 0.343 114.878 114.554 -0.031 0.000 2.952 129 T HA 1.040 5.056 4.350 -0.556 0.000 0.286 129 T C -0.198 174.526 174.700 0.041 0.000 1.024 129 T CA -0.022 62.097 62.100 0.032 0.000 1.029 129 T CB 1.802 70.652 68.868 -0.030 0.000 1.094 129 T HN 1.945 nan 8.240 nan 0.000 0.515 130 A N 0.747 123.591 122.820 0.041 0.000 2.493 130 A HA 0.789 4.775 4.320 -0.556 0.000 0.300 130 A C -0.786 176.622 177.584 -0.295 0.000 1.152 130 A CA -0.973 50.953 52.037 -0.184 0.000 0.643 130 A CB 1.032 19.869 19.000 -0.270 0.000 1.316 130 A HN 0.857 nan 8.150 nan 0.000 0.469 131 S N -0.809 114.464 115.700 -0.712 0.000 2.513 131 S HA 0.800 4.936 4.470 -0.556 0.000 0.299 131 S C -1.740 172.168 174.600 -1.152 0.000 1.087 131 S CA -0.131 57.617 58.200 -0.754 0.000 1.012 131 S CB 0.885 63.579 63.200 -0.844 0.000 1.044 131 S HN 0.451 nan 8.310 nan 0.000 0.485 132 Y N 0.410 120.443 120.300 -0.445 0.000 2.512 132 Y HA 0.535 4.751 4.550 -0.557 0.000 0.348 132 Y C -0.358 175.533 175.900 -0.015 0.000 0.990 132 Y CA -1.030 56.936 58.100 -0.224 0.000 1.033 132 Y CB 1.506 39.826 38.460 -0.233 0.000 1.259 132 Y HN 0.449 nan 8.280 nan 0.000 0.461 133 D N 2.127 122.727 120.400 0.333 0.000 2.498 133 D HA 0.508 4.815 4.640 -0.556 0.000 0.247 133 D C -0.877 175.534 176.300 0.186 0.000 1.070 133 D CA -0.297 53.892 54.000 0.314 0.000 0.842 133 D CB 2.134 43.234 40.800 0.500 0.000 1.361 133 D HN 0.388 nan 8.370 nan 0.000 0.484 134 I N 2.271 122.915 120.570 0.124 0.000 2.339 134 I HA 0.239 4.076 4.170 -0.556 0.000 0.290 134 I C -0.813 175.409 176.117 0.175 0.000 0.994 134 I CA -0.995 60.377 61.300 0.120 0.000 1.191 134 I CB 1.112 39.158 38.000 0.076 0.000 1.343 134 I HN 0.240 nan 8.210 nan 0.000 0.458 135 Y N 6.112 126.394 120.300 -0.031 0.000 2.334 135 Y HA 0.244 4.460 4.550 -0.556 0.000 0.336 135 Y C 0.085 176.007 175.900 0.037 0.000 0.960 135 Y CA -0.751 57.327 58.100 -0.038 0.000 1.164 135 Y CB 0.886 39.203 38.460 -0.238 0.000 1.155 135 Y HN 0.523 nan 8.280 nan 0.000 0.478 136 D N 6.574 126.766 120.400 -0.348 0.000 2.363 136 D HA -0.004 4.302 4.640 -0.556 0.000 0.263 136 D C 0.824 176.715 176.300 -0.683 0.000 1.258 136 D CA 0.561 54.267 54.000 -0.491 0.000 0.907 136 D CB 0.920 41.500 40.800 -0.365 0.000 1.107 136 D HN 0.895 nan 8.370 nan 0.000 0.495 137 L N 3.971 124.880 121.223 -0.524 0.000 2.109 137 L HA -0.161 3.845 4.340 -0.556 0.000 0.207 137 L C 2.189 178.842 176.870 -0.362 0.000 1.086 137 L CA 0.424 55.053 54.840 -0.353 0.000 0.760 137 L CB -0.366 41.508 42.059 -0.309 0.000 0.910 137 L HN 0.411 nan 8.230 nan 0.000 0.437 138 N N 1.240 119.691 118.700 -0.414 0.000 2.004 138 N HA -0.208 4.198 4.740 -0.556 0.000 0.196 138 N C 1.539 176.892 175.510 -0.261 0.000 1.064 138 N CA 1.544 54.410 53.050 -0.307 0.000 0.855 138 N CB -0.433 37.869 38.487 -0.308 0.000 1.056 138 N HN 0.349 nan 8.380 nan 0.000 0.423 139 K N 0.956 121.187 120.400 -0.282 0.000 2.555 139 K HA 0.104 4.090 4.320 -0.556 0.000 0.193 139 K C -0.073 176.367 176.600 -0.267 0.000 1.032 139 K CA -0.030 56.119 56.287 -0.229 0.000 1.004 139 K CB 0.031 32.408 32.500 -0.205 0.000 0.804 139 K HN 0.195 nan 8.250 nan 0.000 0.496 140 R N 1.521 121.799 120.500 -0.370 0.000 3.225 140 R HA -0.222 3.785 4.340 -0.556 0.000 0.245 140 R C -0.630 175.350 176.300 -0.534 0.000 0.928 140 R CA 0.653 56.507 56.100 -0.409 0.000 0.632 140 R CB -1.794 28.460 30.300 -0.076 0.000 1.038 140 R HN 0.452 nan 8.270 nan 0.000 0.461 141 Q N -0.156 119.179 119.800 -0.775 0.000 2.445 141 Q HA 0.591 4.597 4.340 -0.556 0.000 0.281 141 Q C -0.603 175.094 176.000 -0.506 0.000 1.101 141 Q CA -1.093 54.444 55.803 -0.442 0.000 0.833 141 Q CB 2.078 30.683 28.738 -0.222 0.000 1.416 141 Q HN 0.239 nan 8.270 nan 0.000 0.451 142 L N 2.249 123.437 121.223 -0.059 0.000 2.277 142 L HA 0.358 4.365 4.340 -0.556 0.000 0.284 142 L C -0.998 175.914 176.870 0.069 0.000 1.028 142 L CA -0.887 54.032 54.840 0.132 0.000 0.835 142 L CB 0.655 42.871 42.059 0.263 0.000 1.215 142 L HN 0.564 nan 8.230 nan 0.000 0.425 143 I N 4.020 124.631 120.570 0.067 0.000 2.821 143 I HA -0.120 3.717 4.170 -0.556 0.000 0.294 143 I C 1.598 177.750 176.117 0.058 0.000 1.210 143 I CA 1.024 62.357 61.300 0.055 0.000 1.430 143 I CB 1.034 39.070 38.000 0.061 0.000 1.356 143 I HN 0.709 nan 8.210 nan 0.000 0.563 144 T N 1.920 116.497 114.554 0.038 0.000 2.971 144 T HA 0.188 4.204 4.350 -0.556 0.000 0.252 144 T C 0.425 175.137 174.700 0.019 0.000 1.022 144 T CA -0.355 61.767 62.100 0.036 0.000 0.980 144 T CB 0.081 68.969 68.868 0.034 0.000 1.044 144 T HN 0.544 nan 8.240 nan 0.000 0.501 145 E N 1.539 121.745 120.200 0.010 0.000 2.227 145 E HA 0.297 4.313 4.350 -0.556 0.000 0.268 145 E C -0.669 175.924 176.600 -0.012 0.000 0.990 145 E CA -0.591 55.809 56.400 -0.000 0.000 0.856 145 E CB 0.640 30.341 29.700 0.002 0.000 1.159 145 E HN 0.122 nan 8.360 nan 0.000 0.401 146 E N 0.780 120.966 120.200 -0.022 0.000 2.273 146 E HA -0.226 3.790 4.350 -0.556 0.000 0.177 146 E C -0.715 175.849 176.600 -0.061 0.000 1.511 146 E CA 0.679 57.056 56.400 -0.038 0.000 0.675 146 E CB -1.186 28.500 29.700 -0.022 0.000 1.094 146 E HN 0.488 nan 8.360 nan 0.000 0.348 147 R N 0.544 120.998 120.500 -0.077 0.000 2.543 147 R HA 0.437 4.444 4.340 -0.556 0.000 0.268 147 R C 1.073 177.252 176.300 -0.202 0.000 1.067 147 R CA -0.944 55.097 56.100 -0.099 0.000 1.142 147 R CB 0.707 30.975 30.300 -0.053 0.000 1.110 147 R HN 0.083 nan 8.270 nan 0.000 0.549 148 I N 2.577 122.993 120.570 -0.258 0.000 2.634 148 I HA 0.119 3.955 4.170 -0.556 0.000 0.284 148 I C -1.727 174.145 176.117 -0.410 0.000 1.124 148 I CA -2.457 58.553 61.300 -0.483 0.000 1.417 148 I CB -0.141 37.558 38.000 -0.502 0.000 1.396 148 I HN 0.357 nan 8.210 nan 0.000 0.571 149 P HA 0.071 nan 4.420 nan 0.000 0.271 149 P C -0.110 177.079 177.300 -0.184 0.000 1.244 149 P CA -0.380 62.417 63.100 -0.505 0.000 0.793 149 P CB 0.523 31.501 31.700 -1.203 0.000 0.984 150 N N 1.660 120.351 118.700 -0.015 0.000 2.515 150 N HA 0.028 4.434 4.740 -0.556 0.000 0.279 150 N C -0.451 175.194 175.510 0.224 0.000 1.164 150 N CA -0.222 52.868 53.050 0.067 0.000 0.982 150 N CB 0.072 38.607 38.487 0.080 0.000 1.170 150 N HN 0.370 nan 8.380 nan 0.000 0.474 151 N N 0.656 119.422 118.700 0.110 0.000 2.756 151 N HA -0.134 4.272 4.740 -0.556 0.000 0.248 151 N C -1.076 174.559 175.510 0.208 0.000 1.062 151 N CA 0.598 53.712 53.050 0.105 0.000 0.696 151 N CB -1.900 36.627 38.487 0.067 0.000 0.946 151 N HN 0.493 nan 8.380 nan 0.000 0.548 152 T N 0.801 115.490 114.554 0.226 0.000 2.794 152 T HA 0.154 4.170 4.350 -0.556 0.000 0.296 152 T C 1.715 176.550 174.700 0.224 0.000 0.949 152 T CA -0.141 62.124 62.100 0.275 0.000 1.101 152 T CB 1.372 70.341 68.868 0.168 0.000 0.905 152 T HN 0.171 nan 8.240 nan 0.000 0.516 153 Q N 2.350 122.283 119.800 0.221 0.000 2.096 153 Q HA 0.086 4.092 4.340 -0.556 0.000 0.197 153 Q C 0.316 176.498 176.000 0.303 0.000 0.964 153 Q CA 0.757 56.726 55.803 0.276 0.000 0.838 153 Q CB 0.555 29.448 28.738 0.259 0.000 0.906 153 Q HN 0.687 nan 8.270 nan 0.000 0.444 154 W N -0.316 120.962 121.300 -0.036 0.000 3.363 154 W HA 0.595 4.921 4.660 -0.557 0.000 0.306 154 W C -2.213 174.224 176.519 -0.137 0.000 1.253 154 W CA -0.770 56.501 57.345 -0.123 0.000 1.195 154 W CB 1.303 30.634 29.460 -0.214 0.000 1.366 154 W HN -0.051 nan 8.180 nan 0.000 0.551 155 I N 3.672 123.537 120.570 -1.175 0.000 2.918 155 I HA 0.634 4.471 4.170 -0.556 0.000 0.301 155 I C -1.685 173.835 176.117 -0.995 0.000 1.312 155 I CA -0.111 60.660 61.300 -0.881 0.000 1.007 155 I CB 2.582 39.979 38.000 -1.004 0.000 1.281 155 I HN 0.364 nan 8.210 nan 0.000 0.440 156 T N 4.467 118.725 114.554 -0.494 0.000 3.225 156 T HA 0.349 4.365 4.350 -0.556 0.000 0.356 156 T C -1.575 173.167 174.700 0.069 0.000 1.460 156 T CA -0.323 61.646 62.100 -0.219 0.000 1.126 156 T CB 0.467 69.380 68.868 0.076 0.000 1.321 156 T HN 0.568 nan 8.240 nan 0.000 0.478 157 W N 2.913 124.268 121.300 0.093 0.000 2.034 157 W HA 0.457 4.784 4.660 -0.555 0.000 0.357 157 W C 1.259 177.736 176.519 -0.070 0.000 1.326 157 W CA -0.579 56.789 57.345 0.038 0.000 1.318 157 W CB 0.520 29.991 29.460 0.018 0.000 1.193 157 W HN 0.782 nan 8.180 nan 0.000 0.620 158 S N 0.452 116.032 115.700 -0.200 0.000 2.632 158 S HA 0.239 4.376 4.470 -0.556 0.000 0.267 158 S C -1.980 172.448 174.600 -0.286 0.000 1.276 158 S CA -1.139 56.489 58.200 -0.952 0.000 0.998 158 S CB 1.086 63.446 63.200 -1.399 0.000 0.953 158 S HN 0.226 nan 8.310 nan 0.000 0.547 159 P HA 0.001 nan 4.420 nan 0.000 0.220 159 P C 0.282 177.542 177.300 -0.067 0.000 1.148 159 P CA 0.857 63.938 63.100 -0.032 0.000 0.803 159 P CB -0.156 31.548 31.700 0.005 0.000 0.782 160 V N -6.922 112.896 119.914 -0.159 0.000 3.074 160 V HA 0.881 4.667 4.120 -0.556 0.000 0.314 160 V C 0.729 176.695 176.094 -0.213 0.000 1.117 160 V CA -0.414 61.801 62.300 -0.141 0.000 1.014 160 V CB 0.860 32.610 31.823 -0.122 0.000 1.057 160 V HN 0.386 nan 8.190 nan 0.000 0.438 161 G N 1.530 110.217 108.800 -0.189 0.000 2.556 161 G HA2 -0.235 3.391 3.960 -0.556 0.000 0.283 161 G HA3 -0.235 3.391 3.960 -0.556 0.000 0.283 161 G C 0.342 175.098 174.900 -0.239 0.000 1.177 161 G CA 1.112 46.045 45.100 -0.278 0.000 0.978 161 G HN 2.546 nan 8.290 nan 0.000 0.554 162 H N -0.847 118.141 119.070 -0.136 0.000 3.346 162 H HA 0.353 4.575 4.556 -0.556 0.000 0.253 162 H C 0.417 175.817 175.328 0.119 0.000 1.204 162 H CA -0.050 55.923 56.048 -0.125 0.000 0.996 162 H CB -0.249 29.392 29.762 -0.203 0.000 2.713 162 H HN 0.526 nan 8.280 nan 0.000 0.690 163 K N 1.587 121.993 120.400 0.011 0.000 2.230 163 K HA 0.430 4.416 4.320 -0.556 0.000 0.253 163 K C -0.336 176.410 176.600 0.244 0.000 1.008 163 K CA -0.187 56.131 56.287 0.051 0.000 0.910 163 K CB 1.332 33.681 32.500 -0.252 0.000 0.994 163 K HN 0.133 nan 8.250 nan 0.000 0.495 164 L N 0.651 122.051 121.223 0.295 0.000 2.431 164 L HA 0.502 4.509 4.340 -0.556 0.000 0.266 164 L C -1.046 176.039 176.870 0.358 0.000 0.978 164 L CA -0.838 54.152 54.840 0.250 0.000 0.822 164 L CB 2.157 44.201 42.059 -0.025 0.000 1.310 164 L HN 0.716 nan 8.230 nan 0.000 0.409 165 A N 2.840 125.852 122.820 0.319 0.000 2.365 165 A HA 0.915 4.902 4.320 -0.556 0.000 0.318 165 A C -1.642 175.970 177.584 0.046 0.000 1.091 165 A CA -0.376 51.699 52.037 0.064 0.000 0.763 165 A CB 1.507 20.385 19.000 -0.204 0.000 1.248 165 A HN 0.681 nan 8.150 nan 0.000 0.442 166 Y N -1.111 119.136 120.300 -0.089 0.000 2.592 166 Y HA 0.666 4.882 4.550 -0.557 0.000 0.334 166 Y C -1.418 174.493 175.900 0.018 0.000 1.136 166 Y CA -1.425 56.607 58.100 -0.114 0.000 1.042 166 Y CB 0.630 38.952 38.460 -0.230 0.000 1.325 166 Y HN 0.472 nan 8.280 nan 0.000 0.457 167 V N 2.100 122.152 119.914 0.230 0.000 2.547 167 V HA 0.481 4.268 4.120 -0.556 0.000 0.299 167 V C -1.379 174.930 176.094 0.359 0.000 1.040 167 V CA -0.575 61.841 62.300 0.194 0.000 0.913 167 V CB 1.620 33.481 31.823 0.063 0.000 0.992 167 V HN 0.890 nan 8.190 nan 0.000 0.449 168 W N 4.571 125.930 121.300 0.098 0.000 3.423 168 W HA 0.420 4.748 4.660 -0.554 0.000 0.330 168 W C 0.058 176.599 176.519 0.036 0.000 1.102 168 W CA -0.591 56.776 57.345 0.036 0.000 1.261 168 W CB 0.989 30.396 29.460 -0.089 0.000 1.283 168 W HN 0.788 nan 8.180 nan 0.000 0.447 169 N N 5.680 124.053 118.700 -0.544 0.000 2.740 169 N HA -0.328 4.078 4.740 -0.556 0.000 0.248 169 N C 0.141 175.512 175.510 -0.231 0.000 1.062 169 N CA 1.055 53.781 53.050 -0.540 0.000 0.704 169 N CB -1.144 36.822 38.487 -0.868 0.000 0.968 169 N HN 0.889 nan 8.380 nan 0.000 0.547 170 N N -1.288 117.331 118.700 -0.135 0.000 2.741 170 N HA -0.172 4.234 4.740 -0.556 0.000 0.251 170 N C -1.337 174.127 175.510 -0.078 0.000 1.112 170 N CA 1.100 54.090 53.050 -0.099 0.000 0.750 170 N CB -0.261 38.108 38.487 -0.196 0.000 1.119 170 N HN 0.436 nan 8.380 nan 0.000 0.561 171 D N 0.166 120.556 120.400 -0.017 0.000 2.490 171 D HA 0.489 4.796 4.640 -0.556 0.000 0.232 171 D C 0.119 176.363 176.300 -0.093 0.000 1.053 171 D CA -0.407 53.529 54.000 -0.106 0.000 0.914 171 D CB 1.644 42.358 40.800 -0.145 0.000 1.431 171 D HN 0.002 nan 8.370 nan 0.000 0.483 172 I N 1.153 121.473 120.570 -0.417 0.000 2.440 172 I HA 0.285 4.121 4.170 -0.556 0.000 0.294 172 I C -0.774 174.895 176.117 -0.746 0.000 0.995 172 I CA -0.475 60.547 61.300 -0.463 0.000 1.306 172 I CB 0.637 38.276 38.000 -0.601 0.000 1.407 172 I HN 0.155 nan 8.210 nan 0.000 0.501 173 Y N 3.564 123.446 120.300 -0.697 0.000 2.492 173 Y HA 0.606 4.823 4.550 -0.557 0.000 0.346 173 Y C -0.468 175.067 175.900 -0.609 0.000 0.997 173 Y CA -0.955 56.668 58.100 -0.795 0.000 1.025 173 Y CB 2.077 39.702 38.460 -1.392 0.000 1.263 173 Y HN 0.105 nan 8.280 nan 0.000 0.454 174 V N 2.906 122.697 119.914 -0.205 0.000 2.588 174 V HA 0.502 4.289 4.120 -0.556 0.000 0.304 174 V C -0.801 175.334 176.094 0.068 0.000 1.042 174 V CA -1.391 60.895 62.300 -0.025 0.000 0.877 174 V CB 1.964 33.793 31.823 0.011 0.000 0.996 174 V HN 0.617 nan 8.190 nan 0.000 0.425 175 K N 3.141 123.627 120.400 0.144 0.000 2.507 175 K HA 0.408 4.394 4.320 -0.556 0.000 0.253 175 K C 0.217 176.896 176.600 0.131 0.000 0.969 175 K CA -0.338 56.024 56.287 0.124 0.000 0.908 175 K CB 1.411 33.982 32.500 0.118 0.000 1.127 175 K HN 0.628 nan 8.250 nan 0.000 0.437 176 N N 1.191 119.955 118.700 0.107 0.000 2.396 176 N HA -0.078 4.329 4.740 -0.556 0.000 0.180 176 N C -0.381 175.203 175.510 0.123 0.000 1.028 176 N CA 0.883 53.993 53.050 0.100 0.000 0.893 176 N CB 0.345 38.874 38.487 0.070 0.000 0.967 176 N HN 0.396 nan 8.380 nan 0.000 0.440 177 E N -1.260 118.991 120.200 0.084 0.000 2.292 177 E HA 0.200 4.217 4.350 -0.556 0.000 0.272 177 E C -1.947 174.612 176.600 -0.069 0.000 0.881 177 E CA -1.959 54.460 56.400 0.032 0.000 0.754 177 E CB 2.049 31.778 29.700 0.049 0.000 1.201 177 E HN -0.176 nan 8.360 nan 0.000 0.425 178 P HA -0.222 nan 4.420 nan 0.000 0.214 178 P C 1.111 178.352 177.300 -0.098 0.000 1.169 178 P CA 1.665 64.623 63.100 -0.236 0.000 0.908 178 P CB 0.238 31.635 31.700 -0.505 0.000 0.791 179 N N -0.646 118.017 118.700 -0.061 0.000 2.309 179 N HA -0.093 4.313 4.740 -0.556 0.000 0.182 179 N C 0.638 176.144 175.510 -0.007 0.000 1.018 179 N CA 0.749 53.790 53.050 -0.014 0.000 0.876 179 N CB -0.670 37.823 38.487 0.011 0.000 0.972 179 N HN 0.077 nan 8.380 nan 0.000 0.434 180 L N 1.708 122.929 121.223 -0.002 0.000 2.464 180 L HA 0.082 4.089 4.340 -0.556 0.000 0.264 180 L C 0.950 177.829 176.870 0.015 0.000 1.199 180 L CA 0.169 55.017 54.840 0.013 0.000 0.818 180 L CB 1.015 43.089 42.059 0.025 0.000 1.102 180 L HN 0.165 nan 8.230 nan 0.000 0.473 181 S N 1.167 116.880 115.700 0.021 0.000 2.572 181 S HA 0.106 4.242 4.470 -0.556 0.000 0.279 181 S C 0.398 175.025 174.600 0.044 0.000 1.341 181 S CA -0.353 57.863 58.200 0.026 0.000 1.043 181 S CB 0.521 63.737 63.200 0.026 0.000 0.887 181 S HN 0.724 nan 8.310 nan 0.000 0.516 182 S N 2.732 118.468 115.700 0.061 0.000 2.645 182 S HA 0.470 4.606 4.470 -0.556 0.000 0.266 182 S C -0.514 174.124 174.600 0.064 0.000 1.258 182 S CA -0.536 57.719 58.200 0.091 0.000 0.990 182 S CB 1.072 64.376 63.200 0.174 0.000 0.967 182 S HN 0.811 nan 8.310 nan 0.000 0.556 183 Q N 0.652 120.465 119.800 0.021 0.000 2.310 183 Q HA 0.394 4.401 4.340 -0.556 0.000 0.270 183 Q C -0.842 175.031 176.000 -0.212 0.000 1.025 183 Q CA -0.416 55.364 55.803 -0.039 0.000 0.772 183 Q CB 1.456 30.183 28.738 -0.020 0.000 1.253 183 Q HN 0.762 nan 8.270 nan 0.000 0.450 184 R N 4.722 125.027 120.500 -0.325 0.000 2.347 184 R HA 0.157 4.163 4.340 -0.556 0.000 0.304 184 R C 0.223 176.149 176.300 -0.623 0.000 1.072 184 R CA -0.103 55.499 56.100 -0.830 0.000 0.980 184 R CB 0.430 30.129 30.300 -1.002 0.000 0.986 184 R HN 0.761 nan 8.270 nan 0.000 0.448 185 I N 2.176 122.302 120.570 -0.740 0.000 2.628 185 I HA -0.039 3.797 4.170 -0.556 0.000 0.255 185 I C 1.143 176.993 176.117 -0.447 0.000 1.119 185 I CA 1.120 62.136 61.300 -0.474 0.000 1.448 185 I CB -0.546 37.155 38.000 -0.498 0.000 1.133 185 I HN 0.640 nan 8.210 nan 0.000 0.438 186 T N -4.027 110.117 114.554 -0.683 0.000 2.924 186 T HA 0.379 4.395 4.350 -0.556 0.000 0.291 186 T C -0.227 174.037 174.700 -0.727 0.000 1.045 186 T CA -0.546 61.267 62.100 -0.480 0.000 1.015 186 T CB 2.022 70.645 68.868 -0.408 0.000 1.103 186 T HN 0.156 nan 8.240 nan 0.000 0.496 187 W N -0.532 120.675 121.300 -0.154 0.000 2.942 187 W HA 0.168 4.494 4.660 -0.556 0.000 0.260 187 W C 2.484 178.963 176.519 -0.065 0.000 1.101 187 W CA 0.328 57.615 57.345 -0.097 0.000 1.436 187 W CB -0.473 28.940 29.460 -0.077 0.000 0.883 187 W HN 0.867 nan 8.180 nan 0.000 0.646 188 T N -1.244 113.377 114.554 0.113 0.000 3.077 188 T HA 0.030 4.046 4.350 -0.556 0.000 0.269 188 T C 1.400 176.103 174.700 0.006 0.000 1.146 188 T CA 0.665 62.804 62.100 0.065 0.000 1.091 188 T CB -0.864 68.042 68.868 0.064 0.000 0.892 188 T HN 0.096 nan 8.240 nan 0.000 0.533 189 G N 1.573 110.347 108.800 -0.042 0.000 2.151 189 G HA2 0.179 3.805 3.960 -0.556 0.000 0.269 189 G HA3 0.179 3.805 3.960 -0.556 0.000 0.269 189 G C -0.418 174.419 174.900 -0.104 0.000 1.069 189 G CA -0.274 44.773 45.100 -0.089 0.000 1.080 189 G HN 0.598 nan 8.290 nan 0.000 0.405 190 K N 2.404 122.719 120.400 -0.142 0.000 2.463 190 K HA 0.219 4.205 4.320 -0.556 0.000 0.255 190 K C 0.123 176.586 176.600 -0.228 0.000 0.942 190 K CA -0.750 55.454 56.287 -0.139 0.000 0.814 190 K CB 1.470 33.924 32.500 -0.075 0.000 1.122 190 K HN 0.599 nan 8.250 nan 0.000 0.425 191 E N 3.924 124.009 120.200 -0.191 0.000 2.558 191 E HA -0.162 3.854 4.350 -0.556 0.000 0.255 191 E C -0.498 176.026 176.600 -0.127 0.000 0.968 191 E CA 0.895 57.184 56.400 -0.185 0.000 0.939 191 E CB -0.012 29.617 29.700 -0.119 0.000 0.921 191 E HN 0.824 nan 8.360 nan 0.000 0.477 192 N N 1.762 120.391 118.700 -0.118 0.000 2.828 192 N HA -0.239 4.167 4.740 -0.556 0.000 0.248 192 N C 0.033 175.597 175.510 0.090 0.000 1.044 192 N CA 0.517 53.624 53.050 0.096 0.000 0.851 192 N CB -0.499 38.048 38.487 0.101 0.000 1.136 192 N HN 0.340 nan 8.380 nan 0.000 0.572 193 V N -0.985 118.884 119.914 -0.075 0.000 3.279 193 V HA 0.283 4.069 4.120 -0.556 0.000 0.213 193 V C 0.132 176.254 176.094 0.046 0.000 1.335 193 V CA 0.398 62.719 62.300 0.035 0.000 1.317 193 V CB 0.785 32.614 31.823 0.009 0.000 1.209 193 V HN 0.084 nan 8.190 nan 0.000 0.525 194 I N 1.004 121.495 120.570 -0.131 0.000 2.436 194 I HA 0.481 4.317 4.170 -0.556 0.000 0.289 194 I C -1.543 174.458 176.117 -0.193 0.000 1.010 194 I CA -0.519 60.769 61.300 -0.019 0.000 1.098 194 I CB 1.301 39.310 38.000 0.015 0.000 1.266 194 I HN 0.227 nan 8.210 nan 0.000 0.434 195 Y N 4.646 125.045 120.300 0.165 0.000 2.328 195 Y HA 0.433 4.648 4.550 -0.558 0.000 0.336 195 Y C 0.285 176.284 175.900 0.164 0.000 0.960 195 Y CA -0.797 57.401 58.100 0.165 0.000 1.134 195 Y CB 1.336 39.943 38.460 0.245 0.000 1.166 195 Y HN 0.405 nan 8.280 nan 0.000 0.464 196 N N 2.119 120.917 118.700 0.162 0.000 2.483 196 N HA 0.422 4.828 4.740 -0.556 0.000 0.267 196 N C 0.650 176.141 175.510 -0.032 0.000 0.998 196 N CA 0.318 53.414 53.050 0.077 0.000 0.918 196 N CB 1.965 40.397 38.487 -0.093 0.000 1.215 196 N HN 0.966 nan 8.380 nan 0.000 0.500 197 G N 0.563 109.365 108.800 0.003 0.000 2.254 197 G HA2 -0.266 3.360 3.960 -0.556 0.000 0.225 197 G HA3 -0.266 3.360 3.960 -0.556 0.000 0.225 197 G C -0.114 174.644 174.900 -0.236 0.000 1.003 197 G CA 0.391 45.406 45.100 -0.143 0.000 0.622 197 G HN 0.723 nan 8.290 nan 0.000 0.507 198 V N -0.699 119.118 119.914 -0.162 0.000 2.925 198 V HA 0.901 4.687 4.120 -0.556 0.000 0.311 198 V C 0.395 176.415 176.094 -0.123 0.000 1.104 198 V CA 0.077 62.130 62.300 -0.412 0.000 0.954 198 V CB 1.326 32.547 31.823 -1.002 0.000 1.022 198 V HN 1.206 nan 8.190 nan 0.000 0.427 199 T N 0.506 114.895 114.554 -0.274 0.000 2.813 199 T HA 0.394 4.411 4.350 -0.556 0.000 0.297 199 T C 0.033 174.401 174.700 -0.553 0.000 1.036 199 T CA 0.069 61.816 62.100 -0.589 0.000 1.044 199 T CB 0.814 69.504 68.868 -0.297 0.000 0.993 199 T HN 1.077 nan 8.240 nan 0.000 0.535 200 D N 0.094 119.962 120.400 -0.886 0.000 2.469 200 D HA 0.047 4.353 4.640 -0.556 0.000 0.278 200 D C 0.987 177.176 176.300 -0.185 0.000 1.231 200 D CA -1.047 52.497 54.000 -0.761 0.000 1.075 200 D CB -0.203 40.127 40.800 -0.782 0.000 1.121 200 D HN 0.684 nan 8.370 nan 0.000 0.571 201 W N -0.410 120.814 121.300 -0.127 0.000 2.358 201 W HA -0.141 4.191 4.660 -0.546 0.000 0.303 201 W C 2.084 178.502 176.519 -0.169 0.000 1.208 201 W CA 1.733 59.017 57.345 -0.100 0.000 1.274 201 W CB -0.310 29.053 29.460 -0.162 0.000 1.138 201 W HN 0.151 nan 8.180 nan 0.000 0.515 202 V N -0.319 119.619 119.914 0.040 0.000 2.591 202 V HA -0.241 3.546 4.120 -0.556 0.000 0.249 202 V C 1.716 177.619 176.094 -0.318 0.000 1.053 202 V CA 1.623 63.833 62.300 -0.151 0.000 1.068 202 V CB -0.620 31.154 31.823 -0.081 0.000 0.689 202 V HN 0.218 nan 8.190 nan 0.000 0.462 203 Y N 0.482 120.554 120.300 -0.381 0.000 2.314 203 Y HA -0.108 4.108 4.550 -0.557 0.000 0.293 203 Y C 2.524 178.248 175.900 -0.293 0.000 1.129 203 Y CA 1.863 59.718 58.100 -0.408 0.000 1.201 203 Y CB 0.005 38.116 38.460 -0.581 0.000 0.999 203 Y HN 0.347 nan 8.280 nan 0.000 0.541 204 E N 0.280 120.395 120.200 -0.141 0.000 2.028 204 E HA -0.271 3.745 4.350 -0.556 0.000 0.191 204 E C 1.987 178.507 176.600 -0.134 0.000 0.988 204 E CA 1.500 57.857 56.400 -0.072 0.000 0.799 204 E CB 0.039 29.714 29.700 -0.041 0.000 0.755 204 E HN 0.332 nan 8.360 nan 0.000 0.447 205 E N 0.281 120.205 120.200 -0.460 0.000 2.072 205 E HA -0.142 3.874 4.350 -0.556 0.000 0.190 205 E C 1.534 177.987 176.600 -0.246 0.000 0.982 205 E CA 1.371 57.493 56.400 -0.465 0.000 0.803 205 E CB 0.180 29.203 29.700 -1.128 0.000 0.755 205 E HN 0.221 nan 8.360 nan 0.000 0.453 206 E N -0.913 119.111 120.200 -0.294 0.000 2.473 206 E HA 0.111 4.127 4.350 -0.556 0.000 0.204 206 E C 1.485 177.924 176.600 -0.268 0.000 0.994 206 E CA 0.330 56.611 56.400 -0.198 0.000 0.945 206 E CB 1.156 30.722 29.700 -0.223 0.000 0.990 206 E HN 0.193 nan 8.360 nan 0.000 0.493 207 V N -0.766 118.929 119.914 -0.365 0.000 3.090 207 V HA 0.095 3.882 4.120 -0.556 0.000 0.237 207 V C 1.139 177.037 176.094 -0.326 0.000 1.209 207 V CA 0.518 62.533 62.300 -0.474 0.000 1.209 207 V CB 0.021 31.313 31.823 -0.885 0.000 0.971 207 V HN 0.019 nan 8.190 nan 0.000 0.477 208 F N 0.337 120.269 119.950 -0.030 0.000 2.724 208 F HA 0.357 4.549 4.527 -0.557 0.000 0.306 208 F C 1.554 177.292 175.800 -0.102 0.000 1.100 208 F CA -0.094 57.903 58.000 -0.005 0.000 1.255 208 F CB -0.091 38.940 39.000 0.050 0.000 1.072 208 F HN 0.044 nan 8.300 nan 0.000 0.589 209 S N 0.556 116.265 115.700 0.015 0.000 3.581 209 S HA -0.007 4.129 4.470 -0.556 0.000 0.354 209 S C 0.135 174.339 174.600 -0.661 0.000 1.059 209 S CA 0.509 58.570 58.200 -0.231 0.000 1.060 209 S CB -1.711 61.413 63.200 -0.127 0.000 0.908 209 S HN 0.633 nan 8.310 nan 0.000 0.475 210 A N -0.624 122.024 122.820 -0.287 0.000 2.610 210 A HA 0.749 4.735 4.320 -0.556 0.000 0.291 210 A C -0.360 177.187 177.584 -0.062 0.000 1.086 210 A CA -0.485 51.393 52.037 -0.264 0.000 0.677 210 A CB 0.459 19.297 19.000 -0.269 0.000 1.278 210 A HN 0.373 nan 8.150 nan 0.000 0.414 211 Y N 1.091 121.213 120.300 -0.296 0.000 2.503 211 Y HA 0.279 4.497 4.550 -0.554 0.000 0.277 211 Y C 1.429 177.042 175.900 -0.478 0.000 1.102 211 Y CA 0.814 58.756 58.100 -0.264 0.000 1.261 211 Y CB 0.080 38.428 38.460 -0.188 0.000 1.096 211 Y HN 0.640 nan 8.280 nan 0.000 0.546 212 S N 0.761 115.927 115.700 -0.889 0.000 2.549 212 S HA 0.446 4.583 4.470 -0.556 0.000 0.286 212 S C 0.282 174.293 174.600 -0.981 0.000 1.314 212 S CA 0.324 57.692 58.200 -1.386 0.000 1.062 212 S CB 0.335 62.260 63.200 -2.124 0.000 0.865 212 S HN 0.470 nan 8.310 nan 0.000 0.498 213 A N 5.653 127.898 122.820 -0.958 0.000 2.897 213 A HA 0.482 4.468 4.320 -0.556 0.000 0.230 213 A C -0.638 176.212 177.584 -1.224 0.000 0.896 213 A CA -0.465 50.963 52.037 -1.015 0.000 1.114 213 A CB 0.094 19.010 19.000 -0.140 0.000 1.230 213 A HN 0.696 nan 8.150 nan 0.000 0.481 214 L N 0.483 120.861 121.223 -1.408 0.000 2.410 214 L HA 0.583 4.590 4.340 -0.556 0.000 0.270 214 L C -1.241 175.134 176.870 -0.824 0.000 0.983 214 L CA -0.499 53.870 54.840 -0.785 0.000 0.822 214 L CB 1.988 43.825 42.059 -0.369 0.000 1.285 214 L HN 0.473 nan 8.230 nan 0.000 0.409 215 W N 2.610 123.939 121.300 0.048 0.000 2.591 215 W HA 0.226 4.552 4.660 -0.556 0.000 0.311 215 W C -0.845 175.919 176.519 0.407 0.000 1.003 215 W CA -1.052 56.454 57.345 0.268 0.000 1.332 215 W CB 1.247 30.898 29.460 0.319 0.000 1.272 215 W HN 0.507 nan 8.180 nan 0.000 0.412 216 W N 2.549 124.074 121.300 0.376 0.000 2.158 216 W HA 0.150 4.476 4.660 -0.556 0.000 0.339 216 W C 1.366 177.772 176.519 -0.188 0.000 1.294 216 W CA 0.456 57.887 57.345 0.144 0.000 1.231 216 W CB 0.851 30.360 29.460 0.082 0.000 1.143 216 W HN 0.183 nan 8.180 nan 0.000 0.571 217 S N 2.783 118.340 115.700 -0.238 0.000 2.603 217 S HA 0.195 4.332 4.470 -0.556 0.000 0.268 217 S C -1.806 172.510 174.600 -0.474 0.000 1.317 217 S CA -1.109 56.348 58.200 -1.239 0.000 1.012 217 S CB 1.249 63.897 63.200 -0.921 0.000 0.926 217 S HN 0.283 nan 8.310 nan 0.000 0.539 218 P HA -0.147 nan 4.420 nan 0.000 0.218 218 P C 0.959 178.203 177.300 -0.093 0.000 1.154 218 P CA 1.322 64.359 63.100 -0.106 0.000 0.872 218 P CB 0.010 31.702 31.700 -0.014 0.000 0.790 219 N N -2.331 116.300 118.700 -0.115 0.000 2.230 219 N HA 0.048 4.455 4.740 -0.556 0.000 0.202 219 N C 0.981 176.393 175.510 -0.163 0.000 1.119 219 N CA 0.808 53.791 53.050 -0.111 0.000 0.851 219 N CB 0.257 38.700 38.487 -0.074 0.000 0.990 219 N HN 0.072 nan 8.380 nan 0.000 0.497 220 G N 0.335 109.037 108.800 -0.163 0.000 2.162 220 G HA2 -0.301 3.325 3.960 -0.556 0.000 0.260 220 G HA3 -0.301 3.325 3.960 -0.556 0.000 0.260 220 G C 1.041 175.919 174.900 -0.038 0.000 0.976 220 G CA 1.063 46.061 45.100 -0.171 0.000 0.655 220 G HN 0.357 nan 8.290 nan 0.000 0.533 221 T N -0.055 114.407 114.554 -0.154 0.000 2.701 221 T HA 0.211 4.227 4.350 -0.556 0.000 0.263 221 T C 0.911 175.384 174.700 -0.378 0.000 1.040 221 T CA 1.376 63.251 62.100 -0.377 0.000 1.147 221 T CB -0.075 68.351 68.868 -0.737 0.000 0.865 221 T HN 0.313 nan 8.240 nan 0.000 0.426 222 F N 0.284 120.269 119.950 0.059 0.000 2.432 222 F HA 0.647 4.841 4.527 -0.556 0.000 0.329 222 F C -0.244 175.652 175.800 0.159 0.000 1.076 222 F CA -1.628 56.444 58.000 0.120 0.000 1.018 222 F CB 1.059 40.157 39.000 0.164 0.000 1.201 222 F HN -0.106 nan 8.300 nan 0.000 0.489 223 L N 2.496 123.909 121.223 0.317 0.000 2.372 223 L HA 0.782 4.788 4.340 -0.556 0.000 0.273 223 L C -0.637 176.366 176.870 0.222 0.000 0.989 223 L CA -0.537 54.319 54.840 0.027 0.000 0.841 223 L CB 0.763 42.579 42.059 -0.404 0.000 1.225 223 L HN 0.686 nan 8.230 nan 0.000 0.414 224 A N 4.689 127.733 122.820 0.373 0.000 2.310 224 A HA 0.733 4.720 4.320 -0.556 0.000 0.299 224 A C -1.257 176.474 177.584 0.246 0.000 1.147 224 A CA -0.180 51.984 52.037 0.212 0.000 0.818 224 A CB 0.411 19.591 19.000 0.300 0.000 1.096 224 A HN 0.880 nan 8.150 nan 0.000 0.495 225 Y N -1.418 118.746 120.300 -0.226 0.000 2.670 225 Y HA 0.779 4.995 4.550 -0.557 0.000 0.334 225 Y C -0.457 175.317 175.900 -0.209 0.000 1.185 225 Y CA -0.989 57.051 58.100 -0.099 0.000 1.053 225 Y CB 0.953 39.327 38.460 -0.143 0.000 1.298 225 Y HN 0.960 nan 8.280 nan 0.000 0.459 226 A N 1.856 124.742 122.820 0.110 0.000 2.374 226 A HA 0.664 4.650 4.320 -0.556 0.000 0.317 226 A C -1.456 176.035 177.584 -0.155 0.000 1.094 226 A CA -0.864 51.078 52.037 -0.159 0.000 0.765 226 A CB 1.901 20.826 19.000 -0.124 0.000 1.268 226 A HN 0.831 nan 8.150 nan 0.000 0.438 227 Q N 1.357 120.991 119.800 -0.276 0.000 2.333 227 Q HA 0.646 4.652 4.340 -0.556 0.000 0.267 227 Q C -1.995 173.791 176.000 -0.356 0.000 1.012 227 Q CA -0.390 55.375 55.803 -0.063 0.000 0.824 227 Q CB 1.007 29.908 28.738 0.272 0.000 1.290 227 Q HN 0.593 nan 8.270 nan 0.000 0.449 228 F N 2.377 122.424 119.950 0.161 0.000 2.469 228 F HA 0.410 4.605 4.527 -0.554 0.000 0.332 228 F C 0.315 176.257 175.800 0.236 0.000 1.103 228 F CA -0.942 57.123 58.000 0.109 0.000 0.979 228 F CB 1.465 40.443 39.000 -0.037 0.000 1.137 228 F HN 0.459 nan 8.300 nan 0.000 0.463 229 N N 1.873 120.777 118.700 0.341 0.000 2.479 229 N HA 0.223 4.629 4.740 -0.556 0.000 0.261 229 N C -0.543 175.132 175.510 0.274 0.000 0.979 229 N CA -0.326 52.890 53.050 0.277 0.000 0.930 229 N CB 1.075 39.670 38.487 0.180 0.000 1.172 229 N HN 0.527 nan 8.380 nan 0.000 0.499 230 D N 1.088 121.673 120.400 0.309 0.000 2.349 230 D HA 0.062 4.368 4.640 -0.556 0.000 0.214 230 D C 1.300 177.712 176.300 0.187 0.000 1.063 230 D CA 0.340 54.500 54.000 0.268 0.000 0.847 230 D CB 0.409 41.423 40.800 0.357 0.000 0.933 230 D HN 0.500 nan 8.370 nan 0.000 0.513 231 T N 0.904 115.551 114.554 0.155 0.000 2.634 231 T HA -0.290 3.726 4.350 -0.556 0.000 0.256 231 T C 1.304 176.059 174.700 0.092 0.000 1.131 231 T CA 1.664 63.829 62.100 0.108 0.000 1.149 231 T CB -0.233 68.688 68.868 0.089 0.000 0.849 231 T HN 0.351 nan 8.240 nan 0.000 0.457 232 E N 0.243 120.497 120.200 0.090 0.000 2.444 232 E HA 0.182 4.199 4.350 -0.556 0.000 0.191 232 E C -0.457 176.191 176.600 0.081 0.000 1.041 232 E CA -0.271 56.173 56.400 0.074 0.000 0.883 232 E CB 0.464 30.200 29.700 0.060 0.000 1.024 232 E HN 0.221 nan 8.360 nan 0.000 0.470 233 V N 3.507 123.483 119.914 0.104 0.000 2.427 233 V HA 0.120 3.907 4.120 -0.556 0.000 0.268 233 V C -2.009 174.144 176.094 0.099 0.000 1.046 233 V CA -1.702 60.664 62.300 0.110 0.000 0.970 233 V CB 0.472 32.380 31.823 0.140 0.000 1.001 233 V HN 0.046 nan 8.190 nan 0.000 0.476 234 P HA 0.150 nan 4.420 nan 0.000 0.269 234 P C -0.743 176.599 177.300 0.069 0.000 1.217 234 P CA -0.057 63.084 63.100 0.069 0.000 0.783 234 P CB 0.461 32.202 31.700 0.068 0.000 0.898 235 L N 2.313 123.553 121.223 0.029 0.000 2.296 235 L HA 0.432 4.438 4.340 -0.556 0.000 0.286 235 L C 0.292 177.116 176.870 -0.076 0.000 1.023 235 L CA -1.029 53.807 54.840 -0.006 0.000 0.812 235 L CB 1.145 43.193 42.059 -0.019 0.000 1.223 235 L HN 0.299 nan 8.230 nan 0.000 0.421 236 I N 2.956 123.433 120.570 -0.155 0.000 2.474 236 I HA 0.173 4.009 4.170 -0.556 0.000 0.287 236 I C -0.275 175.671 176.117 -0.285 0.000 1.048 236 I CA 0.373 61.478 61.300 -0.325 0.000 1.383 236 I CB 0.617 38.153 38.000 -0.773 0.000 1.412 236 I HN 0.579 nan 8.210 nan 0.000 0.531 237 E N 7.534 127.590 120.200 -0.240 0.000 2.244 237 E HA 0.366 4.382 4.350 -0.556 0.000 0.260 237 E C -1.696 174.803 176.600 -0.168 0.000 0.884 237 E CA -0.512 55.739 56.400 -0.248 0.000 0.777 237 E CB 1.558 31.158 29.700 -0.168 0.000 1.197 237 E HN 0.590 nan 8.360 nan 0.000 0.416 238 Y N -1.014 119.190 120.300 -0.160 0.000 2.662 238 Y HA 0.710 4.912 4.550 -0.580 0.000 0.335 238 Y C -0.289 175.542 175.900 -0.115 0.000 1.066 238 Y CA -1.344 56.675 58.100 -0.135 0.000 1.116 238 Y CB 0.988 39.373 38.460 -0.125 0.000 1.308 238 Y HN 0.104 nan 8.280 nan 0.000 0.502 239 S N 1.206 116.946 115.700 0.068 0.000 2.489 239 S HA 0.505 4.641 4.470 -0.556 0.000 0.291 239 S C -1.649 172.864 174.600 -0.144 0.000 1.151 239 S CA -0.514 57.573 58.200 -0.188 0.000 1.082 239 S CB 0.707 63.614 63.200 -0.489 0.000 1.019 239 S HN 0.520 nan 8.310 nan 0.000 0.492 240 F N 2.571 122.340 119.950 -0.301 0.000 2.449 240 F HA 0.443 4.643 4.527 -0.546 0.000 0.342 240 F C -0.241 175.380 175.800 -0.300 0.000 1.127 240 F CA -0.942 56.980 58.000 -0.130 0.000 0.975 240 F CB 0.763 39.775 39.000 0.019 0.000 1.146 240 F HN 0.648 nan 8.300 nan 0.000 0.444 241 Y N 2.718 122.739 120.300 -0.465 0.000 2.490 241 Y HA 0.124 4.253 4.550 -0.702 0.000 0.285 241 Y C 1.690 177.490 175.900 -0.167 0.000 1.117 241 Y CA 0.977 58.932 58.100 -0.241 0.000 1.262 241 Y CB -0.688 37.633 38.460 -0.232 0.000 1.043 241 Y HN 0.733 nan 8.280 nan 0.000 0.553 242 S N -0.058 115.514 115.700 -0.214 0.000 3.381 242 S HA -0.279 3.857 4.470 -0.556 0.000 0.636 242 S C -0.098 174.551 174.600 0.082 0.000 2.614 242 S CA 0.342 58.615 58.200 0.122 0.000 2.810 242 S CB -1.199 62.176 63.200 0.292 0.000 0.331 242 S HN 0.617 nan 8.310 nan 0.000 1.788 243 D N 1.032 121.504 120.400 0.120 0.000 2.399 243 D HA 0.078 4.385 4.640 -0.556 0.000 0.241 243 D C 1.395 177.731 176.300 0.060 0.000 1.133 243 D CA 0.656 54.705 54.000 0.081 0.000 0.890 243 D CB 0.773 41.624 40.800 0.085 0.000 1.201 243 D HN 0.638 nan 8.370 nan 0.000 0.432 244 E N 1.283 121.506 120.200 0.039 0.000 2.301 244 E HA -0.254 3.763 4.350 -0.556 0.000 0.202 244 E C 1.505 178.121 176.600 0.027 0.000 1.017 244 E CA 1.411 57.826 56.400 0.025 0.000 0.831 244 E CB 0.102 29.810 29.700 0.014 0.000 0.742 244 E HN 0.505 nan 8.360 nan 0.000 0.491 245 S N -0.220 115.503 115.700 0.038 0.000 2.489 245 S HA -0.009 4.127 4.470 -0.556 0.000 0.228 245 S C 1.071 175.699 174.600 0.046 0.000 0.995 245 S CA -0.150 58.072 58.200 0.037 0.000 0.934 245 S CB -0.001 63.224 63.200 0.042 0.000 0.771 245 S HN 0.231 nan 8.310 nan 0.000 0.522 246 L N 2.672 123.930 121.223 0.058 0.000 2.485 246 L HA 0.159 4.165 4.340 -0.556 0.000 0.279 246 L C 1.577 178.480 176.870 0.056 0.000 1.124 246 L CA -0.009 54.875 54.840 0.074 0.000 0.888 246 L CB 0.690 42.805 42.059 0.093 0.000 1.217 246 L HN 0.422 nan 8.230 nan 0.000 0.464 247 Q N 3.691 123.529 119.800 0.063 0.000 2.124 247 Q HA -0.138 3.868 4.340 -0.556 0.000 0.202 247 Q C -0.593 175.318 176.000 -0.148 0.000 0.977 247 Q CA 1.532 57.323 55.803 -0.019 0.000 0.850 247 Q CB 0.218 28.979 28.738 0.037 0.000 0.901 247 Q HN 0.551 nan 8.270 nan 0.000 0.429 248 Y N -0.357 119.950 120.300 0.012 0.000 2.393 248 Y HA 0.366 4.580 4.550 -0.559 0.000 0.341 248 Y C -2.064 173.829 175.900 -0.012 0.000 0.988 248 Y CA -2.896 55.203 58.100 -0.001 0.000 1.078 248 Y CB 1.436 39.890 38.460 -0.010 0.000 1.203 248 Y HN 0.058 nan 8.280 nan 0.000 0.453 249 P HA 0.176 nan 4.420 nan 0.000 0.272 249 P C -1.058 176.230 177.300 -0.020 0.000 1.230 249 P CA -0.622 62.450 63.100 -0.047 0.000 0.788 249 P CB 0.773 32.327 31.700 -0.243 0.000 0.949 250 K N 0.371 120.753 120.400 -0.029 0.000 2.159 250 K HA 0.443 4.429 4.320 -0.556 0.000 0.266 250 K C -0.572 175.992 176.600 -0.060 0.000 0.975 250 K CA -0.182 56.101 56.287 -0.006 0.000 0.865 250 K CB 0.607 33.142 32.500 0.058 0.000 1.087 250 K HN 0.283 nan 8.250 nan 0.000 0.446 251 T N 2.664 117.166 114.554 -0.086 0.000 2.738 251 T HA 0.235 4.252 4.350 -0.556 0.000 0.298 251 T C -0.397 174.188 174.700 -0.191 0.000 0.962 251 T CA -0.627 61.388 62.100 -0.143 0.000 0.972 251 T CB 0.521 69.311 68.868 -0.129 0.000 0.928 251 T HN 0.175 nan 8.240 nan 0.000 0.474 252 V N 5.524 125.246 119.914 -0.321 0.000 2.614 252 V HA 0.331 4.117 4.120 -0.556 0.000 0.291 252 V C 0.555 176.382 176.094 -0.445 0.000 1.049 252 V CA -0.165 61.888 62.300 -0.412 0.000 1.038 252 V CB 0.640 32.044 31.823 -0.698 0.000 0.980 252 V HN 0.721 nan 8.190 nan 0.000 0.481 253 R N 5.102 125.458 120.500 -0.241 0.000 2.502 253 R HA 0.698 4.704 4.340 -0.556 0.000 0.300 253 R C -1.340 174.927 176.300 -0.054 0.000 0.984 253 R CA -0.486 55.512 56.100 -0.170 0.000 0.882 253 R CB 1.914 32.153 30.300 -0.102 0.000 1.180 253 R HN 0.597 nan 8.270 nan 0.000 0.444 254 I N 3.334 123.869 120.570 -0.058 0.000 2.545 254 I HA 0.372 4.208 4.170 -0.556 0.000 0.292 254 I C -2.407 173.752 176.117 0.069 0.000 1.040 254 I CA -2.699 58.640 61.300 0.064 0.000 1.068 254 I CB 2.835 40.832 38.000 -0.005 0.000 1.251 254 I HN 0.240 nan 8.210 nan 0.000 0.424 255 P HA 0.125 nan 4.420 nan 0.000 0.279 255 P C -1.515 175.898 177.300 0.189 0.000 1.318 255 P CA 0.067 63.269 63.100 0.169 0.000 0.819 255 P CB -0.047 31.788 31.700 0.224 0.000 0.927 256 Y N 6.789 127.071 120.300 -0.030 0.000 2.327 256 Y HA 0.431 4.656 4.550 -0.541 0.000 0.325 256 Y C -2.713 173.175 175.900 -0.020 0.000 0.999 256 Y CA -3.128 54.917 58.100 -0.090 0.000 1.195 256 Y CB 1.766 40.044 38.460 -0.304 0.000 1.132 256 Y HN 0.274 nan 8.280 nan 0.000 0.455 257 P HA 0.227 nan 4.420 nan 0.000 0.287 257 P C -0.957 176.374 177.300 0.051 0.000 1.307 257 P CA -0.166 62.974 63.100 0.067 0.000 0.777 257 P CB 1.441 33.166 31.700 0.042 0.000 0.883 258 K N 2.047 122.563 120.400 0.192 0.000 2.117 258 K HA 0.511 4.497 4.320 -0.556 0.000 0.240 258 K C 0.547 177.240 176.600 0.154 0.000 1.031 258 K CA -0.765 55.657 56.287 0.225 0.000 0.909 258 K CB 0.597 33.260 32.500 0.273 0.000 1.097 258 K HN 0.456 nan 8.250 nan 0.000 0.492 259 A N 0.557 123.495 122.820 0.196 0.000 2.580 259 A HA 0.231 4.217 4.320 -0.556 0.000 0.244 259 A C 1.237 178.866 177.584 0.076 0.000 1.045 259 A CA 1.120 53.261 52.037 0.173 0.000 0.761 259 A CB -1.236 17.929 19.000 0.275 0.000 0.962 259 A HN 0.907 nan 8.150 nan 0.000 0.512 260 G N 1.116 109.949 108.800 0.055 0.000 2.245 260 G HA2 0.051 3.677 3.960 -0.556 0.000 0.264 260 G HA3 0.051 3.677 3.960 -0.556 0.000 0.264 260 G C 0.803 175.720 174.900 0.028 0.000 0.985 260 G CA 0.993 46.101 45.100 0.015 0.000 0.625 260 G HN 2.260 nan 8.290 nan 0.000 0.536 261 A N -0.076 122.776 122.820 0.054 0.000 2.310 261 A HA 0.626 4.612 4.320 -0.556 0.000 0.260 261 A C 0.559 178.176 177.584 0.054 0.000 1.112 261 A CA 0.771 52.842 52.037 0.058 0.000 0.804 261 A CB 0.202 19.252 19.000 0.082 0.000 1.081 261 A HN 0.729 nan 8.150 nan 0.000 0.499 262 E N 0.443 120.676 120.200 0.054 0.000 2.376 262 E HA 0.146 4.162 4.350 -0.556 0.000 0.266 262 E C -0.378 176.266 176.600 0.073 0.000 1.009 262 E CA 0.206 56.638 56.400 0.052 0.000 0.902 262 E CB 0.195 29.926 29.700 0.052 0.000 0.972 262 E HN 0.552 nan 8.360 nan 0.000 0.439 263 N N 4.051 122.795 118.700 0.073 0.000 2.482 263 N HA 0.433 4.839 4.740 -0.556 0.000 0.279 263 N C -2.439 173.156 175.510 0.141 0.000 1.182 263 N CA -1.642 51.478 53.050 0.116 0.000 0.969 263 N CB 0.761 39.326 38.487 0.130 0.000 1.201 263 N HN 0.389 nan 8.380 nan 0.000 0.523 264 P HA 0.148 nan 4.420 nan 0.000 0.274 264 P C -0.548 176.902 177.300 0.251 0.000 1.246 264 P CA -0.180 63.069 63.100 0.247 0.000 0.795 264 P CB 0.487 32.375 31.700 0.314 0.000 1.006 265 T N -2.260 112.419 114.554 0.209 0.000 2.940 265 T HA 0.571 4.588 4.350 -0.556 0.000 0.288 265 T C -0.358 174.436 174.700 0.156 0.000 1.033 265 T CA -0.838 61.342 62.100 0.133 0.000 1.033 265 T CB 1.486 70.388 68.868 0.057 0.000 1.079 265 T HN 0.312 nan 8.240 nan 0.000 0.496 266 V N 0.682 120.658 119.914 0.103 0.000 2.864 266 V HA 0.783 4.569 4.120 -0.556 0.000 0.314 266 V C -1.380 174.717 176.094 0.005 0.000 1.073 266 V CA -0.888 61.409 62.300 -0.005 0.000 0.956 266 V CB 1.910 33.769 31.823 0.060 0.000 1.023 266 V HN 1.024 nan 8.190 nan 0.000 0.435 267 K N 4.548 124.862 120.400 -0.143 0.000 2.468 267 K HA 0.459 4.445 4.320 -0.556 0.000 0.252 267 K C -1.915 174.404 176.600 -0.469 0.000 0.932 267 K CA -0.377 55.739 56.287 -0.285 0.000 0.794 267 K CB 2.647 34.958 32.500 -0.316 0.000 1.241 267 K HN 0.597 nan 8.250 nan 0.000 0.428 268 F N 3.007 122.542 119.950 -0.691 0.000 2.469 268 F HA 0.580 4.773 4.527 -0.557 0.000 0.332 268 F C -1.308 173.903 175.800 -0.982 0.000 1.103 268 F CA -0.571 57.046 58.000 -0.638 0.000 0.979 268 F CB 0.822 39.660 39.000 -0.269 0.000 1.137 268 F HN 0.390 nan 8.300 nan 0.000 0.463 269 F N 4.240 123.572 119.950 -1.030 0.000 2.588 269 F HA 0.642 4.835 4.527 -0.557 0.000 0.310 269 F C -1.017 174.353 175.800 -0.717 0.000 1.082 269 F CA -1.228 56.334 58.000 -0.731 0.000 0.929 269 F CB 2.013 40.483 39.000 -0.883 0.000 1.254 269 F HN 0.059 nan 8.300 nan 0.000 0.455 270 V N 3.402 123.282 119.914 -0.057 0.000 2.448 270 V HA 0.520 4.306 4.120 -0.556 0.000 0.295 270 V C -0.668 175.580 176.094 0.256 0.000 1.025 270 V CA -0.792 61.493 62.300 -0.024 0.000 0.859 270 V CB 1.764 33.366 31.823 -0.368 0.000 0.988 270 V HN 0.531 nan 8.190 nan 0.000 0.431 271 V N 3.536 123.644 119.914 0.323 0.000 2.398 271 V HA 0.363 4.149 4.120 -0.556 0.000 0.286 271 V C -0.191 176.163 176.094 0.434 0.000 1.026 271 V CA -0.532 61.977 62.300 0.348 0.000 0.868 271 V CB 1.915 33.883 31.823 0.241 0.000 0.982 271 V HN 0.883 nan 8.190 nan 0.000 0.443 272 D N 3.551 124.203 120.400 0.420 0.000 2.393 272 D HA 0.081 4.387 4.640 -0.556 0.000 0.232 272 D C 1.422 177.796 176.300 0.123 0.000 1.192 272 D CA 0.035 54.205 54.000 0.284 0.000 0.882 272 D CB 1.586 42.581 40.800 0.324 0.000 1.038 272 D HN 0.734 nan 8.370 nan 0.000 0.499 273 T N 1.310 115.906 114.554 0.071 0.000 3.098 273 T HA -0.060 3.956 4.350 -0.556 0.000 0.266 273 T C 1.636 176.360 174.700 0.040 0.000 1.145 273 T CA 0.497 62.647 62.100 0.082 0.000 1.092 273 T CB 0.008 68.986 68.868 0.183 0.000 0.908 273 T HN 0.309 nan 8.240 nan 0.000 0.526 274 R N 1.320 121.814 120.500 -0.010 0.000 2.096 274 R HA -0.037 3.969 4.340 -0.556 0.000 0.235 274 R C 2.621 178.934 176.300 0.023 0.000 1.127 274 R CA 1.828 57.920 56.100 -0.013 0.000 0.968 274 R CB -0.658 29.613 30.300 -0.047 0.000 0.861 274 R HN 0.668 nan 8.270 nan 0.000 0.440 275 T N -1.335 113.247 114.554 0.046 0.000 3.144 275 T HA 0.210 4.226 4.350 -0.556 0.000 0.249 275 T C 0.703 175.434 174.700 0.051 0.000 1.089 275 T CA -0.192 61.939 62.100 0.052 0.000 0.989 275 T CB -0.114 68.795 68.868 0.069 0.000 0.992 275 T HN -0.011 nan 8.240 nan 0.000 0.540 276 L N 2.613 123.866 121.223 0.050 0.000 2.698 276 L HA 0.306 4.313 4.340 -0.556 0.000 0.272 276 L C 0.466 177.362 176.870 0.042 0.000 1.154 276 L CA -0.004 54.864 54.840 0.046 0.000 0.964 276 L CB -0.071 42.014 42.059 0.044 0.000 1.272 276 L HN 0.261 nan 8.230 nan 0.000 0.483 277 S N 4.234 119.960 115.700 0.043 0.000 2.541 277 S HA 0.503 4.639 4.470 -0.556 0.000 0.271 277 S C -1.892 172.735 174.600 0.045 0.000 1.133 277 S CA -1.136 57.088 58.200 0.040 0.000 0.876 277 S CB 2.006 65.227 63.200 0.036 0.000 1.105 277 S HN 0.344 nan 8.310 nan 0.000 0.470 278 P HA -0.048 nan 4.420 nan 0.000 0.219 278 P C 0.233 177.561 177.300 0.046 0.000 1.146 278 P CA 1.138 64.271 63.100 0.054 0.000 0.808 278 P CB -0.023 31.706 31.700 0.049 0.000 0.779 279 N N -0.689 118.032 118.700 0.034 0.000 2.238 279 N HA 0.246 4.652 4.740 -0.556 0.000 0.222 279 N C 0.326 175.848 175.510 0.020 0.000 1.133 279 N CA -0.015 53.049 53.050 0.023 0.000 0.854 279 N CB 0.795 39.293 38.487 0.018 0.000 1.041 279 N HN 0.124 nan 8.380 nan 0.000 0.510 280 A N 0.325 123.162 122.820 0.029 0.000 2.337 280 A HA 0.679 4.665 4.320 -0.556 0.000 0.331 280 A C 0.609 178.213 177.584 0.033 0.000 1.137 280 A CA -0.501 51.555 52.037 0.031 0.000 0.807 280 A CB 1.060 20.084 19.000 0.039 0.000 1.250 280 A HN 0.162 nan 8.150 nan 0.000 0.468 281 S N -0.043 115.675 115.700 0.029 0.000 2.671 281 S HA 0.622 4.758 4.470 -0.556 0.000 0.272 281 S C -0.075 174.558 174.600 0.056 0.000 1.174 281 S CA -0.483 57.733 58.200 0.028 0.000 1.004 281 S CB 0.614 63.821 63.200 0.012 0.000 1.077 281 S HN 0.856 nan 8.310 nan 0.000 0.553 282 V N 1.235 121.188 119.914 0.064 0.000 2.427 282 V HA 0.386 4.172 4.120 -0.556 0.000 0.286 282 V C 0.027 176.180 176.094 0.098 0.000 1.034 282 V CA -0.605 61.742 62.300 0.078 0.000 0.893 282 V CB 1.260 33.125 31.823 0.070 0.000 0.982 282 V HN 0.990 nan 8.190 nan 0.000 0.452 283 T N 4.294 118.927 114.554 0.132 0.000 2.747 283 T HA 0.479 4.495 4.350 -0.556 0.000 0.301 283 T C 0.053 174.900 174.700 0.244 0.000 0.952 283 T CA -0.263 61.947 62.100 0.184 0.000 0.983 283 T CB 0.388 69.374 68.868 0.197 0.000 0.930 283 T HN 0.894 nan 8.240 nan 0.000 0.494 284 S N 2.997 118.848 115.700 0.251 0.000 2.546 284 S HA 0.677 4.813 4.470 -0.556 0.000 0.274 284 S C -1.531 173.308 174.600 0.398 0.000 1.121 284 S CA -1.003 57.382 58.200 0.308 0.000 0.887 284 S CB 1.555 64.870 63.200 0.192 0.000 1.094 284 S HN 0.559 nan 8.310 nan 0.000 0.474 285 Y N 1.500 121.997 120.300 0.328 0.000 2.364 285 Y HA 0.494 4.711 4.550 -0.556 0.000 0.340 285 Y C -0.202 175.878 175.900 0.300 0.000 0.975 285 Y CA -0.545 57.756 58.100 0.334 0.000 1.089 285 Y CB 1.826 40.556 38.460 0.450 0.000 1.192 285 Y HN 0.880 nan 8.280 nan 0.000 0.454 286 Q N 6.455 126.076 119.800 -0.299 0.000 2.322 286 Q HA 0.437 4.443 4.340 -0.556 0.000 0.256 286 Q C -1.196 174.566 176.000 -0.396 0.000 0.960 286 Q CA -0.422 55.188 55.803 -0.321 0.000 0.934 286 Q CB 0.646 29.213 28.738 -0.284 0.000 1.200 286 Q HN 0.730 nan 8.270 nan 0.000 0.435 287 I N 5.138 125.660 120.570 -0.080 0.000 2.315 287 I HA 0.188 4.024 4.170 -0.556 0.000 0.291 287 I C 0.289 176.372 176.117 -0.057 0.000 1.006 287 I CA -0.758 60.568 61.300 0.043 0.000 1.265 287 I CB 1.104 39.193 38.000 0.147 0.000 1.387 287 I HN 0.391 nan 8.210 nan 0.000 0.475 288 V N 5.679 125.498 119.914 -0.159 0.000 2.863 288 V HA 0.629 4.415 4.120 -0.556 0.000 0.307 288 V C -2.313 173.427 176.094 -0.589 0.000 1.061 288 V CA -1.894 60.198 62.300 -0.346 0.000 1.024 288 V CB 0.935 32.580 31.823 -0.296 0.000 1.049 288 V HN 0.532 nan 8.190 nan 0.000 0.471 289 P HA 0.364 nan 4.420 nan 0.000 0.274 289 P C -2.849 174.031 177.300 -0.700 0.000 1.237 289 P CA -1.578 60.640 63.100 -1.469 0.000 0.793 289 P CB -0.088 30.378 31.700 -2.056 0.000 0.977 290 P HA 0.002 nan 4.420 nan 0.000 0.268 290 P C 0.998 178.151 177.300 -0.245 0.000 1.205 290 P CA 0.325 63.277 63.100 -0.246 0.000 0.771 290 P CB 0.126 31.752 31.700 -0.123 0.000 0.858 291 A N 3.530 126.243 122.820 -0.179 0.000 1.935 291 A HA -0.329 3.657 4.320 -0.556 0.000 0.224 291 A C 2.215 179.698 177.584 -0.168 0.000 1.324 291 A CA 3.074 55.015 52.037 -0.160 0.000 0.686 291 A CB -2.104 16.833 19.000 -0.106 0.000 0.837 291 A HN 0.651 nan 8.150 nan 0.000 0.481 292 S N -1.528 114.094 115.700 -0.129 0.000 2.461 292 S HA -0.094 4.043 4.470 -0.556 0.000 0.246 292 S C 1.394 175.838 174.600 -0.260 0.000 1.007 292 S CA 1.734 59.841 58.200 -0.155 0.000 0.976 292 S CB -0.427 62.766 63.200 -0.011 0.000 0.763 292 S HN 0.469 nan 8.310 nan 0.000 0.508 293 V N 0.108 119.874 119.914 -0.248 0.000 3.359 293 V HA 0.311 4.097 4.120 -0.556 0.000 0.245 293 V C 1.844 177.717 176.094 -0.369 0.000 1.247 293 V CA 0.134 62.262 62.300 -0.287 0.000 1.145 293 V CB -0.097 31.573 31.823 -0.256 0.000 0.906 293 V HN 0.429 nan 8.190 nan 0.000 0.464 294 L N 0.497 121.458 121.223 -0.437 0.000 2.642 294 L HA -0.018 3.988 4.340 -0.556 0.000 0.236 294 L C 1.965 178.730 176.870 -0.174 0.000 1.169 294 L CA 1.350 55.958 54.840 -0.387 0.000 0.851 294 L CB -0.077 41.772 42.059 -0.350 0.000 0.968 294 L HN 0.396 nan 8.230 nan 0.000 0.453 295 I N -0.871 119.602 120.570 -0.161 0.000 3.001 295 I HA 0.023 3.859 4.170 -0.556 0.000 0.268 295 I C 0.917 176.991 176.117 -0.071 0.000 1.267 295 I CA 0.588 61.821 61.300 -0.112 0.000 1.472 295 I CB 0.084 38.004 38.000 -0.134 0.000 1.089 295 I HN 0.259 nan 8.210 nan 0.000 0.468 296 G N -0.692 108.089 108.800 -0.032 0.000 2.554 296 G HA2 0.142 3.768 3.960 -0.556 0.000 0.306 296 G HA3 0.142 3.768 3.960 -0.556 0.000 0.306 296 G C -1.682 173.244 174.900 0.044 0.000 1.320 296 G CA -0.701 44.390 45.100 -0.015 0.000 0.800 296 G HN -0.051 nan 8.290 nan 0.000 0.481 297 D N 1.409 121.769 120.400 -0.066 0.000 2.571 297 D HA 0.363 4.669 4.640 -0.556 0.000 0.231 297 D C 0.629 176.800 176.300 -0.214 0.000 1.133 297 D CA 1.103 54.988 54.000 -0.192 0.000 0.862 297 D CB 0.164 40.845 40.800 -0.198 0.000 1.179 297 D HN 0.563 nan 8.370 nan 0.000 0.474 298 H N -0.573 118.327 119.070 -0.282 0.000 2.933 298 H HA 0.479 4.702 4.556 -0.555 0.000 0.310 298 H C -1.321 173.834 175.328 -0.288 0.000 1.351 298 H CA -0.863 55.001 56.048 -0.306 0.000 1.137 298 H CB 0.454 30.181 29.762 -0.058 0.000 1.853 298 H HN 0.289 nan 8.280 nan 0.000 0.539 299 Y N 0.182 120.710 120.300 0.379 0.000 2.492 299 Y HA 0.370 4.586 4.550 -0.556 0.000 0.346 299 Y C -0.502 175.626 175.900 0.379 0.000 0.997 299 Y CA -1.107 57.177 58.100 0.306 0.000 1.025 299 Y CB 2.090 40.524 38.460 -0.043 0.000 1.263 299 Y HN 0.513 nan 8.280 nan 0.000 0.454 300 L N 3.746 125.259 121.223 0.482 0.000 2.255 300 L HA 0.445 4.451 4.340 -0.556 0.000 0.289 300 L C 0.347 177.167 176.870 -0.083 0.000 1.046 300 L CA -0.243 54.498 54.840 -0.164 0.000 0.816 300 L CB 0.260 42.117 42.059 -0.337 0.000 1.197 300 L HN 0.958 nan 8.230 nan 0.000 0.427 301 C N 1.668 120.851 119.300 -0.195 0.000 3.183 301 C HA 0.833 4.959 4.460 -0.556 0.000 0.285 301 C C 0.763 175.783 174.990 0.050 0.000 1.313 301 C CA -0.036 58.870 59.018 -0.187 0.000 1.711 301 C CB -0.934 26.726 27.740 -0.133 0.000 2.135 301 C HN 0.890 nan 8.230 nan 0.000 0.651 302 G N 0.029 108.790 108.800 -0.065 0.000 2.759 302 G HA2 0.579 4.205 3.960 -0.556 0.000 0.297 302 G HA3 0.579 4.205 3.960 -0.556 0.000 0.297 302 G C -1.834 172.815 174.900 -0.419 0.000 1.434 302 G CA -0.180 44.860 45.100 -0.100 0.000 0.980 302 G HN 0.232 nan 8.290 nan 0.000 0.531 303 V N 1.369 120.976 119.914 -0.512 0.000 2.524 303 V HA 0.684 4.470 4.120 -0.556 0.000 0.297 303 V C -0.485 175.258 176.094 -0.586 0.000 1.035 303 V CA -0.595 61.185 62.300 -0.867 0.000 0.867 303 V CB 1.949 32.708 31.823 -1.775 0.000 1.004 303 V HN 0.864 nan 8.190 nan 0.000 0.426 304 T N 3.529 117.788 114.554 -0.492 0.000 2.949 304 T HA 0.374 4.390 4.350 -0.556 0.000 0.300 304 T C -0.822 173.698 174.700 -0.301 0.000 0.988 304 T CA -0.419 61.532 62.100 -0.249 0.000 0.993 304 T CB 0.770 69.596 68.868 -0.070 0.000 0.984 304 T HN 0.516 nan 8.240 nan 0.000 0.442 305 W N 2.539 123.775 121.300 -0.107 0.000 2.266 305 W HA 0.361 4.687 4.660 -0.556 0.000 0.317 305 W C 1.088 177.529 176.519 -0.131 0.000 1.310 305 W CA -0.449 56.841 57.345 -0.092 0.000 1.207 305 W CB 0.655 30.138 29.460 0.038 0.000 1.199 305 W HN 0.448 nan 8.180 nan 0.000 0.544 306 V N 1.728 121.650 119.914 0.014 0.000 2.581 306 V HA 0.067 3.853 4.120 -0.556 0.000 0.240 306 V C 0.920 177.068 176.094 0.091 0.000 1.054 306 V CA 1.565 63.782 62.300 -0.139 0.000 1.076 306 V CB -0.184 31.339 31.823 -0.500 0.000 0.748 306 V HN 0.676 nan 8.190 nan 0.000 0.474 307 T N -4.301 110.361 114.554 0.179 0.000 2.778 307 T HA 0.339 4.355 4.350 -0.556 0.000 0.293 307 T C 0.430 175.304 174.700 0.290 0.000 1.144 307 T CA -0.495 61.725 62.100 0.200 0.000 1.010 307 T CB 1.944 70.910 68.868 0.163 0.000 1.325 307 T HN -0.050 nan 8.240 nan 0.000 0.515 308 E N 0.297 120.633 120.200 0.226 0.000 2.333 308 E HA -0.047 3.969 4.350 -0.556 0.000 0.198 308 E C 0.910 177.788 176.600 0.464 0.000 1.007 308 E CA 1.028 57.584 56.400 0.259 0.000 0.845 308 E CB 0.147 29.950 29.700 0.171 0.000 0.766 308 E HN 0.718 nan 8.360 nan 0.000 0.507 309 E N -0.101 120.345 120.200 0.410 0.000 2.660 309 E HA 0.130 4.146 4.350 -0.556 0.000 0.216 309 E C 0.187 177.051 176.600 0.441 0.000 0.986 309 E CA -0.163 56.471 56.400 0.390 0.000 1.037 309 E CB 0.921 30.765 29.700 0.240 0.000 1.041 309 E HN -0.124 nan 8.360 nan 0.000 0.480 310 R N 1.648 122.450 120.500 0.504 0.000 2.502 310 R HA 0.480 4.486 4.340 -0.556 0.000 0.300 310 R C -1.577 174.846 176.300 0.205 0.000 0.984 310 R CA -0.360 55.946 56.100 0.342 0.000 0.882 310 R CB 1.142 31.513 30.300 0.119 0.000 1.180 310 R HN 0.027 nan 8.270 nan 0.000 0.444 311 I N 2.265 122.825 120.570 -0.017 0.000 2.569 311 I HA 0.369 4.205 4.170 -0.556 0.000 0.296 311 I C -1.017 174.828 176.117 -0.453 0.000 1.028 311 I CA -0.507 60.480 61.300 -0.520 0.000 1.082 311 I CB 2.289 39.569 38.000 -1.201 0.000 1.264 311 I HN 0.624 nan 8.210 nan 0.000 0.429 312 S N 7.855 123.232 115.700 -0.538 0.000 2.520 312 S HA 0.545 4.681 4.470 -0.556 0.000 0.324 312 S C -0.833 173.489 174.600 -0.464 0.000 1.069 312 S CA -0.720 57.238 58.200 -0.402 0.000 1.121 312 S CB 0.243 63.257 63.200 -0.311 0.000 0.971 312 S HN 0.494 nan 8.310 nan 0.000 0.463 313 L N 4.174 125.139 121.223 -0.429 0.000 2.307 313 L HA 0.539 4.546 4.340 -0.556 0.000 0.282 313 L C 0.123 176.743 176.870 -0.417 0.000 1.051 313 L CA -0.638 53.855 54.840 -0.577 0.000 0.804 313 L CB 1.543 43.273 42.059 -0.549 0.000 1.197 313 L HN 0.634 nan 8.230 nan 0.000 0.431 314 Q N 2.389 121.843 119.800 -0.578 0.000 2.357 314 Q HA 0.375 4.381 4.340 -0.556 0.000 0.266 314 Q C -1.832 173.905 176.000 -0.437 0.000 1.021 314 Q CA -0.410 55.186 55.803 -0.344 0.000 0.784 314 Q CB 1.121 29.713 28.738 -0.243 0.000 1.243 314 Q HN 0.409 nan 8.270 nan 0.000 0.465 315 W N 3.871 125.137 121.300 -0.056 0.000 2.719 315 W HA 0.732 5.058 4.660 -0.557 0.000 0.352 315 W C -0.656 175.896 176.519 0.055 0.000 1.085 315 W CA -0.736 56.609 57.345 -0.001 0.000 1.187 315 W CB 1.318 30.742 29.460 -0.059 0.000 1.417 315 W HN 0.553 nan 8.180 nan 0.000 0.557 316 I N 0.940 121.731 120.570 0.367 0.000 2.913 316 I HA 0.466 4.302 4.170 -0.556 0.000 0.302 316 I C -0.336 175.937 176.117 0.259 0.000 1.246 316 I CA -1.172 60.300 61.300 0.287 0.000 1.010 316 I CB 1.609 39.744 38.000 0.224 0.000 1.259 316 I HN 0.443 nan 8.210 nan 0.000 0.434 317 R N 3.639 124.253 120.500 0.190 0.000 2.649 317 R HA 0.324 4.330 4.340 -0.556 0.000 0.270 317 R C 1.001 177.286 176.300 -0.025 0.000 1.105 317 R CA -0.372 55.761 56.100 0.054 0.000 1.193 317 R CB 0.519 30.818 30.300 -0.002 0.000 1.120 317 R HN 0.578 nan 8.270 nan 0.000 0.561 318 R N 1.088 121.478 120.500 -0.184 0.000 2.091 318 R HA -0.186 3.820 4.340 -0.556 0.000 0.238 318 R C 1.885 178.189 176.300 0.006 0.000 1.136 318 R CA 1.957 57.912 56.100 -0.243 0.000 0.959 318 R CB -0.382 29.770 30.300 -0.246 0.000 0.856 318 R HN 0.760 nan 8.270 nan 0.000 0.437 319 A N 0.376 123.193 122.820 -0.005 0.000 2.024 319 A HA -0.210 3.776 4.320 -0.556 0.000 0.220 319 A C 0.872 178.478 177.584 0.037 0.000 1.164 319 A CA 1.677 53.722 52.037 0.014 0.000 0.643 319 A CB -0.233 18.771 19.000 0.008 0.000 0.806 319 A HN 0.649 nan 8.150 nan 0.000 0.451 320 Q N -2.071 117.779 119.800 0.083 0.000 2.494 320 Q HA -0.208 3.798 4.340 -0.556 0.000 0.272 320 Q C -0.094 175.972 176.000 0.111 0.000 1.145 320 Q CA 0.666 56.532 55.803 0.104 0.000 0.943 320 Q CB -1.791 26.973 28.738 0.044 0.000 1.338 320 Q HN 0.990 nan 8.270 nan 0.000 0.492 321 N N -0.582 118.193 118.700 0.124 0.000 2.238 321 N HA 0.123 4.530 4.740 -0.556 0.000 0.235 321 N C -1.060 174.552 175.510 0.169 0.000 1.209 321 N CA -0.118 53.001 53.050 0.114 0.000 0.879 321 N CB 0.509 39.043 38.487 0.078 0.000 1.136 321 N HN 0.317 nan 8.380 nan 0.000 0.517 322 Y N 1.271 121.595 120.300 0.040 0.000 2.287 322 Y HA 0.506 4.723 4.550 -0.557 0.000 0.325 322 Y C -1.163 174.771 175.900 0.056 0.000 1.139 322 Y CA -1.116 57.007 58.100 0.039 0.000 1.167 322 Y CB 0.840 39.314 38.460 0.022 0.000 1.158 322 Y HN 0.164 nan 8.280 nan 0.000 0.434 323 S N 5.983 121.689 115.700 0.010 0.000 2.715 323 S HA 0.889 5.025 4.470 -0.556 0.000 0.307 323 S C -1.127 173.465 174.600 -0.014 0.000 1.119 323 S CA -0.893 57.363 58.200 0.093 0.000 0.937 323 S CB 2.627 65.866 63.200 0.064 0.000 1.150 323 S HN 0.822 nan 8.310 nan 0.000 0.521 324 I N 0.313 120.938 120.570 0.092 0.000 2.731 324 I HA 0.405 4.241 4.170 -0.556 0.000 0.289 324 I C -2.013 174.171 176.117 0.111 0.000 1.399 324 I CA -0.920 60.430 61.300 0.083 0.000 1.048 324 I CB 1.343 39.427 38.000 0.140 0.000 1.345 324 I HN 0.766 nan 8.210 nan 0.000 0.425 325 I N 5.978 126.594 120.570 0.077 0.000 2.342 325 I HA 0.278 4.114 4.170 -0.556 0.000 0.291 325 I C -0.864 175.322 176.117 0.115 0.000 1.010 325 I CA -0.091 61.229 61.300 0.034 0.000 1.308 325 I CB 1.227 39.174 38.000 -0.088 0.000 1.400 325 I HN 0.454 nan 8.210 nan 0.000 0.488 326 D N 7.732 128.178 120.400 0.076 0.000 2.454 326 D HA 0.376 4.682 4.640 -0.556 0.000 0.247 326 D C -0.440 175.870 176.300 0.018 0.000 1.129 326 D CA -0.360 53.688 54.000 0.081 0.000 0.877 326 D CB 0.917 41.775 40.800 0.097 0.000 1.082 326 D HN 0.264 nan 8.370 nan 0.000 0.537 327 I N 3.885 124.492 120.570 0.063 0.000 2.347 327 I HA 0.185 4.022 4.170 -0.556 0.000 0.294 327 I C 0.023 176.168 176.117 0.047 0.000 1.090 327 I CA -0.484 60.829 61.300 0.022 0.000 1.314 327 I CB 0.358 38.420 38.000 0.103 0.000 1.423 327 I HN 0.243 nan 8.210 nan 0.000 0.503 328 C N 4.991 124.316 119.300 0.042 0.000 2.350 328 C HA 0.364 4.490 4.460 -0.556 0.000 0.348 328 C C 0.193 175.341 174.990 0.263 0.000 1.260 328 C CA -0.648 58.465 59.018 0.157 0.000 1.966 328 C CB 0.530 28.397 27.740 0.212 0.000 2.380 328 C HN 0.589 nan 8.230 nan 0.000 0.535 329 D N 0.749 121.242 120.400 0.156 0.000 2.192 329 D HA 0.207 4.513 4.640 -0.556 0.000 0.246 329 D C -0.617 175.529 176.300 -0.257 0.000 1.042 329 D CA -0.195 53.826 54.000 0.035 0.000 0.847 329 D CB 1.190 41.985 40.800 -0.008 0.000 1.186 329 D HN 0.584 nan 8.370 nan 0.000 0.461 330 Y N 1.743 121.569 120.300 -0.790 0.000 2.496 330 Y HA 0.110 4.327 4.550 -0.556 0.000 0.334 330 Y C 0.032 175.562 175.900 -0.617 0.000 1.080 330 Y CA -0.471 56.846 58.100 -1.305 0.000 1.355 330 Y CB 0.508 38.066 38.460 -1.503 0.000 1.193 330 Y HN 0.178 nan 8.280 nan 0.000 0.523 331 D N 5.567 125.335 120.400 -1.054 0.000 2.468 331 D HA 0.086 4.393 4.640 -0.556 0.000 0.218 331 D C 0.735 176.459 176.300 -0.961 0.000 1.155 331 D CA 0.064 53.616 54.000 -0.746 0.000 0.924 331 D CB 0.451 40.950 40.800 -0.502 0.000 1.029 331 D HN 0.756 nan 8.370 nan 0.000 0.515 332 E N 1.267 121.004 120.200 -0.772 0.000 2.136 332 E HA -0.286 3.730 4.350 -0.556 0.000 0.202 332 E C 1.661 178.080 176.600 -0.302 0.000 1.019 332 E CA 1.599 57.703 56.400 -0.493 0.000 0.819 332 E CB -0.101 29.513 29.700 -0.143 0.000 0.739 332 E HN 0.601 nan 8.360 nan 0.000 0.458 333 S N -0.168 115.384 115.700 -0.246 0.000 2.507 333 S HA -0.082 4.055 4.470 -0.556 0.000 0.235 333 S C 1.792 176.309 174.600 -0.138 0.000 0.988 333 S CA 1.458 59.570 58.200 -0.147 0.000 0.944 333 S CB -0.086 63.045 63.200 -0.115 0.000 0.762 333 S HN 0.377 nan 8.310 nan 0.000 0.526 334 T N -5.347 109.076 114.554 -0.218 0.000 3.046 334 T HA 0.533 4.549 4.350 -0.556 0.000 0.270 334 T C 1.475 176.099 174.700 -0.128 0.000 0.920 334 T CA 0.657 62.670 62.100 -0.145 0.000 0.874 334 T CB 0.063 68.848 68.868 -0.138 0.000 1.214 334 T HN 1.195 nan 8.240 nan 0.000 0.536 335 G N 2.347 110.989 108.800 -0.263 0.000 2.179 335 G HA2 -0.247 3.379 3.960 -0.556 0.000 0.260 335 G HA3 -0.247 3.379 3.960 -0.556 0.000 0.260 335 G C 0.229 175.040 174.900 -0.150 0.000 0.977 335 G CA 0.024 45.122 45.100 -0.004 0.000 0.641 335 G HN 0.717 nan 8.290 nan 0.000 0.533 336 R N -1.075 119.129 120.500 -0.494 0.000 2.615 336 R HA 0.434 4.441 4.340 -0.556 0.000 0.270 336 R C -0.652 175.096 176.300 -0.921 0.000 1.081 336 R CA -0.094 55.436 56.100 -0.950 0.000 1.154 336 R CB 0.533 30.441 30.300 -0.655 0.000 1.063 336 R HN 0.208 nan 8.270 nan 0.000 0.519 337 W N 2.140 122.880 121.300 -0.934 0.000 2.362 337 W HA 0.424 4.751 4.660 -0.555 0.000 0.316 337 W C -0.220 176.226 176.519 -0.121 0.000 1.024 337 W CA -0.300 56.894 57.345 -0.252 0.000 1.270 337 W CB 0.754 30.218 29.460 0.007 0.000 1.273 337 W HN 0.313 nan 8.180 nan 0.000 0.424 338 I N 2.780 123.349 120.570 -0.002 0.000 2.566 338 I HA 0.461 4.297 4.170 -0.556 0.000 0.303 338 I C 0.501 176.659 176.117 0.068 0.000 0.983 338 I CA -0.628 60.687 61.300 0.026 0.000 1.235 338 I CB 1.438 39.404 38.000 -0.058 0.000 1.386 338 I HN 0.166 nan 8.210 nan 0.000 0.494 339 S N 2.345 118.079 115.700 0.057 0.000 2.664 339 S HA 0.733 4.870 4.470 -0.556 0.000 0.304 339 S C -0.590 174.023 174.600 0.022 0.000 1.099 339 S CA -0.726 57.500 58.200 0.044 0.000 1.003 339 S CB 1.880 65.100 63.200 0.033 0.000 1.092 339 S HN 0.759 nan 8.310 nan 0.000 0.525 340 S N -0.361 115.351 115.700 0.020 0.000 2.566 340 S HA 0.338 4.474 4.470 -0.556 0.000 0.273 340 S C 0.382 174.981 174.600 -0.002 0.000 1.157 340 S CA -0.759 57.446 58.200 0.007 0.000 0.938 340 S CB 0.788 63.995 63.200 0.012 0.000 1.087 340 S HN 0.274 nan 8.310 nan 0.000 0.474 341 V N 2.314 122.220 119.914 -0.014 0.000 2.439 341 V HA -0.233 3.554 4.120 -0.556 0.000 0.253 341 V C 2.821 178.887 176.094 -0.046 0.000 1.074 341 V CA 2.729 65.013 62.300 -0.027 0.000 1.076 341 V CB -1.269 30.538 31.823 -0.026 0.000 0.664 341 V HN 1.053 nan 8.190 nan 0.000 0.461 342 A N -0.782 122.017 122.820 -0.035 0.000 2.067 342 A HA -0.100 3.886 4.320 -0.556 0.000 0.217 342 A C 2.259 179.811 177.584 -0.053 0.000 1.156 342 A CA 1.112 53.121 52.037 -0.048 0.000 0.683 342 A CB -0.366 18.623 19.000 -0.019 0.000 0.808 342 A HN 0.474 nan 8.150 nan 0.000 0.455 343 R N -0.332 120.166 120.500 -0.003 0.000 2.388 343 R HA 0.159 4.165 4.340 -0.556 0.000 0.247 343 R C -0.240 176.115 176.300 0.092 0.000 0.931 343 R CA 0.027 56.177 56.100 0.084 0.000 1.082 343 R CB 0.093 30.459 30.300 0.110 0.000 1.135 343 R HN 0.618 nan 8.270 nan 0.000 0.525 344 Q N -0.503 119.254 119.800 -0.071 0.000 2.266 344 Q HA 0.286 4.292 4.340 -0.556 0.000 0.261 344 Q C -1.208 174.633 176.000 -0.265 0.000 0.985 344 Q CA -0.670 55.122 55.803 -0.019 0.000 0.873 344 Q CB 1.935 30.672 28.738 -0.001 0.000 1.306 344 Q HN 0.214 nan 8.270 nan 0.000 0.447 345 H N 0.487 119.603 119.070 0.077 0.000 2.840 345 H HA 0.427 4.649 4.556 -0.556 0.000 0.340 345 H C -0.870 174.470 175.328 0.020 0.000 1.004 345 H CA -0.402 55.699 56.048 0.089 0.000 1.288 345 H CB 0.971 30.829 29.762 0.159 0.000 1.607 345 H HN 0.428 nan 8.280 nan 0.000 0.522 346 I N 1.917 122.526 120.570 0.064 0.000 2.499 346 I HA 0.284 4.120 4.170 -0.556 0.000 0.296 346 I C 0.140 176.213 176.117 -0.074 0.000 0.992 346 I CA -0.339 60.903 61.300 -0.098 0.000 1.297 346 I CB 1.496 39.370 38.000 -0.210 0.000 1.410 346 I HN 0.599 nan 8.210 nan 0.000 0.507 347 E N 7.022 127.121 120.200 -0.168 0.000 2.260 347 E HA 0.590 4.606 4.350 -0.556 0.000 0.266 347 E C -1.509 174.993 176.600 -0.163 0.000 0.887 347 E CA -0.604 55.745 56.400 -0.086 0.000 0.777 347 E CB 2.104 31.796 29.700 -0.014 0.000 1.205 347 E HN 0.610 nan 8.360 nan 0.000 0.414 348 I N 0.171 120.675 120.570 -0.109 0.000 3.145 348 I HA 0.735 4.571 4.170 -0.556 0.000 0.313 348 I C -1.148 174.963 176.117 -0.010 0.000 1.122 348 I CA -0.672 60.584 61.300 -0.073 0.000 0.987 348 I CB 2.507 40.465 38.000 -0.070 0.000 1.236 348 I HN 0.312 nan 8.210 nan 0.000 0.453 349 S N 0.220 115.930 115.700 0.016 0.000 2.547 349 S HA 0.555 4.691 4.470 -0.556 0.000 0.281 349 S C 0.239 174.849 174.600 0.018 0.000 1.118 349 S CA 0.074 58.282 58.200 0.013 0.000 0.947 349 S CB 1.549 64.747 63.200 -0.004 0.000 1.053 349 S HN 0.917 nan 8.310 nan 0.000 0.482 350 T N -0.814 113.750 114.554 0.016 0.000 2.990 350 T HA 0.068 4.084 4.350 -0.556 0.000 0.250 350 T C 1.359 176.064 174.700 0.008 0.000 1.041 350 T CA 0.748 62.856 62.100 0.014 0.000 1.010 350 T CB -0.261 68.617 68.868 0.016 0.000 1.003 350 T HN 0.622 nan 8.240 nan 0.000 0.499 351 T N -1.854 112.713 114.554 0.023 0.000 3.069 351 T HA 0.644 4.660 4.350 -0.556 0.000 0.252 351 T C 1.129 175.778 174.700 -0.085 0.000 1.053 351 T CA 0.344 62.472 62.100 0.047 0.000 0.964 351 T CB 0.444 69.394 68.868 0.138 0.000 1.005 351 T HN 0.689 nan 8.240 nan 0.000 0.532 352 G N 0.870 109.529 108.800 -0.235 0.000 2.593 352 G HA2 0.408 4.034 3.960 -0.556 0.000 0.103 352 G HA3 0.408 4.034 3.960 -0.556 0.000 0.103 352 G C -1.843 172.925 174.900 -0.220 0.000 1.103 352 G CA -0.446 44.356 45.100 -0.497 0.000 1.109 352 G HN 0.550 nan 8.290 nan 0.000 0.516 353 W N 0.531 121.573 121.300 -0.429 0.000 2.647 353 W HA 0.809 5.137 4.660 -0.553 0.000 0.353 353 W C -0.266 176.221 176.519 -0.053 0.000 1.080 353 W CA -1.423 55.797 57.345 -0.210 0.000 1.208 353 W CB 1.291 30.570 29.460 -0.301 0.000 1.396 353 W HN 0.313 nan 8.180 nan 0.000 0.573 354 V N 4.172 124.149 119.914 0.105 0.000 2.715 354 V HA 0.518 4.305 4.120 -0.556 0.000 0.299 354 V C 1.109 177.267 176.094 0.106 0.000 1.054 354 V CA 1.080 63.412 62.300 0.053 0.000 1.077 354 V CB 0.018 31.882 31.823 0.068 0.000 0.972 354 V HN 1.297 nan 8.190 nan 0.000 0.484 355 G N 5.176 114.002 108.800 0.044 0.000 2.749 355 G HA2 -0.247 3.380 3.960 -0.556 0.000 0.242 355 G HA3 -0.247 3.380 3.960 -0.556 0.000 0.242 355 G C 0.501 175.486 174.900 0.142 0.000 1.364 355 G CA 0.553 45.709 45.100 0.093 0.000 0.888 355 G HN 0.677 nan 8.290 nan 0.000 0.566 356 R N -1.352 119.268 120.500 0.201 0.000 2.048 356 R HA 0.236 4.242 4.340 -0.556 0.000 0.224 356 R C 2.108 178.517 176.300 0.182 0.000 1.163 356 R CA 1.885 58.118 56.100 0.221 0.000 0.956 356 R CB -0.074 30.383 30.300 0.261 0.000 0.849 356 R HN 0.439 nan 8.270 nan 0.000 0.435 357 F N -0.144 119.952 119.950 0.243 0.000 2.746 357 F HA 0.291 4.483 4.527 -0.557 0.000 0.320 357 F C 0.265 176.102 175.800 0.063 0.000 1.097 357 F CA -0.437 57.646 58.000 0.139 0.000 1.195 357 F CB 0.809 39.893 39.000 0.141 0.000 1.056 357 F HN -0.056 nan 8.300 nan 0.000 0.562 358 R N -0.741 119.912 120.500 0.255 0.000 2.825 358 R HA 0.266 4.273 4.340 -0.556 0.000 0.274 358 R C -3.423 172.961 176.300 0.141 0.000 1.026 358 R CA -1.608 54.579 56.100 0.144 0.000 0.867 358 R CB 0.172 30.527 30.300 0.092 0.000 1.268 358 R HN -0.349 nan 8.270 nan 0.000 0.491 359 P HA 0.008 nan 4.420 nan 0.000 0.265 359 P C -0.194 177.154 177.300 0.080 0.000 1.187 359 P CA 0.242 63.387 63.100 0.076 0.000 0.766 359 P CB 0.543 32.268 31.700 0.042 0.000 0.820 360 A N 3.708 126.581 122.820 0.087 0.000 2.445 360 A HA 0.097 4.084 4.320 -0.556 0.000 0.242 360 A C 0.651 178.279 177.584 0.073 0.000 1.075 360 A CA -0.264 51.837 52.037 0.108 0.000 0.777 360 A CB -0.144 18.926 19.000 0.118 0.000 1.013 360 A HN 0.519 nan 8.150 nan 0.000 0.493 361 E N 2.485 122.751 120.200 0.110 0.000 2.354 361 E HA 0.233 4.249 4.350 -0.556 0.000 0.269 361 E C -2.280 174.353 176.600 0.055 0.000 1.036 361 E CA -1.389 55.038 56.400 0.045 0.000 0.876 361 E CB 0.498 30.228 29.700 0.049 0.000 1.009 361 E HN 0.485 nan 8.360 nan 0.000 0.416 362 P HA 0.121 nan 4.420 nan 0.000 0.279 362 P C -0.723 176.406 177.300 -0.284 0.000 1.239 362 P CA -0.009 62.865 63.100 -0.377 0.000 0.789 362 P CB 0.782 31.844 31.700 -1.062 0.000 0.933 363 H N 2.742 121.698 119.070 -0.189 0.000 2.736 363 H HA 0.254 4.476 4.556 -0.556 0.000 0.271 363 H C -0.025 175.330 175.328 0.046 0.000 1.184 363 H CA -0.442 55.614 56.048 0.013 0.000 1.378 363 H CB 0.025 29.849 29.762 0.105 0.000 1.428 363 H HN 0.308 nan 8.280 nan 0.000 0.500 364 F N 1.789 121.869 119.950 0.216 0.000 2.496 364 F HA 0.004 4.197 4.527 -0.557 0.000 0.344 364 F C 1.725 177.685 175.800 0.267 0.000 1.155 364 F CA -0.276 57.878 58.000 0.258 0.000 1.302 364 F CB 0.649 39.737 39.000 0.146 0.000 1.159 364 F HN 0.318 nan 8.300 nan 0.000 0.595 365 T N -1.709 113.126 114.554 0.468 0.000 2.868 365 T HA 0.111 4.127 4.350 -0.556 0.000 0.292 365 T C 1.267 176.144 174.700 0.296 0.000 1.028 365 T CA -0.299 62.010 62.100 0.348 0.000 1.059 365 T CB 1.396 70.458 68.868 0.324 0.000 0.991 365 T HN 0.639 nan 8.240 nan 0.000 0.531 366 S N 1.188 117.021 115.700 0.222 0.000 2.369 366 S HA -0.243 3.893 4.470 -0.556 0.000 0.225 366 S C 1.814 176.520 174.600 0.178 0.000 1.043 366 S CA 2.200 60.510 58.200 0.184 0.000 1.074 366 S CB -1.061 62.227 63.200 0.145 0.000 0.962 366 S HN 0.940 nan 8.310 nan 0.000 0.433 367 D N -0.247 120.256 120.400 0.172 0.000 2.221 367 D HA -0.031 4.275 4.640 -0.556 0.000 0.204 367 D C 1.471 177.875 176.300 0.172 0.000 0.982 367 D CA 1.175 55.268 54.000 0.155 0.000 0.857 367 D CB -1.008 39.878 40.800 0.143 0.000 0.934 367 D HN 0.733 nan 8.370 nan 0.000 0.475 368 G N 1.048 109.986 108.800 0.230 0.000 2.136 368 G HA2 -0.326 3.300 3.960 -0.556 0.000 0.242 368 G HA3 -0.326 3.300 3.960 -0.556 0.000 0.242 368 G C 0.581 175.652 174.900 0.284 0.000 0.989 368 G CA 0.400 45.651 45.100 0.251 0.000 0.682 368 G HN 0.501 nan 8.290 nan 0.000 0.522 369 N N -0.339 118.522 118.700 0.269 0.000 2.356 369 N HA 0.277 4.684 4.740 -0.556 0.000 0.178 369 N C 0.894 176.562 175.510 0.262 0.000 1.075 369 N CA 0.631 53.822 53.050 0.235 0.000 0.889 369 N CB 0.301 38.887 38.487 0.164 0.000 0.999 369 N HN 0.603 nan 8.380 nan 0.000 0.464 370 S N -0.129 115.759 115.700 0.314 0.000 2.651 370 S HA 0.725 4.861 4.470 -0.556 0.000 0.279 370 S C -1.159 173.612 174.600 0.285 0.000 1.148 370 S CA -1.020 57.318 58.200 0.229 0.000 0.837 370 S CB 1.726 65.057 63.200 0.218 0.000 1.138 370 S HN 0.183 nan 8.310 nan 0.000 0.478 371 F N -1.895 117.996 119.950 -0.098 0.000 2.678 371 F HA 0.785 4.979 4.527 -0.556 0.000 0.308 371 F C -2.433 173.170 175.800 -0.329 0.000 1.118 371 F CA -1.504 56.311 58.000 -0.308 0.000 0.959 371 F CB 0.612 39.006 39.000 -1.010 0.000 1.305 371 F HN 0.574 nan 8.300 nan 0.000 0.443 372 Y N 1.907 122.279 120.300 0.121 0.000 2.352 372 Y HA 0.655 4.871 4.550 -0.556 0.000 0.339 372 Y C -0.182 175.821 175.900 0.173 0.000 0.992 372 Y CA -0.872 57.270 58.100 0.070 0.000 1.100 372 Y CB 1.923 40.344 38.460 -0.064 0.000 1.192 372 Y HN 0.776 nan 8.280 nan 0.000 0.458 373 K N 3.458 124.034 120.400 0.294 0.000 2.498 373 K HA 0.571 4.557 4.320 -0.556 0.000 0.254 373 K C -1.601 175.129 176.600 0.216 0.000 0.933 373 K CA -0.624 55.796 56.287 0.223 0.000 0.806 373 K CB 1.653 34.225 32.500 0.121 0.000 1.301 373 K HN 0.740 nan 8.250 nan 0.000 0.432 374 I N 6.024 126.685 120.570 0.151 0.000 2.471 374 I HA 0.238 4.075 4.170 -0.556 0.000 0.286 374 I C 0.320 176.539 176.117 0.169 0.000 1.079 374 I CA -0.238 61.149 61.300 0.145 0.000 1.398 374 I CB 0.371 38.425 38.000 0.090 0.000 1.403 374 I HN 0.552 nan 8.210 nan 0.000 0.530 375 I N 1.457 122.170 120.570 0.237 0.000 3.279 375 I HA 0.532 4.368 4.170 -0.556 0.000 0.315 375 I C -0.655 175.605 176.117 0.237 0.000 1.225 375 I CA -0.822 60.613 61.300 0.225 0.000 0.947 375 I CB 2.209 40.366 38.000 0.261 0.000 1.293 375 I HN 0.261 nan 8.210 nan 0.000 0.468 376 S N 2.380 118.163 115.700 0.138 0.000 2.586 376 S HA 0.375 4.512 4.470 -0.556 0.000 0.274 376 S C -0.051 174.597 174.600 0.081 0.000 1.281 376 S CA -0.715 57.504 58.200 0.031 0.000 1.035 376 S CB 0.531 63.687 63.200 -0.073 0.000 0.962 376 S HN 0.581 nan 8.310 nan 0.000 0.512 377 N N 1.964 120.592 118.700 -0.119 0.000 2.328 377 N HA 0.101 4.507 4.740 -0.556 0.000 0.277 377 N C 0.917 176.388 175.510 -0.066 0.000 1.286 377 N CA -0.233 52.666 53.050 -0.250 0.000 0.949 377 N CB 0.143 38.434 38.487 -0.326 0.000 1.136 377 N HN 0.557 nan 8.380 nan 0.000 0.550 378 E N 0.461 120.617 120.200 -0.074 0.000 2.299 378 E HA 0.003 4.019 4.350 -0.556 0.000 0.193 378 E C 0.882 177.458 176.600 -0.039 0.000 0.998 378 E CA 0.812 57.193 56.400 -0.032 0.000 0.851 378 E CB -0.058 29.624 29.700 -0.030 0.000 0.795 378 E HN 0.564 nan 8.360 nan 0.000 0.492 379 E N -0.012 120.157 120.200 -0.052 0.000 2.385 379 E HA 0.103 4.119 4.350 -0.556 0.000 0.194 379 E C 0.585 177.252 176.600 0.110 0.000 1.013 379 E CA 0.407 56.816 56.400 0.016 0.000 0.866 379 E CB 0.203 29.878 29.700 -0.041 0.000 0.832 379 E HN 0.332 nan 8.360 nan 0.000 0.500 380 G N 1.001 109.816 108.800 0.025 0.000 2.140 380 G HA2 -0.249 3.377 3.960 -0.556 0.000 0.211 380 G HA3 -0.249 3.377 3.960 -0.556 0.000 0.211 380 G C -0.593 174.184 174.900 -0.205 0.000 1.013 380 G CA -0.239 44.799 45.100 -0.103 0.000 0.705 380 G HN 0.136 nan 8.290 nan 0.000 0.508 381 Y N 0.152 120.322 120.300 -0.217 0.000 2.377 381 Y HA 0.574 4.791 4.550 -0.555 0.000 0.339 381 Y C 0.710 176.401 175.900 -0.349 0.000 1.011 381 Y CA -1.356 56.581 58.100 -0.273 0.000 1.093 381 Y CB 1.296 39.608 38.460 -0.246 0.000 1.201 381 Y HN -0.116 nan 8.280 nan 0.000 0.455 382 K N 4.708 124.913 120.400 -0.326 0.000 2.336 382 K HA 0.146 4.132 4.320 -0.556 0.000 0.290 382 K C -0.588 175.693 176.600 -0.532 0.000 1.067 382 K CA 0.271 56.392 56.287 -0.276 0.000 0.962 382 K CB -0.323 32.078 32.500 -0.164 0.000 1.008 382 K HN 0.721 nan 8.250 nan 0.000 0.467 383 H N 1.405 120.413 119.070 -0.103 0.000 2.946 383 H HA 0.384 4.607 4.556 -0.556 0.000 0.365 383 H C 0.161 175.544 175.328 0.093 0.000 1.197 383 H CA -0.906 55.053 56.048 -0.148 0.000 1.131 383 H CB 1.652 31.177 29.762 -0.395 0.000 1.849 383 H HN 0.324 nan 8.280 nan 0.000 0.555 384 I N 1.402 122.065 120.570 0.155 0.000 2.471 384 I HA 0.024 3.860 4.170 -0.556 0.000 0.286 384 I C 0.366 176.590 176.117 0.178 0.000 1.079 384 I CA 0.168 61.538 61.300 0.117 0.000 1.398 384 I CB 0.352 38.311 38.000 -0.068 0.000 1.403 384 I HN 0.165 nan 8.210 nan 0.000 0.530 385 c N 6.621 125.273 118.600 0.087 0.000 2.417 385 c HA 0.324 4.560 4.570 -0.556 0.000 0.324 385 c C 0.085 174.086 174.090 -0.149 0.000 1.240 385 c CA -0.457 55.719 56.329 -0.255 0.000 1.632 385 c CB 0.676 42.746 42.510 -0.733 0.000 2.241 385 c HN 0.774 nan 8.230 nan 0.000 0.499 386 H N 3.663 122.469 119.070 -0.439 0.000 2.620 386 H HA 0.497 4.719 4.556 -0.556 0.000 0.313 386 H C -1.059 173.849 175.328 -0.700 0.000 1.075 386 H CA -0.186 55.494 56.048 -0.613 0.000 1.397 386 H CB 0.473 29.948 29.762 -0.479 0.000 1.446 386 H HN 0.580 nan 8.280 nan 0.000 0.493 387 F N 1.990 121.499 119.950 -0.735 0.000 2.556 387 F HA 0.268 4.461 4.527 -0.556 0.000 0.327 387 F C -0.118 175.250 175.800 -0.720 0.000 1.059 387 F CA -0.878 56.564 58.000 -0.928 0.000 0.953 387 F CB 1.855 39.776 39.000 -1.799 0.000 1.227 387 F HN 0.470 nan 8.300 nan 0.000 0.478 388 Q N 0.907 120.567 119.800 -0.232 0.000 2.307 388 Q HA 0.243 4.250 4.340 -0.556 0.000 0.262 388 Q C 0.791 176.896 176.000 0.175 0.000 0.961 388 Q CA -0.135 55.624 55.803 -0.073 0.000 0.882 388 Q CB 1.868 30.555 28.738 -0.085 0.000 1.264 388 Q HN 0.776 nan 8.270 nan 0.000 0.446 389 T N 1.436 116.147 114.554 0.261 0.000 2.680 389 T HA -0.224 3.792 4.350 -0.556 0.000 0.268 389 T C 0.569 175.529 174.700 0.433 0.000 1.033 389 T CA 2.282 64.645 62.100 0.440 0.000 1.152 389 T CB -0.038 69.053 68.868 0.372 0.000 0.859 389 T HN 0.642 nan 8.240 nan 0.000 0.452 390 D N -0.459 120.085 120.400 0.240 0.000 2.538 390 D HA 0.184 4.490 4.640 -0.556 0.000 0.231 390 D C -0.130 176.204 176.300 0.056 0.000 1.229 390 D CA -0.422 53.657 54.000 0.131 0.000 0.828 390 D CB 0.322 41.174 40.800 0.086 0.000 1.035 390 D HN 0.023 nan 8.370 nan 0.000 0.495 391 K N 0.161 120.612 120.400 0.084 0.000 2.397 391 K HA 0.291 4.277 4.320 -0.556 0.000 0.253 391 K C 0.629 177.239 176.600 0.017 0.000 0.932 391 K CA -0.479 55.812 56.287 0.006 0.000 0.795 391 K CB 1.958 34.439 32.500 -0.031 0.000 1.159 391 K HN 0.038 nan 8.250 nan 0.000 0.424 392 S N 0.912 116.583 115.700 -0.048 0.000 2.461 392 S HA -0.026 4.110 4.470 -0.556 0.000 0.228 392 S C 0.458 175.026 174.600 -0.053 0.000 1.005 392 S CA 0.368 58.548 58.200 -0.032 0.000 0.942 392 S CB -0.177 62.983 63.200 -0.066 0.000 0.776 392 S HN 0.518 nan 8.310 nan 0.000 0.514 393 N N 1.638 120.263 118.700 -0.125 0.000 2.514 393 N HA 0.459 4.865 4.740 -0.556 0.000 0.277 393 N C -0.139 175.132 175.510 -0.398 0.000 1.126 393 N CA -0.105 52.811 53.050 -0.223 0.000 0.978 393 N CB 1.123 39.502 38.487 -0.180 0.000 1.106 393 N HN 0.612 nan 8.380 nan 0.000 0.461 394 c N -0.411 117.819 118.600 -0.618 0.000 2.668 394 c HA 0.820 5.057 4.570 -0.556 0.000 0.355 394 c C -0.253 173.431 174.090 -0.677 0.000 1.277 394 c CA -0.671 55.089 56.329 -0.947 0.000 1.787 394 c CB 1.295 42.621 42.510 -1.972 0.000 2.233 394 c HN 0.569 nan 8.230 nan 0.000 0.495 395 T N 2.011 116.204 114.554 -0.601 0.000 2.906 395 T HA 0.434 4.451 4.350 -0.556 0.000 0.302 395 T C -0.757 173.779 174.700 -0.272 0.000 1.002 395 T CA 0.113 62.014 62.100 -0.332 0.000 0.988 395 T CB 0.132 68.935 68.868 -0.107 0.000 0.972 395 T HN 0.489 nan 8.240 nan 0.000 0.447 396 F N 3.354 123.204 119.950 -0.167 0.000 2.608 396 F HA 0.160 4.353 4.527 -0.556 0.000 0.380 396 F C 1.684 177.372 175.800 -0.186 0.000 1.083 396 F CA -0.648 57.249 58.000 -0.172 0.000 1.266 396 F CB 0.292 39.185 39.000 -0.178 0.000 1.076 396 F HN 0.589 nan 8.300 nan 0.000 0.574 397 I N -0.610 119.906 120.570 -0.091 0.000 4.082 397 I HA 0.274 4.111 4.170 -0.556 0.000 0.337 397 I C -0.078 175.921 176.117 -0.197 0.000 1.352 397 I CA -0.020 61.058 61.300 -0.370 0.000 1.097 397 I CB 0.056 37.507 38.000 -0.916 0.000 1.048 397 I HN 0.470 nan 8.210 nan 0.000 0.393 398 T N 0.078 114.539 114.554 -0.155 0.000 2.933 398 T HA 0.660 4.677 4.350 -0.556 0.000 0.305 398 T C -0.772 173.546 174.700 -0.636 0.000 1.092 398 T CA -0.693 61.271 62.100 -0.226 0.000 1.008 398 T CB 2.674 71.452 68.868 -0.149 0.000 1.102 398 T HN 0.290 nan 8.240 nan 0.000 0.469 399 K N 0.758 120.718 120.400 -0.734 0.000 2.512 399 K HA 0.907 4.893 4.320 -0.556 0.000 0.263 399 K C -0.327 175.726 176.600 -0.912 0.000 0.966 399 K CA -0.888 54.743 56.287 -1.094 0.000 0.851 399 K CB 1.705 33.879 32.500 -0.543 0.000 1.395 399 K HN 1.647 nan 8.250 nan 0.000 0.440 400 G N -0.810 107.437 108.800 -0.922 0.000 2.321 400 G HA2 0.376 4.003 3.960 -0.556 0.000 0.339 400 G HA3 0.376 4.003 3.960 -0.556 0.000 0.339 400 G C -1.294 173.127 174.900 -0.798 0.000 1.518 400 G CA -0.374 44.359 45.100 -0.611 0.000 0.994 400 G HN 0.765 nan 8.290 nan 0.000 0.668 401 A N 1.507 124.065 122.820 -0.437 0.000 3.074 401 A HA 0.631 4.617 4.320 -0.556 0.000 0.251 401 A C 0.354 178.036 177.584 0.163 0.000 1.695 401 A CA 0.568 52.236 52.037 -0.615 0.000 1.343 401 A CB -1.150 17.711 19.000 -0.232 0.000 1.078 401 A HN 1.688 nan 8.150 nan 0.000 0.644 402 W N -1.015 120.401 121.300 0.193 0.000 2.895 402 W HA 0.634 4.960 4.660 -0.557 0.000 0.377 402 W C -1.206 175.411 176.519 0.164 0.000 1.191 402 W CA -0.784 56.705 57.345 0.241 0.000 1.179 402 W CB 0.336 29.862 29.460 0.110 0.000 1.469 402 W HN 0.230 nan 8.180 nan 0.000 0.577 403 E N 0.765 121.202 120.200 0.394 0.000 2.340 403 E HA 0.441 4.458 4.350 -0.556 0.000 0.273 403 E C -1.218 175.526 176.600 0.240 0.000 0.891 403 E CA -1.157 55.245 56.400 0.004 0.000 0.757 403 E CB 3.368 33.069 29.700 0.003 0.000 1.231 403 E HN 0.148 nan 8.360 nan 0.000 0.439 404 V N 3.694 123.614 119.914 0.010 0.000 2.508 404 V HA 0.004 3.790 4.120 -0.556 0.000 0.281 404 V C 1.105 177.295 176.094 0.160 0.000 1.041 404 V CA 0.069 62.475 62.300 0.177 0.000 1.016 404 V CB 0.571 32.398 31.823 0.007 0.000 0.984 404 V HN 0.689 nan 8.190 nan 0.000 0.478 405 I N 3.169 123.858 120.570 0.199 0.000 2.494 405 I HA 0.291 4.127 4.170 -0.556 0.000 0.250 405 I C 1.095 177.311 176.117 0.165 0.000 1.112 405 I CA 1.141 62.540 61.300 0.164 0.000 1.438 405 I CB -0.760 37.277 38.000 0.060 0.000 1.111 405 I HN 0.744 nan 8.210 nan 0.000 0.431 406 G N 0.669 109.569 108.800 0.168 0.000 2.579 406 G HA2 0.527 4.154 3.960 -0.556 0.000 0.292 406 G HA3 0.527 4.154 3.960 -0.556 0.000 0.292 406 G C -1.353 173.616 174.900 0.114 0.000 1.484 406 G CA -0.585 44.594 45.100 0.132 0.000 0.813 406 G HN -0.044 nan 8.290 nan 0.000 0.515 407 I N 1.459 122.003 120.570 -0.044 0.000 2.325 407 I HA 0.261 4.097 4.170 -0.556 0.000 0.291 407 I C 0.827 176.919 176.117 -0.041 0.000 1.019 407 I CA -0.474 60.733 61.300 -0.155 0.000 1.302 407 I CB 1.798 39.405 38.000 -0.655 0.000 1.401 407 I HN 0.542 nan 8.210 nan 0.000 0.485 408 E N 4.724 124.948 120.200 0.041 0.000 2.201 408 E HA 0.277 4.293 4.350 -0.556 0.000 0.193 408 E C 0.161 176.720 176.600 -0.067 0.000 0.957 408 E CA 0.269 56.710 56.400 0.069 0.000 0.858 408 E CB 0.958 30.739 29.700 0.136 0.000 0.816 408 E HN 0.709 nan 8.360 nan 0.000 0.475 409 A N 0.708 123.406 122.820 -0.202 0.000 2.594 409 A HA 0.610 4.597 4.320 -0.556 0.000 0.295 409 A C -1.882 175.675 177.584 -0.046 0.000 1.071 409 A CA -0.594 51.270 52.037 -0.289 0.000 0.685 409 A CB 1.504 19.857 19.000 -1.079 0.000 1.285 409 A HN 0.050 nan 8.150 nan 0.000 0.405 410 L N 1.457 122.686 121.223 0.011 0.000 2.470 410 L HA 0.789 4.796 4.340 -0.556 0.000 0.268 410 L C 0.130 177.046 176.870 0.077 0.000 0.964 410 L CA 0.402 55.266 54.840 0.040 0.000 0.839 410 L CB 2.122 44.215 42.059 0.056 0.000 1.276 410 L HN 1.138 nan 8.230 nan 0.000 0.403 411 T N -0.417 114.198 114.554 0.101 0.000 2.905 411 T HA 0.413 4.429 4.350 -0.556 0.000 0.283 411 T C 1.003 175.750 174.700 0.078 0.000 1.031 411 T CA 0.041 62.216 62.100 0.125 0.000 1.002 411 T CB 1.178 70.180 68.868 0.223 0.000 1.200 411 T HN 0.625 nan 8.240 nan 0.000 0.560 412 S N -0.539 115.208 115.700 0.079 0.000 2.507 412 S HA -0.044 4.092 4.470 -0.556 0.000 0.235 412 S C 0.567 175.153 174.600 -0.023 0.000 0.988 412 S CA 0.849 59.078 58.200 0.048 0.000 0.944 412 S CB -0.444 62.789 63.200 0.055 0.000 0.762 412 S HN 0.735 nan 8.310 nan 0.000 0.526 413 D N -1.009 119.341 120.400 -0.082 0.000 2.434 413 D HA 0.218 4.524 4.640 -0.556 0.000 0.288 413 D C -0.425 175.551 176.300 -0.540 0.000 1.083 413 D CA 0.389 54.169 54.000 -0.367 0.000 0.903 413 D CB 0.289 40.721 40.800 -0.615 0.000 1.476 413 D HN 0.432 nan 8.370 nan 0.000 0.502 414 Y N 0.441 120.692 120.300 -0.082 0.000 2.562 414 Y HA 0.529 4.746 4.550 -0.556 0.000 0.343 414 Y C -0.292 175.450 175.900 -0.264 0.000 1.025 414 Y CA -1.247 56.725 58.100 -0.212 0.000 1.082 414 Y CB 2.008 40.257 38.460 -0.353 0.000 1.264 414 Y HN -0.237 nan 8.280 nan 0.000 0.478 415 L N 2.367 123.475 121.223 -0.192 0.000 2.362 415 L HA 0.530 4.537 4.340 -0.556 0.000 0.275 415 L C -2.037 174.694 176.870 -0.233 0.000 0.998 415 L CA -1.253 53.461 54.840 -0.211 0.000 0.820 415 L CB 0.792 42.661 42.059 -0.317 0.000 1.270 415 L HN 0.665 nan 8.230 nan 0.000 0.415 416 Y N 5.863 126.081 120.300 -0.136 0.000 2.335 416 Y HA 0.581 4.797 4.550 -0.556 0.000 0.338 416 Y C -0.248 175.627 175.900 -0.042 0.000 0.977 416 Y CA -0.339 57.650 58.100 -0.185 0.000 1.114 416 Y CB 1.525 39.673 38.460 -0.520 0.000 1.182 416 Y HN 0.591 nan 8.280 nan 0.000 0.463 417 Y N 0.327 120.669 120.300 0.070 0.000 2.644 417 Y HA 0.841 5.057 4.550 -0.556 0.000 0.338 417 Y C -1.771 174.212 175.900 0.139 0.000 1.119 417 Y CA -1.976 56.166 58.100 0.069 0.000 1.060 417 Y CB 1.347 39.828 38.460 0.034 0.000 1.294 417 Y HN 0.389 nan 8.280 nan 0.000 0.472 418 I N 2.877 123.581 120.570 0.223 0.000 2.436 418 I HA 0.583 4.419 4.170 -0.556 0.000 0.289 418 I C -0.663 175.618 176.117 0.273 0.000 1.010 418 I CA -0.540 60.851 61.300 0.152 0.000 1.098 418 I CB 2.039 40.095 38.000 0.094 0.000 1.266 418 I HN 0.865 nan 8.210 nan 0.000 0.434 419 S N 3.547 119.391 115.700 0.239 0.000 2.627 419 S HA 0.441 4.577 4.470 -0.556 0.000 0.283 419 S C -0.529 174.135 174.600 0.106 0.000 1.127 419 S CA -0.896 57.440 58.200 0.227 0.000 0.863 419 S CB 1.807 65.170 63.200 0.272 0.000 1.121 419 S HN 0.636 nan 8.310 nan 0.000 0.479 420 N N -0.056 118.710 118.700 0.111 0.000 2.558 420 N HA 0.144 4.551 4.740 -0.556 0.000 0.281 420 N C 0.365 175.892 175.510 0.028 0.000 1.219 420 N CA -0.383 52.693 53.050 0.043 0.000 0.942 420 N CB 0.365 38.872 38.487 0.032 0.000 1.241 420 N HN 0.867 nan 8.380 nan 0.000 0.511 421 E N 0.279 120.389 120.200 -0.150 0.000 2.042 421 E HA -0.173 3.843 4.350 -0.556 0.000 0.189 421 E C -0.109 176.380 176.600 -0.186 0.000 0.974 421 E CA 0.038 56.154 56.400 -0.473 0.000 0.806 421 E CB -0.213 28.623 29.700 -1.439 0.000 0.769 421 E HN 0.483 nan 8.360 nan 0.000 0.451 422 H N 1.360 120.375 119.070 -0.091 0.000 3.232 422 H HA -0.093 4.129 4.556 -0.556 0.000 0.276 422 H C -0.120 175.194 175.328 -0.023 0.000 0.882 422 H CA 1.289 57.323 56.048 -0.023 0.000 1.415 422 H CB 0.038 29.803 29.762 0.004 0.000 1.405 422 H HN 0.187 nan 8.280 nan 0.000 0.543 423 K N 3.158 123.308 120.400 -0.417 0.000 3.274 423 K HA -0.179 3.807 4.320 -0.556 0.000 0.300 423 K C 1.085 177.649 176.600 -0.059 0.000 1.230 423 K CA 1.212 57.336 56.287 -0.272 0.000 0.884 423 K CB -1.530 30.783 32.500 -0.311 0.000 1.242 423 K HN 1.117 nan 8.250 nan 0.000 0.467 424 G N 0.428 109.207 108.800 -0.035 0.000 2.269 424 G HA2 -0.364 3.262 3.960 -0.556 0.000 0.277 424 G HA3 -0.364 3.262 3.960 -0.556 0.000 0.277 424 G C 0.091 175.057 174.900 0.111 0.000 1.008 424 G CA 1.032 46.175 45.100 0.072 0.000 0.774 424 G HN 0.565 nan 8.290 nan 0.000 0.511 425 M N -1.074 118.516 119.600 -0.018 0.000 2.055 425 M HA 0.478 4.625 4.480 -0.556 0.000 0.347 425 M C -1.134 174.972 176.300 -0.323 0.000 1.123 425 M CA -2.218 52.911 55.300 -0.286 0.000 1.035 425 M CB 1.758 34.134 32.600 -0.373 0.000 1.484 425 M HN -0.096 nan 8.290 nan 0.000 0.428 426 P HA -0.130 nan 4.420 nan 0.000 0.220 426 P C 1.204 178.396 177.300 -0.179 0.000 1.144 426 P CA 1.803 64.807 63.100 -0.161 0.000 0.800 426 P CB -0.089 31.569 31.700 -0.070 0.000 0.772 427 G N -0.580 108.015 108.800 -0.342 0.000 2.848 427 G HA2 0.203 3.830 3.960 -0.556 0.000 0.208 427 G HA3 0.203 3.830 3.960 -0.556 0.000 0.208 427 G C 0.749 175.681 174.900 0.052 0.000 1.152 427 G CA 0.274 45.293 45.100 -0.135 0.000 0.789 427 G HN 0.492 nan 8.290 nan 0.000 0.531 428 G N -0.513 108.271 108.800 -0.027 0.000 2.511 428 G HA2 0.668 4.294 3.960 -0.556 0.000 0.318 428 G HA3 0.668 4.294 3.960 -0.556 0.000 0.318 428 G C -0.955 173.849 174.900 -0.159 0.000 1.210 428 G CA -0.797 44.325 45.100 0.036 0.000 0.969 428 G HN 0.075 nan 8.290 nan 0.000 0.484 429 R N 0.607 120.940 120.500 -0.278 0.000 2.725 429 R HA 0.547 4.553 4.340 -0.556 0.000 0.277 429 R C -1.183 175.078 176.300 -0.064 0.000 0.987 429 R CA -0.955 54.965 56.100 -0.300 0.000 0.901 429 R CB 2.052 31.936 30.300 -0.693 0.000 1.207 429 R HN 0.594 nan 8.270 nan 0.000 0.463 430 N N 0.908 119.591 118.700 -0.028 0.000 2.396 430 N HA 0.298 4.704 4.740 -0.556 0.000 0.275 430 N C -1.491 173.887 175.510 -0.220 0.000 1.218 430 N CA -0.747 52.207 53.050 -0.160 0.000 0.812 430 N CB 2.734 41.060 38.487 -0.268 0.000 1.592 430 N HN 0.264 nan 8.380 nan 0.000 0.480 431 L N 2.479 123.418 121.223 -0.472 0.000 2.265 431 L HA 0.459 4.466 4.340 -0.556 0.000 0.288 431 L C -1.398 175.101 176.870 -0.618 0.000 1.058 431 L CA 0.041 54.634 54.840 -0.410 0.000 0.809 431 L CB -0.245 41.566 42.059 -0.412 0.000 1.179 431 L HN 0.405 nan 8.230 nan 0.000 0.429 432 Y N 4.314 124.264 120.300 -0.583 0.000 2.485 432 Y HA 0.642 4.858 4.550 -0.556 0.000 0.345 432 Y C -0.087 175.455 175.900 -0.597 0.000 0.998 432 Y CA -0.688 57.002 58.100 -0.683 0.000 1.059 432 Y CB 1.690 39.486 38.460 -1.107 0.000 1.234 432 Y HN 0.516 nan 8.280 nan 0.000 0.461 433 R N 3.326 123.676 120.500 -0.251 0.000 2.534 433 R HA 0.693 4.700 4.340 -0.556 0.000 0.301 433 R C -1.828 174.418 176.300 -0.090 0.000 0.961 433 R CA -0.673 55.211 56.100 -0.360 0.000 0.871 433 R CB 1.380 31.337 30.300 -0.573 0.000 1.170 433 R HN 0.881 nan 8.270 nan 0.000 0.446 434 I N 2.605 123.166 120.570 -0.015 0.000 2.530 434 I HA 0.279 4.116 4.170 -0.556 0.000 0.297 434 I C -0.847 175.328 176.117 0.096 0.000 1.011 434 I CA -0.784 60.580 61.300 0.107 0.000 1.107 434 I CB 2.009 40.105 38.000 0.161 0.000 1.285 434 I HN 0.688 nan 8.210 nan 0.000 0.436 435 Q N 5.168 125.050 119.800 0.136 0.000 2.314 435 Q HA 0.178 4.185 4.340 -0.556 0.000 0.257 435 Q C 0.193 176.231 176.000 0.062 0.000 0.975 435 Q CA -0.614 55.219 55.803 0.051 0.000 0.933 435 Q CB 1.333 30.100 28.738 0.048 0.000 1.195 435 Q HN 0.770 nan 8.270 nan 0.000 0.426 436 L N 3.817 125.017 121.223 -0.038 0.000 2.079 436 L HA -0.243 3.763 4.340 -0.556 0.000 0.210 436 L C 1.813 178.744 176.870 0.102 0.000 1.081 436 L CA 1.840 56.745 54.840 0.108 0.000 0.752 436 L CB -0.897 41.149 42.059 -0.021 0.000 0.896 436 L HN 0.764 nan 8.230 nan 0.000 0.433 437 N N -2.092 116.580 118.700 -0.048 0.000 2.463 437 N HA -0.073 4.333 4.740 -0.556 0.000 0.181 437 N C -0.021 175.395 175.510 -0.156 0.000 1.078 437 N CA 0.496 53.488 53.050 -0.097 0.000 0.902 437 N CB -0.094 38.339 38.487 -0.090 0.000 0.970 437 N HN 0.217 nan 8.380 nan 0.000 0.451 438 D N -0.329 120.008 120.400 -0.106 0.000 2.319 438 D HA 0.063 4.369 4.640 -0.556 0.000 0.237 438 D C -0.887 175.448 176.300 0.059 0.000 1.353 438 D CA -0.572 53.369 54.000 -0.099 0.000 0.992 438 D CB 0.066 40.842 40.800 -0.040 0.000 1.368 438 D HN -0.027 nan 8.370 nan 0.000 0.564 439 Y N 1.670 121.981 120.300 0.018 0.000 2.497 439 Y HA 0.118 4.334 4.550 -0.556 0.000 0.345 439 Y C 1.822 177.742 175.900 0.033 0.000 1.204 439 Y CA 0.137 58.254 58.100 0.029 0.000 1.265 439 Y CB -0.580 37.900 38.460 0.034 0.000 1.121 439 Y HN 0.228 nan 8.280 nan 0.000 0.493 440 T N -1.933 112.711 114.554 0.150 0.000 2.955 440 T HA 0.084 4.101 4.350 -0.556 0.000 0.251 440 T C 0.600 175.357 174.700 0.095 0.000 1.002 440 T CA -0.141 62.020 62.100 0.102 0.000 0.970 440 T CB 0.323 69.224 68.868 0.055 0.000 1.091 440 T HN 0.078 nan 8.240 nan 0.000 0.495 441 K N 2.582 123.041 120.400 0.097 0.000 2.206 441 K HA 0.494 4.480 4.320 -0.556 0.000 0.268 441 K C -1.094 175.575 176.600 0.114 0.000 1.111 441 K CA -0.200 56.141 56.287 0.090 0.000 0.955 441 K CB 1.266 33.815 32.500 0.081 0.000 1.406 441 K HN 0.044 nan 8.250 nan 0.000 0.427 442 V N 2.098 122.080 119.914 0.113 0.000 2.569 442 V HA 0.435 4.222 4.120 -0.556 0.000 0.301 442 V C -0.941 175.218 176.094 0.108 0.000 1.044 442 V CA -0.263 62.119 62.300 0.135 0.000 0.874 442 V CB 1.883 33.823 31.823 0.196 0.000 1.002 442 V HN 0.681 nan 8.190 nan 0.000 0.424 443 T N 5.569 120.153 114.554 0.050 0.000 2.912 443 T HA 0.490 4.507 4.350 -0.556 0.000 0.288 443 T C -0.716 173.908 174.700 -0.125 0.000 1.030 443 T CA -0.391 61.698 62.100 -0.019 0.000 1.020 443 T CB 1.262 70.096 68.868 -0.056 0.000 1.056 443 T HN 1.058 nan 8.240 nan 0.000 0.480 444 C N 6.599 125.745 119.300 -0.257 0.000 2.281 444 C HA 0.550 4.676 4.460 -0.556 0.000 0.323 444 C C 1.634 176.329 174.990 -0.491 0.000 1.270 444 C CA -0.784 57.854 59.018 -0.634 0.000 1.559 444 C CB -1.678 25.557 27.740 -0.843 0.000 2.239 444 C HN 0.986 nan 8.230 nan 0.000 0.488 445 L N 4.436 125.361 121.223 -0.497 0.000 2.068 445 L HA 0.011 4.018 4.340 -0.556 0.000 0.204 445 L C 2.577 179.163 176.870 -0.474 0.000 1.076 445 L CA 1.616 56.230 54.840 -0.377 0.000 0.753 445 L CB -0.867 41.011 42.059 -0.302 0.000 0.910 445 L HN 0.825 nan 8.230 nan 0.000 0.439 446 S N -1.104 114.172 115.700 -0.706 0.000 2.414 446 S HA -0.129 4.007 4.470 -0.556 0.000 0.227 446 S C 2.158 176.334 174.600 -0.707 0.000 1.022 446 S CA 0.617 58.240 58.200 -0.962 0.000 0.958 446 S CB -0.926 61.136 63.200 -1.896 0.000 0.797 446 S HN 0.379 nan 8.310 nan 0.000 0.493 447 C N 1.861 120.747 119.300 -0.690 0.000 2.347 447 C HA -0.157 3.970 4.460 -0.556 0.000 0.270 447 C C 2.598 177.342 174.990 -0.411 0.000 1.145 447 C CA 1.749 60.347 59.018 -0.699 0.000 1.802 447 C CB -1.239 26.026 27.740 -0.792 0.000 2.084 447 C HN 0.605 nan 8.230 nan 0.000 0.446 448 E N -0.491 119.554 120.200 -0.257 0.000 2.498 448 E HA 0.223 4.240 4.350 -0.556 0.000 0.203 448 E C 1.807 178.370 176.600 -0.062 0.000 1.013 448 E CA -0.148 56.186 56.400 -0.111 0.000 0.927 448 E CB -0.171 29.485 29.700 -0.074 0.000 1.012 448 E HN 0.545 nan 8.360 nan 0.000 0.482 449 L N 0.018 121.197 121.223 -0.074 0.000 1.951 449 L HA -0.195 3.811 4.340 -0.556 0.000 0.222 449 L C 0.169 177.053 176.870 0.024 0.000 1.078 449 L CA 1.373 56.209 54.840 -0.007 0.000 0.778 449 L CB -0.221 41.853 42.059 0.026 0.000 0.893 449 L HN 0.086 nan 8.230 nan 0.000 0.436 450 N N -1.319 117.412 118.700 0.053 0.000 2.750 450 N HA 0.129 4.535 4.740 -0.556 0.000 0.253 450 N C -1.949 173.589 175.510 0.045 0.000 1.408 450 N CA -0.797 52.275 53.050 0.037 0.000 0.780 450 N CB 1.141 39.640 38.487 0.021 0.000 1.191 450 N HN -0.010 nan 8.380 nan 0.000 0.511 451 P HA -0.241 nan 4.420 nan 0.000 0.218 451 P C 0.543 177.881 177.300 0.063 0.000 1.152 451 P CA 1.591 64.733 63.100 0.070 0.000 0.857 451 P CB 0.595 32.338 31.700 0.072 0.000 0.787 452 E N -0.618 119.604 120.200 0.036 0.000 2.112 452 E HA -0.072 3.945 4.350 -0.556 0.000 0.190 452 E C 2.287 178.892 176.600 0.008 0.000 0.979 452 E CA 0.799 57.213 56.400 0.024 0.000 0.814 452 E CB -0.658 29.048 29.700 0.011 0.000 0.762 452 E HN 0.310 nan 8.360 nan 0.000 0.460 453 R N -0.563 119.932 120.500 -0.010 0.000 2.173 453 R HA 0.103 4.110 4.340 -0.556 0.000 0.208 453 R C -0.162 176.098 176.300 -0.068 0.000 1.035 453 R CA 0.552 56.624 56.100 -0.046 0.000 1.004 453 R CB 0.368 30.629 30.300 -0.065 0.000 0.917 453 R HN 0.046 nan 8.270 nan 0.000 0.462 454 c N 0.678 119.250 118.600 -0.045 0.000 2.346 454 c HA 0.428 4.664 4.570 -0.556 0.000 0.326 454 c C 0.059 174.179 174.090 0.050 0.000 1.224 454 c CA -0.720 55.538 56.329 -0.118 0.000 1.408 454 c CB 1.473 43.838 42.510 -0.241 0.000 2.089 454 c HN 0.518 nan 8.230 nan 0.000 0.456 455 Q N 0.223 120.054 119.800 0.052 0.000 2.081 455 Q HA 0.186 4.192 4.340 -0.556 0.000 0.220 455 Q C -0.962 175.165 176.000 0.211 0.000 0.775 455 Q CA 0.119 56.026 55.803 0.172 0.000 0.983 455 Q CB 1.370 30.201 28.738 0.155 0.000 1.188 455 Q HN 0.800 nan 8.270 nan 0.000 0.458 456 Y N 0.384 120.666 120.300 -0.029 0.000 2.329 456 Y HA 0.436 4.652 4.550 -0.556 0.000 0.328 456 Y C -1.513 174.349 175.900 -0.063 0.000 0.992 456 Y CA -0.946 57.177 58.100 0.040 0.000 1.151 456 Y CB 0.963 39.464 38.460 0.068 0.000 1.150 456 Y HN -0.106 nan 8.280 nan 0.000 0.450 457 Y N 1.909 122.204 120.300 -0.008 0.000 2.576 457 Y HA 0.689 4.905 4.550 -0.556 0.000 0.346 457 Y C -0.111 175.818 175.900 0.048 0.000 1.018 457 Y CA -0.796 57.298 58.100 -0.010 0.000 1.050 457 Y CB 2.425 40.806 38.460 -0.132 0.000 1.280 457 Y HN 0.519 nan 8.280 nan 0.000 0.474 458 S N 0.529 116.403 115.700 0.289 0.000 2.697 458 S HA 1.004 5.140 4.470 -0.556 0.000 0.289 458 S C -1.233 173.471 174.600 0.175 0.000 1.149 458 S CA -0.648 57.708 58.200 0.259 0.000 0.850 458 S CB 2.180 65.624 63.200 0.407 0.000 1.151 458 S HN 1.138 nan 8.310 nan 0.000 0.491 459 A N 0.199 123.122 122.820 0.171 0.000 2.572 459 A HA 0.865 4.851 4.320 -0.556 0.000 0.295 459 A C -0.829 176.870 177.584 0.193 0.000 1.072 459 A CA -0.623 51.483 52.037 0.114 0.000 0.691 459 A CB 1.626 20.632 19.000 0.010 0.000 1.291 459 A HN 1.250 nan 8.150 nan 0.000 0.404 460 S N 0.598 116.391 115.700 0.156 0.000 2.707 460 S HA 0.730 4.866 4.470 -0.556 0.000 0.303 460 S C -1.454 173.296 174.600 0.250 0.000 1.132 460 S CA -0.318 58.080 58.200 0.330 0.000 1.046 460 S CB -0.063 63.388 63.200 0.419 0.000 1.004 460 S HN 0.451 nan 8.310 nan 0.000 0.483 461 F N 2.931 122.933 119.950 0.088 0.000 2.397 461 F HA 0.480 4.673 4.527 -0.556 0.000 0.331 461 F C 1.306 176.633 175.800 -0.789 0.000 1.090 461 F CA -0.404 57.455 58.000 -0.234 0.000 1.065 461 F CB 1.572 40.426 39.000 -0.243 0.000 1.184 461 F HN 0.643 nan 8.300 nan 0.000 0.499 462 S N 1.470 116.503 115.700 -1.112 0.000 2.612 462 S HA 0.052 4.188 4.470 -0.556 0.000 0.253 462 S C 1.067 175.450 174.600 -0.361 0.000 1.346 462 S CA -0.160 57.251 58.200 -1.315 0.000 0.976 462 S CB 0.195 62.864 63.200 -0.885 0.000 0.949 462 S HN 0.763 nan 8.310 nan 0.000 0.584 463 N N 0.921 119.559 118.700 -0.104 0.000 2.021 463 N HA -0.139 4.267 4.740 -0.556 0.000 0.198 463 N C 0.697 176.228 175.510 0.035 0.000 1.041 463 N CA 1.418 54.492 53.050 0.040 0.000 0.862 463 N CB -0.257 38.298 38.487 0.113 0.000 1.048 463 N HN 0.598 nan 8.380 nan 0.000 0.427 464 K N 0.762 121.185 120.400 0.037 0.000 2.811 464 K HA 0.345 4.331 4.320 -0.556 0.000 0.217 464 K C -0.033 176.576 176.600 0.014 0.000 1.115 464 K CA -0.124 56.189 56.287 0.044 0.000 1.179 464 K CB 0.811 33.352 32.500 0.068 0.000 0.994 464 K HN 0.204 nan 8.250 nan 0.000 0.464 465 A N 1.236 124.045 122.820 -0.019 0.000 2.774 465 A HA -0.315 3.672 4.320 -0.556 0.000 0.290 465 A C 1.197 178.777 177.584 -0.008 0.000 1.484 465 A CA 1.508 53.544 52.037 -0.002 0.000 0.863 465 A CB -1.548 17.353 19.000 -0.166 0.000 0.989 465 A HN 0.571 nan 8.150 nan 0.000 0.554 466 K N -2.360 117.992 120.400 -0.080 0.000 2.217 466 K HA 0.115 4.102 4.320 -0.556 0.000 0.202 466 K C 0.115 176.334 176.600 -0.635 0.000 1.051 466 K CA 1.272 57.396 56.287 -0.273 0.000 0.952 466 K CB 0.072 32.459 32.500 -0.189 0.000 0.736 466 K HN 0.718 nan 8.250 nan 0.000 0.453 467 Y N -0.982 119.239 120.300 -0.132 0.000 2.609 467 Y HA 0.348 4.564 4.550 -0.556 0.000 0.342 467 Y C -0.881 174.847 175.900 -0.287 0.000 1.058 467 Y CA -1.555 56.430 58.100 -0.193 0.000 1.055 467 Y CB 1.790 40.170 38.460 -0.133 0.000 1.292 467 Y HN -0.031 nan 8.280 nan 0.000 0.476 468 Y N -0.988 119.242 120.300 -0.117 0.000 2.521 468 Y HA 0.458 4.675 4.550 -0.556 0.000 0.328 468 Y C -1.537 174.351 175.900 -0.021 0.000 1.151 468 Y CA -1.347 56.533 58.100 -0.368 0.000 1.054 468 Y CB 1.341 38.937 38.460 -1.440 0.000 1.338 468 Y HN 0.613 nan 8.280 nan 0.000 0.453 469 Q N 3.932 123.851 119.800 0.198 0.000 2.256 469 Q HA 0.626 4.632 4.340 -0.556 0.000 0.257 469 Q C -1.859 174.205 176.000 0.107 0.000 0.936 469 Q CA -0.806 55.063 55.803 0.110 0.000 0.903 469 Q CB 1.542 30.305 28.738 0.042 0.000 1.263 469 Q HN 0.950 nan 8.270 nan 0.000 0.440 470 L N 3.834 125.111 121.223 0.091 0.000 2.295 470 L HA 0.516 4.522 4.340 -0.556 0.000 0.285 470 L C -0.648 176.159 176.870 -0.105 0.000 1.035 470 L CA -0.827 54.052 54.840 0.065 0.000 0.806 470 L CB 1.416 43.525 42.059 0.084 0.000 1.214 470 L HN 0.632 nan 8.230 nan 0.000 0.426 471 R N 2.313 122.677 120.500 -0.227 0.000 2.275 471 R HA 0.273 4.279 4.340 -0.556 0.000 0.326 471 R C -0.827 174.825 176.300 -1.080 0.000 0.973 471 R CA -0.276 55.324 56.100 -0.835 0.000 0.854 471 R CB 1.117 30.970 30.300 -0.746 0.000 1.156 471 R HN 0.514 nan 8.270 nan 0.000 0.487 472 c N 4.793 122.713 118.600 -1.134 0.000 2.303 472 c HA 0.429 4.666 4.570 -0.556 0.000 0.341 472 c C 0.307 173.886 174.090 -0.853 0.000 1.244 472 c CA -0.542 55.153 56.329 -1.056 0.000 1.765 472 c CB -1.077 40.961 42.510 -0.786 0.000 2.379 472 c HN 0.957 nan 8.230 nan 0.000 0.530 473 F N 4.463 124.276 119.950 -0.228 0.000 2.653 473 F HA 0.454 4.648 4.527 -0.555 0.000 0.304 473 F C 1.452 177.233 175.800 -0.033 0.000 1.092 473 F CA 0.629 58.581 58.000 -0.079 0.000 1.279 473 F CB 0.180 39.159 39.000 -0.034 0.000 1.044 473 F HN 0.979 nan 8.300 nan 0.000 0.564 474 G N 0.289 109.116 108.800 0.046 0.000 2.359 474 G HA2 0.054 3.681 3.960 -0.556 0.000 0.293 474 G HA3 0.054 3.681 3.960 -0.556 0.000 0.293 474 G C -2.478 172.440 174.900 0.030 0.000 1.300 474 G CA -0.672 44.471 45.100 0.072 0.000 0.888 474 G HN -0.282 nan 8.290 nan 0.000 0.541 475 P HA 0.066 nan 4.420 nan 0.000 0.220 475 P C 1.368 178.714 177.300 0.077 0.000 1.148 475 P CA 1.704 64.854 63.100 0.084 0.000 0.803 475 P CB 0.089 31.826 31.700 0.062 0.000 0.782 476 G N 0.344 109.125 108.800 -0.032 0.000 2.588 476 G HA2 0.348 3.974 3.960 -0.556 0.000 0.278 476 G HA3 0.348 3.974 3.960 -0.556 0.000 0.278 476 G C -0.080 174.619 174.900 -0.336 0.000 1.307 476 G CA -0.712 44.297 45.100 -0.153 0.000 1.016 476 G HN 0.059 nan 8.290 nan 0.000 0.503 477 L N 1.016 121.944 121.223 -0.492 0.000 2.506 477 L HA 0.108 4.115 4.340 -0.556 0.000 0.281 477 L C -1.731 174.979 176.870 -0.266 0.000 1.228 477 L CA -1.161 53.324 54.840 -0.591 0.000 0.850 477 L CB 0.400 42.208 42.059 -0.418 0.000 1.110 477 L HN 0.266 nan 8.230 nan 0.000 0.496 478 P HA 0.075 nan 4.420 nan 0.000 0.269 478 P C -1.012 176.254 177.300 -0.057 0.000 1.211 478 P CA -0.054 63.017 63.100 -0.049 0.000 0.781 478 P CB 0.543 32.375 31.700 0.220 0.000 0.877 479 L N 2.805 123.910 121.223 -0.197 0.000 2.562 479 L HA 0.434 4.440 4.340 -0.556 0.000 0.266 479 L C -2.021 174.706 176.870 -0.238 0.000 0.949 479 L CA -0.527 54.253 54.840 -0.101 0.000 0.879 479 L CB 0.897 42.872 42.059 -0.140 0.000 1.278 479 L HN 0.198 nan 8.230 nan 0.000 0.404 480 Y N 2.733 122.949 120.300 -0.140 0.000 2.335 480 Y HA 0.806 5.022 4.550 -0.557 0.000 0.338 480 Y C 0.609 176.388 175.900 -0.202 0.000 0.977 480 Y CA -0.385 57.611 58.100 -0.172 0.000 1.114 480 Y CB 2.170 40.531 38.460 -0.166 0.000 1.182 480 Y HN 0.682 nan 8.280 nan 0.000 0.463 481 T N 0.511 115.034 114.554 -0.051 0.000 2.883 481 T HA 0.698 4.714 4.350 -0.556 0.000 0.296 481 T C -1.670 172.969 174.700 -0.101 0.000 1.117 481 T CA -0.914 61.132 62.100 -0.092 0.000 1.006 481 T CB 1.888 70.763 68.868 0.011 0.000 1.191 481 T HN 0.379 nan 8.240 nan 0.000 0.508 482 L N 1.704 122.782 121.223 -0.241 0.000 2.313 482 L HA 0.694 4.700 4.340 -0.556 0.000 0.283 482 L C -1.344 175.286 176.870 -0.401 0.000 1.013 482 L CA -0.257 54.465 54.840 -0.197 0.000 0.816 482 L CB 0.926 42.887 42.059 -0.164 0.000 1.236 482 L HN 0.873 nan 8.230 nan 0.000 0.419 483 H N 1.487 120.318 119.070 -0.398 0.000 2.622 483 H HA 0.574 4.797 4.556 -0.556 0.000 0.363 483 H C -0.753 174.308 175.328 -0.446 0.000 1.151 483 H CA -0.570 55.135 56.048 -0.571 0.000 1.184 483 H CB 1.978 31.067 29.762 -1.123 0.000 1.643 483 H HN 0.520 nan 8.280 nan 0.000 0.531 484 S N 0.782 116.397 115.700 -0.142 0.000 2.457 484 S HA 0.159 4.295 4.470 -0.556 0.000 0.289 484 S C 0.853 175.335 174.600 -0.198 0.000 1.163 484 S CA -0.547 57.540 58.200 -0.188 0.000 1.078 484 S CB 0.627 63.797 63.200 -0.049 0.000 0.987 484 S HN 0.685 nan 8.310 nan 0.000 0.482 485 S N 3.531 119.100 115.700 -0.219 0.000 2.400 485 S HA -0.134 4.002 4.470 -0.556 0.000 0.232 485 S C 2.244 176.827 174.600 -0.028 0.000 1.025 485 S CA 1.570 59.791 58.200 0.035 0.000 0.993 485 S CB -0.406 62.819 63.200 0.041 0.000 0.808 485 S HN 0.955 nan 8.310 nan 0.000 0.478 486 S N 2.080 117.712 115.700 -0.115 0.000 2.359 486 S HA -0.136 4.001 4.470 -0.556 0.000 0.222 486 S C 1.721 176.301 174.600 -0.033 0.000 1.038 486 S CA 1.605 59.764 58.200 -0.069 0.000 1.051 486 S CB -0.572 62.581 63.200 -0.079 0.000 0.944 486 S HN 0.601 nan 8.310 nan 0.000 0.433 487 S N -0.282 115.402 115.700 -0.027 0.000 2.650 487 S HA 0.296 4.432 4.470 -0.556 0.000 0.240 487 S C -0.268 174.338 174.600 0.010 0.000 1.007 487 S CA 0.087 58.283 58.200 -0.007 0.000 0.984 487 S CB -0.119 63.078 63.200 -0.004 0.000 0.910 487 S HN 0.300 nan 8.310 nan 0.000 0.509 488 D N 1.304 121.722 120.400 0.030 0.000 2.792 488 D HA -0.157 4.149 4.640 -0.556 0.000 0.231 488 D C 0.025 176.374 176.300 0.082 0.000 1.160 488 D CA 1.243 55.295 54.000 0.086 0.000 0.697 488 D CB -0.978 39.867 40.800 0.075 0.000 1.070 488 D HN 0.563 nan 8.370 nan 0.000 0.426 489 K N 0.727 121.139 120.400 0.020 0.000 2.270 489 K HA 0.132 4.118 4.320 -0.556 0.000 0.276 489 K C 1.218 177.759 176.600 -0.099 0.000 1.023 489 K CA -0.148 56.129 56.287 -0.016 0.000 0.955 489 K CB 0.971 33.454 32.500 -0.029 0.000 0.975 489 K HN -0.109 nan 8.250 nan 0.000 0.471 490 E N 3.671 123.788 120.200 -0.137 0.000 2.097 490 E HA -0.214 3.802 4.350 -0.556 0.000 0.196 490 E C 0.633 176.970 176.600 -0.439 0.000 1.000 490 E CA 1.972 58.165 56.400 -0.346 0.000 0.804 490 E CB -0.110 29.491 29.700 -0.166 0.000 0.740 490 E HN 0.685 nan 8.360 nan 0.000 0.454 491 L N -1.809 119.277 121.223 -0.228 0.000 3.730 491 L HA -0.391 3.615 4.340 -0.556 0.000 0.053 491 L C 0.520 177.297 176.870 -0.156 0.000 4.266 491 L CA 3.128 57.867 54.840 -0.169 0.000 0.726 491 L CB -1.159 40.792 42.059 -0.179 0.000 3.467 491 L HN 0.607 nan 8.230 nan 0.000 0.870 492 R N -1.617 118.758 120.500 -0.209 0.000 2.692 492 R HA 0.687 4.693 4.340 -0.556 0.000 0.269 492 R C -1.524 174.660 176.300 -0.193 0.000 1.030 492 R CA -0.818 55.185 56.100 -0.162 0.000 0.882 492 R CB 1.632 31.863 30.300 -0.116 0.000 1.250 492 R HN -0.046 nan 8.270 nan 0.000 0.465 493 V N 3.801 123.630 119.914 -0.143 0.000 2.348 493 V HA 0.169 3.955 4.120 -0.556 0.000 0.270 493 V C 1.423 177.418 176.094 -0.165 0.000 1.037 493 V CA -0.489 61.733 62.300 -0.131 0.000 0.872 493 V CB 0.942 32.721 31.823 -0.075 0.000 1.002 493 V HN 0.692 nan 8.190 nan 0.000 0.464 494 L N 2.483 123.541 121.223 -0.275 0.000 2.109 494 L HA 0.128 4.135 4.340 -0.556 0.000 0.207 494 L C 0.868 177.635 176.870 -0.171 0.000 1.086 494 L CA 1.089 55.637 54.840 -0.487 0.000 0.760 494 L CB 0.095 41.451 42.059 -1.172 0.000 0.910 494 L HN 0.664 nan 8.230 nan 0.000 0.437 495 E N -0.187 119.987 120.200 -0.044 0.000 2.349 495 E HA 0.068 4.085 4.350 -0.556 0.000 0.290 495 E C -0.997 175.651 176.600 0.081 0.000 0.901 495 E CA -0.362 56.071 56.400 0.054 0.000 0.800 495 E CB 0.899 30.634 29.700 0.058 0.000 1.303 495 E HN 0.146 nan 8.360 nan 0.000 0.397 496 D N 3.183 123.606 120.400 0.038 0.000 2.398 496 D HA 0.103 4.409 4.640 -0.556 0.000 0.210 496 D C -0.192 176.115 176.300 0.012 0.000 1.094 496 D CA -0.231 53.781 54.000 0.020 0.000 0.839 496 D CB -0.026 40.772 40.800 -0.003 0.000 0.963 496 D HN 0.451 nan 8.370 nan 0.000 0.506 497 N N 0.469 119.184 118.700 0.025 0.000 2.725 497 N HA -0.211 4.195 4.740 -0.556 0.000 0.249 497 N C 0.899 176.409 175.510 0.001 0.000 1.103 497 N CA 0.910 53.968 53.050 0.014 0.000 0.707 497 N CB -1.354 37.138 38.487 0.009 0.000 1.043 497 N HN 0.460 nan 8.380 nan 0.000 0.553 498 S N -1.145 114.557 115.700 0.003 0.000 2.400 498 S HA -0.095 4.042 4.470 -0.556 0.000 0.232 498 S C 2.069 176.677 174.600 0.014 0.000 1.025 498 S CA 1.057 59.259 58.200 0.003 0.000 0.993 498 S CB -0.136 63.067 63.200 0.004 0.000 0.808 498 S HN 0.534 nan 8.310 nan 0.000 0.478 499 A N 1.861 124.692 122.820 0.018 0.000 1.898 499 A HA 0.137 4.123 4.320 -0.556 0.000 0.216 499 A C 2.190 179.804 177.584 0.051 0.000 1.181 499 A CA 1.392 53.445 52.037 0.027 0.000 0.620 499 A CB -0.790 18.219 19.000 0.016 0.000 0.819 499 A HN 0.488 nan 8.150 nan 0.000 0.442 500 L N 0.529 121.787 121.223 0.058 0.000 2.083 500 L HA -0.157 3.849 4.340 -0.556 0.000 0.209 500 L C 1.941 178.869 176.870 0.095 0.000 1.083 500 L CA 2.620 57.524 54.840 0.107 0.000 0.752 500 L CB -0.688 41.429 42.059 0.097 0.000 0.899 500 L HN 0.550 nan 8.230 nan 0.000 0.433 501 D N -0.620 119.801 120.400 0.035 0.000 2.117 501 D HA -0.277 4.029 4.640 -0.556 0.000 0.197 501 D C 2.037 178.365 176.300 0.047 0.000 0.987 501 D CA 1.239 55.247 54.000 0.014 0.000 0.829 501 D CB 0.286 41.076 40.800 -0.016 0.000 0.961 501 D HN 0.287 nan 8.370 nan 0.000 0.460 502 K N 0.543 120.976 120.400 0.055 0.000 1.978 502 K HA -0.148 3.838 4.320 -0.556 0.000 0.214 502 K C 2.415 179.076 176.600 0.101 0.000 1.049 502 K CA 1.473 57.797 56.287 0.062 0.000 0.939 502 K CB -0.484 32.046 32.500 0.050 0.000 0.721 502 K HN 0.120 nan 8.250 nan 0.000 0.441 503 M N 0.184 119.870 119.600 0.143 0.000 2.108 503 M HA -0.213 3.933 4.480 -0.556 0.000 0.257 503 M C 2.013 178.502 176.300 0.314 0.000 1.071 503 M CA 1.732 57.176 55.300 0.239 0.000 1.093 503 M CB -0.468 32.319 32.600 0.313 0.000 1.345 503 M HN 0.140 nan 8.290 nan 0.000 0.403 504 L N 0.188 121.553 121.223 0.237 0.000 2.456 504 L HA -0.173 3.834 4.340 -0.556 0.000 0.224 504 L C 2.573 179.495 176.870 0.086 0.000 1.148 504 L CA 0.680 55.593 54.840 0.121 0.000 0.825 504 L CB -0.757 41.326 42.059 0.040 0.000 0.937 504 L HN 0.483 nan 8.230 nan 0.000 0.450 505 Q N -1.174 118.681 119.800 0.092 0.000 2.472 505 Q HA -0.125 3.882 4.340 -0.556 0.000 0.208 505 Q C 0.619 176.670 176.000 0.084 0.000 0.958 505 Q CA 0.918 56.762 55.803 0.068 0.000 0.932 505 Q CB 0.049 28.819 28.738 0.054 0.000 1.007 505 Q HN 0.357 nan 8.270 nan 0.000 0.508 506 D N 0.594 121.064 120.400 0.117 0.000 2.355 506 D HA 0.072 4.378 4.640 -0.556 0.000 0.206 506 D C 0.156 176.539 176.300 0.137 0.000 1.010 506 D CA 0.112 54.185 54.000 0.122 0.000 0.875 506 D CB 0.893 41.773 40.800 0.133 0.000 0.966 506 D HN 0.117 nan 8.370 nan 0.000 0.512 507 V N 1.017 121.020 119.914 0.149 0.000 2.644 507 V HA 0.208 3.995 4.120 -0.556 0.000 0.295 507 V C -0.416 175.739 176.094 0.102 0.000 1.053 507 V CA -0.494 61.889 62.300 0.139 0.000 0.987 507 V CB 1.635 33.533 31.823 0.125 0.000 1.006 507 V HN -0.064 nan 8.190 nan 0.000 0.472 508 Q N 6.136 126.007 119.800 0.118 0.000 2.534 508 Q HA 0.294 4.301 4.340 -0.556 0.000 0.223 508 Q C -0.479 175.574 176.000 0.087 0.000 1.239 508 Q CA -0.247 55.634 55.803 0.130 0.000 0.936 508 Q CB 0.590 29.426 28.738 0.163 0.000 1.457 508 Q HN 0.621 nan 8.270 nan 0.000 0.547 509 M N 3.582 123.203 119.600 0.035 0.000 2.241 509 M HA 0.328 4.475 4.480 -0.556 0.000 0.335 509 M C -1.953 174.334 176.300 -0.021 0.000 1.122 509 M CA -2.303 52.984 55.300 -0.022 0.000 1.164 509 M CB -0.086 32.482 32.600 -0.054 0.000 1.459 509 M HN 0.301 nan 8.290 nan 0.000 0.461 510 P HA 0.249 nan 4.420 nan 0.000 0.278 510 P C -0.883 176.361 177.300 -0.093 0.000 1.266 510 P CA -0.440 62.614 63.100 -0.076 0.000 0.807 510 P CB 0.865 32.505 31.700 -0.101 0.000 1.094 511 S N -0.241 115.382 115.700 -0.127 0.000 2.549 511 S HA 0.455 4.591 4.470 -0.556 0.000 0.297 511 S C -0.423 174.096 174.600 -0.136 0.000 1.115 511 S CA -0.744 57.387 58.200 -0.116 0.000 1.059 511 S CB 1.137 64.260 63.200 -0.128 0.000 1.046 511 S HN 0.475 nan 8.310 nan 0.000 0.506 512 K N 2.242 122.588 120.400 -0.090 0.000 2.307 512 K HA 0.409 4.396 4.320 -0.556 0.000 0.263 512 K C -0.908 175.653 176.600 -0.064 0.000 0.973 512 K CA -0.556 55.682 56.287 -0.081 0.000 0.846 512 K CB 0.875 33.345 32.500 -0.051 0.000 1.100 512 K HN 0.766 nan 8.250 nan 0.000 0.438 513 K N 4.813 125.165 120.400 -0.079 0.000 2.316 513 K HA 0.382 4.368 4.320 -0.556 0.000 0.251 513 K C -1.511 175.056 176.600 -0.056 0.000 0.934 513 K CA -0.808 55.442 56.287 -0.061 0.000 0.802 513 K CB 1.073 33.521 32.500 -0.087 0.000 1.171 513 K HN 0.400 nan 8.250 nan 0.000 0.426 514 L N 2.898 124.105 121.223 -0.027 0.000 2.329 514 L HA 0.509 4.516 4.340 -0.556 0.000 0.279 514 L C -0.629 176.195 176.870 -0.076 0.000 1.014 514 L CA -0.091 54.742 54.840 -0.011 0.000 0.814 514 L CB 1.756 43.907 42.059 0.154 0.000 1.257 514 L HN 0.771 nan 8.230 nan 0.000 0.424 515 D N 0.896 121.061 120.400 -0.391 0.000 2.665 515 D HA 0.565 4.872 4.640 -0.556 0.000 0.287 515 D C -1.404 174.556 176.300 -0.568 0.000 1.266 515 D CA -0.206 53.528 54.000 -0.444 0.000 0.830 515 D CB 2.448 43.046 40.800 -0.336 0.000 1.356 515 D HN 0.116 nan 8.370 nan 0.000 0.437 516 V N 0.863 120.533 119.914 -0.406 0.000 3.093 516 V HA 0.737 4.523 4.120 -0.556 0.000 0.320 516 V C 0.225 176.418 176.094 0.165 0.000 1.093 516 V CA -0.662 61.460 62.300 -0.296 0.000 1.016 516 V CB 1.674 33.127 31.823 -0.617 0.000 1.096 516 V HN 0.561 nan 8.190 nan 0.000 0.452 517 I N -0.683 120.013 120.570 0.211 0.000 2.918 517 I HA 0.577 4.414 4.170 -0.556 0.000 0.301 517 I C -1.118 175.082 176.117 0.139 0.000 1.312 517 I CA -0.808 60.600 61.300 0.181 0.000 1.007 517 I CB 2.365 40.450 38.000 0.142 0.000 1.281 517 I HN 0.550 nan 8.210 nan 0.000 0.440 518 N N 4.012 122.743 118.700 0.051 0.000 2.422 518 N HA 0.650 5.057 4.740 -0.556 0.000 0.266 518 N C -1.635 173.891 175.510 0.026 0.000 1.007 518 N CA -0.474 52.599 53.050 0.039 0.000 0.941 518 N CB 1.139 39.623 38.487 -0.005 0.000 1.115 518 N HN 0.606 nan 8.380 nan 0.000 0.492 519 L N 3.690 124.975 121.223 0.102 0.000 2.356 519 L HA 0.338 4.344 4.340 -0.556 0.000 0.277 519 L C -0.368 176.400 176.870 -0.170 0.000 0.996 519 L CA -1.121 53.634 54.840 -0.142 0.000 0.822 519 L CB 1.295 43.270 42.059 -0.141 0.000 1.256 519 L HN 0.889 nan 8.230 nan 0.000 0.413 520 H N 1.467 120.595 119.070 0.097 0.000 2.404 520 H HA -0.219 4.003 4.556 -0.557 0.000 0.323 520 H C 0.978 176.333 175.328 0.045 0.000 1.029 520 H CA 0.651 56.730 56.048 0.052 0.000 1.111 520 H CB -1.831 27.949 29.762 0.030 0.000 1.524 520 H HN 0.974 nan 8.280 nan 0.000 0.394 521 G N -2.168 106.714 108.800 0.137 0.000 2.317 521 G HA2 -0.307 3.319 3.960 -0.556 0.000 0.227 521 G HA3 -0.307 3.319 3.960 -0.556 0.000 0.227 521 G C 0.537 175.450 174.900 0.023 0.000 1.042 521 G CA 0.100 45.244 45.100 0.074 0.000 0.623 521 G HN 0.870 nan 8.290 nan 0.000 0.509 522 T N 2.459 117.030 114.554 0.028 0.000 2.889 522 T HA 0.514 4.530 4.350 -0.556 0.000 0.291 522 T C 0.366 174.830 174.700 -0.394 0.000 0.995 522 T CA 0.179 62.130 62.100 -0.248 0.000 1.092 522 T CB 1.339 69.904 68.868 -0.506 0.000 0.954 522 T HN 0.669 nan 8.240 nan 0.000 0.506 523 K N 2.753 122.921 120.400 -0.386 0.000 2.284 523 K HA 0.446 4.432 4.320 -0.556 0.000 0.287 523 K C -1.167 175.220 176.600 -0.356 0.000 1.081 523 K CA -0.316 55.809 56.287 -0.270 0.000 0.910 523 K CB 0.154 32.550 32.500 -0.173 0.000 1.088 523 K HN 0.371 nan 8.250 nan 0.000 0.478 524 F N 1.833 121.832 119.950 0.081 0.000 2.507 524 F HA 0.458 4.652 4.527 -0.555 0.000 0.327 524 F C -0.359 175.497 175.800 0.092 0.000 1.068 524 F CA -0.998 57.081 58.000 0.131 0.000 0.965 524 F CB 1.214 40.320 39.000 0.177 0.000 1.192 524 F HN 0.454 nan 8.300 nan 0.000 0.476 525 W N 1.942 123.402 121.300 0.266 0.000 2.512 525 W HA 0.531 4.857 4.660 -0.557 0.000 0.335 525 W C -0.868 175.840 176.519 0.315 0.000 1.088 525 W CA -0.683 56.801 57.345 0.232 0.000 1.236 525 W CB 0.950 30.487 29.460 0.128 0.000 1.307 525 W HN 0.386 nan 8.180 nan 0.000 0.567 526 Y N -0.122 120.516 120.300 0.563 0.000 2.644 526 Y HA 0.731 4.947 4.550 -0.557 0.000 0.338 526 Y C -1.069 175.047 175.900 0.359 0.000 1.119 526 Y CA -1.830 56.592 58.100 0.537 0.000 1.060 526 Y CB 1.306 40.270 38.460 0.840 0.000 1.294 526 Y HN 0.560 nan 8.280 nan 0.000 0.472 527 Q N 1.987 122.017 119.800 0.384 0.000 2.379 527 Q HA 0.736 4.743 4.340 -0.556 0.000 0.278 527 Q C -1.912 174.195 176.000 0.178 0.000 1.068 527 Q CA -1.142 54.756 55.803 0.158 0.000 0.816 527 Q CB 3.278 32.086 28.738 0.116 0.000 1.387 527 Q HN 0.849 nan 8.270 nan 0.000 0.413 528 M N 2.709 122.344 119.600 0.060 0.000 2.267 528 M HA 0.429 4.576 4.480 -0.556 0.000 0.289 528 M C -1.339 174.898 176.300 -0.104 0.000 1.043 528 M CA -0.929 54.354 55.300 -0.028 0.000 0.928 528 M CB 2.122 34.682 32.600 -0.066 0.000 1.613 528 M HN 0.620 nan 8.290 nan 0.000 0.450 529 I N 5.231 125.736 120.570 -0.108 0.000 2.301 529 I HA 0.389 4.225 4.170 -0.556 0.000 0.292 529 I C -0.311 175.677 176.117 -0.216 0.000 1.046 529 I CA -0.285 60.931 61.300 -0.141 0.000 1.282 529 I CB 0.132 38.068 38.000 -0.106 0.000 1.409 529 I HN 0.638 nan 8.210 nan 0.000 0.484 530 L N 7.957 128.996 121.223 -0.306 0.000 2.322 530 L HA 0.488 4.494 4.340 -0.556 0.000 0.279 530 L C -2.230 174.458 176.870 -0.302 0.000 1.036 530 L CA -1.876 52.682 54.840 -0.470 0.000 0.807 530 L CB 1.518 43.056 42.059 -0.870 0.000 1.226 530 L HN 0.222 nan 8.230 nan 0.000 0.433 531 P HA 0.081 nan 4.420 nan 0.000 0.269 531 P C -2.455 174.881 177.300 0.059 0.000 1.217 531 P CA -0.685 62.411 63.100 -0.006 0.000 0.783 531 P CB -0.033 31.751 31.700 0.140 0.000 0.898 532 P HA 0.053 nan 4.420 nan 0.000 0.270 532 P C -0.646 176.855 177.300 0.334 0.000 1.223 532 P CA 0.276 63.499 63.100 0.204 0.000 0.785 532 P CB -0.155 31.714 31.700 0.281 0.000 0.923 533 H N -1.626 117.493 119.070 0.082 0.000 2.527 533 H HA -0.220 4.002 4.556 -0.556 0.000 0.321 533 H C -0.232 175.182 175.328 0.142 0.000 1.092 533 H CA -0.040 56.063 56.048 0.092 0.000 1.118 533 H CB -2.521 27.283 29.762 0.070 0.000 1.536 533 H HN 0.268 nan 8.280 nan 0.000 0.407 534 F N 2.078 122.046 119.950 0.029 0.000 2.546 534 F HA 0.037 4.230 4.527 -0.556 0.000 0.388 534 F C 0.696 176.538 175.800 0.070 0.000 1.051 534 F CA -0.434 57.548 58.000 -0.030 0.000 1.130 534 F CB 0.219 39.080 39.000 -0.232 0.000 1.044 534 F HN 0.314 nan 8.300 nan 0.000 0.553 535 D N 5.821 126.119 120.400 -0.170 0.000 2.380 535 D HA 0.100 4.407 4.640 -0.556 0.000 0.230 535 D C 0.781 176.887 176.300 -0.324 0.000 1.154 535 D CA -0.203 53.708 54.000 -0.148 0.000 0.859 535 D CB 0.884 41.655 40.800 -0.050 0.000 1.045 535 D HN 0.580 nan 8.370 nan 0.000 0.495 536 K N 1.200 121.452 120.400 -0.247 0.000 2.360 536 K HA -0.121 3.865 4.320 -0.556 0.000 0.201 536 K C 1.857 178.456 176.600 -0.002 0.000 1.046 536 K CA 1.199 57.419 56.287 -0.112 0.000 0.945 536 K CB 0.129 32.676 32.500 0.077 0.000 0.750 536 K HN 0.440 nan 8.250 nan 0.000 0.464 537 S N 0.608 116.289 115.700 -0.033 0.000 2.436 537 S HA -0.072 4.065 4.470 -0.556 0.000 0.228 537 S C 0.927 175.500 174.600 -0.045 0.000 1.014 537 S CA 0.118 58.305 58.200 -0.022 0.000 0.950 537 S CB -0.044 63.139 63.200 -0.029 0.000 0.784 537 S HN 0.173 nan 8.310 nan 0.000 0.504 538 K N 1.739 122.084 120.400 -0.091 0.000 2.202 538 K HA 0.195 4.182 4.320 -0.556 0.000 0.264 538 K C -0.964 175.572 176.600 -0.107 0.000 1.010 538 K CA -0.323 55.853 56.287 -0.186 0.000 0.940 538 K CB 0.448 32.712 32.500 -0.393 0.000 0.983 538 K HN 0.085 nan 8.250 nan 0.000 0.475 539 K N 3.648 123.963 120.400 -0.142 0.000 2.299 539 K HA 0.162 4.148 4.320 -0.556 0.000 0.268 539 K C -1.271 175.285 176.600 -0.072 0.000 1.075 539 K CA -0.508 55.765 56.287 -0.023 0.000 0.936 539 K CB 0.589 33.060 32.500 -0.049 0.000 1.228 539 K HN 0.377 nan 8.250 nan 0.000 0.454 540 Y N 3.517 123.831 120.300 0.024 0.000 2.309 540 Y HA 0.164 4.380 4.550 -0.557 0.000 0.327 540 Y C -1.766 174.082 175.900 -0.086 0.000 1.172 540 Y CA -2.356 55.746 58.100 0.003 0.000 1.280 540 Y CB 0.185 38.728 38.460 0.138 0.000 1.234 540 Y HN 0.480 nan 8.280 nan 0.000 0.512 541 P HA 0.144 nan 4.420 nan 0.000 0.274 541 P C -0.901 176.251 177.300 -0.247 0.000 1.237 541 P CA -0.193 62.627 63.100 -0.467 0.000 0.793 541 P CB 1.383 32.376 31.700 -1.180 0.000 0.977 542 L N 2.139 123.237 121.223 -0.207 0.000 2.333 542 L HA 0.450 4.457 4.340 -0.556 0.000 0.280 542 L C -0.383 176.629 176.870 0.237 0.000 1.004 542 L CA -0.980 53.888 54.840 0.046 0.000 0.820 542 L CB 1.344 43.449 42.059 0.077 0.000 1.247 542 L HN 0.264 nan 8.230 nan 0.000 0.416 543 L N 5.700 127.072 121.223 0.247 0.000 2.298 543 L HA 0.460 4.466 4.340 -0.556 0.000 0.284 543 L C -0.724 176.338 176.870 0.319 0.000 1.013 543 L CA -0.717 54.328 54.840 0.342 0.000 0.824 543 L CB 1.554 43.770 42.059 0.260 0.000 1.221 543 L HN 0.483 nan 8.230 nan 0.000 0.418 544 I N 4.352 125.155 120.570 0.389 0.000 2.304 544 I HA 0.242 4.078 4.170 -0.556 0.000 0.291 544 I C 0.273 176.594 176.117 0.341 0.000 1.018 544 I CA -0.145 61.365 61.300 0.349 0.000 1.260 544 I CB 1.455 39.693 38.000 0.397 0.000 1.390 544 I HN 0.631 nan 8.210 nan 0.000 0.475 545 E N 5.993 126.360 120.200 0.278 0.000 2.146 545 E HA 0.482 4.499 4.350 -0.556 0.000 0.282 545 E C -1.403 175.249 176.600 0.088 0.000 0.989 545 E CA -0.378 56.093 56.400 0.118 0.000 0.799 545 E CB 1.873 31.691 29.700 0.197 0.000 1.088 545 E HN 0.434 nan 8.360 nan 0.000 0.397 546 V N 5.228 125.144 119.914 0.004 0.000 2.914 546 V HA 0.402 4.188 4.120 -0.556 0.000 0.314 546 V C -1.319 174.866 176.094 0.152 0.000 1.084 546 V CA -0.287 62.082 62.300 0.114 0.000 0.963 546 V CB 1.702 33.597 31.823 0.121 0.000 1.025 546 V HN 0.917 nan 8.190 nan 0.000 0.432 547 Y N 4.426 124.787 120.300 0.102 0.000 3.266 547 Y HA 0.584 4.799 4.550 -0.558 0.000 0.189 547 Y C 1.513 177.550 175.900 0.229 0.000 0.895 547 Y CA 1.525 59.714 58.100 0.148 0.000 1.706 547 Y CB 0.073 38.596 38.460 0.104 0.000 1.449 547 Y HN 1.286 nan 8.280 nan 0.000 0.391 548 A N 0.698 123.607 122.820 0.149 0.000 2.979 548 A HA -0.149 3.837 4.320 -0.556 0.000 0.260 548 A C 0.974 178.339 177.584 -0.365 0.000 1.282 548 A CA 0.998 53.054 52.037 0.031 0.000 0.971 548 A CB -2.493 16.605 19.000 0.163 0.000 1.124 548 A HN 1.018 nan 8.150 nan 0.000 0.826 549 G N -0.230 108.054 108.800 -0.860 0.000 2.569 549 G HA2 0.496 4.123 3.960 -0.556 0.000 0.249 549 G HA3 0.496 4.123 3.960 -0.556 0.000 0.249 549 G C -1.791 172.747 174.900 -0.604 0.000 1.216 549 G CA -0.632 43.556 45.100 -1.520 0.000 0.845 549 G HN 0.410 nan 8.290 nan 0.000 0.568 550 P HA -0.048 nan 4.420 nan 0.000 0.261 550 P C 0.767 177.907 177.300 -0.266 0.000 1.183 550 P CA 0.372 63.174 63.100 -0.497 0.000 0.761 550 P CB 0.679 31.696 31.700 -1.139 0.000 0.785 551 C N 2.302 121.549 119.300 -0.089 0.000 4.497 551 C HA -0.162 3.964 4.460 -0.556 0.000 0.268 551 C C 1.106 176.121 174.990 0.042 0.000 1.343 551 C CA 1.216 60.168 59.018 -0.109 0.000 1.742 551 C CB -2.601 24.998 27.740 -0.235 0.000 1.450 551 C HN 0.830 nan 8.230 nan 0.000 0.733 552 S N 0.155 115.944 115.700 0.148 0.000 2.603 552 S HA 0.489 4.626 4.470 -0.556 0.000 0.268 552 S C -0.527 174.223 174.600 0.251 0.000 1.317 552 S CA 0.345 58.727 58.200 0.303 0.000 1.012 552 S CB 1.501 65.005 63.200 0.508 0.000 0.926 552 S HN 0.843 nan 8.310 nan 0.000 0.539 553 Q N 0.335 120.299 119.800 0.274 0.000 2.444 553 Q HA 0.320 4.326 4.340 -0.556 0.000 0.251 553 Q C -0.337 175.764 176.000 0.168 0.000 0.939 553 Q CA -0.693 55.263 55.803 0.255 0.000 0.740 553 Q CB 0.820 29.786 28.738 0.381 0.000 1.308 553 Q HN 0.652 nan 8.270 nan 0.000 0.461 554 K N 1.344 121.840 120.400 0.160 0.000 2.323 554 K HA 0.158 4.144 4.320 -0.556 0.000 0.197 554 K C 0.137 176.808 176.600 0.118 0.000 1.043 554 K CA 0.389 56.754 56.287 0.130 0.000 0.997 554 K CB 0.771 33.373 32.500 0.171 0.000 0.807 554 K HN 0.376 nan 8.250 nan 0.000 0.497 555 V N 4.004 124.001 119.914 0.137 0.000 2.348 555 V HA 0.137 3.924 4.120 -0.556 0.000 0.270 555 V C -0.394 175.740 176.094 0.066 0.000 1.037 555 V CA -0.662 61.715 62.300 0.130 0.000 0.872 555 V CB 0.855 32.806 31.823 0.212 0.000 1.002 555 V HN 0.318 nan 8.190 nan 0.000 0.464 556 D N 2.231 122.648 120.400 0.028 0.000 2.759 556 D HA 0.330 4.636 4.640 -0.556 0.000 0.321 556 D C 0.320 176.610 176.300 -0.017 0.000 1.267 556 D CA -0.058 53.946 54.000 0.006 0.000 0.933 556 D CB 1.397 42.182 40.800 -0.025 0.000 1.431 556 D HN 0.357 nan 8.370 nan 0.000 0.504 557 T N -2.217 112.340 114.554 0.006 0.000 3.223 557 T HA 0.348 4.364 4.350 -0.556 0.000 0.259 557 T C 0.243 174.912 174.700 -0.052 0.000 1.015 557 T CA -0.436 61.675 62.100 0.018 0.000 0.908 557 T CB -0.681 68.246 68.868 0.098 0.000 1.054 557 T HN 0.288 nan 8.240 nan 0.000 0.567 558 V N 2.920 122.691 119.914 -0.238 0.000 2.521 558 V HA 0.287 4.073 4.120 -0.556 0.000 0.286 558 V C 0.233 176.293 176.094 -0.056 0.000 1.034 558 V CA -0.957 61.188 62.300 -0.259 0.000 1.045 558 V CB -0.343 31.199 31.823 -0.467 0.000 0.974 558 V HN 0.603 nan 8.190 nan 0.000 0.480 559 F N 7.041 126.951 119.950 -0.067 0.000 2.495 559 F HA 0.521 4.715 4.527 -0.555 0.000 0.365 559 F C 0.543 176.332 175.800 -0.018 0.000 1.090 559 F CA -0.034 57.945 58.000 -0.034 0.000 1.235 559 F CB 0.232 39.229 39.000 -0.005 0.000 1.119 559 F HN 0.455 nan 8.300 nan 0.000 0.562 560 R N 5.210 125.135 120.500 -0.959 0.000 2.740 560 R HA 0.554 4.560 4.340 -0.556 0.000 0.273 560 R C -1.954 173.884 176.300 -0.770 0.000 0.998 560 R CA -1.232 54.474 56.100 -0.657 0.000 0.900 560 R CB 1.781 31.908 30.300 -0.287 0.000 1.223 560 R HN 0.480 nan 8.270 nan 0.000 0.466 561 L N 2.274 123.272 121.223 -0.376 0.000 2.408 561 L HA 0.324 4.330 4.340 -0.556 0.000 0.257 561 L C -0.221 176.697 176.870 0.080 0.000 1.053 561 L CA -0.006 54.701 54.840 -0.221 0.000 0.922 561 L CB 0.755 42.811 42.059 -0.004 0.000 1.261 561 L HN 0.775 nan 8.230 nan 0.000 0.458 562 S N 0.420 116.075 115.700 -0.075 0.000 2.776 562 S HA 0.329 4.465 4.470 -0.556 0.000 0.306 562 S C 0.637 174.914 174.600 -0.538 0.000 1.114 562 S CA -0.610 57.472 58.200 -0.196 0.000 0.973 562 S CB 0.724 63.898 63.200 -0.043 0.000 1.250 562 S HN 0.495 nan 8.310 nan 0.000 0.549 563 W N 1.088 121.815 121.300 -0.956 0.000 2.388 563 W HA 0.138 4.468 4.660 -0.551 0.000 0.294 563 W C 2.302 178.789 176.519 -0.054 0.000 1.212 563 W CA 1.556 58.539 57.345 -0.604 0.000 1.271 563 W CB -1.009 28.261 29.460 -0.316 0.000 1.126 563 W HN 0.803 nan 8.180 nan 0.000 0.535 564 A N -0.040 122.732 122.820 -0.079 0.000 1.933 564 A HA -0.204 3.782 4.320 -0.556 0.000 0.218 564 A C 1.956 179.444 177.584 -0.159 0.000 1.175 564 A CA 2.571 54.501 52.037 -0.180 0.000 0.628 564 A CB -1.337 17.652 19.000 -0.019 0.000 0.814 564 A HN 0.304 nan 8.150 nan 0.000 0.444 565 T N -0.976 113.520 114.554 -0.098 0.000 2.665 565 T HA -0.259 3.757 4.350 -0.556 0.000 0.268 565 T C 1.815 176.569 174.700 0.090 0.000 1.035 565 T CA 1.864 63.911 62.100 -0.089 0.000 1.151 565 T CB -0.569 68.139 68.868 -0.267 0.000 0.862 565 T HN 0.696 nan 8.240 nan 0.000 0.438 566 Y N 2.221 122.617 120.300 0.159 0.000 2.145 566 Y HA -0.019 4.197 4.550 -0.556 0.000 0.286 566 Y C 1.957 177.853 175.900 -0.007 0.000 1.145 566 Y CA 0.905 59.104 58.100 0.166 0.000 1.148 566 Y CB -0.790 37.744 38.460 0.124 0.000 0.981 566 Y HN 0.127 nan 8.280 nan 0.000 0.507 567 L N 0.176 120.938 121.223 -0.769 0.000 2.187 567 L HA -0.191 3.816 4.340 -0.556 0.000 0.213 567 L C 2.673 179.302 176.870 -0.402 0.000 1.100 567 L CA 1.215 55.578 54.840 -0.795 0.000 0.765 567 L CB -0.808 40.848 42.059 -0.672 0.000 0.904 567 L HN 0.449 nan 8.230 nan 0.000 0.437 568 A N -1.414 121.256 122.820 -0.250 0.000 1.924 568 A HA -0.095 3.892 4.320 -0.556 0.000 0.211 568 A C 2.451 179.999 177.584 -0.060 0.000 1.198 568 A CA 1.099 53.063 52.037 -0.123 0.000 0.657 568 A CB -0.400 18.530 19.000 -0.117 0.000 0.852 568 A HN 0.261 nan 8.150 nan 0.000 0.454 569 S N -0.866 114.811 115.700 -0.038 0.000 2.368 569 S HA -0.117 4.019 4.470 -0.556 0.000 0.225 569 S C 1.870 176.496 174.600 0.042 0.000 1.030 569 S CA 2.438 60.664 58.200 0.044 0.000 0.999 569 S CB -0.267 63.018 63.200 0.142 0.000 0.844 569 S HN 0.553 nan 8.310 nan 0.000 0.459 570 T N 0.835 115.372 114.554 -0.027 0.000 3.087 570 T HA 0.204 4.220 4.350 -0.556 0.000 0.237 570 T C 1.275 175.938 174.700 -0.061 0.000 0.990 570 T CA 0.292 62.386 62.100 -0.010 0.000 1.160 570 T CB -0.098 68.819 68.868 0.082 0.000 0.923 570 T HN 0.265 nan 8.240 nan 0.000 0.442 571 E N 1.634 121.712 120.200 -0.204 0.000 2.489 571 E HA 0.141 4.157 4.350 -0.556 0.000 0.193 571 E C -0.127 176.456 176.600 -0.028 0.000 1.057 571 E CA -0.072 56.254 56.400 -0.123 0.000 0.866 571 E CB -0.557 29.012 29.700 -0.217 0.000 0.916 571 E HN 0.514 nan 8.360 nan 0.000 0.500 572 N N 0.673 119.379 118.700 0.011 0.000 2.714 572 N HA -0.199 4.208 4.740 -0.556 0.000 0.252 572 N C -0.886 174.738 175.510 0.190 0.000 1.014 572 N CA 0.303 53.446 53.050 0.154 0.000 0.735 572 N CB -1.093 37.499 38.487 0.175 0.000 0.924 572 N HN 0.238 nan 8.380 nan 0.000 0.540 573 I N 0.772 121.381 120.570 0.065 0.000 2.404 573 I HA 0.358 4.194 4.170 -0.556 0.000 0.293 573 I C 0.517 176.647 176.117 0.022 0.000 0.992 573 I CA -0.848 60.489 61.300 0.063 0.000 1.149 573 I CB 1.430 39.463 38.000 0.055 0.000 1.315 573 I HN 0.029 nan 8.210 nan 0.000 0.446 574 I N 6.426 127.021 120.570 0.042 0.000 2.371 574 I HA 0.210 4.047 4.170 -0.556 0.000 0.290 574 I C -0.414 175.702 176.117 -0.001 0.000 1.028 574 I CA -0.433 60.852 61.300 -0.025 0.000 1.345 574 I CB 1.203 39.200 38.000 -0.006 0.000 1.407 574 I HN 0.200 nan 8.210 nan 0.000 0.501 575 V N 6.391 126.287 119.914 -0.030 0.000 2.417 575 V HA 0.728 4.514 4.120 -0.556 0.000 0.291 575 V C 0.151 176.262 176.094 0.028 0.000 1.024 575 V CA -0.427 61.892 62.300 0.032 0.000 0.861 575 V CB 1.380 33.218 31.823 0.025 0.000 0.985 575 V HN 0.854 nan 8.190 nan 0.000 0.436 576 A N 3.690 126.551 122.820 0.068 0.000 2.454 576 A HA 0.946 4.933 4.320 -0.556 0.000 0.302 576 A C -0.462 177.232 177.584 0.184 0.000 1.079 576 A CA -0.538 51.533 52.037 0.056 0.000 0.731 576 A CB 2.165 21.061 19.000 -0.174 0.000 1.299 576 A HN 0.655 nan 8.150 nan 0.000 0.413 577 S N -0.363 115.492 115.700 0.258 0.000 2.570 577 S HA 0.811 4.948 4.470 -0.556 0.000 0.286 577 S C -1.643 173.269 174.600 0.519 0.000 1.099 577 S CA -0.277 58.123 58.200 0.332 0.000 0.913 577 S CB 1.329 64.676 63.200 0.246 0.000 1.085 577 S HN 0.844 nan 8.310 nan 0.000 0.480 578 F N 1.910 122.056 119.950 0.327 0.000 2.561 578 F HA 0.450 4.643 4.527 -0.557 0.000 0.313 578 F C -1.548 174.412 175.800 0.267 0.000 1.126 578 F CA -0.733 57.486 58.000 0.365 0.000 0.918 578 F CB 1.447 40.663 39.000 0.361 0.000 1.199 578 F HN 0.384 nan 8.300 nan 0.000 0.444 579 D N 4.703 124.799 120.400 -0.506 0.000 2.427 579 D HA 0.444 4.750 4.640 -0.556 0.000 0.226 579 D C 0.182 176.041 176.300 -0.735 0.000 1.076 579 D CA 0.126 53.913 54.000 -0.354 0.000 0.849 579 D CB 1.672 42.463 40.800 -0.015 0.000 1.052 579 D HN 0.782 nan 8.370 nan 0.000 0.515 580 G N 1.185 109.616 108.800 -0.615 0.000 3.119 580 G HA2 0.323 3.949 3.960 -0.556 0.000 0.206 580 G HA3 0.323 3.949 3.960 -0.556 0.000 0.206 580 G C -0.135 174.590 174.900 -0.290 0.000 1.313 580 G CA -0.835 43.770 45.100 -0.825 0.000 1.010 580 G HN 0.296 nan 8.290 nan 0.000 0.578 581 R N -0.213 120.158 120.500 -0.216 0.000 2.494 581 R HA 0.283 4.289 4.340 -0.556 0.000 0.291 581 R C 1.235 177.614 176.300 0.131 0.000 0.953 581 R CA 1.588 57.766 56.100 0.130 0.000 1.098 581 R CB 0.055 30.481 30.300 0.210 0.000 0.911 581 R HN 1.143 nan 8.270 nan 0.000 0.407 582 G N 1.423 110.306 108.800 0.140 0.000 2.376 582 G HA2 -0.318 3.309 3.960 -0.556 0.000 0.208 582 G HA3 -0.318 3.309 3.960 -0.556 0.000 0.208 582 G C 0.142 175.072 174.900 0.050 0.000 1.032 582 G CA -0.047 45.111 45.100 0.096 0.000 0.641 582 G HN 0.727 nan 8.290 nan 0.000 0.503 583 S N 0.940 116.670 115.700 0.050 0.000 2.569 583 S HA 0.559 4.695 4.470 -0.556 0.000 0.274 583 S C 1.005 175.609 174.600 0.007 0.000 1.353 583 S CA 0.729 58.957 58.200 0.046 0.000 1.023 583 S CB 1.464 64.707 63.200 0.072 0.000 0.876 583 S HN 1.734 nan 8.310 nan 0.000 0.540 584 G N -0.575 108.179 108.800 -0.075 0.000 2.583 584 G HA2 0.474 4.100 3.960 -0.556 0.000 0.280 584 G HA3 0.474 4.100 3.960 -0.556 0.000 0.280 584 G C -0.916 173.842 174.900 -0.237 0.000 1.376 584 G CA -1.040 43.877 45.100 -0.304 0.000 1.043 584 G HN 0.899 nan 8.290 nan 0.000 0.538 585 Y N -1.918 118.397 120.300 0.026 0.000 3.825 585 Y HA -0.194 4.022 4.550 -0.557 0.000 0.221 585 Y C 1.150 177.047 175.900 -0.005 0.000 1.195 585 Y CA 1.081 59.191 58.100 0.016 0.000 1.699 585 Y CB -2.215 36.278 38.460 0.056 0.000 1.531 585 Y HN 0.525 nan 8.280 nan 0.000 0.640 586 Q N -0.588 119.193 119.800 -0.031 0.000 2.013 586 Q HA 0.484 4.491 4.340 -0.556 0.000 0.233 586 Q C 0.695 176.464 176.000 -0.384 0.000 0.834 586 Q CA 0.148 55.913 55.803 -0.062 0.000 1.040 586 Q CB 1.450 30.226 28.738 0.063 0.000 1.248 586 Q HN 0.638 nan 8.270 nan 0.000 0.425 587 G N 0.673 109.093 108.800 -0.632 0.000 2.692 587 G HA2 -0.183 3.443 3.960 -0.556 0.000 0.686 587 G HA3 -0.183 3.443 3.960 -0.556 0.000 0.686 587 G C -0.306 174.249 174.900 -0.575 0.000 1.243 587 G CA -0.485 44.042 45.100 -0.956 0.000 0.782 587 G HN 0.142 nan 8.290 nan 0.000 0.625 588 D N 0.578 120.619 120.400 -0.598 0.000 2.178 588 D HA -0.063 4.243 4.640 -0.556 0.000 0.201 588 D C 2.398 178.410 176.300 -0.480 0.000 0.980 588 D CA 1.375 54.935 54.000 -0.735 0.000 0.842 588 D CB 0.026 40.267 40.800 -0.932 0.000 0.948 588 D HN 0.627 nan 8.370 nan 0.000 0.472 589 K N 0.340 120.561 120.400 -0.298 0.000 2.044 589 K HA -0.124 3.862 4.320 -0.556 0.000 0.210 589 K C 2.273 178.847 176.600 -0.043 0.000 1.049 589 K CA 0.819 57.030 56.287 -0.126 0.000 0.927 589 K CB -0.029 32.424 32.500 -0.079 0.000 0.713 589 K HN 0.194 nan 8.250 nan 0.000 0.443 590 I N 0.739 121.278 120.570 -0.052 0.000 2.141 590 I HA -0.271 3.565 4.170 -0.556 0.000 0.236 590 I C 2.694 178.853 176.117 0.070 0.000 1.071 590 I CA 0.979 62.326 61.300 0.078 0.000 1.345 590 I CB -0.190 37.881 38.000 0.117 0.000 1.066 590 I HN 0.215 nan 8.210 nan 0.000 0.406 591 M N 0.184 119.766 119.600 -0.031 0.000 2.108 591 M HA -0.311 3.835 4.480 -0.556 0.000 0.257 591 M C 2.074 178.478 176.300 0.172 0.000 1.071 591 M CA 2.090 57.401 55.300 0.017 0.000 1.093 591 M CB -0.470 32.062 32.600 -0.115 0.000 1.345 591 M HN 0.318 nan 8.290 nan 0.000 0.403 592 H N -0.923 118.078 119.070 -0.115 0.000 2.551 592 H HA 0.118 4.341 4.556 -0.556 0.000 0.266 592 H C 2.017 177.395 175.328 0.083 0.000 0.977 592 H CA 0.168 56.164 56.048 -0.087 0.000 1.163 592 H CB 0.134 29.747 29.762 -0.250 0.000 1.381 592 H HN 0.572 nan 8.280 nan 0.000 0.581 593 A N 1.914 124.874 122.820 0.235 0.000 1.940 593 A HA -0.214 3.772 4.320 -0.556 0.000 0.221 593 A C 2.131 179.887 177.584 0.286 0.000 1.190 593 A CA 1.788 54.002 52.037 0.295 0.000 0.647 593 A CB -0.869 18.332 19.000 0.336 0.000 0.821 593 A HN 0.603 nan 8.150 nan 0.000 0.457 594 I N -2.811 117.877 120.570 0.196 0.000 3.806 594 I HA 0.138 3.974 4.170 -0.556 0.000 0.321 594 I C 0.405 176.523 176.117 0.002 0.000 1.315 594 I CA -0.424 60.891 61.300 0.025 0.000 1.148 594 I CB -0.640 37.370 38.000 0.018 0.000 1.028 594 I HN 0.257 nan 8.210 nan 0.000 0.415 595 N N 2.930 121.690 118.700 0.100 0.000 2.412 595 N HA -0.074 4.332 4.740 -0.556 0.000 0.254 595 N C 0.295 175.771 175.510 -0.055 0.000 1.232 595 N CA 0.366 53.474 53.050 0.097 0.000 0.880 595 N CB 0.387 38.932 38.487 0.098 0.000 1.076 595 N HN 0.430 nan 8.380 nan 0.000 0.458 596 R N 0.185 120.624 120.500 -0.102 0.000 4.000 596 R HA -0.212 3.794 4.340 -0.556 0.000 0.348 596 R C -0.285 175.897 176.300 -0.198 0.000 1.204 596 R CA 1.613 57.604 56.100 -0.181 0.000 0.987 596 R CB -1.370 28.816 30.300 -0.191 0.000 1.446 596 R HN 0.780 nan 8.270 nan 0.000 0.555 597 R N 0.053 120.465 120.500 -0.147 0.000 2.684 597 R HA 0.287 4.293 4.340 -0.556 0.000 0.252 597 R C -0.587 175.662 176.300 -0.085 0.000 1.628 597 R CA -0.691 55.392 56.100 -0.027 0.000 1.622 597 R CB 0.356 30.632 30.300 -0.040 0.000 1.418 597 R HN -0.045 nan 8.270 nan 0.000 0.697 598 L N 1.182 122.331 121.223 -0.123 0.000 2.439 598 L HA 0.342 4.348 4.340 -0.556 0.000 0.269 598 L C 1.195 178.190 176.870 0.208 0.000 1.179 598 L CA 1.034 55.860 54.840 -0.024 0.000 0.828 598 L CB 0.860 42.727 42.059 -0.319 0.000 1.106 598 L HN 0.914 nan 8.230 nan 0.000 0.467 599 G N 0.872 109.872 108.800 0.334 0.000 2.159 599 G HA2 -0.309 3.317 3.960 -0.556 0.000 0.256 599 G HA3 -0.309 3.317 3.960 -0.556 0.000 0.256 599 G C 0.548 175.495 174.900 0.078 0.000 0.977 599 G CA 0.636 45.883 45.100 0.245 0.000 0.652 599 G HN 0.804 nan 8.290 nan 0.000 0.531 600 T N -3.192 111.392 114.554 0.051 0.000 3.556 600 T HA 0.442 4.458 4.350 -0.556 0.000 0.204 600 T C 1.773 176.586 174.700 0.188 0.000 0.896 600 T CA 1.093 63.206 62.100 0.021 0.000 1.380 600 T CB -0.147 68.611 68.868 -0.183 0.000 1.584 600 T HN 0.126 nan 8.240 nan 0.000 0.411 601 F N 3.540 123.546 119.950 0.094 0.000 2.171 601 F HA 0.093 4.287 4.527 -0.555 0.000 0.300 601 F C 2.782 178.639 175.800 0.096 0.000 1.090 601 F CA 0.983 59.038 58.000 0.092 0.000 1.293 601 F CB -0.914 38.135 39.000 0.083 0.000 1.013 601 F HN 0.510 nan 8.300 nan 0.000 0.486 602 E N 0.871 121.238 120.200 0.278 0.000 2.152 602 E HA -0.107 3.909 4.350 -0.556 0.000 0.192 602 E C 2.112 178.823 176.600 0.185 0.000 0.983 602 E CA 1.301 57.824 56.400 0.206 0.000 0.818 602 E CB -1.131 28.680 29.700 0.185 0.000 0.758 602 E HN 0.272 nan 8.360 nan 0.000 0.467 603 V N 1.722 121.730 119.914 0.157 0.000 2.270 603 V HA -0.224 3.562 4.120 -0.556 0.000 0.245 603 V C 2.371 178.523 176.094 0.096 0.000 1.043 603 V CA 2.238 64.587 62.300 0.082 0.000 1.014 603 V CB -0.650 31.175 31.823 0.005 0.000 0.645 603 V HN 0.207 nan 8.190 nan 0.000 0.447 604 E N 0.145 120.425 120.200 0.134 0.000 2.110 604 E HA -0.225 3.791 4.350 -0.556 0.000 0.193 604 E C 1.924 178.581 176.600 0.096 0.000 0.988 604 E CA 1.455 57.928 56.400 0.122 0.000 0.804 604 E CB -0.199 29.602 29.700 0.169 0.000 0.745 604 E HN 0.580 nan 8.360 nan 0.000 0.458 605 D N 0.342 120.820 120.400 0.130 0.000 2.219 605 D HA -0.133 4.173 4.640 -0.556 0.000 0.205 605 D C 1.910 178.229 176.300 0.032 0.000 0.970 605 D CA 0.714 54.765 54.000 0.085 0.000 0.851 605 D CB -0.075 40.822 40.800 0.161 0.000 0.943 605 D HN 0.124 nan 8.370 nan 0.000 0.488 606 Q N 0.165 120.045 119.800 0.133 0.000 2.079 606 Q HA -0.032 3.975 4.340 -0.556 0.000 0.200 606 Q C 2.565 178.618 176.000 0.088 0.000 0.974 606 Q CA 0.523 56.416 55.803 0.150 0.000 0.840 606 Q CB -0.073 28.772 28.738 0.178 0.000 0.898 606 Q HN 0.423 nan 8.270 nan 0.000 0.430 607 I N 0.637 121.270 120.570 0.104 0.000 2.142 607 I HA -0.255 3.581 4.170 -0.556 0.000 0.240 607 I C 2.473 178.563 176.117 -0.045 0.000 1.078 607 I CA 1.233 62.616 61.300 0.139 0.000 1.343 607 I CB -0.325 37.751 38.000 0.127 0.000 1.046 607 I HN 0.262 nan 8.210 nan 0.000 0.405 608 E N 1.123 121.247 120.200 -0.127 0.000 2.150 608 E HA -0.207 3.809 4.350 -0.556 0.000 0.193 608 E C 2.266 178.608 176.600 -0.430 0.000 0.985 608 E CA 1.109 57.370 56.400 -0.232 0.000 0.814 608 E CB 0.049 29.622 29.700 -0.213 0.000 0.752 608 E HN 0.483 nan 8.360 nan 0.000 0.466 609 A N 0.312 122.762 122.820 -0.616 0.000 1.877 609 A HA -0.162 3.825 4.320 -0.556 0.000 0.216 609 A C 2.360 179.352 177.584 -0.987 0.000 1.186 609 A CA 1.986 53.352 52.037 -1.118 0.000 0.620 609 A CB -0.886 17.095 19.000 -1.699 0.000 0.822 609 A HN 0.286 nan 8.150 nan 0.000 0.443 610 T N -0.748 113.587 114.554 -0.366 0.000 2.746 610 T HA -0.144 3.873 4.350 -0.556 0.000 0.267 610 T C 2.053 176.631 174.700 -0.203 0.000 1.039 610 T CA 1.455 63.519 62.100 -0.060 0.000 1.142 610 T CB -0.249 68.682 68.868 0.105 0.000 0.866 610 T HN 0.561 nan 8.240 nan 0.000 0.444 611 R N 0.912 121.253 120.500 -0.264 0.000 2.096 611 R HA -0.153 3.853 4.340 -0.556 0.000 0.240 611 R C 2.558 178.705 176.300 -0.255 0.000 1.139 611 R CA 1.635 57.592 56.100 -0.239 0.000 0.952 611 R CB -0.208 29.969 30.300 -0.206 0.000 0.854 611 R HN 0.479 nan 8.270 nan 0.000 0.436 612 Q N -0.587 118.986 119.800 -0.378 0.000 2.045 612 Q HA -0.209 3.798 4.340 -0.556 0.000 0.206 612 Q C 2.083 177.916 176.000 -0.278 0.000 0.991 612 Q CA 2.060 57.637 55.803 -0.377 0.000 0.851 612 Q CB -0.265 28.145 28.738 -0.546 0.000 0.911 612 Q HN 0.312 nan 8.270 nan 0.000 0.418 613 F N 1.053 120.853 119.950 -0.249 0.000 2.120 613 F HA -0.232 3.961 4.527 -0.557 0.000 0.300 613 F C 2.737 178.414 175.800 -0.205 0.000 1.095 613 F CA 1.486 59.346 58.000 -0.233 0.000 1.249 613 F CB -1.315 37.560 39.000 -0.209 0.000 0.995 613 F HN 0.107 nan 8.300 nan 0.000 0.480 614 S N -0.606 115.091 115.700 -0.005 0.000 2.528 614 S HA -0.139 3.997 4.470 -0.556 0.000 0.244 614 S C 1.791 176.323 174.600 -0.114 0.000 0.982 614 S CA 0.679 58.833 58.200 -0.076 0.000 0.953 614 S CB -0.365 62.763 63.200 -0.120 0.000 0.754 614 S HN 0.277 nan 8.310 nan 0.000 0.529 615 K N 0.863 121.189 120.400 -0.123 0.000 2.186 615 K HA 0.253 4.240 4.320 -0.556 0.000 0.202 615 K C 0.799 177.292 176.600 -0.178 0.000 1.052 615 K CA 0.242 56.449 56.287 -0.133 0.000 0.965 615 K CB -0.381 32.047 32.500 -0.120 0.000 0.746 615 K HN 0.537 nan 8.250 nan 0.000 0.457 616 M N 0.659 120.107 119.600 -0.252 0.000 2.261 616 M HA -0.036 4.110 4.480 -0.556 0.000 0.350 616 M C 1.580 177.562 176.300 -0.529 0.000 1.343 616 M CA 0.340 55.353 55.300 -0.478 0.000 1.003 616 M CB 0.297 32.401 32.600 -0.826 0.000 1.848 616 M HN 0.166 nan 8.290 nan 0.000 0.456 617 G N 3.293 111.863 108.800 -0.384 0.000 2.475 617 G HA2 -0.223 3.403 3.960 -0.556 0.000 0.220 617 G HA3 -0.223 3.403 3.960 -0.556 0.000 0.220 617 G C 0.797 175.625 174.900 -0.120 0.000 1.125 617 G CA 0.689 45.672 45.100 -0.195 0.000 0.755 617 G HN 0.845 nan 8.290 nan 0.000 0.565 618 F N 0.148 120.169 119.950 0.118 0.000 2.769 618 F HA 0.600 4.793 4.527 -0.557 0.000 0.304 618 F C -0.099 175.843 175.800 0.237 0.000 1.158 618 F CA -1.542 56.567 58.000 0.182 0.000 1.398 618 F CB -0.546 38.632 39.000 0.298 0.000 1.094 618 F HN -0.151 nan 8.300 nan 0.000 0.553 619 V N 1.040 121.011 119.914 0.095 0.000 2.604 619 V HA 0.221 4.007 4.120 -0.556 0.000 0.305 619 V C -0.744 175.356 176.094 0.010 0.000 1.043 619 V CA -0.876 61.493 62.300 0.115 0.000 0.888 619 V CB 1.843 33.672 31.823 0.010 0.000 0.995 619 V HN 0.013 nan 8.190 nan 0.000 0.429 620 D N 3.434 123.828 120.400 -0.009 0.000 2.494 620 D HA 0.073 4.379 4.640 -0.556 0.000 0.217 620 D C 1.255 177.508 176.300 -0.079 0.000 1.153 620 D CA -0.342 53.620 54.000 -0.064 0.000 0.954 620 D CB 0.596 41.334 40.800 -0.103 0.000 1.034 620 D HN 0.718 nan 8.370 nan 0.000 0.518 621 D N 1.932 122.287 120.400 -0.074 0.000 2.397 621 D HA -0.230 4.077 4.640 -0.556 0.000 0.219 621 D C 0.643 176.895 176.300 -0.079 0.000 0.975 621 D CA 0.629 54.577 54.000 -0.087 0.000 0.940 621 D CB 0.268 41.012 40.800 -0.094 0.000 0.884 621 D HN 0.191 nan 8.370 nan 0.000 0.505 622 K N -0.309 120.054 120.400 -0.061 0.000 2.387 622 K HA 0.231 4.217 4.320 -0.556 0.000 0.198 622 K C 0.438 177.035 176.600 -0.005 0.000 1.022 622 K CA -0.046 56.221 56.287 -0.034 0.000 1.128 622 K CB 0.668 33.151 32.500 -0.029 0.000 0.853 622 K HN 0.001 nan 8.250 nan 0.000 0.523 623 R N 0.737 121.214 120.500 -0.039 0.000 2.674 623 R HA 0.352 4.358 4.340 -0.556 0.000 0.270 623 R C -1.004 175.264 176.300 -0.054 0.000 1.492 623 R CA -0.125 55.953 56.100 -0.037 0.000 1.624 623 R CB 0.503 30.645 30.300 -0.264 0.000 1.307 623 R HN 0.024 nan 8.270 nan 0.000 0.683 624 I N 1.218 121.880 120.570 0.154 0.000 2.389 624 I HA 0.490 4.326 4.170 -0.556 0.000 0.288 624 I C 0.013 176.441 176.117 0.518 0.000 0.999 624 I CA -0.648 60.794 61.300 0.236 0.000 1.129 624 I CB 1.889 39.889 38.000 0.001 0.000 1.288 624 I HN 0.250 nan 8.210 nan 0.000 0.444 625 A N 7.316 130.527 122.820 0.652 0.000 2.350 625 A HA 0.898 4.885 4.320 -0.556 0.000 0.318 625 A C -0.996 176.913 177.584 0.542 0.000 1.132 625 A CA -0.650 51.737 52.037 0.584 0.000 0.811 625 A CB 1.885 21.136 19.000 0.419 0.000 1.313 625 A HN 0.739 nan 8.150 nan 0.000 0.454 626 I N 1.226 122.019 120.570 0.371 0.000 2.607 626 I HA 0.646 4.482 4.170 -0.556 0.000 0.290 626 I C -1.675 174.655 176.117 0.356 0.000 1.129 626 I CA -0.648 60.801 61.300 0.248 0.000 1.042 626 I CB 1.315 39.175 38.000 -0.232 0.000 1.242 626 I HN 0.917 nan 8.210 nan 0.000 0.421 627 W N 7.389 128.800 121.300 0.185 0.000 3.031 627 W HA 0.899 5.223 4.660 -0.561 0.000 0.337 627 W C -1.288 175.366 176.519 0.225 0.000 1.187 627 W CA -1.169 56.297 57.345 0.203 0.000 1.166 627 W CB 1.281 30.910 29.460 0.281 0.000 1.437 627 W HN 0.786 nan 8.180 nan 0.000 0.551 628 G N 0.538 109.361 108.800 0.039 0.000 2.601 628 G HA2 0.434 4.061 3.960 -0.556 0.000 0.291 628 G HA3 0.434 4.061 3.960 -0.556 0.000 0.291 628 G C -2.742 172.170 174.900 0.020 0.000 1.456 628 G CA -0.753 44.208 45.100 -0.232 0.000 0.804 628 G HN 0.606 nan 8.290 nan 0.000 0.499 629 W N 0.859 122.080 121.300 -0.131 0.000 2.689 629 W HA 0.600 4.929 4.660 -0.552 0.000 0.340 629 W C 0.998 177.573 176.519 0.093 0.000 1.060 629 W CA 0.445 57.788 57.345 -0.004 0.000 1.218 629 W CB 1.951 31.401 29.460 -0.017 0.000 1.410 629 W HN 1.071 nan 8.180 nan 0.000 0.528 630 S N 2.034 118.005 115.700 0.452 0.000 4.150 630 S HA -0.435 3.701 4.470 -0.556 0.000 0.551 630 S C 1.191 175.900 174.600 0.182 0.000 1.874 630 S CA 2.155 60.591 58.200 0.393 0.000 4.241 630 S CB -1.822 61.738 63.200 0.600 0.000 0.292 630 S HN 0.709 nan 8.310 nan 0.000 0.469 631 Y N 2.490 122.806 120.300 0.027 0.000 2.293 631 Y HA 0.111 4.328 4.550 -0.554 0.000 0.291 631 Y C 2.348 178.201 175.900 -0.079 0.000 1.137 631 Y CA 2.210 60.228 58.100 -0.136 0.000 1.202 631 Y CB -0.980 37.179 38.460 -0.502 0.000 0.990 631 Y HN 0.471 nan 8.280 nan 0.000 0.537 632 G N -1.010 107.870 108.800 0.133 0.000 2.443 632 G HA2 -0.196 3.430 3.960 -0.556 0.000 0.219 632 G HA3 -0.196 3.430 3.960 -0.556 0.000 0.219 632 G C 1.875 176.826 174.900 0.085 0.000 1.131 632 G CA 0.701 45.880 45.100 0.132 0.000 0.775 632 G HN 0.556 nan 8.290 nan 0.000 0.547 633 G N -0.350 108.508 108.800 0.097 0.000 2.421 633 G HA2 -0.149 3.477 3.960 -0.556 0.000 0.217 633 G HA3 -0.149 3.477 3.960 -0.556 0.000 0.217 633 G C 1.549 176.484 174.900 0.059 0.000 1.143 633 G CA 0.975 46.118 45.100 0.072 0.000 0.784 633 G HN 0.408 nan 8.290 nan 0.000 0.541 634 Y N 1.245 121.456 120.300 -0.149 0.000 2.133 634 Y HA -0.060 4.155 4.550 -0.558 0.000 0.287 634 Y C 2.720 178.516 175.900 -0.173 0.000 1.134 634 Y CA 1.441 59.392 58.100 -0.249 0.000 1.133 634 Y CB -0.610 37.538 38.460 -0.520 0.000 0.987 634 Y HN 0.011 nan 8.280 nan 0.000 0.502 635 V N 0.041 119.785 119.914 -0.283 0.000 2.231 635 V HA -0.385 3.401 4.120 -0.556 0.000 0.248 635 V C 2.391 178.354 176.094 -0.218 0.000 1.054 635 V CA 2.700 64.835 62.300 -0.276 0.000 1.015 635 V CB -1.196 30.638 31.823 0.017 0.000 0.638 635 V HN 0.547 nan 8.190 nan 0.000 0.444 636 T N -0.417 114.076 114.554 -0.101 0.000 2.685 636 T HA -0.239 3.778 4.350 -0.556 0.000 0.268 636 T C 2.105 176.742 174.700 -0.106 0.000 1.034 636 T CA 2.084 64.135 62.100 -0.082 0.000 1.149 636 T CB -0.268 68.630 68.868 0.050 0.000 0.860 636 T HN 0.524 nan 8.240 nan 0.000 0.449 637 S N 0.784 116.445 115.700 -0.065 0.000 2.345 637 S HA -0.036 4.100 4.470 -0.556 0.000 0.220 637 S C 2.173 176.687 174.600 -0.142 0.000 1.031 637 S CA 1.005 59.191 58.200 -0.023 0.000 0.996 637 S CB -0.304 62.917 63.200 0.034 0.000 0.882 637 S HN 0.321 nan 8.310 nan 0.000 0.445 638 M N 1.089 120.515 119.600 -0.290 0.000 2.106 638 M HA -0.093 4.053 4.480 -0.556 0.000 0.259 638 M C 2.215 178.371 176.300 -0.241 0.000 1.068 638 M CA 1.193 56.313 55.300 -0.299 0.000 1.100 638 M CB -1.626 30.689 32.600 -0.476 0.000 1.351 638 M HN 0.169 nan 8.290 nan 0.000 0.404 639 V N 0.605 120.367 119.914 -0.252 0.000 2.261 639 V HA -0.267 3.520 4.120 -0.556 0.000 0.246 639 V C 2.596 178.523 176.094 -0.278 0.000 1.047 639 V CA 1.543 63.701 62.300 -0.237 0.000 1.015 639 V CB -0.629 30.998 31.823 -0.326 0.000 0.642 639 V HN 0.408 nan 8.190 nan 0.000 0.446 640 L N 0.372 121.359 121.223 -0.393 0.000 2.043 640 L HA -0.145 3.861 4.340 -0.556 0.000 0.212 640 L C 2.266 178.714 176.870 -0.704 0.000 1.075 640 L CA 1.828 56.357 54.840 -0.517 0.000 0.752 640 L CB -0.981 40.662 42.059 -0.693 0.000 0.891 640 L HN 0.515 nan 8.230 nan 0.000 0.432 641 G N -1.353 106.964 108.800 -0.804 0.000 3.210 641 G HA2 0.200 3.826 3.960 -0.556 0.000 0.220 641 G HA3 0.200 3.826 3.960 -0.556 0.000 0.220 641 G C 1.353 176.114 174.900 -0.231 0.000 1.200 641 G CA 0.524 45.283 45.100 -0.568 0.000 0.834 641 G HN 0.424 nan 8.290 nan 0.000 0.524 642 A N -0.319 122.382 122.820 -0.197 0.000 2.081 642 A HA 0.469 4.456 4.320 -0.556 0.000 0.214 642 A C 2.088 179.634 177.584 -0.062 0.000 1.158 642 A CA 1.225 53.205 52.037 -0.094 0.000 0.724 642 A CB -0.254 18.711 19.000 -0.059 0.000 0.826 642 A HN 1.434 nan 8.150 nan 0.000 0.463 643 G N 0.054 108.807 108.800 -0.078 0.000 2.176 643 G HA2 -0.295 3.331 3.960 -0.556 0.000 0.252 643 G HA3 -0.295 3.331 3.960 -0.556 0.000 0.252 643 G C 0.983 175.873 174.900 -0.016 0.000 1.024 643 G CA 1.251 46.324 45.100 -0.045 0.000 0.755 643 G HN 1.416 nan 8.290 nan 0.000 0.507 644 S N -0.774 114.931 115.700 0.008 0.000 2.515 644 S HA 0.322 4.459 4.470 -0.556 0.000 0.231 644 S C 2.425 177.023 174.600 -0.002 0.000 0.987 644 S CA 1.328 59.537 58.200 0.016 0.000 0.936 644 S CB -0.134 63.102 63.200 0.060 0.000 0.766 644 S HN 2.333 nan 8.310 nan 0.000 0.528 645 G N 0.406 109.210 108.800 0.007 0.000 2.180 645 G HA2 -0.289 3.337 3.960 -0.556 0.000 0.263 645 G HA3 -0.289 3.337 3.960 -0.556 0.000 0.263 645 G C 0.677 175.555 174.900 -0.037 0.000 0.989 645 G CA 0.507 45.604 45.100 -0.006 0.000 0.692 645 G HN 0.659 nan 8.290 nan 0.000 0.526 646 V N -1.114 118.763 119.914 -0.061 0.000 2.788 646 V HA 0.309 4.095 4.120 -0.556 0.000 0.251 646 V C 1.033 176.866 176.094 -0.435 0.000 1.068 646 V CA 1.280 63.410 62.300 -0.282 0.000 1.090 646 V CB -0.266 31.299 31.823 -0.430 0.000 0.710 646 V HN 0.302 nan 8.190 nan 0.000 0.467 647 F N -0.347 119.614 119.950 0.019 0.000 2.469 647 F HA 0.437 4.632 4.527 -0.554 0.000 0.332 647 F C 1.013 176.851 175.800 0.064 0.000 1.103 647 F CA -0.714 57.322 58.000 0.061 0.000 0.979 647 F CB 1.675 40.715 39.000 0.068 0.000 1.137 647 F HN -0.295 nan 8.300 nan 0.000 0.463 648 K N 1.248 121.812 120.400 0.274 0.000 2.211 648 K HA 0.167 4.153 4.320 -0.556 0.000 0.201 648 K C -0.382 176.340 176.600 0.203 0.000 1.052 648 K CA 0.777 57.182 56.287 0.197 0.000 0.973 648 K CB 0.285 32.901 32.500 0.192 0.000 0.766 648 K HN 0.784 nan 8.250 nan 0.000 0.466 649 c N -2.583 116.180 118.600 0.270 0.000 3.303 649 c HA 0.839 5.076 4.570 -0.556 0.000 0.340 649 c C -0.266 174.047 174.090 0.371 0.000 1.274 649 c CA -0.804 55.703 56.329 0.296 0.000 1.234 649 c CB 1.056 43.660 42.510 0.156 0.000 1.532 649 c HN 0.306 nan 8.230 nan 0.000 0.483 650 G N 0.291 109.369 108.800 0.465 0.000 2.692 650 G HA2 0.794 4.420 3.960 -0.556 0.000 0.291 650 G HA3 0.794 4.420 3.960 -0.556 0.000 0.291 650 G C -1.886 173.233 174.900 0.365 0.000 1.423 650 G CA -0.805 44.537 45.100 0.404 0.000 0.843 650 G HN 1.015 nan 8.290 nan 0.000 0.486 651 I N 0.600 121.343 120.570 0.288 0.000 2.466 651 I HA 0.584 4.421 4.170 -0.556 0.000 0.289 651 I C 0.036 176.266 176.117 0.188 0.000 1.026 651 I CA -1.001 60.346 61.300 0.079 0.000 1.078 651 I CB 2.318 40.327 38.000 0.015 0.000 1.249 651 I HN 0.610 nan 8.210 nan 0.000 0.429 652 A N 6.637 129.476 122.820 0.032 0.000 2.267 652 A HA 0.704 4.691 4.320 -0.556 0.000 0.315 652 A C -0.637 176.877 177.584 -0.118 0.000 1.297 652 A CA -0.486 51.589 52.037 0.063 0.000 0.865 652 A CB 0.819 19.938 19.000 0.197 0.000 1.165 652 A HN 0.444 nan 8.150 nan 0.000 0.513 653 V N 2.339 122.143 119.914 -0.184 0.000 2.407 653 V HA 0.513 4.299 4.120 -0.556 0.000 0.278 653 V C 1.075 176.796 176.094 -0.623 0.000 1.037 653 V CA 0.397 62.360 62.300 -0.562 0.000 0.900 653 V CB 0.741 31.914 31.823 -1.083 0.000 0.983 653 V HN 1.947 nan 8.190 nan 0.000 0.459 654 A N 6.013 128.438 122.820 -0.659 0.000 2.261 654 A HA -0.111 3.875 4.320 -0.556 0.000 0.282 654 A C -1.816 175.597 177.584 -0.284 0.000 1.403 654 A CA 0.387 51.911 52.037 -0.854 0.000 0.753 654 A CB -1.436 17.208 19.000 -0.593 0.000 1.125 654 A HN 0.627 nan 8.150 nan 0.000 0.358 655 P HA 0.470 nan 4.420 nan 0.000 0.284 655 P C 0.070 177.344 177.300 -0.044 0.000 1.258 655 P CA -0.359 62.726 63.100 -0.024 0.000 0.824 655 P CB 1.547 33.258 31.700 0.020 0.000 1.038 656 V N 2.294 122.077 119.914 -0.219 0.000 2.686 656 V HA 0.120 3.907 4.120 -0.556 0.000 0.295 656 V C 1.686 177.563 176.094 -0.362 0.000 1.055 656 V CA 0.942 62.952 62.300 -0.484 0.000 1.050 656 V CB 0.795 31.901 31.823 -1.194 0.000 0.984 656 V HN 0.863 nan 8.190 nan 0.000 0.482 657 S N 2.292 117.816 115.700 -0.292 0.000 2.631 657 S HA 0.291 4.428 4.470 -0.556 0.000 0.246 657 S C 0.278 174.731 174.600 -0.244 0.000 1.068 657 S CA -0.254 57.860 58.200 -0.144 0.000 0.995 657 S CB 0.277 63.464 63.200 -0.021 0.000 0.944 657 S HN 0.659 nan 8.310 nan 0.000 0.529 658 K N -0.171 119.982 120.400 -0.412 0.000 2.656 658 K HA 0.292 4.278 4.320 -0.556 0.000 0.253 658 K C -0.993 175.325 176.600 -0.469 0.000 1.002 658 K CA -0.639 55.337 56.287 -0.517 0.000 0.880 658 K CB 0.561 32.513 32.500 -0.914 0.000 1.232 658 K HN 0.177 nan 8.250 nan 0.000 0.456 659 W N 2.242 123.462 121.300 -0.134 0.000 2.364 659 W HA -0.143 4.188 4.660 -0.547 0.000 0.281 659 W C 1.163 177.806 176.519 0.206 0.000 1.219 659 W CA 0.849 58.215 57.345 0.035 0.000 1.220 659 W CB 0.208 29.660 29.460 -0.013 0.000 1.127 659 W HN 0.737 nan 8.180 nan 0.000 0.556 660 E N -1.136 119.220 120.200 0.260 0.000 2.409 660 E HA -0.189 3.827 4.350 -0.556 0.000 0.198 660 E C 1.251 177.996 176.600 0.241 0.000 1.024 660 E CA 0.858 57.358 56.400 0.168 0.000 0.861 660 E CB -0.293 29.392 29.700 -0.026 0.000 0.788 660 E HN 0.379 nan 8.360 nan 0.000 0.521 661 Y N -1.438 118.963 120.300 0.168 0.000 2.523 661 Y HA 0.068 4.295 4.550 -0.538 0.000 0.279 661 Y C 0.648 176.654 175.900 0.178 0.000 1.139 661 Y CA -0.360 57.807 58.100 0.112 0.000 1.296 661 Y CB -0.442 38.028 38.460 0.016 0.000 1.045 661 Y HN 0.022 nan 8.280 nan 0.000 0.538 662 Y N 2.046 122.503 120.300 0.262 0.000 2.334 662 Y HA 0.269 4.482 4.550 -0.562 0.000 0.325 662 Y C 0.273 176.377 175.900 0.340 0.000 1.308 662 Y CA -2.170 56.089 58.100 0.265 0.000 1.389 662 Y CB 0.358 39.004 38.460 0.310 0.000 1.328 662 Y HN 0.194 nan 8.280 nan 0.000 0.532 663 D N -0.430 119.690 120.400 -0.467 0.000 2.399 663 D HA 0.078 4.384 4.640 -0.556 0.000 0.241 663 D C 0.955 177.220 176.300 -0.058 0.000 1.133 663 D CA 0.398 54.165 54.000 -0.388 0.000 0.890 663 D CB 0.883 41.202 40.800 -0.802 0.000 1.201 663 D HN 0.481 nan 8.370 nan 0.000 0.432 664 S N 1.537 117.226 115.700 -0.018 0.000 2.370 664 S HA -0.244 3.892 4.470 -0.556 0.000 0.226 664 S C 1.846 176.475 174.600 0.047 0.000 1.033 664 S CA 1.143 59.383 58.200 0.067 0.000 1.011 664 S CB -0.914 62.330 63.200 0.074 0.000 0.852 664 S HN 0.437 nan 8.310 nan 0.000 0.457 665 V N 0.826 120.706 119.914 -0.056 0.000 2.233 665 V HA -0.178 3.608 4.120 -0.556 0.000 0.247 665 V C 2.297 178.325 176.094 -0.111 0.000 1.050 665 V CA 2.269 64.459 62.300 -0.185 0.000 1.010 665 V CB -1.055 30.482 31.823 -0.477 0.000 0.637 665 V HN 0.598 nan 8.190 nan 0.000 0.444 666 Y N 1.243 121.484 120.300 -0.098 0.000 2.109 666 Y HA -0.227 3.992 4.550 -0.552 0.000 0.285 666 Y C 2.741 178.679 175.900 0.062 0.000 1.131 666 Y CA 2.316 60.440 58.100 0.040 0.000 1.121 666 Y CB -0.749 37.927 38.460 0.359 0.000 0.987 666 Y HN 0.230 nan 8.280 nan 0.000 0.495 667 T N 0.519 115.373 114.554 0.500 0.000 2.607 667 T HA -0.245 3.771 4.350 -0.556 0.000 0.267 667 T C 1.612 176.326 174.700 0.022 0.000 1.049 667 T CA 2.098 64.408 62.100 0.349 0.000 1.162 667 T CB -0.395 68.797 68.868 0.540 0.000 0.863 667 T HN 0.453 nan 8.240 nan 0.000 0.424 668 E N 0.543 120.770 120.200 0.046 0.000 2.110 668 E HA -0.149 3.867 4.350 -0.556 0.000 0.193 668 E C 2.326 178.805 176.600 -0.203 0.000 0.988 668 E CA 0.746 57.140 56.400 -0.010 0.000 0.804 668 E CB -0.192 29.538 29.700 0.049 0.000 0.745 668 E HN 0.351 nan 8.360 nan 0.000 0.458 669 R N 0.051 120.303 120.500 -0.413 0.000 2.185 669 R HA -0.218 3.788 4.340 -0.556 0.000 0.247 669 R C 1.049 176.777 176.300 -0.953 0.000 1.159 669 R CA 1.632 57.282 56.100 -0.751 0.000 0.988 669 R CB -0.023 29.554 30.300 -1.206 0.000 0.871 669 R HN 0.269 nan 8.270 nan 0.000 0.458 670 Y N -2.728 117.239 120.300 -0.554 0.000 2.483 670 Y HA 0.255 4.471 4.550 -0.557 0.000 0.258 670 Y C 1.633 177.283 175.900 -0.416 0.000 1.083 670 Y CA -0.176 57.566 58.100 -0.597 0.000 1.283 670 Y CB 0.520 38.485 38.460 -0.825 0.000 1.178 670 Y HN -0.043 nan 8.280 nan 0.000 0.515 671 M N -0.654 118.796 119.600 -0.251 0.000 2.379 671 M HA 0.390 4.536 4.480 -0.556 0.000 0.265 671 M C 1.149 177.412 176.300 -0.061 0.000 1.095 671 M CA 0.912 56.042 55.300 -0.283 0.000 1.075 671 M CB -0.132 32.082 32.600 -0.644 0.000 1.443 671 M HN 0.333 nan 8.290 nan 0.000 0.519 672 G N 1.814 110.611 108.800 -0.006 0.000 2.553 672 G HA2 -0.242 3.384 3.960 -0.556 0.000 0.242 672 G HA3 -0.242 3.384 3.960 -0.556 0.000 0.242 672 G C -0.530 174.484 174.900 0.189 0.000 1.277 672 G CA -0.704 44.434 45.100 0.062 0.000 0.910 672 G HN 0.328 nan 8.290 nan 0.000 0.576 673 L N 2.427 123.737 121.223 0.145 0.000 2.307 673 L HA 0.405 4.411 4.340 -0.556 0.000 0.282 673 L C -1.279 175.605 176.870 0.023 0.000 1.051 673 L CA -1.745 53.147 54.840 0.086 0.000 0.804 673 L CB 1.988 44.058 42.059 0.019 0.000 1.197 673 L HN 0.462 nan 8.230 nan 0.000 0.431 674 P HA 0.011 nan 4.420 nan 0.000 0.249 674 P C -0.243 176.910 177.300 -0.246 0.000 1.686 674 P CA -0.037 62.647 63.100 -0.694 0.000 0.873 674 P CB -0.650 30.358 31.700 -1.154 0.000 1.828 675 T N -3.294 111.208 114.554 -0.087 0.000 2.888 675 T HA 0.412 4.429 4.350 -0.556 0.000 0.284 675 T C -1.843 172.860 174.700 0.005 0.000 1.017 675 T CA -2.483 59.594 62.100 -0.038 0.000 1.022 675 T CB 2.056 70.909 68.868 -0.025 0.000 1.013 675 T HN -0.188 nan 8.240 nan 0.000 0.465 676 P HA -0.045 nan 4.420 nan 0.000 0.228 676 P C 0.507 177.823 177.300 0.026 0.000 1.151 676 P CA 0.910 64.026 63.100 0.027 0.000 0.770 676 P CB 0.177 31.889 31.700 0.021 0.000 0.786 677 E N -0.921 119.288 120.200 0.015 0.000 2.442 677 E HA -0.032 3.984 4.350 -0.556 0.000 0.195 677 E C 1.376 177.984 176.600 0.014 0.000 1.030 677 E CA 0.510 56.918 56.400 0.012 0.000 0.869 677 E CB -0.166 29.537 29.700 0.004 0.000 0.857 677 E HN 0.276 nan 8.360 nan 0.000 0.505 678 D N -0.314 120.100 120.400 0.023 0.000 3.066 678 D HA 0.099 4.405 4.640 -0.556 0.000 0.225 678 D C 0.183 176.513 176.300 0.049 0.000 1.397 678 D CA 0.032 54.048 54.000 0.028 0.000 1.344 678 D CB -0.095 40.725 40.800 0.033 0.000 0.934 678 D HN -0.011 nan 8.370 nan 0.000 0.202 679 N N 0.141 118.904 118.700 0.106 0.000 2.291 679 N HA 0.057 4.463 4.740 -0.556 0.000 0.244 679 N C 1.258 176.959 175.510 0.319 0.000 1.216 679 N CA -0.144 53.007 53.050 0.169 0.000 0.879 679 N CB 0.731 39.311 38.487 0.155 0.000 1.167 679 N HN -0.001 nan 8.380 nan 0.000 0.515 680 L N 1.290 122.638 121.223 0.208 0.000 2.051 680 L HA -0.219 3.787 4.340 -0.556 0.000 0.214 680 L C 1.498 178.513 176.870 0.242 0.000 1.076 680 L CA 1.970 56.918 54.840 0.181 0.000 0.758 680 L CB -0.454 41.645 42.059 0.067 0.000 0.890 680 L HN 0.232 nan 8.230 nan 0.000 0.433 681 D N -1.278 119.259 120.400 0.229 0.000 2.123 681 D HA -0.249 4.057 4.640 -0.556 0.000 0.196 681 D C 1.929 178.378 176.300 0.247 0.000 0.992 681 D CA 1.688 55.823 54.000 0.225 0.000 0.833 681 D CB -0.278 40.676 40.800 0.256 0.000 0.954 681 D HN 0.432 nan 8.370 nan 0.000 0.455 682 Y N -0.780 119.571 120.300 0.085 0.000 2.546 682 Y HA -0.019 4.197 4.550 -0.557 0.000 0.287 682 Y C 1.746 177.669 175.900 0.038 0.000 1.158 682 Y CA -0.038 58.080 58.100 0.029 0.000 1.307 682 Y CB -0.323 38.111 38.460 -0.044 0.000 1.036 682 Y HN 0.042 nan 8.280 nan 0.000 0.532 683 Y N -0.721 119.676 120.300 0.161 0.000 2.301 683 Y HA -0.046 4.170 4.550 -0.558 0.000 0.295 683 Y C 2.338 178.294 175.900 0.093 0.000 1.119 683 Y CA 1.128 59.310 58.100 0.136 0.000 1.162 683 Y CB 0.016 38.536 38.460 0.101 0.000 1.046 683 Y HN -0.141 nan 8.280 nan 0.000 0.538 684 R N 0.347 120.985 120.500 0.230 0.000 2.115 684 R HA -0.089 3.918 4.340 -0.556 0.000 0.226 684 R C 1.463 177.796 176.300 0.056 0.000 1.100 684 R CA 1.288 57.455 56.100 0.111 0.000 0.980 684 R CB -0.269 30.076 30.300 0.075 0.000 0.875 684 R HN 0.366 nan 8.270 nan 0.000 0.445 685 N N 0.139 118.849 118.700 0.018 0.000 2.314 685 N HA -0.047 4.359 4.740 -0.556 0.000 0.200 685 N C 0.298 175.799 175.510 -0.016 0.000 1.135 685 N CA 0.580 53.608 53.050 -0.038 0.000 0.835 685 N CB 0.513 38.924 38.487 -0.126 0.000 0.989 685 N HN 0.052 nan 8.380 nan 0.000 0.478 686 S N -1.415 114.324 115.700 0.064 0.000 2.559 686 S HA 0.050 4.186 4.470 -0.556 0.000 0.226 686 S C 0.769 175.490 174.600 0.202 0.000 1.000 686 S CA -0.318 57.974 58.200 0.153 0.000 0.948 686 S CB -0.547 62.804 63.200 0.251 0.000 0.870 686 S HN 0.384 nan 8.310 nan 0.000 0.497 687 T N -0.446 114.168 114.554 0.100 0.000 2.860 687 T HA 0.415 4.431 4.350 -0.556 0.000 0.299 687 T C 1.336 176.062 174.700 0.045 0.000 1.045 687 T CA -0.413 61.714 62.100 0.045 0.000 1.071 687 T CB 1.015 69.869 68.868 -0.024 0.000 0.985 687 T HN -0.049 nan 8.240 nan 0.000 0.537 688 V N 2.010 121.938 119.914 0.024 0.000 2.407 688 V HA -0.098 3.688 4.120 -0.556 0.000 0.245 688 V C 2.694 178.763 176.094 -0.043 0.000 1.041 688 V CA 1.595 63.887 62.300 -0.014 0.000 1.040 688 V CB -0.953 30.845 31.823 -0.043 0.000 0.671 688 V HN 0.839 nan 8.190 nan 0.000 0.455 689 M N 1.450 121.009 119.600 -0.069 0.000 2.116 689 M HA -0.232 3.914 4.480 -0.556 0.000 0.255 689 M C 2.351 178.625 176.300 -0.044 0.000 1.075 689 M CA 2.401 57.650 55.300 -0.084 0.000 1.087 689 M CB -1.125 31.440 32.600 -0.059 0.000 1.340 689 M HN 0.532 nan 8.290 nan 0.000 0.402 690 S N -0.240 115.448 115.700 -0.020 0.000 2.465 690 S HA -0.133 4.003 4.470 -0.556 0.000 0.241 690 S C 1.716 176.319 174.600 0.005 0.000 1.000 690 S CA 0.969 59.165 58.200 -0.007 0.000 0.964 690 S CB -0.545 62.653 63.200 -0.005 0.000 0.763 690 S HN 0.571 nan 8.310 nan 0.000 0.512 691 R N 0.205 120.719 120.500 0.024 0.000 2.468 691 R HA 0.460 4.467 4.340 -0.556 0.000 0.280 691 R C 2.128 178.517 176.300 0.149 0.000 0.963 691 R CA 0.403 56.540 56.100 0.062 0.000 1.083 691 R CB -0.137 30.196 30.300 0.056 0.000 1.200 691 R HN 0.459 nan 8.270 nan 0.000 0.541 692 A N 1.779 124.645 122.820 0.076 0.000 1.884 692 A HA -0.310 3.676 4.320 -0.556 0.000 0.219 692 A C 2.006 179.677 177.584 0.145 0.000 1.197 692 A CA 2.032 54.099 52.037 0.049 0.000 0.637 692 A CB -0.368 18.589 19.000 -0.072 0.000 0.827 692 A HN 0.268 nan 8.150 nan 0.000 0.450 693 E N 0.329 120.578 120.200 0.081 0.000 2.114 693 E HA -0.227 3.790 4.350 -0.556 0.000 0.199 693 E C 1.696 178.348 176.600 0.087 0.000 1.008 693 E CA 2.009 58.452 56.400 0.072 0.000 0.810 693 E CB -0.553 29.172 29.700 0.042 0.000 0.739 693 E HN 0.792 nan 8.360 nan 0.000 0.456 694 N N -1.338 117.407 118.700 0.076 0.000 2.453 694 N HA -0.107 4.299 4.740 -0.556 0.000 0.183 694 N C 0.822 176.308 175.510 -0.040 0.000 1.041 694 N CA 0.223 53.273 53.050 0.001 0.000 0.900 694 N CB -0.135 38.310 38.487 -0.070 0.000 0.961 694 N HN 0.153 nan 8.380 nan 0.000 0.443 695 F N 1.569 121.478 119.950 -0.067 0.000 2.546 695 F HA 0.008 4.205 4.527 -0.549 0.000 0.298 695 F C 1.875 177.685 175.800 0.017 0.000 1.120 695 F CA 0.725 58.685 58.000 -0.067 0.000 1.456 695 F CB 0.038 38.952 39.000 -0.143 0.000 1.088 695 F HN -0.080 nan 8.300 nan 0.000 0.572 696 K N -0.126 120.369 120.400 0.158 0.000 2.362 696 K HA -0.162 3.825 4.320 -0.556 0.000 0.200 696 K C 1.506 178.160 176.600 0.090 0.000 1.046 696 K CA 0.972 57.336 56.287 0.128 0.000 0.952 696 K CB -0.221 32.336 32.500 0.094 0.000 0.753 696 K HN 0.410 nan 8.250 nan 0.000 0.466 697 Q N 0.422 120.251 119.800 0.049 0.000 2.425 697 Q HA 0.019 4.026 4.340 -0.556 0.000 0.204 697 Q C 0.402 176.429 176.000 0.046 0.000 0.933 697 Q CA 0.121 55.943 55.803 0.032 0.000 0.939 697 Q CB 0.572 29.311 28.738 0.001 0.000 1.044 697 Q HN 0.147 nan 8.270 nan 0.000 0.513 698 V N -3.852 116.102 119.914 0.066 0.000 3.181 698 V HA 0.440 4.227 4.120 -0.556 0.000 0.308 698 V C -1.348 174.871 176.094 0.209 0.000 1.214 698 V CA -1.358 61.007 62.300 0.108 0.000 1.053 698 V CB 2.241 34.102 31.823 0.063 0.000 1.069 698 V HN -0.069 nan 8.190 nan 0.000 0.441 699 E N 1.252 121.601 120.200 0.248 0.000 2.167 699 E HA 0.437 4.453 4.350 -0.556 0.000 0.284 699 E C -1.878 175.092 176.600 0.616 0.000 1.016 699 E CA -0.308 56.308 56.400 0.361 0.000 0.817 699 E CB 1.595 31.403 29.700 0.179 0.000 1.080 699 E HN 0.665 nan 8.360 nan 0.000 0.397 700 Y N 3.639 124.226 120.300 0.479 0.000 2.376 700 Y HA 0.366 4.583 4.550 -0.555 0.000 0.340 700 Y C -1.464 174.557 175.900 0.201 0.000 0.965 700 Y CA -1.109 57.223 58.100 0.388 0.000 1.078 700 Y CB 0.932 39.663 38.460 0.453 0.000 1.193 700 Y HN 0.428 nan 8.280 nan 0.000 0.452 701 L N 8.244 129.156 121.223 -0.519 0.000 2.294 701 L HA 0.445 4.452 4.340 -0.556 0.000 0.283 701 L C -1.699 174.697 176.870 -0.791 0.000 1.015 701 L CA -1.100 53.276 54.840 -0.774 0.000 0.831 701 L CB 1.092 42.353 42.059 -1.330 0.000 1.217 701 L HN 0.667 nan 8.230 nan 0.000 0.420 702 L N 6.819 127.661 121.223 -0.636 0.000 2.265 702 L HA 0.566 4.572 4.340 -0.556 0.000 0.289 702 L C -0.583 176.151 176.870 -0.227 0.000 1.033 702 L CA 0.044 54.595 54.840 -0.482 0.000 0.814 702 L CB 1.115 42.968 42.059 -0.344 0.000 1.203 702 L HN 0.395 nan 8.230 nan 0.000 0.423 703 I N 4.616 125.065 120.570 -0.203 0.000 2.603 703 I HA 0.509 4.346 4.170 -0.556 0.000 0.300 703 I C -0.881 175.226 176.117 -0.017 0.000 1.017 703 I CA -0.875 60.354 61.300 -0.119 0.000 1.098 703 I CB 1.846 39.735 38.000 -0.186 0.000 1.279 703 I HN 0.543 nan 8.210 nan 0.000 0.437 704 H N 2.268 121.382 119.070 0.073 0.000 3.153 704 H HA 0.261 4.499 4.556 -0.530 0.000 0.323 704 H C -0.755 174.815 175.328 0.404 0.000 1.096 704 H CA -0.585 55.573 56.048 0.184 0.000 1.385 704 H CB 2.103 31.913 29.762 0.080 0.000 2.027 704 H HN 0.784 nan 8.280 nan 0.000 0.499 705 G N 1.417 110.585 108.800 0.613 0.000 2.406 705 G HA2 0.217 3.844 3.960 -0.556 0.000 0.251 705 G HA3 0.217 3.844 3.960 -0.556 0.000 0.251 705 G C 1.138 176.291 174.900 0.421 0.000 1.271 705 G CA 0.280 45.668 45.100 0.479 0.000 0.859 705 G HN 0.646 nan 8.290 nan 0.000 0.540 706 T N -0.772 113.851 114.554 0.115 0.000 3.035 706 T HA 0.154 4.170 4.350 -0.556 0.000 0.268 706 T C 1.399 176.026 174.700 -0.123 0.000 1.109 706 T CA 1.092 63.032 62.100 -0.267 0.000 1.119 706 T CB 0.230 68.876 68.868 -0.369 0.000 0.900 706 T HN 0.794 nan 8.240 nan 0.000 0.503 707 A N 1.282 124.111 122.820 0.014 0.000 3.154 707 A HA 0.391 4.377 4.320 -0.556 0.000 0.310 707 A C -0.051 177.459 177.584 -0.123 0.000 1.093 707 A CA -0.615 51.369 52.037 -0.089 0.000 1.006 707 A CB -0.105 19.148 19.000 0.422 0.000 1.084 707 A HN 0.309 nan 8.150 nan 0.000 0.549 708 D N 1.480 121.795 120.400 -0.142 0.000 2.441 708 D HA 0.047 4.353 4.640 -0.556 0.000 0.221 708 D C 0.437 176.704 176.300 -0.055 0.000 1.156 708 D CA -0.148 53.913 54.000 0.102 0.000 0.896 708 D CB 0.748 41.792 40.800 0.407 0.000 1.028 708 D HN 0.563 nan 8.370 nan 0.000 0.509 709 D N 2.739 123.128 120.400 -0.018 0.000 2.264 709 D HA -0.192 4.115 4.640 -0.556 0.000 0.208 709 D C 1.065 177.341 176.300 -0.041 0.000 0.966 709 D CA 0.235 54.178 54.000 -0.097 0.000 0.864 709 D CB 0.328 40.956 40.800 -0.287 0.000 0.933 709 D HN 0.241 nan 8.370 nan 0.000 0.499 710 N N 0.877 119.677 118.700 0.166 0.000 2.143 710 N HA -0.081 4.325 4.740 -0.556 0.000 0.190 710 N C 0.010 175.536 175.510 0.027 0.000 1.058 710 N CA 0.724 53.908 53.050 0.223 0.000 0.860 710 N CB 0.052 38.528 38.487 -0.018 0.000 1.044 710 N HN -0.052 nan 8.380 nan 0.000 0.445 711 V N 2.768 122.708 119.914 0.043 0.000 2.288 711 V HA 0.177 3.963 4.120 -0.556 0.000 0.266 711 V C -0.434 175.772 176.094 0.186 0.000 1.048 711 V CA -0.395 61.969 62.300 0.108 0.000 0.842 711 V CB -0.469 31.479 31.823 0.208 0.000 1.064 711 V HN 0.309 nan 8.190 nan 0.000 0.472 712 H N 3.245 122.293 119.070 -0.038 0.000 3.038 712 H HA -0.069 4.153 4.556 -0.558 0.000 0.338 712 H C 0.863 176.051 175.328 -0.234 0.000 1.041 712 H CA -0.016 55.930 56.048 -0.170 0.000 1.394 712 H CB 0.747 30.337 29.762 -0.287 0.000 1.357 712 H HN 0.630 nan 8.280 nan 0.000 0.600 713 F N 2.263 122.012 119.950 -0.334 0.000 2.184 713 F HA -0.317 4.140 4.527 -0.118 0.000 0.301 713 F C 2.602 178.123 175.800 -0.465 0.000 1.076 713 F CA 1.878 59.490 58.000 -0.647 0.000 1.295 713 F CB -0.240 38.553 39.000 -0.345 0.000 1.026 713 F HN 0.682 nan 8.300 nan 0.000 0.494 714 Q N 0.270 119.933 119.800 -0.228 0.000 2.082 714 Q HA -0.348 3.659 4.340 -0.556 0.000 0.211 714 Q C 2.109 177.872 176.000 -0.395 0.000 1.002 714 Q CA 2.512 58.134 55.803 -0.301 0.000 0.868 714 Q CB -0.546 27.998 28.738 -0.324 0.000 0.931 714 Q HN 0.565 nan 8.270 nan 0.000 0.414 715 Q N -0.076 119.529 119.800 -0.324 0.000 2.082 715 Q HA -0.203 3.803 4.340 -0.556 0.000 0.211 715 Q C 2.324 178.217 176.000 -0.178 0.000 1.002 715 Q CA 2.137 57.859 55.803 -0.134 0.000 0.868 715 Q CB -0.398 28.331 28.738 -0.014 0.000 0.931 715 Q HN 0.399 nan 8.270 nan 0.000 0.414 716 S N 0.367 115.858 115.700 -0.348 0.000 2.406 716 S HA -0.008 4.128 4.470 -0.556 0.000 0.228 716 S C 2.008 176.377 174.600 -0.385 0.000 1.020 716 S CA 0.734 58.734 58.200 -0.333 0.000 0.965 716 S CB -0.126 62.846 63.200 -0.381 0.000 0.798 716 S HN 0.498 nan 8.310 nan 0.000 0.488 717 A N 1.371 123.872 122.820 -0.532 0.000 1.933 717 A HA -0.124 3.862 4.320 -0.556 0.000 0.218 717 A C 2.132 179.616 177.584 -0.167 0.000 1.175 717 A CA 1.127 52.971 52.037 -0.321 0.000 0.628 717 A CB -0.416 18.442 19.000 -0.235 0.000 0.814 717 A HN 0.348 nan 8.150 nan 0.000 0.444 718 Q N -1.069 118.636 119.800 -0.159 0.000 2.172 718 Q HA -0.075 3.932 4.340 -0.556 0.000 0.200 718 Q C 2.062 178.024 176.000 -0.064 0.000 0.964 718 Q CA 1.090 56.855 55.803 -0.064 0.000 0.855 718 Q CB -0.443 28.312 28.738 0.029 0.000 0.918 718 Q HN 0.600 nan 8.270 nan 0.000 0.444 719 L N 1.084 122.244 121.223 -0.105 0.000 2.027 719 L HA -0.128 3.878 4.340 -0.556 0.000 0.206 719 L C 2.311 179.041 176.870 -0.234 0.000 1.074 719 L CA 2.369 57.111 54.840 -0.163 0.000 0.745 719 L CB -1.075 40.887 42.059 -0.161 0.000 0.898 719 L HN 0.198 nan 8.230 nan 0.000 0.433 720 S N -0.666 114.925 115.700 -0.180 0.000 2.368 720 S HA -0.288 3.849 4.470 -0.556 0.000 0.225 720 S C 2.140 176.725 174.600 -0.024 0.000 1.030 720 S CA 1.377 59.506 58.200 -0.119 0.000 0.999 720 S CB -0.755 62.525 63.200 0.133 0.000 0.844 720 S HN 0.568 nan 8.310 nan 0.000 0.459 721 K N 1.754 122.143 120.400 -0.019 0.000 2.103 721 K HA -0.043 3.943 4.320 -0.556 0.000 0.207 721 K C 2.218 178.807 176.600 -0.019 0.000 1.048 721 K CA 1.212 57.502 56.287 0.004 0.000 0.930 721 K CB -0.638 31.858 32.500 -0.006 0.000 0.716 721 K HN 0.469 nan 8.250 nan 0.000 0.444 722 A N 1.127 123.905 122.820 -0.069 0.000 1.873 722 A HA -0.069 3.917 4.320 -0.556 0.000 0.215 722 A C 2.074 179.596 177.584 -0.104 0.000 1.186 722 A CA 1.169 53.158 52.037 -0.080 0.000 0.616 722 A CB -0.559 18.379 19.000 -0.103 0.000 0.823 722 A HN 0.313 nan 8.150 nan 0.000 0.442 723 L N -0.398 120.701 121.223 -0.206 0.000 2.131 723 L HA -0.143 3.863 4.340 -0.556 0.000 0.210 723 L C 2.417 179.289 176.870 0.004 0.000 1.092 723 L CA 0.792 55.494 54.840 -0.229 0.000 0.759 723 L CB -0.571 41.100 42.059 -0.647 0.000 0.903 723 L HN 0.232 nan 8.230 nan 0.000 0.435 724 V N -0.292 119.670 119.914 0.080 0.000 2.358 724 V HA -0.239 3.547 4.120 -0.556 0.000 0.246 724 V C 2.055 178.193 176.094 0.073 0.000 1.047 724 V CA 1.726 64.111 62.300 0.141 0.000 1.035 724 V CB -0.440 31.466 31.823 0.139 0.000 0.658 724 V HN 0.437 nan 8.190 nan 0.000 0.452 725 D N 0.780 121.202 120.400 0.036 0.000 2.178 725 D HA -0.079 4.227 4.640 -0.556 0.000 0.202 725 D C 1.991 178.307 176.300 0.026 0.000 0.974 725 D CA 1.503 55.518 54.000 0.026 0.000 0.841 725 D CB -0.115 40.692 40.800 0.011 0.000 0.953 725 D HN 0.475 nan 8.370 nan 0.000 0.478 726 A N 0.143 122.976 122.820 0.021 0.000 2.235 726 A HA 0.352 4.338 4.320 -0.556 0.000 0.208 726 A C 1.743 179.358 177.584 0.051 0.000 1.172 726 A CA 0.924 52.978 52.037 0.027 0.000 0.786 726 A CB -0.432 18.576 19.000 0.012 0.000 0.804 726 A HN 0.228 nan 8.150 nan 0.000 0.479 727 G N -1.064 107.775 108.800 0.065 0.000 2.203 727 G HA2 -0.207 3.419 3.960 -0.556 0.000 0.263 727 G HA3 -0.207 3.419 3.960 -0.556 0.000 0.263 727 G C 0.133 175.097 174.900 0.108 0.000 1.012 727 G CA 0.376 45.523 45.100 0.079 0.000 0.749 727 G HN 0.783 nan 8.290 nan 0.000 0.512 728 V N 0.386 120.382 119.914 0.136 0.000 2.465 728 V HA 0.494 4.280 4.120 -0.556 0.000 0.279 728 V C 0.473 176.763 176.094 0.327 0.000 1.045 728 V CA -0.353 62.061 62.300 0.191 0.000 0.938 728 V CB 1.740 33.651 31.823 0.147 0.000 0.986 728 V HN 0.405 nan 8.190 nan 0.000 0.467 729 D N 3.428 124.010 120.400 0.302 0.000 2.253 729 D HA 0.718 5.024 4.640 -0.556 0.000 0.249 729 D C -0.664 175.930 176.300 0.490 0.000 1.049 729 D CA 0.063 54.241 54.000 0.296 0.000 0.929 729 D CB 1.158 42.044 40.800 0.143 0.000 1.176 729 D HN 0.379 nan 8.370 nan 0.000 0.437 730 F N -1.316 118.713 119.950 0.133 0.000 2.878 730 F HA 0.353 4.539 4.527 -0.568 0.000 0.322 730 F C -1.655 174.205 175.800 0.100 0.000 1.154 730 F CA -1.093 57.011 58.000 0.174 0.000 0.896 730 F CB 0.472 39.616 39.000 0.240 0.000 1.313 730 F HN 0.254 nan 8.300 nan 0.000 0.451 731 Q N 0.570 120.397 119.800 0.044 0.000 2.248 731 Q HA 0.750 4.756 4.340 -0.556 0.000 0.263 731 Q C -0.830 175.124 176.000 -0.077 0.000 1.007 731 Q CA -0.801 54.940 55.803 -0.103 0.000 0.877 731 Q CB 2.530 31.281 28.738 0.022 0.000 1.315 731 Q HN 0.892 nan 8.270 nan 0.000 0.454 732 T N -1.572 112.915 114.554 -0.112 0.000 2.864 732 T HA 0.746 4.762 4.350 -0.556 0.000 0.299 732 T C -1.133 173.487 174.700 -0.134 0.000 1.166 732 T CA -0.891 61.172 62.100 -0.061 0.000 1.007 732 T CB 1.653 70.551 68.868 0.050 0.000 1.219 732 T HN 0.472 nan 8.240 nan 0.000 0.506 733 M N 2.550 122.048 119.600 -0.169 0.000 2.215 733 M HA 0.535 4.682 4.480 -0.556 0.000 0.251 733 M C -2.178 173.932 176.300 -0.317 0.000 0.987 733 M CA -1.100 53.948 55.300 -0.420 0.000 1.025 733 M CB 0.965 33.238 32.600 -0.544 0.000 2.064 733 M HN 0.904 nan 8.290 nan 0.000 0.473 734 W N 4.532 125.651 121.300 -0.302 0.000 2.381 734 W HA 0.742 5.190 4.660 -0.354 0.000 0.329 734 W C -1.965 174.298 176.519 -0.427 0.000 1.157 734 W CA -0.756 56.501 57.345 -0.147 0.000 1.240 734 W CB 0.302 29.740 29.460 -0.036 0.000 1.199 734 W HN 0.605 nan 8.180 nan 0.000 0.579 735 Y N 2.741 123.190 120.300 0.249 0.000 2.447 735 Y HA 0.283 4.499 4.550 -0.556 0.000 0.325 735 Y C 0.467 176.455 175.900 0.148 0.000 0.976 735 Y CA -1.374 56.779 58.100 0.087 0.000 1.280 735 Y CB 1.079 39.557 38.460 0.029 0.000 1.104 735 Y HN 0.446 nan 8.280 nan 0.000 0.486 736 T N 4.549 119.266 114.554 0.273 0.000 2.822 736 T HA -0.035 3.981 4.350 -0.556 0.000 0.288 736 T C 0.178 174.914 174.700 0.059 0.000 0.991 736 T CA 0.734 62.889 62.100 0.091 0.000 1.176 736 T CB -0.200 68.663 68.868 -0.009 0.000 0.951 736 T HN 0.666 nan 8.240 nan 0.000 0.526 737 D N 1.112 121.524 120.400 0.020 0.000 3.059 737 D HA -0.124 4.183 4.640 -0.556 0.000 0.220 737 D C 0.200 176.630 176.300 0.216 0.000 1.169 737 D CA 1.154 55.135 54.000 -0.032 0.000 0.902 737 D CB -0.343 40.251 40.800 -0.342 0.000 1.116 737 D HN 0.538 nan 8.370 nan 0.000 0.417 738 E N 0.671 121.007 120.200 0.226 0.000 2.204 738 E HA 0.369 4.386 4.350 -0.556 0.000 0.276 738 E C 0.480 177.255 176.600 0.291 0.000 0.974 738 E CA -0.471 56.079 56.400 0.250 0.000 0.815 738 E CB 1.318 31.142 29.700 0.208 0.000 1.119 738 E HN 0.307 nan 8.360 nan 0.000 0.393 739 D N -0.595 119.990 120.400 0.308 0.000 2.539 739 D HA 0.007 4.313 4.640 -0.556 0.000 0.276 739 D C 1.074 177.604 176.300 0.383 0.000 1.206 739 D CA -0.296 53.910 54.000 0.343 0.000 1.081 739 D CB 0.075 41.099 40.800 0.373 0.000 1.142 739 D HN 0.427 nan 8.370 nan 0.000 0.595 740 H N -1.433 117.823 119.070 0.310 0.000 2.496 740 H HA -0.052 4.167 4.556 -0.562 0.000 0.296 740 H C 1.848 177.432 175.328 0.427 0.000 1.107 740 H CA 2.233 58.493 56.048 0.354 0.000 1.263 740 H CB -0.345 29.604 29.762 0.311 0.000 1.369 740 H HN 0.511 nan 8.280 nan 0.000 0.541 741 G N -0.517 108.464 108.800 0.301 0.000 2.662 741 G HA2 0.035 3.661 3.960 -0.556 0.000 0.212 741 G HA3 0.035 3.661 3.960 -0.556 0.000 0.212 741 G C 0.676 175.771 174.900 0.325 0.000 1.141 741 G CA 0.292 45.497 45.100 0.174 0.000 0.797 741 G HN 0.514 nan 8.290 nan 0.000 0.531 742 I N 0.179 120.940 120.570 0.319 0.000 6.272 742 I HA -0.316 3.520 4.170 -0.556 0.000 0.126 742 I C 1.526 177.770 176.117 0.211 0.000 1.619 742 I CA 0.136 61.570 61.300 0.225 0.000 2.452 742 I CB -1.293 36.825 38.000 0.197 0.000 3.064 742 I HN 0.264 nan 8.210 nan 0.000 0.279 743 A N 0.948 123.865 122.820 0.162 0.000 2.348 743 A HA 0.271 4.257 4.320 -0.556 0.000 0.224 743 A C 1.218 178.841 177.584 0.064 0.000 1.227 743 A CA 0.599 52.695 52.037 0.098 0.000 0.885 743 A CB 0.100 19.122 19.000 0.036 0.000 0.933 743 A HN 0.663 nan 8.150 nan 0.000 0.506 744 S N -0.383 115.367 115.700 0.084 0.000 2.573 744 S HA 0.065 4.202 4.470 -0.556 0.000 0.277 744 S C 0.792 175.436 174.600 0.074 0.000 1.346 744 S CA 0.298 58.539 58.200 0.069 0.000 1.034 744 S CB 0.175 63.421 63.200 0.076 0.000 0.879 744 S HN 0.518 nan 8.310 nan 0.000 0.528 745 N N 0.999 119.731 118.700 0.054 0.000 2.011 745 N HA -0.170 4.236 4.740 -0.556 0.000 0.199 745 N C 1.726 177.287 175.510 0.085 0.000 1.047 745 N CA 1.857 54.946 53.050 0.064 0.000 0.863 745 N CB -0.279 38.228 38.487 0.033 0.000 1.056 745 N HN 0.524 nan 8.380 nan 0.000 0.427 746 M N 0.708 120.343 119.600 0.058 0.000 2.108 746 M HA -0.068 4.078 4.480 -0.556 0.000 0.261 746 M C 2.246 178.577 176.300 0.052 0.000 1.066 746 M CA 1.034 56.367 55.300 0.055 0.000 1.107 746 M CB -1.465 31.159 32.600 0.040 0.000 1.356 746 M HN 0.209 nan 8.290 nan 0.000 0.406 747 A N -1.383 121.443 122.820 0.011 0.000 1.930 747 A HA -0.196 3.790 4.320 -0.556 0.000 0.217 747 A C 2.080 179.602 177.584 -0.103 0.000 1.175 747 A CA 1.999 53.960 52.037 -0.127 0.000 0.627 747 A CB -0.977 17.927 19.000 -0.161 0.000 0.815 747 A HN 0.574 nan 8.150 nan 0.000 0.443 748 H N -0.093 118.957 119.070 -0.034 0.000 2.293 748 H HA -0.120 4.101 4.556 -0.558 0.000 0.300 748 H C 2.119 177.522 175.328 0.125 0.000 1.082 748 H CA 2.323 58.416 56.048 0.075 0.000 1.308 748 H CB -0.293 29.509 29.762 0.066 0.000 1.375 748 H HN 0.551 nan 8.280 nan 0.000 0.495 749 Q N -0.867 118.931 119.800 -0.003 0.000 2.096 749 Q HA -0.222 3.785 4.340 -0.556 0.000 0.204 749 Q C 2.262 178.247 176.000 -0.025 0.000 0.982 749 Q CA 1.528 57.296 55.803 -0.058 0.000 0.850 749 Q CB -0.263 28.479 28.738 0.006 0.000 0.901 749 Q HN 0.646 nan 8.270 nan 0.000 0.422 750 H N 0.730 119.759 119.070 -0.068 0.000 2.270 750 H HA -0.117 4.108 4.556 -0.552 0.000 0.299 750 H C 2.148 177.460 175.328 -0.027 0.000 1.077 750 H CA 1.645 57.681 56.048 -0.020 0.000 1.294 750 H CB -0.231 29.555 29.762 0.039 0.000 1.371 750 H HN 0.260 nan 8.280 nan 0.000 0.491 751 I N 0.316 120.888 120.570 0.004 0.000 2.194 751 I HA -0.358 3.478 4.170 -0.556 0.000 0.246 751 I C 1.921 177.799 176.117 -0.398 0.000 1.093 751 I CA 1.455 62.676 61.300 -0.132 0.000 1.355 751 I CB -0.253 37.519 38.000 -0.381 0.000 1.046 751 I HN 0.213 nan 8.210 nan 0.000 0.413 752 Y N 0.632 120.697 120.300 -0.392 0.000 2.314 752 Y HA -0.192 4.027 4.550 -0.552 0.000 0.293 752 Y C 2.693 178.327 175.900 -0.444 0.000 1.129 752 Y CA 1.788 59.501 58.100 -0.645 0.000 1.201 752 Y CB -0.733 37.349 38.460 -0.630 0.000 0.999 752 Y HN 0.153 nan 8.280 nan 0.000 0.541 753 T N -1.734 112.713 114.554 -0.178 0.000 2.812 753 T HA -0.197 3.819 4.350 -0.556 0.000 0.264 753 T C 1.523 176.081 174.700 -0.237 0.000 1.042 753 T CA 1.742 63.712 62.100 -0.217 0.000 1.140 753 T CB -0.406 68.353 68.868 -0.182 0.000 0.870 753 T HN 0.396 nan 8.240 nan 0.000 0.445 754 H N 1.180 120.097 119.070 -0.255 0.000 2.270 754 H HA 0.086 4.312 4.556 -0.550 0.000 0.299 754 H C 2.254 177.529 175.328 -0.088 0.000 1.077 754 H CA 1.685 57.653 56.048 -0.134 0.000 1.294 754 H CB -0.324 29.351 29.762 -0.146 0.000 1.371 754 H HN 0.193 nan 8.280 nan 0.000 0.491 755 M N -0.479 119.052 119.600 -0.114 0.000 2.106 755 M HA -0.229 3.917 4.480 -0.556 0.000 0.259 755 M C 2.417 178.786 176.300 0.116 0.000 1.068 755 M CA 1.829 57.045 55.300 -0.140 0.000 1.100 755 M CB -0.197 32.075 32.600 -0.548 0.000 1.351 755 M HN 0.246 nan 8.290 nan 0.000 0.404 756 S N -0.768 115.011 115.700 0.130 0.000 2.382 756 S HA -0.177 3.959 4.470 -0.556 0.000 0.228 756 S C 1.521 176.169 174.600 0.080 0.000 1.027 756 S CA 1.350 59.716 58.200 0.276 0.000 0.991 756 S CB -0.598 62.761 63.200 0.266 0.000 0.823 756 S HN 0.585 nan 8.310 nan 0.000 0.469 757 H N -0.633 118.481 119.070 0.073 0.000 2.363 757 H HA 0.033 4.254 4.556 -0.558 0.000 0.301 757 H C 1.904 177.215 175.328 -0.028 0.000 1.074 757 H CA 1.344 57.392 56.048 -0.001 0.000 1.354 757 H CB -0.203 29.515 29.762 -0.072 0.000 1.397 757 H HN 0.369 nan 8.280 nan 0.000 0.516 758 F N 1.270 121.175 119.950 -0.075 0.000 2.091 758 F HA -0.244 3.953 4.527 -0.550 0.000 0.299 758 F C 1.967 177.690 175.800 -0.129 0.000 1.103 758 F CA 1.294 59.222 58.000 -0.121 0.000 1.228 758 F CB -0.371 38.538 39.000 -0.151 0.000 0.984 758 F HN 0.041 nan 8.300 nan 0.000 0.477 759 L N 0.132 121.344 121.223 -0.019 0.000 1.976 759 L HA -0.246 3.761 4.340 -0.556 0.000 0.209 759 L C 2.611 179.242 176.870 -0.398 0.000 1.071 759 L CA 1.689 56.328 54.840 -0.334 0.000 0.746 759 L CB -0.766 41.175 42.059 -0.196 0.000 0.890 759 L HN 0.066 nan 8.230 nan 0.000 0.432 760 K N -0.306 120.026 120.400 -0.114 0.000 2.089 760 K HA -0.283 3.703 4.320 -0.556 0.000 0.210 760 K C 2.070 178.637 176.600 -0.055 0.000 1.048 760 K CA 1.643 57.925 56.287 -0.008 0.000 0.926 760 K CB -0.297 32.256 32.500 0.089 0.000 0.714 760 K HN 0.368 nan 8.250 nan 0.000 0.448 761 Q N 1.174 120.901 119.800 -0.122 0.000 2.084 761 Q HA -0.195 3.811 4.340 -0.556 0.000 0.202 761 Q C 2.188 178.059 176.000 -0.215 0.000 0.978 761 Q CA 1.756 57.465 55.803 -0.156 0.000 0.844 761 Q CB -0.603 28.014 28.738 -0.201 0.000 0.898 761 Q HN 0.404 nan 8.270 nan 0.000 0.426 762 c N 0.087 118.455 118.600 -0.386 0.000 2.446 762 c HA 0.014 4.250 4.570 -0.556 0.000 0.279 762 c C 1.732 175.799 174.090 -0.038 0.000 1.366 762 c CA 0.093 56.211 56.329 -0.352 0.000 1.763 762 c CB -1.155 40.998 42.510 -0.594 0.000 1.929 762 c HN 0.496 nan 8.230 nan 0.000 0.509 763 F N 1.725 121.641 119.950 -0.056 0.000 2.641 763 F HA 0.279 4.474 4.527 -0.554 0.000 0.302 763 F C 1.475 177.258 175.800 -0.029 0.000 1.098 763 F CA -0.125 57.859 58.000 -0.026 0.000 1.318 763 F CB -1.218 37.778 39.000 -0.008 0.000 1.035 763 F HN 0.132 nan 8.300 nan 0.000 0.551 764 S N 1.022 116.794 115.700 0.120 0.000 3.559 764 S HA -0.214 3.922 4.470 -0.556 0.000 0.369 764 S C 0.098 174.738 174.600 0.067 0.000 0.987 764 S CA 0.159 58.395 58.200 0.059 0.000 1.187 764 S CB -2.073 61.153 63.200 0.044 0.000 0.914 764 S HN 0.265 nan 8.310 nan 0.000 0.480 765 L N 1.681 122.956 121.223 0.087 0.000 2.343 765 L HA 0.485 4.491 4.340 -0.556 0.000 0.275 765 L C -0.778 176.127 176.870 0.058 0.000 1.056 765 L CA -2.143 52.745 54.840 0.080 0.000 0.804 765 L CB 0.296 42.426 42.059 0.120 0.000 1.203 765 L HN 0.131 nan 8.230 nan 0.000 0.440 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.125 63.100 0.042 0.000 0.800 766 P CB 0.000 31.720 31.700 0.032 0.000 0.726