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 2buc_1_C 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 0.000 174.646 174.600 0.077 0.000 1.055 39 S CA 0.000 58.236 58.200 0.061 0.000 1.107 39 S CB 0.000 63.231 63.200 0.052 0.000 0.593 40 R N 1.451 121.995 120.500 0.073 0.000 1.050 40 R HA -0.067 4.273 4.340 0.001 0.000 0.427 40 R C -0.756 175.592 176.300 0.080 0.000 1.355 40 R CA 0.369 56.518 56.100 0.080 0.000 1.110 40 R CB -0.208 30.146 30.300 0.090 0.000 3.300 40 R HN 0.462 nan 8.270 nan 0.000 0.509 41 R N 0.816 121.370 120.500 0.091 0.000 2.738 41 R HA 0.181 4.521 4.340 0.001 0.000 0.268 41 R C 0.353 176.710 176.300 0.095 0.000 1.062 41 R CA 0.846 57.007 56.100 0.102 0.000 1.158 41 R CB 0.565 30.948 30.300 0.137 0.000 1.046 41 R HN 0.630 nan 8.270 nan 0.000 0.493 42 T N -1.024 113.589 114.554 0.098 0.000 2.888 42 T HA 0.171 4.521 4.350 0.001 0.000 0.284 42 T C -0.678 174.107 174.700 0.142 0.000 1.017 42 T CA -0.692 61.466 62.100 0.097 0.000 1.022 42 T CB 0.920 69.834 68.868 0.076 0.000 1.013 42 T HN 0.486 nan 8.240 nan 0.000 0.465 43 Y N 3.611 123.911 120.300 -0.001 0.000 2.697 43 Y HA 0.285 4.835 4.550 0.001 0.000 0.349 43 Y C 1.178 177.169 175.900 0.152 0.000 1.120 43 Y CA 0.039 58.139 58.100 0.001 0.000 1.468 43 Y CB -0.405 37.983 38.460 -0.119 0.000 1.182 43 Y HN 0.989 nan 8.280 nan 0.000 0.525 44 T N 2.159 116.670 114.554 -0.072 0.000 2.810 44 T HA 0.123 4.473 4.350 0.001 0.000 0.277 44 T C 0.984 175.590 174.700 -0.156 0.000 0.973 44 T CA -0.716 61.417 62.100 0.056 0.000 0.949 44 T CB 0.999 69.876 68.868 0.015 0.000 1.075 44 T HN 0.607 nan 8.240 nan 0.000 0.537 45 L N 0.770 121.747 121.223 -0.411 0.000 2.056 45 L HA 0.039 4.379 4.340 0.001 0.000 0.207 45 L C 2.709 179.431 176.870 -0.246 0.000 1.078 45 L CA 2.130 56.585 54.840 -0.642 0.000 0.749 45 L CB -1.597 39.990 42.059 -0.786 0.000 0.901 45 L HN 0.964 nan 8.230 nan 0.000 0.433 46 T N -0.660 113.790 114.554 -0.174 0.000 2.759 46 T HA -0.177 4.174 4.350 0.001 0.000 0.269 46 T C 1.502 176.145 174.700 -0.095 0.000 1.042 46 T CA 1.452 63.489 62.100 -0.105 0.000 1.140 46 T CB -0.419 68.411 68.868 -0.062 0.000 0.864 46 T HN 0.388 nan 8.240 nan 0.000 0.455 47 D N 0.149 120.461 120.400 -0.148 0.000 2.123 47 D HA -0.096 4.544 4.640 0.001 0.000 0.196 47 D C 1.772 178.020 176.300 -0.088 0.000 0.992 47 D CA 1.139 55.049 54.000 -0.150 0.000 0.833 47 D CB -0.313 40.222 40.800 -0.440 0.000 0.954 47 D HN 0.458 nan 8.370 nan 0.000 0.455 48 Y N 1.365 121.505 120.300 -0.266 0.000 2.184 48 Y HA -0.030 4.521 4.550 0.001 0.000 0.290 48 Y C 2.205 178.125 175.900 0.033 0.000 1.129 48 Y CA 1.010 59.118 58.100 0.014 0.000 1.144 48 Y CB -0.498 38.016 38.460 0.090 0.000 0.995 48 Y HN -0.131 nan 8.280 nan 0.000 0.513 49 L N 0.174 121.246 121.223 -0.252 0.000 2.093 49 L HA -0.163 4.177 4.340 0.001 0.000 0.208 49 L C 1.988 178.774 176.870 -0.140 0.000 1.085 49 L CA 1.524 56.177 54.840 -0.311 0.000 0.755 49 L CB -0.402 41.540 42.059 -0.195 0.000 0.904 49 L HN 0.125 nan 8.230 nan 0.000 0.435 50 K N -0.672 119.682 120.400 -0.076 0.000 2.374 50 K HA 0.150 4.471 4.320 0.001 0.000 0.196 50 K C 0.523 177.123 176.600 0.000 0.000 1.023 50 K CA 0.051 56.321 56.287 -0.028 0.000 1.103 50 K CB 0.702 33.187 32.500 -0.024 0.000 0.848 50 K HN 0.022 nan 8.250 nan 0.000 0.528 51 S N 1.453 117.166 115.700 0.022 0.000 3.631 51 S HA -0.128 4.342 4.470 0.001 0.000 0.366 51 S C 1.196 175.858 174.600 0.103 0.000 0.993 51 S CA 0.925 59.186 58.200 0.102 0.000 1.167 51 S CB -1.457 61.793 63.200 0.083 0.000 0.909 51 S HN 0.657 nan 8.310 nan 0.000 0.478 52 T N -2.384 112.221 114.554 0.085 0.000 2.915 52 T HA 0.036 4.387 4.350 0.001 0.000 0.269 52 T C 0.491 175.117 174.700 -0.123 0.000 1.071 52 T CA 0.762 62.836 62.100 -0.045 0.000 1.132 52 T CB -0.309 68.483 68.868 -0.126 0.000 0.878 52 T HN 0.446 nan 8.240 nan 0.000 0.479 53 F N 2.328 122.360 119.950 0.137 0.000 2.351 53 F HA 0.545 5.073 4.527 0.001 0.000 0.362 53 F C 0.649 176.558 175.800 0.182 0.000 1.131 53 F CA -1.316 56.797 58.000 0.188 0.000 1.187 53 F CB 0.450 39.641 39.000 0.318 0.000 1.434 53 F HN -0.199 nan 8.300 nan 0.000 0.553 54 R N 2.192 122.821 120.500 0.214 0.000 2.234 54 R HA 0.397 4.737 4.340 0.001 0.000 0.324 54 R C -1.034 175.374 176.300 0.179 0.000 1.054 54 R CA -0.371 55.828 56.100 0.167 0.000 0.912 54 R CB 0.575 30.913 30.300 0.064 0.000 1.030 54 R HN 0.361 nan 8.270 nan 0.000 0.455 55 V N 6.027 126.080 119.914 0.231 0.000 2.455 55 V HA 0.215 4.336 4.120 0.001 0.000 0.273 55 V C 0.587 176.776 176.094 0.158 0.000 1.045 55 V CA -0.212 62.232 62.300 0.239 0.000 0.976 55 V CB 0.961 32.997 31.823 0.356 0.000 0.993 55 V HN 0.639 nan 8.190 nan 0.000 0.475 56 K N 4.384 124.814 120.400 0.050 0.000 2.090 56 K HA 0.725 5.046 4.320 0.001 0.000 0.249 56 K C -0.759 175.791 176.600 -0.084 0.000 0.995 56 K CA -0.264 55.911 56.287 -0.185 0.000 0.914 56 K CB 1.539 33.937 32.500 -0.169 0.000 1.057 56 K HN 0.587 nan 8.250 nan 0.000 0.462 57 F N -1.467 118.404 119.950 -0.131 0.000 2.726 57 F HA 0.455 4.983 4.527 0.001 0.000 0.324 57 F C -1.252 174.213 175.800 -0.558 0.000 1.140 57 F CA -1.324 56.360 58.000 -0.527 0.000 0.964 57 F CB 0.763 39.620 39.000 -0.237 0.000 1.399 57 F HN 0.329 nan 8.300 nan 0.000 0.491 58 Y N 0.722 120.539 120.300 -0.806 0.000 2.488 58 Y HA 0.493 5.043 4.550 0.001 0.000 0.330 58 Y C -0.860 175.004 175.900 -0.060 0.000 1.013 58 Y CA -0.617 57.275 58.100 -0.348 0.000 1.304 58 Y CB 1.340 39.508 38.460 -0.488 0.000 1.098 58 Y HN 0.722 nan 8.280 nan 0.000 0.498 59 T N 7.022 121.627 114.554 0.086 0.000 2.743 59 T HA 0.536 4.887 4.350 0.001 0.000 0.293 59 T C -0.651 174.105 174.700 0.095 0.000 0.945 59 T CA -0.355 61.818 62.100 0.122 0.000 1.030 59 T CB 0.108 69.065 68.868 0.149 0.000 0.912 59 T HN 0.527 nan 8.240 nan 0.000 0.483 60 L N 1.705 122.959 121.223 0.052 0.000 2.309 60 L HA 0.765 5.106 4.340 0.001 0.000 0.261 60 L C -0.628 176.230 176.870 -0.019 0.000 1.021 60 L CA -1.049 53.796 54.840 0.008 0.000 0.823 60 L CB 1.663 43.527 42.059 -0.324 0.000 1.366 60 L HN 0.370 nan 8.230 nan 0.000 0.423 61 Q N 0.960 120.781 119.800 0.035 0.000 2.347 61 Q HA 0.350 4.690 4.340 0.001 0.000 0.265 61 Q C -1.871 174.190 176.000 0.101 0.000 1.024 61 Q CA -0.235 55.615 55.803 0.078 0.000 0.731 61 Q CB 1.444 30.248 28.738 0.109 0.000 1.245 61 Q HN 0.656 nan 8.270 nan 0.000 0.472 62 W N 4.629 126.050 121.300 0.202 0.000 2.469 62 W HA 0.116 4.776 4.660 0.001 0.000 0.321 62 W C 1.143 177.747 176.519 0.141 0.000 1.415 62 W CA -0.222 57.243 57.345 0.200 0.000 1.308 62 W CB 0.343 29.913 29.460 0.184 0.000 1.368 62 W HN 0.666 nan 8.180 nan 0.000 0.546 63 I N 0.728 121.504 120.570 0.344 0.000 4.154 63 I HA 0.325 4.496 4.170 0.001 0.000 0.334 63 I C 0.701 176.898 176.117 0.134 0.000 1.371 63 I CA -0.137 61.268 61.300 0.175 0.000 1.110 63 I CB -0.035 37.995 38.000 0.050 0.000 1.085 63 I HN 0.212 nan 8.210 nan 0.000 0.398 64 S N 0.534 116.347 115.700 0.187 0.000 2.843 64 S HA 0.245 4.716 4.470 0.001 0.000 0.301 64 S C -0.030 174.639 174.600 0.113 0.000 1.206 64 S CA 0.083 58.324 58.200 0.069 0.000 0.875 64 S CB 0.921 64.049 63.200 -0.121 0.000 1.248 64 S HN 0.291 nan 8.310 nan 0.000 0.555 65 D N -0.064 120.356 120.400 0.033 0.000 2.355 65 D HA -0.007 4.633 4.640 0.001 0.000 0.218 65 D C 1.041 177.510 176.300 0.280 0.000 1.004 65 D CA 1.137 55.201 54.000 0.107 0.000 0.880 65 D CB -0.593 40.284 40.800 0.129 0.000 0.911 65 D HN 0.865 nan 8.370 nan 0.000 0.528 66 H N -2.153 117.117 119.070 0.332 0.000 3.726 66 H HA 0.407 4.964 4.556 0.001 0.000 0.262 66 H C -0.646 174.871 175.328 0.314 0.000 1.181 66 H CA -0.464 55.799 56.048 0.358 0.000 1.143 66 H CB 0.194 30.125 29.762 0.282 0.000 1.627 66 H HN -0.019 nan 8.280 nan 0.000 0.750 67 E N 1.341 121.691 120.200 0.251 0.000 2.238 67 E HA 0.428 4.778 4.350 0.001 0.000 0.267 67 E C -1.566 175.233 176.600 0.333 0.000 0.887 67 E CA -1.161 55.360 56.400 0.202 0.000 0.769 67 E CB 2.665 32.377 29.700 0.020 0.000 1.187 67 E HN 0.352 nan 8.360 nan 0.000 0.416 68 Y N -0.059 120.259 120.300 0.029 0.000 2.588 68 Y HA 0.642 5.192 4.550 0.001 0.000 0.343 68 Y C -1.727 174.162 175.900 -0.018 0.000 1.065 68 Y CA -1.353 56.655 58.100 -0.153 0.000 1.038 68 Y CB 0.861 38.842 38.460 -0.798 0.000 1.297 68 Y HN 0.332 nan 8.280 nan 0.000 0.467 69 L N 3.196 124.538 121.223 0.198 0.000 2.334 69 L HA 0.514 4.854 4.340 0.001 0.000 0.275 69 L C -1.320 175.809 176.870 0.431 0.000 1.036 69 L CA -1.059 53.902 54.840 0.202 0.000 0.807 69 L CB 1.638 43.776 42.059 0.131 0.000 1.231 69 L HN 0.786 nan 8.230 nan 0.000 0.438 70 Y N 2.261 122.701 120.300 0.234 0.000 2.433 70 Y HA 0.341 4.892 4.550 0.001 0.000 0.337 70 Y C -0.778 175.168 175.900 0.076 0.000 1.026 70 Y CA -1.271 56.927 58.100 0.164 0.000 1.037 70 Y CB 1.606 40.188 38.460 0.203 0.000 1.245 70 Y HN 0.445 nan 8.280 nan 0.000 0.443 71 K N 5.345 125.403 120.400 -0.569 0.000 2.264 71 K HA 0.334 4.655 4.320 0.001 0.000 0.277 71 K C -1.089 174.952 176.600 -0.932 0.000 1.067 71 K CA -0.375 55.572 56.287 -0.566 0.000 0.900 71 K CB 0.673 33.033 32.500 -0.233 0.000 1.124 71 K HN 0.825 nan 8.250 nan 0.000 0.469 72 Q N 3.731 123.155 119.800 -0.627 0.000 2.309 72 Q HA 0.101 4.442 4.340 0.001 0.000 0.270 72 Q C -1.177 174.668 176.000 -0.259 0.000 1.023 72 Q CA -0.277 55.278 55.803 -0.414 0.000 0.758 72 Q CB 1.290 29.955 28.738 -0.122 0.000 1.247 72 Q HN 0.751 nan 8.270 nan 0.000 0.455 73 E N 3.225 123.281 120.200 -0.240 0.000 2.228 73 E HA -0.371 3.979 4.350 0.001 0.000 0.213 73 E C -0.416 176.008 176.600 -0.293 0.000 1.282 73 E CA 0.780 57.051 56.400 -0.215 0.000 0.707 73 E CB -1.047 28.567 29.700 -0.144 0.000 1.150 73 E HN 0.899 nan 8.360 nan 0.000 0.362 74 N N -1.432 117.016 118.700 -0.420 0.000 2.863 74 N HA -0.232 4.508 4.740 0.001 0.000 0.245 74 N C -0.630 174.489 175.510 -0.653 0.000 1.001 74 N CA 1.140 53.750 53.050 -0.733 0.000 0.901 74 N CB -0.803 37.207 38.487 -0.796 0.000 1.124 74 N HN 0.353 nan 8.380 nan 0.000 0.582 75 N N 0.651 119.134 118.700 -0.361 0.000 2.422 75 N HA 0.435 5.176 4.740 0.001 0.000 0.266 75 N C -0.397 175.002 175.510 -0.185 0.000 1.007 75 N CA -0.218 52.711 53.050 -0.202 0.000 0.941 75 N CB 0.922 39.334 38.487 -0.124 0.000 1.115 75 N HN 0.133 nan 8.380 nan 0.000 0.492 76 I N 3.557 124.070 120.570 -0.094 0.000 2.301 76 I HA 0.189 4.359 4.170 0.001 0.000 0.292 76 I C -0.614 175.520 176.117 0.028 0.000 1.046 76 I CA -0.281 60.967 61.300 -0.087 0.000 1.282 76 I CB 0.356 38.307 38.000 -0.081 0.000 1.409 76 I HN 0.260 nan 8.210 nan 0.000 0.484 77 L N 7.087 128.329 121.223 0.032 0.000 2.334 77 L HA 0.458 4.799 4.340 0.001 0.000 0.276 77 L C -0.561 176.290 176.870 -0.031 0.000 1.014 77 L CA -0.631 54.206 54.840 -0.006 0.000 0.815 77 L CB 1.708 43.749 42.059 -0.031 0.000 1.268 77 L HN 0.416 nan 8.230 nan 0.000 0.428 78 L N 3.372 124.516 121.223 -0.131 0.000 2.264 78 L HA 0.499 4.839 4.340 0.001 0.000 0.287 78 L C -1.070 175.608 176.870 -0.320 0.000 1.039 78 L CA 0.311 55.058 54.840 -0.154 0.000 0.829 78 L CB -0.047 41.992 42.059 -0.034 0.000 1.211 78 L HN 0.223 nan 8.230 nan 0.000 0.427 79 F N 3.669 123.369 119.950 -0.416 0.000 2.394 79 F HA 0.386 4.914 4.527 0.001 0.000 0.340 79 F C 0.845 176.397 175.800 -0.413 0.000 1.105 79 F CA -0.217 57.470 58.000 -0.521 0.000 1.124 79 F CB 0.977 39.372 39.000 -1.007 0.000 1.145 79 F HN 0.480 nan 8.300 nan 0.000 0.505 80 N N 2.144 120.835 118.700 -0.016 0.000 2.457 80 N HA 0.305 5.045 4.740 0.001 0.000 0.250 80 N C 0.375 175.877 175.510 -0.013 0.000 0.982 80 N CA 0.027 53.105 53.050 0.046 0.000 0.941 80 N CB 1.797 40.358 38.487 0.123 0.000 1.120 80 N HN 0.785 nan 8.380 nan 0.000 0.505 81 A N 3.207 125.970 122.820 -0.095 0.000 2.014 81 A HA -0.090 4.231 4.320 0.001 0.000 0.218 81 A C 1.805 179.047 177.584 -0.570 0.000 1.163 81 A CA 1.009 52.831 52.037 -0.358 0.000 0.652 81 A CB -0.196 18.427 19.000 -0.627 0.000 0.808 81 A HN 0.820 nan 8.150 nan 0.000 0.449 82 E N -1.869 118.023 120.200 -0.514 0.000 2.150 82 E HA -0.185 4.165 4.350 0.001 0.000 0.193 82 E C 1.079 177.339 176.600 -0.566 0.000 0.985 82 E CA 1.507 57.581 56.400 -0.544 0.000 0.814 82 E CB -0.021 29.177 29.700 -0.836 0.000 0.752 82 E HN 0.796 nan 8.360 nan 0.000 0.466 83 Y N -2.720 117.566 120.300 -0.024 0.000 2.736 83 Y HA 0.358 4.909 4.550 0.001 0.000 0.272 83 Y C 1.617 177.516 175.900 -0.002 0.000 1.118 83 Y CA 0.313 58.410 58.100 -0.006 0.000 1.248 83 Y CB 0.804 39.260 38.460 -0.006 0.000 1.437 83 Y HN 0.092 nan 8.280 nan 0.000 0.481 84 G N 0.317 109.210 108.800 0.156 0.000 2.260 84 G HA2 -0.222 3.738 3.960 0.001 0.000 0.179 84 G HA3 -0.222 3.738 3.960 0.001 0.000 0.179 84 G C -0.340 174.639 174.900 0.131 0.000 1.002 84 G CA -0.230 44.946 45.100 0.127 0.000 0.677 84 G HN 0.393 nan 8.290 nan 0.000 0.486 85 N N 1.337 120.102 118.700 0.108 0.000 2.513 85 N HA 0.495 5.235 4.740 0.001 0.000 0.268 85 N C -0.065 175.404 175.510 -0.069 0.000 1.180 85 N CA 0.743 53.809 53.050 0.026 0.000 0.948 85 N CB 1.410 39.911 38.487 0.023 0.000 1.083 85 N HN 0.749 nan 8.380 nan 0.000 0.455 86 S N -0.091 115.492 115.700 -0.196 0.000 2.526 86 S HA 0.714 5.184 4.470 0.001 0.000 0.293 86 S C -0.598 173.840 174.600 -0.270 0.000 1.092 86 S CA -0.934 57.009 58.200 -0.429 0.000 0.980 86 S CB 1.220 63.809 63.200 -1.017 0.000 1.048 86 S HN 0.821 nan 8.310 nan 0.000 0.483 87 S N 1.131 116.694 115.700 -0.230 0.000 2.536 87 S HA 0.653 5.124 4.470 0.001 0.000 0.287 87 S C -0.569 173.977 174.600 -0.091 0.000 1.101 87 S CA -0.999 57.127 58.200 -0.124 0.000 0.950 87 S CB 0.292 63.456 63.200 -0.059 0.000 1.056 87 S HN 0.663 nan 8.310 nan 0.000 0.481 88 I N 3.157 123.687 120.570 -0.067 0.000 2.581 88 I HA 0.134 4.305 4.170 0.001 0.000 0.285 88 I C 0.841 176.973 176.117 0.025 0.000 1.129 88 I CA -0.028 61.255 61.300 -0.028 0.000 1.397 88 I CB -0.222 37.753 38.000 -0.042 0.000 1.399 88 I HN 0.796 nan 8.210 nan 0.000 0.537 89 F N 6.629 126.531 119.950 -0.080 0.000 2.262 89 F HA 0.330 4.857 4.527 0.001 0.000 0.292 89 F C 0.576 176.345 175.800 -0.053 0.000 1.081 89 F CA 0.530 58.493 58.000 -0.061 0.000 1.355 89 F CB 0.476 39.447 39.000 -0.049 0.000 1.069 89 F HN 0.309 nan 8.300 nan 0.000 0.506 90 L N 0.521 121.801 121.223 0.095 0.000 2.543 90 L HA 0.287 4.628 4.340 0.001 0.000 0.265 90 L C -0.996 175.911 176.870 0.062 0.000 0.945 90 L CA -0.481 54.376 54.840 0.027 0.000 0.869 90 L CB 1.861 43.978 42.059 0.097 0.000 1.294 90 L HN -0.138 nan 8.230 nan 0.000 0.405 91 E N 1.165 121.379 120.200 0.023 0.000 2.349 91 E HA 0.099 4.450 4.350 0.001 0.000 0.265 91 E C 0.443 177.094 176.600 0.085 0.000 1.064 91 E CA 0.032 56.443 56.400 0.019 0.000 0.886 91 E CB 0.943 30.634 29.700 -0.014 0.000 1.036 91 E HN 0.651 nan 8.360 nan 0.000 0.413 92 N N 0.698 119.399 118.700 0.002 0.000 2.443 92 N HA -0.204 4.537 4.740 0.001 0.000 0.184 92 N C 1.239 176.770 175.510 0.035 0.000 1.037 92 N CA 1.622 54.649 53.050 -0.038 0.000 0.896 92 N CB 0.082 38.472 38.487 -0.163 0.000 0.959 92 N HN 0.340 nan 8.380 nan 0.000 0.442 93 S N -1.011 114.697 115.700 0.014 0.000 2.368 93 S HA -0.157 4.313 4.470 0.001 0.000 0.225 93 S C 1.782 176.381 174.600 -0.002 0.000 1.030 93 S CA 1.529 59.727 58.200 -0.004 0.000 0.999 93 S CB -1.359 61.829 63.200 -0.019 0.000 0.844 93 S HN 0.387 nan 8.310 nan 0.000 0.459 94 T N 1.021 115.577 114.554 0.004 0.000 3.025 94 T HA 0.102 4.453 4.350 0.001 0.000 0.270 94 T C 1.065 175.649 174.700 -0.192 0.000 1.126 94 T CA 0.921 62.967 62.100 -0.090 0.000 1.105 94 T CB -0.513 68.252 68.868 -0.171 0.000 0.884 94 T HN 0.437 nan 8.240 nan 0.000 0.522 95 F N 1.383 121.189 119.950 -0.240 0.000 2.219 95 F HA 0.063 4.590 4.527 0.001 0.000 0.294 95 F C 2.428 178.024 175.800 -0.340 0.000 1.086 95 F CA 0.582 58.370 58.000 -0.354 0.000 1.330 95 F CB -0.070 38.754 39.000 -0.292 0.000 1.047 95 F HN 0.080 nan 8.300 nan 0.000 0.495 96 D N 0.594 120.967 120.400 -0.046 0.000 2.149 96 D HA -0.192 4.449 4.640 0.001 0.000 0.198 96 D C 1.989 178.194 176.300 -0.158 0.000 0.990 96 D CA 1.649 55.589 54.000 -0.099 0.000 0.839 96 D CB -0.210 40.552 40.800 -0.063 0.000 0.948 96 D HN 0.543 nan 8.370 nan 0.000 0.460 97 E N 0.886 120.994 120.200 -0.154 0.000 2.204 97 E HA -0.147 4.204 4.350 0.001 0.000 0.195 97 E C 2.330 178.794 176.600 -0.227 0.000 0.990 97 E CA 0.556 56.869 56.400 -0.145 0.000 0.821 97 E CB -0.562 29.087 29.700 -0.085 0.000 0.750 97 E HN 0.283 nan 8.360 nan 0.000 0.477 98 L N 0.277 121.261 121.223 -0.399 0.000 2.191 98 L HA 0.001 4.342 4.340 0.001 0.000 0.212 98 L C 2.078 178.539 176.870 -0.681 0.000 1.103 98 L CA 1.088 55.527 54.840 -0.668 0.000 0.769 98 L CB -0.608 40.686 42.059 -1.275 0.000 0.908 98 L HN 0.542 nan 8.230 nan 0.000 0.438 99 G N -1.203 107.301 108.800 -0.493 0.000 2.217 99 G HA2 -0.309 3.651 3.960 0.001 0.000 0.246 99 G HA3 -0.309 3.651 3.960 0.001 0.000 0.246 99 G C 0.149 174.927 174.900 -0.204 0.000 0.990 99 G CA 0.237 45.174 45.100 -0.272 0.000 0.627 99 G HN 0.426 nan 8.290 nan 0.000 0.522 100 Y N -0.080 120.094 120.300 -0.209 0.000 2.549 100 Y HA 0.843 5.393 4.550 0.001 0.000 0.339 100 Y C 0.274 176.096 175.900 -0.131 0.000 1.053 100 Y CA -1.653 56.330 58.100 -0.195 0.000 1.105 100 Y CB 1.158 39.382 38.460 -0.393 0.000 1.258 100 Y HN 0.147 nan 8.280 nan 0.000 0.478 101 S N 1.310 117.129 115.700 0.198 0.000 2.422 101 S HA 0.285 4.755 4.470 0.001 0.000 0.283 101 S C -0.544 174.203 174.600 0.246 0.000 1.163 101 S CA -0.442 57.849 58.200 0.152 0.000 1.054 101 S CB -0.675 62.583 63.200 0.097 0.000 0.967 101 S HN 0.698 nan 8.310 nan 0.000 0.499 102 T N 5.406 120.108 114.554 0.247 0.000 2.749 102 T HA 0.161 4.511 4.350 0.001 0.000 0.295 102 T C 1.500 176.343 174.700 0.240 0.000 0.936 102 T CA -0.695 61.584 62.100 0.297 0.000 1.060 102 T CB 0.661 69.697 68.868 0.281 0.000 0.904 102 T HN 0.795 nan 8.240 nan 0.000 0.500 103 N N 2.488 121.316 118.700 0.214 0.000 2.415 103 N HA -0.005 4.735 4.740 0.001 0.000 0.174 103 N C -0.339 175.282 175.510 0.185 0.000 1.048 103 N CA 0.294 53.419 53.050 0.126 0.000 0.895 103 N CB 0.686 39.174 38.487 0.002 0.000 1.036 103 N HN 0.472 nan 8.380 nan 0.000 0.449 104 D N -0.789 119.788 120.400 0.295 0.000 2.602 104 D HA 0.275 4.916 4.640 0.001 0.000 0.236 104 D C -1.579 175.036 176.300 0.524 0.000 1.209 104 D CA -0.435 53.767 54.000 0.336 0.000 0.831 104 D CB 2.102 43.040 40.800 0.231 0.000 1.478 104 D HN 0.200 nan 8.370 nan 0.000 0.438 105 Y N -1.185 119.342 120.300 0.379 0.000 2.545 105 Y HA 0.730 5.281 4.550 0.001 0.000 0.348 105 Y C -1.095 174.990 175.900 0.308 0.000 1.002 105 Y CA -0.913 57.434 58.100 0.411 0.000 1.039 105 Y CB 1.927 40.675 38.460 0.480 0.000 1.271 105 Y HN 0.107 nan 8.280 nan 0.000 0.467 106 S N 2.537 118.457 115.700 0.367 0.000 2.776 106 S HA 0.556 5.027 4.470 0.001 0.000 0.284 106 S C -1.721 173.171 174.600 0.488 0.000 1.160 106 S CA -0.591 57.816 58.200 0.344 0.000 1.051 106 S CB 0.732 64.138 63.200 0.344 0.000 1.037 106 S HN 0.664 nan 8.310 nan 0.000 0.485 107 V N 5.303 125.385 119.914 0.279 0.000 2.432 107 V HA 0.386 4.506 4.120 0.001 0.000 0.275 107 V C 0.679 176.591 176.094 -0.304 0.000 1.043 107 V CA -0.588 61.752 62.300 0.068 0.000 0.925 107 V CB 1.332 33.175 31.823 0.034 0.000 0.985 107 V HN 0.999 nan 8.190 nan 0.000 0.466 108 S N 7.149 122.327 115.700 -0.870 0.000 2.558 108 S HA 0.118 4.588 4.470 0.001 0.000 0.288 108 S C -1.181 173.144 174.600 -0.458 0.000 1.318 108 S CA -0.686 56.758 58.200 -1.260 0.000 1.056 108 S CB 0.582 62.863 63.200 -1.531 0.000 0.853 108 S HN 0.674 nan 8.310 nan 0.000 0.505 109 P HA -0.164 nan 4.420 nan 0.000 0.220 109 P C 0.768 178.021 177.300 -0.079 0.000 1.144 109 P CA 1.478 64.510 63.100 -0.114 0.000 0.800 109 P CB -0.143 31.518 31.700 -0.065 0.000 0.772 110 D N -0.968 119.379 120.400 -0.089 0.000 2.349 110 D HA -0.063 4.578 4.640 0.001 0.000 0.215 110 D C 0.753 177.035 176.300 -0.030 0.000 1.016 110 D CA -0.091 53.895 54.000 -0.023 0.000 0.870 110 D CB -0.502 40.328 40.800 0.050 0.000 0.917 110 D HN -0.008 nan 8.370 nan 0.000 0.524 111 R N -0.900 119.564 120.500 -0.060 0.000 3.951 111 R HA -0.209 4.131 4.340 0.001 0.000 0.352 111 R C 1.161 177.436 176.300 -0.043 0.000 1.178 111 R CA 1.245 57.365 56.100 0.034 0.000 0.949 111 R CB -2.434 27.956 30.300 0.150 0.000 1.452 111 R HN 0.317 nan 8.270 nan 0.000 0.540 112 Q N -0.958 118.724 119.800 -0.196 0.000 2.354 112 Q HA 0.139 4.480 4.340 0.001 0.000 0.203 112 Q C -0.275 175.207 176.000 -0.864 0.000 0.933 112 Q CA 0.771 56.261 55.803 -0.523 0.000 0.901 112 Q CB 0.405 28.766 28.738 -0.628 0.000 1.007 112 Q HN 0.193 nan 8.270 nan 0.000 0.495 113 F N -0.694 119.152 119.950 -0.173 0.000 2.626 113 F HA 0.510 5.038 4.527 0.001 0.000 0.311 113 F C -0.665 175.110 175.800 -0.043 0.000 1.088 113 F CA -1.230 56.719 58.000 -0.085 0.000 0.949 113 F CB 1.704 40.690 39.000 -0.023 0.000 1.322 113 F HN -0.226 nan 8.300 nan 0.000 0.461 114 I N 2.431 123.192 120.570 0.318 0.000 2.619 114 I HA 0.603 4.773 4.170 0.001 0.000 0.292 114 I C -2.013 174.229 176.117 0.207 0.000 1.100 114 I CA -0.908 60.526 61.300 0.223 0.000 1.043 114 I CB 1.643 39.654 38.000 0.018 0.000 1.239 114 I HN 0.555 nan 8.210 nan 0.000 0.420 115 L N 7.652 129.080 121.223 0.340 0.000 2.325 115 L HA 0.571 4.911 4.340 0.001 0.000 0.279 115 L C -1.519 175.455 176.870 0.173 0.000 1.054 115 L CA 0.182 55.164 54.840 0.237 0.000 0.804 115 L CB 1.219 43.400 42.059 0.203 0.000 1.200 115 L HN 0.487 nan 8.230 nan 0.000 0.436 116 F N 3.080 123.251 119.950 0.367 0.000 2.467 116 F HA 0.384 4.912 4.527 0.001 0.000 0.336 116 F C 0.167 176.148 175.800 0.301 0.000 1.123 116 F CA -0.744 57.460 58.000 0.340 0.000 0.964 116 F CB 1.653 40.837 39.000 0.308 0.000 1.136 116 F HN 0.442 nan 8.300 nan 0.000 0.447 117 E N 4.881 125.358 120.200 0.462 0.000 2.134 117 E HA 0.325 4.676 4.350 0.001 0.000 0.278 117 E C -1.591 175.062 176.600 0.089 0.000 0.959 117 E CA -0.511 55.921 56.400 0.054 0.000 0.783 117 E CB 1.124 30.948 29.700 0.206 0.000 1.095 117 E HN 0.571 nan 8.360 nan 0.000 0.399 118 Y N 1.532 121.642 120.300 -0.317 0.000 2.705 118 Y HA 0.414 4.964 4.550 0.001 0.000 0.332 118 Y C -0.277 175.474 175.900 -0.249 0.000 1.221 118 Y CA -1.483 56.460 58.100 -0.263 0.000 1.059 118 Y CB 0.630 38.772 38.460 -0.531 0.000 1.298 118 Y HN 0.624 nan 8.280 nan 0.000 0.459 119 N N -0.212 118.436 118.700 -0.088 0.000 2.758 119 N HA -0.294 4.446 4.740 0.001 0.000 0.248 119 N C -1.418 174.043 175.510 -0.082 0.000 1.076 119 N CA 0.712 53.691 53.050 -0.119 0.000 0.696 119 N CB -1.328 36.973 38.487 -0.311 0.000 0.979 119 N HN 0.770 nan 8.380 nan 0.000 0.550 120 Y N 0.059 120.284 120.300 -0.126 0.000 2.745 120 Y HA 0.192 4.743 4.550 0.001 0.000 0.335 120 Y C 0.083 175.952 175.900 -0.051 0.000 1.212 120 Y CA 0.232 58.267 58.100 -0.108 0.000 1.535 120 Y CB 0.439 38.803 38.460 -0.160 0.000 1.220 120 Y HN -0.001 nan 8.280 nan 0.000 0.531 121 V N 7.963 127.786 119.914 -0.152 0.000 2.284 121 V HA 0.163 4.283 4.120 0.001 0.000 0.274 121 V C 0.031 176.029 176.094 -0.159 0.000 1.023 121 V CA -1.351 60.898 62.300 -0.085 0.000 0.808 121 V CB 0.881 32.657 31.823 -0.078 0.000 1.035 121 V HN 0.614 nan 8.190 nan 0.000 0.445 122 K N 3.383 123.756 120.400 -0.045 0.000 2.448 122 K HA 0.106 4.426 4.320 0.001 0.000 0.278 122 K C 0.467 176.988 176.600 -0.133 0.000 1.009 122 K CA 0.353 56.633 56.287 -0.012 0.000 0.995 122 K CB 0.985 33.586 32.500 0.168 0.000 0.917 122 K HN 0.797 nan 8.250 nan 0.000 0.481 123 Q N 3.071 122.725 119.800 -0.243 0.000 2.471 123 Q HA 0.137 4.478 4.340 0.001 0.000 0.207 123 Q C 0.049 175.822 176.000 -0.377 0.000 0.889 123 Q CA -0.138 55.300 55.803 -0.609 0.000 0.726 123 Q CB 0.114 28.281 28.738 -0.951 0.000 2.132 123 Q HN 0.698 nan 8.270 nan 0.000 0.531 124 W N -0.095 121.202 121.300 -0.004 0.000 2.090 124 W HA 0.417 5.077 4.660 0.001 0.000 0.609 124 W C 1.741 178.238 176.519 -0.036 0.000 1.671 124 W CA -0.858 56.502 57.345 0.026 0.000 1.756 124 W CB -0.118 29.318 29.460 -0.041 0.000 2.998 124 W HN 0.203 nan 8.180 nan 0.000 0.761 125 R N -0.511 120.065 120.500 0.127 0.000 2.091 125 R HA -0.159 4.182 4.340 0.001 0.000 0.238 125 R C 1.668 177.780 176.300 -0.313 0.000 1.136 125 R CA 1.868 57.852 56.100 -0.194 0.000 0.959 125 R CB -0.409 29.606 30.300 -0.475 0.000 0.856 125 R HN 0.516 nan 8.270 nan 0.000 0.437 126 H N -1.694 117.458 119.070 0.137 0.000 3.017 126 H HA 0.160 4.717 4.556 0.001 0.000 0.255 126 H C 0.477 175.915 175.328 0.184 0.000 0.990 126 H CA 0.341 56.501 56.048 0.187 0.000 1.205 126 H CB 0.416 30.271 29.762 0.156 0.000 1.460 126 H HN 0.115 nan 8.280 nan 0.000 0.478 127 S N 1.417 117.125 115.700 0.014 0.000 2.584 127 S HA 0.424 4.895 4.470 0.001 0.000 0.273 127 S C -0.370 174.075 174.600 -0.258 0.000 1.311 127 S CA -0.550 57.351 58.200 -0.499 0.000 1.034 127 S CB 0.713 63.169 63.200 -1.240 0.000 0.939 127 S HN 0.423 nan 8.310 nan 0.000 0.513 128 Y N -2.058 118.033 120.300 -0.348 0.000 2.641 128 Y HA 0.658 5.209 4.550 0.001 0.000 0.333 128 Y C -0.699 175.095 175.900 -0.176 0.000 1.174 128 Y CA -1.054 56.825 58.100 -0.369 0.000 1.057 128 Y CB 0.553 38.599 38.460 -0.690 0.000 1.322 128 Y HN 0.806 nan 8.280 nan 0.000 0.457 129 T N 0.173 114.695 114.554 -0.054 0.000 2.859 129 T HA 0.969 5.320 4.350 0.001 0.000 0.281 129 T C -0.360 174.348 174.700 0.013 0.000 1.005 129 T CA 0.021 62.126 62.100 0.009 0.000 1.025 129 T CB 1.514 70.379 68.868 -0.005 0.000 0.977 129 T HN 1.614 nan 8.240 nan 0.000 0.458 130 A N 1.824 124.650 122.820 0.011 0.000 2.594 130 A HA 0.794 5.115 4.320 0.001 0.000 0.291 130 A C -0.359 176.965 177.584 -0.433 0.000 1.105 130 A CA -1.019 50.883 52.037 -0.226 0.000 0.694 130 A CB 1.409 20.270 19.000 -0.231 0.000 1.291 130 A HN 0.855 nan 8.150 nan 0.000 0.410 131 S N -0.446 114.764 115.700 -0.817 0.000 2.608 131 S HA 0.748 5.218 4.470 0.001 0.000 0.291 131 S C -1.418 172.504 174.600 -1.130 0.000 1.146 131 S CA -0.066 57.588 58.200 -0.910 0.000 1.043 131 S CB 0.588 63.071 63.200 -1.194 0.000 1.037 131 S HN 0.449 nan 8.310 nan 0.000 0.520 132 Y N 0.152 120.248 120.300 -0.340 0.000 2.442 132 Y HA 0.437 4.988 4.550 0.001 0.000 0.344 132 Y C -0.328 175.604 175.900 0.053 0.000 0.976 132 Y CA -0.865 57.172 58.100 -0.105 0.000 1.040 132 Y CB 1.762 40.109 38.460 -0.187 0.000 1.228 132 Y HN 0.506 nan 8.280 nan 0.000 0.451 133 D N 3.233 123.860 120.400 0.379 0.000 2.649 133 D HA 0.492 5.132 4.640 0.001 0.000 0.249 133 D C -1.007 175.472 176.300 0.299 0.000 1.112 133 D CA -0.368 53.840 54.000 0.347 0.000 0.850 133 D CB 2.402 43.495 40.800 0.487 0.000 1.399 133 D HN 0.374 nan 8.370 nan 0.000 0.503 134 I N 1.836 122.525 120.570 0.198 0.000 2.359 134 I HA 0.288 4.459 4.170 0.001 0.000 0.294 134 I C -0.535 175.731 176.117 0.247 0.000 0.987 134 I CA -0.826 60.593 61.300 0.199 0.000 1.225 134 I CB 0.949 39.018 38.000 0.116 0.000 1.366 134 I HN 0.206 nan 8.210 nan 0.000 0.466 135 Y N 4.368 124.744 120.300 0.126 0.000 2.335 135 Y HA 0.325 4.876 4.550 0.001 0.000 0.338 135 Y C -0.153 175.843 175.900 0.159 0.000 0.977 135 Y CA -0.637 57.520 58.100 0.094 0.000 1.114 135 Y CB 1.175 39.610 38.460 -0.040 0.000 1.182 135 Y HN 0.560 nan 8.280 nan 0.000 0.463 136 D N 5.948 126.312 120.400 -0.059 0.000 2.336 136 D HA 0.083 4.724 4.640 0.001 0.000 0.249 136 D C 0.479 176.683 176.300 -0.159 0.000 1.213 136 D CA 0.347 54.285 54.000 -0.103 0.000 0.870 136 D CB 1.076 41.815 40.800 -0.102 0.000 1.076 136 D HN 0.818 nan 8.370 nan 0.000 0.483 137 L N 3.764 124.855 121.223 -0.220 0.000 2.552 137 L HA -0.014 4.327 4.340 0.001 0.000 0.227 137 L C 1.930 178.670 176.870 -0.217 0.000 1.146 137 L CA 0.285 55.029 54.840 -0.159 0.000 0.858 137 L CB -0.049 41.876 42.059 -0.224 0.000 0.969 137 L HN 0.365 nan 8.230 nan 0.000 0.451 138 N N 0.463 118.994 118.700 -0.282 0.000 2.368 138 N HA -0.086 4.654 4.740 0.001 0.000 0.178 138 N C 1.554 176.970 175.510 -0.156 0.000 1.021 138 N CA 0.765 53.682 53.050 -0.223 0.000 0.875 138 N CB 0.153 38.483 38.487 -0.261 0.000 1.020 138 N HN 0.414 nan 8.380 nan 0.000 0.433 139 K N 0.852 121.157 120.400 -0.159 0.000 2.353 139 K HA 0.212 4.532 4.320 0.001 0.000 0.195 139 K C -0.079 176.450 176.600 -0.119 0.000 1.031 139 K CA -0.108 56.107 56.287 -0.120 0.000 1.079 139 K CB 0.579 33.015 32.500 -0.108 0.000 0.857 139 K HN -0.235 nan 8.250 nan 0.000 0.535 140 R N 0.576 121.001 120.500 -0.124 0.000 3.422 140 R HA -0.170 4.170 4.340 0.001 0.000 0.267 140 R C -0.990 175.177 176.300 -0.221 0.000 1.074 140 R CA 0.837 56.918 56.100 -0.032 0.000 0.718 140 R CB -2.539 27.786 30.300 0.041 0.000 1.157 140 R HN 0.624 nan 8.270 nan 0.000 0.440 141 Q N -0.657 118.790 119.800 -0.587 0.000 2.511 141 Q HA 0.630 4.970 4.340 0.001 0.000 0.289 141 Q C -1.039 174.486 176.000 -0.791 0.000 1.021 141 Q CA -0.853 54.592 55.803 -0.596 0.000 0.785 141 Q CB 2.225 30.818 28.738 -0.243 0.000 1.472 141 Q HN 0.262 nan 8.270 nan 0.000 0.411 142 L N 1.889 122.840 121.223 -0.453 0.000 2.326 142 L HA 0.473 4.814 4.340 0.001 0.000 0.278 142 L C -0.924 175.896 176.870 -0.082 0.000 1.092 142 L CA -0.337 54.383 54.840 -0.199 0.000 0.810 142 L CB 0.636 42.715 42.059 0.033 0.000 1.153 142 L HN 0.633 nan 8.230 nan 0.000 0.439 143 I N 3.821 124.381 120.570 -0.017 0.000 2.452 143 I HA 0.045 4.216 4.170 0.001 0.000 0.287 143 I C 1.025 177.148 176.117 0.011 0.000 1.079 143 I CA 0.627 61.929 61.300 0.002 0.000 1.387 143 I CB 1.092 39.103 38.000 0.017 0.000 1.404 143 I HN 0.761 nan 8.210 nan 0.000 0.522 144 T N 1.676 116.229 114.554 -0.002 0.000 3.010 144 T HA 0.147 4.497 4.350 0.001 0.000 0.257 144 T C 0.334 175.026 174.700 -0.012 0.000 1.020 144 T CA -0.438 61.663 62.100 0.000 0.000 0.938 144 T CB -0.103 68.765 68.868 0.000 0.000 1.049 144 T HN 0.565 nan 8.240 nan 0.000 0.522 145 E N 2.072 122.262 120.200 -0.017 0.000 2.216 145 E HA 0.230 4.580 4.350 0.001 0.000 0.279 145 E C -0.703 175.877 176.600 -0.034 0.000 0.997 145 E CA -0.607 55.780 56.400 -0.022 0.000 0.817 145 E CB 0.887 30.579 29.700 -0.015 0.000 1.096 145 E HN 0.052 nan 8.360 nan 0.000 0.393 146 E N 1.663 121.836 120.200 -0.045 0.000 2.183 146 E HA -0.233 4.118 4.350 0.001 0.000 0.196 146 E C -0.483 176.063 176.600 -0.089 0.000 1.364 146 E CA 0.721 57.084 56.400 -0.063 0.000 0.700 146 E CB -1.171 28.506 29.700 -0.039 0.000 1.106 146 E HN 0.550 nan 8.360 nan 0.000 0.347 147 R N -0.231 120.205 120.500 -0.107 0.000 2.707 147 R HA 0.381 4.722 4.340 0.001 0.000 0.270 147 R C 1.001 177.156 176.300 -0.241 0.000 1.083 147 R CA -0.708 55.313 56.100 -0.131 0.000 1.182 147 R CB 0.453 30.701 30.300 -0.087 0.000 1.084 147 R HN 0.090 nan 8.270 nan 0.000 0.528 148 I N 3.070 123.460 120.570 -0.301 0.000 2.533 148 I HA 0.041 4.211 4.170 0.001 0.000 0.284 148 I C -1.825 174.002 176.117 -0.483 0.000 1.109 148 I CA -1.430 59.542 61.300 -0.547 0.000 1.412 148 I CB 0.522 38.167 38.000 -0.591 0.000 1.396 148 I HN 0.313 nan 8.210 nan 0.000 0.543 149 P HA -0.001 nan 4.420 nan 0.000 0.267 149 P C -0.962 176.105 177.300 -0.388 0.000 1.201 149 P CA -0.099 62.582 63.100 -0.697 0.000 0.775 149 P CB 0.295 31.086 31.700 -1.516 0.000 0.854 150 N N 2.901 121.468 118.700 -0.221 0.000 2.525 150 N HA 0.041 4.781 4.740 0.001 0.000 0.271 150 N C 0.019 175.606 175.510 0.128 0.000 1.194 150 N CA 0.062 53.069 53.050 -0.071 0.000 0.964 150 N CB -0.022 38.437 38.487 -0.046 0.000 1.126 150 N HN 0.417 nan 8.380 nan 0.000 0.452 151 N N -0.770 117.977 118.700 0.080 0.000 2.816 151 N HA -0.136 4.605 4.740 0.001 0.000 0.247 151 N C -0.927 174.751 175.510 0.279 0.000 1.100 151 N CA 0.641 53.777 53.050 0.143 0.000 0.687 151 N CB -1.888 36.684 38.487 0.142 0.000 1.003 151 N HN 0.519 nan 8.380 nan 0.000 0.554 152 T N 0.820 115.521 114.554 0.244 0.000 2.814 152 T HA 0.132 4.482 4.350 0.001 0.000 0.297 152 T C 1.723 176.576 174.700 0.254 0.000 0.956 152 T CA 0.018 62.298 62.100 0.300 0.000 1.123 152 T CB 1.202 70.182 68.868 0.187 0.000 0.902 152 T HN 0.177 nan 8.240 nan 0.000 0.528 153 Q N 2.279 122.235 119.800 0.260 0.000 2.123 153 Q HA 0.118 4.458 4.340 0.001 0.000 0.196 153 Q C 0.322 176.495 176.000 0.288 0.000 0.958 153 Q CA 0.683 56.656 55.803 0.284 0.000 0.841 153 Q CB 0.597 29.499 28.738 0.274 0.000 0.915 153 Q HN 0.693 nan 8.270 nan 0.000 0.455 154 W N -0.254 121.028 121.300 -0.029 0.000 3.167 154 W HA 0.625 5.285 4.660 0.001 0.000 0.324 154 W C -2.127 174.336 176.519 -0.093 0.000 1.230 154 W CA -0.841 56.442 57.345 -0.103 0.000 1.184 154 W CB 1.460 30.800 29.460 -0.199 0.000 1.414 154 W HN -0.058 nan 8.180 nan 0.000 0.551 155 I N 3.586 123.515 120.570 -1.068 0.000 2.841 155 I HA 0.571 4.742 4.170 0.001 0.000 0.298 155 I C -1.489 174.028 176.117 -1.000 0.000 1.304 155 I CA -0.001 60.793 61.300 -0.844 0.000 1.019 155 I CB 2.526 39.911 38.000 -1.024 0.000 1.282 155 I HN 0.348 nan 8.210 nan 0.000 0.432 156 T N 4.416 118.680 114.554 -0.483 0.000 3.047 156 T HA 0.401 4.751 4.350 0.001 0.000 0.340 156 T C -1.771 172.893 174.700 -0.060 0.000 1.421 156 T CA -0.334 61.637 62.100 -0.215 0.000 1.090 156 T CB 0.504 69.469 68.868 0.161 0.000 1.292 156 T HN 0.525 nan 8.240 nan 0.000 0.480 157 W N 3.155 124.469 121.300 0.023 0.000 2.150 157 W HA 0.462 5.123 4.660 0.001 0.000 0.341 157 W C 1.328 177.688 176.519 -0.265 0.000 1.276 157 W CA -0.502 56.803 57.345 -0.067 0.000 1.238 157 W CB 0.620 30.050 29.460 -0.049 0.000 1.128 157 W HN 0.829 nan 8.180 nan 0.000 0.581 158 S N 1.499 116.936 115.700 -0.437 0.000 2.587 158 S HA 0.092 4.562 4.470 0.001 0.000 0.260 158 S C -1.836 172.558 174.600 -0.342 0.000 1.353 158 S CA -0.872 56.660 58.200 -1.113 0.000 0.995 158 S CB 0.505 62.933 63.200 -1.287 0.000 0.912 158 S HN 0.311 nan 8.310 nan 0.000 0.568 159 P HA 0.128 nan 4.420 nan 0.000 0.231 159 P C 0.177 177.439 177.300 -0.064 0.000 1.168 159 P CA 0.313 63.388 63.100 -0.042 0.000 0.779 159 P CB -0.158 31.557 31.700 0.025 0.000 0.844 160 V N -6.274 113.556 119.914 -0.139 0.000 3.141 160 V HA 0.892 5.012 4.120 0.001 0.000 0.312 160 V C 0.749 176.751 176.094 -0.153 0.000 1.157 160 V CA -0.375 61.859 62.300 -0.110 0.000 1.041 160 V CB 0.851 32.621 31.823 -0.088 0.000 1.071 160 V HN 0.349 nan 8.190 nan 0.000 0.441 161 G N 1.472 110.211 108.800 -0.102 0.000 2.596 161 G HA2 -0.238 3.723 3.960 0.001 0.000 0.295 161 G HA3 -0.238 3.723 3.960 0.001 0.000 0.295 161 G C 0.337 175.205 174.900 -0.054 0.000 1.240 161 G CA 1.066 46.105 45.100 -0.101 0.000 0.985 161 G HN 2.567 nan 8.290 nan 0.000 0.555 162 H N -0.658 118.402 119.070 -0.016 0.000 3.064 162 H HA 0.407 4.964 4.556 0.001 0.000 0.232 162 H C 0.152 175.622 175.328 0.237 0.000 1.308 162 H CA -0.175 55.918 56.048 0.074 0.000 1.010 162 H CB -0.348 29.498 29.762 0.140 0.000 2.408 162 H HN 0.500 nan 8.280 nan 0.000 0.599 163 K N 1.623 122.001 120.400 -0.036 0.000 2.237 163 K HA 0.439 4.760 4.320 0.001 0.000 0.270 163 K C -0.410 176.244 176.600 0.089 0.000 1.015 163 K CA -0.419 55.841 56.287 -0.045 0.000 0.949 163 K CB 1.750 34.081 32.500 -0.282 0.000 0.976 163 K HN 0.149 nan 8.250 nan 0.000 0.472 164 L N 1.354 122.651 121.223 0.123 0.000 2.362 164 L HA 0.551 4.891 4.340 0.001 0.000 0.271 164 L C -0.861 176.184 176.870 0.293 0.000 1.002 164 L CA -0.661 54.219 54.840 0.067 0.000 0.818 164 L CB 2.075 44.034 42.059 -0.167 0.000 1.298 164 L HN 0.701 nan 8.230 nan 0.000 0.420 165 A N 2.766 125.781 122.820 0.325 0.000 2.374 165 A HA 0.813 5.134 4.320 0.001 0.000 0.305 165 A C -1.613 176.046 177.584 0.126 0.000 1.053 165 A CA -0.386 51.768 52.037 0.195 0.000 0.726 165 A CB 1.164 20.233 19.000 0.116 0.000 1.229 165 A HN 0.653 nan 8.150 nan 0.000 0.431 166 Y N -0.552 119.745 120.300 -0.005 0.000 2.615 166 Y HA 0.783 5.333 4.550 0.001 0.000 0.341 166 Y C -1.285 174.675 175.900 0.101 0.000 1.089 166 Y CA -1.594 56.488 58.100 -0.031 0.000 1.049 166 Y CB 1.191 39.559 38.460 -0.153 0.000 1.296 166 Y HN 0.410 nan 8.280 nan 0.000 0.470 167 V N 1.921 122.015 119.914 0.300 0.000 2.448 167 V HA 0.371 4.492 4.120 0.001 0.000 0.295 167 V C -1.494 174.854 176.094 0.423 0.000 1.025 167 V CA -0.618 61.836 62.300 0.256 0.000 0.859 167 V CB 1.258 33.149 31.823 0.113 0.000 0.988 167 V HN 0.869 nan 8.190 nan 0.000 0.431 168 W N 4.911 126.347 121.300 0.227 0.000 3.042 168 W HA 0.469 5.129 4.660 0.001 0.000 0.337 168 W C 0.260 176.858 176.519 0.133 0.000 1.086 168 W CA -0.782 56.655 57.345 0.152 0.000 1.236 168 W CB 1.274 30.785 29.460 0.085 0.000 1.381 168 W HN 0.784 nan 8.180 nan 0.000 0.472 169 N N 5.351 123.708 118.700 -0.572 0.000 2.714 169 N HA -0.365 4.376 4.740 0.001 0.000 0.252 169 N C 0.118 175.487 175.510 -0.235 0.000 1.014 169 N CA 1.127 53.850 53.050 -0.545 0.000 0.735 169 N CB -1.130 36.809 38.487 -0.914 0.000 0.924 169 N HN 0.831 nan 8.380 nan 0.000 0.540 170 N N -2.149 116.481 118.700 -0.117 0.000 2.828 170 N HA -0.180 4.561 4.740 0.001 0.000 0.248 170 N C -1.354 174.127 175.510 -0.048 0.000 1.044 170 N CA 1.130 54.131 53.050 -0.081 0.000 0.851 170 N CB -0.270 38.103 38.487 -0.190 0.000 1.136 170 N HN 0.468 nan 8.380 nan 0.000 0.572 171 D N 0.354 120.759 120.400 0.009 0.000 2.340 171 D HA 0.454 5.094 4.640 0.001 0.000 0.240 171 D C 0.077 176.315 176.300 -0.103 0.000 1.001 171 D CA -0.406 53.549 54.000 -0.076 0.000 0.888 171 D CB 1.612 42.350 40.800 -0.103 0.000 1.310 171 D HN 0.013 nan 8.370 nan 0.000 0.474 172 I N 1.607 121.953 120.570 -0.372 0.000 2.396 172 I HA 0.207 4.377 4.170 0.001 0.000 0.292 172 I C -0.687 175.050 176.117 -0.633 0.000 0.999 172 I CA -0.354 60.701 61.300 -0.409 0.000 1.310 172 I CB 0.500 38.179 38.000 -0.535 0.000 1.404 172 I HN 0.153 nan 8.210 nan 0.000 0.496 173 Y N 4.235 124.205 120.300 -0.550 0.000 2.462 173 Y HA 0.638 5.189 4.550 0.001 0.000 0.346 173 Y C -0.422 175.154 175.900 -0.541 0.000 0.976 173 Y CA -0.960 56.761 58.100 -0.630 0.000 1.044 173 Y CB 2.078 39.901 38.460 -1.062 0.000 1.230 173 Y HN 0.111 nan 8.280 nan 0.000 0.455 174 V N 3.395 123.235 119.914 -0.122 0.000 2.531 174 V HA 0.415 4.536 4.120 0.001 0.000 0.301 174 V C -0.861 175.286 176.094 0.089 0.000 1.034 174 V CA -1.413 60.894 62.300 0.011 0.000 0.865 174 V CB 1.768 33.609 31.823 0.031 0.000 0.995 174 V HN 0.620 nan 8.190 nan 0.000 0.424 175 K N 3.706 124.188 120.400 0.137 0.000 2.293 175 K HA 0.427 4.747 4.320 0.001 0.000 0.267 175 K C 0.690 177.349 176.600 0.099 0.000 1.010 175 K CA -0.488 55.865 56.287 0.110 0.000 0.875 175 K CB 1.264 33.818 32.500 0.090 0.000 1.106 175 K HN 0.522 nan 8.250 nan 0.000 0.450 176 N N 1.905 120.652 118.700 0.079 0.000 2.270 176 N HA -0.085 4.656 4.740 0.001 0.000 0.181 176 N C -0.292 175.248 175.510 0.050 0.000 1.016 176 N CA 1.174 54.255 53.050 0.053 0.000 0.870 176 N CB 0.493 39.007 38.487 0.045 0.000 0.979 176 N HN 0.574 nan 8.380 nan 0.000 0.431 177 E N -0.851 119.388 120.200 0.065 0.000 2.340 177 E HA 0.243 4.594 4.350 0.001 0.000 0.273 177 E C -2.033 174.549 176.600 -0.030 0.000 0.891 177 E CA -1.752 54.692 56.400 0.074 0.000 0.757 177 E CB 2.060 31.816 29.700 0.094 0.000 1.231 177 E HN -0.148 nan 8.360 nan 0.000 0.439 178 P HA -0.152 nan 4.420 nan 0.000 0.218 178 P C 1.004 178.241 177.300 -0.106 0.000 1.149 178 P CA 1.243 64.214 63.100 -0.216 0.000 0.817 178 P CB 0.270 31.673 31.700 -0.495 0.000 0.785 179 N N -0.772 117.890 118.700 -0.064 0.000 2.415 179 N HA -0.033 4.708 4.740 0.001 0.000 0.176 179 N C 0.630 176.137 175.510 -0.005 0.000 1.042 179 N CA 0.255 53.295 53.050 -0.016 0.000 0.902 179 N CB -0.421 38.074 38.487 0.014 0.000 0.986 179 N HN 0.164 nan 8.380 nan 0.000 0.447 180 L N 1.162 122.388 121.223 0.005 0.000 2.466 180 L HA 0.102 4.443 4.340 0.001 0.000 0.257 180 L C 0.899 177.780 176.870 0.018 0.000 1.189 180 L CA -0.396 54.455 54.840 0.019 0.000 0.813 180 L CB 0.905 42.985 42.059 0.034 0.000 1.118 180 L HN 0.074 nan 8.230 nan 0.000 0.471 181 S N 0.284 115.999 115.700 0.025 0.000 2.564 181 S HA 0.118 4.588 4.470 0.001 0.000 0.278 181 S C 0.068 174.702 174.600 0.056 0.000 1.333 181 S CA -0.791 57.427 58.200 0.030 0.000 1.048 181 S CB 0.630 63.847 63.200 0.029 0.000 0.900 181 S HN 0.630 nan 8.310 nan 0.000 0.505 182 S N 3.466 119.213 115.700 0.078 0.000 2.580 182 S HA 0.366 4.837 4.470 0.001 0.000 0.274 182 S C -0.465 174.213 174.600 0.129 0.000 1.329 182 S CA -0.623 57.653 58.200 0.127 0.000 1.036 182 S CB 1.109 64.433 63.200 0.207 0.000 0.919 182 S HN 0.734 nan 8.310 nan 0.000 0.515 183 Q N 1.481 121.339 119.800 0.097 0.000 2.290 183 Q HA 0.375 4.716 4.340 0.001 0.000 0.259 183 Q C -0.436 175.558 176.000 -0.009 0.000 0.941 183 Q CA -0.396 55.445 55.803 0.063 0.000 0.912 183 Q CB 1.109 29.871 28.738 0.040 0.000 1.244 183 Q HN 0.769 nan 8.270 nan 0.000 0.441 184 R N 4.435 124.921 120.500 -0.024 0.000 2.401 184 R HA 0.118 4.458 4.340 0.001 0.000 0.299 184 R C 0.339 176.539 176.300 -0.167 0.000 1.064 184 R CA -0.052 55.881 56.100 -0.278 0.000 1.000 184 R CB 0.405 30.610 30.300 -0.159 0.000 0.973 184 R HN 0.754 nan 8.270 nan 0.000 0.438 185 I N 1.929 122.295 120.570 -0.340 0.000 2.731 185 I HA -0.018 4.152 4.170 0.001 0.000 0.260 185 I C 1.013 176.979 176.117 -0.252 0.000 1.138 185 I CA 1.021 62.152 61.300 -0.281 0.000 1.461 185 I CB -0.536 37.224 38.000 -0.401 0.000 1.128 185 I HN 0.621 nan 8.210 nan 0.000 0.438 186 T N -3.952 110.450 114.554 -0.254 0.000 2.893 186 T HA 0.360 4.710 4.350 0.001 0.000 0.291 186 T C -0.376 174.423 174.700 0.165 0.000 1.028 186 T CA -0.502 61.519 62.100 -0.132 0.000 0.995 186 T CB 2.147 70.852 68.868 -0.272 0.000 1.051 186 T HN 0.096 nan 8.240 nan 0.000 0.470 187 W N 0.537 121.720 121.300 -0.195 0.000 2.871 187 W HA 0.221 4.881 4.660 0.000 0.000 0.340 187 W C 2.100 178.559 176.519 -0.100 0.000 1.058 187 W CA -0.043 57.223 57.345 -0.132 0.000 1.633 187 W CB -0.470 28.932 29.460 -0.097 0.000 1.067 187 W HN 0.923 nan 8.180 nan 0.000 0.554 188 T N -2.334 112.279 114.554 0.100 0.000 3.067 188 T HA 0.166 4.517 4.350 0.001 0.000 0.261 188 T C 1.411 176.113 174.700 0.004 0.000 1.110 188 T CA 0.463 62.592 62.100 0.048 0.000 1.113 188 T CB -0.421 68.466 68.868 0.032 0.000 0.917 188 T HN 0.029 nan 8.240 nan 0.000 0.499 189 G N 1.557 110.340 108.800 -0.027 0.000 2.150 189 G HA2 0.279 4.239 3.960 0.001 0.000 0.250 189 G HA3 0.279 4.239 3.960 0.001 0.000 0.250 189 G C -0.515 174.324 174.900 -0.103 0.000 1.179 189 G CA -0.274 44.780 45.100 -0.077 0.000 0.934 189 G HN 0.576 nan 8.290 nan 0.000 0.453 190 K N 2.118 122.433 120.400 -0.142 0.000 2.535 190 K HA 0.204 4.524 4.320 0.001 0.000 0.251 190 K C -0.232 176.240 176.600 -0.212 0.000 0.942 190 K CA -0.723 55.480 56.287 -0.141 0.000 0.798 190 K CB 1.762 34.214 32.500 -0.080 0.000 1.267 190 K HN 0.532 nan 8.250 nan 0.000 0.434 191 E N 2.946 123.037 120.200 -0.183 0.000 2.480 191 E HA -0.112 4.238 4.350 0.001 0.000 0.258 191 E C -0.414 176.110 176.600 -0.127 0.000 0.984 191 E CA 0.990 57.284 56.400 -0.176 0.000 0.930 191 E CB 0.094 29.721 29.700 -0.122 0.000 0.936 191 E HN 0.814 nan 8.360 nan 0.000 0.466 192 N N 1.568 120.192 118.700 -0.126 0.000 2.863 192 N HA -0.252 4.489 4.740 0.001 0.000 0.245 192 N C 0.274 175.838 175.510 0.090 0.000 1.001 192 N CA 0.521 53.605 53.050 0.057 0.000 0.901 192 N CB -0.406 38.124 38.487 0.072 0.000 1.124 192 N HN 0.241 nan 8.380 nan 0.000 0.582 193 V N -0.705 119.187 119.914 -0.037 0.000 3.278 193 V HA 0.292 4.412 4.120 0.001 0.000 0.215 193 V C 0.287 176.442 176.094 0.102 0.000 1.287 193 V CA 0.450 62.786 62.300 0.060 0.000 1.302 193 V CB 0.682 32.517 31.823 0.019 0.000 1.228 193 V HN 0.087 nan 8.190 nan 0.000 0.523 194 I N 0.773 121.309 120.570 -0.056 0.000 2.406 194 I HA 0.458 4.629 4.170 0.001 0.000 0.290 194 I C -1.538 174.530 176.117 -0.082 0.000 0.999 194 I CA -0.484 60.846 61.300 0.049 0.000 1.124 194 I CB 1.283 39.306 38.000 0.039 0.000 1.289 194 I HN 0.240 nan 8.210 nan 0.000 0.441 195 Y N 4.430 124.827 120.300 0.162 0.000 2.338 195 Y HA 0.383 4.934 4.550 0.001 0.000 0.328 195 Y C 0.267 176.269 175.900 0.171 0.000 0.965 195 Y CA -0.784 57.423 58.100 0.179 0.000 1.208 195 Y CB 1.114 39.736 38.460 0.269 0.000 1.132 195 Y HN 0.408 nan 8.280 nan 0.000 0.469 196 N N 2.383 121.185 118.700 0.171 0.000 2.469 196 N HA 0.353 5.094 4.740 0.001 0.000 0.253 196 N C 0.862 176.373 175.510 0.002 0.000 0.970 196 N CA 0.484 53.584 53.050 0.084 0.000 0.940 196 N CB 1.813 40.243 38.487 -0.095 0.000 1.128 196 N HN 0.997 nan 8.380 nan 0.000 0.503 197 G N 0.593 109.438 108.800 0.075 0.000 2.199 197 G HA2 -0.278 3.682 3.960 0.001 0.000 0.254 197 G HA3 -0.278 3.682 3.960 0.001 0.000 0.254 197 G C 0.035 174.861 174.900 -0.123 0.000 0.982 197 G CA 0.685 45.757 45.100 -0.047 0.000 0.632 197 G HN 0.646 nan 8.290 nan 0.000 0.529 198 V N -1.579 118.311 119.914 -0.041 0.000 2.962 198 V HA 0.925 5.045 4.120 0.001 0.000 0.313 198 V C 0.410 176.499 176.094 -0.008 0.000 1.099 198 V CA -0.083 62.063 62.300 -0.258 0.000 0.971 198 V CB 1.457 32.876 31.823 -0.673 0.000 1.028 198 V HN 1.068 nan 8.190 nan 0.000 0.430 199 T N 0.264 114.690 114.554 -0.214 0.000 2.868 199 T HA 0.422 4.773 4.350 0.001 0.000 0.292 199 T C -0.073 174.317 174.700 -0.517 0.000 1.028 199 T CA -0.185 61.556 62.100 -0.598 0.000 1.059 199 T CB 0.965 69.541 68.868 -0.487 0.000 0.991 199 T HN 1.076 nan 8.240 nan 0.000 0.531 200 D N 0.422 120.231 120.400 -0.985 0.000 2.447 200 D HA 0.014 4.654 4.640 0.001 0.000 0.265 200 D C 0.973 177.107 176.300 -0.276 0.000 1.250 200 D CA -1.070 52.387 54.000 -0.905 0.000 1.046 200 D CB 0.141 40.366 40.800 -0.958 0.000 1.095 200 D HN 0.702 nan 8.370 nan 0.000 0.555 201 W N 0.090 121.257 121.300 -0.221 0.000 2.317 201 W HA -0.214 4.446 4.660 0.001 0.000 0.318 201 W C 2.184 178.550 176.519 -0.255 0.000 1.227 201 W CA 2.169 59.396 57.345 -0.197 0.000 1.269 201 W CB -0.430 28.868 29.460 -0.271 0.000 1.155 201 W HN 0.184 nan 8.180 nan 0.000 0.484 202 V N -0.301 119.636 119.914 0.038 0.000 2.548 202 V HA -0.272 3.849 4.120 0.001 0.000 0.249 202 V C 1.774 177.648 176.094 -0.367 0.000 1.055 202 V CA 1.818 64.042 62.300 -0.127 0.000 1.065 202 V CB -0.683 31.062 31.823 -0.131 0.000 0.681 202 V HN 0.278 nan 8.190 nan 0.000 0.462 203 Y N 0.425 120.453 120.300 -0.453 0.000 2.314 203 Y HA -0.132 4.419 4.550 0.001 0.000 0.293 203 Y C 2.543 178.175 175.900 -0.447 0.000 1.129 203 Y CA 1.960 59.723 58.100 -0.562 0.000 1.201 203 Y CB 0.051 37.931 38.460 -0.966 0.000 0.999 203 Y HN 0.350 nan 8.280 nan 0.000 0.541 204 E N 0.307 120.353 120.200 -0.257 0.000 2.015 204 E HA -0.279 4.072 4.350 0.001 0.000 0.191 204 E C 2.018 178.537 176.600 -0.136 0.000 0.991 204 E CA 1.485 57.806 56.400 -0.131 0.000 0.802 204 E CB 0.011 29.649 29.700 -0.104 0.000 0.759 204 E HN 0.381 nan 8.360 nan 0.000 0.447 205 E N 0.209 120.155 120.200 -0.423 0.000 2.072 205 E HA -0.162 4.189 4.350 0.001 0.000 0.191 205 E C 1.563 178.060 176.600 -0.172 0.000 0.985 205 E CA 1.516 57.681 56.400 -0.391 0.000 0.801 205 E CB 0.188 29.337 29.700 -0.919 0.000 0.750 205 E HN 0.203 nan 8.360 nan 0.000 0.452 206 E N -1.013 119.063 120.200 -0.207 0.000 2.490 206 E HA 0.113 4.464 4.350 0.001 0.000 0.209 206 E C 1.485 178.021 176.600 -0.106 0.000 0.971 206 E CA 0.295 56.634 56.400 -0.102 0.000 0.988 206 E CB 1.227 30.855 29.700 -0.119 0.000 1.029 206 E HN 0.196 nan 8.360 nan 0.000 0.496 207 V N -0.312 119.523 119.914 -0.131 0.000 3.001 207 V HA 0.059 4.180 4.120 0.001 0.000 0.228 207 V C 1.522 177.791 176.094 0.293 0.000 1.204 207 V CA 0.453 62.738 62.300 -0.025 0.000 1.247 207 V CB -0.189 31.479 31.823 -0.258 0.000 1.093 207 V HN 0.014 nan 8.190 nan 0.000 0.504 208 F N 0.599 120.556 119.950 0.012 0.000 2.473 208 F HA 0.318 4.845 4.527 0.001 0.000 0.294 208 F C 1.843 177.614 175.800 -0.048 0.000 1.103 208 F CA 0.464 58.488 58.000 0.039 0.000 1.442 208 F CB -0.428 38.621 39.000 0.080 0.000 1.097 208 F HN 0.192 nan 8.300 nan 0.000 0.547 209 S N -0.177 115.576 115.700 0.088 0.000 3.641 209 S HA -0.007 4.463 4.470 0.001 0.000 0.346 209 S C -0.051 174.219 174.600 -0.551 0.000 1.074 209 S CA 0.412 58.521 58.200 -0.153 0.000 1.026 209 S CB -1.414 61.736 63.200 -0.084 0.000 0.908 209 S HN 0.703 nan 8.310 nan 0.000 0.479 210 A N -0.519 122.163 122.820 -0.230 0.000 2.601 210 A HA 0.677 4.998 4.320 0.001 0.000 0.291 210 A C -0.418 177.213 177.584 0.078 0.000 1.075 210 A CA -0.234 51.710 52.037 -0.154 0.000 0.671 210 A CB 0.154 19.083 19.000 -0.118 0.000 1.277 210 A HN 0.493 nan 8.150 nan 0.000 0.417 211 Y N 0.957 121.179 120.300 -0.129 0.000 2.436 211 Y HA 0.258 4.809 4.550 0.001 0.000 0.288 211 Y C 1.530 177.228 175.900 -0.336 0.000 1.112 211 Y CA 0.895 58.904 58.100 -0.151 0.000 1.220 211 Y CB 0.055 38.466 38.460 -0.083 0.000 1.073 211 Y HN 0.639 nan 8.280 nan 0.000 0.552 212 S N 0.739 116.004 115.700 -0.725 0.000 2.533 212 S HA 0.427 4.898 4.470 0.001 0.000 0.282 212 S C 0.349 174.585 174.600 -0.606 0.000 1.304 212 S CA 0.214 57.685 58.200 -1.216 0.000 1.063 212 S CB 0.304 62.362 63.200 -1.904 0.000 0.881 212 S HN 0.409 nan 8.310 nan 0.000 0.493 213 A N 5.947 128.413 122.820 -0.589 0.000 2.812 213 A HA 0.530 4.850 4.320 0.001 0.000 0.294 213 A C -0.487 176.523 177.584 -0.957 0.000 1.014 213 A CA -0.449 51.295 52.037 -0.488 0.000 1.024 213 A CB -0.043 19.088 19.000 0.218 0.000 1.162 213 A HN 0.727 nan 8.150 nan 0.000 0.511 214 L N 0.428 120.898 121.223 -1.256 0.000 2.386 214 L HA 0.601 4.941 4.340 0.001 0.000 0.271 214 L C -1.222 175.166 176.870 -0.804 0.000 0.993 214 L CA -0.532 53.868 54.840 -0.733 0.000 0.819 214 L CB 1.964 43.855 42.059 -0.280 0.000 1.294 214 L HN 0.470 nan 8.230 nan 0.000 0.414 215 W N 2.627 124.018 121.300 0.151 0.000 2.591 215 W HA 0.216 4.876 4.660 0.001 0.000 0.311 215 W C -1.078 175.689 176.519 0.413 0.000 1.003 215 W CA -1.084 56.460 57.345 0.332 0.000 1.332 215 W CB 1.125 30.814 29.460 0.381 0.000 1.272 215 W HN 0.479 nan 8.180 nan 0.000 0.412 216 W N 2.519 124.054 121.300 0.391 0.000 2.190 216 W HA 0.201 4.861 4.660 0.001 0.000 0.330 216 W C 1.338 177.684 176.519 -0.288 0.000 1.299 216 W CA 0.444 57.866 57.345 0.128 0.000 1.215 216 W CB 0.869 30.381 29.460 0.087 0.000 1.147 216 W HN 0.185 nan 8.180 nan 0.000 0.563 217 S N 3.029 118.461 115.700 -0.447 0.000 2.592 217 S HA 0.197 4.668 4.470 0.001 0.000 0.271 217 S C -1.749 172.633 174.600 -0.362 0.000 1.326 217 S CA -1.096 56.376 58.200 -1.213 0.000 1.024 217 S CB 1.340 63.816 63.200 -1.207 0.000 0.921 217 S HN 0.277 nan 8.310 nan 0.000 0.527 218 P HA -0.155 nan 4.420 nan 0.000 0.216 218 P C 0.796 178.069 177.300 -0.044 0.000 1.154 218 P CA 1.485 64.561 63.100 -0.040 0.000 0.865 218 P CB -0.078 31.639 31.700 0.029 0.000 0.789 219 N N -2.138 116.521 118.700 -0.067 0.000 2.235 219 N HA 0.074 4.815 4.740 0.001 0.000 0.209 219 N C 0.680 176.129 175.510 -0.102 0.000 1.122 219 N CA 0.504 53.513 53.050 -0.068 0.000 0.845 219 N CB -0.019 38.443 38.487 -0.043 0.000 1.004 219 N HN 0.023 nan 8.380 nan 0.000 0.499 220 G N 0.374 109.120 108.800 -0.090 0.000 2.155 220 G HA2 -0.309 3.652 3.960 0.001 0.000 0.257 220 G HA3 -0.309 3.652 3.960 0.001 0.000 0.257 220 G C 0.907 175.843 174.900 0.061 0.000 0.983 220 G CA 1.031 46.100 45.100 -0.051 0.000 0.676 220 G HN 0.378 nan 8.290 nan 0.000 0.528 221 T N -0.263 114.226 114.554 -0.108 0.000 2.737 221 T HA 0.179 4.530 4.350 0.001 0.000 0.265 221 T C 0.781 175.226 174.700 -0.426 0.000 1.038 221 T CA 1.384 63.265 62.100 -0.366 0.000 1.144 221 T CB -0.064 68.408 68.868 -0.660 0.000 0.866 221 T HN 0.320 nan 8.240 nan 0.000 0.434 222 F N 0.346 120.330 119.950 0.058 0.000 2.480 222 F HA 0.625 5.152 4.527 0.001 0.000 0.329 222 F C -0.339 175.499 175.800 0.062 0.000 1.091 222 F CA -1.654 56.408 58.000 0.104 0.000 0.972 222 F CB 1.296 40.429 39.000 0.222 0.000 1.150 222 F HN -0.109 nan 8.300 nan 0.000 0.467 223 L N 3.189 124.496 121.223 0.140 0.000 2.316 223 L HA 0.825 5.165 4.340 0.001 0.000 0.280 223 L C -0.543 176.406 176.870 0.133 0.000 1.006 223 L CA -0.388 54.349 54.840 -0.173 0.000 0.836 223 L CB 0.705 42.323 42.059 -0.734 0.000 1.221 223 L HN 0.689 nan 8.230 nan 0.000 0.418 224 A N 4.884 127.888 122.820 0.307 0.000 2.306 224 A HA 0.731 5.051 4.320 0.001 0.000 0.314 224 A C -1.335 176.397 177.584 0.247 0.000 1.164 224 A CA -0.276 51.870 52.037 0.181 0.000 0.822 224 A CB 0.503 19.666 19.000 0.271 0.000 1.130 224 A HN 0.859 nan 8.150 nan 0.000 0.496 225 Y N -1.138 119.022 120.300 -0.234 0.000 2.597 225 Y HA 0.766 5.317 4.550 0.001 0.000 0.340 225 Y C -0.402 175.402 175.900 -0.159 0.000 1.097 225 Y CA -1.023 57.037 58.100 -0.066 0.000 1.037 225 Y CB 0.999 39.387 38.460 -0.120 0.000 1.305 225 Y HN 0.907 nan 8.280 nan 0.000 0.463 226 A N 2.524 125.454 122.820 0.184 0.000 2.324 226 A HA 0.609 4.930 4.320 0.001 0.000 0.330 226 A C -1.141 176.323 177.584 -0.200 0.000 1.165 226 A CA -0.845 51.125 52.037 -0.111 0.000 0.813 226 A CB 1.576 20.505 19.000 -0.118 0.000 1.197 226 A HN 0.819 nan 8.150 nan 0.000 0.484 227 Q N 1.457 121.084 119.800 -0.287 0.000 2.316 227 Q HA 0.623 4.964 4.340 0.001 0.000 0.264 227 Q C -1.974 173.778 176.000 -0.413 0.000 0.987 227 Q CA -0.370 55.361 55.803 -0.119 0.000 0.852 227 Q CB 0.941 29.824 28.738 0.241 0.000 1.287 227 Q HN 0.596 nan 8.270 nan 0.000 0.448 228 F N 2.402 122.425 119.950 0.122 0.000 2.482 228 F HA 0.396 4.924 4.527 0.001 0.000 0.331 228 F C 0.326 176.242 175.800 0.192 0.000 1.115 228 F CA -0.962 57.076 58.000 0.062 0.000 0.955 228 F CB 1.442 40.381 39.000 -0.101 0.000 1.136 228 F HN 0.439 nan 8.300 nan 0.000 0.452 229 N N 1.857 120.738 118.700 0.302 0.000 2.417 229 N HA 0.236 4.976 4.740 0.001 0.000 0.274 229 N C -0.889 174.766 175.510 0.241 0.000 0.987 229 N CA -0.286 52.911 53.050 0.244 0.000 0.912 229 N CB 1.291 39.870 38.487 0.154 0.000 1.177 229 N HN 0.596 nan 8.380 nan 0.000 0.490 230 D N 1.175 121.733 120.400 0.263 0.000 2.501 230 D HA 0.150 4.790 4.640 0.001 0.000 0.224 230 D C 1.106 177.501 176.300 0.158 0.000 1.202 230 D CA 0.088 54.223 54.000 0.225 0.000 0.829 230 D CB 0.627 41.612 40.800 0.309 0.000 1.023 230 D HN 0.465 nan 8.370 nan 0.000 0.499 231 T N 0.174 114.804 114.554 0.127 0.000 2.653 231 T HA -0.207 4.144 4.350 0.001 0.000 0.268 231 T C 1.511 176.253 174.700 0.071 0.000 1.035 231 T CA 1.323 63.475 62.100 0.087 0.000 1.154 231 T CB -0.039 68.871 68.868 0.070 0.000 0.862 231 T HN 0.294 nan 8.240 nan 0.000 0.441 232 E N 0.313 120.555 120.200 0.070 0.000 2.474 232 E HA 0.100 4.451 4.350 0.001 0.000 0.194 232 E C -0.053 176.582 176.600 0.058 0.000 1.041 232 E CA -0.185 56.248 56.400 0.054 0.000 0.874 232 E CB 0.367 30.094 29.700 0.045 0.000 0.914 232 E HN 0.237 nan 8.360 nan 0.000 0.498 233 V N 4.061 124.020 119.914 0.076 0.000 2.479 233 V HA 0.053 4.173 4.120 0.001 0.000 0.281 233 V C -2.055 174.079 176.094 0.066 0.000 1.031 233 V CA -1.298 61.048 62.300 0.077 0.000 1.038 233 V CB 0.062 31.944 31.823 0.097 0.000 0.981 233 V HN 0.023 nan 8.190 nan 0.000 0.478 234 P HA 0.237 nan 4.420 nan 0.000 0.269 234 P C -0.683 176.639 177.300 0.036 0.000 1.215 234 P CA -0.221 62.903 63.100 0.040 0.000 0.780 234 P CB 0.480 32.203 31.700 0.039 0.000 0.898 235 L N 2.562 123.786 121.223 0.003 0.000 2.289 235 L HA 0.404 4.744 4.340 0.001 0.000 0.285 235 L C 0.522 177.333 176.870 -0.097 0.000 1.049 235 L CA -0.947 53.876 54.840 -0.028 0.000 0.804 235 L CB 0.831 42.870 42.059 -0.034 0.000 1.195 235 L HN 0.298 nan 8.230 nan 0.000 0.428 236 I N 2.958 123.424 120.570 -0.172 0.000 2.529 236 I HA 0.151 4.321 4.170 0.001 0.000 0.284 236 I C -0.205 175.744 176.117 -0.280 0.000 1.082 236 I CA 0.504 61.597 61.300 -0.345 0.000 1.406 236 I CB 0.510 38.039 38.000 -0.786 0.000 1.405 236 I HN 0.593 nan 8.210 nan 0.000 0.548 237 E N 7.335 127.389 120.200 -0.243 0.000 2.256 237 E HA 0.486 4.836 4.350 0.001 0.000 0.268 237 E C -1.779 174.739 176.600 -0.138 0.000 0.877 237 E CA -0.605 55.652 56.400 -0.237 0.000 0.757 237 E CB 1.996 31.596 29.700 -0.168 0.000 1.183 237 E HN 0.561 nan 8.360 nan 0.000 0.418 238 Y N -1.747 118.463 120.300 -0.150 0.000 2.609 238 Y HA 0.542 5.092 4.550 0.001 0.000 0.336 238 Y C -0.768 175.053 175.900 -0.132 0.000 1.129 238 Y CA -1.308 56.711 58.100 -0.135 0.000 1.040 238 Y CB 0.963 39.350 38.460 -0.121 0.000 1.310 238 Y HN 0.184 nan 8.280 nan 0.000 0.460 239 S N 2.298 117.980 115.700 -0.030 0.000 2.505 239 S HA 0.336 4.807 4.470 0.001 0.000 0.276 239 S C -1.238 173.170 174.600 -0.320 0.000 1.274 239 S CA -0.359 57.670 58.200 -0.286 0.000 1.053 239 S CB 0.039 62.923 63.200 -0.527 0.000 0.919 239 S HN 0.514 nan 8.310 nan 0.000 0.490 240 F N 3.299 123.029 119.950 -0.365 0.000 2.388 240 F HA 0.394 4.921 4.527 0.001 0.000 0.358 240 F C 0.137 175.762 175.800 -0.291 0.000 1.122 240 F CA -0.922 56.935 58.000 -0.239 0.000 1.056 240 F CB 0.541 39.522 39.000 -0.031 0.000 1.155 240 F HN 0.660 nan 8.300 nan 0.000 0.461 241 Y N 2.644 122.780 120.300 -0.273 0.000 2.420 241 Y HA 0.051 4.602 4.550 0.001 0.000 0.292 241 Y C 1.738 177.576 175.900 -0.103 0.000 1.119 241 Y CA 1.017 59.023 58.100 -0.157 0.000 1.229 241 Y CB -0.613 37.734 38.460 -0.188 0.000 1.026 241 Y HN 0.720 nan 8.280 nan 0.000 0.554 242 S N -0.182 115.442 115.700 -0.126 0.000 3.513 242 S HA -0.320 4.150 4.470 0.001 0.000 0.636 242 S C -0.160 174.483 174.600 0.070 0.000 2.452 242 S CA 0.142 58.401 58.200 0.099 0.000 2.644 242 S CB -1.275 62.096 63.200 0.285 0.000 0.331 242 S HN 0.604 nan 8.310 nan 0.000 1.787 243 D N 0.693 121.157 120.400 0.108 0.000 2.390 243 D HA 0.195 4.836 4.640 0.001 0.000 0.236 243 D C 1.511 177.844 176.300 0.054 0.000 1.189 243 D CA 0.826 54.870 54.000 0.073 0.000 0.887 243 D CB 0.346 41.193 40.800 0.079 0.000 1.198 243 D HN 0.492 nan 8.370 nan 0.000 0.444 244 E N 0.172 120.392 120.200 0.033 0.000 2.147 244 E HA -0.253 4.097 4.350 0.001 0.000 0.199 244 E C 1.810 178.423 176.600 0.022 0.000 1.005 244 E CA 1.510 57.920 56.400 0.017 0.000 0.810 244 E CB 0.051 29.756 29.700 0.008 0.000 0.736 244 E HN 0.554 nan 8.360 nan 0.000 0.460 245 S N 0.520 116.240 115.700 0.033 0.000 2.419 245 S HA -0.105 4.366 4.470 0.001 0.000 0.233 245 S C 1.187 175.814 174.600 0.045 0.000 1.016 245 S CA 0.262 58.483 58.200 0.035 0.000 0.974 245 S CB -0.151 63.073 63.200 0.040 0.000 0.786 245 S HN 0.205 nan 8.310 nan 0.000 0.492 246 L N 2.608 123.867 121.223 0.061 0.000 2.500 246 L HA 0.069 4.409 4.340 0.001 0.000 0.272 246 L C 1.632 178.541 176.870 0.065 0.000 1.149 246 L CA 0.205 55.094 54.840 0.082 0.000 0.897 246 L CB 0.813 42.936 42.059 0.107 0.000 1.178 246 L HN 0.417 nan 8.230 nan 0.000 0.473 247 Q N 4.023 123.868 119.800 0.075 0.000 2.083 247 Q HA -0.088 4.253 4.340 0.001 0.000 0.198 247 Q C -0.583 175.346 176.000 -0.117 0.000 0.969 247 Q CA 1.300 57.097 55.803 -0.010 0.000 0.838 247 Q CB 0.237 28.998 28.738 0.039 0.000 0.900 247 Q HN 0.578 nan 8.270 nan 0.000 0.436 248 Y N 0.594 120.914 120.300 0.033 0.000 2.335 248 Y HA 0.379 4.930 4.550 0.001 0.000 0.338 248 Y C -2.085 173.840 175.900 0.040 0.000 0.977 248 Y CA -3.015 55.104 58.100 0.031 0.000 1.114 248 Y CB 1.282 39.752 38.460 0.015 0.000 1.182 248 Y HN 0.125 nan 8.280 nan 0.000 0.463 249 P HA 0.082 nan 4.420 nan 0.000 0.268 249 P C -0.998 176.336 177.300 0.056 0.000 1.204 249 P CA -0.549 62.604 63.100 0.089 0.000 0.768 249 P CB 0.492 32.216 31.700 0.039 0.000 0.842 250 K N 0.474 120.899 120.400 0.041 0.000 2.144 250 K HA 0.495 4.815 4.320 0.001 0.000 0.270 250 K C -0.658 175.915 176.600 -0.047 0.000 1.005 250 K CA -0.598 55.700 56.287 0.018 0.000 0.932 250 K CB 0.328 32.854 32.500 0.043 0.000 1.021 250 K HN 0.188 nan 8.250 nan 0.000 0.462 251 T N 2.238 116.746 114.554 -0.078 0.000 2.733 251 T HA 0.184 4.534 4.350 0.001 0.000 0.294 251 T C -0.146 174.435 174.700 -0.198 0.000 0.956 251 T CA -0.772 61.242 62.100 -0.144 0.000 0.987 251 T CB 0.844 69.639 68.868 -0.122 0.000 0.920 251 T HN 0.377 nan 8.240 nan 0.000 0.470 252 V N 5.375 125.079 119.914 -0.350 0.000 2.614 252 V HA 0.340 4.460 4.120 0.001 0.000 0.291 252 V C 0.582 176.420 176.094 -0.426 0.000 1.049 252 V CA -0.270 61.770 62.300 -0.434 0.000 1.038 252 V CB 0.597 31.984 31.823 -0.727 0.000 0.980 252 V HN 0.721 nan 8.190 nan 0.000 0.481 253 R N 4.962 125.328 120.500 -0.223 0.000 2.476 253 R HA 0.696 5.037 4.340 0.001 0.000 0.305 253 R C -1.394 174.883 176.300 -0.038 0.000 0.965 253 R CA -0.513 55.498 56.100 -0.149 0.000 0.867 253 R CB 1.857 32.102 30.300 -0.091 0.000 1.176 253 R HN 0.610 nan 8.270 nan 0.000 0.447 254 I N 3.390 123.930 120.570 -0.050 0.000 2.498 254 I HA 0.346 4.517 4.170 0.001 0.000 0.290 254 I C -2.352 173.790 176.117 0.042 0.000 1.032 254 I CA -2.724 58.604 61.300 0.046 0.000 1.073 254 I CB 2.531 40.501 38.000 -0.051 0.000 1.251 254 I HN 0.265 nan 8.210 nan 0.000 0.426 255 P HA 0.049 nan 4.420 nan 0.000 0.268 255 P C -1.422 175.944 177.300 0.111 0.000 1.282 255 P CA 0.212 63.387 63.100 0.124 0.000 0.880 255 P CB -0.204 31.607 31.700 0.186 0.000 0.971 256 Y N 6.750 126.997 120.300 -0.087 0.000 2.327 256 Y HA 0.421 4.972 4.550 0.001 0.000 0.325 256 Y C -2.604 173.247 175.900 -0.081 0.000 0.999 256 Y CA -3.148 54.851 58.100 -0.168 0.000 1.195 256 Y CB 1.759 40.007 38.460 -0.354 0.000 1.132 256 Y HN 0.261 nan 8.280 nan 0.000 0.455 257 P HA 0.224 nan 4.420 nan 0.000 0.284 257 P C -0.903 176.421 177.300 0.040 0.000 1.343 257 P CA -0.132 62.976 63.100 0.014 0.000 0.826 257 P CB 1.056 32.747 31.700 -0.016 0.000 0.956 258 K N 2.007 122.530 120.400 0.206 0.000 2.117 258 K HA 0.508 4.828 4.320 0.001 0.000 0.240 258 K C 0.576 177.275 176.600 0.165 0.000 1.031 258 K CA -0.777 55.659 56.287 0.247 0.000 0.909 258 K CB 0.474 33.140 32.500 0.277 0.000 1.097 258 K HN 0.402 nan 8.250 nan 0.000 0.492 259 A N 0.716 123.659 122.820 0.205 0.000 2.553 259 A HA 0.284 4.604 4.320 0.001 0.000 0.258 259 A C 1.144 178.766 177.584 0.063 0.000 1.069 259 A CA 0.956 53.096 52.037 0.173 0.000 0.767 259 A CB -1.384 17.784 19.000 0.281 0.000 0.997 259 A HN 0.886 nan 8.150 nan 0.000 0.512 260 G N 1.017 109.847 108.800 0.049 0.000 2.179 260 G HA2 0.111 4.072 3.960 0.001 0.000 0.260 260 G HA3 0.111 4.072 3.960 0.001 0.000 0.260 260 G C 0.642 175.554 174.900 0.018 0.000 0.977 260 G CA 0.645 45.750 45.100 0.008 0.000 0.641 260 G HN 2.140 nan 8.290 nan 0.000 0.533 261 A N -0.311 122.535 122.820 0.043 0.000 2.280 261 A HA 0.691 5.011 4.320 0.001 0.000 0.268 261 A C 0.515 178.123 177.584 0.040 0.000 1.111 261 A CA 0.392 52.456 52.037 0.044 0.000 0.814 261 A CB 0.321 19.361 19.000 0.066 0.000 1.093 261 A HN 0.577 nan 8.150 nan 0.000 0.498 262 E N 0.622 120.844 120.200 0.038 0.000 2.366 262 E HA 0.139 4.489 4.350 0.001 0.000 0.266 262 E C -0.379 176.252 176.600 0.052 0.000 1.015 262 E CA 0.296 56.718 56.400 0.037 0.000 0.906 262 E CB 0.088 29.810 29.700 0.036 0.000 0.979 262 E HN 0.547 nan 8.360 nan 0.000 0.443 263 N N 4.026 122.757 118.700 0.052 0.000 2.476 263 N HA 0.390 5.131 4.740 0.001 0.000 0.275 263 N C -2.487 173.087 175.510 0.106 0.000 1.190 263 N CA -1.786 51.314 53.050 0.084 0.000 0.977 263 N CB 0.584 39.126 38.487 0.092 0.000 1.200 263 N HN 0.339 nan 8.380 nan 0.000 0.515 264 P HA 0.057 nan 4.420 nan 0.000 0.269 264 P C -0.395 177.026 177.300 0.202 0.000 1.209 264 P CA -0.072 63.154 63.100 0.211 0.000 0.776 264 P CB 0.199 32.076 31.700 0.295 0.000 0.876 265 T N -0.748 113.897 114.554 0.152 0.000 2.927 265 T HA 0.563 4.913 4.350 0.001 0.000 0.281 265 T C -0.191 174.578 174.700 0.114 0.000 0.998 265 T CA -0.823 61.324 62.100 0.078 0.000 1.019 265 T CB 1.469 70.356 68.868 0.033 0.000 1.061 265 T HN 0.321 nan 8.240 nan 0.000 0.518 266 V N 0.492 120.432 119.914 0.044 0.000 2.841 266 V HA 0.681 4.802 4.120 0.001 0.000 0.310 266 V C -1.476 174.612 176.094 -0.010 0.000 1.090 266 V CA -0.863 61.418 62.300 -0.031 0.000 0.930 266 V CB 2.025 33.850 31.823 0.004 0.000 1.014 266 V HN 1.020 nan 8.190 nan 0.000 0.425 267 K N 5.019 125.340 120.400 -0.130 0.000 2.375 267 K HA 0.567 4.888 4.320 0.001 0.000 0.249 267 K C -1.801 174.604 176.600 -0.325 0.000 0.942 267 K CA -0.494 55.662 56.287 -0.218 0.000 0.806 267 K CB 2.795 35.141 32.500 -0.256 0.000 1.227 267 K HN 0.569 nan 8.250 nan 0.000 0.430 268 F N 2.600 122.190 119.950 -0.601 0.000 2.482 268 F HA 0.538 5.065 4.527 0.001 0.000 0.331 268 F C -1.399 173.864 175.800 -0.895 0.000 1.115 268 F CA -0.695 56.965 58.000 -0.565 0.000 0.955 268 F CB 0.824 39.668 39.000 -0.260 0.000 1.136 268 F HN 0.377 nan 8.300 nan 0.000 0.452 269 F N 4.324 123.583 119.950 -1.152 0.000 2.563 269 F HA 0.673 5.200 4.527 0.001 0.000 0.316 269 F C -0.909 174.390 175.800 -0.835 0.000 1.076 269 F CA -1.218 56.255 58.000 -0.879 0.000 0.921 269 F CB 2.096 40.472 39.000 -1.041 0.000 1.209 269 F HN 0.053 nan 8.300 nan 0.000 0.462 270 V N 3.500 123.313 119.914 -0.167 0.000 2.376 270 V HA 0.388 4.508 4.120 0.001 0.000 0.287 270 V C -0.607 175.632 176.094 0.243 0.000 1.015 270 V CA -0.801 61.459 62.300 -0.066 0.000 0.834 270 V CB 1.439 33.010 31.823 -0.420 0.000 1.001 270 V HN 0.518 nan 8.190 nan 0.000 0.428 271 V N 3.624 123.709 119.914 0.285 0.000 2.432 271 V HA 0.283 4.404 4.120 0.001 0.000 0.275 271 V C 0.213 176.555 176.094 0.413 0.000 1.043 271 V CA -0.428 62.053 62.300 0.302 0.000 0.925 271 V CB 1.644 33.574 31.823 0.179 0.000 0.985 271 V HN 0.835 nan 8.190 nan 0.000 0.466 272 D N 3.820 124.479 120.400 0.432 0.000 2.344 272 D HA 0.059 4.700 4.640 0.001 0.000 0.253 272 D C 1.417 177.784 176.300 0.112 0.000 1.255 272 D CA 0.192 54.376 54.000 0.307 0.000 0.894 272 D CB 1.605 42.613 40.800 0.347 0.000 1.067 272 D HN 0.762 nan 8.370 nan 0.000 0.492 273 T N 1.271 115.846 114.554 0.036 0.000 3.085 273 T HA -0.022 4.328 4.350 0.001 0.000 0.263 273 T C 1.722 176.440 174.700 0.030 0.000 1.127 273 T CA 0.376 62.512 62.100 0.060 0.000 1.103 273 T CB 0.070 69.036 68.868 0.163 0.000 0.921 273 T HN 0.300 nan 8.240 nan 0.000 0.510 274 R N 1.335 121.820 120.500 -0.026 0.000 2.127 274 R HA -0.053 4.288 4.340 0.001 0.000 0.238 274 R C 2.490 178.798 176.300 0.013 0.000 1.134 274 R CA 1.825 57.910 56.100 -0.025 0.000 0.975 274 R CB -0.523 29.741 30.300 -0.061 0.000 0.865 274 R HN 0.679 nan 8.270 nan 0.000 0.447 275 T N -2.019 112.555 114.554 0.033 0.000 3.122 275 T HA 0.222 4.573 4.350 0.001 0.000 0.250 275 T C 0.642 175.366 174.700 0.039 0.000 1.067 275 T CA -0.223 61.901 62.100 0.041 0.000 0.966 275 T CB 0.038 68.939 68.868 0.055 0.000 1.002 275 T HN -0.024 nan 8.240 nan 0.000 0.542 276 L N 2.379 123.626 121.223 0.040 0.000 2.530 276 L HA 0.393 4.734 4.340 0.001 0.000 0.273 276 L C 0.225 177.119 176.870 0.039 0.000 1.141 276 L CA -0.032 54.831 54.840 0.039 0.000 0.905 276 L CB 0.289 42.374 42.059 0.044 0.000 1.202 276 L HN 0.223 nan 8.230 nan 0.000 0.473 277 S N 3.371 119.094 115.700 0.038 0.000 2.537 277 S HA 0.399 4.869 4.470 0.001 0.000 0.270 277 S C -1.924 172.702 174.600 0.044 0.000 1.142 277 S CA -0.903 57.321 58.200 0.039 0.000 0.870 277 S CB 2.130 65.351 63.200 0.035 0.000 1.112 277 S HN 0.246 nan 8.310 nan 0.000 0.466 278 P HA -0.076 nan 4.420 nan 0.000 0.217 278 P C 0.289 177.622 177.300 0.055 0.000 1.148 278 P CA 1.286 64.418 63.100 0.052 0.000 0.834 278 P CB 0.102 31.829 31.700 0.045 0.000 0.783 279 N N -1.493 117.234 118.700 0.045 0.000 2.275 279 N HA 0.297 5.038 4.740 0.001 0.000 0.236 279 N C -0.158 175.372 175.510 0.035 0.000 1.154 279 N CA -0.021 53.054 53.050 0.042 0.000 0.866 279 N CB 0.482 38.990 38.487 0.035 0.000 1.093 279 N HN 0.043 nan 8.380 nan 0.000 0.515 280 A N 0.121 122.962 122.820 0.034 0.000 2.374 280 A HA 0.662 4.983 4.320 0.001 0.000 0.317 280 A C 0.418 178.010 177.584 0.014 0.000 1.094 280 A CA -0.582 51.470 52.037 0.024 0.000 0.765 280 A CB 0.950 19.966 19.000 0.027 0.000 1.268 280 A HN 0.162 nan 8.150 nan 0.000 0.438 281 S N 0.369 116.066 115.700 -0.005 0.000 2.600 281 S HA 0.435 4.905 4.470 0.001 0.000 0.265 281 S C 0.113 174.698 174.600 -0.025 0.000 1.325 281 S CA -0.497 57.679 58.200 -0.039 0.000 1.002 281 S CB 0.651 63.819 63.200 -0.054 0.000 0.921 281 S HN 0.878 nan 8.310 nan 0.000 0.554 282 V N 2.125 122.003 119.914 -0.060 0.000 2.488 282 V HA 0.229 4.349 4.120 0.001 0.000 0.277 282 V C 0.534 176.634 176.094 0.009 0.000 1.046 282 V CA -0.299 61.981 62.300 -0.033 0.000 0.986 282 V CB 0.715 32.489 31.823 -0.083 0.000 0.989 282 V HN 1.000 nan 8.190 nan 0.000 0.475 283 T N 5.038 119.633 114.554 0.068 0.000 2.727 283 T HA 0.492 4.843 4.350 0.001 0.000 0.298 283 T C 0.088 174.907 174.700 0.199 0.000 0.942 283 T CA -0.195 61.984 62.100 0.132 0.000 0.997 283 T CB 0.520 69.482 68.868 0.157 0.000 0.917 283 T HN 0.944 nan 8.240 nan 0.000 0.487 284 S N 3.226 119.054 115.700 0.214 0.000 2.556 284 S HA 0.685 5.155 4.470 0.001 0.000 0.271 284 S C -1.700 173.123 174.600 0.371 0.000 1.135 284 S CA -0.989 57.379 58.200 0.280 0.000 0.858 284 S CB 1.599 64.903 63.200 0.174 0.000 1.114 284 S HN 0.576 nan 8.310 nan 0.000 0.468 285 Y N 1.277 121.744 120.300 0.277 0.000 2.391 285 Y HA 0.494 5.045 4.550 0.001 0.000 0.341 285 Y C -0.356 175.651 175.900 0.179 0.000 0.965 285 Y CA -0.483 57.774 58.100 0.261 0.000 1.067 285 Y CB 1.917 40.608 38.460 0.385 0.000 1.199 285 Y HN 0.902 nan 8.280 nan 0.000 0.450 286 Q N 6.557 126.105 119.800 -0.420 0.000 2.314 286 Q HA 0.426 4.767 4.340 0.001 0.000 0.257 286 Q C -1.106 174.571 176.000 -0.538 0.000 0.975 286 Q CA -0.378 55.111 55.803 -0.523 0.000 0.933 286 Q CB 0.591 29.039 28.738 -0.483 0.000 1.195 286 Q HN 0.723 nan 8.270 nan 0.000 0.426 287 I N 5.253 125.686 120.570 -0.229 0.000 2.312 287 I HA 0.163 4.333 4.170 0.001 0.000 0.291 287 I C 0.275 176.340 176.117 -0.087 0.000 1.031 287 I CA -0.819 60.467 61.300 -0.023 0.000 1.293 287 I CB 0.954 39.044 38.000 0.149 0.000 1.403 287 I HN 0.372 nan 8.210 nan 0.000 0.484 288 V N 5.597 125.411 119.914 -0.166 0.000 2.686 288 V HA 0.523 4.643 4.120 0.001 0.000 0.295 288 V C -2.202 173.606 176.094 -0.477 0.000 1.057 288 V CA -1.862 60.258 62.300 -0.300 0.000 1.012 288 V CB 0.493 32.155 31.823 -0.268 0.000 1.006 288 V HN 0.514 nan 8.190 nan 0.000 0.477 289 P HA 0.325 nan 4.420 nan 0.000 0.272 289 P C -2.730 174.116 177.300 -0.757 0.000 1.230 289 P CA -1.384 60.822 63.100 -1.491 0.000 0.788 289 P CB -0.455 29.958 31.700 -2.144 0.000 0.949 290 P HA -0.055 nan 4.420 nan 0.000 0.267 290 P C 0.893 178.011 177.300 -0.303 0.000 1.201 290 P CA 0.331 63.252 63.100 -0.299 0.000 0.775 290 P CB 0.102 31.705 31.700 -0.162 0.000 0.854 291 A N 2.562 125.255 122.820 -0.210 0.000 1.948 291 A HA -0.222 4.098 4.320 0.001 0.000 0.220 291 A C 2.036 179.499 177.584 -0.203 0.000 1.177 291 A CA 2.395 54.316 52.037 -0.194 0.000 0.636 291 A CB -1.720 17.200 19.000 -0.134 0.000 0.815 291 A HN 0.628 nan 8.150 nan 0.000 0.449 292 S N -1.403 114.193 115.700 -0.174 0.000 2.547 292 S HA 0.048 4.519 4.470 0.001 0.000 0.235 292 S C 1.352 175.764 174.600 -0.312 0.000 0.980 292 S CA 1.116 59.185 58.200 -0.218 0.000 0.941 292 S CB 0.030 63.155 63.200 -0.126 0.000 0.763 292 S HN 0.244 nan 8.310 nan 0.000 0.532 293 V N 0.415 120.156 119.914 -0.289 0.000 3.212 293 V HA 0.308 4.429 4.120 0.001 0.000 0.244 293 V C 1.982 177.814 176.094 -0.436 0.000 1.151 293 V CA 0.275 62.379 62.300 -0.326 0.000 1.119 293 V CB -0.083 31.562 31.823 -0.297 0.000 0.838 293 V HN 0.430 nan 8.190 nan 0.000 0.470 294 L N 0.707 121.650 121.223 -0.466 0.000 2.353 294 L HA -0.123 4.218 4.340 0.001 0.000 0.220 294 L C 2.219 178.962 176.870 -0.211 0.000 1.133 294 L CA 1.549 56.148 54.840 -0.401 0.000 0.798 294 L CB -0.200 41.651 42.059 -0.346 0.000 0.922 294 L HN 0.480 nan 8.230 nan 0.000 0.445 295 I N -3.165 117.290 120.570 -0.192 0.000 2.916 295 I HA 0.108 4.279 4.170 0.001 0.000 0.267 295 I C 1.055 177.113 176.117 -0.098 0.000 1.263 295 I CA 0.590 61.809 61.300 -0.136 0.000 1.471 295 I CB -0.565 37.348 38.000 -0.145 0.000 1.089 295 I HN 0.075 nan 8.210 nan 0.000 0.468 296 G N -0.142 108.610 108.800 -0.080 0.000 2.749 296 G HA2 0.293 4.254 3.960 0.001 0.000 0.300 296 G HA3 0.293 4.254 3.960 0.001 0.000 0.300 296 G C -1.746 173.173 174.900 0.031 0.000 1.352 296 G CA -0.623 44.453 45.100 -0.041 0.000 0.789 296 G HN -0.015 nan 8.290 nan 0.000 0.509 297 D N 1.249 121.633 120.400 -0.026 0.000 2.455 297 D HA 0.367 5.007 4.640 0.001 0.000 0.241 297 D C 0.304 176.531 176.300 -0.122 0.000 1.138 297 D CA 0.700 54.642 54.000 -0.096 0.000 0.877 297 D CB 0.522 41.229 40.800 -0.155 0.000 1.187 297 D HN 0.537 nan 8.370 nan 0.000 0.451 298 H N -0.674 118.229 119.070 -0.278 0.000 2.966 298 H HA 0.457 5.013 4.556 0.001 0.000 0.330 298 H C -1.372 173.772 175.328 -0.306 0.000 1.292 298 H CA -0.817 55.069 56.048 -0.271 0.000 1.127 298 H CB 0.412 30.149 29.762 -0.042 0.000 1.863 298 H HN 0.255 nan 8.280 nan 0.000 0.543 299 Y N 0.087 120.604 120.300 0.361 0.000 2.499 299 Y HA 0.374 4.924 4.550 0.001 0.000 0.347 299 Y C -0.264 175.943 175.900 0.511 0.000 0.987 299 Y CA -1.152 57.170 58.100 0.371 0.000 1.044 299 Y CB 1.957 40.492 38.460 0.124 0.000 1.245 299 Y HN 0.491 nan 8.280 nan 0.000 0.461 300 L N 3.478 125.081 121.223 0.634 0.000 2.281 300 L HA 0.377 4.717 4.340 0.001 0.000 0.285 300 L C 0.515 177.618 176.870 0.390 0.000 1.074 300 L CA -0.090 54.799 54.840 0.082 0.000 0.817 300 L CB 0.380 42.322 42.059 -0.194 0.000 1.168 300 L HN 0.995 nan 8.230 nan 0.000 0.434 301 C N 1.950 121.341 119.300 0.151 0.000 3.336 301 C HA 0.841 5.302 4.460 0.001 0.000 0.291 301 C C 0.631 175.651 174.990 0.050 0.000 1.363 301 C CA 0.070 59.245 59.018 0.263 0.000 1.737 301 C CB -0.807 27.034 27.740 0.168 0.000 2.274 301 C HN 0.935 nan 8.230 nan 0.000 0.663 302 G N 0.243 108.907 108.800 -0.226 0.000 2.733 302 G HA2 0.555 4.516 3.960 0.001 0.000 0.297 302 G HA3 0.555 4.516 3.960 0.001 0.000 0.297 302 G C -1.873 172.618 174.900 -0.682 0.000 1.452 302 G CA -0.143 44.703 45.100 -0.422 0.000 0.940 302 G HN 0.419 nan 8.290 nan 0.000 0.547 303 V N 0.926 120.349 119.914 -0.819 0.000 2.577 303 V HA 0.787 4.908 4.120 0.001 0.000 0.303 303 V C -0.345 175.304 176.094 -0.741 0.000 1.042 303 V CA -0.656 61.000 62.300 -1.072 0.000 0.872 303 V CB 2.081 32.747 31.823 -1.928 0.000 0.998 303 V HN 0.863 nan 8.190 nan 0.000 0.423 304 T N 3.396 117.586 114.554 -0.606 0.000 2.949 304 T HA 0.357 4.708 4.350 0.001 0.000 0.300 304 T C -0.908 173.570 174.700 -0.370 0.000 0.988 304 T CA -0.350 61.545 62.100 -0.341 0.000 0.993 304 T CB 0.847 69.594 68.868 -0.202 0.000 0.984 304 T HN 0.567 nan 8.240 nan 0.000 0.442 305 W N 3.325 124.538 121.300 -0.144 0.000 2.356 305 W HA 0.332 4.992 4.660 0.001 0.000 0.311 305 W C 1.094 177.535 176.519 -0.130 0.000 1.328 305 W CA -0.420 56.869 57.345 -0.094 0.000 1.251 305 W CB 0.635 30.130 29.460 0.058 0.000 1.280 305 W HN 0.484 nan 8.180 nan 0.000 0.524 306 V N 2.150 122.087 119.914 0.038 0.000 2.423 306 V HA 0.013 4.134 4.120 0.001 0.000 0.233 306 V C 1.124 177.296 176.094 0.129 0.000 1.067 306 V CA 1.626 63.853 62.300 -0.120 0.000 1.073 306 V CB -0.694 30.825 31.823 -0.508 0.000 0.715 306 V HN 0.632 nan 8.190 nan 0.000 0.485 307 T N -3.611 111.070 114.554 0.211 0.000 2.718 307 T HA 0.353 4.704 4.350 0.001 0.000 0.267 307 T C 0.747 175.653 174.700 0.344 0.000 0.957 307 T CA -0.498 61.743 62.100 0.235 0.000 1.025 307 T CB 1.627 70.604 68.868 0.182 0.000 1.355 307 T HN 0.076 nan 8.240 nan 0.000 0.572 308 E N 0.645 120.995 120.200 0.250 0.000 2.204 308 E HA -0.056 4.295 4.350 0.001 0.000 0.194 308 E C 1.329 178.219 176.600 0.483 0.000 0.989 308 E CA 1.028 57.595 56.400 0.278 0.000 0.824 308 E CB 0.074 29.879 29.700 0.174 0.000 0.756 308 E HN 0.680 nan 8.360 nan 0.000 0.477 309 E N 0.184 120.607 120.200 0.371 0.000 2.501 309 E HA 0.119 4.470 4.350 0.001 0.000 0.200 309 E C 0.370 177.172 176.600 0.336 0.000 1.016 309 E CA -0.131 56.427 56.400 0.263 0.000 0.921 309 E CB 0.873 30.678 29.700 0.174 0.000 1.034 309 E HN -0.072 nan 8.360 nan 0.000 0.468 310 R N 1.317 122.115 120.500 0.497 0.000 2.510 310 R HA 0.453 4.793 4.340 0.001 0.000 0.294 310 R C -1.617 174.790 176.300 0.179 0.000 1.056 310 R CA -0.343 55.953 56.100 0.327 0.000 0.918 310 R CB 1.240 31.612 30.300 0.120 0.000 1.187 310 R HN 0.005 nan 8.270 nan 0.000 0.437 311 I N 2.311 122.841 120.570 -0.066 0.000 2.530 311 I HA 0.396 4.567 4.170 0.001 0.000 0.297 311 I C -0.965 174.849 176.117 -0.505 0.000 1.011 311 I CA -0.471 60.468 61.300 -0.602 0.000 1.107 311 I CB 2.218 39.473 38.000 -1.243 0.000 1.285 311 I HN 0.620 nan 8.210 nan 0.000 0.436 312 S N 7.447 122.781 115.700 -0.609 0.000 2.478 312 S HA 0.676 5.147 4.470 0.001 0.000 0.312 312 S C -1.072 173.187 174.600 -0.568 0.000 1.094 312 S CA -0.584 57.324 58.200 -0.486 0.000 1.081 312 S CB 0.731 63.671 63.200 -0.433 0.000 1.007 312 S HN 0.499 nan 8.310 nan 0.000 0.475 313 L N 4.062 124.982 121.223 -0.504 0.000 2.346 313 L HA 0.579 4.920 4.340 0.001 0.000 0.276 313 L C -0.117 176.429 176.870 -0.540 0.000 1.006 313 L CA -0.528 53.897 54.840 -0.692 0.000 0.817 313 L CB 2.022 43.625 42.059 -0.760 0.000 1.272 313 L HN 0.637 nan 8.230 nan 0.000 0.421 314 Q N 1.954 121.359 119.800 -0.657 0.000 2.348 314 Q HA 0.383 4.724 4.340 0.001 0.000 0.265 314 Q C -1.831 173.898 176.000 -0.452 0.000 0.998 314 Q CA -0.482 55.082 55.803 -0.399 0.000 0.831 314 Q CB 1.159 29.727 28.738 -0.283 0.000 1.251 314 Q HN 0.457 nan 8.270 nan 0.000 0.456 315 W N 3.947 125.221 121.300 -0.043 0.000 2.639 315 W HA 0.680 5.340 4.660 0.001 0.000 0.347 315 W C -0.570 176.012 176.519 0.104 0.000 1.067 315 W CA -0.701 56.670 57.345 0.043 0.000 1.218 315 W CB 1.251 30.707 29.460 -0.008 0.000 1.393 315 W HN 0.509 nan 8.180 nan 0.000 0.557 316 I N 1.487 122.316 120.570 0.433 0.000 2.656 316 I HA 0.414 4.585 4.170 0.001 0.000 0.292 316 I C -0.145 176.160 176.117 0.313 0.000 1.144 316 I CA -0.931 60.577 61.300 0.346 0.000 1.038 316 I CB 1.270 39.449 38.000 0.298 0.000 1.244 316 I HN 0.387 nan 8.210 nan 0.000 0.420 317 R N 4.657 125.302 120.500 0.242 0.000 2.774 317 R HA 0.227 4.568 4.340 0.001 0.000 0.269 317 R C 1.108 177.430 176.300 0.038 0.000 1.068 317 R CA -0.242 55.918 56.100 0.100 0.000 1.180 317 R CB 0.403 30.732 30.300 0.049 0.000 1.077 317 R HN 0.635 nan 8.270 nan 0.000 0.513 318 R N 1.286 121.717 120.500 -0.115 0.000 2.105 318 R HA -0.185 4.156 4.340 0.001 0.000 0.239 318 R C 1.823 178.158 176.300 0.059 0.000 1.135 318 R CA 1.900 57.904 56.100 -0.160 0.000 0.967 318 R CB -0.262 29.921 30.300 -0.195 0.000 0.861 318 R HN 0.753 nan 8.270 nan 0.000 0.442 319 A N 0.216 123.059 122.820 0.038 0.000 2.019 319 A HA -0.159 4.161 4.320 0.001 0.000 0.219 319 A C 0.843 178.469 177.584 0.069 0.000 1.164 319 A CA 1.357 53.422 52.037 0.047 0.000 0.644 319 A CB -0.081 18.939 19.000 0.033 0.000 0.805 319 A HN 0.601 nan 8.150 nan 0.000 0.449 320 Q N -2.087 117.784 119.800 0.119 0.000 2.503 320 Q HA -0.199 4.142 4.340 0.001 0.000 0.267 320 Q C 0.148 176.229 176.000 0.135 0.000 1.030 320 Q CA 0.683 56.568 55.803 0.137 0.000 1.041 320 Q CB -1.647 27.136 28.738 0.076 0.000 1.406 320 Q HN 0.974 nan 8.270 nan 0.000 0.524 321 N N -0.574 118.207 118.700 0.135 0.000 2.184 321 N HA 0.040 4.781 4.740 0.001 0.000 0.206 321 N C -0.667 174.934 175.510 0.153 0.000 1.151 321 N CA 0.086 53.204 53.050 0.112 0.000 0.878 321 N CB 0.447 38.978 38.487 0.074 0.000 1.014 321 N HN 0.319 nan 8.380 nan 0.000 0.512 322 Y N 0.533 120.863 120.300 0.049 0.000 2.354 322 Y HA 0.591 5.141 4.550 0.001 0.000 0.330 322 Y C -1.223 174.718 175.900 0.068 0.000 1.011 322 Y CA -1.000 57.128 58.100 0.045 0.000 1.099 322 Y CB 1.787 40.263 38.460 0.028 0.000 1.179 322 Y HN -0.018 nan 8.280 nan 0.000 0.442 323 S N 6.801 122.432 115.700 -0.114 0.000 2.536 323 S HA 0.767 5.238 4.470 0.001 0.000 0.287 323 S C -1.743 172.795 174.600 -0.104 0.000 1.101 323 S CA -0.631 57.574 58.200 0.008 0.000 0.950 323 S CB 0.986 64.196 63.200 0.018 0.000 1.056 323 S HN 0.722 nan 8.310 nan 0.000 0.481 324 I N 4.311 124.917 120.570 0.061 0.000 2.607 324 I HA 0.547 4.718 4.170 0.001 0.000 0.290 324 I C -1.551 174.617 176.117 0.085 0.000 1.129 324 I CA -0.943 60.394 61.300 0.060 0.000 1.042 324 I CB 1.442 39.531 38.000 0.149 0.000 1.242 324 I HN 0.664 nan 8.210 nan 0.000 0.421 325 I N 6.215 126.804 120.570 0.032 0.000 2.331 325 I HA 0.288 4.458 4.170 0.001 0.000 0.292 325 I C -0.895 175.257 176.117 0.059 0.000 0.998 325 I CA -0.214 61.074 61.300 -0.021 0.000 1.267 325 I CB 1.266 39.172 38.000 -0.157 0.000 1.386 325 I HN 0.471 nan 8.210 nan 0.000 0.476 326 D N 7.382 127.806 120.400 0.039 0.000 2.381 326 D HA 0.458 5.099 4.640 0.001 0.000 0.235 326 D C -0.755 175.533 176.300 -0.020 0.000 1.068 326 D CA -0.286 53.746 54.000 0.054 0.000 0.832 326 D CB 1.144 42.014 40.800 0.116 0.000 1.101 326 D HN 0.240 nan 8.370 nan 0.000 0.515 327 I N 4.029 124.617 120.570 0.029 0.000 2.307 327 I HA 0.276 4.447 4.170 0.001 0.000 0.289 327 I C -0.399 175.737 176.117 0.031 0.000 1.021 327 I CA -0.454 60.846 61.300 0.000 0.000 1.224 327 I CB 0.924 38.981 38.000 0.094 0.000 1.376 327 I HN 0.314 nan 8.210 nan 0.000 0.470 328 C N 4.361 123.677 119.300 0.026 0.000 2.329 328 C HA 0.471 4.931 4.460 0.001 0.000 0.329 328 C C -0.178 174.966 174.990 0.256 0.000 1.275 328 C CA -0.748 58.354 59.018 0.140 0.000 1.726 328 C CB 0.705 28.555 27.740 0.183 0.000 2.291 328 C HN 0.576 nan 8.230 nan 0.000 0.514 329 D N 0.741 121.236 120.400 0.159 0.000 2.168 329 D HA 0.261 4.901 4.640 0.001 0.000 0.246 329 D C -0.521 175.664 176.300 -0.191 0.000 1.050 329 D CA -0.167 53.866 54.000 0.055 0.000 0.857 329 D CB 0.752 41.553 40.800 0.002 0.000 1.169 329 D HN 0.567 nan 8.370 nan 0.000 0.453 330 Y N 1.448 121.340 120.300 -0.681 0.000 2.465 330 Y HA 0.151 4.702 4.550 0.001 0.000 0.331 330 Y C -0.091 175.464 175.900 -0.575 0.000 1.102 330 Y CA -0.246 57.141 58.100 -1.190 0.000 1.358 330 Y CB 0.606 38.213 38.460 -1.423 0.000 1.213 330 Y HN 0.214 nan 8.280 nan 0.000 0.525 331 D N 4.870 124.643 120.400 -1.045 0.000 2.359 331 D HA 0.131 4.772 4.640 0.001 0.000 0.230 331 D C 0.634 176.385 176.300 -0.915 0.000 1.118 331 D CA -0.021 53.544 54.000 -0.725 0.000 0.844 331 D CB 0.886 41.384 40.800 -0.503 0.000 1.059 331 D HN 0.752 nan 8.370 nan 0.000 0.493 332 E N 1.194 121.070 120.200 -0.539 0.000 2.204 332 E HA -0.169 4.181 4.350 0.001 0.000 0.195 332 E C 1.626 178.100 176.600 -0.211 0.000 0.990 332 E CA 1.037 57.258 56.400 -0.298 0.000 0.821 332 E CB 0.221 29.893 29.700 -0.046 0.000 0.750 332 E HN 0.548 nan 8.360 nan 0.000 0.477 333 S N -0.572 115.002 115.700 -0.210 0.000 2.446 333 S HA -0.069 4.401 4.470 0.001 0.000 0.225 333 S C 2.021 176.540 174.600 -0.136 0.000 1.016 333 S CA 1.236 59.358 58.200 -0.129 0.000 0.943 333 S CB 0.045 63.184 63.200 -0.101 0.000 0.786 333 S HN 0.293 nan 8.310 nan 0.000 0.508 334 T N -4.003 110.419 114.554 -0.221 0.000 2.978 334 T HA 0.529 4.879 4.350 0.001 0.000 0.248 334 T C 1.678 176.258 174.700 -0.201 0.000 1.018 334 T CA 0.758 62.750 62.100 -0.180 0.000 1.026 334 T CB -0.084 68.676 68.868 -0.180 0.000 1.032 334 T HN 1.218 nan 8.240 nan 0.000 0.485 335 G N 2.058 110.617 108.800 -0.401 0.000 2.176 335 G HA2 -0.250 3.711 3.960 0.001 0.000 0.253 335 G HA3 -0.250 3.711 3.960 0.001 0.000 0.253 335 G C 0.190 174.830 174.900 -0.433 0.000 0.979 335 G CA -0.027 44.877 45.100 -0.326 0.000 0.641 335 G HN 0.703 nan 8.290 nan 0.000 0.530 336 R N -1.243 118.867 120.500 -0.649 0.000 2.615 336 R HA 0.446 4.787 4.340 0.001 0.000 0.270 336 R C -0.558 175.170 176.300 -0.955 0.000 1.081 336 R CA -0.169 55.328 56.100 -1.005 0.000 1.154 336 R CB 0.460 30.349 30.300 -0.684 0.000 1.063 336 R HN 0.225 nan 8.270 nan 0.000 0.519 337 W N 2.148 122.894 121.300 -0.923 0.000 2.296 337 W HA 0.383 5.044 4.660 0.001 0.000 0.316 337 W C -0.639 175.802 176.519 -0.129 0.000 1.022 337 W CA -0.319 56.859 57.345 -0.279 0.000 1.324 337 W CB 0.595 30.038 29.460 -0.028 0.000 1.227 337 W HN 0.287 nan 8.180 nan 0.000 0.409 338 I N 3.184 123.760 120.570 0.010 0.000 2.353 338 I HA 0.288 4.458 4.170 0.001 0.000 0.293 338 I C 0.501 176.653 176.117 0.058 0.000 0.992 338 I CA 0.043 61.354 61.300 0.018 0.000 1.268 338 I CB 1.111 39.073 38.000 -0.062 0.000 1.387 338 I HN 0.199 nan 8.210 nan 0.000 0.478 339 S N 3.658 119.392 115.700 0.057 0.000 2.654 339 S HA 0.771 5.241 4.470 0.001 0.000 0.283 339 S C -0.398 174.211 174.600 0.016 0.000 1.180 339 S CA -0.747 57.477 58.200 0.039 0.000 1.021 339 S CB 1.649 64.866 63.200 0.028 0.000 1.018 339 S HN 0.705 nan 8.310 nan 0.000 0.532 340 S N -0.207 115.500 115.700 0.012 0.000 2.537 340 S HA 0.359 4.829 4.470 0.001 0.000 0.270 340 S C 0.559 175.153 174.600 -0.010 0.000 1.142 340 S CA -0.828 57.372 58.200 -0.001 0.000 0.870 340 S CB 0.720 63.921 63.200 0.001 0.000 1.112 340 S HN 0.257 nan 8.310 nan 0.000 0.466 341 V N 2.339 122.240 119.914 -0.023 0.000 2.370 341 V HA -0.233 3.888 4.120 0.001 0.000 0.252 341 V C 3.026 179.085 176.094 -0.058 0.000 1.068 341 V CA 2.728 65.005 62.300 -0.037 0.000 1.061 341 V CB -1.664 30.138 31.823 -0.035 0.000 0.656 341 V HN 1.039 nan 8.190 nan 0.000 0.455 342 A N -0.343 122.452 122.820 -0.042 0.000 1.933 342 A HA -0.180 4.141 4.320 0.001 0.000 0.218 342 A C 2.282 179.833 177.584 -0.055 0.000 1.175 342 A CA 1.479 53.487 52.037 -0.048 0.000 0.628 342 A CB -0.419 18.573 19.000 -0.014 0.000 0.814 342 A HN 0.526 nan 8.150 nan 0.000 0.444 343 R N -0.622 119.879 120.500 0.001 0.000 2.320 343 R HA 0.139 4.479 4.340 0.001 0.000 0.211 343 R C -0.123 176.229 176.300 0.085 0.000 0.931 343 R CA -0.001 56.157 56.100 0.096 0.000 1.071 343 R CB 0.094 30.465 30.300 0.118 0.000 1.025 343 R HN 0.585 nan 8.270 nan 0.000 0.495 344 Q N 0.032 119.781 119.800 -0.086 0.000 2.256 344 Q HA 0.211 4.552 4.340 0.001 0.000 0.257 344 Q C -1.230 174.607 176.000 -0.271 0.000 0.936 344 Q CA -0.368 55.399 55.803 -0.060 0.000 0.903 344 Q CB 1.508 30.223 28.738 -0.037 0.000 1.263 344 Q HN 0.190 nan 8.270 nan 0.000 0.440 345 H N 1.827 120.910 119.070 0.022 0.000 2.800 345 H HA 0.373 4.929 4.556 0.001 0.000 0.322 345 H C -0.940 174.359 175.328 -0.048 0.000 0.979 345 H CA -0.411 55.645 56.048 0.013 0.000 1.277 345 H CB 0.701 30.478 29.762 0.024 0.000 1.484 345 H HN 0.453 nan 8.280 nan 0.000 0.512 346 I N 2.010 122.585 120.570 0.008 0.000 2.472 346 I HA 0.208 4.378 4.170 0.001 0.000 0.290 346 I C 0.276 176.326 176.117 -0.112 0.000 1.016 346 I CA -0.071 61.146 61.300 -0.138 0.000 1.348 346 I CB 1.075 38.956 38.000 -0.198 0.000 1.417 346 I HN 0.580 nan 8.210 nan 0.000 0.521 347 E N 7.180 127.260 120.200 -0.201 0.000 2.265 347 E HA 0.528 4.879 4.350 0.001 0.000 0.262 347 E C -1.415 175.080 176.600 -0.174 0.000 0.889 347 E CA -0.653 55.681 56.400 -0.111 0.000 0.789 347 E CB 1.511 31.187 29.700 -0.040 0.000 1.221 347 E HN 0.578 nan 8.360 nan 0.000 0.414 348 I N 0.429 120.928 120.570 -0.119 0.000 2.797 348 I HA 0.651 4.822 4.170 0.001 0.000 0.307 348 I C -0.432 175.672 176.117 -0.022 0.000 1.033 348 I CA -0.799 60.452 61.300 -0.082 0.000 1.071 348 I CB 2.225 40.190 38.000 -0.059 0.000 1.255 348 I HN 0.247 nan 8.210 nan 0.000 0.445 349 S N 0.860 116.554 115.700 -0.009 0.000 2.519 349 S HA 0.470 4.941 4.470 0.001 0.000 0.309 349 S C 0.604 175.186 174.600 -0.031 0.000 1.100 349 S CA -0.044 58.139 58.200 -0.030 0.000 1.059 349 S CB 1.172 64.324 63.200 -0.080 0.000 1.008 349 S HN 0.888 nan 8.310 nan 0.000 0.478 350 T N 0.114 114.650 114.554 -0.030 0.000 3.051 350 T HA 0.017 4.368 4.350 0.001 0.000 0.255 350 T C 1.479 176.147 174.700 -0.052 0.000 1.085 350 T CA 0.983 63.068 62.100 -0.025 0.000 1.109 350 T CB -0.371 68.490 68.868 -0.011 0.000 0.921 350 T HN 0.664 nan 8.240 nan 0.000 0.488 351 T N -2.134 112.370 114.554 -0.083 0.000 3.054 351 T HA 0.651 5.002 4.350 0.001 0.000 0.255 351 T C 1.036 175.558 174.700 -0.297 0.000 1.035 351 T CA 0.303 62.346 62.100 -0.095 0.000 0.941 351 T CB 0.452 69.323 68.868 0.005 0.000 1.026 351 T HN 0.662 nan 8.240 nan 0.000 0.533 352 G N 0.848 109.365 108.800 -0.471 0.000 2.601 352 G HA2 0.391 4.351 3.960 0.001 0.000 0.080 352 G HA3 0.391 4.351 3.960 0.001 0.000 0.080 352 G C -1.746 172.911 174.900 -0.404 0.000 1.046 352 G CA -0.386 44.301 45.100 -0.688 0.000 1.143 352 G HN 0.543 nan 8.290 nan 0.000 0.507 353 W N 0.238 121.235 121.300 -0.505 0.000 2.576 353 W HA 0.814 5.475 4.660 0.001 0.000 0.360 353 W C -0.350 176.125 176.519 -0.073 0.000 1.109 353 W CA -1.432 55.783 57.345 -0.217 0.000 1.237 353 W CB 1.200 30.533 29.460 -0.212 0.000 1.369 353 W HN 0.305 nan 8.180 nan 0.000 0.609 354 V N 3.679 123.697 119.914 0.173 0.000 2.498 354 V HA 0.589 4.710 4.120 0.001 0.000 0.279 354 V C 0.994 177.193 176.094 0.176 0.000 1.048 354 V CA 0.905 63.271 62.300 0.110 0.000 0.967 354 V CB 0.088 31.963 31.823 0.087 0.000 0.988 354 V HN 1.266 nan 8.190 nan 0.000 0.473 355 G N 5.923 114.787 108.800 0.106 0.000 2.601 355 G HA2 -0.245 3.715 3.960 0.001 0.000 0.252 355 G HA3 -0.245 3.715 3.960 0.001 0.000 0.252 355 G C 0.536 175.533 174.900 0.162 0.000 1.294 355 G CA 0.612 45.780 45.100 0.113 0.000 0.912 355 G HN 0.624 nan 8.290 nan 0.000 0.574 356 R N -1.580 119.005 120.500 0.140 0.000 2.009 356 R HA 0.364 4.705 4.340 0.001 0.000 0.213 356 R C 2.426 178.705 176.300 -0.036 0.000 1.297 356 R CA 1.681 57.815 56.100 0.057 0.000 1.008 356 R CB -0.287 30.044 30.300 0.052 0.000 0.852 356 R HN 0.407 nan 8.270 nan 0.000 0.475 357 F N 0.139 120.206 119.950 0.195 0.000 2.694 357 F HA 0.229 4.756 4.527 0.001 0.000 0.292 357 F C 0.299 176.147 175.800 0.079 0.000 1.121 357 F CA -0.327 57.755 58.000 0.136 0.000 1.352 357 F CB 0.591 39.688 39.000 0.162 0.000 1.107 357 F HN -0.009 nan 8.300 nan 0.000 0.597 358 R N -0.921 119.736 120.500 0.261 0.000 2.710 358 R HA 0.462 4.803 4.340 0.001 0.000 0.270 358 R C -3.223 173.166 176.300 0.148 0.000 1.021 358 R CA -2.198 54.003 56.100 0.168 0.000 0.889 358 R CB -0.110 30.278 30.300 0.147 0.000 1.243 358 R HN -0.369 nan 8.270 nan 0.000 0.464 359 P HA -0.003 nan 4.420 nan 0.000 0.265 359 P C -0.343 176.996 177.300 0.065 0.000 1.187 359 P CA 0.079 63.225 63.100 0.077 0.000 0.766 359 P CB 0.502 32.228 31.700 0.042 0.000 0.820 360 A N 3.714 126.578 122.820 0.073 0.000 2.483 360 A HA 0.071 4.392 4.320 0.001 0.000 0.238 360 A C 0.659 178.264 177.584 0.034 0.000 1.070 360 A CA -0.173 51.917 52.037 0.088 0.000 0.770 360 A CB -0.173 18.898 19.000 0.119 0.000 1.008 360 A HN 0.518 nan 8.150 nan 0.000 0.497 361 E N 2.242 122.464 120.200 0.037 0.000 2.354 361 E HA 0.257 4.607 4.350 0.001 0.000 0.269 361 E C -2.351 174.185 176.600 -0.107 0.000 1.036 361 E CA -1.543 54.805 56.400 -0.087 0.000 0.876 361 E CB 0.358 29.974 29.700 -0.140 0.000 1.009 361 E HN 0.450 nan 8.360 nan 0.000 0.416 362 P HA 0.104 nan 4.420 nan 0.000 0.275 362 P C -0.651 176.495 177.300 -0.257 0.000 1.227 362 P CA 0.082 63.008 63.100 -0.290 0.000 0.781 362 P CB 0.685 31.885 31.700 -0.834 0.000 0.906 363 H N 2.683 121.771 119.070 0.030 0.000 2.718 363 H HA 0.284 4.841 4.556 0.001 0.000 0.295 363 H C -0.233 175.211 175.328 0.193 0.000 1.051 363 H CA -0.354 55.788 56.048 0.157 0.000 1.260 363 H CB 0.230 30.096 29.762 0.173 0.000 1.403 363 H HN 0.312 nan 8.280 nan 0.000 0.488 364 F N 1.863 121.967 119.950 0.257 0.000 2.389 364 F HA 0.056 4.583 4.527 0.001 0.000 0.337 364 F C 1.578 177.542 175.800 0.273 0.000 1.112 364 F CA -0.473 57.690 58.000 0.272 0.000 1.192 364 F CB 1.011 40.104 39.000 0.154 0.000 1.185 364 F HN 0.366 nan 8.300 nan 0.000 0.552 365 T N -0.976 113.849 114.554 0.452 0.000 2.856 365 T HA 0.050 4.400 4.350 0.001 0.000 0.306 365 T C 1.280 176.158 174.700 0.296 0.000 1.062 365 T CA -0.517 61.785 62.100 0.338 0.000 1.083 365 T CB 0.972 70.020 68.868 0.300 0.000 0.984 365 T HN 0.571 nan 8.240 nan 0.000 0.542 366 S N 1.304 117.135 115.700 0.219 0.000 2.365 366 S HA -0.182 4.289 4.470 0.001 0.000 0.225 366 S C 1.956 176.661 174.600 0.176 0.000 1.039 366 S CA 1.735 60.044 58.200 0.182 0.000 1.033 366 S CB -0.638 62.646 63.200 0.141 0.000 0.887 366 S HN 0.967 nan 8.310 nan 0.000 0.447 367 D N -0.054 120.449 120.400 0.171 0.000 2.144 367 D HA -0.034 4.607 4.640 0.001 0.000 0.199 367 D C 1.515 177.926 176.300 0.184 0.000 0.984 367 D CA 1.164 55.258 54.000 0.157 0.000 0.834 367 D CB -0.603 40.281 40.800 0.139 0.000 0.955 367 D HN 0.552 nan 8.370 nan 0.000 0.465 368 G N 1.149 110.100 108.800 0.253 0.000 2.157 368 G HA2 -0.281 3.680 3.960 0.001 0.000 0.248 368 G HA3 -0.281 3.680 3.960 0.001 0.000 0.248 368 G C 0.717 175.827 174.900 0.351 0.000 0.979 368 G CA 0.323 45.621 45.100 0.330 0.000 0.650 368 G HN 0.291 nan 8.290 nan 0.000 0.529 369 N N 0.555 119.411 118.700 0.259 0.000 2.515 369 N HA 0.250 4.990 4.740 0.001 0.000 0.185 369 N C 0.893 176.522 175.510 0.197 0.000 1.109 369 N CA 1.162 54.336 53.050 0.208 0.000 0.903 369 N CB 0.305 38.877 38.487 0.141 0.000 0.969 369 N HN 1.015 nan 8.380 nan 0.000 0.450 370 S N -0.917 114.925 115.700 0.236 0.000 2.588 370 S HA 0.707 5.178 4.470 0.001 0.000 0.269 370 S C -1.036 173.627 174.600 0.104 0.000 1.157 370 S CA -1.148 57.107 58.200 0.092 0.000 0.824 370 S CB 1.308 64.523 63.200 0.025 0.000 1.126 370 S HN 0.120 nan 8.310 nan 0.000 0.464 371 F N -1.376 118.403 119.950 -0.284 0.000 2.626 371 F HA 0.863 5.390 4.527 0.001 0.000 0.311 371 F C -2.131 173.485 175.800 -0.306 0.000 1.088 371 F CA -1.495 56.248 58.000 -0.429 0.000 0.949 371 F CB 0.804 39.062 39.000 -1.238 0.000 1.322 371 F HN 0.588 nan 8.300 nan 0.000 0.461 372 Y N 1.449 121.842 120.300 0.156 0.000 2.335 372 Y HA 0.635 5.186 4.550 0.001 0.000 0.338 372 Y C -0.223 175.832 175.900 0.258 0.000 0.977 372 Y CA -0.827 57.361 58.100 0.146 0.000 1.114 372 Y CB 1.990 40.477 38.460 0.045 0.000 1.182 372 Y HN 0.703 nan 8.280 nan 0.000 0.463 373 K N 3.302 123.936 120.400 0.389 0.000 2.498 373 K HA 0.567 4.887 4.320 0.001 0.000 0.254 373 K C -1.540 175.219 176.600 0.266 0.000 0.933 373 K CA -0.688 55.789 56.287 0.317 0.000 0.806 373 K CB 1.640 34.261 32.500 0.202 0.000 1.301 373 K HN 0.703 nan 8.250 nan 0.000 0.432 374 I N 6.153 126.842 120.570 0.199 0.000 2.452 374 I HA 0.204 4.375 4.170 0.001 0.000 0.287 374 I C 0.228 176.442 176.117 0.162 0.000 1.079 374 I CA -0.142 61.253 61.300 0.158 0.000 1.387 374 I CB 0.254 38.327 38.000 0.122 0.000 1.404 374 I HN 0.468 nan 8.210 nan 0.000 0.522 375 I N 1.571 122.260 120.570 0.199 0.000 3.145 375 I HA 0.556 4.727 4.170 0.001 0.000 0.313 375 I C -0.273 175.967 176.117 0.206 0.000 1.122 375 I CA -0.873 60.542 61.300 0.193 0.000 0.987 375 I CB 2.011 40.150 38.000 0.232 0.000 1.236 375 I HN 0.214 nan 8.210 nan 0.000 0.453 376 S N 2.219 117.996 115.700 0.130 0.000 2.549 376 S HA 0.213 4.683 4.470 0.001 0.000 0.279 376 S C -0.082 174.598 174.600 0.133 0.000 1.321 376 S CA -0.646 57.589 58.200 0.058 0.000 1.054 376 S CB -0.096 63.086 63.200 -0.029 0.000 0.899 376 S HN 0.841 nan 8.310 nan 0.000 0.497 377 N N 2.026 120.705 118.700 -0.037 0.000 2.514 377 N HA 0.235 4.975 4.740 0.001 0.000 0.299 377 N C 0.376 175.787 175.510 -0.166 0.000 1.292 377 N CA -0.782 52.090 53.050 -0.296 0.000 0.963 377 N CB 0.458 38.402 38.487 -0.906 0.000 1.124 377 N HN 0.412 nan 8.380 nan 0.000 0.580 378 E N 0.006 120.073 120.200 -0.221 0.000 2.110 378 E HA -0.174 4.176 4.350 0.001 0.000 0.193 378 E C 0.999 177.549 176.600 -0.084 0.000 0.988 378 E CA 1.459 57.789 56.400 -0.117 0.000 0.804 378 E CB -0.129 29.499 29.700 -0.120 0.000 0.745 378 E HN 0.611 nan 8.360 nan 0.000 0.458 379 E N -0.466 119.691 120.200 -0.072 0.000 2.502 379 E HA 0.110 4.461 4.350 0.001 0.000 0.194 379 E C 0.740 177.363 176.600 0.038 0.000 1.062 379 E CA 0.298 56.716 56.400 0.031 0.000 0.867 379 E CB 0.360 30.115 29.700 0.092 0.000 0.888 379 E HN 0.363 nan 8.360 nan 0.000 0.510 380 G N 0.900 109.654 108.800 -0.076 0.000 2.141 380 G HA2 -0.287 3.674 3.960 0.001 0.000 0.242 380 G HA3 -0.287 3.674 3.960 0.001 0.000 0.242 380 G C -0.392 174.273 174.900 -0.391 0.000 0.982 380 G CA -0.153 44.803 45.100 -0.239 0.000 0.662 380 G HN 0.236 nan 8.290 nan 0.000 0.527 381 Y N 0.717 120.901 120.300 -0.194 0.000 2.361 381 Y HA 0.548 5.098 4.550 0.001 0.000 0.332 381 Y C 0.890 176.616 175.900 -0.290 0.000 1.101 381 Y CA -0.929 57.021 58.100 -0.251 0.000 1.137 381 Y CB 1.129 39.430 38.460 -0.265 0.000 1.207 381 Y HN -0.103 nan 8.280 nan 0.000 0.463 382 K N 4.430 124.700 120.400 -0.217 0.000 2.349 382 K HA 0.233 4.554 4.320 0.001 0.000 0.289 382 K C -0.691 175.670 176.600 -0.398 0.000 1.064 382 K CA -0.019 56.156 56.287 -0.186 0.000 0.947 382 K CB 0.290 32.722 32.500 -0.114 0.000 1.007 382 K HN 0.722 nan 8.250 nan 0.000 0.478 383 H N 1.219 120.287 119.070 -0.002 0.000 2.985 383 H HA 0.380 4.936 4.556 0.001 0.000 0.360 383 H C -0.066 175.309 175.328 0.077 0.000 1.221 383 H CA -0.930 55.086 56.048 -0.054 0.000 1.121 383 H CB 1.527 31.185 29.762 -0.174 0.000 1.854 383 H HN 0.356 nan 8.280 nan 0.000 0.551 384 I N 1.313 121.954 120.570 0.118 0.000 2.471 384 I HA 0.036 4.207 4.170 0.001 0.000 0.286 384 I C 0.467 176.591 176.117 0.013 0.000 1.079 384 I CA 0.197 61.524 61.300 0.045 0.000 1.398 384 I CB 0.261 38.206 38.000 -0.093 0.000 1.403 384 I HN 0.136 nan 8.210 nan 0.000 0.530 385 c N 6.521 125.068 118.600 -0.088 0.000 2.411 385 c HA 0.300 4.870 4.570 0.001 0.000 0.330 385 c C 0.108 173.982 174.090 -0.359 0.000 1.224 385 c CA -0.446 55.584 56.329 -0.500 0.000 1.770 385 c CB 0.587 42.502 42.510 -0.991 0.000 2.297 385 c HN 0.759 nan 8.230 nan 0.000 0.507 386 H N 4.193 122.875 119.070 -0.646 0.000 2.690 386 H HA 0.426 4.982 4.556 0.001 0.000 0.289 386 H C -1.181 173.636 175.328 -0.851 0.000 1.089 386 H CA -0.341 55.269 56.048 -0.730 0.000 1.299 386 H CB 0.266 29.717 29.762 -0.518 0.000 1.405 386 H HN 0.569 nan 8.280 nan 0.000 0.463 387 F N 2.803 122.165 119.950 -0.980 0.000 2.422 387 F HA 0.151 4.678 4.527 0.001 0.000 0.333 387 F C 0.455 175.661 175.800 -0.989 0.000 1.095 387 F CA -0.735 56.604 58.000 -1.101 0.000 1.038 387 F CB 1.675 39.581 39.000 -1.824 0.000 1.156 387 F HN 0.553 nan 8.300 nan 0.000 0.483 388 Q N 0.826 120.357 119.800 -0.447 0.000 2.243 388 Q HA 0.270 4.610 4.340 0.001 0.000 0.252 388 Q C 0.776 176.793 176.000 0.028 0.000 0.909 388 Q CA -0.088 55.578 55.803 -0.228 0.000 0.922 388 Q CB 1.707 30.339 28.738 -0.177 0.000 1.215 388 Q HN 0.798 nan 8.270 nan 0.000 0.427 389 T N 1.995 116.636 114.554 0.146 0.000 2.759 389 T HA -0.152 4.198 4.350 0.001 0.000 0.269 389 T C 0.323 175.254 174.700 0.384 0.000 1.042 389 T CA 1.751 64.075 62.100 0.372 0.000 1.140 389 T CB -0.121 68.976 68.868 0.382 0.000 0.864 389 T HN 0.804 nan 8.240 nan 0.000 0.455 390 D N 0.173 120.695 120.400 0.203 0.000 2.368 390 D HA 0.102 4.743 4.640 0.001 0.000 0.218 390 D C 0.340 176.674 176.300 0.056 0.000 1.112 390 D CA -0.090 53.980 54.000 0.116 0.000 0.834 390 D CB 0.168 41.014 40.800 0.076 0.000 0.953 390 D HN 0.199 nan 8.370 nan 0.000 0.505 391 K N -0.089 120.364 120.400 0.088 0.000 2.328 391 K HA 0.345 4.666 4.320 0.001 0.000 0.246 391 K C 0.587 177.220 176.600 0.054 0.000 0.955 391 K CA -0.482 55.820 56.287 0.024 0.000 0.817 391 K CB 2.103 34.591 32.500 -0.020 0.000 1.208 391 K HN -0.022 nan 8.250 nan 0.000 0.432 392 S N -0.162 115.528 115.700 -0.017 0.000 2.470 392 S HA -0.085 4.386 4.470 0.001 0.000 0.222 392 S C 0.531 175.159 174.600 0.045 0.000 1.024 392 S CA 0.036 58.237 58.200 0.001 0.000 0.931 392 S CB -0.504 62.666 63.200 -0.050 0.000 0.791 392 S HN 0.737 nan 8.310 nan 0.000 0.513 393 N N 1.473 120.142 118.700 -0.052 0.000 2.498 393 N HA 0.511 5.251 4.740 0.001 0.000 0.287 393 N C -0.234 175.084 175.510 -0.320 0.000 1.097 393 N CA -0.644 52.317 53.050 -0.148 0.000 0.973 393 N CB 1.146 39.557 38.487 -0.127 0.000 1.153 393 N HN 0.492 nan 8.380 nan 0.000 0.472 394 c N -0.304 117.968 118.600 -0.546 0.000 2.562 394 c HA 0.773 5.344 4.570 0.001 0.000 0.332 394 c C -0.218 173.466 174.090 -0.677 0.000 1.201 394 c CA -0.698 55.093 56.329 -0.896 0.000 1.803 394 c CB 1.031 42.387 42.510 -1.923 0.000 2.328 394 c HN 0.731 nan 8.230 nan 0.000 0.500 395 T N 2.245 116.436 114.554 -0.604 0.000 2.779 395 T HA 0.490 4.840 4.350 0.001 0.000 0.280 395 T C -0.637 173.817 174.700 -0.410 0.000 0.987 395 T CA 0.121 62.010 62.100 -0.352 0.000 0.966 395 T CB 0.405 69.199 68.868 -0.123 0.000 0.933 395 T HN 0.498 nan 8.240 nan 0.000 0.442 396 F N 2.970 122.776 119.950 -0.240 0.000 2.495 396 F HA 0.252 4.780 4.527 0.001 0.000 0.365 396 F C 1.557 177.159 175.800 -0.330 0.000 1.090 396 F CA -0.802 57.043 58.000 -0.259 0.000 1.235 396 F CB 0.416 39.276 39.000 -0.234 0.000 1.119 396 F HN 0.588 nan 8.300 nan 0.000 0.562 397 I N -0.867 119.562 120.570 -0.236 0.000 4.057 397 I HA 0.252 4.423 4.170 0.001 0.000 0.334 397 I C 0.150 176.084 176.117 -0.306 0.000 1.308 397 I CA 0.070 61.046 61.300 -0.540 0.000 1.125 397 I CB 0.111 37.635 38.000 -0.794 0.000 1.034 397 I HN 0.450 nan 8.210 nan 0.000 0.401 398 T N 0.065 114.478 114.554 -0.236 0.000 2.900 398 T HA 0.712 5.063 4.350 0.001 0.000 0.295 398 T C -0.687 173.556 174.700 -0.762 0.000 1.044 398 T CA -0.759 61.152 62.100 -0.315 0.000 0.995 398 T CB 2.454 71.200 68.868 -0.204 0.000 1.072 398 T HN 0.434 nan 8.240 nan 0.000 0.473 399 K N 0.148 120.016 120.400 -0.886 0.000 2.509 399 K HA 0.912 5.232 4.320 0.001 0.000 0.266 399 K C -0.314 175.683 176.600 -1.005 0.000 0.987 399 K CA -1.164 54.437 56.287 -1.144 0.000 0.868 399 K CB 1.784 33.955 32.500 -0.548 0.000 1.421 399 K HN 1.405 nan 8.250 nan 0.000 0.444 400 G N -0.713 107.592 108.800 -0.824 0.000 2.340 400 G HA2 0.307 4.268 3.960 0.001 0.000 0.527 400 G HA3 0.307 4.268 3.960 0.001 0.000 0.527 400 G C -1.166 173.254 174.900 -0.799 0.000 1.381 400 G CA -0.542 44.194 45.100 -0.606 0.000 1.001 400 G HN 0.832 nan 8.290 nan 0.000 0.626 401 A N 1.028 123.516 122.820 -0.554 0.000 3.074 401 A HA 0.612 4.933 4.320 0.001 0.000 0.251 401 A C 0.276 177.682 177.584 -0.296 0.000 1.695 401 A CA 0.664 52.184 52.037 -0.862 0.000 1.343 401 A CB -1.147 17.633 19.000 -0.368 0.000 1.078 401 A HN 1.739 nan 8.150 nan 0.000 0.644 402 W N -1.117 120.003 121.300 -0.299 0.000 3.066 402 W HA 0.598 5.258 4.660 0.001 0.000 0.330 402 W C -1.198 175.314 176.519 -0.012 0.000 1.253 402 W CA -0.873 56.473 57.345 0.002 0.000 1.187 402 W CB 0.382 29.843 29.460 0.002 0.000 1.434 402 W HN 0.186 nan 8.180 nan 0.000 0.572 403 E N 1.208 121.583 120.200 0.293 0.000 2.199 403 E HA 0.413 4.764 4.350 0.001 0.000 0.269 403 E C -0.726 176.002 176.600 0.213 0.000 0.899 403 E CA -1.109 55.306 56.400 0.025 0.000 0.772 403 E CB 3.274 33.031 29.700 0.096 0.000 1.155 403 E HN 0.181 nan 8.360 nan 0.000 0.408 404 V N 4.989 124.921 119.914 0.029 0.000 2.521 404 V HA -0.033 4.088 4.120 0.001 0.000 0.286 404 V C 1.359 177.575 176.094 0.202 0.000 1.034 404 V CA 0.093 62.514 62.300 0.202 0.000 1.045 404 V CB 0.442 32.293 31.823 0.046 0.000 0.974 404 V HN 0.702 nan 8.190 nan 0.000 0.480 405 I N 3.119 123.852 120.570 0.271 0.000 2.400 405 I HA 0.256 4.427 4.170 0.001 0.000 0.248 405 I C 1.102 177.364 176.117 0.242 0.000 1.109 405 I CA 1.213 62.681 61.300 0.280 0.000 1.425 405 I CB -0.891 37.253 38.000 0.240 0.000 1.094 405 I HN 0.749 nan 8.210 nan 0.000 0.425 406 G N 0.895 109.831 108.800 0.226 0.000 2.655 406 G HA2 0.516 4.476 3.960 0.001 0.000 0.296 406 G HA3 0.516 4.476 3.960 0.001 0.000 0.296 406 G C -1.235 173.758 174.900 0.156 0.000 1.485 406 G CA -0.604 44.613 45.100 0.196 0.000 0.869 406 G HN -0.025 nan 8.290 nan 0.000 0.540 407 I N 1.635 122.217 120.570 0.021 0.000 2.416 407 I HA 0.216 4.386 4.170 0.001 0.000 0.288 407 I C 1.042 177.047 176.117 -0.187 0.000 1.051 407 I CA -0.345 60.842 61.300 -0.189 0.000 1.375 407 I CB 1.608 39.234 38.000 -0.622 0.000 1.407 407 I HN 0.553 nan 8.210 nan 0.000 0.516 408 E N 4.764 124.924 120.200 -0.067 0.000 2.201 408 E HA 0.281 4.632 4.350 0.001 0.000 0.193 408 E C 0.172 176.669 176.600 -0.170 0.000 0.957 408 E CA 0.289 56.681 56.400 -0.013 0.000 0.858 408 E CB 0.832 30.600 29.700 0.113 0.000 0.816 408 E HN 0.722 nan 8.360 nan 0.000 0.475 409 A N 0.615 123.246 122.820 -0.316 0.000 2.606 409 A HA 0.632 4.952 4.320 0.001 0.000 0.293 409 A C -1.932 175.593 177.584 -0.098 0.000 1.082 409 A CA -0.590 51.251 52.037 -0.327 0.000 0.685 409 A CB 1.561 19.973 19.000 -0.979 0.000 1.284 409 A HN 0.049 nan 8.150 nan 0.000 0.408 410 L N 1.121 122.335 121.223 -0.014 0.000 2.516 410 L HA 0.728 5.068 4.340 0.001 0.000 0.267 410 L C 0.091 176.999 176.870 0.064 0.000 0.957 410 L CA 0.417 55.265 54.840 0.014 0.000 0.860 410 L CB 2.004 44.086 42.059 0.040 0.000 1.265 410 L HN 1.162 nan 8.230 nan 0.000 0.403 411 T N -0.194 114.400 114.554 0.067 0.000 2.804 411 T HA 0.461 4.811 4.350 0.001 0.000 0.272 411 T C 0.993 175.705 174.700 0.021 0.000 0.986 411 T CA 0.047 62.192 62.100 0.075 0.000 0.999 411 T CB 1.045 69.993 68.868 0.132 0.000 1.307 411 T HN 0.503 nan 8.240 nan 0.000 0.586 412 S N 0.286 115.993 115.700 0.010 0.000 2.423 412 S HA -0.077 4.394 4.470 0.001 0.000 0.231 412 S C 1.007 175.540 174.600 -0.113 0.000 1.014 412 S CA 1.047 59.236 58.200 -0.019 0.000 0.965 412 S CB -0.388 62.807 63.200 -0.007 0.000 0.785 412 S HN 0.734 nan 8.310 nan 0.000 0.495 413 D N -0.715 119.547 120.400 -0.229 0.000 2.431 413 D HA 0.208 4.848 4.640 0.001 0.000 0.227 413 D C -0.268 175.631 176.300 -0.669 0.000 1.030 413 D CA 0.566 54.247 54.000 -0.531 0.000 0.897 413 D CB 0.346 40.645 40.800 -0.835 0.000 1.058 413 D HN 0.402 nan 8.370 nan 0.000 0.500 414 Y N 0.252 120.471 120.300 -0.136 0.000 2.536 414 Y HA 0.436 4.986 4.550 0.001 0.000 0.347 414 Y C -0.324 175.348 175.900 -0.380 0.000 1.000 414 Y CA -1.201 56.720 58.100 -0.297 0.000 1.051 414 Y CB 2.491 40.685 38.460 -0.443 0.000 1.259 414 Y HN -0.236 nan 8.280 nan 0.000 0.468 415 L N 3.437 124.486 121.223 -0.290 0.000 2.333 415 L HA 0.504 4.845 4.340 0.001 0.000 0.280 415 L C -1.848 174.811 176.870 -0.352 0.000 1.004 415 L CA -0.877 53.774 54.840 -0.316 0.000 0.820 415 L CB 0.789 42.628 42.059 -0.366 0.000 1.247 415 L HN 0.684 nan 8.230 nan 0.000 0.416 416 Y N 5.727 125.918 120.300 -0.181 0.000 2.330 416 Y HA 0.545 5.096 4.550 0.001 0.000 0.336 416 Y C -0.203 175.662 175.900 -0.058 0.000 1.036 416 Y CA -0.392 57.578 58.100 -0.217 0.000 1.125 416 Y CB 1.413 39.523 38.460 -0.584 0.000 1.194 416 Y HN 0.549 nan 8.280 nan 0.000 0.469 417 Y N 0.844 121.179 120.300 0.058 0.000 2.597 417 Y HA 0.738 5.289 4.550 0.001 0.000 0.340 417 Y C -1.840 174.149 175.900 0.148 0.000 1.097 417 Y CA -1.782 56.357 58.100 0.066 0.000 1.037 417 Y CB 1.067 39.548 38.460 0.035 0.000 1.305 417 Y HN 0.295 nan 8.280 nan 0.000 0.463 418 I N 3.500 124.226 120.570 0.261 0.000 2.359 418 I HA 0.545 4.716 4.170 0.001 0.000 0.294 418 I C 0.073 176.378 176.117 0.313 0.000 0.987 418 I CA -0.189 61.229 61.300 0.196 0.000 1.225 418 I CB 1.326 39.413 38.000 0.146 0.000 1.366 418 I HN 0.868 nan 8.210 nan 0.000 0.466 419 S N 4.422 120.267 115.700 0.242 0.000 2.697 419 S HA 0.493 4.963 4.470 0.001 0.000 0.289 419 S C -0.212 174.455 174.600 0.111 0.000 1.149 419 S CA -0.756 57.582 58.200 0.230 0.000 0.850 419 S CB 2.011 65.325 63.200 0.189 0.000 1.151 419 S HN 0.598 nan 8.310 nan 0.000 0.491 420 N N -0.230 118.539 118.700 0.115 0.000 2.328 420 N HA 0.142 4.883 4.740 0.001 0.000 0.247 420 N C 0.549 176.039 175.510 -0.033 0.000 1.165 420 N CA -0.234 52.840 53.050 0.041 0.000 0.873 420 N CB 0.208 38.725 38.487 0.051 0.000 1.125 420 N HN 0.833 nan 8.380 nan 0.000 0.513 421 E N 0.307 120.332 120.200 -0.291 0.000 2.072 421 E HA -0.233 4.118 4.350 0.001 0.000 0.191 421 E C -0.155 176.294 176.600 -0.252 0.000 0.985 421 E CA 0.513 56.497 56.400 -0.693 0.000 0.801 421 E CB -0.144 28.567 29.700 -1.649 0.000 0.750 421 E HN 0.514 nan 8.360 nan 0.000 0.452 422 H N 0.993 119.984 119.070 -0.132 0.000 3.070 422 H HA -0.007 4.550 4.556 0.001 0.000 0.313 422 H C 0.041 175.339 175.328 -0.050 0.000 0.997 422 H CA 1.274 57.290 56.048 -0.054 0.000 1.438 422 H CB 0.204 29.957 29.762 -0.016 0.000 1.455 422 H HN 0.140 nan 8.280 nan 0.000 0.575 423 K N 2.993 123.121 120.400 -0.453 0.000 3.349 423 K HA -0.233 4.087 4.320 0.001 0.000 0.310 423 K C 0.974 177.529 176.600 -0.075 0.000 1.267 423 K CA 0.792 56.906 56.287 -0.290 0.000 0.920 423 K CB -1.653 30.670 32.500 -0.296 0.000 1.240 423 K HN 1.095 nan 8.250 nan 0.000 0.453 424 G N 1.500 110.268 108.800 -0.053 0.000 2.233 424 G HA2 -0.352 3.608 3.960 0.001 0.000 0.270 424 G HA3 -0.352 3.608 3.960 0.001 0.000 0.270 424 G C 0.064 174.995 174.900 0.051 0.000 1.011 424 G CA 1.012 46.142 45.100 0.049 0.000 0.762 424 G HN 0.543 nan 8.290 nan 0.000 0.511 425 M N -1.075 118.437 119.600 -0.148 0.000 2.055 425 M HA 0.524 5.004 4.480 0.001 0.000 0.347 425 M C -1.449 174.581 176.300 -0.450 0.000 1.123 425 M CA -2.318 52.638 55.300 -0.574 0.000 1.035 425 M CB 1.906 34.015 32.600 -0.818 0.000 1.484 425 M HN -0.105 nan 8.290 nan 0.000 0.428 426 P HA -0.058 nan 4.420 nan 0.000 0.226 426 P C 1.079 178.264 177.300 -0.192 0.000 1.146 426 P CA 1.381 64.375 63.100 -0.177 0.000 0.773 426 P CB -0.094 31.578 31.700 -0.047 0.000 0.772 427 G N -0.593 108.027 108.800 -0.300 0.000 3.314 427 G HA2 0.333 4.294 3.960 0.001 0.000 0.238 427 G HA3 0.333 4.294 3.960 0.001 0.000 0.238 427 G C 0.565 175.470 174.900 0.008 0.000 1.184 427 G CA 0.025 45.050 45.100 -0.124 0.000 0.806 427 G HN 0.425 nan 8.290 nan 0.000 0.536 428 G N -0.143 108.612 108.800 -0.075 0.000 2.498 428 G HA2 0.663 4.624 3.960 0.001 0.000 0.312 428 G HA3 0.663 4.624 3.960 0.001 0.000 0.312 428 G C -0.871 173.925 174.900 -0.174 0.000 1.230 428 G CA -0.833 44.249 45.100 -0.030 0.000 0.968 428 G HN 0.105 nan 8.290 nan 0.000 0.481 429 R N 1.199 121.540 120.500 -0.266 0.000 2.628 429 R HA 0.487 4.828 4.340 0.001 0.000 0.288 429 R C -1.273 175.015 176.300 -0.021 0.000 0.980 429 R CA -0.883 55.067 56.100 -0.250 0.000 0.891 429 R CB 2.279 32.233 30.300 -0.577 0.000 1.188 429 R HN 0.571 nan 8.270 nan 0.000 0.450 430 N N 1.579 120.296 118.700 0.028 0.000 2.277 430 N HA 0.276 5.016 4.740 0.001 0.000 0.286 430 N C -1.302 174.136 175.510 -0.119 0.000 1.140 430 N CA -0.810 52.195 53.050 -0.075 0.000 0.799 430 N CB 2.742 41.100 38.487 -0.214 0.000 1.596 430 N HN 0.269 nan 8.380 nan 0.000 0.473 431 L N 2.444 123.468 121.223 -0.332 0.000 2.319 431 L HA 0.393 4.734 4.340 0.001 0.000 0.280 431 L C -1.317 175.246 176.870 -0.512 0.000 1.099 431 L CA 0.143 54.805 54.840 -0.296 0.000 0.828 431 L CB -0.245 41.643 42.059 -0.285 0.000 1.150 431 L HN 0.394 nan 8.230 nan 0.000 0.442 432 Y N 4.393 124.363 120.300 -0.550 0.000 2.485 432 Y HA 0.596 5.146 4.550 0.001 0.000 0.345 432 Y C -0.092 175.491 175.900 -0.528 0.000 0.998 432 Y CA -0.712 57.005 58.100 -0.639 0.000 1.059 432 Y CB 1.560 39.399 38.460 -1.036 0.000 1.234 432 Y HN 0.488 nan 8.280 nan 0.000 0.461 433 R N 3.862 124.225 120.500 -0.229 0.000 2.439 433 R HA 0.617 4.958 4.340 0.001 0.000 0.310 433 R C -1.809 174.410 176.300 -0.135 0.000 0.955 433 R CA -0.628 55.271 56.100 -0.334 0.000 0.853 433 R CB 1.001 31.006 30.300 -0.492 0.000 1.171 433 R HN 0.885 nan 8.270 nan 0.000 0.449 434 I N 3.104 123.650 120.570 -0.041 0.000 2.404 434 I HA 0.235 4.405 4.170 0.001 0.000 0.293 434 I C -0.388 175.788 176.117 0.097 0.000 0.992 434 I CA -0.629 60.727 61.300 0.093 0.000 1.149 434 I CB 1.818 39.934 38.000 0.192 0.000 1.315 434 I HN 0.664 nan 8.210 nan 0.000 0.446 435 Q N 4.607 124.506 119.800 0.164 0.000 2.332 435 Q HA 0.118 4.459 4.340 0.001 0.000 0.263 435 Q C 0.247 176.298 176.000 0.084 0.000 0.979 435 Q CA -0.405 55.487 55.803 0.148 0.000 0.885 435 Q CB 1.269 30.088 28.738 0.134 0.000 1.218 435 Q HN 0.718 nan 8.270 nan 0.000 0.405 436 L N 3.474 124.679 121.223 -0.030 0.000 2.240 436 L HA -0.105 4.235 4.340 0.001 0.000 0.211 436 L C 1.284 178.122 176.870 -0.053 0.000 1.106 436 L CA 1.630 56.481 54.840 0.018 0.000 0.793 436 L CB -0.702 41.311 42.059 -0.077 0.000 0.927 436 L HN 0.748 nan 8.230 nan 0.000 0.446 437 N N -2.638 115.980 118.700 -0.136 0.000 2.299 437 N HA -0.000 4.740 4.740 0.001 0.000 0.187 437 N C 0.140 175.494 175.510 -0.259 0.000 1.099 437 N CA 0.124 53.051 53.050 -0.205 0.000 0.867 437 N CB 0.262 38.667 38.487 -0.137 0.000 0.974 437 N HN 0.066 nan 8.380 nan 0.000 0.477 438 D N -0.220 120.070 120.400 -0.182 0.000 2.346 438 D HA 0.065 4.706 4.640 0.001 0.000 0.255 438 D C -0.341 175.977 176.300 0.030 0.000 1.276 438 D CA -0.468 53.464 54.000 -0.113 0.000 0.941 438 D CB 0.348 41.127 40.800 -0.035 0.000 1.199 438 D HN 0.002 nan 8.370 nan 0.000 0.537 439 Y N 0.778 121.084 120.300 0.010 0.000 2.574 439 Y HA -0.122 4.428 4.550 0.001 0.000 0.294 439 Y C 2.570 178.488 175.900 0.031 0.000 1.142 439 Y CA 0.911 59.022 58.100 0.018 0.000 1.314 439 Y CB -0.673 37.795 38.460 0.014 0.000 0.991 439 Y HN 0.357 nan 8.280 nan 0.000 0.555 440 T N -2.526 112.124 114.554 0.161 0.000 2.942 440 T HA -0.058 4.292 4.350 0.001 0.000 0.265 440 T C 1.090 175.849 174.700 0.099 0.000 1.062 440 T CA 0.194 62.359 62.100 0.109 0.000 1.139 440 T CB -0.135 68.774 68.868 0.068 0.000 0.883 440 T HN -0.021 nan 8.240 nan 0.000 0.468 441 K N 2.052 122.508 120.400 0.094 0.000 2.054 441 K HA 0.346 4.666 4.320 0.001 0.000 0.242 441 K C -1.047 175.613 176.600 0.099 0.000 1.157 441 K CA -0.201 56.136 56.287 0.083 0.000 1.079 441 K CB -0.112 32.435 32.500 0.078 0.000 1.331 441 K HN 0.178 nan 8.250 nan 0.000 0.317 442 V N 2.994 122.967 119.914 0.099 0.000 2.378 442 V HA 0.358 4.478 4.120 0.001 0.000 0.288 442 V C -0.882 175.260 176.094 0.080 0.000 1.016 442 V CA -0.241 62.131 62.300 0.119 0.000 0.840 442 V CB 1.786 33.718 31.823 0.183 0.000 0.994 442 V HN 0.505 nan 8.190 nan 0.000 0.431 443 T N 5.932 120.496 114.554 0.017 0.000 2.797 443 T HA 0.293 4.644 4.350 0.001 0.000 0.279 443 T C -0.525 174.071 174.700 -0.173 0.000 0.991 443 T CA -0.270 61.790 62.100 -0.068 0.000 0.979 443 T CB 1.149 69.952 68.868 -0.109 0.000 0.943 443 T HN 0.796 nan 8.240 nan 0.000 0.444 444 C N 5.674 124.794 119.300 -0.300 0.000 2.225 444 C HA 0.424 4.884 4.460 0.001 0.000 0.328 444 C C 1.645 176.321 174.990 -0.524 0.000 1.187 444 C CA -0.685 57.919 59.018 -0.691 0.000 1.665 444 C CB -2.090 25.111 27.740 -0.899 0.000 2.253 444 C HN 0.983 nan 8.230 nan 0.000 0.497 445 L N 4.561 125.480 121.223 -0.506 0.000 2.492 445 L HA 0.068 4.409 4.340 0.001 0.000 0.223 445 L C 2.124 178.716 176.870 -0.464 0.000 1.132 445 L CA 1.006 55.623 54.840 -0.372 0.000 0.850 445 L CB -0.356 41.535 42.059 -0.280 0.000 0.966 445 L HN 0.854 nan 8.230 nan 0.000 0.454 446 S N -3.243 112.074 115.700 -0.638 0.000 2.604 446 S HA 0.010 4.480 4.470 0.001 0.000 0.235 446 S C 1.800 176.029 174.600 -0.620 0.000 1.043 446 S CA -0.142 57.565 58.200 -0.823 0.000 0.997 446 S CB -0.272 62.065 63.200 -1.439 0.000 0.956 446 S HN 0.301 nan 8.310 nan 0.000 0.535 447 C N 1.869 120.806 119.300 -0.605 0.000 2.393 447 C HA 0.044 4.505 4.460 0.001 0.000 0.276 447 C C 1.596 176.355 174.990 -0.386 0.000 1.215 447 C CA 1.193 59.819 59.018 -0.654 0.000 1.743 447 C CB -1.037 26.154 27.740 -0.914 0.000 2.044 447 C HN 0.645 nan 8.230 nan 0.000 0.464 448 E N -0.509 119.530 120.200 -0.269 0.000 3.269 448 E HA 0.329 4.679 4.350 0.001 0.000 0.221 448 E C 0.765 177.316 176.600 -0.081 0.000 1.113 448 E CA -0.082 56.244 56.400 -0.123 0.000 1.385 448 E CB 0.068 29.716 29.700 -0.086 0.000 1.345 448 E HN 0.461 nan 8.360 nan 0.000 0.435 449 L N 0.022 121.206 121.223 -0.065 0.000 2.187 449 L HA 0.190 4.530 4.340 0.001 0.000 0.197 449 L C -0.107 176.779 176.870 0.026 0.000 1.090 449 L CA 0.751 55.586 54.840 -0.009 0.000 0.781 449 L CB 0.381 42.448 42.059 0.013 0.000 0.956 449 L HN 0.135 nan 8.230 nan 0.000 0.463 450 N N -0.709 118.026 118.700 0.058 0.000 2.752 450 N HA 0.158 4.898 4.740 0.001 0.000 0.260 450 N C -2.198 173.340 175.510 0.047 0.000 1.562 450 N CA -0.925 52.149 53.050 0.040 0.000 0.788 450 N CB 0.840 39.342 38.487 0.026 0.000 1.192 450 N HN -0.018 nan 8.380 nan 0.000 0.503 451 P HA -0.162 nan 4.420 nan 0.000 0.223 451 P C 0.507 177.846 177.300 0.064 0.000 1.144 451 P CA 1.313 64.453 63.100 0.067 0.000 0.783 451 P CB 0.670 32.412 31.700 0.070 0.000 0.771 452 E N -0.475 119.748 120.200 0.039 0.000 2.127 452 E HA -0.017 4.333 4.350 0.001 0.000 0.191 452 E C 2.205 178.814 176.600 0.015 0.000 0.964 452 E CA 0.471 56.888 56.400 0.029 0.000 0.832 452 E CB -0.275 29.436 29.700 0.019 0.000 0.790 452 E HN 0.256 nan 8.360 nan 0.000 0.465 453 R N -0.166 120.333 120.500 -0.002 0.000 2.127 453 R HA 0.061 4.401 4.340 0.001 0.000 0.217 453 R C 0.012 176.278 176.300 -0.057 0.000 1.074 453 R CA 0.592 56.671 56.100 -0.034 0.000 0.991 453 R CB 0.359 30.628 30.300 -0.052 0.000 0.895 453 R HN 0.020 nan 8.270 nan 0.000 0.450 454 c N 0.532 119.107 118.600 -0.041 0.000 2.386 454 c HA 0.382 4.952 4.570 0.001 0.000 0.318 454 c C 0.196 174.284 174.090 -0.003 0.000 1.128 454 c CA -0.726 55.526 56.329 -0.129 0.000 1.438 454 c CB 1.339 43.718 42.510 -0.219 0.000 1.987 454 c HN 0.509 nan 8.230 nan 0.000 0.426 455 Q N 0.239 120.042 119.800 0.005 0.000 2.211 455 Q HA 0.191 4.531 4.340 0.001 0.000 0.242 455 Q C -0.551 175.527 176.000 0.131 0.000 0.825 455 Q CA 0.280 56.148 55.803 0.109 0.000 0.951 455 Q CB 1.077 29.878 28.738 0.106 0.000 1.130 455 Q HN 0.789 nan 8.270 nan 0.000 0.496 456 Y N 0.664 120.920 120.300 -0.074 0.000 2.388 456 Y HA 0.369 4.920 4.550 0.001 0.000 0.328 456 Y C -1.373 174.494 175.900 -0.054 0.000 0.963 456 Y CA -0.956 57.137 58.100 -0.012 0.000 1.240 456 Y CB 0.507 38.977 38.460 0.018 0.000 1.118 456 Y HN -0.085 nan 8.280 nan 0.000 0.484 457 Y N 2.240 122.526 120.300 -0.023 0.000 2.446 457 Y HA 0.590 5.141 4.550 0.001 0.000 0.338 457 Y C 0.174 176.126 175.900 0.085 0.000 1.055 457 Y CA -0.435 57.690 58.100 0.042 0.000 1.101 457 Y CB 2.292 40.713 38.460 -0.064 0.000 1.221 457 Y HN 0.437 nan 8.280 nan 0.000 0.460 458 S N 1.128 117.063 115.700 0.392 0.000 2.632 458 S HA 0.928 5.398 4.470 0.001 0.000 0.289 458 S C -1.471 173.289 174.600 0.268 0.000 1.115 458 S CA -0.414 57.990 58.200 0.340 0.000 0.889 458 S CB 1.233 64.740 63.200 0.512 0.000 1.116 458 S HN 0.819 nan 8.310 nan 0.000 0.486 459 A N 1.260 124.223 122.820 0.239 0.000 2.515 459 A HA 0.819 5.139 4.320 0.001 0.000 0.298 459 A C -0.942 176.783 177.584 0.234 0.000 1.059 459 A CA -0.596 51.546 52.037 0.174 0.000 0.698 459 A CB 1.863 20.928 19.000 0.109 0.000 1.289 459 A HN 0.782 nan 8.150 nan 0.000 0.404 460 S N 1.005 116.806 115.700 0.168 0.000 2.779 460 S HA 0.694 5.165 4.470 0.001 0.000 0.293 460 S C -1.439 173.274 174.600 0.188 0.000 1.150 460 S CA -0.346 58.042 58.200 0.313 0.000 1.057 460 S CB -0.127 63.324 63.200 0.417 0.000 1.021 460 S HN 0.453 nan 8.310 nan 0.000 0.485 461 F N 2.951 122.916 119.950 0.026 0.000 2.377 461 F HA 0.495 5.022 4.527 0.001 0.000 0.328 461 F C 1.398 176.767 175.800 -0.719 0.000 1.094 461 F CA -0.394 57.441 58.000 -0.275 0.000 1.093 461 F CB 1.464 40.314 39.000 -0.250 0.000 1.214 461 F HN 0.626 nan 8.300 nan 0.000 0.518 462 S N 0.773 115.886 115.700 -0.978 0.000 2.626 462 S HA 0.101 4.571 4.470 0.001 0.000 0.257 462 S C 1.012 175.460 174.600 -0.254 0.000 1.288 462 S CA -0.386 57.200 58.200 -1.023 0.000 0.980 462 S CB 0.212 62.831 63.200 -0.969 0.000 0.975 462 S HN 0.736 nan 8.310 nan 0.000 0.577 463 N N 0.580 119.239 118.700 -0.068 0.000 2.094 463 N HA -0.107 4.634 4.740 0.001 0.000 0.191 463 N C 0.983 176.520 175.510 0.045 0.000 1.023 463 N CA 1.059 54.135 53.050 0.045 0.000 0.857 463 N CB -0.124 38.413 38.487 0.084 0.000 1.013 463 N HN 0.498 nan 8.380 nan 0.000 0.426 464 K N 0.001 120.418 120.400 0.029 0.000 2.478 464 K HA 0.268 4.589 4.320 0.001 0.000 0.205 464 K C -0.174 176.444 176.600 0.031 0.000 1.033 464 K CA -0.101 56.214 56.287 0.047 0.000 1.091 464 K CB 1.196 33.736 32.500 0.066 0.000 0.844 464 K HN 0.136 nan 8.250 nan 0.000 0.507 465 A N 1.182 124.001 122.820 -0.003 0.000 2.872 465 A HA -0.257 4.064 4.320 0.001 0.000 0.273 465 A C 1.071 178.657 177.584 0.004 0.000 1.442 465 A CA 1.463 53.512 52.037 0.020 0.000 0.801 465 A CB -1.794 17.167 19.000 -0.065 0.000 1.031 465 A HN 0.378 nan 8.150 nan 0.000 0.582 466 K N -1.903 118.445 120.400 -0.086 0.000 2.243 466 K HA 0.248 4.568 4.320 0.001 0.000 0.201 466 K C 0.067 176.303 176.600 -0.607 0.000 1.051 466 K CA 1.376 57.493 56.287 -0.283 0.000 0.970 466 K CB 0.085 32.431 32.500 -0.257 0.000 0.755 466 K HN 0.722 nan 8.250 nan 0.000 0.465 467 Y N -1.079 119.162 120.300 -0.099 0.000 2.553 467 Y HA 0.346 4.896 4.550 0.001 0.000 0.347 467 Y C -1.039 174.700 175.900 -0.269 0.000 1.019 467 Y CA -1.625 56.390 58.100 -0.141 0.000 1.032 467 Y CB 1.678 40.108 38.460 -0.050 0.000 1.284 467 Y HN -0.084 nan 8.280 nan 0.000 0.466 468 Y N -0.869 119.340 120.300 -0.152 0.000 2.513 468 Y HA 0.505 5.056 4.550 0.001 0.000 0.340 468 Y C -1.095 174.772 175.900 -0.055 0.000 1.055 468 Y CA -1.522 56.325 58.100 -0.421 0.000 1.020 468 Y CB 1.415 39.049 38.460 -1.377 0.000 1.301 468 Y HN 0.617 nan 8.280 nan 0.000 0.453 469 Q N 3.918 123.816 119.800 0.164 0.000 2.267 469 Q HA 0.493 4.834 4.340 0.001 0.000 0.255 469 Q C -1.629 174.436 176.000 0.108 0.000 0.923 469 Q CA -0.571 55.295 55.803 0.106 0.000 0.925 469 Q CB 1.071 29.878 28.738 0.115 0.000 1.195 469 Q HN 0.970 nan 8.270 nan 0.000 0.417 470 L N 4.268 125.553 121.223 0.103 0.000 2.295 470 L HA 0.484 4.825 4.340 0.001 0.000 0.285 470 L C -0.544 176.363 176.870 0.061 0.000 1.035 470 L CA -0.641 54.272 54.840 0.122 0.000 0.806 470 L CB 1.308 43.409 42.059 0.069 0.000 1.214 470 L HN 0.608 nan 8.230 nan 0.000 0.426 471 R N 2.410 122.927 120.500 0.029 0.000 2.360 471 R HA 0.349 4.689 4.340 0.001 0.000 0.318 471 R C -0.993 174.978 176.300 -0.549 0.000 0.950 471 R CA -0.287 55.561 56.100 -0.419 0.000 0.837 471 R CB 1.469 31.621 30.300 -0.246 0.000 1.165 471 R HN 0.572 nan 8.270 nan 0.000 0.458 472 c N 4.502 122.565 118.600 -0.895 0.000 2.281 472 c HA 0.526 5.097 4.570 0.001 0.000 0.325 472 c C 0.176 173.823 174.090 -0.739 0.000 1.282 472 c CA -0.595 55.219 56.329 -0.859 0.000 1.640 472 c CB -0.689 41.333 42.510 -0.812 0.000 2.288 472 c HN 0.979 nan 8.230 nan 0.000 0.507 473 F N 4.071 123.889 119.950 -0.220 0.000 2.678 473 F HA 0.486 5.013 4.527 0.001 0.000 0.305 473 F C 1.496 177.274 175.800 -0.036 0.000 1.090 473 F CA 0.814 58.767 58.000 -0.077 0.000 1.272 473 F CB 0.453 39.450 39.000 -0.004 0.000 1.060 473 F HN 1.028 nan 8.300 nan 0.000 0.576 474 G N -0.035 108.799 108.800 0.058 0.000 2.341 474 G HA2 0.100 4.060 3.960 0.001 0.000 0.293 474 G HA3 0.100 4.060 3.960 0.001 0.000 0.293 474 G C -2.511 172.405 174.900 0.027 0.000 1.298 474 G CA -0.611 44.531 45.100 0.070 0.000 0.868 474 G HN -0.316 nan 8.290 nan 0.000 0.540 475 P HA 0.125 nan 4.420 nan 0.000 0.229 475 P C 1.389 178.759 177.300 0.116 0.000 1.160 475 P CA 1.460 64.613 63.100 0.087 0.000 0.777 475 P CB 0.132 31.867 31.700 0.059 0.000 0.814 476 G N 0.531 109.333 108.800 0.005 0.000 2.570 476 G HA2 0.311 4.271 3.960 0.001 0.000 0.276 476 G HA3 0.311 4.271 3.960 0.001 0.000 0.276 476 G C -0.131 174.595 174.900 -0.290 0.000 1.346 476 G CA -0.679 44.363 45.100 -0.097 0.000 1.034 476 G HN 0.050 nan 8.290 nan 0.000 0.512 477 L N 1.030 121.976 121.223 -0.462 0.000 2.490 477 L HA 0.118 4.459 4.340 0.001 0.000 0.274 477 L C -1.858 174.817 176.870 -0.324 0.000 1.201 477 L CA -1.217 53.255 54.840 -0.613 0.000 0.869 477 L CB 0.381 42.172 42.059 -0.445 0.000 1.123 477 L HN 0.239 nan 8.230 nan 0.000 0.484 478 P HA -0.016 nan 4.420 nan 0.000 0.261 478 P C -0.825 176.379 177.300 -0.159 0.000 1.173 478 P CA 0.153 63.143 63.100 -0.184 0.000 0.760 478 P CB 0.460 32.183 31.700 0.038 0.000 0.783 479 L N 5.833 126.856 121.223 -0.333 0.000 2.372 479 L HA 0.476 4.816 4.340 0.001 0.000 0.274 479 L C -1.724 174.946 176.870 -0.333 0.000 0.988 479 L CA -0.630 54.086 54.840 -0.206 0.000 0.833 479 L CB 0.821 42.782 42.059 -0.164 0.000 1.236 479 L HN 0.196 nan 8.230 nan 0.000 0.410 480 Y N 3.182 123.391 120.300 -0.151 0.000 2.334 480 Y HA 0.713 5.264 4.550 0.001 0.000 0.336 480 Y C 0.562 176.336 175.900 -0.209 0.000 0.960 480 Y CA -0.458 57.546 58.100 -0.160 0.000 1.164 480 Y CB 1.855 40.230 38.460 -0.142 0.000 1.155 480 Y HN 0.699 nan 8.280 nan 0.000 0.478 481 T N 0.819 115.352 114.554 -0.035 0.000 2.916 481 T HA 0.741 5.091 4.350 0.001 0.000 0.292 481 T C -1.365 173.268 174.700 -0.111 0.000 1.064 481 T CA -0.952 61.088 62.100 -0.100 0.000 1.011 481 T CB 2.055 70.922 68.868 -0.003 0.000 1.152 481 T HN 0.417 nan 8.240 nan 0.000 0.510 482 L N 1.064 122.137 121.223 -0.250 0.000 2.346 482 L HA 0.746 5.087 4.340 0.001 0.000 0.276 482 L C -1.288 175.333 176.870 -0.415 0.000 1.006 482 L CA -0.300 54.407 54.840 -0.221 0.000 0.817 482 L CB 1.461 43.400 42.059 -0.201 0.000 1.272 482 L HN 0.877 nan 8.230 nan 0.000 0.421 483 H N 1.145 119.961 119.070 -0.424 0.000 2.865 483 H HA 0.602 5.158 4.556 0.001 0.000 0.372 483 H C -1.035 174.067 175.328 -0.377 0.000 1.173 483 H CA -0.571 55.145 56.048 -0.553 0.000 1.147 483 H CB 2.073 31.183 29.762 -1.086 0.000 1.805 483 H HN 0.532 nan 8.280 nan 0.000 0.553 484 S N 0.040 115.706 115.700 -0.057 0.000 2.489 484 S HA 0.240 4.710 4.470 0.001 0.000 0.291 484 S C 0.588 175.205 174.600 0.028 0.000 1.151 484 S CA -0.551 57.665 58.200 0.026 0.000 1.082 484 S CB 0.865 64.120 63.200 0.091 0.000 1.019 484 S HN 0.651 nan 8.310 nan 0.000 0.492 485 S N 2.845 118.546 115.700 0.001 0.000 2.414 485 S HA -0.070 4.400 4.470 0.001 0.000 0.227 485 S C 2.054 176.689 174.600 0.058 0.000 1.022 485 S CA 1.186 59.476 58.200 0.149 0.000 0.958 485 S CB -0.202 63.071 63.200 0.122 0.000 0.797 485 S HN 0.883 nan 8.310 nan 0.000 0.493 486 S N 1.855 117.547 115.700 -0.014 0.000 2.387 486 S HA -0.039 4.432 4.470 0.001 0.000 0.226 486 S C 1.824 176.435 174.600 0.017 0.000 1.026 486 S CA 1.095 59.299 58.200 0.006 0.000 0.972 486 S CB -0.333 62.857 63.200 -0.015 0.000 0.814 486 S HN 0.583 nan 8.310 nan 0.000 0.477 487 S N -0.007 115.705 115.700 0.021 0.000 2.559 487 S HA 0.210 4.680 4.470 0.001 0.000 0.226 487 S C 0.085 174.704 174.600 0.032 0.000 1.030 487 S CA 0.293 58.508 58.200 0.024 0.000 0.956 487 S CB -0.023 63.192 63.200 0.025 0.000 0.900 487 S HN 0.237 nan 8.310 nan 0.000 0.510 488 D N 0.413 120.849 120.400 0.059 0.000 3.077 488 D HA -0.155 4.485 4.640 0.001 0.000 0.217 488 D C -0.043 176.319 176.300 0.103 0.000 1.162 488 D CA 1.283 55.339 54.000 0.093 0.000 0.943 488 D CB -1.291 39.535 40.800 0.042 0.000 1.122 488 D HN 0.517 nan 8.370 nan 0.000 0.413 489 K N 1.100 121.532 120.400 0.052 0.000 2.249 489 K HA 0.171 4.491 4.320 0.001 0.000 0.280 489 K C 0.188 176.726 176.600 -0.103 0.000 1.033 489 K CA -0.240 56.048 56.287 0.002 0.000 0.946 489 K CB 0.760 33.252 32.500 -0.014 0.000 1.005 489 K HN -0.018 nan 8.250 nan 0.000 0.469 490 E N 4.723 124.798 120.200 -0.207 0.000 2.081 490 E HA -0.044 4.306 4.350 0.001 0.000 0.270 490 E C 0.381 176.773 176.600 -0.346 0.000 1.180 490 E CA -0.293 55.767 56.400 -0.568 0.000 0.926 490 E CB 0.402 29.864 29.700 -0.397 0.000 1.035 490 E HN 0.494 nan 8.360 nan 0.000 0.418 491 L N 4.869 125.883 121.223 -0.349 0.000 2.005 491 L HA -0.075 4.265 4.340 0.001 0.000 0.207 491 L C 1.212 177.978 176.870 -0.173 0.000 1.072 491 L CA 1.685 56.413 54.840 -0.187 0.000 0.744 491 L CB -0.671 41.307 42.059 -0.134 0.000 0.895 491 L HN 0.617 nan 8.230 nan 0.000 0.433 492 R N -2.664 117.700 120.500 -0.226 0.000 2.716 492 R HA 0.539 4.879 4.340 0.001 0.000 0.271 492 R C -1.656 174.501 176.300 -0.239 0.000 1.028 492 R CA -0.830 55.153 56.100 -0.195 0.000 0.883 492 R CB 1.396 31.599 30.300 -0.161 0.000 1.250 492 R HN -0.273 nan 8.270 nan 0.000 0.465 493 V N 3.229 123.022 119.914 -0.202 0.000 2.383 493 V HA 0.203 4.323 4.120 0.001 0.000 0.275 493 V C 1.142 177.066 176.094 -0.284 0.000 1.036 493 V CA -0.477 61.700 62.300 -0.205 0.000 0.889 493 V CB 1.148 32.890 31.823 -0.135 0.000 0.985 493 V HN 0.675 nan 8.190 nan 0.000 0.459 494 L N 2.629 123.605 121.223 -0.411 0.000 2.168 494 L HA 0.313 4.654 4.340 0.001 0.000 0.203 494 L C 0.736 177.335 176.870 -0.452 0.000 1.078 494 L CA 0.715 55.101 54.840 -0.757 0.000 0.780 494 L CB 0.185 41.358 42.059 -1.477 0.000 0.939 494 L HN 0.636 nan 8.230 nan 0.000 0.451 495 E N -0.124 119.952 120.200 -0.207 0.000 2.311 495 E HA 0.122 4.472 4.350 0.001 0.000 0.281 495 E C -1.238 175.376 176.600 0.025 0.000 0.905 495 E CA -0.381 55.995 56.400 -0.039 0.000 0.778 495 E CB 1.258 30.957 29.700 -0.001 0.000 1.240 495 E HN 0.180 nan 8.360 nan 0.000 0.410 496 D N 2.786 123.180 120.400 -0.009 0.000 2.433 496 D HA 0.149 4.790 4.640 0.001 0.000 0.211 496 D C -0.211 176.075 176.300 -0.023 0.000 1.114 496 D CA -0.276 53.711 54.000 -0.021 0.000 0.837 496 D CB -0.026 40.748 40.800 -0.042 0.000 0.984 496 D HN 0.486 nan 8.370 nan 0.000 0.505 497 N N 0.422 119.119 118.700 -0.005 0.000 2.708 497 N HA -0.225 4.516 4.740 0.001 0.000 0.249 497 N C 0.802 176.299 175.510 -0.022 0.000 1.097 497 N CA 0.868 53.911 53.050 -0.012 0.000 0.710 497 N CB -0.947 37.526 38.487 -0.023 0.000 1.032 497 N HN 0.482 nan 8.380 nan 0.000 0.551 498 S N -1.133 114.555 115.700 -0.020 0.000 2.423 498 S HA -0.008 4.462 4.470 0.001 0.000 0.231 498 S C 2.107 176.706 174.600 -0.002 0.000 1.014 498 S CA 0.797 58.988 58.200 -0.016 0.000 0.965 498 S CB -0.048 63.142 63.200 -0.017 0.000 0.785 498 S HN 0.502 nan 8.310 nan 0.000 0.495 499 A N 1.853 124.674 122.820 0.001 0.000 1.902 499 A HA 0.077 4.397 4.320 0.001 0.000 0.217 499 A C 2.203 179.807 177.584 0.033 0.000 1.181 499 A CA 1.529 53.571 52.037 0.009 0.000 0.623 499 A CB -0.817 18.182 19.000 -0.002 0.000 0.818 499 A HN 0.505 nan 8.150 nan 0.000 0.443 500 L N -0.291 120.959 121.223 0.046 0.000 2.156 500 L HA -0.110 4.231 4.340 0.001 0.000 0.208 500 L C 1.921 178.851 176.870 0.100 0.000 1.095 500 L CA 2.036 56.938 54.840 0.104 0.000 0.770 500 L CB -0.397 41.727 42.059 0.109 0.000 0.914 500 L HN 0.403 nan 8.230 nan 0.000 0.439 501 D N -0.385 120.036 120.400 0.035 0.000 2.149 501 D HA -0.248 4.392 4.640 0.001 0.000 0.198 501 D C 2.035 178.367 176.300 0.052 0.000 0.990 501 D CA 0.986 54.999 54.000 0.022 0.000 0.839 501 D CB 0.334 41.128 40.800 -0.010 0.000 0.948 501 D HN 0.187 nan 8.370 nan 0.000 0.460 502 K N 0.088 120.521 120.400 0.054 0.000 2.103 502 K HA 0.025 4.346 4.320 0.001 0.000 0.204 502 K C 2.228 178.885 176.600 0.096 0.000 1.052 502 K CA 0.775 57.096 56.287 0.057 0.000 0.945 502 K CB -0.210 32.311 32.500 0.035 0.000 0.722 502 K HN 0.111 nan 8.250 nan 0.000 0.443 503 M N -0.295 119.386 119.600 0.136 0.000 2.254 503 M HA -0.054 4.426 4.480 0.001 0.000 0.265 503 M C 1.559 178.100 176.300 0.402 0.000 1.066 503 M CA 1.197 56.631 55.300 0.224 0.000 1.123 503 M CB 0.012 32.727 32.600 0.192 0.000 1.388 503 M HN 0.093 nan 8.290 nan 0.000 0.425 504 L N -0.218 121.186 121.223 0.301 0.000 2.446 504 L HA -0.118 4.223 4.340 0.001 0.000 0.219 504 L C 2.360 179.308 176.870 0.130 0.000 1.116 504 L CA 0.507 55.476 54.840 0.215 0.000 0.844 504 L CB -0.293 41.846 42.059 0.134 0.000 0.970 504 L HN 0.411 nan 8.230 nan 0.000 0.457 505 Q N -1.418 118.451 119.800 0.115 0.000 2.432 505 Q HA -0.073 4.267 4.340 0.001 0.000 0.205 505 Q C 0.617 176.674 176.000 0.094 0.000 0.945 505 Q CA 0.668 56.521 55.803 0.083 0.000 0.924 505 Q CB 0.001 28.776 28.738 0.062 0.000 1.016 505 Q HN 0.363 nan 8.270 nan 0.000 0.503 506 D N 0.902 121.379 120.400 0.129 0.000 2.336 506 D HA 0.174 4.815 4.640 0.001 0.000 0.228 506 D C -0.870 175.524 176.300 0.158 0.000 1.120 506 D CA 0.141 54.219 54.000 0.129 0.000 0.839 506 D CB 1.081 41.957 40.800 0.126 0.000 0.932 506 D HN 0.011 nan 8.370 nan 0.000 0.509 507 V N 0.644 120.645 119.914 0.145 0.000 3.012 507 V HA 0.151 4.272 4.120 0.001 0.000 0.307 507 V C -1.182 174.942 176.094 0.050 0.000 1.166 507 V CA -0.725 61.650 62.300 0.124 0.000 0.974 507 V CB 2.640 34.560 31.823 0.161 0.000 1.040 507 V HN -0.150 nan 8.190 nan 0.000 0.428 508 Q N 4.980 124.795 119.800 0.024 0.000 2.348 508 Q HA 0.351 4.692 4.340 0.001 0.000 0.251 508 Q C -0.562 175.394 176.000 -0.073 0.000 1.113 508 Q CA -0.064 55.712 55.803 -0.045 0.000 0.902 508 Q CB 0.737 29.427 28.738 -0.080 0.000 1.333 508 Q HN 0.492 nan 8.270 nan 0.000 0.457 509 M N 4.789 124.338 119.600 -0.085 0.000 2.233 509 M HA 0.383 4.864 4.480 0.001 0.000 0.355 509 M C -2.061 174.158 176.300 -0.134 0.000 1.191 509 M CA -2.606 52.626 55.300 -0.114 0.000 1.101 509 M CB 0.703 33.255 32.600 -0.081 0.000 1.592 509 M HN 0.387 nan 8.290 nan 0.000 0.461 510 P HA 0.240 nan 4.420 nan 0.000 0.274 510 P C -0.851 176.355 177.300 -0.157 0.000 1.246 510 P CA -0.363 62.629 63.100 -0.181 0.000 0.795 510 P CB 0.469 32.039 31.700 -0.215 0.000 1.006 511 S N -0.447 115.152 115.700 -0.169 0.000 2.537 511 S HA 0.543 5.014 4.470 0.001 0.000 0.301 511 S C -0.440 174.062 174.600 -0.163 0.000 1.092 511 S CA -0.843 57.275 58.200 -0.137 0.000 1.048 511 S CB 1.635 64.765 63.200 -0.116 0.000 1.053 511 S HN 0.445 nan 8.310 nan 0.000 0.501 512 K N 1.454 121.784 120.400 -0.117 0.000 2.265 512 K HA 0.361 4.682 4.320 0.001 0.000 0.267 512 K C -0.967 175.580 176.600 -0.088 0.000 0.994 512 K CA -0.488 55.733 56.287 -0.111 0.000 0.860 512 K CB 0.754 33.203 32.500 -0.085 0.000 1.099 512 K HN 0.518 nan 8.250 nan 0.000 0.448 513 K N 5.261 125.594 120.400 -0.111 0.000 2.339 513 K HA 0.299 4.620 4.320 0.001 0.000 0.264 513 K C -1.233 175.306 176.600 -0.102 0.000 0.986 513 K CA -0.820 55.410 56.287 -0.095 0.000 0.866 513 K CB 0.958 33.385 32.500 -0.122 0.000 1.103 513 K HN 0.547 nan 8.250 nan 0.000 0.441 514 L N 4.310 125.510 121.223 -0.039 0.000 2.264 514 L HA 0.270 4.610 4.340 0.001 0.000 0.287 514 L C 0.385 177.265 176.870 0.018 0.000 1.039 514 L CA 0.113 54.967 54.840 0.022 0.000 0.829 514 L CB 0.843 42.989 42.059 0.145 0.000 1.211 514 L HN 0.550 nan 8.230 nan 0.000 0.427 515 D N 1.483 121.667 120.400 -0.359 0.000 2.712 515 D HA 0.600 5.240 4.640 0.001 0.000 0.252 515 D C -1.257 174.724 176.300 -0.531 0.000 1.123 515 D CA -0.349 53.389 54.000 -0.437 0.000 1.109 515 D CB 2.668 43.224 40.800 -0.407 0.000 1.313 515 D HN 0.088 nan 8.370 nan 0.000 0.629 516 V N 0.894 120.652 119.914 -0.260 0.000 2.841 516 V HA 0.525 4.646 4.120 0.001 0.000 0.310 516 V C -0.675 175.570 176.094 0.252 0.000 1.090 516 V CA -0.583 61.616 62.300 -0.168 0.000 0.930 516 V CB 2.092 33.537 31.823 -0.631 0.000 1.014 516 V HN 0.432 nan 8.190 nan 0.000 0.425 517 I N 1.468 122.225 120.570 0.312 0.000 2.865 517 I HA 0.667 4.838 4.170 0.001 0.000 0.302 517 I C -0.697 175.517 176.117 0.162 0.000 1.140 517 I CA -0.830 60.589 61.300 0.197 0.000 1.021 517 I CB 2.349 40.404 38.000 0.092 0.000 1.233 517 I HN 0.399 nan 8.210 nan 0.000 0.427 518 N N 3.818 122.560 118.700 0.069 0.000 2.434 518 N HA 0.626 5.366 4.740 0.001 0.000 0.272 518 N C -1.447 174.093 175.510 0.049 0.000 1.040 518 N CA -0.284 52.801 53.050 0.059 0.000 0.956 518 N CB 1.172 39.661 38.487 0.003 0.000 1.108 518 N HN 0.507 nan 8.380 nan 0.000 0.481 519 L N 3.296 124.620 121.223 0.168 0.000 2.372 519 L HA 0.322 4.663 4.340 0.001 0.000 0.274 519 L C -0.402 176.477 176.870 0.016 0.000 0.988 519 L CA -0.723 54.098 54.840 -0.032 0.000 0.833 519 L CB 1.018 43.134 42.059 0.094 0.000 1.236 519 L HN 0.867 nan 8.230 nan 0.000 0.410 520 H N 1.940 121.077 119.070 0.111 0.000 2.713 520 H HA -0.205 4.352 4.556 0.001 0.000 0.311 520 H C 1.241 176.605 175.328 0.060 0.000 1.175 520 H CA 0.827 56.914 56.048 0.065 0.000 1.143 520 H CB -1.326 28.459 29.762 0.039 0.000 1.434 520 H HN 1.084 nan 8.280 nan 0.000 0.418 521 G N -1.439 107.416 108.800 0.092 0.000 2.199 521 G HA2 -0.318 3.643 3.960 0.001 0.000 0.254 521 G HA3 -0.318 3.643 3.960 0.001 0.000 0.254 521 G C 0.321 175.228 174.900 0.011 0.000 0.982 521 G CA 0.389 45.517 45.100 0.047 0.000 0.632 521 G HN 0.751 nan 8.290 nan 0.000 0.529 522 T N 1.345 115.905 114.554 0.011 0.000 2.829 522 T HA 0.583 4.933 4.350 0.001 0.000 0.280 522 T C -0.021 174.496 174.700 -0.306 0.000 0.999 522 T CA -0.435 61.553 62.100 -0.186 0.000 0.983 522 T CB 1.911 70.593 68.868 -0.311 0.000 0.968 522 T HN 0.594 nan 8.240 nan 0.000 0.446 523 K N 2.355 122.549 120.400 -0.343 0.000 2.258 523 K HA 0.529 4.850 4.320 0.001 0.000 0.284 523 K C -1.355 174.993 176.600 -0.421 0.000 1.051 523 K CA -0.464 55.669 56.287 -0.257 0.000 0.923 523 K CB 0.506 32.897 32.500 -0.182 0.000 1.046 523 K HN 0.413 nan 8.250 nan 0.000 0.474 524 F N 1.469 121.477 119.950 0.096 0.000 2.522 524 F HA 0.391 4.919 4.527 0.001 0.000 0.324 524 F C -0.421 175.477 175.800 0.164 0.000 1.077 524 F CA -0.927 57.161 58.000 0.147 0.000 0.944 524 F CB 1.171 40.251 39.000 0.133 0.000 1.175 524 F HN 0.497 nan 8.300 nan 0.000 0.468 525 W N 2.428 123.924 121.300 0.327 0.000 2.316 525 W HA 0.482 5.143 4.660 0.001 0.000 0.321 525 W C -0.785 175.980 176.519 0.409 0.000 1.203 525 W CA -0.432 57.086 57.345 0.288 0.000 1.214 525 W CB 0.676 30.229 29.460 0.154 0.000 1.169 525 W HN 0.400 nan 8.180 nan 0.000 0.561 526 Y N 0.228 120.860 120.300 0.552 0.000 2.562 526 Y HA 0.584 5.134 4.550 0.001 0.000 0.345 526 Y C -0.841 175.263 175.900 0.340 0.000 1.045 526 Y CA -1.782 56.635 58.100 0.529 0.000 1.028 526 Y CB 1.075 39.999 38.460 0.774 0.000 1.297 526 Y HN 0.574 nan 8.280 nan 0.000 0.463 527 Q N 3.537 123.517 119.800 0.301 0.000 2.348 527 Q HA 0.766 5.107 4.340 0.001 0.000 0.271 527 Q C -1.547 174.514 176.000 0.103 0.000 1.067 527 Q CA -1.183 54.679 55.803 0.099 0.000 0.839 527 Q CB 3.086 31.871 28.738 0.079 0.000 1.354 527 Q HN 0.850 nan 8.270 nan 0.000 0.447 528 M N 2.962 122.549 119.600 -0.021 0.000 2.165 528 M HA 0.391 4.872 4.480 0.001 0.000 0.283 528 M C -1.125 175.076 176.300 -0.165 0.000 0.978 528 M CA -0.787 54.456 55.300 -0.096 0.000 0.948 528 M CB 2.051 34.565 32.600 -0.143 0.000 1.599 528 M HN 0.638 nan 8.290 nan 0.000 0.450 529 I N 5.283 125.760 120.570 -0.155 0.000 2.347 529 I HA 0.245 4.415 4.170 0.001 0.000 0.294 529 I C -0.376 175.564 176.117 -0.294 0.000 1.090 529 I CA -0.066 61.114 61.300 -0.199 0.000 1.314 529 I CB -0.270 37.635 38.000 -0.159 0.000 1.423 529 I HN 0.639 nan 8.210 nan 0.000 0.503 530 L N 8.771 129.766 121.223 -0.381 0.000 2.295 530 L HA 0.448 4.788 4.340 0.001 0.000 0.285 530 L C -2.175 174.439 176.870 -0.427 0.000 1.035 530 L CA -1.780 52.711 54.840 -0.582 0.000 0.806 530 L CB 1.287 42.811 42.059 -0.892 0.000 1.214 530 L HN 0.297 nan 8.230 nan 0.000 0.426 531 P HA 0.074 nan 4.420 nan 0.000 0.268 531 P C -2.492 174.717 177.300 -0.152 0.000 1.208 531 P CA -0.870 62.090 63.100 -0.233 0.000 0.777 531 P CB -0.185 31.412 31.700 -0.172 0.000 0.875 532 P HA -0.008 nan 4.420 nan 0.000 0.266 532 P C -0.615 176.607 177.300 -0.131 0.000 1.195 532 P CA 0.439 63.405 63.100 -0.224 0.000 0.768 532 P CB -0.355 31.138 31.700 -0.346 0.000 0.838 533 H N -1.064 118.042 119.070 0.059 0.000 2.672 533 H HA -0.219 4.337 4.556 0.001 0.000 0.325 533 H C -0.207 175.195 175.328 0.123 0.000 1.158 533 H CA -0.525 55.567 56.048 0.073 0.000 1.134 533 H CB -1.991 27.805 29.762 0.058 0.000 1.553 533 H HN 0.321 nan 8.280 nan 0.000 0.419 534 F N 2.545 122.505 119.950 0.018 0.000 2.557 534 F HA 0.116 4.643 4.527 0.001 0.000 0.384 534 F C 0.448 176.261 175.800 0.022 0.000 1.057 534 F CA -0.554 57.397 58.000 -0.081 0.000 1.169 534 F CB 0.389 39.232 39.000 -0.261 0.000 1.070 534 F HN 0.297 nan 8.300 nan 0.000 0.554 535 D N 5.380 125.621 120.400 -0.265 0.000 2.280 535 D HA 0.172 4.812 4.640 0.001 0.000 0.236 535 D C 0.620 176.625 176.300 -0.492 0.000 1.082 535 D CA -0.310 53.522 54.000 -0.280 0.000 0.834 535 D CB 1.701 42.478 40.800 -0.038 0.000 1.100 535 D HN 0.563 nan 8.370 nan 0.000 0.486 536 K N 0.703 120.828 120.400 -0.458 0.000 2.217 536 K HA -0.075 4.246 4.320 0.001 0.000 0.202 536 K C 1.915 178.506 176.600 -0.015 0.000 1.051 536 K CA 0.941 57.075 56.287 -0.255 0.000 0.952 536 K CB 0.189 32.618 32.500 -0.117 0.000 0.736 536 K HN 0.372 nan 8.250 nan 0.000 0.453 537 S N 0.126 115.797 115.700 -0.048 0.000 2.461 537 S HA -0.011 4.460 4.470 0.001 0.000 0.228 537 S C 0.863 175.445 174.600 -0.030 0.000 1.005 537 S CA 0.161 58.349 58.200 -0.021 0.000 0.942 537 S CB -0.028 63.152 63.200 -0.034 0.000 0.776 537 S HN 0.045 nan 8.310 nan 0.000 0.514 538 K N 1.968 122.334 120.400 -0.057 0.000 2.270 538 K HA 0.238 4.559 4.320 0.001 0.000 0.276 538 K C -0.575 175.959 176.600 -0.110 0.000 1.023 538 K CA -0.097 56.097 56.287 -0.155 0.000 0.955 538 K CB 0.503 32.817 32.500 -0.310 0.000 0.975 538 K HN 0.088 nan 8.250 nan 0.000 0.471 539 K N 3.282 123.576 120.400 -0.177 0.000 2.234 539 K HA 0.194 4.514 4.320 0.001 0.000 0.277 539 K C -1.239 175.252 176.600 -0.182 0.000 1.038 539 K CA -0.495 55.753 56.287 -0.065 0.000 0.888 539 K CB 0.744 33.209 32.500 -0.058 0.000 1.091 539 K HN 0.419 nan 8.250 nan 0.000 0.467 540 Y N 3.347 123.690 120.300 0.071 0.000 2.420 540 Y HA 0.286 4.837 4.550 0.001 0.000 0.334 540 Y C -1.921 173.926 175.900 -0.088 0.000 1.094 540 Y CA -2.622 55.488 58.100 0.017 0.000 1.126 540 Y CB 0.974 39.501 38.460 0.111 0.000 1.217 540 Y HN 0.505 nan 8.280 nan 0.000 0.462 541 P HA 0.113 nan 4.420 nan 0.000 0.275 541 P C -0.905 176.264 177.300 -0.218 0.000 1.228 541 P CA -0.071 62.763 63.100 -0.443 0.000 0.786 541 P CB 1.405 32.421 31.700 -1.140 0.000 0.927 542 L N 3.147 124.294 121.223 -0.125 0.000 2.329 542 L HA 0.478 4.819 4.340 0.001 0.000 0.279 542 L C -0.535 176.541 176.870 0.343 0.000 1.014 542 L CA -1.190 53.716 54.840 0.110 0.000 0.814 542 L CB 1.631 43.759 42.059 0.116 0.000 1.257 542 L HN 0.266 nan 8.230 nan 0.000 0.424 543 L N 5.812 127.236 121.223 0.335 0.000 2.343 543 L HA 0.485 4.825 4.340 0.001 0.000 0.278 543 L C -0.723 176.375 176.870 0.380 0.000 0.996 543 L CA -0.258 54.832 54.840 0.417 0.000 0.831 543 L CB 1.329 43.600 42.059 0.354 0.000 1.232 543 L HN 0.329 nan 8.230 nan 0.000 0.413 544 I N 4.058 124.900 120.570 0.452 0.000 2.337 544 I HA 0.249 4.420 4.170 0.001 0.000 0.291 544 I C 0.342 176.685 176.117 0.376 0.000 1.046 544 I CA 0.036 61.584 61.300 0.415 0.000 1.324 544 I CB 0.882 39.171 38.000 0.482 0.000 1.409 544 I HN 0.724 nan 8.210 nan 0.000 0.494 545 E N 5.646 126.034 120.200 0.313 0.000 2.115 545 E HA 0.421 4.771 4.350 0.001 0.000 0.282 545 E C -1.278 175.393 176.600 0.118 0.000 0.987 545 E CA -0.335 56.165 56.400 0.166 0.000 0.797 545 E CB 1.625 31.474 29.700 0.249 0.000 1.086 545 E HN 0.432 nan 8.360 nan 0.000 0.397 546 V N 5.685 125.609 119.914 0.017 0.000 2.680 546 V HA 0.301 4.422 4.120 0.001 0.000 0.309 546 V C -1.060 175.127 176.094 0.155 0.000 1.052 546 V CA -0.271 62.101 62.300 0.119 0.000 0.908 546 V CB 1.536 33.434 31.823 0.124 0.000 1.001 546 V HN 0.889 nan 8.190 nan 0.000 0.431 547 Y N 5.225 125.585 120.300 0.101 0.000 2.740 547 Y HA 0.542 5.093 4.550 0.001 0.000 0.257 547 Y C 1.601 177.638 175.900 0.229 0.000 1.064 547 Y CA 1.329 59.520 58.100 0.152 0.000 1.351 547 Y CB 0.161 38.690 38.460 0.115 0.000 1.439 547 Y HN 0.988 nan 8.280 nan 0.000 0.488 548 A N 0.613 123.565 122.820 0.221 0.000 2.899 548 A HA -0.159 4.161 4.320 0.001 0.000 0.257 548 A C 0.962 178.452 177.584 -0.157 0.000 1.335 548 A CA 0.843 52.948 52.037 0.113 0.000 0.924 548 A CB -2.456 16.656 19.000 0.186 0.000 1.105 548 A HN 0.901 nan 8.150 nan 0.000 0.765 549 G N -0.242 108.263 108.800 -0.492 0.000 2.527 549 G HA2 0.487 4.447 3.960 0.001 0.000 0.248 549 G HA3 0.487 4.447 3.960 0.001 0.000 0.248 549 G C -1.783 172.835 174.900 -0.470 0.000 1.231 549 G CA -0.561 43.872 45.100 -1.111 0.000 0.838 549 G HN 0.393 nan 8.290 nan 0.000 0.570 550 P HA 0.053 nan 4.420 nan 0.000 0.265 550 P C 0.517 177.624 177.300 -0.322 0.000 1.193 550 P CA 0.099 62.892 63.100 -0.512 0.000 0.765 550 P CB 0.499 31.443 31.700 -1.260 0.000 0.823 551 C N 0.805 120.012 119.300 -0.156 0.000 4.326 551 C HA -0.132 4.328 4.460 0.001 0.000 0.284 551 C C 1.121 176.147 174.990 0.060 0.000 1.419 551 C CA 0.974 59.874 59.018 -0.197 0.000 1.920 551 C CB -3.421 23.950 27.740 -0.615 0.000 1.306 551 C HN 0.820 nan 8.230 nan 0.000 0.786 552 S N -0.553 115.270 115.700 0.206 0.000 2.681 552 S HA 0.725 5.196 4.470 0.001 0.000 0.299 552 S C -0.939 173.876 174.600 0.358 0.000 1.113 552 S CA -0.352 58.080 58.200 0.387 0.000 1.013 552 S CB 2.255 65.745 63.200 0.483 0.000 1.076 552 S HN 0.601 nan 8.310 nan 0.000 0.534 553 Q N 0.308 120.317 119.800 0.348 0.000 2.269 553 Q HA 0.394 4.735 4.340 0.001 0.000 0.263 553 Q C -0.477 175.616 176.000 0.155 0.000 0.983 553 Q CA -0.599 55.360 55.803 0.261 0.000 0.777 553 Q CB 1.467 30.356 28.738 0.251 0.000 1.273 553 Q HN 0.777 nan 8.270 nan 0.000 0.440 554 K N 2.168 122.660 120.400 0.154 0.000 2.354 554 K HA 0.208 4.528 4.320 0.001 0.000 0.194 554 K C -0.420 176.243 176.600 0.105 0.000 1.038 554 K CA 0.320 56.680 56.287 0.121 0.000 1.052 554 K CB 1.065 33.670 32.500 0.175 0.000 0.861 554 K HN 0.427 nan 8.250 nan 0.000 0.535 555 V N 4.049 124.036 119.914 0.122 0.000 2.311 555 V HA 0.144 4.264 4.120 0.001 0.000 0.275 555 V C -0.605 175.520 176.094 0.051 0.000 1.022 555 V CA -0.652 61.719 62.300 0.120 0.000 0.830 555 V CB 1.040 32.992 31.823 0.215 0.000 1.012 555 V HN 0.269 nan 8.190 nan 0.000 0.452 556 D N 2.424 122.826 120.400 0.004 0.000 2.752 556 D HA 0.318 4.958 4.640 0.001 0.000 0.313 556 D C 0.426 176.701 176.300 -0.042 0.000 1.225 556 D CA -0.110 53.876 54.000 -0.023 0.000 0.976 556 D CB 1.476 42.242 40.800 -0.057 0.000 1.443 556 D HN 0.337 nan 8.370 nan 0.000 0.515 557 T N -2.289 112.260 114.554 -0.007 0.000 3.243 557 T HA 0.366 4.716 4.350 0.001 0.000 0.264 557 T C 0.187 174.854 174.700 -0.056 0.000 1.000 557 T CA -0.454 61.651 62.100 0.007 0.000 0.901 557 T CB -0.820 68.096 68.868 0.081 0.000 1.083 557 T HN 0.269 nan 8.240 nan 0.000 0.559 558 V N 2.654 122.418 119.914 -0.249 0.000 2.508 558 V HA 0.302 4.423 4.120 0.001 0.000 0.281 558 V C 0.220 176.284 176.094 -0.051 0.000 1.041 558 V CA -1.006 61.140 62.300 -0.256 0.000 1.016 558 V CB -0.133 31.394 31.823 -0.494 0.000 0.984 558 V HN 0.615 nan 8.190 nan 0.000 0.478 559 F N 6.599 126.511 119.950 -0.063 0.000 2.506 559 F HA 0.392 4.920 4.527 0.001 0.000 0.371 559 F C 0.634 176.425 175.800 -0.015 0.000 1.078 559 F CA 0.150 58.129 58.000 -0.036 0.000 1.195 559 F CB 0.073 39.068 39.000 -0.010 0.000 1.099 559 F HN 0.414 nan 8.300 nan 0.000 0.548 560 R N 6.045 126.158 120.500 -0.644 0.000 2.514 560 R HA 0.383 4.723 4.340 0.001 0.000 0.296 560 R C -1.769 174.168 176.300 -0.606 0.000 1.012 560 R CA -1.102 54.741 56.100 -0.429 0.000 0.897 560 R CB 1.464 31.634 30.300 -0.217 0.000 1.184 560 R HN 0.467 nan 8.270 nan 0.000 0.440 561 L N 3.536 124.536 121.223 -0.370 0.000 2.302 561 L HA 0.290 4.631 4.340 0.001 0.000 0.285 561 L C 0.175 177.045 176.870 0.001 0.000 1.090 561 L CA 0.353 55.038 54.840 -0.258 0.000 0.866 561 L CB 0.385 42.445 42.059 0.002 0.000 1.244 561 L HN 0.705 nan 8.230 nan 0.000 0.435 562 S N 1.790 117.382 115.700 -0.180 0.000 2.823 562 S HA 0.316 4.787 4.470 0.001 0.000 0.316 562 S C 0.543 174.726 174.600 -0.695 0.000 1.116 562 S CA -0.658 57.361 58.200 -0.303 0.000 0.911 562 S CB 0.588 63.717 63.200 -0.118 0.000 1.276 562 S HN 0.502 nan 8.310 nan 0.000 0.565 563 W N 1.031 121.698 121.300 -1.056 0.000 2.402 563 W HA 0.212 4.872 4.660 0.001 0.000 0.286 563 W C 2.309 178.749 176.519 -0.132 0.000 1.221 563 W CA 1.445 58.371 57.345 -0.698 0.000 1.257 563 W CB -0.876 28.302 29.460 -0.471 0.000 1.120 563 W HN 0.819 nan 8.180 nan 0.000 0.551 564 A N -0.564 122.197 122.820 -0.098 0.000 1.969 564 A HA -0.149 4.172 4.320 0.001 0.000 0.218 564 A C 1.916 179.372 177.584 -0.215 0.000 1.169 564 A CA 2.181 54.117 52.037 -0.167 0.000 0.635 564 A CB -1.170 17.823 19.000 -0.010 0.000 0.810 564 A HN 0.255 nan 8.150 nan 0.000 0.445 565 T N -1.114 113.315 114.554 -0.209 0.000 2.746 565 T HA -0.200 4.151 4.350 0.001 0.000 0.267 565 T C 1.798 176.454 174.700 -0.073 0.000 1.039 565 T CA 1.729 63.668 62.100 -0.268 0.000 1.142 565 T CB -0.463 68.077 68.868 -0.547 0.000 0.866 565 T HN 0.719 nan 8.240 nan 0.000 0.444 566 Y N 1.849 122.147 120.300 -0.004 0.000 2.220 566 Y HA 0.073 4.624 4.550 0.001 0.000 0.291 566 Y C 1.879 177.716 175.900 -0.106 0.000 1.129 566 Y CA 0.821 58.970 58.100 0.081 0.000 1.161 566 Y CB -0.662 37.841 38.460 0.071 0.000 0.997 566 Y HN 0.097 nan 8.280 nan 0.000 0.522 567 L N 0.342 121.139 121.223 -0.710 0.000 2.141 567 L HA -0.134 4.206 4.340 0.001 0.000 0.209 567 L C 2.777 179.389 176.870 -0.431 0.000 1.094 567 L CA 1.166 55.530 54.840 -0.793 0.000 0.763 567 L CB -0.793 40.840 42.059 -0.710 0.000 0.908 567 L HN 0.411 nan 8.230 nan 0.000 0.437 568 A N -1.338 121.297 122.820 -0.308 0.000 1.898 568 A HA -0.146 4.174 4.320 0.001 0.000 0.214 568 A C 2.502 179.981 177.584 -0.175 0.000 1.183 568 A CA 1.596 53.500 52.037 -0.222 0.000 0.622 568 A CB -0.522 18.343 19.000 -0.226 0.000 0.824 568 A HN 0.305 nan 8.150 nan 0.000 0.444 569 S N -0.972 114.637 115.700 -0.152 0.000 2.345 569 S HA -0.110 4.360 4.470 0.001 0.000 0.220 569 S C 2.004 176.571 174.600 -0.056 0.000 1.031 569 S CA 2.246 60.401 58.200 -0.076 0.000 0.996 569 S CB -0.411 62.802 63.200 0.021 0.000 0.882 569 S HN 0.565 nan 8.310 nan 0.000 0.445 570 T N 1.235 115.734 114.554 -0.092 0.000 3.010 570 T HA 0.192 4.542 4.350 0.001 0.000 0.252 570 T C 1.426 176.056 174.700 -0.116 0.000 1.047 570 T CA 0.537 62.603 62.100 -0.057 0.000 1.140 570 T CB -0.080 68.820 68.868 0.052 0.000 0.885 570 T HN 0.312 nan 8.240 nan 0.000 0.464 571 E N 0.979 121.023 120.200 -0.260 0.000 2.472 571 E HA 0.170 4.520 4.350 0.001 0.000 0.196 571 E C 0.044 176.597 176.600 -0.078 0.000 1.033 571 E CA -0.056 56.227 56.400 -0.196 0.000 0.886 571 E CB -0.085 29.407 29.700 -0.347 0.000 0.944 571 E HN 0.333 nan 8.360 nan 0.000 0.492 572 N N 0.492 119.157 118.700 -0.058 0.000 2.740 572 N HA -0.184 4.557 4.740 0.001 0.000 0.248 572 N C -1.052 174.525 175.510 0.113 0.000 1.062 572 N CA 0.436 53.529 53.050 0.072 0.000 0.704 572 N CB -1.279 37.303 38.487 0.159 0.000 0.968 572 N HN 0.201 nan 8.380 nan 0.000 0.547 573 I N 0.548 121.108 120.570 -0.016 0.000 2.412 573 I HA 0.350 4.520 4.170 0.001 0.000 0.296 573 I C 0.672 176.749 176.117 -0.067 0.000 0.987 573 I CA -0.812 60.489 61.300 0.002 0.000 1.180 573 I CB 1.250 39.277 38.000 0.045 0.000 1.340 573 I HN 0.004 nan 8.210 nan 0.000 0.455 574 I N 6.328 126.868 120.570 -0.050 0.000 2.416 574 I HA 0.149 4.319 4.170 0.001 0.000 0.288 574 I C -0.422 175.676 176.117 -0.031 0.000 1.051 574 I CA -0.414 60.815 61.300 -0.119 0.000 1.375 574 I CB 0.912 38.842 38.000 -0.117 0.000 1.407 574 I HN 0.199 nan 8.210 nan 0.000 0.516 575 V N 6.830 126.709 119.914 -0.058 0.000 2.313 575 V HA 0.522 4.642 4.120 0.001 0.000 0.278 575 V C 0.453 176.567 176.094 0.034 0.000 1.017 575 V CA -0.509 61.811 62.300 0.033 0.000 0.823 575 V CB 0.993 32.834 31.823 0.029 0.000 1.010 575 V HN 0.831 nan 8.190 nan 0.000 0.443 576 A N 3.962 126.830 122.820 0.081 0.000 2.312 576 A HA 0.906 5.227 4.320 0.001 0.000 0.328 576 A C 0.046 177.762 177.584 0.220 0.000 1.158 576 A CA -0.392 51.684 52.037 0.065 0.000 0.821 576 A CB 1.347 20.263 19.000 -0.140 0.000 1.170 576 A HN 0.671 nan 8.150 nan 0.000 0.490 577 S N -0.224 115.642 115.700 0.277 0.000 2.549 577 S HA 0.779 5.250 4.470 0.001 0.000 0.280 577 S C -1.512 173.413 174.600 0.541 0.000 1.109 577 S CA -0.290 58.126 58.200 0.359 0.000 0.905 577 S CB 1.321 64.671 63.200 0.250 0.000 1.081 577 S HN 0.796 nan 8.310 nan 0.000 0.477 578 F N 1.690 121.848 119.950 0.347 0.000 2.596 578 F HA 0.482 5.010 4.527 0.001 0.000 0.311 578 F C -1.812 174.161 175.800 0.289 0.000 1.116 578 F CA -0.711 57.519 58.000 0.384 0.000 0.957 578 F CB 1.573 40.805 39.000 0.386 0.000 1.250 578 F HN 0.387 nan 8.300 nan 0.000 0.444 579 D N 4.274 124.366 120.400 -0.513 0.000 2.460 579 D HA 0.424 5.064 4.640 0.001 0.000 0.232 579 D C 0.313 176.141 176.300 -0.786 0.000 1.079 579 D CA 0.054 53.832 54.000 -0.369 0.000 0.864 579 D CB 1.631 42.430 40.800 -0.001 0.000 1.048 579 D HN 0.781 nan 8.370 nan 0.000 0.523 580 G N 1.440 109.850 108.800 -0.650 0.000 2.882 580 G HA2 0.276 4.237 3.960 0.001 0.000 0.164 580 G HA3 0.276 4.237 3.960 0.001 0.000 0.164 580 G C 0.099 174.785 174.900 -0.356 0.000 1.429 580 G CA -0.624 44.044 45.100 -0.720 0.000 1.059 580 G HN 0.281 nan 8.290 nan 0.000 0.581 581 R N -0.506 119.854 120.500 -0.234 0.000 2.491 581 R HA 0.415 4.755 4.340 0.001 0.000 0.283 581 R C 1.105 177.466 176.300 0.101 0.000 1.072 581 R CA 1.265 57.390 56.100 0.041 0.000 1.048 581 R CB 0.776 31.140 30.300 0.107 0.000 0.983 581 R HN 0.977 nan 8.270 nan 0.000 0.450 582 G N 1.181 110.054 108.800 0.122 0.000 2.279 582 G HA2 -0.334 3.627 3.960 0.001 0.000 0.223 582 G HA3 -0.334 3.627 3.960 0.001 0.000 0.223 582 G C 0.176 175.108 174.900 0.054 0.000 1.015 582 G CA 0.101 45.258 45.100 0.095 0.000 0.621 582 G HN 0.728 nan 8.290 nan 0.000 0.506 583 S N 0.731 116.472 115.700 0.068 0.000 2.584 583 S HA 0.600 5.070 4.470 0.001 0.000 0.270 583 S C 0.904 175.554 174.600 0.083 0.000 1.346 583 S CA 0.709 58.964 58.200 0.093 0.000 1.018 583 S CB 1.593 64.863 63.200 0.116 0.000 0.899 583 S HN 1.737 nan 8.310 nan 0.000 0.542 584 G N -0.427 108.427 108.800 0.091 0.000 2.613 584 G HA2 0.504 4.464 3.960 0.001 0.000 0.303 584 G HA3 0.504 4.464 3.960 0.001 0.000 0.303 584 G C -0.834 174.110 174.900 0.074 0.000 1.312 584 G CA -0.967 44.079 45.100 -0.091 0.000 1.036 584 G HN 1.026 nan 8.290 nan 0.000 0.513 585 Y N -2.473 117.858 120.300 0.052 0.000 4.798 585 Y HA -0.221 4.329 4.550 0.001 0.000 0.237 585 Y C 1.359 177.309 175.900 0.082 0.000 1.017 585 Y CA 1.155 59.296 58.100 0.068 0.000 2.010 585 Y CB -1.967 36.547 38.460 0.090 0.000 1.582 585 Y HN 0.511 nan 8.280 nan 0.000 0.621 586 Q N 0.186 120.059 119.800 0.123 0.000 2.089 586 Q HA 0.511 4.852 4.340 0.001 0.000 0.248 586 Q C 0.810 176.732 176.000 -0.129 0.000 0.828 586 Q CA 0.177 56.056 55.803 0.126 0.000 1.102 586 Q CB 1.549 30.390 28.738 0.172 0.000 1.221 586 Q HN 0.553 nan 8.270 nan 0.000 0.455 587 G N 0.724 109.306 108.800 -0.363 0.000 2.690 587 G HA2 -0.190 3.771 3.960 0.001 0.000 0.686 587 G HA3 -0.190 3.771 3.960 0.001 0.000 0.686 587 G C -0.416 174.149 174.900 -0.557 0.000 1.277 587 G CA -0.587 44.026 45.100 -0.811 0.000 0.799 587 G HN 0.165 nan 8.290 nan 0.000 0.613 588 D N 0.269 120.293 120.400 -0.626 0.000 2.264 588 D HA -0.021 4.619 4.640 0.001 0.000 0.208 588 D C 2.384 178.357 176.300 -0.546 0.000 0.966 588 D CA 1.113 54.665 54.000 -0.747 0.000 0.864 588 D CB 0.052 40.376 40.800 -0.794 0.000 0.933 588 D HN 0.335 nan 8.370 nan 0.000 0.499 589 K N 0.500 120.679 120.400 -0.368 0.000 2.026 589 K HA -0.004 4.317 4.320 0.001 0.000 0.208 589 K C 2.095 178.637 176.600 -0.096 0.000 1.048 589 K CA 0.523 56.695 56.287 -0.192 0.000 0.929 589 K CB -0.462 31.948 32.500 -0.151 0.000 0.713 589 K HN 0.193 nan 8.250 nan 0.000 0.439 590 I N -0.122 120.397 120.570 -0.085 0.000 2.353 590 I HA -0.171 4.000 4.170 0.001 0.000 0.248 590 I C 2.373 178.510 176.117 0.033 0.000 1.119 590 I CA 0.853 62.189 61.300 0.060 0.000 1.417 590 I CB -0.069 38.019 38.000 0.147 0.000 1.078 590 I HN 0.159 nan 8.210 nan 0.000 0.421 591 M N -0.129 119.410 119.600 -0.101 0.000 2.098 591 M HA -0.195 4.285 4.480 0.001 0.000 0.262 591 M C 1.886 178.210 176.300 0.041 0.000 1.072 591 M CA 1.928 57.185 55.300 -0.072 0.000 1.133 591 M CB -0.246 32.204 32.600 -0.250 0.000 1.344 591 M HN 0.237 nan 8.290 nan 0.000 0.414 592 H N -0.533 118.392 119.070 -0.241 0.000 2.553 592 H HA 0.165 4.721 4.556 0.001 0.000 0.269 592 H C 1.748 177.065 175.328 -0.020 0.000 1.011 592 H CA 0.048 55.911 56.048 -0.307 0.000 1.150 592 H CB 0.094 29.579 29.762 -0.462 0.000 1.339 592 H HN 0.512 nan 8.280 nan 0.000 0.604 593 A N 1.421 124.348 122.820 0.178 0.000 1.972 593 A HA -0.118 4.202 4.320 0.001 0.000 0.219 593 A C 2.059 179.856 177.584 0.355 0.000 1.169 593 A CA 1.054 53.245 52.037 0.256 0.000 0.635 593 A CB -0.549 18.593 19.000 0.237 0.000 0.810 593 A HN 0.560 nan 8.150 nan 0.000 0.446 594 I N -2.839 117.894 120.570 0.272 0.000 3.861 594 I HA 0.140 4.311 4.170 0.001 0.000 0.329 594 I C 0.475 176.654 176.117 0.103 0.000 1.321 594 I CA -0.462 60.921 61.300 0.139 0.000 1.126 594 I CB -0.521 37.541 38.000 0.102 0.000 1.018 594 I HN 0.185 nan 8.210 nan 0.000 0.407 595 N N 3.217 122.050 118.700 0.221 0.000 2.359 595 N HA -0.100 4.641 4.740 0.001 0.000 0.261 595 N C 0.238 175.753 175.510 0.008 0.000 1.267 595 N CA 0.432 53.627 53.050 0.242 0.000 0.864 595 N CB 0.331 38.934 38.487 0.193 0.000 1.063 595 N HN 0.431 nan 8.380 nan 0.000 0.474 596 R N 0.561 121.034 120.500 -0.046 0.000 4.000 596 R HA -0.201 4.140 4.340 0.001 0.000 0.362 596 R C -0.266 175.878 176.300 -0.259 0.000 1.183 596 R CA 1.558 57.558 56.100 -0.167 0.000 1.011 596 R CB -1.456 28.740 30.300 -0.173 0.000 1.501 596 R HN 0.802 nan 8.270 nan 0.000 0.553 597 R N -0.078 120.302 120.500 -0.200 0.000 2.583 597 R HA 0.272 4.613 4.340 0.001 0.000 0.282 597 R C -0.559 175.685 176.300 -0.094 0.000 1.288 597 R CA -0.695 55.313 56.100 -0.153 0.000 1.415 597 R CB 0.238 30.376 30.300 -0.270 0.000 1.331 597 R HN -0.038 nan 8.270 nan 0.000 0.719 598 L N 1.121 122.282 121.223 -0.103 0.000 2.490 598 L HA 0.293 4.634 4.340 0.001 0.000 0.274 598 L C 1.165 178.195 176.870 0.267 0.000 1.201 598 L CA 1.295 56.148 54.840 0.021 0.000 0.869 598 L CB 0.743 42.649 42.059 -0.256 0.000 1.123 598 L HN 0.869 nan 8.230 nan 0.000 0.484 599 G N 1.165 110.192 108.800 0.377 0.000 2.159 599 G HA2 -0.287 3.674 3.960 0.001 0.000 0.227 599 G HA3 -0.287 3.674 3.960 0.001 0.000 0.227 599 G C 0.509 175.470 174.900 0.102 0.000 0.986 599 G CA 0.461 45.744 45.100 0.304 0.000 0.651 599 G HN 0.751 nan 8.290 nan 0.000 0.523 600 T N -2.775 111.808 114.554 0.049 0.000 3.610 600 T HA 0.449 4.800 4.350 0.001 0.000 0.209 600 T C 1.756 176.518 174.700 0.104 0.000 0.889 600 T CA 1.104 63.184 62.100 -0.034 0.000 1.469 600 T CB -0.163 68.523 68.868 -0.303 0.000 1.557 600 T HN 0.079 nan 8.240 nan 0.000 0.431 601 F N 3.320 123.319 119.950 0.081 0.000 2.134 601 F HA 0.115 4.642 4.527 0.001 0.000 0.299 601 F C 2.824 178.666 175.800 0.069 0.000 1.097 601 F CA 0.910 58.945 58.000 0.059 0.000 1.264 601 F CB -0.829 38.198 39.000 0.044 0.000 1.001 601 F HN 0.508 nan 8.300 nan 0.000 0.479 602 E N 0.680 121.041 120.200 0.267 0.000 2.150 602 E HA -0.130 4.220 4.350 0.001 0.000 0.193 602 E C 2.112 178.822 176.600 0.183 0.000 0.985 602 E CA 1.509 58.028 56.400 0.200 0.000 0.814 602 E CB -0.933 28.884 29.700 0.195 0.000 0.752 602 E HN 0.280 nan 8.360 nan 0.000 0.466 603 V N 1.460 121.466 119.914 0.154 0.000 2.346 603 V HA -0.186 3.935 4.120 0.001 0.000 0.244 603 V C 2.297 178.449 176.094 0.096 0.000 1.037 603 V CA 2.091 64.441 62.300 0.083 0.000 1.029 603 V CB -0.543 31.283 31.823 0.004 0.000 0.663 603 V HN 0.187 nan 8.190 nan 0.000 0.454 604 E N 0.041 120.320 120.200 0.132 0.000 2.153 604 E HA -0.218 4.132 4.350 0.001 0.000 0.194 604 E C 1.873 178.551 176.600 0.130 0.000 0.988 604 E CA 1.381 57.862 56.400 0.135 0.000 0.811 604 E CB -0.127 29.684 29.700 0.186 0.000 0.746 604 E HN 0.558 nan 8.360 nan 0.000 0.466 605 D N 0.073 120.568 120.400 0.159 0.000 2.183 605 D HA -0.116 4.524 4.640 0.001 0.000 0.203 605 D C 1.873 178.229 176.300 0.093 0.000 0.969 605 D CA 0.642 54.730 54.000 0.146 0.000 0.842 605 D CB -0.033 40.880 40.800 0.188 0.000 0.957 605 D HN 0.102 nan 8.370 nan 0.000 0.484 606 Q N 0.114 120.009 119.800 0.158 0.000 2.124 606 Q HA -0.061 4.280 4.340 0.001 0.000 0.202 606 Q C 2.480 178.531 176.000 0.085 0.000 0.977 606 Q CA 0.620 56.514 55.803 0.152 0.000 0.850 606 Q CB -0.100 28.741 28.738 0.172 0.000 0.901 606 Q HN 0.407 nan 8.270 nan 0.000 0.429 607 I N 0.433 121.062 120.570 0.098 0.000 2.233 607 I HA -0.222 3.948 4.170 0.001 0.000 0.243 607 I C 2.362 178.445 176.117 -0.056 0.000 1.093 607 I CA 0.997 62.376 61.300 0.132 0.000 1.380 607 I CB -0.147 37.936 38.000 0.139 0.000 1.067 607 I HN 0.084 nan 8.210 nan 0.000 0.413 608 E N 1.270 121.407 120.200 -0.105 0.000 2.153 608 E HA -0.185 4.166 4.350 0.001 0.000 0.194 608 E C 2.081 178.432 176.600 -0.414 0.000 0.988 608 E CA 1.571 57.852 56.400 -0.198 0.000 0.811 608 E CB -0.157 29.463 29.700 -0.133 0.000 0.746 608 E HN 0.435 nan 8.360 nan 0.000 0.466 609 A N -0.752 121.692 122.820 -0.627 0.000 1.929 609 A HA -0.084 4.237 4.320 0.001 0.000 0.216 609 A C 2.367 179.162 177.584 -1.315 0.000 1.176 609 A CA 1.752 53.082 52.037 -1.178 0.000 0.628 609 A CB -0.713 17.130 19.000 -1.930 0.000 0.816 609 A HN 0.322 nan 8.150 nan 0.000 0.444 610 T N -0.617 113.534 114.554 -0.671 0.000 2.904 610 T HA -0.073 4.278 4.350 0.001 0.000 0.267 610 T C 2.031 176.536 174.700 -0.324 0.000 1.059 610 T CA 1.203 63.099 62.100 -0.340 0.000 1.137 610 T CB -0.179 68.673 68.868 -0.027 0.000 0.879 610 T HN 0.448 nan 8.240 nan 0.000 0.467 611 R N 0.837 121.140 120.500 -0.328 0.000 2.096 611 R HA -0.050 4.290 4.340 0.001 0.000 0.235 611 R C 2.680 178.822 176.300 -0.264 0.000 1.127 611 R CA 1.237 57.184 56.100 -0.255 0.000 0.968 611 R CB -0.129 30.049 30.300 -0.203 0.000 0.861 611 R HN 0.489 nan 8.270 nan 0.000 0.440 612 Q N -0.863 118.705 119.800 -0.388 0.000 2.172 612 Q HA -0.120 4.220 4.340 0.001 0.000 0.200 612 Q C 1.699 177.560 176.000 -0.231 0.000 0.964 612 Q CA 1.081 56.674 55.803 -0.350 0.000 0.855 612 Q CB 0.077 28.535 28.738 -0.467 0.000 0.918 612 Q HN 0.250 nan 8.270 nan 0.000 0.444 613 F N 0.410 120.206 119.950 -0.257 0.000 2.163 613 F HA -0.141 4.387 4.527 0.001 0.000 0.297 613 F C 2.739 178.405 175.800 -0.223 0.000 1.094 613 F CA 1.281 59.142 58.000 -0.231 0.000 1.290 613 F CB -1.171 37.721 39.000 -0.179 0.000 1.017 613 F HN 0.060 nan 8.300 nan 0.000 0.483 614 S N -0.423 115.263 115.700 -0.024 0.000 2.447 614 S HA -0.117 4.353 4.470 0.001 0.000 0.233 614 S C 1.931 176.453 174.600 -0.129 0.000 1.006 614 S CA 0.625 58.770 58.200 -0.091 0.000 0.957 614 S CB -0.319 62.806 63.200 -0.126 0.000 0.773 614 S HN 0.202 nan 8.310 nan 0.000 0.507 615 K N 0.789 121.108 120.400 -0.135 0.000 2.103 615 K HA 0.201 4.521 4.320 0.001 0.000 0.204 615 K C 0.823 177.321 176.600 -0.169 0.000 1.052 615 K CA 0.343 56.550 56.287 -0.134 0.000 0.945 615 K CB -0.465 31.964 32.500 -0.119 0.000 0.722 615 K HN 0.508 nan 8.250 nan 0.000 0.443 616 M N 0.274 119.730 119.600 -0.239 0.000 2.248 616 M HA -0.062 4.419 4.480 0.001 0.000 0.343 616 M C 1.585 177.594 176.300 -0.486 0.000 1.243 616 M CA 0.260 55.311 55.300 -0.415 0.000 1.025 616 M CB 0.643 32.822 32.600 -0.702 0.000 1.759 616 M HN 0.188 nan 8.290 nan 0.000 0.452 617 G N 2.911 111.504 108.800 -0.345 0.000 2.462 617 G HA2 -0.206 3.754 3.960 0.001 0.000 0.220 617 G HA3 -0.206 3.754 3.960 0.001 0.000 0.220 617 G C 0.824 175.676 174.900 -0.080 0.000 1.121 617 G CA 0.678 45.683 45.100 -0.157 0.000 0.758 617 G HN 0.836 nan 8.290 nan 0.000 0.559 618 F N -0.101 119.913 119.950 0.106 0.000 2.797 618 F HA 0.527 5.054 4.527 0.001 0.000 0.302 618 F C 0.126 176.058 175.800 0.220 0.000 1.130 618 F CA -1.243 56.870 58.000 0.189 0.000 1.387 618 F CB -0.350 38.833 39.000 0.305 0.000 1.107 618 F HN -0.170 nan 8.300 nan 0.000 0.577 619 V N 1.943 121.879 119.914 0.036 0.000 2.370 619 V HA 0.151 4.272 4.120 0.001 0.000 0.283 619 V C -0.537 175.555 176.094 -0.005 0.000 1.023 619 V CA -0.894 61.444 62.300 0.064 0.000 0.857 619 V CB 1.162 32.972 31.823 -0.022 0.000 0.985 619 V HN 0.034 nan 8.190 nan 0.000 0.443 620 D N 3.511 123.907 120.400 -0.007 0.000 2.346 620 D HA 0.032 4.673 4.640 0.001 0.000 0.260 620 D C 1.010 177.267 176.300 -0.073 0.000 1.252 620 D CA -0.232 53.733 54.000 -0.059 0.000 0.895 620 D CB 1.229 41.968 40.800 -0.101 0.000 1.097 620 D HN 0.776 nan 8.370 nan 0.000 0.489 621 D N 2.330 122.689 120.400 -0.069 0.000 2.348 621 D HA -0.124 4.516 4.640 0.001 0.000 0.216 621 D C 1.039 177.303 176.300 -0.059 0.000 0.970 621 D CA 0.898 54.852 54.000 -0.075 0.000 0.889 621 D CB 0.102 40.856 40.800 -0.077 0.000 0.912 621 D HN 0.336 nan 8.370 nan 0.000 0.524 622 K N -0.371 120.001 120.400 -0.047 0.000 2.305 622 K HA 0.156 4.476 4.320 0.001 0.000 0.199 622 K C 0.541 177.146 176.600 0.010 0.000 1.047 622 K CA 0.324 56.599 56.287 -0.019 0.000 0.976 622 K CB 0.362 32.851 32.500 -0.020 0.000 0.765 622 K HN 0.021 nan 8.250 nan 0.000 0.474 623 R N 1.188 121.668 120.500 -0.033 0.000 2.651 623 R HA 0.346 4.686 4.340 0.001 0.000 0.282 623 R C -1.094 175.197 176.300 -0.015 0.000 1.565 623 R CA -0.149 55.934 56.100 -0.027 0.000 1.661 623 R CB 0.558 30.678 30.300 -0.299 0.000 1.189 623 R HN -0.004 nan 8.270 nan 0.000 0.621 624 I N 0.981 121.662 120.570 0.185 0.000 2.433 624 I HA 0.577 4.748 4.170 0.001 0.000 0.292 624 I C 0.002 176.426 176.117 0.511 0.000 1.001 624 I CA -0.709 60.746 61.300 0.258 0.000 1.119 624 I CB 2.022 40.003 38.000 -0.033 0.000 1.289 624 I HN 0.305 nan 8.210 nan 0.000 0.438 625 A N 6.513 129.724 122.820 0.652 0.000 2.386 625 A HA 0.928 5.248 4.320 0.001 0.000 0.308 625 A C -1.209 176.743 177.584 0.613 0.000 1.128 625 A CA -0.629 51.753 52.037 0.576 0.000 0.789 625 A CB 1.787 20.970 19.000 0.304 0.000 1.325 625 A HN 0.718 nan 8.150 nan 0.000 0.437 626 I N 0.918 121.749 120.570 0.436 0.000 2.619 626 I HA 0.722 4.892 4.170 0.001 0.000 0.292 626 I C -1.609 174.739 176.117 0.385 0.000 1.100 626 I CA -0.401 61.074 61.300 0.292 0.000 1.043 626 I CB 1.406 39.282 38.000 -0.206 0.000 1.239 626 I HN 0.889 nan 8.210 nan 0.000 0.420 627 W N 7.512 128.943 121.300 0.218 0.000 3.083 627 W HA 0.876 5.536 4.660 0.001 0.000 0.333 627 W C -1.388 175.283 176.519 0.252 0.000 1.217 627 W CA -0.905 56.581 57.345 0.236 0.000 1.170 627 W CB 1.315 30.967 29.460 0.320 0.000 1.437 627 W HN 0.847 nan 8.180 nan 0.000 0.557 628 G N 1.008 109.695 108.800 -0.189 0.000 2.523 628 G HA2 0.454 4.415 3.960 0.001 0.000 0.291 628 G HA3 0.454 4.415 3.960 0.001 0.000 0.291 628 G C -2.845 171.981 174.900 -0.124 0.000 1.450 628 G CA -0.729 44.124 45.100 -0.412 0.000 0.790 628 G HN 0.585 nan 8.290 nan 0.000 0.496 629 W N 0.987 122.177 121.300 -0.183 0.000 2.736 629 W HA 0.558 5.219 4.660 0.001 0.000 0.335 629 W C 0.893 177.475 176.519 0.105 0.000 1.059 629 W CA 0.399 57.733 57.345 -0.018 0.000 1.226 629 W CB 1.654 31.102 29.460 -0.020 0.000 1.416 629 W HN 1.135 nan 8.180 nan 0.000 0.505 630 S N 2.069 118.047 115.700 0.463 0.000 4.150 630 S HA -0.441 4.030 4.470 0.001 0.000 0.575 630 S C 0.902 175.625 174.600 0.204 0.000 1.878 630 S CA 1.782 60.236 58.200 0.422 0.000 4.245 630 S CB -1.557 62.016 63.200 0.622 0.000 0.231 630 S HN 0.738 nan 8.310 nan 0.000 0.469 631 Y N 3.323 123.624 120.300 0.002 0.000 2.256 631 Y HA -0.001 4.549 4.550 0.001 0.000 0.288 631 Y C 2.475 178.309 175.900 -0.111 0.000 1.155 631 Y CA 2.048 60.047 58.100 -0.169 0.000 1.203 631 Y CB -0.989 37.157 38.460 -0.523 0.000 0.980 631 Y HN 0.539 nan 8.280 nan 0.000 0.530 632 G N -1.014 107.836 108.800 0.084 0.000 2.422 632 G HA2 -0.224 3.737 3.960 0.001 0.000 0.218 632 G HA3 -0.224 3.737 3.960 0.001 0.000 0.218 632 G C 1.937 176.883 174.900 0.076 0.000 1.146 632 G CA 0.729 45.900 45.100 0.119 0.000 0.769 632 G HN 0.567 nan 8.290 nan 0.000 0.547 633 G N -0.092 108.762 108.800 0.089 0.000 2.418 633 G HA2 -0.255 3.706 3.960 0.001 0.000 0.217 633 G HA3 -0.255 3.706 3.960 0.001 0.000 0.217 633 G C 1.598 176.536 174.900 0.062 0.000 1.158 633 G CA 1.124 46.267 45.100 0.071 0.000 0.771 633 G HN 0.417 nan 8.290 nan 0.000 0.545 634 Y N 1.443 121.660 120.300 -0.139 0.000 2.097 634 Y HA -0.163 4.387 4.550 0.001 0.000 0.282 634 Y C 2.830 178.645 175.900 -0.142 0.000 1.152 634 Y CA 1.806 59.765 58.100 -0.235 0.000 1.136 634 Y CB -0.570 37.576 38.460 -0.523 0.000 0.975 634 Y HN 0.032 nan 8.280 nan 0.000 0.498 635 V N -0.238 119.552 119.914 -0.206 0.000 2.295 635 V HA -0.344 3.776 4.120 0.001 0.000 0.246 635 V C 2.331 178.318 176.094 -0.177 0.000 1.049 635 V CA 2.405 64.583 62.300 -0.202 0.000 1.024 635 V CB -1.328 30.527 31.823 0.052 0.000 0.648 635 V HN 0.502 nan 8.190 nan 0.000 0.447 636 T N 0.185 114.690 114.554 -0.082 0.000 2.597 636 T HA -0.251 4.100 4.350 0.001 0.000 0.267 636 T C 2.128 176.766 174.700 -0.104 0.000 1.053 636 T CA 2.252 64.314 62.100 -0.063 0.000 1.165 636 T CB -0.377 68.534 68.868 0.072 0.000 0.863 636 T HN 0.538 nan 8.240 nan 0.000 0.427 637 S N 0.843 116.520 115.700 -0.039 0.000 2.368 637 S HA -0.037 4.434 4.470 0.001 0.000 0.225 637 S C 2.124 176.636 174.600 -0.147 0.000 1.030 637 S CA 0.980 59.182 58.200 0.002 0.000 0.999 637 S CB -0.285 62.978 63.200 0.107 0.000 0.844 637 S HN 0.301 nan 8.310 nan 0.000 0.459 638 M N 0.809 120.233 119.600 -0.292 0.000 2.175 638 M HA 0.017 4.497 4.480 0.001 0.000 0.264 638 M C 2.213 178.351 176.300 -0.270 0.000 1.063 638 M CA 0.970 56.075 55.300 -0.324 0.000 1.119 638 M CB -1.426 30.864 32.600 -0.517 0.000 1.377 638 M HN 0.168 nan 8.290 nan 0.000 0.415 639 V N 0.596 120.343 119.914 -0.278 0.000 2.358 639 V HA -0.238 3.882 4.120 0.001 0.000 0.246 639 V C 2.511 178.401 176.094 -0.339 0.000 1.047 639 V CA 1.360 63.492 62.300 -0.280 0.000 1.035 639 V CB -0.562 31.037 31.823 -0.375 0.000 0.658 639 V HN 0.388 nan 8.190 nan 0.000 0.452 640 L N 0.246 121.203 121.223 -0.444 0.000 2.093 640 L HA -0.066 4.275 4.340 0.001 0.000 0.208 640 L C 2.444 178.832 176.870 -0.803 0.000 1.085 640 L CA 1.637 56.128 54.840 -0.582 0.000 0.755 640 L CB -0.908 40.735 42.059 -0.692 0.000 0.904 640 L HN 0.481 nan 8.230 nan 0.000 0.435 641 G N -1.002 107.303 108.800 -0.825 0.000 2.744 641 G HA2 -0.010 3.951 3.960 0.001 0.000 0.211 641 G HA3 -0.010 3.951 3.960 0.001 0.000 0.211 641 G C 1.625 176.371 174.900 -0.257 0.000 1.143 641 G CA 0.574 45.328 45.100 -0.575 0.000 0.788 641 G HN 0.427 nan 8.290 nan 0.000 0.534 642 A N 0.167 122.857 122.820 -0.216 0.000 2.066 642 A HA 0.397 4.717 4.320 0.001 0.000 0.218 642 A C 2.159 179.700 177.584 -0.071 0.000 1.157 642 A CA 1.412 53.386 52.037 -0.106 0.000 0.670 642 A CB -0.527 18.431 19.000 -0.069 0.000 0.804 642 A HN 1.499 nan 8.150 nan 0.000 0.453 643 G N -0.224 108.520 108.800 -0.092 0.000 2.221 643 G HA2 -0.289 3.672 3.960 0.001 0.000 0.265 643 G HA3 -0.289 3.672 3.960 0.001 0.000 0.265 643 G C 0.936 175.831 174.900 -0.009 0.000 1.041 643 G CA 1.244 46.314 45.100 -0.050 0.000 0.807 643 G HN 1.409 nan 8.290 nan 0.000 0.502 644 S N -1.112 114.599 115.700 0.019 0.000 2.453 644 S HA 0.308 4.778 4.470 0.001 0.000 0.231 644 S C 2.456 177.072 174.600 0.026 0.000 1.005 644 S CA 1.370 59.594 58.200 0.040 0.000 0.949 644 S CB -0.107 63.152 63.200 0.099 0.000 0.774 644 S HN 2.369 nan 8.310 nan 0.000 0.510 645 G N 0.213 109.034 108.800 0.035 0.000 2.168 645 G HA2 -0.280 3.680 3.960 0.001 0.000 0.263 645 G HA3 -0.280 3.680 3.960 0.001 0.000 0.263 645 G C 0.663 175.558 174.900 -0.009 0.000 0.977 645 G CA 0.423 45.533 45.100 0.018 0.000 0.659 645 G HN 0.649 nan 8.290 nan 0.000 0.533 646 V N -0.929 118.971 119.914 -0.023 0.000 2.599 646 V HA 0.331 4.452 4.120 0.001 0.000 0.245 646 V C 1.072 176.967 176.094 -0.332 0.000 1.046 646 V CA 1.236 63.395 62.300 -0.235 0.000 1.065 646 V CB -0.240 31.336 31.823 -0.412 0.000 0.703 646 V HN 0.280 nan 8.190 nan 0.000 0.464 647 F N 0.089 120.060 119.950 0.035 0.000 2.436 647 F HA 0.422 4.949 4.527 0.001 0.000 0.340 647 F C 1.136 176.986 175.800 0.082 0.000 1.113 647 F CA -0.560 57.487 58.000 0.078 0.000 1.022 647 F CB 1.424 40.471 39.000 0.078 0.000 1.128 647 F HN -0.258 nan 8.300 nan 0.000 0.466 648 K N 1.580 122.146 120.400 0.277 0.000 2.116 648 K HA 0.060 4.381 4.320 0.001 0.000 0.203 648 K C -0.092 176.641 176.600 0.221 0.000 1.052 648 K CA 0.964 57.376 56.287 0.210 0.000 0.952 648 K CB 0.212 32.835 32.500 0.205 0.000 0.729 648 K HN 0.808 nan 8.250 nan 0.000 0.446 649 c N -3.231 115.538 118.600 0.282 0.000 3.321 649 c HA 0.856 5.427 4.570 0.001 0.000 0.329 649 c C -0.312 174.004 174.090 0.376 0.000 1.394 649 c CA -0.775 55.743 56.329 0.316 0.000 1.291 649 c CB 1.142 43.782 42.510 0.218 0.000 1.606 649 c HN 0.307 nan 8.230 nan 0.000 0.463 650 G N 0.075 109.162 108.800 0.478 0.000 2.720 650 G HA2 0.729 4.690 3.960 0.001 0.000 0.295 650 G HA3 0.729 4.690 3.960 0.001 0.000 0.295 650 G C -1.921 173.232 174.900 0.423 0.000 1.437 650 G CA -0.705 44.652 45.100 0.427 0.000 0.886 650 G HN 0.993 nan 8.290 nan 0.000 0.509 651 I N 0.937 121.717 120.570 0.350 0.000 2.418 651 I HA 0.619 4.790 4.170 0.001 0.000 0.287 651 I C 0.234 176.498 176.117 0.244 0.000 1.008 651 I CA -0.892 60.503 61.300 0.158 0.000 1.104 651 I CB 2.237 40.309 38.000 0.119 0.000 1.264 651 I HN 0.626 nan 8.210 nan 0.000 0.438 652 A N 6.433 129.307 122.820 0.089 0.000 2.304 652 A HA 0.803 5.124 4.320 0.001 0.000 0.314 652 A C -0.745 176.797 177.584 -0.070 0.000 1.187 652 A CA -0.531 51.561 52.037 0.093 0.000 0.810 652 A CB 1.164 20.285 19.000 0.202 0.000 1.183 652 A HN 0.449 nan 8.150 nan 0.000 0.487 653 V N 2.115 121.941 119.914 -0.146 0.000 2.384 653 V HA 0.570 4.690 4.120 0.001 0.000 0.287 653 V C 0.926 176.738 176.094 -0.469 0.000 1.020 653 V CA 0.316 62.352 62.300 -0.440 0.000 0.850 653 V CB 0.806 32.093 31.823 -0.894 0.000 0.987 653 V HN 2.111 nan 8.190 nan 0.000 0.436 654 A N 5.610 128.147 122.820 -0.471 0.000 2.511 654 A HA -0.104 4.217 4.320 0.001 0.000 0.297 654 A C -1.837 175.657 177.584 -0.150 0.000 1.476 654 A CA 0.402 52.075 52.037 -0.607 0.000 0.757 654 A CB -1.596 17.193 19.000 -0.352 0.000 1.072 654 A HN 0.609 nan 8.150 nan 0.000 0.413 655 P HA 0.410 nan 4.420 nan 0.000 0.278 655 P C 0.248 177.540 177.300 -0.013 0.000 1.238 655 P CA -0.179 62.931 63.100 0.017 0.000 0.794 655 P CB 1.210 32.943 31.700 0.054 0.000 0.955 656 V N 2.503 122.298 119.914 -0.199 0.000 2.655 656 V HA 0.031 4.151 4.120 0.001 0.000 0.300 656 V C 1.811 177.726 176.094 -0.299 0.000 1.044 656 V CA 1.211 63.242 62.300 -0.449 0.000 1.095 656 V CB 0.526 31.635 31.823 -1.190 0.000 0.952 656 V HN 0.847 nan 8.190 nan 0.000 0.485 657 S N 3.042 118.612 115.700 -0.217 0.000 2.575 657 S HA 0.261 4.732 4.470 0.001 0.000 0.230 657 S C 0.403 174.900 174.600 -0.172 0.000 1.062 657 S CA -0.173 57.975 58.200 -0.087 0.000 0.913 657 S CB 0.304 63.501 63.200 -0.006 0.000 0.837 657 S HN 0.666 nan 8.310 nan 0.000 0.487 658 K N -0.506 119.717 120.400 -0.294 0.000 2.553 658 K HA 0.304 4.625 4.320 0.001 0.000 0.250 658 K C -1.168 175.226 176.600 -0.343 0.000 0.953 658 K CA -0.680 55.387 56.287 -0.367 0.000 0.800 658 K CB 0.882 33.042 32.500 -0.566 0.000 1.243 658 K HN 0.232 nan 8.250 nan 0.000 0.435 659 W N 2.147 123.400 121.300 -0.079 0.000 2.525 659 W HA -0.038 4.622 4.660 0.001 0.000 0.259 659 W C 1.174 177.838 176.519 0.241 0.000 1.253 659 W CA 0.277 57.646 57.345 0.039 0.000 1.262 659 W CB 0.444 29.845 29.460 -0.097 0.000 1.122 659 W HN 0.767 nan 8.180 nan 0.000 0.607 660 E N -1.106 119.282 120.200 0.313 0.000 2.274 660 E HA -0.179 4.172 4.350 0.001 0.000 0.194 660 E C 1.373 178.106 176.600 0.220 0.000 0.996 660 E CA 0.949 57.460 56.400 0.184 0.000 0.840 660 E CB -0.245 29.433 29.700 -0.036 0.000 0.772 660 E HN 0.322 nan 8.360 nan 0.000 0.491 661 Y N -1.311 119.101 120.300 0.186 0.000 2.475 661 Y HA 0.030 4.581 4.550 0.001 0.000 0.289 661 Y C 0.781 176.800 175.900 0.198 0.000 1.121 661 Y CA -0.161 58.016 58.100 0.128 0.000 1.257 661 Y CB -0.486 37.994 38.460 0.033 0.000 1.026 661 Y HN 0.032 nan 8.280 nan 0.000 0.555 662 Y N 1.788 122.272 120.300 0.306 0.000 2.340 662 Y HA 0.252 4.803 4.550 0.001 0.000 0.327 662 Y C 0.409 176.553 175.900 0.407 0.000 1.321 662 Y CA -1.860 56.435 58.100 0.325 0.000 1.433 662 Y CB 0.288 38.984 38.460 0.394 0.000 1.373 662 Y HN 0.176 nan 8.280 nan 0.000 0.538 663 D N -0.661 119.561 120.400 -0.297 0.000 2.357 663 D HA 0.102 4.742 4.640 0.001 0.000 0.242 663 D C 0.902 177.226 176.300 0.040 0.000 1.153 663 D CA 0.306 54.163 54.000 -0.239 0.000 0.918 663 D CB 0.906 41.317 40.800 -0.648 0.000 1.181 663 D HN 0.482 nan 8.370 nan 0.000 0.435 664 S N 0.983 116.687 115.700 0.007 0.000 2.348 664 S HA -0.220 4.250 4.470 0.001 0.000 0.221 664 S C 1.954 176.587 174.600 0.055 0.000 1.033 664 S CA 1.182 59.427 58.200 0.075 0.000 1.010 664 S CB -1.049 62.194 63.200 0.072 0.000 0.891 664 S HN 0.432 nan 8.310 nan 0.000 0.442 665 V N 0.942 120.831 119.914 -0.043 0.000 2.287 665 V HA -0.194 3.927 4.120 0.001 0.000 0.248 665 V C 2.321 178.351 176.094 -0.107 0.000 1.053 665 V CA 2.282 64.478 62.300 -0.174 0.000 1.027 665 V CB -1.126 30.409 31.823 -0.480 0.000 0.646 665 V HN 0.595 nan 8.190 nan 0.000 0.447 666 Y N 1.397 121.653 120.300 -0.073 0.000 2.184 666 Y HA -0.213 4.337 4.550 0.001 0.000 0.290 666 Y C 2.698 178.568 175.900 -0.050 0.000 1.129 666 Y CA 2.272 60.386 58.100 0.023 0.000 1.144 666 Y CB -0.472 38.216 38.460 0.381 0.000 0.995 666 Y HN 0.238 nan 8.280 nan 0.000 0.513 667 T N 0.057 114.771 114.554 0.266 0.000 2.777 667 T HA -0.145 4.206 4.350 0.001 0.000 0.266 667 T C 1.528 176.170 174.700 -0.097 0.000 1.040 667 T CA 1.739 63.906 62.100 0.113 0.000 1.141 667 T CB -0.226 68.886 68.868 0.406 0.000 0.868 667 T HN 0.416 nan 8.240 nan 0.000 0.444 668 E N 0.677 120.857 120.200 -0.033 0.000 2.208 668 E HA -0.043 4.308 4.350 0.001 0.000 0.193 668 E C 2.311 178.798 176.600 -0.189 0.000 0.988 668 E CA 0.351 56.732 56.400 -0.031 0.000 0.828 668 E CB -0.071 29.658 29.700 0.048 0.000 0.763 668 E HN 0.334 nan 8.360 nan 0.000 0.478 669 R N 0.184 120.434 120.500 -0.416 0.000 2.091 669 R HA -0.204 4.136 4.340 0.001 0.000 0.238 669 R C 1.283 177.100 176.300 -0.806 0.000 1.136 669 R CA 1.698 57.381 56.100 -0.695 0.000 0.959 669 R CB -0.074 29.517 30.300 -1.181 0.000 0.856 669 R HN 0.214 nan 8.270 nan 0.000 0.437 670 Y N -1.974 117.984 120.300 -0.571 0.000 2.507 670 Y HA 0.234 4.785 4.550 0.001 0.000 0.263 670 Y C 1.697 177.367 175.900 -0.383 0.000 1.093 670 Y CA 0.111 57.838 58.100 -0.621 0.000 1.285 670 Y CB 0.470 38.405 38.460 -0.874 0.000 1.115 670 Y HN 0.000 nan 8.280 nan 0.000 0.533 671 M N -0.973 118.484 119.600 -0.238 0.000 2.304 671 M HA 0.371 4.852 4.480 0.001 0.000 0.281 671 M C 1.179 177.467 176.300 -0.020 0.000 1.014 671 M CA 0.822 55.976 55.300 -0.244 0.000 1.054 671 M CB 0.026 32.275 32.600 -0.584 0.000 1.551 671 M HN 0.318 nan 8.290 nan 0.000 0.548 672 G N 2.089 110.900 108.800 0.018 0.000 2.539 672 G HA2 -0.258 3.703 3.960 0.001 0.000 0.256 672 G HA3 -0.258 3.703 3.960 0.001 0.000 0.256 672 G C -0.461 174.558 174.900 0.198 0.000 1.233 672 G CA -0.575 44.576 45.100 0.086 0.000 0.936 672 G HN 0.346 nan 8.290 nan 0.000 0.571 673 L N 2.133 123.445 121.223 0.149 0.000 2.322 673 L HA 0.478 4.818 4.340 0.001 0.000 0.279 673 L C -1.636 175.218 176.870 -0.027 0.000 1.036 673 L CA -1.859 53.021 54.840 0.067 0.000 0.807 673 L CB 2.184 44.251 42.059 0.014 0.000 1.226 673 L HN 0.423 nan 8.230 nan 0.000 0.433 674 P HA 0.089 nan 4.420 nan 0.000 0.218 674 P C -0.634 176.517 177.300 -0.249 0.000 1.793 674 P CA -0.176 62.530 63.100 -0.655 0.000 0.941 674 P CB -0.397 30.608 31.700 -1.159 0.000 1.919 675 T N -2.694 111.800 114.554 -0.101 0.000 2.887 675 T HA 0.437 4.787 4.350 0.001 0.000 0.288 675 T C -1.968 172.730 174.700 -0.004 0.000 1.021 675 T CA -2.562 59.510 62.100 -0.048 0.000 1.000 675 T CB 1.828 70.678 68.868 -0.031 0.000 1.034 675 T HN -0.216 nan 8.240 nan 0.000 0.467 676 P HA -0.149 nan 4.420 nan 0.000 0.217 676 P C 0.861 178.178 177.300 0.028 0.000 1.148 676 P CA 1.257 64.369 63.100 0.021 0.000 0.828 676 P CB 0.157 31.864 31.700 0.011 0.000 0.783 677 E N -0.867 119.344 120.200 0.018 0.000 2.204 677 E HA -0.104 4.246 4.350 0.001 0.000 0.194 677 E C 1.543 178.161 176.600 0.029 0.000 0.989 677 E CA 0.923 57.335 56.400 0.019 0.000 0.824 677 E CB -0.343 29.362 29.700 0.009 0.000 0.756 677 E HN 0.324 nan 8.360 nan 0.000 0.477 678 D N -0.639 119.783 120.400 0.038 0.000 3.132 678 D HA 0.099 4.739 4.640 0.001 0.000 0.233 678 D C 0.174 176.532 176.300 0.096 0.000 1.216 678 D CA -0.121 53.913 54.000 0.055 0.000 1.227 678 D CB 0.001 40.832 40.800 0.052 0.000 0.930 678 D HN -0.070 nan 8.370 nan 0.000 0.202 679 N N 0.338 119.129 118.700 0.153 0.000 2.338 679 N HA 0.041 4.781 4.740 0.001 0.000 0.251 679 N C 1.298 177.042 175.510 0.389 0.000 1.199 679 N CA -0.128 53.068 53.050 0.243 0.000 0.879 679 N CB 0.608 39.220 38.487 0.208 0.000 1.159 679 N HN 0.065 nan 8.380 nan 0.000 0.514 680 L N 0.934 122.299 121.223 0.237 0.000 2.079 680 L HA -0.160 4.180 4.340 0.001 0.000 0.210 680 L C 1.502 178.507 176.870 0.225 0.000 1.081 680 L CA 1.912 56.863 54.840 0.185 0.000 0.752 680 L CB -0.295 41.790 42.059 0.044 0.000 0.896 680 L HN 0.142 nan 8.230 nan 0.000 0.433 681 D N -1.122 119.393 120.400 0.191 0.000 2.123 681 D HA -0.244 4.396 4.640 0.001 0.000 0.196 681 D C 1.957 178.291 176.300 0.057 0.000 0.992 681 D CA 1.803 55.867 54.000 0.106 0.000 0.833 681 D CB -0.238 40.617 40.800 0.092 0.000 0.954 681 D HN 0.470 nan 8.370 nan 0.000 0.455 682 Y N -0.855 119.502 120.300 0.096 0.000 2.517 682 Y HA -0.023 4.528 4.550 0.001 0.000 0.281 682 Y C 1.939 177.875 175.900 0.060 0.000 1.125 682 Y CA 0.155 58.284 58.100 0.048 0.000 1.283 682 Y CB -0.236 38.218 38.460 -0.011 0.000 1.042 682 Y HN 0.010 nan 8.280 nan 0.000 0.547 683 Y N -0.173 120.228 120.300 0.169 0.000 2.163 683 Y HA -0.202 4.349 4.550 0.001 0.000 0.288 683 Y C 2.465 178.420 175.900 0.092 0.000 1.136 683 Y CA 1.428 59.613 58.100 0.141 0.000 1.147 683 Y CB -0.115 38.406 38.460 0.101 0.000 0.987 683 Y HN -0.113 nan 8.280 nan 0.000 0.509 684 R N 0.296 120.923 120.500 0.212 0.000 2.081 684 R HA -0.144 4.197 4.340 0.001 0.000 0.235 684 R C 1.549 177.877 176.300 0.046 0.000 1.131 684 R CA 1.493 57.649 56.100 0.094 0.000 0.960 684 R CB -0.601 29.729 30.300 0.050 0.000 0.856 684 R HN 0.459 nan 8.270 nan 0.000 0.436 685 N N 0.367 119.075 118.700 0.012 0.000 2.322 685 N HA -0.056 4.685 4.740 0.001 0.000 0.194 685 N C 0.367 175.886 175.510 0.014 0.000 1.126 685 N CA 0.613 53.645 53.050 -0.030 0.000 0.845 685 N CB 0.398 38.808 38.487 -0.128 0.000 0.976 685 N HN 0.054 nan 8.380 nan 0.000 0.475 686 S N -1.319 114.435 115.700 0.091 0.000 2.593 686 S HA 0.079 4.550 4.470 0.001 0.000 0.236 686 S C 0.532 175.262 174.600 0.216 0.000 0.991 686 S CA -0.426 57.882 58.200 0.181 0.000 0.963 686 S CB -0.599 62.770 63.200 0.281 0.000 0.865 686 S HN 0.332 nan 8.310 nan 0.000 0.488 687 T N -0.659 113.959 114.554 0.108 0.000 2.904 687 T HA 0.473 4.823 4.350 0.001 0.000 0.290 687 T C 1.385 176.110 174.700 0.042 0.000 1.018 687 T CA -0.509 61.625 62.100 0.057 0.000 1.075 687 T CB 1.269 70.131 68.868 -0.010 0.000 0.986 687 T HN -0.029 nan 8.240 nan 0.000 0.523 688 V N 2.152 122.081 119.914 0.026 0.000 2.515 688 V HA -0.132 3.989 4.120 0.001 0.000 0.250 688 V C 2.602 178.675 176.094 -0.035 0.000 1.058 688 V CA 1.573 63.869 62.300 -0.006 0.000 1.064 688 V CB -1.025 30.780 31.823 -0.030 0.000 0.675 688 V HN 0.832 nan 8.190 nan 0.000 0.461 689 M N 1.299 120.861 119.600 -0.063 0.000 2.267 689 M HA -0.143 4.338 4.480 0.001 0.000 0.263 689 M C 2.286 178.562 176.300 -0.041 0.000 1.063 689 M CA 1.965 57.216 55.300 -0.081 0.000 1.090 689 M CB -0.852 31.711 32.600 -0.062 0.000 1.392 689 M HN 0.530 nan 8.290 nan 0.000 0.422 690 S N -0.303 115.388 115.700 -0.015 0.000 2.481 690 S HA -0.043 4.428 4.470 0.001 0.000 0.231 690 S C 1.732 176.337 174.600 0.009 0.000 0.996 690 S CA 0.588 58.785 58.200 -0.005 0.000 0.942 690 S CB -0.281 62.917 63.200 -0.003 0.000 0.768 690 S HN 0.521 nan 8.310 nan 0.000 0.520 691 R N 0.267 120.787 120.500 0.034 0.000 2.546 691 R HA 0.488 4.829 4.340 0.001 0.000 0.320 691 R C 1.947 178.348 176.300 0.169 0.000 1.021 691 R CA 0.409 56.550 56.100 0.069 0.000 1.088 691 R CB -0.041 30.288 30.300 0.049 0.000 1.278 691 R HN 0.443 nan 8.270 nan 0.000 0.557 692 A N 1.286 124.160 122.820 0.091 0.000 1.948 692 A HA -0.269 4.051 4.320 0.001 0.000 0.220 692 A C 2.001 179.665 177.584 0.134 0.000 1.177 692 A CA 1.819 53.884 52.037 0.048 0.000 0.636 692 A CB -0.193 18.755 19.000 -0.086 0.000 0.815 692 A HN 0.243 nan 8.150 nan 0.000 0.449 693 E N 0.600 120.852 120.200 0.087 0.000 2.085 693 E HA -0.175 4.175 4.350 0.001 0.000 0.194 693 E C 1.622 178.275 176.600 0.089 0.000 0.994 693 E CA 1.871 58.315 56.400 0.074 0.000 0.801 693 E CB -0.546 29.180 29.700 0.042 0.000 0.743 693 E HN 0.793 nan 8.360 nan 0.000 0.453 694 N N -1.204 117.541 118.700 0.074 0.000 2.512 694 N HA -0.066 4.674 4.740 0.001 0.000 0.183 694 N C 0.775 176.257 175.510 -0.047 0.000 1.073 694 N CA 0.100 53.147 53.050 -0.005 0.000 0.911 694 N CB -0.110 38.331 38.487 -0.076 0.000 0.964 694 N HN 0.125 nan 8.380 nan 0.000 0.447 695 F N 1.293 121.199 119.950 -0.073 0.000 2.604 695 F HA 0.022 4.550 4.527 0.001 0.000 0.298 695 F C 1.987 177.793 175.800 0.011 0.000 1.131 695 F CA 0.729 58.680 58.000 -0.082 0.000 1.457 695 F CB 0.100 38.997 39.000 -0.171 0.000 1.095 695 F HN -0.102 nan 8.300 nan 0.000 0.574 696 K N -0.259 120.241 120.400 0.167 0.000 2.362 696 K HA -0.152 4.169 4.320 0.001 0.000 0.200 696 K C 1.620 178.283 176.600 0.106 0.000 1.046 696 K CA 0.904 57.274 56.287 0.138 0.000 0.952 696 K CB -0.039 32.523 32.500 0.102 0.000 0.753 696 K HN 0.300 nan 8.250 nan 0.000 0.466 697 Q N -0.320 119.521 119.800 0.068 0.000 2.392 697 Q HA 0.025 4.365 4.340 0.001 0.000 0.203 697 Q C 0.003 176.045 176.000 0.070 0.000 0.917 697 Q CA 0.030 55.865 55.803 0.053 0.000 0.939 697 Q CB 0.912 29.663 28.738 0.022 0.000 1.063 697 Q HN 0.118 nan 8.270 nan 0.000 0.516 698 V N -3.121 116.845 119.914 0.087 0.000 3.046 698 V HA 0.485 4.606 4.120 0.001 0.000 0.316 698 V C -0.706 175.529 176.094 0.234 0.000 1.104 698 V CA -1.239 61.139 62.300 0.130 0.000 1.006 698 V CB 2.185 34.043 31.823 0.058 0.000 1.058 698 V HN -0.076 nan 8.190 nan 0.000 0.440 699 E N 1.518 121.888 120.200 0.283 0.000 2.167 699 E HA 0.403 4.753 4.350 0.001 0.000 0.284 699 E C -1.788 175.196 176.600 0.640 0.000 1.016 699 E CA -0.347 56.297 56.400 0.407 0.000 0.817 699 E CB 1.363 31.233 29.700 0.283 0.000 1.080 699 E HN 0.671 nan 8.360 nan 0.000 0.397 700 Y N 3.543 124.116 120.300 0.455 0.000 2.393 700 Y HA 0.421 4.971 4.550 0.001 0.000 0.341 700 Y C -1.326 174.660 175.900 0.142 0.000 0.988 700 Y CA -1.301 57.012 58.100 0.356 0.000 1.078 700 Y CB 0.931 39.643 38.460 0.419 0.000 1.203 700 Y HN 0.412 nan 8.280 nan 0.000 0.453 701 L N 7.794 128.718 121.223 -0.500 0.000 2.342 701 L HA 0.453 4.793 4.340 0.001 0.000 0.276 701 L C -1.596 174.796 176.870 -0.796 0.000 0.997 701 L CA -0.716 53.677 54.840 -0.745 0.000 0.838 701 L CB 1.113 42.469 42.059 -1.171 0.000 1.224 701 L HN 0.616 nan 8.230 nan 0.000 0.416 702 L N 6.361 127.203 121.223 -0.635 0.000 2.265 702 L HA 0.548 4.888 4.340 0.001 0.000 0.289 702 L C -0.776 175.984 176.870 -0.183 0.000 1.033 702 L CA -0.436 54.134 54.840 -0.450 0.000 0.814 702 L CB 1.414 43.293 42.059 -0.300 0.000 1.203 702 L HN 0.586 nan 8.230 nan 0.000 0.423 703 I N 4.120 124.605 120.570 -0.142 0.000 2.509 703 I HA 0.470 4.641 4.170 0.001 0.000 0.293 703 I C -0.692 175.452 176.117 0.045 0.000 1.020 703 I CA -0.654 60.617 61.300 -0.049 0.000 1.088 703 I CB 1.821 39.748 38.000 -0.121 0.000 1.267 703 I HN 0.493 nan 8.210 nan 0.000 0.430 704 H N 3.287 122.441 119.070 0.141 0.000 3.087 704 H HA 0.366 4.923 4.556 0.001 0.000 0.348 704 H C -0.734 174.831 175.328 0.395 0.000 1.092 704 H CA -0.605 55.588 56.048 0.243 0.000 1.285 704 H CB 2.336 32.237 29.762 0.230 0.000 1.875 704 H HN 0.751 nan 8.280 nan 0.000 0.512 705 G N 1.447 110.574 108.800 0.546 0.000 2.370 705 G HA2 0.214 4.174 3.960 0.001 0.000 0.272 705 G HA3 0.214 4.174 3.960 0.001 0.000 0.272 705 G C 1.149 176.270 174.900 0.369 0.000 1.208 705 G CA 0.220 45.581 45.100 0.434 0.000 0.856 705 G HN 0.663 nan 8.290 nan 0.000 0.500 706 T N -0.377 114.203 114.554 0.043 0.000 2.915 706 T HA 0.021 4.371 4.350 0.001 0.000 0.269 706 T C 1.809 176.401 174.700 -0.180 0.000 1.071 706 T CA 1.323 63.214 62.100 -0.349 0.000 1.132 706 T CB 0.114 68.712 68.868 -0.449 0.000 0.878 706 T HN 0.670 nan 8.240 nan 0.000 0.479 707 A N 1.014 123.826 122.820 -0.014 0.000 2.532 707 A HA 0.281 4.601 4.320 0.001 0.000 0.273 707 A C 0.488 178.010 177.584 -0.103 0.000 1.342 707 A CA -0.483 51.537 52.037 -0.028 0.000 0.929 707 A CB -0.353 18.909 19.000 0.437 0.000 1.051 707 A HN 0.382 nan 8.150 nan 0.000 0.521 708 D N 1.557 121.917 120.400 -0.068 0.000 2.342 708 D HA -0.012 4.628 4.640 0.001 0.000 0.260 708 D C 0.349 176.609 176.300 -0.065 0.000 1.278 708 D CA 0.156 54.220 54.000 0.108 0.000 0.910 708 D CB 0.671 41.700 40.800 0.380 0.000 1.079 708 D HN 0.555 nan 8.370 nan 0.000 0.496 709 D N 2.482 122.914 120.400 0.053 0.000 2.347 709 D HA -0.141 4.499 4.640 0.001 0.000 0.213 709 D C 0.938 177.186 176.300 -0.087 0.000 0.985 709 D CA 0.057 54.057 54.000 0.002 0.000 0.879 709 D CB 0.427 41.177 40.800 -0.084 0.000 0.919 709 D HN 0.246 nan 8.370 nan 0.000 0.526 710 N N 0.823 119.546 118.700 0.038 0.000 2.358 710 N HA -0.042 4.698 4.740 0.001 0.000 0.209 710 N C -0.069 175.308 175.510 -0.223 0.000 1.033 710 N CA 0.400 53.496 53.050 0.077 0.000 1.021 710 N CB 0.383 38.871 38.487 0.002 0.000 1.244 710 N HN -0.110 nan 8.380 nan 0.000 0.523 711 V N 3.059 122.861 119.914 -0.187 0.000 2.339 711 V HA 0.154 4.274 4.120 0.001 0.000 0.261 711 V C -0.446 175.664 176.094 0.027 0.000 1.058 711 V CA -0.245 62.027 62.300 -0.046 0.000 0.897 711 V CB -0.577 31.280 31.823 0.057 0.000 1.052 711 V HN 0.294 nan 8.190 nan 0.000 0.480 712 H N 3.436 122.467 119.070 -0.067 0.000 2.815 712 H HA 0.028 4.584 4.556 0.001 0.000 0.350 712 H C 0.766 175.932 175.328 -0.269 0.000 1.080 712 H CA -0.202 55.728 56.048 -0.195 0.000 1.433 712 H CB 0.673 30.229 29.762 -0.343 0.000 1.432 712 H HN 0.608 nan 8.280 nan 0.000 0.592 713 F N 1.993 121.726 119.950 -0.362 0.000 2.184 713 F HA -0.328 4.200 4.527 0.001 0.000 0.301 713 F C 2.526 178.032 175.800 -0.490 0.000 1.076 713 F CA 1.848 59.447 58.000 -0.669 0.000 1.295 713 F CB -0.235 38.557 39.000 -0.346 0.000 1.026 713 F HN 0.672 nan 8.300 nan 0.000 0.494 714 Q N 0.145 119.749 119.800 -0.326 0.000 2.118 714 Q HA -0.327 4.014 4.340 0.001 0.000 0.211 714 Q C 2.165 177.859 176.000 -0.510 0.000 0.998 714 Q CA 2.440 57.991 55.803 -0.419 0.000 0.872 714 Q CB -0.378 28.105 28.738 -0.426 0.000 0.925 714 Q HN 0.576 nan 8.270 nan 0.000 0.414 715 Q N -0.409 119.146 119.800 -0.410 0.000 2.077 715 Q HA -0.157 4.184 4.340 0.001 0.000 0.206 715 Q C 2.262 178.142 176.000 -0.200 0.000 0.989 715 Q CA 1.853 57.545 55.803 -0.185 0.000 0.853 715 Q CB -0.193 28.535 28.738 -0.017 0.000 0.907 715 Q HN 0.331 nan 8.270 nan 0.000 0.418 716 S N 0.305 115.778 115.700 -0.378 0.000 2.395 716 S HA 0.008 4.478 4.470 0.001 0.000 0.225 716 S C 2.036 176.384 174.600 -0.421 0.000 1.027 716 S CA 0.681 58.682 58.200 -0.331 0.000 0.965 716 S CB -0.109 62.908 63.200 -0.305 0.000 0.812 716 S HN 0.482 nan 8.310 nan 0.000 0.482 717 A N 1.610 124.025 122.820 -0.674 0.000 1.892 717 A HA -0.186 4.134 4.320 0.001 0.000 0.218 717 A C 2.124 179.563 177.584 -0.242 0.000 1.188 717 A CA 1.381 53.130 52.037 -0.480 0.000 0.631 717 A CB -0.569 18.140 19.000 -0.485 0.000 0.822 717 A HN 0.414 nan 8.150 nan 0.000 0.447 718 Q N -1.186 118.483 119.800 -0.219 0.000 2.119 718 Q HA -0.118 4.223 4.340 0.001 0.000 0.201 718 Q C 2.142 178.094 176.000 -0.081 0.000 0.972 718 Q CA 1.343 57.089 55.803 -0.096 0.000 0.847 718 Q CB -0.454 28.285 28.738 0.002 0.000 0.903 718 Q HN 0.621 nan 8.270 nan 0.000 0.433 719 L N 1.210 122.365 121.223 -0.114 0.000 2.017 719 L HA -0.169 4.171 4.340 0.001 0.000 0.208 719 L C 2.437 179.166 176.870 -0.237 0.000 1.073 719 L CA 2.421 57.162 54.840 -0.164 0.000 0.745 719 L CB -0.969 40.998 42.059 -0.154 0.000 0.894 719 L HN 0.216 nan 8.230 nan 0.000 0.432 720 S N -0.782 114.811 115.700 -0.180 0.000 2.368 720 S HA -0.298 4.173 4.470 0.001 0.000 0.225 720 S C 2.169 176.768 174.600 -0.002 0.000 1.030 720 S CA 1.432 59.577 58.200 -0.092 0.000 0.999 720 S CB -0.693 62.590 63.200 0.138 0.000 0.844 720 S HN 0.575 nan 8.310 nan 0.000 0.459 721 K N 1.636 122.022 120.400 -0.023 0.000 2.063 721 K HA -0.010 4.311 4.320 0.001 0.000 0.208 721 K C 2.265 178.852 176.600 -0.021 0.000 1.048 721 K CA 1.292 57.578 56.287 -0.002 0.000 0.928 721 K CB -0.724 31.764 32.500 -0.020 0.000 0.713 721 K HN 0.469 nan 8.250 nan 0.000 0.442 722 A N 0.779 123.556 122.820 -0.071 0.000 1.930 722 A HA -0.072 4.249 4.320 0.001 0.000 0.217 722 A C 2.067 179.587 177.584 -0.107 0.000 1.175 722 A CA 1.181 53.170 52.037 -0.081 0.000 0.627 722 A CB -0.491 18.450 19.000 -0.099 0.000 0.815 722 A HN 0.315 nan 8.150 nan 0.000 0.443 723 L N -0.785 120.315 121.223 -0.204 0.000 2.056 723 L HA -0.130 4.211 4.340 0.001 0.000 0.207 723 L C 2.501 179.381 176.870 0.017 0.000 1.078 723 L CA 0.864 55.558 54.840 -0.243 0.000 0.749 723 L CB -0.505 41.110 42.059 -0.739 0.000 0.901 723 L HN 0.218 nan 8.230 nan 0.000 0.433 724 V N -0.158 119.831 119.914 0.125 0.000 2.343 724 V HA -0.306 3.815 4.120 0.001 0.000 0.247 724 V C 2.098 178.243 176.094 0.086 0.000 1.051 724 V CA 1.943 64.349 62.300 0.176 0.000 1.036 724 V CB -0.520 31.403 31.823 0.167 0.000 0.654 724 V HN 0.449 nan 8.190 nan 0.000 0.451 725 D N 0.415 120.841 120.400 0.043 0.000 2.178 725 D HA -0.114 4.526 4.640 0.001 0.000 0.201 725 D C 2.107 178.423 176.300 0.025 0.000 0.980 725 D CA 1.597 55.613 54.000 0.026 0.000 0.842 725 D CB -0.223 40.582 40.800 0.008 0.000 0.948 725 D HN 0.479 nan 8.370 nan 0.000 0.472 726 A N -0.248 122.584 122.820 0.020 0.000 2.119 726 A HA 0.320 4.640 4.320 0.001 0.000 0.216 726 A C 1.804 179.418 177.584 0.049 0.000 1.152 726 A CA 1.360 53.411 52.037 0.024 0.000 0.708 726 A CB -0.178 18.825 19.000 0.005 0.000 0.805 726 A HN 0.281 nan 8.150 nan 0.000 0.460 727 G N -1.624 107.218 108.800 0.071 0.000 2.132 727 G HA2 -0.154 3.807 3.960 0.001 0.000 0.228 727 G HA3 -0.154 3.807 3.960 0.001 0.000 0.228 727 G C 0.034 175.005 174.900 0.119 0.000 1.000 727 G CA 0.059 45.210 45.100 0.086 0.000 0.693 727 G HN 0.756 nan 8.290 nan 0.000 0.515 728 V N 0.820 120.827 119.914 0.156 0.000 2.461 728 V HA 0.441 4.562 4.120 0.001 0.000 0.275 728 V C 0.478 176.788 176.094 0.360 0.000 1.047 728 V CA -0.250 62.181 62.300 0.219 0.000 0.955 728 V CB 1.640 33.563 31.823 0.166 0.000 0.988 728 V HN 0.398 nan 8.190 nan 0.000 0.471 729 D N 4.563 125.139 120.400 0.293 0.000 2.264 729 D HA 0.560 5.200 4.640 0.001 0.000 0.250 729 D C -0.695 175.856 176.300 0.418 0.000 1.113 729 D CA 0.100 54.259 54.000 0.264 0.000 0.871 729 D CB 0.581 41.467 40.800 0.144 0.000 1.167 729 D HN 0.348 nan 8.370 nan 0.000 0.447 730 F N 0.295 120.330 119.950 0.142 0.000 2.693 730 F HA 0.423 4.950 4.527 0.001 0.000 0.309 730 F C -0.973 174.885 175.800 0.097 0.000 1.129 730 F CA -1.133 56.976 58.000 0.182 0.000 0.948 730 F CB 0.820 39.969 39.000 0.250 0.000 1.315 730 F HN 0.163 nan 8.300 nan 0.000 0.447 731 Q N 0.898 120.750 119.800 0.087 0.000 2.221 731 Q HA 0.667 5.007 4.340 0.001 0.000 0.242 731 Q C -1.121 174.822 176.000 -0.096 0.000 0.940 731 Q CA -0.627 55.135 55.803 -0.068 0.000 0.896 731 Q CB 2.133 30.880 28.738 0.015 0.000 1.226 731 Q HN 0.897 nan 8.270 nan 0.000 0.463 732 T N 1.427 115.903 114.554 -0.130 0.000 2.900 732 T HA 0.626 4.976 4.350 0.001 0.000 0.303 732 T C -1.688 172.916 174.700 -0.160 0.000 1.142 732 T CA -0.569 61.481 62.100 -0.084 0.000 1.007 732 T CB 1.073 69.936 68.868 -0.009 0.000 1.156 732 T HN 0.518 nan 8.240 nan 0.000 0.490 733 M N 3.982 123.482 119.600 -0.168 0.000 2.213 733 M HA 0.455 4.936 4.480 0.001 0.000 0.243 733 M C -1.856 174.298 176.300 -0.243 0.000 0.979 733 M CA -0.595 54.469 55.300 -0.393 0.000 1.037 733 M CB 0.824 33.078 32.600 -0.576 0.000 2.200 733 M HN 0.700 nan 8.290 nan 0.000 0.465 734 W N 4.337 125.511 121.300 -0.209 0.000 2.237 734 W HA 0.675 5.336 4.660 0.001 0.000 0.335 734 W C -1.875 174.412 176.519 -0.387 0.000 1.230 734 W CA -0.526 56.760 57.345 -0.099 0.000 1.253 734 W CB 0.143 29.571 29.460 -0.053 0.000 1.129 734 W HN 0.593 nan 8.180 nan 0.000 0.590 735 Y N 2.422 122.841 120.300 0.200 0.000 2.338 735 Y HA 0.289 4.840 4.550 0.001 0.000 0.328 735 Y C 0.433 176.433 175.900 0.168 0.000 0.965 735 Y CA -1.138 57.006 58.100 0.074 0.000 1.208 735 Y CB 1.524 39.987 38.460 0.005 0.000 1.132 735 Y HN 0.421 nan 8.280 nan 0.000 0.469 736 T N 4.757 119.485 114.554 0.290 0.000 2.829 736 T HA 0.014 4.365 4.350 0.001 0.000 0.293 736 T C 0.104 174.862 174.700 0.097 0.000 0.970 736 T CA 0.472 62.673 62.100 0.168 0.000 1.168 736 T CB -0.097 68.819 68.868 0.081 0.000 0.911 736 T HN 0.720 nan 8.240 nan 0.000 0.535 737 D N 0.667 121.091 120.400 0.039 0.000 3.046 737 D HA -0.122 4.518 4.640 0.001 0.000 0.210 737 D C 0.241 176.646 176.300 0.176 0.000 1.124 737 D CA 1.098 55.055 54.000 -0.072 0.000 0.986 737 D CB -0.419 40.132 40.800 -0.415 0.000 1.118 737 D HN 0.545 nan 8.370 nan 0.000 0.416 738 E N 1.174 121.494 120.200 0.201 0.000 2.331 738 E HA 0.290 4.641 4.350 0.001 0.000 0.272 738 E C 0.867 177.632 176.600 0.275 0.000 1.036 738 E CA -0.136 56.405 56.400 0.235 0.000 0.864 738 E CB 0.984 30.806 29.700 0.203 0.000 1.035 738 E HN 0.361 nan 8.360 nan 0.000 0.408 739 D N 0.141 120.723 120.400 0.303 0.000 2.481 739 D HA -0.011 4.630 4.640 0.001 0.000 0.283 739 D C 1.092 177.618 176.300 0.377 0.000 1.192 739 D CA -0.086 54.119 54.000 0.341 0.000 1.100 739 D CB -0.246 40.786 40.800 0.386 0.000 1.166 739 D HN 0.389 nan 8.370 nan 0.000 0.584 740 H N -1.452 117.789 119.070 0.285 0.000 2.457 740 H HA 0.157 4.714 4.556 0.001 0.000 0.294 740 H C 1.953 177.523 175.328 0.403 0.000 1.064 740 H CA 1.852 58.086 56.048 0.310 0.000 1.330 740 H CB -0.425 29.511 29.762 0.289 0.000 1.395 740 H HN 0.477 nan 8.280 nan 0.000 0.541 741 G N 0.002 108.982 108.800 0.301 0.000 2.464 741 G HA2 -0.038 3.923 3.960 0.001 0.000 0.217 741 G HA3 -0.038 3.923 3.960 0.001 0.000 0.217 741 G C 0.700 175.819 174.900 0.366 0.000 1.138 741 G CA 0.384 45.598 45.100 0.190 0.000 0.793 741 G HN 0.519 nan 8.290 nan 0.000 0.539 742 I N -0.005 120.760 120.570 0.325 0.000 6.272 742 I HA -0.312 3.858 4.170 0.001 0.000 0.126 742 I C 1.481 177.718 176.117 0.200 0.000 1.619 742 I CA 0.104 61.536 61.300 0.220 0.000 2.452 742 I CB -1.341 36.733 38.000 0.123 0.000 3.064 742 I HN 0.255 nan 8.210 nan 0.000 0.279 743 A N 1.078 123.992 122.820 0.157 0.000 2.348 743 A HA 0.275 4.595 4.320 0.001 0.000 0.224 743 A C 1.172 178.796 177.584 0.066 0.000 1.227 743 A CA 0.604 52.692 52.037 0.085 0.000 0.885 743 A CB 0.141 19.166 19.000 0.042 0.000 0.933 743 A HN 0.664 nan 8.150 nan 0.000 0.506 744 S N -0.013 115.747 115.700 0.099 0.000 2.562 744 S HA 0.024 4.495 4.470 0.001 0.000 0.281 744 S C 1.036 175.697 174.600 0.101 0.000 1.333 744 S CA -0.075 58.180 58.200 0.091 0.000 1.052 744 S CB 0.401 63.662 63.200 0.101 0.000 0.884 744 S HN 0.430 nan 8.310 nan 0.000 0.506 745 N N 2.261 121.011 118.700 0.084 0.000 2.037 745 N HA -0.147 4.593 4.740 0.001 0.000 0.196 745 N C 1.540 177.123 175.510 0.121 0.000 1.034 745 N CA 1.863 54.971 53.050 0.098 0.000 0.861 745 N CB -0.312 38.214 38.487 0.065 0.000 1.039 745 N HN 0.643 nan 8.380 nan 0.000 0.427 746 M N 0.398 120.053 119.600 0.093 0.000 2.200 746 M HA 0.026 4.506 4.480 0.001 0.000 0.265 746 M C 2.207 178.568 176.300 0.101 0.000 1.066 746 M CA 0.611 55.966 55.300 0.091 0.000 1.127 746 M CB -1.393 31.253 32.600 0.075 0.000 1.379 746 M HN 0.106 nan 8.290 nan 0.000 0.420 747 A N -0.960 121.898 122.820 0.062 0.000 1.898 747 A HA -0.200 4.120 4.320 0.001 0.000 0.216 747 A C 2.065 179.599 177.584 -0.083 0.000 1.181 747 A CA 2.026 54.025 52.037 -0.063 0.000 0.620 747 A CB -1.070 17.855 19.000 -0.124 0.000 0.819 747 A HN 0.562 nan 8.150 nan 0.000 0.442 748 H N -0.171 118.881 119.070 -0.030 0.000 2.353 748 H HA -0.152 4.405 4.556 0.001 0.000 0.298 748 H C 2.084 177.482 175.328 0.117 0.000 1.103 748 H CA 2.381 58.471 56.048 0.070 0.000 1.293 748 H CB -0.191 29.626 29.762 0.093 0.000 1.372 748 H HN 0.552 nan 8.280 nan 0.000 0.501 749 Q N -1.160 118.630 119.800 -0.016 0.000 2.119 749 Q HA -0.172 4.169 4.340 0.001 0.000 0.201 749 Q C 2.164 178.158 176.000 -0.009 0.000 0.972 749 Q CA 1.221 56.986 55.803 -0.065 0.000 0.847 749 Q CB -0.137 28.607 28.738 0.009 0.000 0.903 749 Q HN 0.667 nan 8.270 nan 0.000 0.433 750 H N 0.559 119.606 119.070 -0.038 0.000 2.363 750 H HA -0.041 4.515 4.556 0.001 0.000 0.301 750 H C 2.045 177.383 175.328 0.017 0.000 1.074 750 H CA 1.074 57.139 56.048 0.028 0.000 1.354 750 H CB 0.035 29.866 29.762 0.114 0.000 1.397 750 H HN 0.251 nan 8.280 nan 0.000 0.516 751 I N 0.185 120.730 120.570 -0.042 0.000 2.202 751 I HA -0.328 3.843 4.170 0.001 0.000 0.242 751 I C 1.773 177.675 176.117 -0.357 0.000 1.091 751 I CA 1.272 62.450 61.300 -0.203 0.000 1.368 751 I CB -0.243 37.428 38.000 -0.548 0.000 1.058 751 I HN 0.144 nan 8.210 nan 0.000 0.410 752 Y N 0.965 121.061 120.300 -0.339 0.000 2.293 752 Y HA -0.193 4.358 4.550 0.001 0.000 0.291 752 Y C 2.719 178.441 175.900 -0.297 0.000 1.137 752 Y CA 1.742 59.512 58.100 -0.550 0.000 1.202 752 Y CB -0.994 37.147 38.460 -0.531 0.000 0.990 752 Y HN 0.156 nan 8.280 nan 0.000 0.537 753 T N -1.459 113.067 114.554 -0.046 0.000 2.652 753 T HA -0.272 4.079 4.350 0.001 0.000 0.267 753 T C 1.596 176.314 174.700 0.031 0.000 1.039 753 T CA 2.055 64.131 62.100 -0.040 0.000 1.153 753 T CB -0.544 68.284 68.868 -0.066 0.000 0.863 753 T HN 0.438 nan 8.240 nan 0.000 0.428 754 H N 0.502 119.527 119.070 -0.075 0.000 2.353 754 H HA 0.114 4.671 4.556 0.001 0.000 0.300 754 H C 2.219 177.567 175.328 0.033 0.000 1.090 754 H CA 1.494 57.542 56.048 0.000 0.000 1.327 754 H CB -0.201 29.537 29.762 -0.040 0.000 1.383 754 H HN 0.243 nan 8.280 nan 0.000 0.508 755 M N -0.925 118.658 119.600 -0.029 0.000 2.175 755 M HA -0.157 4.323 4.480 0.001 0.000 0.264 755 M C 2.395 178.833 176.300 0.230 0.000 1.063 755 M CA 1.306 56.562 55.300 -0.072 0.000 1.119 755 M CB 0.083 32.324 32.600 -0.598 0.000 1.377 755 M HN 0.220 nan 8.290 nan 0.000 0.415 756 S N -0.703 115.169 115.700 0.288 0.000 2.356 756 S HA -0.151 4.320 4.470 0.001 0.000 0.223 756 S C 1.703 176.381 174.600 0.129 0.000 1.032 756 S CA 0.970 59.401 58.200 0.385 0.000 1.005 756 S CB -0.521 62.875 63.200 0.327 0.000 0.867 756 S HN 0.469 nan 8.310 nan 0.000 0.449 757 H N -0.433 118.695 119.070 0.097 0.000 2.387 757 H HA -0.053 4.504 4.556 0.001 0.000 0.299 757 H C 1.982 177.311 175.328 0.001 0.000 1.090 757 H CA 1.343 57.397 56.048 0.009 0.000 1.332 757 H CB -0.549 29.159 29.762 -0.089 0.000 1.386 757 H HN 0.443 nan 8.280 nan 0.000 0.516 758 F N 0.946 120.884 119.950 -0.021 0.000 2.113 758 F HA -0.121 4.406 4.527 0.001 0.000 0.297 758 F C 2.484 178.254 175.800 -0.048 0.000 1.103 758 F CA 0.813 58.782 58.000 -0.052 0.000 1.248 758 F CB -0.486 38.473 39.000 -0.069 0.000 0.999 758 F HN -0.006 nan 8.300 nan 0.000 0.475 759 L N 0.167 121.410 121.223 0.034 0.000 2.141 759 L HA -0.198 4.142 4.340 0.001 0.000 0.209 759 L C 2.353 179.056 176.870 -0.279 0.000 1.094 759 L CA 1.404 56.108 54.840 -0.228 0.000 0.763 759 L CB -0.460 41.545 42.059 -0.090 0.000 0.908 759 L HN 0.156 nan 8.230 nan 0.000 0.437 760 K N -0.617 119.740 120.400 -0.071 0.000 2.103 760 K HA -0.181 4.140 4.320 0.001 0.000 0.204 760 K C 2.001 178.597 176.600 -0.007 0.000 1.052 760 K CA 1.094 57.386 56.287 0.009 0.000 0.945 760 K CB 0.001 32.534 32.500 0.056 0.000 0.722 760 K HN 0.432 nan 8.250 nan 0.000 0.443 761 Q N 0.062 119.817 119.800 -0.075 0.000 2.079 761 Q HA -0.165 4.175 4.340 0.001 0.000 0.200 761 Q C 2.392 178.313 176.000 -0.133 0.000 0.974 761 Q CA 1.386 57.133 55.803 -0.094 0.000 0.840 761 Q CB -0.192 28.468 28.738 -0.129 0.000 0.898 761 Q HN 0.373 nan 8.270 nan 0.000 0.430 762 c N -0.223 118.207 118.600 -0.283 0.000 2.440 762 c HA -0.063 4.508 4.570 0.001 0.000 0.278 762 c C 1.837 175.963 174.090 0.059 0.000 1.295 762 c CA 0.301 56.483 56.329 -0.244 0.000 1.738 762 c CB -0.827 41.379 42.510 -0.508 0.000 1.987 762 c HN 0.421 nan 8.230 nan 0.000 0.492 763 F N 2.249 122.161 119.950 -0.064 0.000 2.773 763 F HA 0.217 4.745 4.527 0.001 0.000 0.304 763 F C 1.573 177.358 175.800 -0.024 0.000 1.129 763 F CA 0.423 58.408 58.000 -0.026 0.000 1.378 763 F CB -1.220 37.772 39.000 -0.014 0.000 1.095 763 F HN 0.301 nan 8.300 nan 0.000 0.565 764 S N 0.827 116.613 115.700 0.142 0.000 3.550 764 S HA -0.235 4.235 4.470 0.001 0.000 0.372 764 S C -0.174 174.469 174.600 0.071 0.000 0.966 764 S CA 0.132 58.377 58.200 0.074 0.000 1.229 764 S CB -2.239 60.992 63.200 0.051 0.000 0.917 764 S HN 0.279 nan 8.310 nan 0.000 0.496 765 L N 1.770 123.045 121.223 0.086 0.000 2.341 765 L HA 0.588 4.929 4.340 0.001 0.000 0.278 765 L C -1.545 175.360 176.870 0.059 0.000 1.005 765 L CA -1.923 52.962 54.840 0.075 0.000 0.818 765 L CB 1.623 43.747 42.059 0.107 0.000 1.259 765 L HN 0.113 nan 8.230 nan 0.000 0.418 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.129 63.100 0.048 0.000 0.800 766 P CB 0.000 31.722 31.700 0.036 0.000 0.726