REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2ajb_1_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 0.000 174.638 174.600 0.063 0.000 1.055 39 S CA 0.000 58.237 58.200 0.061 0.000 1.107 39 S CB 0.000 63.235 63.200 0.059 0.000 0.593 40 R N 1.381 121.925 120.500 0.074 0.000 2.902 40 R HA 0.794 5.134 4.340 -0.001 0.000 0.258 40 R C -0.476 175.869 176.300 0.075 0.000 1.071 40 R CA -1.179 54.967 56.100 0.076 0.000 1.024 40 R CB 1.072 31.423 30.300 0.085 0.000 1.184 40 R HN 0.104 nan 8.270 nan 0.000 0.492 41 R N 0.111 120.665 120.500 0.090 0.000 2.822 41 R HA 0.165 4.504 4.340 -0.001 0.000 0.277 41 R C 0.018 176.373 176.300 0.092 0.000 1.102 41 R CA 0.283 56.443 56.100 0.099 0.000 1.207 41 R CB 0.251 30.632 30.300 0.135 0.000 1.139 41 R HN 0.852 nan 8.270 nan 0.000 0.557 42 T N -2.741 111.871 114.554 0.097 0.000 2.930 42 T HA 0.226 4.575 4.350 -0.001 0.000 0.290 42 T C -0.941 173.839 174.700 0.134 0.000 1.052 42 T CA -0.788 61.367 62.100 0.092 0.000 1.017 42 T CB 0.946 69.860 68.868 0.077 0.000 1.137 42 T HN 0.446 nan 8.240 nan 0.000 0.511 43 Y N 2.730 123.016 120.300 -0.023 0.000 2.480 43 Y HA 0.398 4.947 4.550 -0.001 0.000 0.341 43 Y C 1.053 177.031 175.900 0.130 0.000 1.031 43 Y CA -0.059 58.005 58.100 -0.060 0.000 1.295 43 Y CB 0.129 38.505 38.460 -0.139 0.000 1.162 43 Y HN 1.024 nan 8.280 nan 0.000 0.523 44 T N 2.698 117.201 114.554 -0.085 0.000 2.912 44 T HA 0.178 4.528 4.350 -0.001 0.000 0.280 44 T C 0.911 175.461 174.700 -0.250 0.000 0.989 44 T CA -0.809 61.293 62.100 0.003 0.000 0.995 44 T CB 1.218 70.079 68.868 -0.012 0.000 1.077 44 T HN 0.644 nan 8.240 nan 0.000 0.531 45 L N 1.133 122.034 121.223 -0.537 0.000 2.046 45 L HA 0.024 4.364 4.340 -0.001 0.000 0.208 45 L C 2.662 179.382 176.870 -0.251 0.000 1.077 45 L CA 2.192 56.629 54.840 -0.672 0.000 0.747 45 L CB -1.578 40.058 42.059 -0.704 0.000 0.896 45 L HN 0.978 nan 8.230 nan 0.000 0.432 46 T N -0.437 114.010 114.554 -0.179 0.000 2.684 46 T HA -0.184 4.165 4.350 -0.001 0.000 0.267 46 T C 1.523 176.155 174.700 -0.113 0.000 1.036 46 T CA 1.526 63.560 62.100 -0.109 0.000 1.148 46 T CB -0.390 68.442 68.868 -0.059 0.000 0.863 46 T HN 0.415 nan 8.240 nan 0.000 0.436 47 D N 0.061 120.364 120.400 -0.162 0.000 2.116 47 D HA -0.127 4.513 4.640 -0.001 0.000 0.193 47 D C 1.797 177.967 176.300 -0.217 0.000 0.998 47 D CA 1.299 55.192 54.000 -0.179 0.000 0.836 47 D CB -0.387 40.120 40.800 -0.488 0.000 0.951 47 D HN 0.421 nan 8.370 nan 0.000 0.449 48 Y N 1.547 121.569 120.300 -0.465 0.000 2.133 48 Y HA -0.117 4.433 4.550 -0.001 0.000 0.287 48 Y C 2.332 178.225 175.900 -0.012 0.000 1.134 48 Y CA 1.169 59.197 58.100 -0.121 0.000 1.133 48 Y CB -0.718 37.752 38.460 0.018 0.000 0.987 48 Y HN -0.107 nan 8.280 nan 0.000 0.502 49 L N 0.055 121.067 121.223 -0.352 0.000 2.079 49 L HA -0.209 4.130 4.340 -0.001 0.000 0.210 49 L C 1.888 178.655 176.870 -0.172 0.000 1.081 49 L CA 1.483 56.105 54.840 -0.364 0.000 0.752 49 L CB -0.470 41.462 42.059 -0.211 0.000 0.896 49 L HN 0.070 nan 8.230 nan 0.000 0.433 50 K N -0.330 120.011 120.400 -0.099 0.000 2.387 50 K HA 0.172 4.491 4.320 -0.001 0.000 0.198 50 K C 0.694 177.289 176.600 -0.008 0.000 1.022 50 K CA 0.038 56.300 56.287 -0.042 0.000 1.128 50 K CB 0.407 32.890 32.500 -0.028 0.000 0.853 50 K HN 0.089 nan 8.250 nan 0.000 0.523 51 S N 0.809 116.516 115.700 0.011 0.000 3.549 51 S HA -0.156 4.313 4.470 -0.001 0.000 0.366 51 S C 1.262 175.934 174.600 0.120 0.000 1.012 51 S CA 1.126 59.385 58.200 0.097 0.000 1.141 51 S CB -1.893 61.345 63.200 0.063 0.000 0.910 51 S HN 0.645 nan 8.310 nan 0.000 0.471 52 T N -2.426 112.207 114.554 0.132 0.000 3.007 52 T HA 0.043 4.392 4.350 -0.001 0.000 0.270 52 T C 0.352 175.017 174.700 -0.058 0.000 1.107 52 T CA 0.725 62.841 62.100 0.026 0.000 1.118 52 T CB -0.389 68.468 68.868 -0.018 0.000 0.889 52 T HN 0.456 nan 8.240 nan 0.000 0.506 53 F N 2.026 122.055 119.950 0.133 0.000 2.300 53 F HA 0.549 5.075 4.527 -0.001 0.000 0.364 53 F C 0.515 176.422 175.800 0.178 0.000 1.090 53 F CA -1.472 56.641 58.000 0.189 0.000 1.200 53 F CB 0.648 39.848 39.000 0.333 0.000 1.493 53 F HN -0.141 nan 8.300 nan 0.000 0.518 54 R N 1.632 122.251 120.500 0.198 0.000 2.442 54 R HA 0.382 4.722 4.340 -0.001 0.000 0.291 54 R C -1.062 175.338 176.300 0.166 0.000 1.069 54 R CA -0.104 56.089 56.100 0.155 0.000 1.022 54 R CB 0.615 30.946 30.300 0.052 0.000 0.976 54 R HN 0.337 nan 8.270 nan 0.000 0.443 55 V N 6.358 126.390 119.914 0.197 0.000 2.350 55 V HA 0.271 4.390 4.120 -0.001 0.000 0.276 55 V C 0.239 176.389 176.094 0.094 0.000 1.028 55 V CA -0.519 61.910 62.300 0.215 0.000 0.860 55 V CB 1.137 33.164 31.823 0.341 0.000 0.990 55 V HN 0.722 nan 8.190 nan 0.000 0.453 56 K N 4.738 125.121 120.400 -0.028 0.000 2.090 56 K HA 0.726 5.045 4.320 -0.001 0.000 0.250 56 K C -0.702 175.766 176.600 -0.220 0.000 1.004 56 K CA -0.205 55.899 56.287 -0.305 0.000 0.919 56 K CB 1.107 33.461 32.500 -0.242 0.000 1.045 56 K HN 0.574 nan 8.250 nan 0.000 0.471 57 F N -1.756 118.104 119.950 -0.149 0.000 2.754 57 F HA 0.410 4.936 4.527 -0.001 0.000 0.320 57 F C -1.335 174.160 175.800 -0.507 0.000 1.156 57 F CA -1.389 56.303 58.000 -0.513 0.000 0.950 57 F CB 0.744 39.647 39.000 -0.162 0.000 1.388 57 F HN 0.370 nan 8.300 nan 0.000 0.485 58 Y N 0.951 120.855 120.300 -0.659 0.000 2.681 58 Y HA 0.477 5.026 4.550 -0.001 0.000 0.347 58 Y C -0.583 175.355 175.900 0.062 0.000 1.029 58 Y CA -0.587 57.386 58.100 -0.212 0.000 1.279 58 Y CB 0.906 39.152 38.460 -0.356 0.000 1.096 58 Y HN 0.742 nan 8.280 nan 0.000 0.580 59 T N 6.546 121.153 114.554 0.089 0.000 2.761 59 T HA 0.439 4.788 4.350 -0.001 0.000 0.296 59 T C -0.421 174.275 174.700 -0.007 0.000 0.934 59 T CA -0.108 62.034 62.100 0.070 0.000 1.091 59 T CB -0.023 68.890 68.868 0.075 0.000 0.896 59 T HN 0.550 nan 8.240 nan 0.000 0.515 60 L N 1.861 123.074 121.223 -0.017 0.000 2.257 60 L HA 0.767 5.106 4.340 -0.001 0.000 0.257 60 L C -0.669 176.166 176.870 -0.059 0.000 1.033 60 L CA -1.028 53.766 54.840 -0.077 0.000 0.835 60 L CB 1.649 43.448 42.059 -0.434 0.000 1.398 60 L HN 0.374 nan 8.230 nan 0.000 0.429 61 Q N 0.568 120.354 119.800 -0.023 0.000 2.695 61 Q HA 0.301 4.641 4.340 -0.001 0.000 0.246 61 Q C -1.930 174.136 176.000 0.110 0.000 0.961 61 Q CA -0.217 55.621 55.803 0.060 0.000 0.708 61 Q CB 1.173 29.984 28.738 0.122 0.000 1.282 61 Q HN 0.632 nan 8.270 nan 0.000 0.482 62 W N 4.170 125.580 121.300 0.183 0.000 2.347 62 W HA -0.001 4.658 4.660 -0.001 0.000 0.333 62 W C 1.289 177.888 176.519 0.133 0.000 1.383 62 W CA -0.035 57.422 57.345 0.187 0.000 1.283 62 W CB 0.357 29.921 29.460 0.174 0.000 1.253 62 W HN 0.648 nan 8.180 nan 0.000 0.563 63 I N 0.907 121.687 120.570 0.351 0.000 4.147 63 I HA 0.372 4.541 4.170 -0.001 0.000 0.329 63 I C 0.455 176.658 176.117 0.143 0.000 1.424 63 I CA -0.187 61.220 61.300 0.178 0.000 1.127 63 I CB -0.162 37.867 38.000 0.049 0.000 1.128 63 I HN 0.243 nan 8.210 nan 0.000 0.417 64 S N 0.226 116.044 115.700 0.198 0.000 2.694 64 S HA 0.139 4.609 4.470 -0.001 0.000 0.273 64 S C 0.013 174.707 174.600 0.158 0.000 1.180 64 S CA 0.009 58.281 58.200 0.120 0.000 0.864 64 S CB 0.695 63.886 63.200 -0.015 0.000 1.198 64 S HN 0.325 nan 8.310 nan 0.000 0.499 65 D N 0.247 120.748 120.400 0.169 0.000 2.363 65 D HA -0.084 4.556 4.640 -0.001 0.000 0.220 65 D C 0.919 177.402 176.300 0.306 0.000 0.994 65 D CA 1.348 55.466 54.000 0.196 0.000 0.890 65 D CB -0.533 40.403 40.800 0.227 0.000 0.906 65 D HN 0.875 nan 8.370 nan 0.000 0.530 66 H N -1.871 117.335 119.070 0.227 0.000 3.427 66 H HA 0.436 4.991 4.556 -0.001 0.000 0.262 66 H C -0.839 174.629 175.328 0.235 0.000 1.148 66 H CA -0.492 55.688 56.048 0.219 0.000 1.048 66 H CB -0.467 29.384 29.762 0.148 0.000 2.325 66 H HN 0.009 nan 8.280 nan 0.000 0.768 67 E N 1.080 121.293 120.200 0.021 0.000 2.340 67 E HA 0.473 4.822 4.350 -0.001 0.000 0.273 67 E C -1.674 175.062 176.600 0.226 0.000 0.891 67 E CA -1.167 55.222 56.400 -0.019 0.000 0.757 67 E CB 2.854 32.409 29.700 -0.242 0.000 1.231 67 E HN 0.322 nan 8.360 nan 0.000 0.439 68 Y N -0.384 119.892 120.300 -0.041 0.000 2.544 68 Y HA 0.597 5.147 4.550 -0.001 0.000 0.342 68 Y C -1.716 174.152 175.900 -0.053 0.000 1.062 68 Y CA -1.313 56.684 58.100 -0.171 0.000 1.023 68 Y CB 0.710 38.709 38.460 -0.769 0.000 1.308 68 Y HN 0.359 nan 8.280 nan 0.000 0.457 69 L N 3.477 124.796 121.223 0.160 0.000 2.399 69 L HA 0.519 4.858 4.340 -0.001 0.000 0.265 69 L C -1.161 175.927 176.870 0.363 0.000 1.089 69 L CA -1.030 53.905 54.840 0.158 0.000 0.802 69 L CB 1.362 43.460 42.059 0.066 0.000 1.180 69 L HN 0.823 nan 8.230 nan 0.000 0.454 70 Y N 1.576 121.975 120.300 0.165 0.000 2.399 70 Y HA 0.280 4.830 4.550 -0.001 0.000 0.327 70 Y C -0.887 175.042 175.900 0.047 0.000 1.111 70 Y CA -1.129 57.024 58.100 0.089 0.000 1.047 70 Y CB 1.332 39.828 38.460 0.059 0.000 1.259 70 Y HN 0.429 nan 8.280 nan 0.000 0.434 71 K N 5.240 125.298 120.400 -0.570 0.000 2.262 71 K HA 0.307 4.626 4.320 -0.001 0.000 0.282 71 K C -1.071 175.060 176.600 -0.782 0.000 1.066 71 K CA -0.431 55.552 56.287 -0.507 0.000 0.901 71 K CB 0.850 33.204 32.500 -0.243 0.000 1.089 71 K HN 0.835 nan 8.250 nan 0.000 0.476 72 Q N 3.758 123.288 119.800 -0.449 0.000 2.331 72 Q HA 0.115 4.454 4.340 -0.001 0.000 0.267 72 Q C -0.523 175.361 176.000 -0.192 0.000 1.006 72 Q CA -0.084 55.558 55.803 -0.268 0.000 0.818 72 Q CB 1.047 29.819 28.738 0.056 0.000 1.276 72 Q HN 0.840 nan 8.270 nan 0.000 0.450 73 E N 2.365 122.458 120.200 -0.178 0.000 3.979 73 E HA -0.401 3.948 4.350 -0.001 0.000 0.208 73 E C 0.055 176.508 176.600 -0.246 0.000 1.230 73 E CA 1.389 57.690 56.400 -0.166 0.000 2.178 73 E CB -0.927 28.698 29.700 -0.125 0.000 1.846 73 E HN 0.682 nan 8.360 nan 0.000 0.311 74 N N 1.232 119.744 118.700 -0.313 0.000 1.997 74 N HA 0.058 4.797 4.740 -0.001 0.000 0.225 74 N C -1.703 173.400 175.510 -0.679 0.000 1.383 74 N CA 0.530 53.251 53.050 -0.550 0.000 0.770 74 N CB 0.424 38.586 38.487 -0.541 0.000 1.178 74 N HN 0.361 nan 8.380 nan 0.000 0.515 75 N N 0.220 118.715 118.700 -0.340 0.000 2.321 75 N HA 0.457 5.196 4.740 -0.001 0.000 0.299 75 N C -0.601 174.846 175.510 -0.105 0.000 1.048 75 N CA -0.545 52.408 53.050 -0.161 0.000 0.836 75 N CB 1.719 40.168 38.487 -0.065 0.000 1.269 75 N HN -0.035 nan 8.380 nan 0.000 0.486 76 I N 1.674 122.231 120.570 -0.022 0.000 2.416 76 I HA 0.201 4.370 4.170 -0.001 0.000 0.288 76 I C -0.302 175.870 176.117 0.092 0.000 1.051 76 I CA -0.572 60.702 61.300 -0.043 0.000 1.375 76 I CB 0.383 38.306 38.000 -0.129 0.000 1.407 76 I HN 0.331 nan 8.210 nan 0.000 0.516 77 L N 6.618 127.919 121.223 0.130 0.000 2.334 77 L HA 0.497 4.836 4.340 -0.001 0.000 0.273 77 L C -0.655 176.278 176.870 0.105 0.000 1.013 77 L CA -0.909 54.001 54.840 0.118 0.000 0.816 77 L CB 1.920 44.065 42.059 0.144 0.000 1.278 77 L HN 0.414 nan 8.230 nan 0.000 0.431 78 L N 2.900 124.100 121.223 -0.038 0.000 2.295 78 L HA 0.504 4.843 4.340 -0.001 0.000 0.281 78 L C -0.973 175.752 176.870 -0.242 0.000 1.018 78 L CA 0.151 54.948 54.840 -0.072 0.000 0.841 78 L CB 0.284 42.363 42.059 0.033 0.000 1.218 78 L HN 0.207 nan 8.230 nan 0.000 0.424 79 F N 3.488 123.188 119.950 -0.416 0.000 2.379 79 F HA 0.410 4.936 4.527 -0.001 0.000 0.332 79 F C 0.871 176.395 175.800 -0.460 0.000 1.096 79 F CA -0.351 57.352 58.000 -0.495 0.000 1.105 79 F CB 1.063 39.554 39.000 -0.848 0.000 1.189 79 F HN 0.487 nan 8.300 nan 0.000 0.515 80 N N 1.513 120.154 118.700 -0.097 0.000 2.417 80 N HA 0.340 5.079 4.740 -0.001 0.000 0.274 80 N C 0.073 175.541 175.510 -0.071 0.000 0.987 80 N CA -0.081 52.929 53.050 -0.067 0.000 0.912 80 N CB 1.904 40.393 38.487 0.003 0.000 1.177 80 N HN 0.762 nan 8.380 nan 0.000 0.490 81 A N 3.035 125.777 122.820 -0.131 0.000 2.169 81 A HA -0.026 4.293 4.320 -0.001 0.000 0.212 81 A C 1.627 178.984 177.584 -0.379 0.000 1.153 81 A CA 0.705 52.566 52.037 -0.293 0.000 0.756 81 A CB -0.126 18.531 19.000 -0.571 0.000 0.813 81 A HN 0.839 nan 8.150 nan 0.000 0.471 82 E N -1.800 118.232 120.200 -0.280 0.000 2.318 82 E HA -0.072 4.278 4.350 -0.001 0.000 0.193 82 E C 0.560 177.094 176.600 -0.110 0.000 0.998 82 E CA 0.698 56.971 56.400 -0.212 0.000 0.859 82 E CB 0.075 29.511 29.700 -0.439 0.000 0.812 82 E HN 0.666 nan 8.360 nan 0.000 0.492 83 Y N -1.635 118.693 120.300 0.048 0.000 2.432 83 Y HA 0.375 4.925 4.550 -0.001 0.000 0.252 83 Y C 1.515 177.428 175.900 0.022 0.000 1.097 83 Y CA 0.099 58.220 58.100 0.035 0.000 1.250 83 Y CB 1.053 39.531 38.460 0.031 0.000 1.245 83 Y HN 0.156 nan 8.280 nan 0.000 0.522 84 G N 1.019 109.899 108.800 0.133 0.000 2.304 84 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.252 84 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.252 84 G C 0.359 175.309 174.900 0.084 0.000 1.014 84 G CA 0.316 45.474 45.100 0.096 0.000 0.619 84 G HN 0.451 nan 8.290 nan 0.000 0.525 85 N N 1.097 119.848 118.700 0.086 0.000 2.503 85 N HA 0.535 5.274 4.740 -0.001 0.000 0.267 85 N C 0.188 175.650 175.510 -0.080 0.000 1.214 85 N CA 0.780 53.840 53.050 0.016 0.000 0.959 85 N CB 1.518 40.033 38.487 0.047 0.000 1.142 85 N HN 0.984 nan 8.380 nan 0.000 0.455 86 S N -0.530 115.041 115.700 -0.215 0.000 2.811 86 S HA 0.822 5.291 4.470 -0.001 0.000 0.311 86 S C -0.901 173.525 174.600 -0.291 0.000 1.152 86 S CA -0.688 57.246 58.200 -0.442 0.000 0.864 86 S CB 1.084 63.597 63.200 -1.145 0.000 1.226 86 S HN 1.210 nan 8.310 nan 0.000 0.541 87 S N -0.314 115.209 115.700 -0.294 0.000 2.581 87 S HA 0.323 4.793 4.470 -0.001 0.000 0.306 87 S C -0.816 173.736 174.600 -0.080 0.000 1.080 87 S CA -0.964 57.148 58.200 -0.146 0.000 0.925 87 S CB -0.854 62.302 63.200 -0.073 0.000 1.128 87 S HN 0.858 nan 8.310 nan 0.000 0.451 88 I N 3.510 124.043 120.570 -0.062 0.000 3.114 88 I HA -0.103 4.066 4.170 -0.001 0.000 0.320 88 I C 1.183 177.334 176.117 0.056 0.000 1.230 88 I CA 0.540 61.840 61.300 0.000 0.000 1.440 88 I CB 0.047 38.038 38.000 -0.015 0.000 1.334 88 I HN 0.806 nan 8.210 nan 0.000 0.532 89 F N 8.153 128.075 119.950 -0.047 0.000 2.473 89 F HA 0.204 4.731 4.527 -0.001 0.000 0.294 89 F C 0.488 176.277 175.800 -0.018 0.000 1.103 89 F CA 0.280 58.261 58.000 -0.031 0.000 1.442 89 F CB 0.509 39.497 39.000 -0.021 0.000 1.097 89 F HN 0.332 nan 8.300 nan 0.000 0.547 90 L N -0.142 121.131 121.223 0.084 0.000 2.847 90 L HA 0.341 4.680 4.340 -0.001 0.000 0.261 90 L C -1.034 175.885 176.870 0.082 0.000 0.926 90 L CA -0.700 54.148 54.840 0.012 0.000 1.010 90 L CB 0.605 42.673 42.059 0.016 0.000 1.538 90 L HN -0.055 nan 8.230 nan 0.000 0.465 91 E N 2.312 122.530 120.200 0.030 0.000 2.425 91 E HA 0.007 4.356 4.350 -0.001 0.000 0.258 91 E C 0.654 177.323 176.600 0.115 0.000 1.151 91 E CA 0.074 56.500 56.400 0.043 0.000 0.958 91 E CB 0.960 30.661 29.700 0.002 0.000 0.968 91 E HN 0.732 nan 8.360 nan 0.000 0.451 92 N N 0.919 119.636 118.700 0.029 0.000 2.043 92 N HA -0.155 4.585 4.740 -0.001 0.000 0.193 92 N C 0.552 176.115 175.510 0.088 0.000 1.037 92 N CA 1.435 54.471 53.050 -0.024 0.000 0.851 92 N CB -0.188 38.247 38.487 -0.087 0.000 1.027 92 N HN 0.351 nan 8.380 nan 0.000 0.422 93 S N -0.504 115.217 115.700 0.034 0.000 3.988 93 S HA 0.141 4.610 4.470 -0.001 0.000 0.180 93 S C 0.246 174.844 174.600 -0.003 0.000 1.242 93 S CA -0.048 58.162 58.200 0.016 0.000 0.947 93 S CB -0.199 62.995 63.200 -0.008 0.000 1.519 93 S HN 0.278 nan 8.310 nan 0.000 0.439 94 T N -0.021 114.542 114.554 0.014 0.000 3.328 94 T HA 0.219 4.568 4.350 -0.001 0.000 0.297 94 T C -0.407 174.016 174.700 -0.461 0.000 0.882 94 T CA -0.354 61.608 62.100 -0.230 0.000 0.906 94 T CB -0.062 68.568 68.868 -0.397 0.000 1.210 94 T HN 0.532 nan 8.240 nan 0.000 0.631 95 F N 3.079 122.829 119.950 -0.332 0.000 2.300 95 F HA 0.380 4.907 4.527 -0.001 0.000 0.364 95 F C -0.219 175.422 175.800 -0.264 0.000 1.090 95 F CA -1.037 56.730 58.000 -0.389 0.000 1.200 95 F CB 0.630 39.436 39.000 -0.324 0.000 1.493 95 F HN -0.063 nan 8.300 nan 0.000 0.518 96 D N 3.891 124.198 120.400 -0.155 0.000 2.524 96 D HA 0.007 4.647 4.640 -0.001 0.000 0.222 96 D C 0.344 176.548 176.300 -0.161 0.000 1.142 96 D CA -0.148 53.779 54.000 -0.122 0.000 0.973 96 D CB 0.559 41.292 40.800 -0.111 0.000 1.025 96 D HN 0.508 nan 8.370 nan 0.000 0.519 97 E N 1.575 121.699 120.200 -0.127 0.000 2.696 97 E HA -0.158 4.192 4.350 -0.001 0.000 0.270 97 E C -0.379 176.110 176.600 -0.185 0.000 0.958 97 E CA 0.517 56.829 56.400 -0.146 0.000 0.964 97 E CB 0.892 30.551 29.700 -0.069 0.000 0.948 97 E HN 0.442 nan 8.360 nan 0.000 0.472 98 L N 2.577 123.649 121.223 -0.252 0.000 2.913 98 L HA 0.436 4.776 4.340 -0.001 0.000 0.283 98 L C 0.767 177.597 176.870 -0.066 0.000 1.336 98 L CA 0.018 54.737 54.840 -0.203 0.000 0.815 98 L CB 0.318 42.182 42.059 -0.324 0.000 1.188 98 L HN 0.891 nan 8.230 nan 0.000 0.551 99 G N -0.919 107.831 108.800 -0.083 0.000 3.118 99 G HA2 -0.051 3.909 3.960 -0.001 0.000 0.105 99 G HA3 -0.051 3.909 3.960 -0.001 0.000 0.105 99 G C -0.402 174.254 174.900 -0.407 0.000 1.918 99 G CA 0.063 45.075 45.100 -0.147 0.000 1.038 99 G HN 0.045 nan 8.290 nan 0.000 0.293 100 Y N 0.358 120.682 120.300 0.040 0.000 2.387 100 Y HA 0.774 5.324 4.550 -0.001 0.000 0.088 100 Y C 1.485 177.392 175.900 0.012 0.000 0.961 100 Y CA 0.365 58.479 58.100 0.023 0.000 1.783 100 Y CB -0.300 38.178 38.460 0.031 0.000 1.102 100 Y HN 0.467 nan 8.280 nan 0.000 0.209 101 S N -0.171 115.673 115.700 0.240 0.000 2.661 101 S HA 0.650 5.119 4.470 -0.001 0.000 0.265 101 S C -0.135 174.540 174.600 0.125 0.000 1.225 101 S CA 0.462 58.728 58.200 0.111 0.000 0.986 101 S CB 0.462 63.695 63.200 0.055 0.000 1.008 101 S HN 0.665 nan 8.310 nan 0.000 0.565 102 T N -0.384 114.227 114.554 0.094 0.000 2.626 102 T HA 0.455 4.805 4.350 -0.001 0.000 0.299 102 T C -0.839 173.962 174.700 0.169 0.000 1.181 102 T CA -0.458 61.731 62.100 0.149 0.000 1.053 102 T CB -0.041 68.889 68.868 0.104 0.000 1.566 102 T HN 1.292 nan 8.240 nan 0.000 0.486 103 N N 0.256 119.114 118.700 0.263 0.000 4.417 103 N HA -0.241 4.498 4.740 -0.001 0.000 0.333 103 N C -0.613 175.076 175.510 0.298 0.000 1.488 103 N CA 1.331 54.608 53.050 0.378 0.000 3.088 103 N CB -0.842 37.989 38.487 0.574 0.000 0.331 103 N HN 1.134 nan 8.380 nan 0.000 0.898 104 D N -0.126 120.491 120.400 0.363 0.000 2.319 104 D HA -0.014 4.626 4.640 -0.001 0.000 0.406 104 D C -0.213 176.181 176.300 0.157 0.000 1.087 104 D CA 0.744 54.874 54.000 0.218 0.000 0.945 104 D CB -0.178 40.690 40.800 0.113 0.000 1.430 104 D HN 0.776 nan 8.370 nan 0.000 0.487 105 Y N 0.551 121.043 120.300 0.320 0.000 3.099 105 Y HA -0.089 4.460 4.550 -0.001 0.000 0.395 105 Y C -0.884 175.131 175.900 0.192 0.000 1.257 105 Y CA 0.323 58.583 58.100 0.267 0.000 1.404 105 Y CB -1.133 37.548 38.460 0.369 0.000 1.224 105 Y HN 0.031 nan 8.280 nan 0.000 0.500 106 S N 3.797 119.588 115.700 0.151 0.000 2.706 106 S HA 0.567 5.036 4.470 -0.001 0.000 0.270 106 S C -1.393 173.449 174.600 0.404 0.000 1.163 106 S CA -0.406 57.908 58.200 0.190 0.000 1.042 106 S CB 0.655 64.001 63.200 0.243 0.000 1.079 106 S HN 0.949 nan 8.310 nan 0.000 0.474 107 V N 5.174 125.222 119.914 0.222 0.000 2.461 107 V HA 0.406 4.526 4.120 -0.001 0.000 0.275 107 V C 0.847 176.736 176.094 -0.342 0.000 1.047 107 V CA -0.544 61.769 62.300 0.022 0.000 0.955 107 V CB 1.179 33.016 31.823 0.024 0.000 0.988 107 V HN 0.994 nan 8.190 nan 0.000 0.471 108 S N 7.078 122.194 115.700 -0.972 0.000 2.552 108 S HA 0.114 4.584 4.470 -0.001 0.000 0.289 108 S C -0.986 173.332 174.600 -0.471 0.000 1.304 108 S CA -0.654 56.738 58.200 -1.347 0.000 1.063 108 S CB 0.657 62.868 63.200 -1.648 0.000 0.848 108 S HN 0.667 nan 8.310 nan 0.000 0.499 109 P HA -0.238 nan 4.420 nan 0.000 0.218 109 P C 0.898 178.153 177.300 -0.075 0.000 1.154 109 P CA 1.924 64.962 63.100 -0.103 0.000 0.872 109 P CB -0.268 31.401 31.700 -0.051 0.000 0.790 110 D N -0.811 119.541 120.400 -0.080 0.000 2.378 110 D HA -0.123 4.516 4.640 -0.001 0.000 0.227 110 D C 0.532 176.805 176.300 -0.045 0.000 1.012 110 D CA -0.013 53.973 54.000 -0.023 0.000 0.905 110 D CB -0.955 39.879 40.800 0.057 0.000 0.895 110 D HN 0.056 nan 8.370 nan 0.000 0.532 111 R N -0.945 119.512 120.500 -0.073 0.000 3.516 111 R HA -0.235 4.105 4.340 -0.001 0.000 0.271 111 R C 0.739 176.992 176.300 -0.079 0.000 1.098 111 R CA 1.078 57.177 56.100 -0.002 0.000 0.732 111 R CB -2.325 28.045 30.300 0.117 0.000 1.152 111 R HN 0.393 nan 8.270 nan 0.000 0.455 112 Q N -1.290 118.376 119.800 -0.223 0.000 2.317 112 Q HA 0.249 4.588 4.340 -0.001 0.000 0.220 112 Q C -0.333 175.180 176.000 -0.812 0.000 0.873 112 Q CA 0.495 55.999 55.803 -0.499 0.000 0.936 112 Q CB 0.609 28.974 28.738 -0.622 0.000 1.105 112 Q HN 0.186 nan 8.270 nan 0.000 0.520 113 F N -0.663 119.157 119.950 -0.217 0.000 2.664 113 F HA 0.553 5.079 4.527 -0.001 0.000 0.317 113 F C -0.832 174.907 175.800 -0.102 0.000 1.108 113 F CA -1.186 56.739 58.000 -0.124 0.000 0.957 113 F CB 1.660 40.608 39.000 -0.086 0.000 1.365 113 F HN -0.253 nan 8.300 nan 0.000 0.475 114 I N 1.850 122.599 120.570 0.299 0.000 2.656 114 I HA 0.529 4.699 4.170 -0.001 0.000 0.292 114 I C -2.087 174.090 176.117 0.100 0.000 1.144 114 I CA -0.940 60.439 61.300 0.132 0.000 1.038 114 I CB 1.902 39.833 38.000 -0.115 0.000 1.244 114 I HN 0.519 nan 8.210 nan 0.000 0.420 115 L N 7.513 128.861 121.223 0.209 0.000 2.295 115 L HA 0.582 4.922 4.340 -0.001 0.000 0.285 115 L C -1.593 175.230 176.870 -0.079 0.000 1.035 115 L CA 0.160 55.070 54.840 0.116 0.000 0.806 115 L CB 1.233 43.383 42.059 0.152 0.000 1.214 115 L HN 0.404 nan 8.230 nan 0.000 0.426 116 F N 3.462 123.585 119.950 0.290 0.000 2.449 116 F HA 0.404 4.930 4.527 -0.001 0.000 0.342 116 F C 0.163 176.069 175.800 0.177 0.000 1.127 116 F CA -0.627 57.517 58.000 0.240 0.000 0.975 116 F CB 1.584 40.676 39.000 0.154 0.000 1.146 116 F HN 0.438 nan 8.300 nan 0.000 0.444 117 E N 4.952 125.303 120.200 0.251 0.000 2.134 117 E HA 0.352 4.701 4.350 -0.001 0.000 0.278 117 E C -1.587 175.021 176.600 0.013 0.000 0.959 117 E CA -0.538 55.744 56.400 -0.197 0.000 0.783 117 E CB 1.051 30.586 29.700 -0.274 0.000 1.095 117 E HN 0.600 nan 8.360 nan 0.000 0.399 118 Y N 1.916 122.108 120.300 -0.180 0.000 2.655 118 Y HA 0.439 4.989 4.550 -0.001 0.000 0.336 118 Y C -0.026 175.853 175.900 -0.035 0.000 1.154 118 Y CA -1.503 56.570 58.100 -0.045 0.000 1.055 118 Y CB 0.864 39.332 38.460 0.013 0.000 1.295 118 Y HN 0.564 nan 8.280 nan 0.000 0.465 119 N N 0.661 119.412 118.700 0.086 0.000 2.783 119 N HA -0.276 4.463 4.740 -0.001 0.000 0.247 119 N C -1.187 174.313 175.510 -0.016 0.000 1.089 119 N CA 0.562 53.632 53.050 0.034 0.000 0.690 119 N CB -0.896 37.516 38.487 -0.125 0.000 0.991 119 N HN 0.907 nan 8.380 nan 0.000 0.552 120 Y N 0.235 120.451 120.300 -0.141 0.000 2.632 120 Y HA 0.228 4.777 4.550 -0.001 0.000 0.329 120 Y C 0.301 176.135 175.900 -0.111 0.000 1.174 120 Y CA 0.181 58.171 58.100 -0.183 0.000 1.469 120 Y CB 0.627 38.918 38.460 -0.282 0.000 1.242 120 Y HN 0.013 nan 8.280 nan 0.000 0.540 121 V N 7.961 127.788 119.914 -0.146 0.000 2.327 121 V HA 0.148 4.268 4.120 -0.001 0.000 0.272 121 V C -0.147 175.853 176.094 -0.157 0.000 1.019 121 V CA -1.295 60.961 62.300 -0.073 0.000 0.814 121 V CB 0.727 32.517 31.823 -0.054 0.000 1.040 121 V HN 0.705 nan 8.190 nan 0.000 0.440 122 K N 3.313 123.675 120.400 -0.064 0.000 2.489 122 K HA 0.066 4.385 4.320 -0.001 0.000 0.278 122 K C 0.502 177.020 176.600 -0.136 0.000 1.000 122 K CA 0.508 56.777 56.287 -0.030 0.000 1.012 122 K CB 1.051 33.664 32.500 0.189 0.000 0.903 122 K HN 0.786 nan 8.250 nan 0.000 0.485 123 Q N 3.477 123.125 119.800 -0.254 0.000 2.729 123 Q HA 0.156 4.496 4.340 -0.001 0.000 0.228 123 Q C 0.116 175.855 176.000 -0.435 0.000 1.021 123 Q CA -0.393 55.043 55.803 -0.612 0.000 0.561 123 Q CB 0.033 28.196 28.738 -0.958 0.000 3.921 123 Q HN 0.748 nan 8.270 nan 0.000 0.430 124 W N 0.309 121.592 121.300 -0.028 0.000 1.705 124 W HA 0.271 4.930 4.660 -0.001 0.000 0.634 124 W C 1.992 178.499 176.519 -0.020 0.000 1.570 124 W CA -0.362 56.995 57.345 0.021 0.000 1.631 124 W CB -0.200 29.217 29.460 -0.071 0.000 3.266 124 W HN 0.331 nan 8.180 nan 0.000 0.778 125 R N -0.801 119.799 120.500 0.167 0.000 2.090 125 R HA -0.098 4.241 4.340 -0.001 0.000 0.228 125 R C 1.761 177.912 176.300 -0.248 0.000 1.110 125 R CA 1.820 57.845 56.100 -0.124 0.000 0.973 125 R CB -0.423 29.656 30.300 -0.369 0.000 0.869 125 R HN 0.445 nan 8.270 nan 0.000 0.440 126 H N -1.039 118.100 119.070 0.115 0.000 2.800 126 H HA 0.232 4.787 4.556 -0.001 0.000 0.257 126 H C 0.426 175.798 175.328 0.073 0.000 0.967 126 H CA 0.518 56.650 56.048 0.140 0.000 1.192 126 H CB 0.192 30.018 29.762 0.106 0.000 1.441 126 H HN 0.206 nan 8.280 nan 0.000 0.461 127 S N 1.422 117.085 115.700 -0.062 0.000 2.593 127 S HA 0.349 4.819 4.470 -0.001 0.000 0.269 127 S C -0.307 174.063 174.600 -0.384 0.000 1.334 127 S CA -0.377 57.467 58.200 -0.594 0.000 1.015 127 S CB 0.685 63.002 63.200 -1.472 0.000 0.912 127 S HN 0.454 nan 8.310 nan 0.000 0.541 128 Y N -2.782 117.313 120.300 -0.343 0.000 2.841 128 Y HA 0.561 5.111 4.550 -0.001 0.000 0.373 128 Y C -0.922 174.871 175.900 -0.178 0.000 1.170 128 Y CA -0.896 56.976 58.100 -0.381 0.000 1.196 128 Y CB 0.236 38.251 38.460 -0.741 0.000 1.433 128 Y HN 0.938 nan 8.280 nan 0.000 0.479 129 T N 0.178 114.779 114.554 0.079 0.000 2.918 129 T HA 1.027 5.376 4.350 -0.001 0.000 0.286 129 T C -0.428 174.355 174.700 0.138 0.000 1.026 129 T CA -0.017 62.167 62.100 0.140 0.000 1.031 129 T CB 1.723 70.635 68.868 0.074 0.000 1.046 129 T HN 1.895 nan 8.240 nan 0.000 0.479 130 A N 1.191 124.108 122.820 0.160 0.000 2.599 130 A HA 0.795 5.114 4.320 -0.001 0.000 0.290 130 A C -0.500 176.983 177.584 -0.168 0.000 1.101 130 A CA -0.925 51.069 52.037 -0.071 0.000 0.674 130 A CB 1.432 20.332 19.000 -0.166 0.000 1.277 130 A HN 0.824 nan 8.150 nan 0.000 0.419 131 S N -0.558 114.784 115.700 -0.598 0.000 2.549 131 S HA 0.780 5.249 4.470 -0.001 0.000 0.297 131 S C -1.647 172.472 174.600 -0.801 0.000 1.115 131 S CA -0.080 57.724 58.200 -0.659 0.000 1.059 131 S CB 0.471 63.054 63.200 -1.029 0.000 1.046 131 S HN 0.415 nan 8.310 nan 0.000 0.506 132 Y N 0.868 121.019 120.300 -0.249 0.000 2.462 132 Y HA 0.494 5.043 4.550 -0.001 0.000 0.346 132 Y C -0.226 175.747 175.900 0.121 0.000 0.976 132 Y CA -1.200 56.887 58.100 -0.022 0.000 1.044 132 Y CB 1.400 39.773 38.460 -0.145 0.000 1.230 132 Y HN 0.460 nan 8.280 nan 0.000 0.455 133 D N 2.556 123.200 120.400 0.406 0.000 2.342 133 D HA 0.530 5.169 4.640 -0.001 0.000 0.243 133 D C -0.747 175.732 176.300 0.297 0.000 1.019 133 D CA -0.331 53.866 54.000 0.328 0.000 0.864 133 D CB 2.474 43.491 40.800 0.361 0.000 1.315 133 D HN 0.404 nan 8.370 nan 0.000 0.468 134 I N 2.101 122.799 120.570 0.214 0.000 2.354 134 I HA 0.194 4.364 4.170 -0.001 0.000 0.286 134 I C -0.782 175.521 176.117 0.310 0.000 1.007 134 I CA -0.958 60.475 61.300 0.221 0.000 1.167 134 I CB 0.932 38.990 38.000 0.098 0.000 1.320 134 I HN 0.226 nan 8.210 nan 0.000 0.458 135 Y N 5.999 126.446 120.300 0.244 0.000 2.327 135 Y HA 0.211 4.761 4.550 -0.001 0.000 0.336 135 Y C 0.402 176.451 175.900 0.248 0.000 1.035 135 Y CA -0.384 57.869 58.100 0.257 0.000 1.165 135 Y CB 0.818 39.510 38.460 0.386 0.000 1.181 135 Y HN 0.496 nan 8.280 nan 0.000 0.494 136 D N 6.285 126.581 120.400 -0.173 0.000 2.371 136 D HA 0.024 4.664 4.640 -0.001 0.000 0.256 136 D C 0.644 176.809 176.300 -0.226 0.000 1.193 136 D CA 0.460 54.389 54.000 -0.117 0.000 0.881 136 D CB 0.977 41.682 40.800 -0.157 0.000 1.143 136 D HN 0.856 nan 8.370 nan 0.000 0.473 137 L N 3.551 124.674 121.223 -0.168 0.000 2.492 137 L HA -0.022 4.317 4.340 -0.001 0.000 0.223 137 L C 1.873 178.633 176.870 -0.183 0.000 1.132 137 L CA 0.122 54.914 54.840 -0.081 0.000 0.850 137 L CB -0.147 41.834 42.059 -0.130 0.000 0.966 137 L HN 0.339 nan 8.230 nan 0.000 0.454 138 N N 1.358 119.888 118.700 -0.284 0.000 2.324 138 N HA -0.077 4.663 4.740 -0.001 0.000 0.192 138 N C 1.435 176.844 175.510 -0.167 0.000 1.046 138 N CA 0.915 53.827 53.050 -0.230 0.000 0.898 138 N CB -0.074 38.246 38.487 -0.278 0.000 1.079 138 N HN 0.324 nan 8.380 nan 0.000 0.456 139 K N 1.630 121.923 120.400 -0.178 0.000 2.546 139 K HA 0.189 4.508 4.320 -0.001 0.000 0.198 139 K C -0.310 176.192 176.600 -0.164 0.000 1.028 139 K CA -0.131 56.074 56.287 -0.137 0.000 1.150 139 K CB -0.089 32.342 32.500 -0.114 0.000 0.876 139 K HN -0.017 nan 8.250 nan 0.000 0.508 140 R N 1.628 122.018 120.500 -0.183 0.000 2.747 140 R HA -0.224 4.115 4.340 -0.001 0.000 0.236 140 R C -0.945 175.119 176.300 -0.393 0.000 0.819 140 R CA 0.806 56.797 56.100 -0.182 0.000 0.575 140 R CB -1.401 28.937 30.300 0.064 0.000 1.219 140 R HN 0.606 nan 8.270 nan 0.000 0.518 141 Q N 0.164 119.487 119.800 -0.795 0.000 2.353 141 Q HA 0.317 4.657 4.340 -0.001 0.000 0.275 141 Q C -0.944 174.680 176.000 -0.626 0.000 1.029 141 Q CA -0.973 54.493 55.803 -0.561 0.000 0.848 141 Q CB 2.472 31.074 28.738 -0.226 0.000 1.390 141 Q HN 0.332 nan 8.270 nan 0.000 0.401 142 L N 3.539 124.607 121.223 -0.258 0.000 2.456 142 L HA 0.192 4.531 4.340 -0.001 0.000 0.277 142 L C -0.552 176.314 176.870 -0.007 0.000 1.124 142 L CA -0.452 54.384 54.840 -0.006 0.000 0.880 142 L CB 0.203 42.351 42.059 0.147 0.000 1.192 142 L HN 0.608 nan 8.230 nan 0.000 0.463 143 I N 4.645 125.228 120.570 0.022 0.000 2.821 143 I HA -0.139 4.031 4.170 -0.001 0.000 0.294 143 I C 1.541 177.670 176.117 0.019 0.000 1.210 143 I CA 1.067 62.379 61.300 0.020 0.000 1.430 143 I CB 1.155 39.172 38.000 0.028 0.000 1.356 143 I HN 0.747 nan 8.210 nan 0.000 0.563 144 T N 1.928 116.484 114.554 0.003 0.000 2.969 144 T HA 0.175 4.524 4.350 -0.001 0.000 0.250 144 T C 0.451 175.145 174.700 -0.011 0.000 1.021 144 T CA -0.423 61.678 62.100 0.001 0.000 1.003 144 T CB 0.016 68.883 68.868 -0.001 0.000 1.040 144 T HN 0.542 nan 8.240 nan 0.000 0.492 145 E N 1.918 122.109 120.200 -0.014 0.000 2.283 145 E HA 0.241 4.591 4.350 -0.001 0.000 0.267 145 E C -0.339 176.241 176.600 -0.033 0.000 1.045 145 E CA -0.520 55.869 56.400 -0.020 0.000 0.884 145 E CB 0.602 30.294 29.700 -0.012 0.000 1.106 145 E HN 0.070 nan 8.360 nan 0.000 0.408 146 E N 0.264 120.439 120.200 -0.041 0.000 2.494 146 E HA -0.224 4.125 4.350 -0.001 0.000 0.249 146 E C 0.411 176.956 176.600 -0.091 0.000 1.184 146 E CA 0.961 57.327 56.400 -0.057 0.000 0.727 146 E CB -1.318 28.359 29.700 -0.038 0.000 1.281 146 E HN 0.724 nan 8.360 nan 0.000 0.405 147 R N 0.228 120.672 120.500 -0.093 0.000 2.944 147 R HA 0.165 4.504 4.340 -0.001 0.000 0.279 147 R C 0.637 176.808 176.300 -0.214 0.000 1.048 147 R CA 0.048 56.078 56.100 -0.116 0.000 1.196 147 R CB 0.136 30.393 30.300 -0.072 0.000 1.134 147 R HN 0.146 nan 8.270 nan 0.000 0.525 148 I N 1.746 122.160 120.570 -0.261 0.000 2.331 148 I HA 0.208 4.377 4.170 -0.001 0.000 0.292 148 I C -1.762 174.107 176.117 -0.413 0.000 0.998 148 I CA -2.426 58.593 61.300 -0.468 0.000 1.267 148 I CB 1.394 39.063 38.000 -0.552 0.000 1.386 148 I HN 0.450 nan 8.210 nan 0.000 0.476 149 P HA -0.073 nan 4.420 nan 0.000 0.266 149 P C -0.825 176.299 177.300 -0.294 0.000 1.180 149 P CA 0.180 62.912 63.100 -0.614 0.000 0.765 149 P CB 0.241 31.133 31.700 -1.346 0.000 0.806 150 N N 3.146 121.774 118.700 -0.120 0.000 2.482 150 N HA 0.024 4.763 4.740 -0.001 0.000 0.260 150 N C 0.337 175.939 175.510 0.154 0.000 1.236 150 N CA 0.153 53.212 53.050 0.015 0.000 0.938 150 N CB -0.079 38.440 38.487 0.053 0.000 1.128 150 N HN 0.419 nan 8.380 nan 0.000 0.448 151 N N -0.943 117.838 118.700 0.134 0.000 2.754 151 N HA -0.151 4.589 4.740 -0.001 0.000 0.248 151 N C -0.696 174.994 175.510 0.300 0.000 1.093 151 N CA 0.697 53.862 53.050 0.191 0.000 0.699 151 N CB -1.888 36.717 38.487 0.197 0.000 1.016 151 N HN 0.489 nan 8.380 nan 0.000 0.552 152 T N 0.635 115.340 114.554 0.252 0.000 2.926 152 T HA 0.107 4.456 4.350 -0.001 0.000 0.307 152 T C 1.741 176.587 174.700 0.244 0.000 1.059 152 T CA 0.147 62.400 62.100 0.254 0.000 1.122 152 T CB 1.091 69.947 68.868 -0.019 0.000 0.972 152 T HN 0.193 nan 8.240 nan 0.000 0.545 153 Q N 0.911 120.856 119.800 0.240 0.000 2.339 153 Q HA 0.189 4.528 4.340 -0.001 0.000 0.205 153 Q C 0.040 176.200 176.000 0.267 0.000 0.925 153 Q CA 0.264 56.225 55.803 0.264 0.000 0.898 153 Q CB 0.861 29.735 28.738 0.227 0.000 1.013 153 Q HN 0.676 nan 8.270 nan 0.000 0.504 154 W N -0.228 121.032 121.300 -0.067 0.000 3.298 154 W HA 0.530 5.189 4.660 -0.001 0.000 0.302 154 W C -2.378 174.039 176.519 -0.170 0.000 1.255 154 W CA -0.674 56.588 57.345 -0.138 0.000 1.196 154 W CB 0.995 30.320 29.460 -0.225 0.000 1.364 154 W HN -0.101 nan 8.180 nan 0.000 0.566 155 I N 3.705 123.497 120.570 -1.297 0.000 2.842 155 I HA 0.580 4.749 4.170 -0.001 0.000 0.297 155 I C -1.703 173.895 176.117 -0.865 0.000 1.380 155 I CA -0.055 60.711 61.300 -0.889 0.000 1.018 155 I CB 2.544 39.934 38.000 -1.016 0.000 1.311 155 I HN 0.378 nan 8.210 nan 0.000 0.439 156 T N 4.559 118.871 114.554 -0.403 0.000 3.047 156 T HA 0.408 4.758 4.350 -0.001 0.000 0.340 156 T C -1.599 173.125 174.700 0.040 0.000 1.421 156 T CA -0.302 61.711 62.100 -0.145 0.000 1.090 156 T CB 0.584 69.564 68.868 0.186 0.000 1.292 156 T HN 0.539 nan 8.240 nan 0.000 0.480 157 W N 2.785 124.132 121.300 0.078 0.000 2.049 157 W HA 0.495 5.154 4.660 -0.001 0.000 0.356 157 W C 1.228 177.645 176.519 -0.169 0.000 1.323 157 W CA -0.527 56.814 57.345 -0.007 0.000 1.336 157 W CB 0.479 29.926 29.460 -0.021 0.000 1.176 157 W HN 0.780 nan 8.180 nan 0.000 0.623 158 S N 0.586 116.117 115.700 -0.282 0.000 2.624 158 S HA 0.160 4.629 4.470 -0.001 0.000 0.263 158 S C -1.923 172.463 174.600 -0.356 0.000 1.287 158 S CA -1.011 56.546 58.200 -1.071 0.000 0.990 158 S CB 0.578 63.036 63.200 -1.236 0.000 0.950 158 S HN 0.246 nan 8.310 nan 0.000 0.561 159 P HA 0.022 nan 4.420 nan 0.000 0.222 159 P C 0.304 177.563 177.300 -0.068 0.000 1.147 159 P CA 0.762 63.830 63.100 -0.053 0.000 0.790 159 P CB -0.139 31.554 31.700 -0.011 0.000 0.780 160 V N -7.279 112.545 119.914 -0.151 0.000 3.156 160 V HA 0.874 4.994 4.120 -0.001 0.000 0.310 160 V C 0.634 176.636 176.094 -0.153 0.000 1.234 160 V CA -0.515 61.717 62.300 -0.114 0.000 1.065 160 V CB 0.827 32.593 31.823 -0.095 0.000 1.088 160 V HN 0.326 nan 8.190 nan 0.000 0.451 161 G N 0.997 109.736 108.800 -0.102 0.000 2.581 161 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.291 161 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.291 161 G C 0.254 175.126 174.900 -0.048 0.000 1.277 161 G CA 0.885 45.924 45.100 -0.102 0.000 0.959 161 G HN 2.514 nan 8.290 nan 0.000 0.554 162 H N -0.400 118.670 119.070 -0.000 0.000 2.651 162 H HA 0.460 5.015 4.556 -0.001 0.000 0.241 162 H C 0.373 175.849 175.328 0.246 0.000 1.225 162 H CA -0.177 55.931 56.048 0.100 0.000 0.942 162 H CB -0.186 29.701 29.762 0.208 0.000 1.996 162 H HN 0.485 nan 8.280 nan 0.000 0.600 163 K N 1.466 121.855 120.400 -0.020 0.000 2.202 163 K HA 0.479 4.798 4.320 -0.001 0.000 0.264 163 K C -0.314 176.379 176.600 0.154 0.000 1.010 163 K CA -0.351 55.923 56.287 -0.022 0.000 0.940 163 K CB 1.579 33.901 32.500 -0.297 0.000 0.983 163 K HN 0.154 nan 8.250 nan 0.000 0.475 164 L N 0.819 122.163 121.223 0.201 0.000 2.354 164 L HA 0.686 5.026 4.340 -0.001 0.000 0.264 164 L C -1.082 176.000 176.870 0.353 0.000 1.008 164 L CA -0.922 54.012 54.840 0.156 0.000 0.819 164 L CB 2.195 44.181 42.059 -0.122 0.000 1.339 164 L HN 0.732 nan 8.230 nan 0.000 0.420 165 A N 2.083 125.081 122.820 0.297 0.000 2.437 165 A HA 0.727 5.046 4.320 -0.001 0.000 0.293 165 A C -1.700 175.948 177.584 0.107 0.000 1.038 165 A CA -0.385 51.740 52.037 0.148 0.000 0.708 165 A CB 1.176 20.150 19.000 -0.044 0.000 1.251 165 A HN 0.661 nan 8.150 nan 0.000 0.409 166 Y N -0.543 119.711 120.300 -0.076 0.000 2.644 166 Y HA 0.832 5.381 4.550 -0.001 0.000 0.338 166 Y C -1.126 174.790 175.900 0.027 0.000 1.119 166 Y CA -1.630 56.415 58.100 -0.092 0.000 1.060 166 Y CB 1.436 39.765 38.460 -0.219 0.000 1.294 166 Y HN 0.390 nan 8.280 nan 0.000 0.472 167 V N 1.686 121.723 119.914 0.204 0.000 2.407 167 V HA 0.274 4.393 4.120 -0.001 0.000 0.291 167 V C -1.513 174.768 176.094 0.313 0.000 1.018 167 V CA -0.561 61.832 62.300 0.155 0.000 0.842 167 V CB 1.046 32.898 31.823 0.048 0.000 0.996 167 V HN 0.833 nan 8.190 nan 0.000 0.426 168 W N 5.182 126.541 121.300 0.099 0.000 2.839 168 W HA 0.506 5.165 4.660 -0.001 0.000 0.334 168 W C 0.278 176.826 176.519 0.048 0.000 1.064 168 W CA -0.978 56.402 57.345 0.058 0.000 1.236 168 W CB 1.180 30.620 29.460 -0.034 0.000 1.405 168 W HN 0.788 nan 8.180 nan 0.000 0.478 169 N N 5.493 123.897 118.700 -0.493 0.000 2.667 169 N HA -0.349 4.390 4.740 -0.001 0.000 0.263 169 N C 0.118 175.478 175.510 -0.249 0.000 1.038 169 N CA 0.998 53.737 53.050 -0.518 0.000 0.749 169 N CB -1.049 36.899 38.487 -0.899 0.000 0.892 169 N HN 0.819 nan 8.380 nan 0.000 0.546 170 N N -1.659 116.958 118.700 -0.137 0.000 2.653 170 N HA -0.231 4.508 4.740 -0.001 0.000 0.248 170 N C -1.049 174.393 175.510 -0.113 0.000 1.154 170 N CA 1.208 54.194 53.050 -0.107 0.000 0.780 170 N CB -0.292 38.073 38.487 -0.204 0.000 1.155 170 N HN 0.551 nan 8.380 nan 0.000 0.570 171 D N 0.129 120.478 120.400 -0.086 0.000 2.350 171 D HA 0.483 5.122 4.640 -0.001 0.000 0.238 171 D C 0.183 176.352 176.300 -0.218 0.000 0.989 171 D CA -0.409 53.467 54.000 -0.207 0.000 0.921 171 D CB 1.624 42.247 40.800 -0.295 0.000 1.297 171 D HN -0.016 nan 8.370 nan 0.000 0.490 172 I N 1.375 121.635 120.570 -0.517 0.000 2.392 172 I HA 0.276 4.445 4.170 -0.001 0.000 0.295 172 I C -0.873 174.785 176.117 -0.766 0.000 0.985 172 I CA -0.596 60.390 61.300 -0.524 0.000 1.221 172 I CB 0.737 38.354 38.000 -0.638 0.000 1.366 172 I HN 0.158 nan 8.210 nan 0.000 0.467 173 Y N 4.170 124.063 120.300 -0.677 0.000 2.512 173 Y HA 0.650 5.200 4.550 -0.001 0.000 0.348 173 Y C -0.295 175.291 175.900 -0.522 0.000 0.990 173 Y CA -0.981 56.690 58.100 -0.716 0.000 1.033 173 Y CB 2.080 39.828 38.460 -1.187 0.000 1.259 173 Y HN 0.124 nan 8.280 nan 0.000 0.461 174 V N 2.600 122.435 119.914 -0.131 0.000 2.735 174 V HA 0.528 4.647 4.120 -0.001 0.000 0.310 174 V C -0.916 175.236 176.094 0.096 0.000 1.061 174 V CA -1.453 60.858 62.300 0.019 0.000 0.913 174 V CB 2.139 33.982 31.823 0.034 0.000 1.005 174 V HN 0.628 nan 8.190 nan 0.000 0.428 175 K N 2.785 123.275 120.400 0.151 0.000 2.463 175 K HA 0.461 4.780 4.320 -0.001 0.000 0.255 175 K C 0.297 176.960 176.600 0.105 0.000 0.942 175 K CA -0.353 56.001 56.287 0.112 0.000 0.814 175 K CB 1.798 34.351 32.500 0.087 0.000 1.122 175 K HN 0.632 nan 8.250 nan 0.000 0.425 176 N N 1.341 120.087 118.700 0.078 0.000 2.416 176 N HA -0.049 4.690 4.740 -0.001 0.000 0.177 176 N C -0.505 175.037 175.510 0.054 0.000 1.036 176 N CA 0.593 53.670 53.050 0.044 0.000 0.901 176 N CB 0.432 38.940 38.487 0.035 0.000 0.976 176 N HN 0.426 nan 8.380 nan 0.000 0.444 177 E N -0.650 119.592 120.200 0.071 0.000 2.308 177 E HA 0.174 4.524 4.350 -0.001 0.000 0.275 177 E C -2.180 174.400 176.600 -0.033 0.000 0.890 177 E CA -1.773 54.674 56.400 0.078 0.000 0.754 177 E CB 2.058 31.816 29.700 0.096 0.000 1.207 177 E HN -0.170 nan 8.360 nan 0.000 0.426 178 P HA -0.111 nan 4.420 nan 0.000 0.225 178 P C 0.664 177.892 177.300 -0.121 0.000 1.148 178 P CA 1.081 64.040 63.100 -0.235 0.000 0.779 178 P CB 0.272 31.656 31.700 -0.526 0.000 0.780 179 N N -1.516 117.144 118.700 -0.065 0.000 2.238 179 N HA 0.040 4.779 4.740 -0.001 0.000 0.222 179 N C -0.192 175.317 175.510 -0.001 0.000 1.133 179 N CA 0.178 53.216 53.050 -0.019 0.000 0.854 179 N CB 0.003 38.497 38.487 0.011 0.000 1.041 179 N HN 0.062 nan 8.380 nan 0.000 0.510 180 L N 0.641 121.865 121.223 0.001 0.000 2.330 180 L HA 0.424 4.764 4.340 -0.001 0.000 0.271 180 L C 0.028 176.908 176.870 0.017 0.000 1.013 180 L CA -0.593 54.258 54.840 0.018 0.000 0.816 180 L CB 1.935 44.015 42.059 0.034 0.000 1.287 180 L HN -0.027 nan 8.230 nan 0.000 0.435 181 S N 0.875 116.590 115.700 0.025 0.000 2.510 181 S HA 0.157 4.626 4.470 -0.001 0.000 0.279 181 S C 0.356 174.989 174.600 0.054 0.000 1.284 181 S CA -0.539 57.680 58.200 0.031 0.000 1.059 181 S CB 0.589 63.810 63.200 0.034 0.000 0.901 181 S HN 0.649 nan 8.310 nan 0.000 0.491 182 S N 3.003 118.749 115.700 0.076 0.000 2.573 182 S HA 0.151 4.620 4.470 -0.001 0.000 0.277 182 S C -0.216 174.440 174.600 0.093 0.000 1.346 182 S CA -0.675 57.589 58.200 0.108 0.000 1.034 182 S CB 0.328 63.639 63.200 0.184 0.000 0.879 182 S HN 0.674 nan 8.310 nan 0.000 0.528 183 Q N 1.088 120.915 119.800 0.044 0.000 2.314 183 Q HA 0.308 4.647 4.340 -0.001 0.000 0.259 183 Q C -0.240 175.674 176.000 -0.144 0.000 0.951 183 Q CA -0.285 55.517 55.803 -0.001 0.000 0.909 183 Q CB 0.904 29.644 28.738 0.003 0.000 1.236 183 Q HN 0.644 nan 8.270 nan 0.000 0.444 184 R N 4.282 124.640 120.500 -0.238 0.000 2.489 184 R HA 0.066 4.406 4.340 -0.001 0.000 0.287 184 R C 0.167 176.128 176.300 -0.565 0.000 1.053 184 R CA 0.075 55.725 56.100 -0.751 0.000 1.036 184 R CB 0.471 30.184 30.300 -0.977 0.000 0.966 184 R HN 0.740 nan 8.270 nan 0.000 0.432 185 I N 1.918 122.058 120.570 -0.717 0.000 3.708 185 I HA 0.002 4.171 4.170 -0.001 0.000 0.302 185 I C 0.839 176.674 176.117 -0.470 0.000 1.255 185 I CA 0.784 61.803 61.300 -0.469 0.000 1.362 185 I CB -0.282 37.432 38.000 -0.477 0.000 1.100 185 I HN 0.572 nan 8.210 nan 0.000 0.434 186 T N -4.195 109.929 114.554 -0.717 0.000 2.909 186 T HA 0.411 4.761 4.350 -0.001 0.000 0.299 186 T C -0.657 173.582 174.700 -0.769 0.000 1.073 186 T CA -0.522 61.258 62.100 -0.533 0.000 0.999 186 T CB 1.714 70.314 68.868 -0.447 0.000 1.098 186 T HN 0.117 nan 8.240 nan 0.000 0.477 187 W N 0.261 121.448 121.300 -0.189 0.000 2.714 187 W HA 0.215 4.875 4.660 -0.000 0.000 0.353 187 W C 2.015 178.473 176.519 -0.103 0.000 0.999 187 W CA 0.002 57.268 57.345 -0.132 0.000 1.629 187 W CB 0.245 29.642 29.460 -0.104 0.000 1.106 187 W HN 0.903 nan 8.180 nan 0.000 0.545 188 T N -2.295 112.280 114.554 0.035 0.000 3.129 188 T HA 0.237 4.587 4.350 -0.001 0.000 0.251 188 T C 1.324 175.998 174.700 -0.043 0.000 1.117 188 T CA 0.263 62.371 62.100 0.013 0.000 1.034 188 T CB -0.358 68.521 68.868 0.018 0.000 0.968 188 T HN 0.016 nan 8.240 nan 0.000 0.526 189 G N 1.154 109.894 108.800 -0.100 0.000 2.368 189 G HA2 0.327 4.286 3.960 -0.001 0.000 0.233 189 G HA3 0.327 4.286 3.960 -0.001 0.000 0.233 189 G C -0.510 174.309 174.900 -0.134 0.000 1.267 189 G CA -0.343 44.674 45.100 -0.138 0.000 0.873 189 G HN 0.562 nan 8.290 nan 0.000 0.539 190 K N 1.625 121.913 120.400 -0.186 0.000 2.560 190 K HA 0.052 4.371 4.320 -0.001 0.000 0.276 190 K C -0.361 176.105 176.600 -0.223 0.000 1.025 190 K CA -0.577 55.612 56.287 -0.164 0.000 0.974 190 K CB 1.185 33.627 32.500 -0.098 0.000 1.347 190 K HN 0.700 nan 8.250 nan 0.000 0.447 191 E N 2.819 122.910 120.200 -0.183 0.000 2.653 191 E HA -0.179 4.170 4.350 -0.001 0.000 0.264 191 E C -0.218 176.317 176.600 -0.109 0.000 0.949 191 E CA 1.258 57.567 56.400 -0.152 0.000 0.953 191 E CB 0.067 29.713 29.700 -0.091 0.000 0.925 191 E HN 0.714 nan 8.360 nan 0.000 0.475 192 N N 1.447 120.116 118.700 -0.052 0.000 2.678 192 N HA -0.281 4.458 4.740 -0.001 0.000 0.249 192 N C -0.017 175.556 175.510 0.104 0.000 1.119 192 N CA 0.424 53.544 53.050 0.115 0.000 0.718 192 N CB -0.304 38.250 38.487 0.112 0.000 1.060 192 N HN 0.239 nan 8.380 nan 0.000 0.552 193 V N -1.401 118.487 119.914 -0.044 0.000 3.570 193 V HA 0.249 4.369 4.120 -0.001 0.000 0.193 193 V C 0.090 176.225 176.094 0.067 0.000 1.386 193 V CA 0.330 62.661 62.300 0.051 0.000 1.285 193 V CB 0.744 32.571 31.823 0.006 0.000 1.237 193 V HN 0.082 nan 8.190 nan 0.000 0.553 194 I N 0.789 121.277 120.570 -0.137 0.000 2.465 194 I HA 0.499 4.668 4.170 -0.001 0.000 0.291 194 I C -1.560 174.424 176.117 -0.222 0.000 1.014 194 I CA -0.436 60.850 61.300 -0.022 0.000 1.093 194 I CB 1.539 39.536 38.000 -0.006 0.000 1.267 194 I HN 0.244 nan 8.210 nan 0.000 0.431 195 Y N 4.225 124.622 120.300 0.162 0.000 2.326 195 Y HA 0.403 4.952 4.550 -0.001 0.000 0.329 195 Y C 0.156 176.143 175.900 0.144 0.000 0.973 195 Y CA -0.831 57.374 58.100 0.175 0.000 1.162 195 Y CB 1.323 39.963 38.460 0.300 0.000 1.147 195 Y HN 0.399 nan 8.280 nan 0.000 0.456 196 N N 2.201 120.991 118.700 0.150 0.000 2.446 196 N HA 0.378 5.117 4.740 -0.001 0.000 0.265 196 N C 0.706 176.197 175.510 -0.032 0.000 0.975 196 N CA 0.337 53.420 53.050 0.055 0.000 0.928 196 N CB 1.911 40.314 38.487 -0.140 0.000 1.160 196 N HN 0.994 nan 8.380 nan 0.000 0.495 197 G N 0.548 109.375 108.800 0.044 0.000 2.179 197 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.260 197 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.260 197 G C -0.043 174.762 174.900 -0.158 0.000 0.977 197 G CA 0.674 45.727 45.100 -0.079 0.000 0.641 197 G HN 0.769 nan 8.290 nan 0.000 0.533 198 V N -2.426 117.457 119.914 -0.051 0.000 3.012 198 V HA 0.910 5.029 4.120 -0.001 0.000 0.307 198 V C 0.186 176.323 176.094 0.071 0.000 1.166 198 V CA 0.069 62.214 62.300 -0.258 0.000 0.974 198 V CB 1.556 32.958 31.823 -0.703 0.000 1.040 198 V HN 1.348 nan 8.190 nan 0.000 0.428 199 T N 0.425 114.973 114.554 -0.009 0.000 2.913 199 T HA 0.428 4.778 4.350 -0.001 0.000 0.297 199 T C 0.058 174.561 174.700 -0.328 0.000 1.029 199 T CA 0.029 61.992 62.100 -0.229 0.000 1.104 199 T CB 0.947 69.691 68.868 -0.206 0.000 0.964 199 T HN 1.174 nan 8.240 nan 0.000 0.532 200 D N 1.325 121.238 120.400 -0.813 0.000 2.414 200 D HA -0.040 4.600 4.640 -0.001 0.000 0.259 200 D C 0.977 177.119 176.300 -0.264 0.000 1.269 200 D CA -0.934 52.591 54.000 -0.793 0.000 1.028 200 D CB 0.214 40.554 40.800 -0.767 0.000 1.093 200 D HN 0.748 nan 8.370 nan 0.000 0.545 201 W N 0.335 121.496 121.300 -0.232 0.000 2.335 201 W HA -0.197 4.463 4.660 -0.001 0.000 0.311 201 W C 2.093 178.443 176.519 -0.282 0.000 1.213 201 W CA 1.907 59.112 57.345 -0.233 0.000 1.274 201 W CB -0.351 28.908 29.460 -0.336 0.000 1.148 201 W HN 0.200 nan 8.180 nan 0.000 0.498 202 V N -0.285 119.636 119.914 0.010 0.000 2.871 202 V HA -0.216 3.904 4.120 -0.001 0.000 0.256 202 V C 1.624 177.452 176.094 -0.443 0.000 1.082 202 V CA 1.530 63.721 62.300 -0.182 0.000 1.105 202 V CB -0.615 31.144 31.823 -0.107 0.000 0.713 202 V HN 0.248 nan 8.190 nan 0.000 0.473 203 Y N 0.587 120.559 120.300 -0.547 0.000 2.243 203 Y HA -0.113 4.436 4.550 -0.001 0.000 0.293 203 Y C 2.527 178.078 175.900 -0.582 0.000 1.124 203 Y CA 1.976 59.644 58.100 -0.720 0.000 1.159 203 Y CB -0.061 37.708 38.460 -1.151 0.000 1.008 203 Y HN 0.333 nan 8.280 nan 0.000 0.527 204 E N 0.349 120.362 120.200 -0.311 0.000 2.038 204 E HA -0.325 4.024 4.350 -0.001 0.000 0.195 204 E C 2.023 178.509 176.600 -0.191 0.000 1.000 204 E CA 1.780 58.079 56.400 -0.169 0.000 0.803 204 E CB -0.020 29.612 29.700 -0.114 0.000 0.750 204 E HN 0.400 nan 8.360 nan 0.000 0.448 205 E N 0.194 120.110 120.200 -0.473 0.000 2.046 205 E HA -0.142 4.207 4.350 -0.001 0.000 0.190 205 E C 1.337 177.797 176.600 -0.233 0.000 0.982 205 E CA 1.522 57.651 56.400 -0.452 0.000 0.800 205 E CB 0.192 29.265 29.700 -1.045 0.000 0.756 205 E HN 0.236 nan 8.360 nan 0.000 0.449 206 E N -0.762 119.266 120.200 -0.287 0.000 2.526 206 E HA 0.126 4.476 4.350 -0.001 0.000 0.208 206 E C 1.058 177.517 176.600 -0.235 0.000 0.997 206 E CA 0.124 56.421 56.400 -0.172 0.000 0.961 206 E CB 1.448 31.052 29.700 -0.160 0.000 1.030 206 E HN 0.181 nan 8.360 nan 0.000 0.483 207 V N -0.621 119.107 119.914 -0.311 0.000 3.054 207 V HA 0.059 4.178 4.120 -0.001 0.000 0.227 207 V C 1.007 177.141 176.094 0.068 0.000 1.252 207 V CA 0.412 62.540 62.300 -0.287 0.000 1.279 207 V CB -0.033 31.361 31.823 -0.713 0.000 1.118 207 V HN 0.034 nan 8.190 nan 0.000 0.504 208 F N 0.806 120.755 119.950 -0.003 0.000 2.695 208 F HA 0.377 4.903 4.527 -0.001 0.000 0.303 208 F C 1.510 177.262 175.800 -0.080 0.000 1.091 208 F CA -0.497 57.513 58.000 0.017 0.000 1.300 208 F CB -0.941 38.099 39.000 0.067 0.000 1.071 208 F HN 0.090 nan 8.300 nan 0.000 0.578 209 S N 0.716 116.440 115.700 0.040 0.000 3.486 209 S HA 0.030 4.500 4.470 -0.001 0.000 0.371 209 S C 0.280 174.510 174.600 -0.616 0.000 1.001 209 S CA 0.592 58.702 58.200 -0.151 0.000 1.164 209 S CB -1.598 61.568 63.200 -0.058 0.000 0.911 209 S HN 0.709 nan 8.310 nan 0.000 0.472 210 A N -0.667 121.977 122.820 -0.293 0.000 2.597 210 A HA 0.665 4.984 4.320 -0.001 0.000 0.292 210 A C -0.312 177.295 177.584 0.039 0.000 1.057 210 A CA -0.461 51.436 52.037 -0.233 0.000 0.674 210 A CB 0.166 19.060 19.000 -0.177 0.000 1.278 210 A HN 0.310 nan 8.150 nan 0.000 0.416 211 Y N 1.446 121.656 120.300 -0.150 0.000 2.347 211 Y HA 0.210 4.759 4.550 -0.001 0.000 0.294 211 Y C 1.646 177.356 175.900 -0.316 0.000 1.117 211 Y CA 1.127 59.137 58.100 -0.151 0.000 1.184 211 Y CB -0.108 38.283 38.460 -0.114 0.000 1.047 211 Y HN 0.780 nan 8.280 nan 0.000 0.546 212 S N 0.701 115.977 115.700 -0.707 0.000 2.552 212 S HA 0.316 4.786 4.470 -0.001 0.000 0.289 212 S C 0.446 174.589 174.600 -0.762 0.000 1.304 212 S CA 0.340 57.749 58.200 -1.318 0.000 1.063 212 S CB 0.344 62.282 63.200 -2.102 0.000 0.848 212 S HN 0.490 nan 8.310 nan 0.000 0.499 213 A N 4.256 126.627 122.820 -0.748 0.000 2.585 213 A HA 0.501 4.820 4.320 -0.001 0.000 0.281 213 A C -0.763 176.237 177.584 -0.974 0.000 0.945 213 A CA -0.582 51.102 52.037 -0.589 0.000 1.031 213 A CB -0.219 18.845 19.000 0.106 0.000 1.221 213 A HN 0.840 nan 8.150 nan 0.000 0.496 214 L N -4.444 116.043 121.223 -1.228 0.000 2.409 214 L HA 0.889 5.228 4.340 -0.001 0.000 0.262 214 L C -1.166 175.205 176.870 -0.832 0.000 0.992 214 L CA -1.439 52.936 54.840 -0.776 0.000 0.817 214 L CB 0.870 42.742 42.059 -0.311 0.000 1.350 214 L HN 0.215 nan 8.230 nan 0.000 0.411 215 W N 0.953 122.309 121.300 0.093 0.000 2.830 215 W HA 0.372 5.031 4.660 -0.001 0.000 0.335 215 W C -1.594 175.156 176.519 0.386 0.000 1.043 215 W CA -0.687 56.816 57.345 0.264 0.000 1.239 215 W CB 1.662 31.301 29.460 0.299 0.000 1.378 215 W HN 0.579 nan 8.180 nan 0.000 0.456 216 W N 2.179 123.727 121.300 0.414 0.000 2.313 216 W HA 0.312 4.971 4.660 -0.001 0.000 0.328 216 W C 1.112 177.517 176.519 -0.191 0.000 1.197 216 W CA 0.012 57.462 57.345 0.175 0.000 1.235 216 W CB 1.146 30.660 29.460 0.090 0.000 1.158 216 W HN 0.176 nan 8.180 nan 0.000 0.578 217 S N 2.257 117.713 115.700 -0.407 0.000 2.603 217 S HA 0.208 4.677 4.470 -0.001 0.000 0.268 217 S C -1.829 172.512 174.600 -0.432 0.000 1.317 217 S CA -0.999 56.363 58.200 -1.397 0.000 1.012 217 S CB 1.194 63.539 63.200 -1.426 0.000 0.926 217 S HN 0.282 nan 8.310 nan 0.000 0.539 218 P HA -0.159 nan 4.420 nan 0.000 0.220 218 P C 0.771 178.023 177.300 -0.080 0.000 1.155 218 P CA 1.612 64.663 63.100 -0.081 0.000 0.880 218 P CB -0.066 31.626 31.700 -0.014 0.000 0.790 219 N N -2.438 116.198 118.700 -0.106 0.000 2.235 219 N HA 0.177 4.916 4.740 -0.001 0.000 0.209 219 N C 0.743 176.163 175.510 -0.149 0.000 1.122 219 N CA 0.571 53.559 53.050 -0.103 0.000 0.845 219 N CB -0.442 38.002 38.487 -0.073 0.000 1.004 219 N HN 0.006 nan 8.380 nan 0.000 0.499 220 G N -0.610 108.098 108.800 -0.153 0.000 2.203 220 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.263 220 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.263 220 G C 1.052 175.937 174.900 -0.024 0.000 1.012 220 G CA 1.167 46.181 45.100 -0.144 0.000 0.749 220 G HN 0.396 nan 8.290 nan 0.000 0.512 221 T N -0.616 113.854 114.554 -0.140 0.000 2.851 221 T HA 0.258 4.607 4.350 -0.001 0.000 0.262 221 T C 0.771 175.211 174.700 -0.433 0.000 1.043 221 T CA 1.159 63.040 62.100 -0.366 0.000 1.140 221 T CB 0.027 68.516 68.868 -0.631 0.000 0.872 221 T HN 0.316 nan 8.240 nan 0.000 0.446 222 F N 0.340 120.330 119.950 0.066 0.000 2.492 222 F HA 0.661 5.187 4.527 -0.001 0.000 0.327 222 F C -0.393 175.516 175.800 0.181 0.000 1.079 222 F CA -1.738 56.344 58.000 0.137 0.000 0.967 222 F CB 1.436 40.535 39.000 0.165 0.000 1.169 222 F HN -0.160 nan 8.300 nan 0.000 0.472 223 L N 2.770 124.175 121.223 0.304 0.000 2.388 223 L HA 0.792 5.131 4.340 -0.001 0.000 0.267 223 L C -0.682 176.292 176.870 0.174 0.000 0.995 223 L CA -0.534 54.301 54.840 -0.008 0.000 0.864 223 L CB 0.582 42.312 42.059 -0.547 0.000 1.216 223 L HN 0.666 nan 8.230 nan 0.000 0.430 224 A N 4.514 127.529 122.820 0.325 0.000 2.304 224 A HA 0.770 5.089 4.320 -0.001 0.000 0.301 224 A C -1.274 176.446 177.584 0.227 0.000 1.132 224 A CA -0.195 51.899 52.037 0.094 0.000 0.819 224 A CB 0.512 19.534 19.000 0.037 0.000 1.094 224 A HN 0.887 nan 8.150 nan 0.000 0.492 225 Y N -1.637 118.556 120.300 -0.179 0.000 2.638 225 Y HA 0.759 5.309 4.550 -0.001 0.000 0.335 225 Y C -0.424 175.479 175.900 0.006 0.000 1.155 225 Y CA -0.993 57.126 58.100 0.032 0.000 1.046 225 Y CB 0.907 39.316 38.460 -0.085 0.000 1.303 225 Y HN 0.936 nan 8.280 nan 0.000 0.460 226 A N 2.099 125.064 122.820 0.242 0.000 2.340 226 A HA 0.662 4.981 4.320 -0.001 0.000 0.331 226 A C -1.232 176.287 177.584 -0.108 0.000 1.140 226 A CA -0.848 51.172 52.037 -0.027 0.000 0.801 226 A CB 1.733 20.723 19.000 -0.016 0.000 1.234 226 A HN 0.823 nan 8.150 nan 0.000 0.469 227 Q N 1.160 120.825 119.800 -0.224 0.000 2.337 227 Q HA 0.642 4.981 4.340 -0.001 0.000 0.266 227 Q C -1.992 173.779 176.000 -0.382 0.000 1.023 227 Q CA -0.407 55.353 55.803 -0.072 0.000 0.829 227 Q CB 1.094 29.983 28.738 0.252 0.000 1.306 227 Q HN 0.594 nan 8.270 nan 0.000 0.449 228 F N 2.116 122.167 119.950 0.168 0.000 2.480 228 F HA 0.408 4.934 4.527 -0.001 0.000 0.329 228 F C 0.351 176.284 175.800 0.223 0.000 1.091 228 F CA -0.915 57.146 58.000 0.103 0.000 0.972 228 F CB 1.549 40.528 39.000 -0.034 0.000 1.150 228 F HN 0.444 nan 8.300 nan 0.000 0.467 229 N N 1.859 120.757 118.700 0.332 0.000 2.479 229 N HA 0.200 4.939 4.740 -0.001 0.000 0.261 229 N C -0.891 174.776 175.510 0.261 0.000 0.979 229 N CA -0.230 52.978 53.050 0.263 0.000 0.930 229 N CB 1.112 39.700 38.487 0.169 0.000 1.172 229 N HN 0.591 nan 8.380 nan 0.000 0.499 230 D N 1.425 122.003 120.400 0.297 0.000 2.388 230 D HA 0.126 4.766 4.640 -0.001 0.000 0.221 230 D C 1.282 177.686 176.300 0.172 0.000 1.133 230 D CA 0.154 54.304 54.000 0.250 0.000 0.831 230 D CB 0.612 41.617 40.800 0.341 0.000 0.962 230 D HN 0.460 nan 8.370 nan 0.000 0.502 231 T N 0.550 115.188 114.554 0.140 0.000 2.592 231 T HA -0.220 4.130 4.350 -0.001 0.000 0.267 231 T C 1.278 176.025 174.700 0.078 0.000 1.060 231 T CA 1.355 63.512 62.100 0.095 0.000 1.167 231 T CB -0.090 68.824 68.868 0.076 0.000 0.863 231 T HN 0.327 nan 8.240 nan 0.000 0.431 232 E N 0.612 120.857 120.200 0.075 0.000 2.437 232 E HA 0.145 4.494 4.350 -0.001 0.000 0.189 232 E C -0.415 176.221 176.600 0.060 0.000 1.054 232 E CA -0.237 56.198 56.400 0.057 0.000 0.874 232 E CB 0.328 30.056 29.700 0.046 0.000 1.011 232 E HN 0.239 nan 8.360 nan 0.000 0.474 233 V N 3.333 123.294 119.914 0.079 0.000 2.432 233 V HA 0.125 4.244 4.120 -0.001 0.000 0.271 233 V C -1.954 174.180 176.094 0.066 0.000 1.046 233 V CA -1.696 60.651 62.300 0.078 0.000 0.945 233 V CB 0.481 32.365 31.823 0.101 0.000 0.992 233 V HN 0.010 nan 8.190 nan 0.000 0.471 234 P HA 0.172 nan 4.420 nan 0.000 0.270 234 P C -0.650 176.673 177.300 0.038 0.000 1.227 234 P CA -0.050 63.074 63.100 0.041 0.000 0.788 234 P CB 0.493 32.217 31.700 0.040 0.000 0.926 235 L N 1.561 122.788 121.223 0.007 0.000 2.329 235 L HA 0.509 4.848 4.340 -0.001 0.000 0.279 235 L C 0.187 177.005 176.870 -0.086 0.000 1.014 235 L CA -0.987 53.840 54.840 -0.022 0.000 0.814 235 L CB 1.361 43.404 42.059 -0.026 0.000 1.257 235 L HN 0.285 nan 8.230 nan 0.000 0.424 236 I N 2.006 122.480 120.570 -0.160 0.000 2.488 236 I HA 0.357 4.526 4.170 -0.001 0.000 0.299 236 I C -0.508 175.475 176.117 -0.224 0.000 0.984 236 I CA 0.316 61.425 61.300 -0.319 0.000 1.250 236 I CB 1.216 38.765 38.000 -0.753 0.000 1.389 236 I HN 0.599 nan 8.210 nan 0.000 0.488 237 E N 6.402 126.492 120.200 -0.184 0.000 2.340 237 E HA 0.570 4.919 4.350 -0.001 0.000 0.273 237 E C -1.881 174.690 176.600 -0.049 0.000 0.891 237 E CA -0.638 55.659 56.400 -0.171 0.000 0.757 237 E CB 2.357 31.970 29.700 -0.145 0.000 1.231 237 E HN 0.553 nan 8.360 nan 0.000 0.439 238 Y N -2.384 117.827 120.300 -0.149 0.000 2.677 238 Y HA 0.498 5.048 4.550 -0.001 0.000 0.334 238 Y C -0.912 174.912 175.900 -0.127 0.000 1.196 238 Y CA -1.284 56.735 58.100 -0.135 0.000 1.059 238 Y CB 0.665 39.051 38.460 -0.123 0.000 1.315 238 Y HN 0.257 nan 8.280 nan 0.000 0.455 239 S N 1.728 117.399 115.700 -0.048 0.000 2.548 239 S HA 0.439 4.909 4.470 -0.001 0.000 0.277 239 S C -1.345 173.079 174.600 -0.293 0.000 1.315 239 S CA -0.312 57.698 58.200 -0.317 0.000 1.050 239 S CB 0.220 63.067 63.200 -0.589 0.000 0.918 239 S HN 0.536 nan 8.310 nan 0.000 0.497 240 F N 3.296 122.970 119.950 -0.460 0.000 2.532 240 F HA 0.385 4.911 4.527 -0.001 0.000 0.365 240 F C -0.071 175.541 175.800 -0.314 0.000 1.112 240 F CA -0.991 56.866 58.000 -0.237 0.000 1.082 240 F CB 0.349 39.301 39.000 -0.080 0.000 1.319 240 F HN 0.646 nan 8.300 nan 0.000 0.457 241 Y N 2.534 122.665 120.300 -0.282 0.000 2.333 241 Y HA -0.057 4.493 4.550 -0.001 0.000 0.290 241 Y C 1.857 177.702 175.900 -0.091 0.000 1.144 241 Y CA 1.322 59.324 58.100 -0.164 0.000 1.228 241 Y CB -0.913 37.430 38.460 -0.194 0.000 0.985 241 Y HN 0.695 nan 8.280 nan 0.000 0.542 242 S N -0.560 115.089 115.700 -0.085 0.000 3.443 242 S HA -0.279 4.190 4.470 -0.001 0.000 0.635 242 S C -0.173 174.484 174.600 0.095 0.000 2.555 242 S CA 0.108 58.396 58.200 0.147 0.000 2.778 242 S CB -1.275 62.092 63.200 0.278 0.000 0.331 242 S HN 0.586 nan 8.310 nan 0.000 1.765 243 D N 1.191 121.665 120.400 0.124 0.000 2.443 243 D HA 0.088 4.727 4.640 -0.001 0.000 0.239 243 D C 1.487 177.827 176.300 0.066 0.000 1.136 243 D CA 0.721 54.772 54.000 0.085 0.000 0.879 243 D CB 0.755 41.608 40.800 0.089 0.000 1.195 243 D HN 0.600 nan 8.370 nan 0.000 0.443 244 E N 1.553 121.780 120.200 0.045 0.000 2.236 244 E HA -0.296 4.053 4.350 -0.001 0.000 0.205 244 E C 1.662 178.283 176.600 0.035 0.000 1.028 244 E CA 1.809 58.228 56.400 0.031 0.000 0.827 244 E CB 0.152 29.863 29.700 0.019 0.000 0.735 244 E HN 0.530 nan 8.360 nan 0.000 0.470 245 S N 0.478 116.204 115.700 0.044 0.000 2.368 245 S HA -0.120 4.349 4.470 -0.001 0.000 0.224 245 S C 1.314 175.947 174.600 0.054 0.000 1.029 245 S CA 0.180 58.406 58.200 0.044 0.000 0.988 245 S CB -0.415 62.814 63.200 0.048 0.000 0.838 245 S HN 0.300 nan 8.310 nan 0.000 0.462 246 L N 2.747 124.012 121.223 0.070 0.000 2.737 246 L HA -0.049 4.290 4.340 -0.001 0.000 0.275 246 L C 1.732 178.649 176.870 0.079 0.000 1.179 246 L CA 0.427 55.320 54.840 0.088 0.000 0.970 246 L CB 0.401 42.522 42.059 0.104 0.000 1.268 246 L HN 0.523 nan 8.230 nan 0.000 0.485 247 Q N 3.908 123.768 119.800 0.099 0.000 2.172 247 Q HA -0.085 4.254 4.340 -0.001 0.000 0.200 247 Q C -0.662 175.313 176.000 -0.043 0.000 0.964 247 Q CA 1.179 57.007 55.803 0.041 0.000 0.855 247 Q CB 0.283 29.076 28.738 0.091 0.000 0.918 247 Q HN 0.586 nan 8.270 nan 0.000 0.444 248 Y N 0.128 120.436 120.300 0.014 0.000 2.376 248 Y HA 0.394 4.944 4.550 -0.001 0.000 0.340 248 Y C -2.101 173.792 175.900 -0.011 0.000 0.965 248 Y CA -2.990 55.110 58.100 0.001 0.000 1.078 248 Y CB 1.407 39.860 38.460 -0.011 0.000 1.193 248 Y HN 0.070 nan 8.280 nan 0.000 0.452 249 P HA 0.083 nan 4.420 nan 0.000 0.269 249 P C -0.855 176.424 177.300 -0.035 0.000 1.215 249 P CA -0.449 62.617 63.100 -0.056 0.000 0.780 249 P CB 0.605 32.173 31.700 -0.220 0.000 0.898 250 K N -0.125 120.241 120.400 -0.057 0.000 2.168 250 K HA 0.672 4.991 4.320 -0.001 0.000 0.239 250 K C -0.960 175.577 176.600 -0.105 0.000 0.999 250 K CA -0.732 55.531 56.287 -0.040 0.000 0.900 250 K CB 0.793 33.296 32.500 0.006 0.000 1.111 250 K HN 0.187 nan 8.250 nan 0.000 0.452 251 T N 1.321 115.804 114.554 -0.119 0.000 2.833 251 T HA 0.245 4.595 4.350 -0.001 0.000 0.297 251 T C -0.416 174.142 174.700 -0.236 0.000 1.015 251 T CA -0.768 61.221 62.100 -0.184 0.000 0.963 251 T CB 1.142 69.919 68.868 -0.152 0.000 0.955 251 T HN 0.385 nan 8.240 nan 0.000 0.449 252 V N 4.642 124.315 119.914 -0.401 0.000 2.715 252 V HA 0.374 4.494 4.120 -0.001 0.000 0.299 252 V C 0.543 176.392 176.094 -0.408 0.000 1.054 252 V CA -0.265 61.764 62.300 -0.451 0.000 1.077 252 V CB 0.515 31.895 31.823 -0.738 0.000 0.972 252 V HN 0.714 nan 8.190 nan 0.000 0.484 253 R N 4.768 125.147 120.500 -0.201 0.000 2.483 253 R HA 0.670 5.009 4.340 -0.001 0.000 0.303 253 R C -1.424 174.865 176.300 -0.018 0.000 0.987 253 R CA -0.516 55.510 56.100 -0.124 0.000 0.881 253 R CB 1.874 32.127 30.300 -0.079 0.000 1.177 253 R HN 0.606 nan 8.270 nan 0.000 0.451 254 I N 3.137 123.687 120.570 -0.033 0.000 2.545 254 I HA 0.356 4.525 4.170 -0.001 0.000 0.292 254 I C -2.358 173.778 176.117 0.031 0.000 1.040 254 I CA -2.715 58.607 61.300 0.037 0.000 1.068 254 I CB 2.721 40.667 38.000 -0.089 0.000 1.251 254 I HN 0.215 nan 8.210 nan 0.000 0.424 255 P HA 0.055 nan 4.420 nan 0.000 0.271 255 P C -1.450 175.908 177.300 0.096 0.000 1.380 255 P CA 0.240 63.409 63.100 0.115 0.000 0.992 255 P CB -0.290 31.520 31.700 0.184 0.000 1.230 256 Y N 6.759 126.985 120.300 -0.122 0.000 2.363 256 Y HA 0.415 4.964 4.550 -0.001 0.000 0.325 256 Y C -2.568 173.264 175.900 -0.113 0.000 0.984 256 Y CA -3.213 54.758 58.100 -0.214 0.000 1.248 256 Y CB 1.629 39.825 38.460 -0.440 0.000 1.116 256 Y HN 0.253 nan 8.280 nan 0.000 0.470 257 P HA 0.195 nan 4.420 nan 0.000 0.286 257 P C -0.984 176.329 177.300 0.021 0.000 1.321 257 P CA -0.159 62.949 63.100 0.013 0.000 0.790 257 P CB 1.260 32.953 31.700 -0.012 0.000 0.897 258 K N 2.117 122.610 120.400 0.155 0.000 2.102 258 K HA 0.479 4.799 4.320 -0.001 0.000 0.244 258 K C 0.543 177.223 176.600 0.133 0.000 1.021 258 K CA -0.772 55.631 56.287 0.194 0.000 0.913 258 K CB 0.589 33.230 32.500 0.235 0.000 1.062 258 K HN 0.440 nan 8.250 nan 0.000 0.485 259 A N 0.790 123.719 122.820 0.181 0.000 2.572 259 A HA 0.217 4.536 4.320 -0.001 0.000 0.256 259 A C 1.232 178.855 177.584 0.065 0.000 1.041 259 A CA 1.171 53.309 52.037 0.168 0.000 0.790 259 A CB -1.414 17.763 19.000 0.295 0.000 0.947 259 A HN 0.922 nan 8.150 nan 0.000 0.518 260 G N 1.234 110.063 108.800 0.048 0.000 2.253 260 G HA2 0.099 4.058 3.960 -0.001 0.000 0.251 260 G HA3 0.099 4.058 3.960 -0.001 0.000 0.251 260 G C 0.789 175.697 174.900 0.013 0.000 0.998 260 G CA 0.712 45.816 45.100 0.006 0.000 0.621 260 G HN 2.242 nan 8.290 nan 0.000 0.524 261 A N 0.073 122.913 122.820 0.033 0.000 2.346 261 A HA 0.593 4.912 4.320 -0.001 0.000 0.255 261 A C 0.550 178.152 177.584 0.030 0.000 1.113 261 A CA 0.855 52.913 52.037 0.034 0.000 0.798 261 A CB 0.162 19.194 19.000 0.052 0.000 1.073 261 A HN 0.773 nan 8.150 nan 0.000 0.502 262 E N 0.854 121.072 120.200 0.030 0.000 2.265 262 E HA 0.112 4.461 4.350 -0.001 0.000 0.272 262 E C -0.313 176.314 176.600 0.045 0.000 1.067 262 E CA 0.111 56.529 56.400 0.030 0.000 0.900 262 E CB -0.020 29.699 29.700 0.031 0.000 1.017 262 E HN 0.537 nan 8.360 nan 0.000 0.431 263 N N 4.840 123.566 118.700 0.044 0.000 2.445 263 N HA 0.311 5.051 4.740 -0.001 0.000 0.264 263 N C -2.336 173.237 175.510 0.105 0.000 1.227 263 N CA -1.416 51.681 53.050 0.077 0.000 0.963 263 N CB 0.395 38.930 38.487 0.081 0.000 1.188 263 N HN 0.413 nan 8.380 nan 0.000 0.491 264 P HA 0.098 nan 4.420 nan 0.000 0.274 264 P C -0.320 177.109 177.300 0.216 0.000 1.246 264 P CA -0.137 63.088 63.100 0.209 0.000 0.795 264 P CB 0.457 32.316 31.700 0.265 0.000 1.006 265 T N -2.118 112.548 114.554 0.186 0.000 2.937 265 T HA 0.638 4.987 4.350 -0.001 0.000 0.283 265 T C -0.182 174.618 174.700 0.166 0.000 1.012 265 T CA -0.804 61.366 62.100 0.117 0.000 0.997 265 T CB 1.405 70.311 68.868 0.064 0.000 1.136 265 T HN 0.398 nan 8.240 nan 0.000 0.551 266 V N -0.451 119.514 119.914 0.085 0.000 3.159 266 V HA 0.821 4.940 4.120 -0.001 0.000 0.308 266 V C -1.916 174.187 176.094 0.015 0.000 1.190 266 V CA -0.923 61.379 62.300 0.003 0.000 1.037 266 V CB 2.198 34.053 31.823 0.054 0.000 1.060 266 V HN 1.102 nan 8.190 nan 0.000 0.437 267 K N 3.319 123.668 120.400 -0.084 0.000 2.546 267 K HA 0.511 4.831 4.320 -0.001 0.000 0.264 267 K C -2.106 174.328 176.600 -0.277 0.000 0.937 267 K CA -0.398 55.799 56.287 -0.150 0.000 0.833 267 K CB 2.721 35.110 32.500 -0.184 0.000 1.378 267 K HN 0.571 nan 8.250 nan 0.000 0.432 268 F N 2.685 122.291 119.950 -0.573 0.000 2.520 268 F HA 0.612 5.139 4.527 -0.001 0.000 0.322 268 F C -1.448 173.775 175.800 -0.961 0.000 1.103 268 F CA -0.612 57.035 58.000 -0.589 0.000 0.926 268 F CB 0.820 39.637 39.000 -0.306 0.000 1.154 268 F HN 0.408 nan 8.300 nan 0.000 0.453 269 F N 3.636 122.822 119.950 -1.274 0.000 2.631 269 F HA 0.775 5.301 4.527 -0.001 0.000 0.328 269 F C -0.909 174.270 175.800 -1.035 0.000 1.067 269 F CA -1.227 56.202 58.000 -0.952 0.000 0.969 269 F CB 2.069 40.521 39.000 -0.914 0.000 1.332 269 F HN 0.094 nan 8.300 nan 0.000 0.490 270 V N 2.362 122.132 119.914 -0.240 0.000 2.509 270 V HA 0.344 4.463 4.120 -0.001 0.000 0.289 270 V C -0.957 175.272 176.094 0.225 0.000 1.026 270 V CA -0.740 61.478 62.300 -0.137 0.000 0.872 270 V CB 1.592 33.137 31.823 -0.463 0.000 1.017 270 V HN 0.521 nan 8.190 nan 0.000 0.436 271 V N 3.376 123.455 119.914 0.276 0.000 2.465 271 V HA 0.337 4.456 4.120 -0.001 0.000 0.279 271 V C 0.192 176.547 176.094 0.435 0.000 1.045 271 V CA -0.351 62.138 62.300 0.316 0.000 0.938 271 V CB 1.802 33.740 31.823 0.193 0.000 0.986 271 V HN 0.878 nan 8.190 nan 0.000 0.467 272 D N 3.701 124.360 120.400 0.432 0.000 2.468 272 D HA 0.063 4.702 4.640 -0.001 0.000 0.218 272 D C 1.555 177.925 176.300 0.118 0.000 1.155 272 D CA 0.138 54.327 54.000 0.316 0.000 0.924 272 D CB 1.322 42.356 40.800 0.390 0.000 1.029 272 D HN 0.755 nan 8.370 nan 0.000 0.515 273 T N 1.622 116.222 114.554 0.076 0.000 2.869 273 T HA -0.227 4.122 4.350 -0.001 0.000 0.270 273 T C 1.690 176.416 174.700 0.043 0.000 1.082 273 T CA 0.887 63.038 62.100 0.086 0.000 1.123 273 T CB -0.137 68.849 68.868 0.196 0.000 0.856 273 T HN 0.361 nan 8.240 nan 0.000 0.499 274 R N 1.081 121.572 120.500 -0.015 0.000 2.127 274 R HA -0.058 4.282 4.340 -0.001 0.000 0.238 274 R C 2.741 179.054 176.300 0.022 0.000 1.134 274 R CA 1.831 57.922 56.100 -0.015 0.000 0.975 274 R CB -0.686 29.582 30.300 -0.054 0.000 0.865 274 R HN 0.752 nan 8.270 nan 0.000 0.447 275 T N -1.637 112.945 114.554 0.046 0.000 3.107 275 T HA 0.182 4.532 4.350 -0.001 0.000 0.249 275 T C 0.775 175.506 174.700 0.053 0.000 1.096 275 T CA -0.174 61.958 62.100 0.055 0.000 1.012 275 T CB -0.023 68.889 68.868 0.073 0.000 0.977 275 T HN -0.005 nan 8.240 nan 0.000 0.527 276 L N 3.102 124.357 121.223 0.053 0.000 2.615 276 L HA 0.264 4.603 4.340 -0.001 0.000 0.271 276 L C -0.232 176.665 176.870 0.045 0.000 1.183 276 L CA 0.083 54.953 54.840 0.049 0.000 0.933 276 L CB -0.194 41.895 42.059 0.050 0.000 1.199 276 L HN 0.307 nan 8.230 nan 0.000 0.487 277 S N 3.440 119.167 115.700 0.045 0.000 2.537 277 S HA 0.334 4.803 4.470 -0.001 0.000 0.271 277 S C -1.853 172.776 174.600 0.047 0.000 1.148 277 S CA -0.854 57.372 58.200 0.043 0.000 0.868 277 S CB 2.160 65.383 63.200 0.039 0.000 1.115 277 S HN 0.362 nan 8.310 nan 0.000 0.461 278 P HA -0.170 nan 4.420 nan 0.000 0.215 278 P C 0.292 177.622 177.300 0.050 0.000 1.163 278 P CA 1.486 64.619 63.100 0.054 0.000 0.894 278 P CB -0.068 31.662 31.700 0.049 0.000 0.791 279 N N -0.058 118.665 118.700 0.038 0.000 2.346 279 N HA 0.278 5.017 4.740 -0.001 0.000 0.225 279 N C 0.339 175.865 175.510 0.028 0.000 1.144 279 N CA 0.131 53.199 53.050 0.030 0.000 0.837 279 N CB 0.214 38.715 38.487 0.023 0.000 1.069 279 N HN 0.198 nan 8.380 nan 0.000 0.487 280 A N -0.036 122.805 122.820 0.035 0.000 2.430 280 A HA 0.682 5.001 4.320 -0.001 0.000 0.300 280 A C 0.204 177.812 177.584 0.040 0.000 1.124 280 A CA -0.591 51.467 52.037 0.035 0.000 0.766 280 A CB 1.048 20.072 19.000 0.040 0.000 1.328 280 A HN 0.166 nan 8.150 nan 0.000 0.424 281 S N -0.290 115.433 115.700 0.037 0.000 2.672 281 S HA 0.574 5.043 4.470 -0.001 0.000 0.276 281 S C -0.163 174.472 174.600 0.059 0.000 1.207 281 S CA -0.597 57.627 58.200 0.040 0.000 1.002 281 S CB 1.117 64.332 63.200 0.026 0.000 0.998 281 S HN 0.860 nan 8.310 nan 0.000 0.542 282 V N 2.276 122.229 119.914 0.065 0.000 2.470 282 V HA 0.209 4.328 4.120 -0.001 0.000 0.276 282 V C 0.570 176.720 176.094 0.094 0.000 1.040 282 V CA -0.145 62.198 62.300 0.072 0.000 1.008 282 V CB 0.617 32.473 31.823 0.056 0.000 0.990 282 V HN 1.008 nan 8.190 nan 0.000 0.477 283 T N 5.418 120.047 114.554 0.125 0.000 2.749 283 T HA 0.496 4.845 4.350 -0.001 0.000 0.295 283 T C -0.033 174.808 174.700 0.234 0.000 0.936 283 T CA -0.127 62.078 62.100 0.176 0.000 1.060 283 T CB 0.412 69.394 68.868 0.190 0.000 0.904 283 T HN 0.866 nan 8.240 nan 0.000 0.500 284 S N 2.663 118.517 115.700 0.257 0.000 2.550 284 S HA 0.568 5.038 4.470 -0.001 0.000 0.270 284 S C -1.747 173.087 174.600 0.389 0.000 1.145 284 S CA -0.949 57.439 58.200 0.313 0.000 0.852 284 S CB 1.317 64.641 63.200 0.206 0.000 1.119 284 S HN 0.643 nan 8.310 nan 0.000 0.465 285 Y N 1.454 121.936 120.300 0.304 0.000 2.425 285 Y HA 0.525 5.074 4.550 -0.001 0.000 0.344 285 Y C -0.381 175.645 175.900 0.210 0.000 0.969 285 Y CA -0.451 57.826 58.100 0.294 0.000 1.052 285 Y CB 1.628 40.352 38.460 0.441 0.000 1.215 285 Y HN 0.791 nan 8.280 nan 0.000 0.451 286 Q N 5.949 125.586 119.800 -0.272 0.000 2.256 286 Q HA 0.521 4.860 4.340 -0.001 0.000 0.254 286 Q C -1.351 174.507 176.000 -0.237 0.000 0.916 286 Q CA -0.492 55.115 55.803 -0.326 0.000 0.932 286 Q CB 0.865 29.410 28.738 -0.322 0.000 1.207 286 Q HN 0.742 nan 8.270 nan 0.000 0.426 287 I N 3.815 124.355 120.570 -0.049 0.000 2.412 287 I HA 0.355 4.524 4.170 -0.001 0.000 0.296 287 I C -0.495 175.666 176.117 0.073 0.000 0.987 287 I CA -0.972 60.423 61.300 0.159 0.000 1.180 287 I CB 1.808 39.989 38.000 0.302 0.000 1.340 287 I HN 0.363 nan 8.210 nan 0.000 0.455 288 V N 7.011 126.933 119.914 0.012 0.000 2.630 288 V HA 0.413 4.532 4.120 -0.001 0.000 0.305 288 V C -1.982 173.939 176.094 -0.288 0.000 1.046 288 V CA -1.645 60.568 62.300 -0.145 0.000 0.934 288 V CB 1.670 33.395 31.823 -0.165 0.000 1.003 288 V HN 0.628 nan 8.190 nan 0.000 0.451 289 P HA 0.257 nan 4.420 nan 0.000 0.270 289 P C -2.787 174.139 177.300 -0.622 0.000 1.223 289 P CA -1.293 61.037 63.100 -1.283 0.000 0.785 289 P CB -0.105 30.307 31.700 -2.146 0.000 0.923 290 P HA 0.029 nan 4.420 nan 0.000 0.272 290 P C 0.849 177.992 177.300 -0.261 0.000 1.240 290 P CA 0.052 63.018 63.100 -0.225 0.000 0.791 290 P CB 0.131 31.772 31.700 -0.098 0.000 0.978 291 A N 1.557 124.269 122.820 -0.180 0.000 1.873 291 A HA -0.237 4.083 4.320 -0.001 0.000 0.218 291 A C 2.122 179.587 177.584 -0.200 0.000 1.193 291 A CA 2.693 54.623 52.037 -0.178 0.000 0.629 291 A CB -2.040 16.887 19.000 -0.122 0.000 0.826 291 A HN 0.605 nan 8.150 nan 0.000 0.447 292 S N -0.718 114.888 115.700 -0.157 0.000 2.421 292 S HA -0.196 4.273 4.470 -0.001 0.000 0.239 292 S C 1.589 176.003 174.600 -0.309 0.000 1.054 292 S CA 1.764 59.839 58.200 -0.210 0.000 1.035 292 S CB -0.640 62.530 63.200 -0.050 0.000 0.840 292 S HN 0.343 nan 8.310 nan 0.000 0.475 293 V N 0.537 120.284 119.914 -0.277 0.000 3.263 293 V HA 0.243 4.363 4.120 -0.001 0.000 0.248 293 V C 1.931 177.734 176.094 -0.486 0.000 1.145 293 V CA 0.293 62.388 62.300 -0.341 0.000 1.107 293 V CB -0.201 31.435 31.823 -0.312 0.000 0.797 293 V HN 0.397 nan 8.190 nan 0.000 0.467 294 L N -0.168 120.760 121.223 -0.493 0.000 2.265 294 L HA -0.165 4.174 4.340 -0.001 0.000 0.215 294 L C 2.197 178.916 176.870 -0.252 0.000 1.117 294 L CA 1.370 55.941 54.840 -0.449 0.000 0.782 294 L CB -0.292 41.559 42.059 -0.348 0.000 0.914 294 L HN 0.343 nan 8.230 nan 0.000 0.441 295 I N -0.487 119.953 120.570 -0.216 0.000 2.109 295 I HA -0.283 3.887 4.170 -0.001 0.000 0.233 295 I C 1.608 177.662 176.117 -0.105 0.000 1.005 295 I CA 1.780 62.990 61.300 -0.150 0.000 1.294 295 I CB -0.983 36.922 38.000 -0.159 0.000 1.005 295 I HN 0.286 nan 8.210 nan 0.000 0.392 296 G N -0.720 108.023 108.800 -0.094 0.000 3.008 296 G HA2 0.272 4.232 3.960 -0.001 0.000 0.181 296 G HA3 0.272 4.232 3.960 -0.001 0.000 0.181 296 G C -1.142 173.773 174.900 0.025 0.000 1.309 296 G CA -0.345 44.727 45.100 -0.047 0.000 1.009 296 G HN 0.119 nan 8.290 nan 0.000 0.584 297 D N 0.868 121.254 120.400 -0.024 0.000 2.443 297 D HA 0.364 5.003 4.640 -0.001 0.000 0.239 297 D C 0.392 176.641 176.300 -0.085 0.000 1.136 297 D CA 0.633 54.582 54.000 -0.084 0.000 0.879 297 D CB 0.560 41.253 40.800 -0.178 0.000 1.195 297 D HN 0.523 nan 8.370 nan 0.000 0.443 298 H N -0.936 117.961 119.070 -0.288 0.000 2.928 298 H HA 0.484 5.039 4.556 -0.001 0.000 0.285 298 H C -1.390 173.779 175.328 -0.265 0.000 1.438 298 H CA -0.800 55.094 56.048 -0.256 0.000 1.176 298 H CB 0.415 30.139 29.762 -0.064 0.000 1.864 298 H HN 0.299 nan 8.280 nan 0.000 0.567 299 Y N 0.018 120.531 120.300 0.354 0.000 2.524 299 Y HA 0.371 4.921 4.550 -0.001 0.000 0.347 299 Y C -0.479 175.764 175.900 0.573 0.000 1.005 299 Y CA -1.058 57.257 58.100 0.358 0.000 1.025 299 Y CB 2.097 40.618 38.460 0.101 0.000 1.275 299 Y HN 0.529 nan 8.280 nan 0.000 0.460 300 L N 3.638 125.332 121.223 0.785 0.000 2.276 300 L HA 0.511 4.851 4.340 -0.001 0.000 0.286 300 L C 0.317 177.445 176.870 0.429 0.000 1.061 300 L CA -0.291 54.737 54.840 0.314 0.000 0.807 300 L CB 0.520 42.659 42.059 0.132 0.000 1.177 300 L HN 0.925 nan 8.230 nan 0.000 0.429 301 C N 1.926 121.349 119.300 0.205 0.000 3.512 301 C HA 0.883 5.343 4.460 -0.001 0.000 0.276 301 C C 0.427 175.526 174.990 0.181 0.000 1.592 301 C CA -0.010 59.196 59.018 0.313 0.000 1.803 301 C CB -0.894 26.956 27.740 0.183 0.000 2.996 301 C HN 1.077 nan 8.230 nan 0.000 0.590 302 G N 0.140 108.886 108.800 -0.090 0.000 2.633 302 G HA2 0.545 4.505 3.960 -0.001 0.000 0.299 302 G HA3 0.545 4.505 3.960 -0.001 0.000 0.299 302 G C -1.888 172.634 174.900 -0.630 0.000 1.501 302 G CA -0.173 44.750 45.100 -0.295 0.000 0.887 302 G HN 0.534 nan 8.290 nan 0.000 0.561 303 V N 0.881 120.343 119.914 -0.753 0.000 2.623 303 V HA 0.817 4.936 4.120 -0.001 0.000 0.304 303 V C -0.380 175.243 176.094 -0.785 0.000 1.054 303 V CA -0.659 60.991 62.300 -1.082 0.000 0.882 303 V CB 2.141 32.773 31.823 -1.985 0.000 1.002 303 V HN 0.944 nan 8.190 nan 0.000 0.424 304 T N 3.097 117.235 114.554 -0.694 0.000 2.928 304 T HA 0.390 4.739 4.350 -0.001 0.000 0.296 304 T C -1.024 173.380 174.700 -0.493 0.000 1.000 304 T CA -0.408 61.424 62.100 -0.446 0.000 0.989 304 T CB 1.079 69.778 68.868 -0.281 0.000 1.005 304 T HN 0.555 nan 8.240 nan 0.000 0.442 305 W N 2.609 123.768 121.300 -0.236 0.000 2.287 305 W HA 0.390 5.049 4.660 -0.001 0.000 0.313 305 W C 1.036 177.420 176.519 -0.225 0.000 1.267 305 W CA -0.411 56.827 57.345 -0.180 0.000 1.201 305 W CB 0.862 30.314 29.460 -0.014 0.000 1.196 305 W HN 0.475 nan 8.180 nan 0.000 0.536 306 V N 1.936 121.842 119.914 -0.014 0.000 2.581 306 V HA 0.096 4.215 4.120 -0.001 0.000 0.240 306 V C 0.812 176.952 176.094 0.078 0.000 1.054 306 V CA 1.477 63.675 62.300 -0.171 0.000 1.076 306 V CB 0.021 31.533 31.823 -0.518 0.000 0.748 306 V HN 0.654 nan 8.190 nan 0.000 0.474 307 T N -3.973 110.697 114.554 0.193 0.000 2.792 307 T HA 0.279 4.629 4.350 -0.001 0.000 0.303 307 T C 0.123 174.991 174.700 0.280 0.000 1.310 307 T CA -0.534 61.682 62.100 0.194 0.000 1.007 307 T CB 1.804 70.766 68.868 0.156 0.000 1.335 307 T HN -0.009 nan 8.240 nan 0.000 0.504 308 E N 0.349 120.662 120.200 0.188 0.000 2.510 308 E HA -0.051 4.299 4.350 -0.001 0.000 0.202 308 E C 0.558 177.382 176.600 0.375 0.000 1.072 308 E CA 0.922 57.448 56.400 0.211 0.000 0.883 308 E CB 0.106 29.892 29.700 0.143 0.000 0.818 308 E HN 0.758 nan 8.360 nan 0.000 0.548 309 E N -0.012 120.392 120.200 0.341 0.000 2.810 309 E HA 0.161 4.510 4.350 -0.001 0.000 0.214 309 E C 0.076 176.885 176.600 0.348 0.000 0.980 309 E CA -0.147 56.412 56.400 0.265 0.000 1.159 309 E CB 0.981 30.777 29.700 0.161 0.000 1.047 309 E HN -0.119 nan 8.360 nan 0.000 0.484 310 R N 1.579 122.355 120.500 0.461 0.000 2.512 310 R HA 0.463 4.802 4.340 -0.001 0.000 0.291 310 R C -1.898 174.472 176.300 0.116 0.000 1.097 310 R CA -0.397 55.871 56.100 0.280 0.000 0.940 310 R CB 1.158 31.521 30.300 0.106 0.000 1.198 310 R HN 0.059 nan 8.270 nan 0.000 0.429 311 I N 2.369 122.872 120.570 -0.112 0.000 2.569 311 I HA 0.376 4.545 4.170 -0.001 0.000 0.296 311 I C -0.930 174.858 176.117 -0.549 0.000 1.028 311 I CA -0.481 60.457 61.300 -0.603 0.000 1.082 311 I CB 2.266 39.527 38.000 -1.231 0.000 1.264 311 I HN 0.625 nan 8.210 nan 0.000 0.429 312 S N 7.384 122.684 115.700 -0.667 0.000 2.461 312 S HA 0.572 5.041 4.470 -0.001 0.000 0.322 312 S C -0.866 173.364 174.600 -0.616 0.000 1.063 312 S CA -0.597 57.276 58.200 -0.544 0.000 1.120 312 S CB 0.282 63.171 63.200 -0.519 0.000 0.968 312 S HN 0.410 nan 8.310 nan 0.000 0.467 313 L N 4.286 125.155 121.223 -0.589 0.000 2.325 313 L HA 0.573 4.913 4.340 -0.001 0.000 0.279 313 L C 0.261 176.759 176.870 -0.619 0.000 1.054 313 L CA 0.169 54.527 54.840 -0.803 0.000 0.804 313 L CB 1.510 43.044 42.059 -0.876 0.000 1.200 313 L HN 0.686 nan 8.230 nan 0.000 0.436 314 Q N 2.077 121.445 119.800 -0.720 0.000 2.320 314 Q HA 0.371 4.711 4.340 -0.001 0.000 0.268 314 Q C -1.815 173.965 176.000 -0.366 0.000 1.023 314 Q CA -0.522 55.039 55.803 -0.403 0.000 0.744 314 Q CB 1.021 29.601 28.738 -0.263 0.000 1.246 314 Q HN 0.581 nan 8.270 nan 0.000 0.462 315 W N 4.586 125.878 121.300 -0.013 0.000 2.576 315 W HA 0.701 5.360 4.660 -0.001 0.000 0.360 315 W C -0.071 176.526 176.519 0.130 0.000 1.109 315 W CA -0.795 56.597 57.345 0.079 0.000 1.237 315 W CB 1.127 30.616 29.460 0.047 0.000 1.369 315 W HN 0.470 nan 8.180 nan 0.000 0.609 316 I N -0.875 119.982 120.570 0.480 0.000 2.680 316 I HA 0.516 4.686 4.170 -0.001 0.000 0.291 316 I C -0.388 175.938 176.117 0.348 0.000 1.244 316 I CA -1.500 60.026 61.300 0.375 0.000 1.042 316 I CB 1.640 39.832 38.000 0.320 0.000 1.277 316 I HN 0.389 nan 8.210 nan 0.000 0.423 317 R N 3.049 123.711 120.500 0.270 0.000 2.784 317 R HA 0.182 4.521 4.340 -0.001 0.000 0.266 317 R C 1.218 177.554 176.300 0.060 0.000 1.044 317 R CA -0.272 55.902 56.100 0.122 0.000 1.151 317 R CB 0.656 30.990 30.300 0.056 0.000 1.037 317 R HN 0.684 nan 8.270 nan 0.000 0.478 318 R N 1.604 122.031 120.500 -0.121 0.000 2.139 318 R HA -0.223 4.117 4.340 -0.001 0.000 0.243 318 R C 1.786 178.117 176.300 0.051 0.000 1.145 318 R CA 1.968 57.949 56.100 -0.197 0.000 0.976 318 R CB -0.287 29.865 30.300 -0.246 0.000 0.866 318 R HN 0.770 nan 8.270 nan 0.000 0.449 319 A N 0.325 123.168 122.820 0.038 0.000 2.070 319 A HA -0.155 4.164 4.320 -0.001 0.000 0.220 319 A C 0.729 178.359 177.584 0.077 0.000 1.159 319 A CA 1.289 53.356 52.037 0.050 0.000 0.656 319 A CB -0.145 18.878 19.000 0.038 0.000 0.800 319 A HN 0.618 nan 8.150 nan 0.000 0.453 320 Q N -1.514 118.366 119.800 0.133 0.000 2.475 320 Q HA -0.213 4.127 4.340 -0.001 0.000 0.280 320 Q C -0.245 175.844 176.000 0.148 0.000 1.234 320 Q CA 0.673 56.564 55.803 0.147 0.000 0.873 320 Q CB -1.744 27.037 28.738 0.073 0.000 1.256 320 Q HN 1.003 nan 8.270 nan 0.000 0.475 321 N N -0.829 117.962 118.700 0.152 0.000 2.307 321 N HA 0.124 4.863 4.740 -0.001 0.000 0.248 321 N C -1.171 174.438 175.510 0.164 0.000 1.322 321 N CA -0.169 52.955 53.050 0.123 0.000 0.861 321 N CB 0.462 38.999 38.487 0.084 0.000 1.303 321 N HN 0.311 nan 8.380 nan 0.000 0.498 322 Y N 0.343 120.679 120.300 0.060 0.000 2.287 322 Y HA 0.549 5.099 4.550 -0.001 0.000 0.321 322 Y C -1.346 174.603 175.900 0.083 0.000 1.173 322 Y CA -0.834 57.300 58.100 0.057 0.000 1.124 322 Y CB 1.209 39.691 38.460 0.036 0.000 1.201 322 Y HN 0.064 nan 8.280 nan 0.000 0.421 323 S N 5.931 121.553 115.700 -0.130 0.000 2.677 323 S HA 0.890 5.359 4.470 -0.001 0.000 0.304 323 S C -1.582 172.962 174.600 -0.094 0.000 1.108 323 S CA -0.571 57.641 58.200 0.019 0.000 0.944 323 S CB 1.374 64.590 63.200 0.027 0.000 1.127 323 S HN 0.768 nan 8.310 nan 0.000 0.511 324 I N 1.611 122.217 120.570 0.060 0.000 2.771 324 I HA 0.460 4.629 4.170 -0.001 0.000 0.291 324 I C -1.988 174.181 176.117 0.086 0.000 1.527 324 I CA -0.688 60.647 61.300 0.059 0.000 1.024 324 I CB 1.484 39.564 38.000 0.133 0.000 1.388 324 I HN 0.691 nan 8.210 nan 0.000 0.447 325 I N 5.328 125.927 120.570 0.048 0.000 2.354 325 I HA 0.341 4.510 4.170 -0.001 0.000 0.292 325 I C -1.163 174.986 176.117 0.055 0.000 0.989 325 I CA -0.295 61.002 61.300 -0.005 0.000 1.188 325 I CB 1.574 39.512 38.000 -0.103 0.000 1.342 325 I HN 0.453 nan 8.210 nan 0.000 0.457 326 D N 7.260 127.669 120.400 0.016 0.000 2.440 326 D HA 0.440 5.080 4.640 -0.001 0.000 0.239 326 D C -0.695 175.580 176.300 -0.041 0.000 1.084 326 D CA -0.248 53.773 54.000 0.035 0.000 0.843 326 D CB 1.109 41.977 40.800 0.113 0.000 1.097 326 D HN 0.273 nan 8.370 nan 0.000 0.531 327 I N 4.546 125.120 120.570 0.006 0.000 2.310 327 I HA 0.241 4.410 4.170 -0.001 0.000 0.287 327 I C -0.251 175.872 176.117 0.010 0.000 1.073 327 I CA -0.619 60.665 61.300 -0.026 0.000 1.216 327 I CB 0.436 38.475 38.000 0.066 0.000 1.415 327 I HN 0.336 nan 8.210 nan 0.000 0.480 328 C N 4.024 123.323 119.300 -0.001 0.000 2.452 328 C HA 0.395 4.854 4.460 -0.001 0.000 0.379 328 C C 0.112 175.221 174.990 0.199 0.000 1.275 328 C CA -0.791 58.289 59.018 0.104 0.000 2.056 328 C CB 0.151 27.981 27.740 0.151 0.000 2.506 328 C HN 0.556 nan 8.230 nan 0.000 0.560 329 D N 0.475 120.957 120.400 0.138 0.000 2.256 329 D HA 0.220 4.860 4.640 -0.001 0.000 0.246 329 D C -0.599 175.606 176.300 -0.159 0.000 1.042 329 D CA -0.223 53.816 54.000 0.066 0.000 0.841 329 D CB 1.167 41.977 40.800 0.016 0.000 1.223 329 D HN 0.618 nan 8.370 nan 0.000 0.470 330 Y N 1.690 121.624 120.300 -0.611 0.000 2.465 330 Y HA 0.117 4.666 4.550 -0.001 0.000 0.331 330 Y C 0.011 175.578 175.900 -0.555 0.000 1.102 330 Y CA -0.014 57.411 58.100 -1.125 0.000 1.358 330 Y CB 0.602 38.251 38.460 -1.353 0.000 1.213 330 Y HN 0.150 nan 8.280 nan 0.000 0.525 331 D N 5.219 125.020 120.400 -0.997 0.000 2.373 331 D HA 0.131 4.770 4.640 -0.001 0.000 0.227 331 D C 0.396 176.173 176.300 -0.872 0.000 1.091 331 D CA -0.164 53.434 54.000 -0.670 0.000 0.840 331 D CB 0.914 41.430 40.800 -0.473 0.000 1.060 331 D HN 0.789 nan 8.370 nan 0.000 0.502 332 E N 1.283 121.172 120.200 -0.518 0.000 2.153 332 E HA -0.170 4.179 4.350 -0.001 0.000 0.194 332 E C 1.730 178.203 176.600 -0.211 0.000 0.988 332 E CA 1.160 57.379 56.400 -0.302 0.000 0.811 332 E CB 0.140 29.820 29.700 -0.032 0.000 0.746 332 E HN 0.578 nan 8.360 nan 0.000 0.466 333 S N 0.040 115.627 115.700 -0.189 0.000 2.447 333 S HA -0.119 4.350 4.470 -0.001 0.000 0.233 333 S C 1.995 176.519 174.600 -0.126 0.000 1.006 333 S CA 1.525 59.654 58.200 -0.118 0.000 0.957 333 S CB -0.160 62.983 63.200 -0.094 0.000 0.773 333 S HN 0.360 nan 8.310 nan 0.000 0.507 334 T N -4.858 109.568 114.554 -0.213 0.000 2.966 334 T HA 0.532 4.881 4.350 -0.001 0.000 0.254 334 T C 1.557 176.143 174.700 -0.190 0.000 0.961 334 T CA 0.834 62.836 62.100 -0.163 0.000 0.915 334 T CB 0.092 68.874 68.868 -0.144 0.000 1.186 334 T HN 1.252 nan 8.240 nan 0.000 0.505 335 G N 2.032 110.571 108.800 -0.434 0.000 2.176 335 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.253 335 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.253 335 G C 0.137 174.759 174.900 -0.463 0.000 0.979 335 G CA -0.041 44.839 45.100 -0.367 0.000 0.641 335 G HN 0.729 nan 8.290 nan 0.000 0.530 336 R N -0.982 119.142 120.500 -0.626 0.000 2.539 336 R HA 0.408 4.748 4.340 -0.001 0.000 0.275 336 R C -0.567 175.115 176.300 -1.029 0.000 1.077 336 R CA -0.368 55.149 56.100 -0.973 0.000 1.097 336 R CB 0.521 30.470 30.300 -0.584 0.000 1.018 336 R HN 0.222 nan 8.270 nan 0.000 0.483 337 W N 3.673 124.333 121.300 -1.066 0.000 2.317 337 W HA 0.346 5.005 4.660 -0.001 0.000 0.327 337 W C -0.272 176.103 176.519 -0.240 0.000 1.036 337 W CA -0.295 56.814 57.345 -0.393 0.000 1.419 337 W CB 0.414 29.780 29.460 -0.157 0.000 1.253 337 W HN 0.304 nan 8.180 nan 0.000 0.392 338 I N 3.242 123.765 120.570 -0.079 0.000 2.342 338 I HA 0.175 4.345 4.170 -0.001 0.000 0.291 338 I C 0.806 176.945 176.117 0.037 0.000 1.010 338 I CA -0.216 61.072 61.300 -0.021 0.000 1.308 338 I CB 1.111 39.061 38.000 -0.083 0.000 1.400 338 I HN 0.212 nan 8.210 nan 0.000 0.488 339 S N 4.227 119.960 115.700 0.054 0.000 2.713 339 S HA 0.675 5.145 4.470 -0.001 0.000 0.283 339 S C -0.465 174.148 174.600 0.022 0.000 1.161 339 S CA -0.378 57.849 58.200 0.046 0.000 0.999 339 S CB 1.378 64.609 63.200 0.051 0.000 1.039 339 S HN 0.673 nan 8.310 nan 0.000 0.548 340 S N 1.456 117.165 115.700 0.016 0.000 2.543 340 S HA 0.328 4.797 4.470 -0.001 0.000 0.273 340 S C 0.537 175.131 174.600 -0.010 0.000 1.152 340 S CA -0.636 57.566 58.200 0.003 0.000 0.910 340 S CB 0.921 64.125 63.200 0.007 0.000 1.105 340 S HN 0.515 nan 8.310 nan 0.000 0.465 341 V N 4.099 124.001 119.914 -0.019 0.000 2.380 341 V HA -0.170 3.950 4.120 -0.001 0.000 0.251 341 V C 2.909 178.969 176.094 -0.057 0.000 1.063 341 V CA 2.640 64.919 62.300 -0.035 0.000 1.055 341 V CB -1.410 30.396 31.823 -0.028 0.000 0.657 341 V HN 0.961 nan 8.190 nan 0.000 0.455 342 A N -0.117 122.680 122.820 -0.038 0.000 1.933 342 A HA -0.183 4.137 4.320 -0.001 0.000 0.218 342 A C 2.227 179.775 177.584 -0.061 0.000 1.175 342 A CA 1.434 53.448 52.037 -0.039 0.000 0.628 342 A CB -0.407 18.590 19.000 -0.005 0.000 0.814 342 A HN 0.534 nan 8.150 nan 0.000 0.444 343 R N -0.177 120.307 120.500 -0.027 0.000 2.391 343 R HA 0.133 4.472 4.340 -0.001 0.000 0.249 343 R C -0.317 175.956 176.300 -0.045 0.000 0.957 343 R CA 0.022 56.140 56.100 0.029 0.000 1.093 343 R CB 0.102 30.454 30.300 0.086 0.000 1.156 343 R HN 0.652 nan 8.270 nan 0.000 0.526 344 Q N -0.088 119.582 119.800 -0.216 0.000 2.266 344 Q HA 0.305 4.644 4.340 -0.001 0.000 0.261 344 Q C -1.031 174.684 176.000 -0.474 0.000 0.985 344 Q CA -0.560 55.136 55.803 -0.178 0.000 0.873 344 Q CB 1.982 30.677 28.738 -0.072 0.000 1.306 344 Q HN 0.210 nan 8.270 nan 0.000 0.447 345 H N 0.630 119.719 119.070 0.032 0.000 3.013 345 H HA 0.374 4.930 4.556 -0.001 0.000 0.326 345 H C -0.892 174.421 175.328 -0.025 0.000 0.973 345 H CA -0.323 55.743 56.048 0.030 0.000 1.369 345 H CB 0.865 30.648 29.762 0.034 0.000 1.598 345 H HN 0.417 nan 8.280 nan 0.000 0.518 346 I N 2.177 122.768 120.570 0.035 0.000 2.428 346 I HA 0.190 4.359 4.170 -0.001 0.000 0.289 346 I C 0.260 176.319 176.117 -0.096 0.000 1.019 346 I CA 0.033 61.265 61.300 -0.114 0.000 1.351 346 I CB 1.081 38.988 38.000 -0.156 0.000 1.412 346 I HN 0.576 nan 8.210 nan 0.000 0.513 347 E N 7.516 127.603 120.200 -0.189 0.000 2.246 347 E HA 0.591 4.940 4.350 -0.001 0.000 0.266 347 E C -1.306 175.187 176.600 -0.179 0.000 0.880 347 E CA -0.614 55.727 56.400 -0.099 0.000 0.762 347 E CB 1.976 31.655 29.700 -0.036 0.000 1.180 347 E HN 0.628 nan 8.360 nan 0.000 0.416 348 I N -0.053 120.450 120.570 -0.111 0.000 3.206 348 I HA 0.752 4.921 4.170 -0.001 0.000 0.313 348 I C -0.935 175.167 176.117 -0.024 0.000 1.103 348 I CA -0.840 60.410 61.300 -0.083 0.000 0.985 348 I CB 2.395 40.361 38.000 -0.057 0.000 1.240 348 I HN 0.340 nan 8.210 nan 0.000 0.464 349 S N -0.004 115.692 115.700 -0.007 0.000 2.614 349 S HA 0.436 4.906 4.470 -0.001 0.000 0.275 349 S C 0.152 174.738 174.600 -0.022 0.000 1.161 349 S CA 0.088 58.275 58.200 -0.022 0.000 0.969 349 S CB 1.455 64.620 63.200 -0.059 0.000 1.059 349 S HN 0.947 nan 8.310 nan 0.000 0.482 350 T N 0.132 114.674 114.554 -0.020 0.000 3.039 350 T HA 0.017 4.366 4.350 -0.001 0.000 0.250 350 T C 1.800 176.478 174.700 -0.037 0.000 1.052 350 T CA 1.123 63.213 62.100 -0.018 0.000 1.125 350 T CB -0.745 68.120 68.868 -0.006 0.000 0.908 350 T HN 0.685 nan 8.240 nan 0.000 0.473 351 T N -1.366 113.169 114.554 -0.032 0.000 3.023 351 T HA 0.505 4.854 4.350 -0.001 0.000 0.266 351 T C 1.370 175.954 174.700 -0.193 0.000 1.093 351 T CA 0.757 62.849 62.100 -0.013 0.000 1.129 351 T CB -0.152 68.794 68.868 0.131 0.000 0.899 351 T HN 0.716 nan 8.240 nan 0.000 0.491 352 G N 0.489 109.036 108.800 -0.421 0.000 2.927 352 G HA2 0.417 4.377 3.960 -0.001 0.000 0.111 352 G HA3 0.417 4.377 3.960 -0.001 0.000 0.111 352 G C -1.683 172.992 174.900 -0.376 0.000 1.198 352 G CA -0.361 44.354 45.100 -0.641 0.000 1.382 352 G HN 0.591 nan 8.290 nan 0.000 0.663 353 W N 0.507 121.495 121.300 -0.520 0.000 2.736 353 W HA 0.812 5.472 4.660 -0.001 0.000 0.355 353 W C -0.437 176.034 176.519 -0.080 0.000 1.102 353 W CA -1.453 55.757 57.345 -0.224 0.000 1.164 353 W CB 1.201 30.523 29.460 -0.231 0.000 1.422 353 W HN 0.310 nan 8.180 nan 0.000 0.572 354 V N 4.144 124.137 119.914 0.132 0.000 2.508 354 V HA 0.509 4.628 4.120 -0.001 0.000 0.281 354 V C 1.055 177.247 176.094 0.164 0.000 1.041 354 V CA 1.174 63.524 62.300 0.082 0.000 1.016 354 V CB -0.164 31.714 31.823 0.092 0.000 0.984 354 V HN 1.320 nan 8.190 nan 0.000 0.478 355 G N 5.788 114.625 108.800 0.062 0.000 2.645 355 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.239 355 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.239 355 G C 0.431 175.421 174.900 0.150 0.000 1.331 355 G CA 0.533 45.693 45.100 0.100 0.000 0.890 355 G HN 0.635 nan 8.290 nan 0.000 0.572 356 R N -1.610 118.978 120.500 0.148 0.000 2.039 356 R HA 0.351 4.691 4.340 -0.001 0.000 0.218 356 R C 1.974 178.215 176.300 -0.099 0.000 1.220 356 R CA 1.593 57.726 56.100 0.055 0.000 0.993 356 R CB -0.064 30.280 30.300 0.074 0.000 0.881 356 R HN 0.382 nan 8.270 nan 0.000 0.450 357 F N 0.396 120.486 119.950 0.234 0.000 2.729 357 F HA 0.327 4.853 4.527 -0.001 0.000 0.315 357 F C 0.011 175.874 175.800 0.104 0.000 1.102 357 F CA -0.409 57.690 58.000 0.166 0.000 1.204 357 F CB 0.741 39.849 39.000 0.180 0.000 1.052 357 F HN -0.009 nan 8.300 nan 0.000 0.551 358 R N -1.061 119.586 120.500 0.245 0.000 3.231 358 R HA 0.242 4.581 4.340 -0.001 0.000 0.279 358 R C -3.471 172.929 176.300 0.166 0.000 0.990 358 R CA -1.499 54.706 56.100 0.175 0.000 0.879 358 R CB 0.045 30.445 30.300 0.167 0.000 1.289 358 R HN -0.327 nan 8.270 nan 0.000 0.529 359 P HA 0.075 nan 4.420 nan 0.000 0.268 359 P C -0.132 177.228 177.300 0.100 0.000 1.205 359 P CA 0.072 63.233 63.100 0.102 0.000 0.771 359 P CB 0.705 32.446 31.700 0.068 0.000 0.858 360 A N 3.372 126.253 122.820 0.100 0.000 2.520 360 A HA 0.040 4.360 4.320 -0.001 0.000 0.235 360 A C 0.470 178.109 177.584 0.092 0.000 1.065 360 A CA 0.035 52.144 52.037 0.120 0.000 0.764 360 A CB -0.375 18.699 19.000 0.123 0.000 1.002 360 A HN 0.569 nan 8.150 nan 0.000 0.502 361 E N 2.393 122.663 120.200 0.117 0.000 2.277 361 E HA 0.350 4.699 4.350 -0.001 0.000 0.274 361 E C -2.272 174.356 176.600 0.047 0.000 1.022 361 E CA -1.756 54.664 56.400 0.034 0.000 0.853 361 E CB 0.784 30.477 29.700 -0.012 0.000 1.086 361 E HN 0.557 nan 8.360 nan 0.000 0.397 362 P HA 0.057 nan 4.420 nan 0.000 0.274 362 P C -0.954 176.268 177.300 -0.130 0.000 1.237 362 P CA 0.050 63.087 63.100 -0.106 0.000 0.793 362 P CB 0.849 32.254 31.700 -0.490 0.000 0.977 363 H N 1.406 120.509 119.070 0.056 0.000 2.970 363 H HA 0.294 4.849 4.556 -0.001 0.000 0.315 363 H C -0.335 175.100 175.328 0.177 0.000 0.992 363 H CA -0.279 55.880 56.048 0.185 0.000 1.363 363 H CB 0.390 30.271 29.762 0.198 0.000 1.532 363 H HN 0.285 nan 8.280 nan 0.000 0.514 364 F N 1.524 121.588 119.950 0.190 0.000 2.370 364 F HA 0.159 4.686 4.527 -0.001 0.000 0.319 364 F C 1.573 177.508 175.800 0.224 0.000 1.129 364 F CA -0.422 57.700 58.000 0.203 0.000 1.109 364 F CB 0.995 40.050 39.000 0.091 0.000 1.262 364 F HN 0.331 nan 8.300 nan 0.000 0.534 365 T N -2.345 112.446 114.554 0.395 0.000 2.902 365 T HA 0.209 4.559 4.350 -0.001 0.000 0.280 365 T C 1.045 175.905 174.700 0.267 0.000 0.992 365 T CA -0.610 61.671 62.100 0.302 0.000 1.015 365 T CB 1.264 70.286 68.868 0.257 0.000 1.044 365 T HN 0.472 nan 8.240 nan 0.000 0.520 366 S N 1.129 116.953 115.700 0.207 0.000 2.374 366 S HA -0.180 4.289 4.470 -0.001 0.000 0.227 366 S C 1.688 176.387 174.600 0.164 0.000 1.037 366 S CA 1.999 60.301 58.200 0.171 0.000 1.024 366 S CB -0.771 62.511 63.200 0.137 0.000 0.861 366 S HN 1.009 nan 8.310 nan 0.000 0.456 367 D N 0.053 120.551 120.400 0.164 0.000 2.310 367 D HA 0.144 4.784 4.640 -0.001 0.000 0.212 367 D C 1.372 177.778 176.300 0.176 0.000 0.965 367 D CA 0.843 54.933 54.000 0.150 0.000 0.879 367 D CB -0.614 40.265 40.800 0.132 0.000 0.921 367 D HN 0.403 nan 8.370 nan 0.000 0.510 368 G N 0.253 109.195 108.800 0.238 0.000 2.168 368 G HA2 -0.409 3.551 3.960 -0.001 0.000 0.263 368 G HA3 -0.409 3.551 3.960 -0.001 0.000 0.263 368 G C 0.702 175.800 174.900 0.329 0.000 0.977 368 G CA 0.474 45.758 45.100 0.307 0.000 0.659 368 G HN 0.518 nan 8.290 nan 0.000 0.533 369 N N -0.007 118.842 118.700 0.248 0.000 2.412 369 N HA 0.253 4.993 4.740 -0.001 0.000 0.184 369 N C 0.718 176.342 175.510 0.190 0.000 1.101 369 N CA 0.648 53.820 53.050 0.202 0.000 0.881 369 N CB 0.168 38.737 38.487 0.137 0.000 0.969 369 N HN 0.705 nan 8.380 nan 0.000 0.459 370 S N 0.002 115.831 115.700 0.215 0.000 2.588 370 S HA 0.625 5.095 4.470 -0.001 0.000 0.269 370 S C -1.239 173.381 174.600 0.033 0.000 1.157 370 S CA -1.080 57.164 58.200 0.074 0.000 0.824 370 S CB 1.216 64.446 63.200 0.051 0.000 1.126 370 S HN 0.183 nan 8.310 nan 0.000 0.464 371 F N -1.430 118.275 119.950 -0.408 0.000 2.662 371 F HA 0.865 5.392 4.527 -0.001 0.000 0.312 371 F C -2.089 173.337 175.800 -0.622 0.000 1.113 371 F CA -1.514 56.115 58.000 -0.617 0.000 0.951 371 F CB 0.701 38.971 39.000 -1.218 0.000 1.344 371 F HN 0.610 nan 8.300 nan 0.000 0.462 372 Y N 0.914 121.250 120.300 0.061 0.000 2.429 372 Y HA 0.694 5.243 4.550 -0.001 0.000 0.342 372 Y C -0.293 175.696 175.900 0.149 0.000 1.004 372 Y CA -0.959 57.159 58.100 0.029 0.000 1.075 372 Y CB 2.214 40.635 38.460 -0.066 0.000 1.214 372 Y HN 0.721 nan 8.280 nan 0.000 0.455 373 K N 2.774 123.333 120.400 0.265 0.000 2.542 373 K HA 0.540 4.859 4.320 -0.001 0.000 0.259 373 K C -1.716 174.996 176.600 0.186 0.000 0.932 373 K CA -0.578 55.841 56.287 0.219 0.000 0.820 373 K CB 1.812 34.371 32.500 0.099 0.000 1.345 373 K HN 0.739 nan 8.250 nan 0.000 0.432 374 I N 5.869 126.523 120.570 0.139 0.000 2.441 374 I HA 0.308 4.477 4.170 -0.001 0.000 0.287 374 I C 0.291 176.486 176.117 0.131 0.000 1.049 374 I CA -0.423 60.944 61.300 0.112 0.000 1.381 374 I CB 0.526 38.568 38.000 0.071 0.000 1.409 374 I HN 0.508 nan 8.210 nan 0.000 0.523 375 I N 1.004 121.678 120.570 0.172 0.000 3.195 375 I HA 0.452 4.622 4.170 -0.001 0.000 0.313 375 I C -0.606 175.632 176.117 0.201 0.000 1.237 375 I CA -0.872 60.532 61.300 0.172 0.000 0.963 375 I CB 2.123 40.242 38.000 0.199 0.000 1.278 375 I HN 0.234 nan 8.210 nan 0.000 0.460 376 S N 2.873 118.639 115.700 0.112 0.000 2.505 376 S HA 0.238 4.707 4.470 -0.001 0.000 0.276 376 S C -0.077 174.593 174.600 0.116 0.000 1.274 376 S CA -0.546 57.673 58.200 0.032 0.000 1.053 376 S CB 0.079 63.238 63.200 -0.069 0.000 0.919 376 S HN 0.743 nan 8.310 nan 0.000 0.490 377 N N 2.556 121.233 118.700 -0.037 0.000 2.364 377 N HA 0.166 4.905 4.740 -0.001 0.000 0.264 377 N C 0.582 176.010 175.510 -0.136 0.000 1.263 377 N CA -0.603 52.290 53.050 -0.263 0.000 0.959 377 N CB 0.053 37.975 38.487 -0.941 0.000 1.204 377 N HN 0.323 nan 8.380 nan 0.000 0.550 378 E N -0.509 119.605 120.200 -0.142 0.000 2.233 378 E HA -0.215 4.134 4.350 -0.001 0.000 0.199 378 E C 0.813 177.366 176.600 -0.078 0.000 1.004 378 E CA 1.520 57.872 56.400 -0.080 0.000 0.819 378 E CB -0.203 29.451 29.700 -0.077 0.000 0.738 378 E HN 0.754 nan 8.360 nan 0.000 0.478 379 E N -1.457 118.691 120.200 -0.087 0.000 2.479 379 E HA 0.118 4.467 4.350 -0.001 0.000 0.193 379 E C 0.778 177.341 176.600 -0.062 0.000 1.049 379 E CA 0.343 56.727 56.400 -0.026 0.000 0.870 379 E CB 0.319 30.049 29.700 0.049 0.000 0.944 379 E HN 0.340 nan 8.360 nan 0.000 0.492 380 G N 0.437 109.159 108.800 -0.130 0.000 2.175 380 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.244 380 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.244 380 G C -0.291 174.372 174.900 -0.394 0.000 0.982 380 G CA -0.090 44.847 45.100 -0.272 0.000 0.641 380 G HN 0.213 nan 8.290 nan 0.000 0.527 381 Y N 0.343 120.527 120.300 -0.193 0.000 2.310 381 Y HA 0.628 5.177 4.550 -0.001 0.000 0.326 381 Y C 0.808 176.530 175.900 -0.296 0.000 1.151 381 Y CA -0.738 57.217 58.100 -0.242 0.000 1.195 381 Y CB 1.095 39.416 38.460 -0.231 0.000 1.210 381 Y HN -0.063 nan 8.280 nan 0.000 0.483 382 K N 3.765 124.016 120.400 -0.248 0.000 2.378 382 K HA 0.168 4.487 4.320 -0.001 0.000 0.288 382 K C -0.945 175.317 176.600 -0.564 0.000 1.057 382 K CA 0.265 56.398 56.287 -0.258 0.000 0.971 382 K CB -0.214 32.188 32.500 -0.164 0.000 0.975 382 K HN 0.543 nan 8.250 nan 0.000 0.475 383 H N 1.841 120.892 119.070 -0.030 0.000 2.946 383 H HA 0.365 4.920 4.556 -0.001 0.000 0.365 383 H C -0.190 175.216 175.328 0.129 0.000 1.197 383 H CA -0.902 55.116 56.048 -0.051 0.000 1.131 383 H CB 1.291 30.932 29.762 -0.201 0.000 1.849 383 H HN 0.338 nan 8.280 nan 0.000 0.555 384 I N 1.390 122.039 120.570 0.131 0.000 2.471 384 I HA 0.034 4.204 4.170 -0.001 0.000 0.286 384 I C 0.427 176.544 176.117 0.000 0.000 1.079 384 I CA 0.165 61.484 61.300 0.033 0.000 1.398 384 I CB 0.355 38.282 38.000 -0.122 0.000 1.403 384 I HN 0.162 nan 8.210 nan 0.000 0.530 385 c N 6.571 125.080 118.600 -0.153 0.000 2.417 385 c HA 0.321 4.890 4.570 -0.001 0.000 0.324 385 c C 0.033 173.949 174.090 -0.291 0.000 1.240 385 c CA -0.466 55.521 56.329 -0.569 0.000 1.632 385 c CB 0.737 42.541 42.510 -1.177 0.000 2.241 385 c HN 0.780 nan 8.230 nan 0.000 0.499 386 H N 4.112 122.896 119.070 -0.477 0.000 2.652 386 H HA 0.475 5.031 4.556 -0.001 0.000 0.298 386 H C -1.080 173.836 175.328 -0.688 0.000 1.076 386 H CA -0.305 55.468 56.048 -0.458 0.000 1.360 386 H CB 0.349 29.989 29.762 -0.203 0.000 1.421 386 H HN 0.572 nan 8.280 nan 0.000 0.464 387 F N 2.376 121.833 119.950 -0.821 0.000 2.470 387 F HA 0.281 4.807 4.527 -0.001 0.000 0.329 387 F C 0.247 175.474 175.800 -0.956 0.000 1.072 387 F CA -0.718 56.661 58.000 -1.035 0.000 0.989 387 F CB 1.698 39.651 39.000 -1.746 0.000 1.193 387 F HN 0.493 nan 8.300 nan 0.000 0.481 388 Q N 0.592 120.157 119.800 -0.392 0.000 2.293 388 Q HA 0.251 4.590 4.340 -0.001 0.000 0.261 388 Q C 0.787 176.817 176.000 0.051 0.000 0.960 388 Q CA -0.378 55.301 55.803 -0.207 0.000 0.882 388 Q CB 2.031 30.670 28.738 -0.166 0.000 1.275 388 Q HN 0.800 nan 8.270 nan 0.000 0.445 389 T N 1.188 115.858 114.554 0.194 0.000 2.649 389 T HA -0.231 4.118 4.350 -0.001 0.000 0.268 389 T C 0.731 175.675 174.700 0.407 0.000 1.036 389 T CA 2.155 64.498 62.100 0.406 0.000 1.157 389 T CB -0.198 68.882 68.868 0.354 0.000 0.861 389 T HN 0.742 nan 8.240 nan 0.000 0.445 390 D N 0.483 121.021 120.400 0.229 0.000 2.491 390 D HA 0.164 4.803 4.640 -0.001 0.000 0.228 390 D C 0.202 176.564 176.300 0.103 0.000 1.183 390 D CA -0.318 53.773 54.000 0.152 0.000 0.827 390 D CB 0.172 41.027 40.800 0.093 0.000 0.989 390 D HN 0.118 nan 8.370 nan 0.000 0.494 391 K N -0.544 119.950 120.400 0.157 0.000 2.400 391 K HA 0.406 4.726 4.320 -0.001 0.000 0.246 391 K C 0.550 177.239 176.600 0.148 0.000 0.995 391 K CA -0.636 55.702 56.287 0.085 0.000 0.840 391 K CB 1.695 34.206 32.500 0.019 0.000 1.293 391 K HN 0.000 nan 8.250 nan 0.000 0.445 392 S N -1.167 114.572 115.700 0.065 0.000 2.502 392 S HA -0.018 4.451 4.470 -0.001 0.000 0.215 392 S C 0.248 174.878 174.600 0.050 0.000 1.009 392 S CA -0.234 58.023 58.200 0.095 0.000 0.908 392 S CB -0.471 62.744 63.200 0.026 0.000 0.801 392 S HN 0.657 nan 8.310 nan 0.000 0.505 393 N N 2.076 120.749 118.700 -0.045 0.000 2.426 393 N HA 0.528 5.267 4.740 -0.001 0.000 0.275 393 N C -0.094 175.233 175.510 -0.305 0.000 1.019 393 N CA -0.725 52.239 53.050 -0.144 0.000 0.941 393 N CB 0.948 39.369 38.487 -0.110 0.000 1.123 393 N HN 0.462 nan 8.380 nan 0.000 0.486 394 c N 0.029 118.312 118.600 -0.528 0.000 2.423 394 c HA 0.824 5.393 4.570 -0.001 0.000 0.378 394 c C -0.136 173.603 174.090 -0.585 0.000 1.244 394 c CA -0.643 55.192 56.329 -0.822 0.000 1.978 394 c CB 1.014 42.425 42.510 -1.831 0.000 2.252 394 c HN 0.692 nan 8.230 nan 0.000 0.526 395 T N 1.771 116.007 114.554 -0.529 0.000 2.815 395 T HA 0.476 4.826 4.350 -0.001 0.000 0.289 395 T C -0.692 173.823 174.700 -0.308 0.000 1.000 395 T CA 0.154 62.086 62.100 -0.281 0.000 0.958 395 T CB 0.338 69.158 68.868 -0.080 0.000 0.944 395 T HN 0.494 nan 8.240 nan 0.000 0.442 396 F N 2.964 122.787 119.950 -0.210 0.000 2.506 396 F HA 0.280 4.807 4.527 -0.001 0.000 0.351 396 F C 1.598 177.204 175.800 -0.323 0.000 1.136 396 F CA -0.604 57.253 58.000 -0.237 0.000 1.298 396 F CB 0.547 39.417 39.000 -0.216 0.000 1.145 396 F HN 0.582 nan 8.300 nan 0.000 0.593 397 I N -1.347 119.097 120.570 -0.210 0.000 4.240 397 I HA 0.301 4.471 4.170 -0.001 0.000 0.331 397 I C -0.167 175.804 176.117 -0.244 0.000 1.381 397 I CA -0.052 60.921 61.300 -0.544 0.000 1.136 397 I CB 0.174 37.579 38.000 -0.992 0.000 1.137 397 I HN 0.466 nan 8.210 nan 0.000 0.411 398 T N -0.166 114.282 114.554 -0.176 0.000 2.883 398 T HA 0.769 5.118 4.350 -0.001 0.000 0.296 398 T C -0.795 173.482 174.700 -0.705 0.000 1.117 398 T CA -0.649 61.315 62.100 -0.227 0.000 1.006 398 T CB 2.772 71.585 68.868 -0.093 0.000 1.191 398 T HN 0.323 nan 8.240 nan 0.000 0.508 399 K N -0.340 119.497 120.400 -0.940 0.000 2.685 399 K HA 0.737 5.056 4.320 -0.001 0.000 0.290 399 K C -0.478 175.622 176.600 -0.833 0.000 1.018 399 K CA -0.259 55.263 56.287 -1.275 0.000 0.860 399 K CB 1.182 33.296 32.500 -0.643 0.000 1.498 399 K HN 1.952 nan 8.250 nan 0.000 0.390 400 G N -0.706 107.647 108.800 -0.744 0.000 2.340 400 G HA2 0.425 4.385 3.960 -0.001 0.000 0.527 400 G HA3 0.425 4.385 3.960 -0.001 0.000 0.527 400 G C -1.237 173.202 174.900 -0.768 0.000 1.381 400 G CA -0.192 44.629 45.100 -0.464 0.000 1.001 400 G HN 1.127 nan 8.290 nan 0.000 0.626 401 A N 1.112 123.606 122.820 -0.543 0.000 3.118 401 A HA 0.646 4.966 4.320 -0.001 0.000 0.256 401 A C 0.273 177.592 177.584 -0.441 0.000 1.667 401 A CA 0.569 51.981 52.037 -1.042 0.000 1.338 401 A CB -1.074 17.625 19.000 -0.501 0.000 1.127 401 A HN 1.739 nan 8.150 nan 0.000 0.634 402 W N -0.931 120.128 121.300 -0.403 0.000 2.923 402 W HA 0.699 5.358 4.660 -0.001 0.000 0.373 402 W C -1.165 175.346 176.519 -0.013 0.000 1.205 402 W CA -0.819 56.492 57.345 -0.056 0.000 1.180 402 W CB 0.464 29.904 29.460 -0.034 0.000 1.477 402 W HN 0.244 nan 8.180 nan 0.000 0.581 403 E N 0.819 121.171 120.200 0.253 0.000 2.314 403 E HA 0.399 4.748 4.350 -0.001 0.000 0.272 403 E C -1.141 175.520 176.600 0.102 0.000 0.884 403 E CA -1.091 55.256 56.400 -0.088 0.000 0.753 403 E CB 3.429 33.138 29.700 0.014 0.000 1.213 403 E HN 0.171 nan 8.360 nan 0.000 0.432 404 V N 4.301 124.132 119.914 -0.137 0.000 2.521 404 V HA -0.021 4.099 4.120 -0.001 0.000 0.286 404 V C 1.250 177.400 176.094 0.094 0.000 1.034 404 V CA 0.109 62.430 62.300 0.034 0.000 1.045 404 V CB 0.416 32.130 31.823 -0.183 0.000 0.974 404 V HN 0.710 nan 8.190 nan 0.000 0.480 405 I N 3.125 123.800 120.570 0.175 0.000 2.400 405 I HA 0.244 4.413 4.170 -0.001 0.000 0.248 405 I C 1.121 177.345 176.117 0.177 0.000 1.109 405 I CA 1.265 62.676 61.300 0.186 0.000 1.425 405 I CB -0.898 37.174 38.000 0.121 0.000 1.094 405 I HN 0.777 nan 8.210 nan 0.000 0.425 406 G N 0.493 109.390 108.800 0.162 0.000 2.519 406 G HA2 0.496 4.455 3.960 -0.001 0.000 0.292 406 G HA3 0.496 4.455 3.960 -0.001 0.000 0.292 406 G C -1.333 173.627 174.900 0.100 0.000 1.507 406 G CA -0.629 44.553 45.100 0.137 0.000 0.806 406 G HN -0.043 nan 8.290 nan 0.000 0.523 407 I N 1.504 122.044 120.570 -0.050 0.000 2.325 407 I HA 0.250 4.419 4.170 -0.001 0.000 0.291 407 I C 0.958 176.986 176.117 -0.148 0.000 1.019 407 I CA -0.533 60.639 61.300 -0.212 0.000 1.302 407 I CB 1.815 39.399 38.000 -0.694 0.000 1.401 407 I HN 0.534 nan 8.210 nan 0.000 0.485 408 E N 4.700 124.884 120.200 -0.027 0.000 2.166 408 E HA 0.240 4.590 4.350 -0.001 0.000 0.192 408 E C 0.227 176.762 176.600 -0.108 0.000 0.967 408 E CA 0.370 56.773 56.400 0.005 0.000 0.840 408 E CB 0.739 30.473 29.700 0.057 0.000 0.795 408 E HN 0.736 nan 8.360 nan 0.000 0.470 409 A N 0.298 122.970 122.820 -0.246 0.000 2.610 409 A HA 0.627 4.946 4.320 -0.001 0.000 0.291 409 A C -1.924 175.611 177.584 -0.082 0.000 1.086 409 A CA -0.592 51.274 52.037 -0.285 0.000 0.677 409 A CB 1.447 19.889 19.000 -0.930 0.000 1.278 409 A HN 0.047 nan 8.150 nan 0.000 0.414 410 L N 0.696 121.926 121.223 0.011 0.000 2.513 410 L HA 0.799 5.138 4.340 -0.001 0.000 0.261 410 L C 0.084 177.016 176.870 0.103 0.000 0.945 410 L CA 0.618 55.498 54.840 0.068 0.000 0.848 410 L CB 2.238 44.365 42.059 0.114 0.000 1.334 410 L HN 1.345 nan 8.230 nan 0.000 0.407 411 T N -0.726 113.893 114.554 0.108 0.000 2.718 411 T HA 0.441 4.791 4.350 -0.001 0.000 0.267 411 T C 0.882 175.623 174.700 0.068 0.000 0.957 411 T CA 0.176 62.343 62.100 0.113 0.000 1.025 411 T CB 1.042 70.007 68.868 0.163 0.000 1.355 411 T HN 0.700 nan 8.240 nan 0.000 0.572 412 S N -0.667 115.061 115.700 0.046 0.000 2.496 412 S HA 0.021 4.490 4.470 -0.001 0.000 0.224 412 S C 0.788 175.341 174.600 -0.079 0.000 0.996 412 S CA 0.595 58.806 58.200 0.018 0.000 0.927 412 S CB -0.452 62.764 63.200 0.026 0.000 0.774 412 S HN 0.668 nan 8.310 nan 0.000 0.524 413 D N -0.199 120.092 120.400 -0.182 0.000 2.431 413 D HA 0.226 4.866 4.640 -0.001 0.000 0.235 413 D C -0.209 175.676 176.300 -0.691 0.000 0.980 413 D CA 0.738 54.425 54.000 -0.522 0.000 0.912 413 D CB 0.137 40.440 40.800 -0.829 0.000 1.056 413 D HN 0.464 nan 8.370 nan 0.000 0.494 414 Y N -0.219 120.023 120.300 -0.097 0.000 2.602 414 Y HA 0.580 5.129 4.550 -0.001 0.000 0.342 414 Y C -0.360 175.373 175.900 -0.279 0.000 1.029 414 Y CA -1.146 56.810 58.100 -0.240 0.000 1.080 414 Y CB 2.286 40.496 38.460 -0.417 0.000 1.284 414 Y HN -0.273 nan 8.280 nan 0.000 0.485 415 L N 1.649 122.743 121.223 -0.214 0.000 2.409 415 L HA 0.593 4.933 4.340 -0.001 0.000 0.272 415 L C -2.005 174.702 176.870 -0.271 0.000 0.980 415 L CA -0.661 54.045 54.840 -0.223 0.000 0.826 415 L CB 1.296 43.149 42.059 -0.344 0.000 1.268 415 L HN 0.651 nan 8.230 nan 0.000 0.407 416 Y N 4.381 124.572 120.300 -0.182 0.000 2.387 416 Y HA 0.593 5.142 4.550 -0.001 0.000 0.336 416 Y C -0.346 175.514 175.900 -0.066 0.000 1.067 416 Y CA -0.415 57.562 58.100 -0.204 0.000 1.114 416 Y CB 1.547 39.736 38.460 -0.452 0.000 1.208 416 Y HN 0.540 nan 8.280 nan 0.000 0.458 417 Y N 0.294 120.640 120.300 0.078 0.000 2.689 417 Y HA 0.818 5.367 4.550 -0.001 0.000 0.333 417 Y C -1.941 174.037 175.900 0.131 0.000 1.190 417 Y CA -1.821 56.313 58.100 0.058 0.000 1.063 417 Y CB 1.109 39.575 38.460 0.009 0.000 1.294 417 Y HN 0.296 nan 8.280 nan 0.000 0.466 418 I N 2.575 123.354 120.570 0.349 0.000 2.530 418 I HA 0.693 4.863 4.170 -0.001 0.000 0.297 418 I C -0.290 176.046 176.117 0.365 0.000 1.011 418 I CA -0.399 61.051 61.300 0.249 0.000 1.107 418 I CB 1.670 39.768 38.000 0.164 0.000 1.285 418 I HN 0.920 nan 8.210 nan 0.000 0.436 419 S N 3.280 119.129 115.700 0.249 0.000 2.615 419 S HA 0.419 4.889 4.470 -0.001 0.000 0.269 419 S C -0.701 173.970 174.600 0.119 0.000 1.161 419 S CA -0.796 57.548 58.200 0.239 0.000 0.817 419 S CB 1.874 65.274 63.200 0.333 0.000 1.131 419 S HN 0.601 nan 8.310 nan 0.000 0.467 420 N N -0.150 118.629 118.700 0.132 0.000 2.389 420 N HA 0.155 4.895 4.740 -0.001 0.000 0.260 420 N C 0.510 176.041 175.510 0.034 0.000 1.191 420 N CA -0.112 52.973 53.050 0.058 0.000 0.885 420 N CB 0.343 38.846 38.487 0.026 0.000 1.162 420 N HN 0.847 nan 8.380 nan 0.000 0.512 421 E N 0.522 120.632 120.200 -0.151 0.000 2.028 421 E HA -0.232 4.118 4.350 -0.001 0.000 0.191 421 E C -0.073 176.418 176.600 -0.180 0.000 0.988 421 E CA 0.477 56.575 56.400 -0.504 0.000 0.799 421 E CB -0.265 28.518 29.700 -1.530 0.000 0.755 421 E HN 0.463 nan 8.360 nan 0.000 0.447 422 H N 1.463 120.482 119.070 -0.083 0.000 3.223 422 H HA -0.098 4.457 4.556 -0.001 0.000 0.287 422 H C -0.161 175.154 175.328 -0.023 0.000 0.910 422 H CA 1.465 57.501 56.048 -0.020 0.000 1.406 422 H CB 0.034 29.809 29.762 0.021 0.000 1.377 422 H HN 0.213 nan 8.280 nan 0.000 0.556 423 K N 2.831 122.993 120.400 -0.396 0.000 3.088 423 K HA -0.220 4.099 4.320 -0.001 0.000 0.273 423 K C 0.912 177.484 176.600 -0.047 0.000 1.111 423 K CA 0.695 56.833 56.287 -0.249 0.000 0.803 423 K CB -1.771 30.569 32.500 -0.268 0.000 1.226 423 K HN 1.092 nan 8.250 nan 0.000 0.485 424 G N 0.765 109.550 108.800 -0.026 0.000 2.416 424 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.301 424 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.301 424 G C 0.049 175.015 174.900 0.110 0.000 0.985 424 G CA 1.056 46.200 45.100 0.074 0.000 0.934 424 G HN 0.400 nan 8.290 nan 0.000 0.513 425 M N 0.617 120.183 119.600 -0.057 0.000 2.047 425 M HA 0.207 4.687 4.480 -0.001 0.000 0.342 425 M C -0.907 175.170 176.300 -0.373 0.000 1.058 425 M CA -2.110 52.958 55.300 -0.386 0.000 0.991 425 M CB 1.810 34.189 32.600 -0.368 0.000 1.474 425 M HN -0.093 nan 8.290 nan 0.000 0.419 426 P HA -0.149 nan 4.420 nan 0.000 0.218 426 P C 0.892 178.070 177.300 -0.202 0.000 1.146 426 P CA 1.315 64.288 63.100 -0.211 0.000 0.813 426 P CB 0.060 31.666 31.700 -0.157 0.000 0.778 427 G N -0.471 108.134 108.800 -0.325 0.000 3.678 427 G HA2 0.421 4.381 3.960 -0.001 0.000 0.287 427 G HA3 0.421 4.381 3.960 -0.001 0.000 0.287 427 G C 0.362 175.250 174.900 -0.019 0.000 1.280 427 G CA 0.011 45.035 45.100 -0.127 0.000 1.118 427 G HN 0.443 nan 8.290 nan 0.000 0.563 428 G N -0.104 108.645 108.800 -0.086 0.000 2.563 428 G HA2 0.681 4.641 3.960 -0.001 0.000 0.302 428 G HA3 0.681 4.641 3.960 -0.001 0.000 0.302 428 G C -1.081 173.718 174.900 -0.168 0.000 1.301 428 G CA -0.801 44.275 45.100 -0.041 0.000 0.965 428 G HN 0.114 nan 8.290 nan 0.000 0.480 429 R N 0.904 121.275 120.500 -0.214 0.000 2.686 429 R HA 0.568 4.908 4.340 -0.001 0.000 0.283 429 R C -1.232 175.103 176.300 0.058 0.000 0.978 429 R CA -0.911 55.067 56.100 -0.204 0.000 0.897 429 R CB 2.232 32.196 30.300 -0.559 0.000 1.192 429 R HN 0.603 nan 8.270 nan 0.000 0.457 430 N N 1.178 119.947 118.700 0.114 0.000 2.484 430 N HA 0.296 5.035 4.740 -0.001 0.000 0.269 430 N C -1.489 174.036 175.510 0.024 0.000 1.237 430 N CA -0.738 52.342 53.050 0.050 0.000 0.838 430 N CB 2.572 41.031 38.487 -0.047 0.000 1.593 430 N HN 0.266 nan 8.380 nan 0.000 0.485 431 L N 2.287 123.373 121.223 -0.228 0.000 2.276 431 L HA 0.477 4.816 4.340 -0.001 0.000 0.286 431 L C -1.314 175.337 176.870 -0.365 0.000 1.061 431 L CA 0.021 54.747 54.840 -0.191 0.000 0.807 431 L CB -0.017 41.903 42.059 -0.231 0.000 1.177 431 L HN 0.409 nan 8.230 nan 0.000 0.429 432 Y N 4.026 124.027 120.300 -0.498 0.000 2.536 432 Y HA 0.648 5.197 4.550 -0.001 0.000 0.347 432 Y C -0.095 175.491 175.900 -0.523 0.000 1.000 432 Y CA -0.816 56.937 58.100 -0.580 0.000 1.051 432 Y CB 1.648 39.567 38.460 -0.902 0.000 1.259 432 Y HN 0.504 nan 8.280 nan 0.000 0.468 433 R N 2.328 122.681 120.500 -0.244 0.000 2.778 433 R HA 0.831 5.170 4.340 -0.001 0.000 0.277 433 R C -1.889 174.308 176.300 -0.172 0.000 0.977 433 R CA -0.800 55.058 56.100 -0.402 0.000 0.950 433 R CB 1.781 31.741 30.300 -0.567 0.000 1.165 433 R HN 0.886 nan 8.270 nan 0.000 0.474 434 I N 1.790 122.290 120.570 -0.116 0.000 2.656 434 I HA 0.201 4.371 4.170 -0.001 0.000 0.292 434 I C -1.175 175.011 176.117 0.114 0.000 1.144 434 I CA -0.649 60.690 61.300 0.065 0.000 1.038 434 I CB 2.318 40.409 38.000 0.152 0.000 1.244 434 I HN 0.671 nan 8.210 nan 0.000 0.420 435 Q N 5.096 124.995 119.800 0.167 0.000 2.307 435 Q HA 0.212 4.551 4.340 -0.001 0.000 0.259 435 Q C 0.353 176.369 176.000 0.028 0.000 0.998 435 Q CA -0.562 55.299 55.803 0.096 0.000 0.923 435 Q CB 1.276 30.070 28.738 0.093 0.000 1.196 435 Q HN 0.683 nan 8.270 nan 0.000 0.416 436 L N 3.245 124.432 121.223 -0.060 0.000 2.261 436 L HA -0.232 4.108 4.340 -0.001 0.000 0.216 436 L C 1.550 178.385 176.870 -0.059 0.000 1.114 436 L CA 1.455 56.307 54.840 0.020 0.000 0.777 436 L CB -0.629 41.404 42.059 -0.044 0.000 0.910 436 L HN 0.670 nan 8.230 nan 0.000 0.440 437 N N -1.931 116.687 118.700 -0.137 0.000 2.268 437 N HA 0.031 4.770 4.740 -0.001 0.000 0.204 437 N C -0.433 174.936 175.510 -0.234 0.000 1.124 437 N CA 0.157 53.099 53.050 -0.181 0.000 0.838 437 N CB 0.171 38.584 38.487 -0.124 0.000 0.994 437 N HN 0.243 nan 8.380 nan 0.000 0.489 438 D N -0.458 119.791 120.400 -0.251 0.000 2.684 438 D HA 0.054 4.694 4.640 -0.001 0.000 0.233 438 D C -0.602 175.667 176.300 -0.052 0.000 1.374 438 D CA -0.489 53.394 54.000 -0.195 0.000 0.906 438 D CB -0.481 40.270 40.800 -0.082 0.000 1.526 438 D HN -0.114 nan 8.370 nan 0.000 0.518 439 Y N 0.947 121.256 120.300 0.015 0.000 2.736 439 Y HA -0.039 4.510 4.550 -0.001 0.000 0.298 439 Y C 2.259 178.182 175.900 0.039 0.000 1.156 439 Y CA 0.896 59.011 58.100 0.025 0.000 1.384 439 Y CB -0.819 37.656 38.460 0.025 0.000 0.976 439 Y HN 0.321 nan 8.280 nan 0.000 0.556 440 T N -0.893 113.743 114.554 0.137 0.000 2.978 440 T HA -0.035 4.314 4.350 -0.001 0.000 0.262 440 T C 0.888 175.642 174.700 0.090 0.000 1.063 440 T CA 0.492 62.650 62.100 0.097 0.000 1.140 440 T CB -0.038 68.859 68.868 0.049 0.000 0.886 440 T HN 0.158 nan 8.240 nan 0.000 0.470 441 K N 2.451 122.902 120.400 0.085 0.000 2.150 441 K HA 0.373 4.692 4.320 -0.001 0.000 0.261 441 K C -0.982 175.675 176.600 0.095 0.000 1.127 441 K CA -0.165 56.169 56.287 0.078 0.000 0.989 441 K CB 0.678 33.221 32.500 0.071 0.000 1.475 441 K HN 0.060 nan 8.250 nan 0.000 0.391 442 V N 1.963 121.932 119.914 0.092 0.000 2.531 442 V HA 0.435 4.554 4.120 -0.001 0.000 0.301 442 V C -0.925 175.203 176.094 0.056 0.000 1.034 442 V CA -0.155 62.205 62.300 0.100 0.000 0.865 442 V CB 2.027 33.956 31.823 0.178 0.000 0.995 442 V HN 0.498 nan 8.190 nan 0.000 0.424 443 T N 5.993 120.538 114.554 -0.014 0.000 2.841 443 T HA 0.327 4.676 4.350 -0.001 0.000 0.283 443 T C -0.687 173.878 174.700 -0.225 0.000 1.000 443 T CA -0.257 61.787 62.100 -0.093 0.000 0.977 443 T CB 1.198 69.996 68.868 -0.117 0.000 0.979 443 T HN 0.944 nan 8.240 nan 0.000 0.446 444 C N 5.971 125.046 119.300 -0.375 0.000 2.227 444 C HA 0.415 4.875 4.460 -0.001 0.000 0.333 444 C C 1.715 176.386 174.990 -0.531 0.000 1.145 444 C CA -0.683 57.865 59.018 -0.783 0.000 1.643 444 C CB -2.217 24.910 27.740 -1.023 0.000 2.185 444 C HN 0.963 nan 8.230 nan 0.000 0.497 445 L N 4.601 125.548 121.223 -0.460 0.000 2.551 445 L HA 0.032 4.372 4.340 -0.001 0.000 0.228 445 L C 2.055 178.681 176.870 -0.406 0.000 1.153 445 L CA 1.132 55.781 54.840 -0.319 0.000 0.851 445 L CB -0.423 41.510 42.059 -0.210 0.000 0.959 445 L HN 0.891 nan 8.230 nan 0.000 0.451 446 S N -3.707 111.651 115.700 -0.571 0.000 2.649 446 S HA 0.015 4.484 4.470 -0.001 0.000 0.246 446 S C 1.726 176.019 174.600 -0.512 0.000 1.057 446 S CA -0.163 57.615 58.200 -0.705 0.000 1.051 446 S CB -0.287 62.153 63.200 -1.267 0.000 1.018 446 S HN 0.313 nan 8.310 nan 0.000 0.569 447 C N 1.917 120.872 119.300 -0.574 0.000 2.401 447 C HA 0.070 4.529 4.460 -0.001 0.000 0.276 447 C C 1.761 176.531 174.990 -0.367 0.000 1.233 447 C CA 1.103 59.710 59.018 -0.684 0.000 1.753 447 C CB -1.057 25.967 27.740 -1.193 0.000 2.029 447 C HN 0.612 nan 8.230 nan 0.000 0.478 448 E N -0.285 119.768 120.200 -0.245 0.000 2.815 448 E HA 0.285 4.635 4.350 -0.001 0.000 0.211 448 E C 1.189 177.758 176.600 -0.052 0.000 1.004 448 E CA -0.062 56.280 56.400 -0.097 0.000 1.173 448 E CB -0.078 29.581 29.700 -0.068 0.000 1.163 448 E HN 0.536 nan 8.360 nan 0.000 0.449 449 L N -0.594 120.606 121.223 -0.038 0.000 2.298 449 L HA 0.234 4.574 4.340 -0.001 0.000 0.209 449 L C 0.122 177.015 176.870 0.038 0.000 1.084 449 L CA 0.556 55.399 54.840 0.005 0.000 0.816 449 L CB 0.134 42.206 42.059 0.022 0.000 0.967 449 L HN 0.071 nan 8.230 nan 0.000 0.460 450 N N -1.438 117.301 118.700 0.066 0.000 2.620 450 N HA 0.078 4.817 4.740 -0.001 0.000 0.277 450 N C -2.039 173.506 175.510 0.059 0.000 1.726 450 N CA -0.593 52.489 53.050 0.053 0.000 0.840 450 N CB 0.713 39.228 38.487 0.048 0.000 1.379 450 N HN -0.135 nan 8.380 nan 0.000 0.506 451 P HA -0.290 nan 4.420 nan 0.000 0.222 451 P C 0.514 177.858 177.300 0.074 0.000 1.154 451 P CA 1.660 64.811 63.100 0.084 0.000 0.874 451 P CB 0.574 32.322 31.700 0.079 0.000 0.787 452 E N -0.857 119.371 120.200 0.046 0.000 2.099 452 E HA -0.027 4.322 4.350 -0.001 0.000 0.191 452 E C 2.320 178.931 176.600 0.018 0.000 0.962 452 E CA 0.474 56.894 56.400 0.034 0.000 0.826 452 E CB -0.492 29.221 29.700 0.023 0.000 0.788 452 E HN 0.287 nan 8.360 nan 0.000 0.461 453 R N -0.011 120.489 120.500 0.001 0.000 2.119 453 R HA 0.024 4.364 4.340 -0.001 0.000 0.222 453 R C 0.026 176.293 176.300 -0.055 0.000 1.088 453 R CA 0.712 56.794 56.100 -0.031 0.000 0.984 453 R CB 0.266 30.537 30.300 -0.047 0.000 0.884 453 R HN 0.048 nan 8.270 nan 0.000 0.447 454 c N 0.392 118.965 118.600 -0.046 0.000 2.346 454 c HA 0.413 4.982 4.570 -0.001 0.000 0.326 454 c C -0.011 174.056 174.090 -0.037 0.000 1.224 454 c CA -0.695 55.545 56.329 -0.148 0.000 1.408 454 c CB 1.570 43.918 42.510 -0.269 0.000 2.089 454 c HN 0.522 nan 8.230 nan 0.000 0.456 455 Q N 0.250 120.031 119.800 -0.033 0.000 2.081 455 Q HA 0.185 4.524 4.340 -0.001 0.000 0.220 455 Q C -0.963 175.117 176.000 0.133 0.000 0.775 455 Q CA 0.068 55.935 55.803 0.106 0.000 0.983 455 Q CB 1.186 29.997 28.738 0.122 0.000 1.188 455 Q HN 0.795 nan 8.270 nan 0.000 0.458 456 Y N 0.623 120.866 120.300 -0.096 0.000 2.488 456 Y HA 0.403 4.953 4.550 -0.001 0.000 0.330 456 Y C -1.528 174.374 175.900 0.004 0.000 1.013 456 Y CA -1.054 57.053 58.100 0.011 0.000 1.304 456 Y CB 0.539 39.025 38.460 0.043 0.000 1.098 456 Y HN -0.085 nan 8.280 nan 0.000 0.498 457 Y N 1.758 122.118 120.300 0.100 0.000 2.567 457 Y HA 0.709 5.258 4.550 -0.001 0.000 0.333 457 Y C 0.126 176.146 175.900 0.200 0.000 1.106 457 Y CA -0.683 57.508 58.100 0.151 0.000 1.157 457 Y CB 2.215 40.676 38.460 0.002 0.000 1.277 457 Y HN 0.461 nan 8.280 nan 0.000 0.490 458 S N 0.372 116.360 115.700 0.480 0.000 2.546 458 S HA 0.950 5.420 4.470 -0.001 0.000 0.274 458 S C -1.254 173.525 174.600 0.299 0.000 1.121 458 S CA -0.823 57.612 58.200 0.391 0.000 0.887 458 S CB 1.822 65.342 63.200 0.533 0.000 1.094 458 S HN 0.944 nan 8.310 nan 0.000 0.474 459 A N 0.800 123.776 122.820 0.260 0.000 2.423 459 A HA 0.915 5.235 4.320 -0.001 0.000 0.304 459 A C -0.473 177.289 177.584 0.297 0.000 1.104 459 A CA -0.836 51.340 52.037 0.230 0.000 0.757 459 A CB 1.890 21.002 19.000 0.187 0.000 1.313 459 A HN 1.264 nan 8.150 nan 0.000 0.423 460 S N 0.745 116.614 115.700 0.281 0.000 2.789 460 S HA 0.643 5.113 4.470 -0.001 0.000 0.286 460 S C -1.372 173.439 174.600 0.352 0.000 1.153 460 S CA -0.392 58.041 58.200 0.388 0.000 1.084 460 S CB -0.332 63.122 63.200 0.423 0.000 1.036 460 S HN 0.414 nan 8.310 nan 0.000 0.484 461 F N 2.890 122.887 119.950 0.078 0.000 2.371 461 F HA 0.482 5.008 4.527 -0.001 0.000 0.329 461 F C 1.452 176.861 175.800 -0.652 0.000 1.107 461 F CA -0.348 57.540 58.000 -0.187 0.000 1.137 461 F CB 1.268 40.132 39.000 -0.225 0.000 1.214 461 F HN 0.610 nan 8.300 nan 0.000 0.536 462 S N 1.021 116.107 115.700 -1.023 0.000 2.632 462 S HA 0.333 4.803 4.470 -0.001 0.000 0.267 462 S C -0.064 174.338 174.600 -0.330 0.000 1.193 462 S CA -0.953 56.450 58.200 -1.327 0.000 1.003 462 S CB 0.141 62.473 63.200 -1.445 0.000 1.073 462 S HN 0.650 nan 8.310 nan 0.000 0.553 463 N N 0.818 119.451 118.700 -0.112 0.000 2.415 463 N HA 0.128 4.868 4.740 -0.001 0.000 0.248 463 N C 0.019 175.555 175.510 0.043 0.000 1.271 463 N CA -0.400 52.668 53.050 0.030 0.000 0.913 463 N CB 0.130 38.672 38.487 0.092 0.000 1.129 463 N HN 0.532 nan 8.380 nan 0.000 0.444 464 K N -0.177 120.266 120.400 0.072 0.000 3.445 464 K HA -0.316 4.003 4.320 -0.001 0.000 0.316 464 K C 0.017 176.662 176.600 0.075 0.000 1.278 464 K CA 0.974 57.311 56.287 0.082 0.000 0.976 464 K CB -1.681 30.874 32.500 0.093 0.000 1.238 464 K HN 0.945 nan 8.250 nan 0.000 0.430 465 A N 0.124 122.978 122.820 0.056 0.000 2.667 465 A HA -0.285 4.035 4.320 -0.001 0.000 0.298 465 A C 0.968 178.618 177.584 0.110 0.000 1.483 465 A CA 2.017 54.125 52.037 0.118 0.000 0.738 465 A CB -1.540 17.445 19.000 -0.025 0.000 1.067 465 A HN 0.539 nan 8.150 nan 0.000 0.451 466 K N -1.801 118.598 120.400 -0.002 0.000 2.367 466 K HA 0.342 4.662 4.320 -0.001 0.000 0.194 466 K C -0.229 176.043 176.600 -0.547 0.000 1.027 466 K CA 0.809 56.977 56.287 -0.198 0.000 1.075 466 K CB 0.424 32.822 32.500 -0.171 0.000 0.845 466 K HN 0.694 nan 8.250 nan 0.000 0.529 467 Y N -0.535 119.725 120.300 -0.068 0.000 2.609 467 Y HA 0.321 4.870 4.550 -0.001 0.000 0.336 467 Y C -1.103 174.643 175.900 -0.256 0.000 1.129 467 Y CA -1.674 56.355 58.100 -0.119 0.000 1.040 467 Y CB 1.644 40.056 38.460 -0.080 0.000 1.310 467 Y HN -0.034 nan 8.280 nan 0.000 0.460 468 Y N -1.003 119.190 120.300 -0.179 0.000 2.558 468 Y HA 0.505 5.054 4.550 -0.001 0.000 0.333 468 Y C -1.308 174.590 175.900 -0.002 0.000 1.125 468 Y CA -1.546 56.327 58.100 -0.378 0.000 1.039 468 Y CB 1.373 38.971 38.460 -1.437 0.000 1.331 468 Y HN 0.614 nan 8.280 nan 0.000 0.456 469 Q N 3.206 123.136 119.800 0.216 0.000 2.241 469 Q HA 0.610 4.949 4.340 -0.001 0.000 0.254 469 Q C -1.798 174.256 176.000 0.091 0.000 0.917 469 Q CA -0.728 55.145 55.803 0.116 0.000 0.919 469 Q CB 1.384 30.195 28.738 0.123 0.000 1.237 469 Q HN 0.953 nan 8.270 nan 0.000 0.434 470 L N 4.425 125.666 121.223 0.030 0.000 2.313 470 L HA 0.545 4.884 4.340 -0.001 0.000 0.283 470 L C -0.479 176.373 176.870 -0.031 0.000 1.013 470 L CA -0.641 54.214 54.840 0.025 0.000 0.816 470 L CB 1.608 43.606 42.059 -0.102 0.000 1.236 470 L HN 0.661 nan 8.230 nan 0.000 0.419 471 R N 2.587 123.046 120.500 -0.068 0.000 2.343 471 R HA 0.376 4.715 4.340 -0.001 0.000 0.320 471 R C -0.918 174.999 176.300 -0.638 0.000 0.956 471 R CA -0.489 55.254 56.100 -0.596 0.000 0.836 471 R CB 1.808 31.817 30.300 -0.485 0.000 1.151 471 R HN 0.559 nan 8.270 nan 0.000 0.450 472 c N 4.621 122.663 118.600 -0.929 0.000 2.281 472 c HA 0.510 5.079 4.570 -0.001 0.000 0.325 472 c C 0.382 173.998 174.090 -0.789 0.000 1.282 472 c CA -0.608 55.200 56.329 -0.868 0.000 1.640 472 c CB -0.569 41.501 42.510 -0.734 0.000 2.288 472 c HN 0.959 nan 8.230 nan 0.000 0.507 473 F N 4.096 123.941 119.950 -0.174 0.000 2.704 473 F HA 0.498 5.024 4.527 -0.001 0.000 0.304 473 F C 1.442 177.230 175.800 -0.020 0.000 1.094 473 F CA 0.593 58.561 58.000 -0.054 0.000 1.275 473 F CB 0.214 39.192 39.000 -0.037 0.000 1.073 473 F HN 0.972 nan 8.300 nan 0.000 0.586 474 G N -0.070 108.775 108.800 0.074 0.000 2.315 474 G HA2 0.186 4.145 3.960 -0.001 0.000 0.294 474 G HA3 0.186 4.145 3.960 -0.001 0.000 0.294 474 G C -2.509 172.409 174.900 0.031 0.000 1.300 474 G CA -0.608 44.540 45.100 0.079 0.000 0.843 474 G HN -0.331 nan 8.290 nan 0.000 0.527 475 P HA 0.113 nan 4.420 nan 0.000 0.229 475 P C 1.331 178.682 177.300 0.085 0.000 1.160 475 P CA 1.309 64.463 63.100 0.089 0.000 0.777 475 P CB 0.237 31.979 31.700 0.071 0.000 0.814 476 G N 0.513 109.301 108.800 -0.019 0.000 2.553 476 G HA2 0.323 4.282 3.960 -0.001 0.000 0.278 476 G HA3 0.323 4.282 3.960 -0.001 0.000 0.278 476 G C -0.079 174.640 174.900 -0.303 0.000 1.349 476 G CA -0.673 44.348 45.100 -0.132 0.000 1.037 476 G HN 0.040 nan 8.290 nan 0.000 0.508 477 L N 0.813 121.769 121.223 -0.445 0.000 2.461 477 L HA 0.145 4.484 4.340 -0.001 0.000 0.272 477 L C -1.886 174.844 176.870 -0.233 0.000 1.197 477 L CA -1.258 53.252 54.840 -0.549 0.000 0.836 477 L CB 0.619 42.438 42.059 -0.400 0.000 1.105 477 L HN 0.235 nan 8.230 nan 0.000 0.477 478 P HA 0.022 nan 4.420 nan 0.000 0.263 478 P C -0.910 176.380 177.300 -0.017 0.000 1.195 478 P CA 0.070 63.155 63.100 -0.026 0.000 0.762 478 P CB 0.524 32.351 31.700 0.213 0.000 0.799 479 L N 6.042 127.150 121.223 -0.191 0.000 2.376 479 L HA 0.493 4.832 4.340 -0.001 0.000 0.275 479 L C -1.673 175.063 176.870 -0.224 0.000 0.987 479 L CA -0.661 54.123 54.840 -0.094 0.000 0.828 479 L CB 0.724 42.725 42.059 -0.095 0.000 1.249 479 L HN 0.197 nan 8.230 nan 0.000 0.409 480 Y N 2.936 123.170 120.300 -0.111 0.000 2.331 480 Y HA 0.753 5.303 4.550 -0.001 0.000 0.338 480 Y C 0.600 176.408 175.900 -0.153 0.000 0.992 480 Y CA -0.584 57.445 58.100 -0.118 0.000 1.121 480 Y CB 1.933 40.324 38.460 -0.114 0.000 1.184 480 Y HN 0.706 nan 8.280 nan 0.000 0.469 481 T N 1.320 115.878 114.554 0.008 0.000 2.883 481 T HA 0.645 4.994 4.350 -0.001 0.000 0.296 481 T C -1.557 173.139 174.700 -0.007 0.000 1.117 481 T CA -0.953 61.129 62.100 -0.030 0.000 1.006 481 T CB 1.822 70.723 68.868 0.055 0.000 1.191 481 T HN 0.547 nan 8.240 nan 0.000 0.508 482 L N 1.892 123.036 121.223 -0.132 0.000 2.322 482 L HA 0.624 4.963 4.340 -0.001 0.000 0.281 482 L C -1.196 175.523 176.870 -0.253 0.000 1.014 482 L CA -0.474 54.308 54.840 -0.097 0.000 0.815 482 L CB 1.239 43.234 42.059 -0.106 0.000 1.247 482 L HN 0.928 nan 8.230 nan 0.000 0.421 483 H N 1.438 120.264 119.070 -0.406 0.000 2.824 483 H HA 0.509 5.064 4.556 -0.001 0.000 0.345 483 H C -0.794 174.357 175.328 -0.295 0.000 1.252 483 H CA -0.461 55.273 56.048 -0.524 0.000 1.246 483 H CB 1.861 30.952 29.762 -1.120 0.000 1.908 483 H HN 0.475 nan 8.280 nan 0.000 0.601 484 S N -0.621 115.032 115.700 -0.078 0.000 2.473 484 S HA 0.302 4.771 4.470 -0.001 0.000 0.307 484 S C 0.402 175.013 174.600 0.020 0.000 1.094 484 S CA -0.568 57.598 58.200 -0.056 0.000 1.070 484 S CB 0.971 64.171 63.200 0.001 0.000 1.019 484 S HN 0.597 nan 8.310 nan 0.000 0.480 485 S N 2.846 118.527 115.700 -0.032 0.000 2.414 485 S HA -0.071 4.398 4.470 -0.001 0.000 0.227 485 S C 2.096 176.721 174.600 0.041 0.000 1.022 485 S CA 1.265 59.542 58.200 0.128 0.000 0.958 485 S CB -0.228 63.032 63.200 0.101 0.000 0.797 485 S HN 0.890 nan 8.310 nan 0.000 0.493 486 S N 2.148 117.823 115.700 -0.042 0.000 2.362 486 S HA -0.038 4.431 4.470 -0.001 0.000 0.221 486 S C 1.780 176.381 174.600 0.001 0.000 1.032 486 S CA 1.076 59.268 58.200 -0.013 0.000 0.973 486 S CB -0.502 62.682 63.200 -0.027 0.000 0.849 486 S HN 0.538 nan 8.310 nan 0.000 0.465 487 S N 0.331 116.031 115.700 0.000 0.000 2.557 487 S HA 0.223 4.693 4.470 -0.001 0.000 0.223 487 S C 0.078 174.691 174.600 0.021 0.000 0.969 487 S CA 0.152 58.360 58.200 0.013 0.000 0.927 487 S CB -0.336 62.874 63.200 0.017 0.000 0.806 487 S HN 0.270 nan 8.310 nan 0.000 0.489 488 D N 1.225 121.652 120.400 0.045 0.000 3.027 488 D HA -0.166 4.473 4.640 -0.001 0.000 0.224 488 D C -0.010 176.334 176.300 0.073 0.000 1.193 488 D CA 1.286 55.337 54.000 0.086 0.000 0.858 488 D CB -0.904 39.926 40.800 0.049 0.000 1.104 488 D HN 0.621 nan 8.370 nan 0.000 0.406 489 K N 0.230 120.640 120.400 0.017 0.000 2.107 489 K HA 0.248 4.567 4.320 -0.001 0.000 0.251 489 K C 0.660 177.156 176.600 -0.173 0.000 1.012 489 K CA -0.422 55.841 56.287 -0.040 0.000 0.920 489 K CB 0.946 33.425 32.500 -0.034 0.000 1.033 489 K HN 0.024 nan 8.250 nan 0.000 0.478 490 E N 3.152 123.183 120.200 -0.281 0.000 1.993 490 E HA 0.022 4.371 4.350 -0.001 0.000 0.271 490 E C 0.548 176.952 176.600 -0.326 0.000 1.008 490 E CA -0.355 55.695 56.400 -0.583 0.000 0.814 490 E CB 0.329 29.726 29.700 -0.504 0.000 1.098 490 E HN 0.412 nan 8.360 nan 0.000 0.407 491 L N 3.854 124.914 121.223 -0.272 0.000 2.131 491 L HA -0.069 4.271 4.340 -0.001 0.000 0.210 491 L C 1.112 177.904 176.870 -0.130 0.000 1.092 491 L CA 1.611 56.375 54.840 -0.126 0.000 0.759 491 L CB -1.722 40.312 42.059 -0.042 0.000 0.903 491 L HN 0.675 nan 8.230 nan 0.000 0.435 492 R N -2.907 117.477 120.500 -0.193 0.000 2.829 492 R HA 0.470 4.809 4.340 -0.001 0.000 0.283 492 R C -1.646 174.536 176.300 -0.197 0.000 1.013 492 R CA -0.825 55.177 56.100 -0.164 0.000 0.848 492 R CB 1.235 31.460 30.300 -0.125 0.000 1.291 492 R HN -0.284 nan 8.270 nan 0.000 0.496 493 V N 2.681 122.490 119.914 -0.174 0.000 2.347 493 V HA 0.266 4.385 4.120 -0.001 0.000 0.280 493 V C 1.049 176.980 176.094 -0.273 0.000 1.021 493 V CA -0.614 61.579 62.300 -0.177 0.000 0.847 493 V CB 1.257 33.010 31.823 -0.117 0.000 0.990 493 V HN 0.651 nan 8.190 nan 0.000 0.444 494 L N 2.436 123.417 121.223 -0.403 0.000 2.354 494 L HA 0.370 4.709 4.340 -0.001 0.000 0.212 494 L C 0.624 177.183 176.870 -0.518 0.000 1.091 494 L CA 0.573 54.920 54.840 -0.822 0.000 0.828 494 L CB 0.216 41.371 42.059 -1.506 0.000 0.973 494 L HN 0.685 nan 8.230 nan 0.000 0.461 495 E N 0.132 120.202 120.200 -0.217 0.000 2.647 495 E HA 0.075 4.424 4.350 -0.001 0.000 0.320 495 E C -1.285 175.332 176.600 0.028 0.000 0.951 495 E CA -0.304 56.053 56.400 -0.072 0.000 0.809 495 E CB 0.960 30.611 29.700 -0.083 0.000 1.295 495 E HN 0.169 nan 8.360 nan 0.000 0.407 496 D N 2.848 123.247 120.400 -0.003 0.000 2.469 496 D HA 0.177 4.816 4.640 -0.001 0.000 0.213 496 D C -0.177 176.119 176.300 -0.006 0.000 1.135 496 D CA -0.198 53.802 54.000 -0.000 0.000 0.834 496 D CB 0.038 40.823 40.800 -0.025 0.000 1.009 496 D HN 0.446 nan 8.370 nan 0.000 0.507 497 N N 0.434 119.134 118.700 0.000 0.000 2.708 497 N HA -0.228 4.511 4.740 -0.001 0.000 0.249 497 N C 0.872 176.374 175.510 -0.014 0.000 1.097 497 N CA 0.932 53.980 53.050 -0.004 0.000 0.710 497 N CB -1.230 37.261 38.487 0.006 0.000 1.032 497 N HN 0.467 nan 8.380 nan 0.000 0.551 498 S N -0.668 115.022 115.700 -0.017 0.000 2.387 498 S HA -0.158 4.312 4.470 -0.001 0.000 0.230 498 S C 2.159 176.756 174.600 -0.004 0.000 1.035 498 S CA 1.198 59.389 58.200 -0.015 0.000 1.014 498 S CB -0.297 62.893 63.200 -0.016 0.000 0.836 498 S HN 0.565 nan 8.310 nan 0.000 0.466 499 A N 1.952 124.770 122.820 -0.004 0.000 1.917 499 A HA -0.078 4.242 4.320 -0.001 0.000 0.219 499 A C 2.229 179.824 177.584 0.020 0.000 1.182 499 A CA 1.845 53.882 52.037 -0.000 0.000 0.633 499 A CB -0.894 18.100 19.000 -0.011 0.000 0.819 499 A HN 0.493 nan 8.150 nan 0.000 0.448 500 L N 0.039 121.284 121.223 0.037 0.000 2.109 500 L HA -0.116 4.223 4.340 -0.001 0.000 0.207 500 L C 1.976 178.899 176.870 0.089 0.000 1.086 500 L CA 2.328 57.224 54.840 0.092 0.000 0.760 500 L CB -0.633 41.493 42.059 0.111 0.000 0.910 500 L HN 0.509 nan 8.230 nan 0.000 0.437 501 D N -0.370 120.049 120.400 0.032 0.000 2.103 501 D HA -0.260 4.379 4.640 -0.001 0.000 0.190 501 D C 2.020 178.350 176.300 0.049 0.000 0.997 501 D CA 1.535 55.547 54.000 0.020 0.000 0.833 501 D CB 0.181 40.976 40.800 -0.008 0.000 0.961 501 D HN 0.346 nan 8.370 nan 0.000 0.447 502 K N 0.001 120.424 120.400 0.038 0.000 1.987 502 K HA -0.203 4.116 4.320 -0.001 0.000 0.216 502 K C 2.340 178.982 176.600 0.070 0.000 1.051 502 K CA 1.397 57.709 56.287 0.041 0.000 0.942 502 K CB -0.359 32.154 32.500 0.021 0.000 0.722 502 K HN 0.140 nan 8.250 nan 0.000 0.444 503 M N 0.886 120.528 119.600 0.070 0.000 2.192 503 M HA -0.217 4.263 4.480 -0.001 0.000 0.256 503 M C 1.572 178.026 176.300 0.258 0.000 1.076 503 M CA 1.591 56.944 55.300 0.088 0.000 1.075 503 M CB 0.017 32.628 32.600 0.018 0.000 1.368 503 M HN 0.130 nan 8.290 nan 0.000 0.406 504 L N -0.632 120.753 121.223 0.269 0.000 2.529 504 L HA -0.037 4.303 4.340 -0.001 0.000 0.223 504 L C 2.259 179.238 176.870 0.183 0.000 1.113 504 L CA 0.301 55.319 54.840 0.296 0.000 0.861 504 L CB -0.408 41.789 42.059 0.231 0.000 1.012 504 L HN 0.470 nan 8.230 nan 0.000 0.461 505 Q N -0.907 118.972 119.800 0.132 0.000 2.482 505 Q HA -0.153 4.187 4.340 -0.001 0.000 0.209 505 Q C 0.965 177.026 176.000 0.102 0.000 0.961 505 Q CA 0.810 56.670 55.803 0.096 0.000 0.945 505 Q CB -0.045 28.733 28.738 0.067 0.000 1.012 505 Q HN 0.363 nan 8.270 nan 0.000 0.515 506 D N 1.103 121.582 120.400 0.132 0.000 2.389 506 D HA 0.026 4.666 4.640 -0.001 0.000 0.206 506 D C 0.296 176.681 176.300 0.142 0.000 1.055 506 D CA 0.176 54.251 54.000 0.124 0.000 0.856 506 D CB 1.070 41.942 40.800 0.121 0.000 0.957 506 D HN 0.216 nan 8.370 nan 0.000 0.509 507 V N -0.694 119.320 119.914 0.166 0.000 2.881 507 V HA 0.481 4.600 4.120 -0.001 0.000 0.316 507 V C -0.639 175.506 176.094 0.086 0.000 1.070 507 V CA -0.769 61.617 62.300 0.144 0.000 0.976 507 V CB 1.916 33.851 31.823 0.187 0.000 1.038 507 V HN -0.143 nan 8.190 nan 0.000 0.446 508 Q N 4.119 123.947 119.800 0.048 0.000 2.566 508 Q HA 0.401 4.740 4.340 -0.001 0.000 0.221 508 Q C -0.424 175.558 176.000 -0.031 0.000 1.195 508 Q CA -0.404 55.392 55.803 -0.011 0.000 0.967 508 Q CB 0.820 29.503 28.738 -0.093 0.000 1.337 508 Q HN 0.657 nan 8.270 nan 0.000 0.553 509 M N 3.090 122.679 119.600 -0.019 0.000 2.198 509 M HA 0.318 4.797 4.480 -0.001 0.000 0.315 509 M C -1.886 174.371 176.300 -0.072 0.000 1.134 509 M CA -1.961 53.306 55.300 -0.055 0.000 1.171 509 M CB -0.338 32.240 32.600 -0.036 0.000 1.413 509 M HN 0.321 nan 8.290 nan 0.000 0.467 510 P HA 0.315 nan 4.420 nan 0.000 0.297 510 P C -1.244 175.996 177.300 -0.099 0.000 1.307 510 P CA -0.465 62.561 63.100 -0.124 0.000 0.773 510 P CB 0.786 32.385 31.700 -0.168 0.000 1.265 511 S N -1.612 114.015 115.700 -0.121 0.000 2.561 511 S HA 0.459 4.928 4.470 -0.001 0.000 0.303 511 S C -0.483 174.046 174.600 -0.120 0.000 1.110 511 S CA -0.877 57.269 58.200 -0.091 0.000 1.034 511 S CB 1.540 64.699 63.200 -0.070 0.000 1.010 511 S HN 0.424 nan 8.310 nan 0.000 0.482 512 K N 2.055 122.411 120.400 -0.074 0.000 2.172 512 K HA 0.393 4.712 4.320 -0.001 0.000 0.276 512 K C -0.829 175.743 176.600 -0.045 0.000 1.013 512 K CA -0.461 55.786 56.287 -0.066 0.000 0.913 512 K CB 0.724 33.202 32.500 -0.037 0.000 1.055 512 K HN 0.747 nan 8.250 nan 0.000 0.461 513 K N 5.163 125.533 120.400 -0.050 0.000 2.535 513 K HA 0.261 4.581 4.320 -0.001 0.000 0.250 513 K C -1.626 174.954 176.600 -0.034 0.000 0.948 513 K CA -0.764 55.503 56.287 -0.033 0.000 0.796 513 K CB 0.963 33.430 32.500 -0.056 0.000 1.216 513 K HN 0.391 nan 8.250 nan 0.000 0.432 514 L N 3.381 124.608 121.223 0.006 0.000 2.307 514 L HA 0.472 4.811 4.340 -0.001 0.000 0.282 514 L C 0.220 177.062 176.870 -0.047 0.000 1.051 514 L CA 0.117 54.977 54.840 0.033 0.000 0.804 514 L CB 1.291 43.474 42.059 0.207 0.000 1.197 514 L HN 0.762 nan 8.230 nan 0.000 0.431 515 D N 0.855 121.041 120.400 -0.356 0.000 3.158 515 D HA 0.670 5.309 4.640 -0.001 0.000 0.314 515 D C -1.582 174.389 176.300 -0.548 0.000 1.308 515 D CA -0.174 53.554 54.000 -0.453 0.000 1.001 515 D CB 2.014 42.525 40.800 -0.482 0.000 1.389 515 D HN 0.154 nan 8.370 nan 0.000 0.595 516 V N 0.622 120.353 119.914 -0.305 0.000 3.178 516 V HA 0.595 4.714 4.120 -0.001 0.000 0.302 516 V C -0.749 175.474 176.094 0.214 0.000 1.262 516 V CA -0.686 61.514 62.300 -0.167 0.000 1.030 516 V CB 2.412 33.888 31.823 -0.579 0.000 1.074 516 V HN 0.569 nan 8.190 nan 0.000 0.438 517 I N 0.214 120.939 120.570 0.258 0.000 3.191 517 I HA 0.721 4.891 4.170 -0.001 0.000 0.313 517 I C -1.342 174.858 176.117 0.138 0.000 1.193 517 I CA -0.874 60.537 61.300 0.185 0.000 0.968 517 I CB 2.841 40.908 38.000 0.111 0.000 1.262 517 I HN 0.526 nan 8.210 nan 0.000 0.456 518 N N 2.856 121.586 118.700 0.051 0.000 2.362 518 N HA 0.821 5.561 4.740 -0.001 0.000 0.298 518 N C -1.555 173.944 175.510 -0.019 0.000 1.048 518 N CA -0.466 52.603 53.050 0.031 0.000 0.858 518 N CB 2.114 40.590 38.487 -0.019 0.000 1.218 518 N HN 0.498 nan 8.380 nan 0.000 0.488 519 L N 2.219 123.436 121.223 -0.009 0.000 2.493 519 L HA 0.402 4.741 4.340 -0.001 0.000 0.265 519 L C -0.566 176.035 176.870 -0.449 0.000 0.954 519 L CA -0.846 53.754 54.840 -0.400 0.000 0.844 519 L CB 1.731 43.506 42.059 -0.473 0.000 1.302 519 L HN 0.756 nan 8.230 nan 0.000 0.405 520 H N 1.305 120.433 119.070 0.096 0.000 2.861 520 H HA -0.212 4.344 4.556 -0.001 0.000 0.289 520 H C 1.203 176.560 175.328 0.049 0.000 1.176 520 H CA 0.990 57.075 56.048 0.061 0.000 1.146 520 H CB -1.618 28.187 29.762 0.072 0.000 1.330 520 H HN 1.139 nan 8.280 nan 0.000 0.379 521 G N -1.208 107.620 108.800 0.046 0.000 2.267 521 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.257 521 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.257 521 G C 0.452 175.349 174.900 -0.004 0.000 0.998 521 G CA 0.689 45.802 45.100 0.022 0.000 0.620 521 G HN 0.692 nan 8.290 nan 0.000 0.529 522 T N 1.956 116.514 114.554 0.007 0.000 2.907 522 T HA 0.543 4.892 4.350 -0.001 0.000 0.284 522 T C 0.263 174.795 174.700 -0.280 0.000 1.004 522 T CA 0.005 62.004 62.100 -0.169 0.000 1.063 522 T CB 1.402 70.104 68.868 -0.278 0.000 0.992 522 T HN 0.615 nan 8.240 nan 0.000 0.483 523 K N 2.274 122.458 120.400 -0.360 0.000 2.211 523 K HA 0.597 4.916 4.320 -0.001 0.000 0.275 523 K C -1.324 175.025 176.600 -0.419 0.000 1.024 523 K CA -0.573 55.557 56.287 -0.262 0.000 0.887 523 K CB 0.756 33.136 32.500 -0.201 0.000 1.084 523 K HN 0.354 nan 8.250 nan 0.000 0.463 524 F N 1.259 121.296 119.950 0.144 0.000 2.561 524 F HA 0.433 4.959 4.527 -0.001 0.000 0.321 524 F C -0.561 175.384 175.800 0.241 0.000 1.065 524 F CA -0.878 57.251 58.000 0.215 0.000 0.934 524 F CB 1.205 40.299 39.000 0.156 0.000 1.215 524 F HN 0.487 nan 8.300 nan 0.000 0.471 525 W N 2.128 123.630 121.300 0.337 0.000 2.381 525 W HA 0.519 5.178 4.660 -0.001 0.000 0.329 525 W C -0.586 176.192 176.519 0.432 0.000 1.157 525 W CA -0.668 56.852 57.345 0.293 0.000 1.240 525 W CB 0.472 30.026 29.460 0.156 0.000 1.199 525 W HN 0.434 nan 8.180 nan 0.000 0.579 526 Y N -0.517 120.154 120.300 0.618 0.000 2.705 526 Y HA 0.758 5.308 4.550 -0.001 0.000 0.332 526 Y C -0.837 175.294 175.900 0.386 0.000 1.157 526 Y CA -1.839 56.614 58.100 0.588 0.000 1.091 526 Y CB 1.209 40.166 38.460 0.828 0.000 1.301 526 Y HN 0.543 nan 8.280 nan 0.000 0.488 527 Q N 1.116 121.191 119.800 0.459 0.000 2.482 527 Q HA 0.716 5.055 4.340 -0.001 0.000 0.286 527 Q C -2.004 174.120 176.000 0.207 0.000 1.007 527 Q CA -1.149 54.777 55.803 0.205 0.000 0.801 527 Q CB 3.143 31.966 28.738 0.142 0.000 1.455 527 Q HN 0.857 nan 8.270 nan 0.000 0.398 528 M N 2.124 121.760 119.600 0.061 0.000 2.326 528 M HA 0.457 4.936 4.480 -0.001 0.000 0.292 528 M C -1.221 175.001 176.300 -0.131 0.000 1.081 528 M CA -0.970 54.295 55.300 -0.058 0.000 0.919 528 M CB 2.278 34.801 32.600 -0.130 0.000 1.634 528 M HN 0.579 nan 8.290 nan 0.000 0.451 529 I N 4.378 124.860 120.570 -0.146 0.000 2.325 529 I HA 0.377 4.546 4.170 -0.001 0.000 0.291 529 I C -0.437 175.508 176.117 -0.287 0.000 1.019 529 I CA -0.330 60.863 61.300 -0.179 0.000 1.302 529 I CB 0.440 38.351 38.000 -0.150 0.000 1.401 529 I HN 0.649 nan 8.210 nan 0.000 0.485 530 L N 8.438 129.456 121.223 -0.342 0.000 2.282 530 L HA 0.427 4.766 4.340 -0.001 0.000 0.288 530 L C -2.170 174.486 176.870 -0.357 0.000 1.033 530 L CA -1.688 52.839 54.840 -0.522 0.000 0.807 530 L CB 1.540 43.181 42.059 -0.697 0.000 1.209 530 L HN 0.288 nan 8.230 nan 0.000 0.423 531 P HA 0.030 nan 4.420 nan 0.000 0.269 531 P C -2.509 174.738 177.300 -0.088 0.000 1.211 531 P CA -0.801 62.191 63.100 -0.180 0.000 0.781 531 P CB -0.146 31.481 31.700 -0.121 0.000 0.877 532 P HA -0.005 nan 4.420 nan 0.000 0.267 532 P C -0.560 176.691 177.300 -0.083 0.000 1.209 532 P CA 0.610 63.616 63.100 -0.157 0.000 0.763 532 P CB -0.435 31.078 31.700 -0.312 0.000 0.816 533 H N 0.036 119.147 119.070 0.068 0.000 2.826 533 H HA -0.207 4.348 4.556 -0.001 0.000 0.306 533 H C -0.008 175.389 175.328 0.115 0.000 1.235 533 H CA -0.709 55.383 56.048 0.072 0.000 1.150 533 H CB -1.967 27.830 29.762 0.059 0.000 1.409 533 H HN 0.369 nan 8.280 nan 0.000 0.420 534 F N 2.969 122.935 119.950 0.026 0.000 2.350 534 F HA -0.131 4.395 4.527 -0.001 0.000 0.420 534 F C 1.035 176.855 175.800 0.033 0.000 0.939 534 F CA 0.573 58.516 58.000 -0.096 0.000 1.066 534 F CB 0.038 38.896 39.000 -0.237 0.000 0.876 534 F HN 0.224 nan 8.300 nan 0.000 0.515 535 D N 4.271 124.677 120.400 0.011 0.000 1.264 535 D HA -0.147 4.492 4.640 -0.001 0.000 0.327 535 D C 1.590 177.568 176.300 -0.536 0.000 1.504 535 D CA 2.942 56.886 54.000 -0.093 0.000 1.215 535 D CB 0.172 41.063 40.800 0.152 0.000 2.406 535 D HN 0.683 nan 8.370 nan 0.000 0.741 536 K N -3.406 116.738 120.400 -0.427 0.000 1.927 536 K HA -0.006 4.313 4.320 -0.001 0.000 0.127 536 K C 1.391 177.944 176.600 -0.078 0.000 2.420 536 K CA 0.436 56.473 56.287 -0.416 0.000 1.187 536 K CB -0.503 31.845 32.500 -0.253 0.000 2.694 536 K HN 0.193 nan 8.250 nan 0.000 0.406 537 S N 0.652 116.331 115.700 -0.035 0.000 2.506 537 S HA 0.195 4.664 4.470 -0.001 0.000 0.219 537 S C 0.507 175.119 174.600 0.020 0.000 1.031 537 S CA -0.040 58.171 58.200 0.018 0.000 0.911 537 S CB 0.182 63.377 63.200 -0.009 0.000 0.812 537 S HN 0.309 nan 8.310 nan 0.000 0.497 538 K N 2.071 122.462 120.400 -0.015 0.000 2.414 538 K HA 0.056 4.375 4.320 -0.001 0.000 0.272 538 K C -0.725 175.855 176.600 -0.033 0.000 0.993 538 K CA 0.314 56.547 56.287 -0.090 0.000 0.964 538 K CB 0.362 32.730 32.500 -0.221 0.000 0.925 538 K HN 0.127 nan 8.250 nan 0.000 0.487 539 K N 3.271 123.608 120.400 -0.105 0.000 2.211 539 K HA 0.175 4.494 4.320 -0.001 0.000 0.275 539 K C -1.086 175.435 176.600 -0.131 0.000 1.024 539 K CA -0.434 55.844 56.287 -0.016 0.000 0.887 539 K CB 0.778 33.254 32.500 -0.039 0.000 1.084 539 K HN 0.377 nan 8.250 nan 0.000 0.463 540 Y N 2.791 123.138 120.300 0.078 0.000 2.457 540 Y HA 0.293 4.842 4.550 -0.001 0.000 0.333 540 Y C -1.980 173.866 175.900 -0.090 0.000 1.119 540 Y CA -2.509 55.603 58.100 0.021 0.000 1.143 540 Y CB 1.207 39.740 38.460 0.122 0.000 1.230 540 Y HN 0.472 nan 8.280 nan 0.000 0.469 541 P HA 0.196 nan 4.420 nan 0.000 0.286 541 P C -0.849 176.320 177.300 -0.218 0.000 1.269 541 P CA -0.117 62.729 63.100 -0.424 0.000 0.787 541 P CB 1.518 32.589 31.700 -1.049 0.000 0.920 542 L N 3.908 125.074 121.223 -0.095 0.000 2.399 542 L HA 0.499 4.839 4.340 -0.001 0.000 0.265 542 L C -0.228 176.809 176.870 0.279 0.000 1.089 542 L CA -1.012 53.878 54.840 0.083 0.000 0.802 542 L CB 1.234 43.345 42.059 0.088 0.000 1.180 542 L HN 0.274 nan 8.230 nan 0.000 0.454 543 L N 4.349 125.735 121.223 0.271 0.000 2.541 543 L HA 0.443 4.782 4.340 -0.001 0.000 0.266 543 L C -1.097 175.982 176.870 0.350 0.000 0.966 543 L CA -0.209 54.853 54.840 0.370 0.000 0.871 543 L CB 1.325 43.572 42.059 0.314 0.000 1.232 543 L HN 0.239 nan 8.230 nan 0.000 0.408 544 I N 3.478 124.306 120.570 0.431 0.000 2.371 544 I HA 0.325 4.494 4.170 -0.001 0.000 0.290 544 I C 0.344 176.702 176.117 0.402 0.000 1.028 544 I CA -0.015 61.529 61.300 0.407 0.000 1.345 544 I CB 1.206 39.492 38.000 0.477 0.000 1.407 544 I HN 0.737 nan 8.210 nan 0.000 0.501 545 E N 6.353 126.756 120.200 0.338 0.000 2.092 545 E HA 0.486 4.835 4.350 -0.001 0.000 0.271 545 E C -1.586 175.086 176.600 0.119 0.000 0.919 545 E CA -0.432 56.092 56.400 0.206 0.000 0.760 545 E CB 1.791 31.689 29.700 0.330 0.000 1.106 545 E HN 0.426 nan 8.360 nan 0.000 0.408 546 V N 5.534 125.463 119.914 0.025 0.000 2.769 546 V HA 0.355 4.474 4.120 -0.001 0.000 0.312 546 V C -1.096 175.085 176.094 0.145 0.000 1.061 546 V CA -0.343 62.027 62.300 0.116 0.000 0.931 546 V CB 1.620 33.521 31.823 0.131 0.000 1.010 546 V HN 0.900 nan 8.190 nan 0.000 0.433 547 Y N 4.995 125.344 120.300 0.080 0.000 2.886 547 Y HA 0.523 5.073 4.550 -0.001 0.000 0.244 547 Y C 1.605 177.603 175.900 0.163 0.000 1.017 547 Y CA 1.292 59.461 58.100 0.114 0.000 1.389 547 Y CB -0.102 38.403 38.460 0.075 0.000 1.477 547 Y HN 1.084 nan 8.280 nan 0.000 0.466 548 A N 0.878 123.673 122.820 -0.042 0.000 2.790 548 A HA -0.173 4.147 4.320 -0.001 0.000 0.277 548 A C 1.009 178.249 177.584 -0.574 0.000 1.435 548 A CA 1.029 52.978 52.037 -0.146 0.000 0.877 548 A CB -2.378 16.644 19.000 0.035 0.000 1.007 548 A HN 0.915 nan 8.150 nan 0.000 0.613 549 G N -0.467 107.593 108.800 -1.234 0.000 2.572 549 G HA2 0.514 4.473 3.960 -0.001 0.000 0.261 549 G HA3 0.514 4.473 3.960 -0.001 0.000 0.261 549 G C -1.831 172.643 174.900 -0.710 0.000 1.197 549 G CA -0.740 43.287 45.100 -1.788 0.000 0.870 549 G HN 0.393 nan 8.290 nan 0.000 0.548 550 P HA 0.008 nan 4.420 nan 0.000 0.265 550 P C 0.663 177.839 177.300 -0.207 0.000 1.193 550 P CA 0.231 63.068 63.100 -0.439 0.000 0.765 550 P CB 0.870 32.027 31.700 -0.905 0.000 0.823 551 C N 2.174 121.417 119.300 -0.095 0.000 4.397 551 C HA -0.141 4.318 4.460 -0.001 0.000 0.291 551 C C 1.044 176.106 174.990 0.121 0.000 1.408 551 C CA 1.117 60.065 59.018 -0.117 0.000 1.971 551 C CB -2.669 24.860 27.740 -0.351 0.000 1.258 551 C HN 0.839 nan 8.230 nan 0.000 0.795 552 S N -0.250 115.580 115.700 0.216 0.000 2.707 552 S HA 0.666 5.135 4.470 -0.001 0.000 0.276 552 S C -0.567 174.246 174.600 0.355 0.000 1.179 552 S CA 0.230 58.670 58.200 0.400 0.000 0.992 552 S CB 1.659 65.175 63.200 0.527 0.000 1.030 552 S HN 0.915 nan 8.310 nan 0.000 0.554 553 Q N -0.261 119.754 119.800 0.358 0.000 2.759 553 Q HA 0.292 4.631 4.340 -0.001 0.000 0.225 553 Q C -0.561 175.557 176.000 0.198 0.000 0.823 553 Q CA -0.561 55.415 55.803 0.288 0.000 0.828 553 Q CB 0.776 29.715 28.738 0.334 0.000 1.425 553 Q HN 0.618 nan 8.270 nan 0.000 0.449 554 K N 0.933 121.448 120.400 0.191 0.000 2.314 554 K HA 0.143 4.462 4.320 -0.001 0.000 0.198 554 K C 0.211 176.893 176.600 0.135 0.000 1.045 554 K CA 0.440 56.820 56.287 0.155 0.000 0.988 554 K CB 0.650 33.266 32.500 0.194 0.000 0.783 554 K HN 0.385 nan 8.250 nan 0.000 0.484 555 V N 3.824 123.832 119.914 0.155 0.000 2.364 555 V HA 0.135 4.254 4.120 -0.001 0.000 0.272 555 V C -0.266 175.878 176.094 0.083 0.000 1.036 555 V CA -0.621 61.768 62.300 0.149 0.000 0.880 555 V CB 0.928 32.889 31.823 0.229 0.000 0.991 555 V HN 0.320 nan 8.190 nan 0.000 0.460 556 D N 2.398 122.828 120.400 0.050 0.000 2.768 556 D HA 0.314 4.954 4.640 -0.001 0.000 0.327 556 D C 0.096 176.407 176.300 0.018 0.000 1.302 556 D CA -0.058 53.962 54.000 0.034 0.000 0.897 556 D CB 1.440 42.256 40.800 0.027 0.000 1.420 556 D HN 0.391 nan 8.370 nan 0.000 0.494 557 T N -1.975 112.611 114.554 0.054 0.000 3.275 557 T HA 0.466 4.816 4.350 -0.001 0.000 0.265 557 T C -0.071 174.631 174.700 0.003 0.000 0.978 557 T CA -0.447 61.685 62.100 0.053 0.000 0.923 557 T CB -0.722 68.209 68.868 0.106 0.000 1.126 557 T HN 0.303 nan 8.240 nan 0.000 0.538 558 V N 2.298 122.122 119.914 -0.149 0.000 2.567 558 V HA 0.462 4.582 4.120 -0.001 0.000 0.289 558 V C 0.018 176.102 176.094 -0.016 0.000 1.049 558 V CA -1.191 60.998 62.300 -0.185 0.000 0.969 558 V CB 0.740 32.291 31.823 -0.454 0.000 0.995 558 V HN 0.614 nan 8.190 nan 0.000 0.471 559 F N 5.859 125.778 119.950 -0.052 0.000 2.456 559 F HA 0.540 5.067 4.527 -0.001 0.000 0.358 559 F C 0.495 176.283 175.800 -0.020 0.000 1.095 559 F CA -0.228 57.755 58.000 -0.029 0.000 1.216 559 F CB 0.264 39.265 39.000 0.001 0.000 1.125 559 F HN 0.416 nan 8.300 nan 0.000 0.549 560 R N 6.692 126.724 120.500 -0.780 0.000 2.512 560 R HA 0.320 4.660 4.340 -0.001 0.000 0.291 560 R C -1.877 174.027 176.300 -0.660 0.000 1.097 560 R CA -1.125 54.638 56.100 -0.560 0.000 0.940 560 R CB 1.506 31.646 30.300 -0.265 0.000 1.198 560 R HN 0.447 nan 8.270 nan 0.000 0.429 561 L N 3.313 124.221 121.223 -0.525 0.000 2.363 561 L HA 0.253 4.592 4.340 -0.001 0.000 0.286 561 L C 0.384 177.177 176.870 -0.130 0.000 1.106 561 L CA 0.415 55.011 54.840 -0.406 0.000 0.859 561 L CB 0.408 42.397 42.059 -0.116 0.000 1.223 561 L HN 0.746 nan 8.230 nan 0.000 0.446 562 S N 1.862 117.403 115.700 -0.266 0.000 2.810 562 S HA 0.308 4.778 4.470 -0.001 0.000 0.315 562 S C 0.523 174.728 174.600 -0.658 0.000 1.138 562 S CA -0.729 57.271 58.200 -0.333 0.000 0.889 562 S CB 0.533 63.651 63.200 -0.136 0.000 1.236 562 S HN 0.523 nan 8.310 nan 0.000 0.548 563 W N 1.227 121.896 121.300 -1.052 0.000 2.374 563 W HA 0.067 4.726 4.660 -0.001 0.000 0.288 563 W C 2.321 178.737 176.519 -0.172 0.000 1.218 563 W CA 1.914 58.818 57.345 -0.735 0.000 1.245 563 W CB -0.964 28.258 29.460 -0.398 0.000 1.126 563 W HN 0.836 nan 8.180 nan 0.000 0.545 564 A N -0.428 122.297 122.820 -0.159 0.000 1.930 564 A HA -0.177 4.142 4.320 -0.001 0.000 0.217 564 A C 1.965 179.395 177.584 -0.257 0.000 1.175 564 A CA 2.365 54.257 52.037 -0.241 0.000 0.627 564 A CB -1.302 17.661 19.000 -0.062 0.000 0.815 564 A HN 0.273 nan 8.150 nan 0.000 0.443 565 T N -0.864 113.554 114.554 -0.227 0.000 2.624 565 T HA -0.275 4.074 4.350 -0.001 0.000 0.268 565 T C 1.817 176.459 174.700 -0.097 0.000 1.041 565 T CA 2.032 63.982 62.100 -0.251 0.000 1.159 565 T CB -0.587 67.980 68.868 -0.502 0.000 0.863 565 T HN 0.709 nan 8.240 nan 0.000 0.434 566 Y N 1.981 122.270 120.300 -0.019 0.000 2.181 566 Y HA -0.030 4.519 4.550 -0.001 0.000 0.288 566 Y C 1.972 177.810 175.900 -0.103 0.000 1.146 566 Y CA 0.942 59.077 58.100 0.058 0.000 1.164 566 Y CB -0.761 37.757 38.460 0.097 0.000 0.982 566 Y HN 0.151 nan 8.280 nan 0.000 0.515 567 L N 0.158 120.885 121.223 -0.826 0.000 2.131 567 L HA -0.186 4.153 4.340 -0.001 0.000 0.210 567 L C 2.744 179.335 176.870 -0.465 0.000 1.092 567 L CA 1.213 55.538 54.840 -0.860 0.000 0.759 567 L CB -0.828 40.773 42.059 -0.763 0.000 0.903 567 L HN 0.436 nan 8.230 nan 0.000 0.435 568 A N -1.410 121.212 122.820 -0.330 0.000 1.911 568 A HA -0.114 4.206 4.320 -0.001 0.000 0.212 568 A C 2.468 179.950 177.584 -0.170 0.000 1.189 568 A CA 1.344 53.246 52.037 -0.224 0.000 0.639 568 A CB -0.410 18.459 19.000 -0.219 0.000 0.839 568 A HN 0.290 nan 8.150 nan 0.000 0.449 569 S N -0.693 114.918 115.700 -0.148 0.000 2.335 569 S HA -0.126 4.344 4.470 -0.001 0.000 0.216 569 S C 2.064 176.631 174.600 -0.055 0.000 1.032 569 S CA 2.345 60.501 58.200 -0.074 0.000 1.000 569 S CB -0.542 62.665 63.200 0.011 0.000 0.928 569 S HN 0.551 nan 8.310 nan 0.000 0.434 570 T N 1.732 116.251 114.554 -0.059 0.000 2.852 570 T HA 0.117 4.467 4.350 -0.001 0.000 0.256 570 T C 1.572 176.220 174.700 -0.087 0.000 1.038 570 T CA 0.863 62.953 62.100 -0.016 0.000 1.141 570 T CB -0.223 68.739 68.868 0.158 0.000 0.869 570 T HN 0.356 nan 8.240 nan 0.000 0.439 571 E N 1.021 121.069 120.200 -0.252 0.000 2.442 571 E HA 0.115 4.464 4.350 -0.001 0.000 0.195 571 E C 0.162 176.716 176.600 -0.077 0.000 1.030 571 E CA 0.000 56.294 56.400 -0.178 0.000 0.869 571 E CB -0.295 29.223 29.700 -0.304 0.000 0.857 571 E HN 0.348 nan 8.360 nan 0.000 0.505 572 N N 0.292 118.953 118.700 -0.065 0.000 2.756 572 N HA -0.172 4.567 4.740 -0.001 0.000 0.248 572 N C -1.223 174.346 175.510 0.098 0.000 1.062 572 N CA 0.425 53.511 53.050 0.061 0.000 0.696 572 N CB -1.274 37.298 38.487 0.143 0.000 0.946 572 N HN 0.193 nan 8.380 nan 0.000 0.548 573 I N 0.449 120.999 120.570 -0.033 0.000 2.474 573 I HA 0.405 4.575 4.170 -0.001 0.000 0.294 573 I C 0.590 176.654 176.117 -0.089 0.000 1.005 573 I CA -0.905 60.383 61.300 -0.019 0.000 1.113 573 I CB 1.490 39.486 38.000 -0.006 0.000 1.289 573 I HN -0.002 nan 8.210 nan 0.000 0.436 574 I N 6.022 126.546 120.570 -0.076 0.000 2.474 574 I HA 0.216 4.385 4.170 -0.001 0.000 0.287 574 I C -0.486 175.590 176.117 -0.069 0.000 1.048 574 I CA -0.428 60.776 61.300 -0.160 0.000 1.383 574 I CB 1.284 39.181 38.000 -0.173 0.000 1.412 574 I HN 0.191 nan 8.210 nan 0.000 0.531 575 V N 6.483 126.347 119.914 -0.084 0.000 2.349 575 V HA 0.610 4.729 4.120 -0.001 0.000 0.284 575 V C 0.156 176.263 176.094 0.022 0.000 1.014 575 V CA -0.450 61.856 62.300 0.010 0.000 0.826 575 V CB 1.145 32.967 31.823 -0.003 0.000 1.009 575 V HN 0.838 nan 8.190 nan 0.000 0.431 576 A N 3.797 126.652 122.820 0.060 0.000 2.330 576 A HA 0.974 5.293 4.320 -0.001 0.000 0.329 576 A C -0.138 177.571 177.584 0.209 0.000 1.135 576 A CA -0.517 51.552 52.037 0.054 0.000 0.817 576 A CB 1.830 20.708 19.000 -0.203 0.000 1.269 576 A HN 0.656 nan 8.150 nan 0.000 0.469 577 S N -0.629 115.241 115.700 0.283 0.000 2.569 577 S HA 0.791 5.260 4.470 -0.001 0.000 0.280 577 S C -1.555 173.386 174.600 0.569 0.000 1.111 577 S CA -0.281 58.141 58.200 0.369 0.000 0.887 577 S CB 1.397 64.760 63.200 0.272 0.000 1.095 577 S HN 0.839 nan 8.310 nan 0.000 0.476 578 F N 1.578 121.746 119.950 0.364 0.000 2.581 578 F HA 0.521 5.047 4.527 -0.001 0.000 0.311 578 F C -1.819 174.157 175.800 0.293 0.000 1.113 578 F CA -0.777 57.463 58.000 0.400 0.000 0.935 578 F CB 1.593 40.822 39.000 0.382 0.000 1.232 578 F HN 0.387 nan 8.300 nan 0.000 0.445 579 D N 3.936 124.009 120.400 -0.546 0.000 2.414 579 D HA 0.518 5.157 4.640 -0.001 0.000 0.232 579 D C 0.119 175.911 176.300 -0.848 0.000 1.070 579 D CA 0.038 53.805 54.000 -0.389 0.000 0.839 579 D CB 1.726 42.529 40.800 0.004 0.000 1.079 579 D HN 0.812 nan 8.370 nan 0.000 0.521 580 G N 1.245 109.598 108.800 -0.746 0.000 3.122 580 G HA2 0.355 4.315 3.960 -0.001 0.000 0.180 580 G HA3 0.355 4.315 3.960 -0.001 0.000 0.180 580 G C -0.159 174.455 174.900 -0.476 0.000 1.279 580 G CA -0.758 43.754 45.100 -0.981 0.000 0.987 580 G HN 0.282 nan 8.290 nan 0.000 0.589 581 R N -0.418 119.847 120.500 -0.391 0.000 2.585 581 R HA 0.363 4.702 4.340 -0.001 0.000 0.275 581 R C 1.228 177.545 176.300 0.029 0.000 1.018 581 R CA 1.617 57.706 56.100 -0.019 0.000 1.072 581 R CB 0.454 30.792 30.300 0.063 0.000 0.953 581 R HN 1.111 nan 8.270 nan 0.000 0.419 582 G N 1.249 110.085 108.800 0.061 0.000 2.349 582 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.213 582 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.213 582 G C 0.133 175.028 174.900 -0.008 0.000 1.044 582 G CA 0.024 45.139 45.100 0.024 0.000 0.633 582 G HN 0.691 nan 8.290 nan 0.000 0.506 583 S N 0.611 116.312 115.700 0.003 0.000 2.587 583 S HA 0.591 5.060 4.470 -0.001 0.000 0.260 583 S C 0.825 175.427 174.600 0.003 0.000 1.353 583 S CA 0.495 58.711 58.200 0.027 0.000 0.995 583 S CB 1.529 64.772 63.200 0.072 0.000 0.912 583 S HN 1.747 nan 8.310 nan 0.000 0.568 584 G N -1.609 107.170 108.800 -0.034 0.000 2.932 584 G HA2 0.531 4.490 3.960 -0.001 0.000 0.283 584 G HA3 0.531 4.490 3.960 -0.001 0.000 0.283 584 G C -1.152 173.676 174.900 -0.119 0.000 1.336 584 G CA -1.076 43.875 45.100 -0.248 0.000 1.056 584 G HN 0.847 nan 8.290 nan 0.000 0.522 585 Y N -2.150 118.174 120.300 0.040 0.000 4.569 585 Y HA -0.198 4.351 4.550 -0.001 0.000 0.237 585 Y C 1.258 177.202 175.900 0.074 0.000 1.090 585 Y CA 0.966 59.098 58.100 0.054 0.000 2.052 585 Y CB -2.153 36.352 38.460 0.076 0.000 1.621 585 Y HN 0.528 nan 8.280 nan 0.000 0.682 586 Q N -0.285 119.579 119.800 0.108 0.000 2.023 586 Q HA 0.509 4.848 4.340 -0.001 0.000 0.211 586 Q C 0.755 176.677 176.000 -0.129 0.000 0.787 586 Q CA 0.203 56.094 55.803 0.147 0.000 1.035 586 Q CB 1.798 30.638 28.738 0.169 0.000 1.221 586 Q HN 0.604 nan 8.270 nan 0.000 0.443 587 G N 0.724 109.289 108.800 -0.393 0.000 2.650 587 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.686 587 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.686 587 G C -0.587 173.965 174.900 -0.581 0.000 1.205 587 G CA -0.674 43.915 45.100 -0.852 0.000 0.781 587 G HN 0.101 nan 8.290 nan 0.000 0.648 588 D N -0.079 119.937 120.400 -0.640 0.000 2.263 588 D HA -0.048 4.591 4.640 -0.001 0.000 0.208 588 D C 2.221 178.199 176.300 -0.536 0.000 0.971 588 D CA 1.337 54.875 54.000 -0.770 0.000 0.867 588 D CB 0.114 40.428 40.800 -0.809 0.000 0.929 588 D HN 0.578 nan 8.370 nan 0.000 0.492 589 K N 0.532 120.713 120.400 -0.365 0.000 2.026 589 K HA -0.107 4.212 4.320 -0.001 0.000 0.208 589 K C 1.874 178.415 176.600 -0.099 0.000 1.048 589 K CA 1.010 57.184 56.287 -0.189 0.000 0.929 589 K CB -0.091 32.320 32.500 -0.149 0.000 0.713 589 K HN 0.145 nan 8.250 nan 0.000 0.439 590 I N 0.489 121.003 120.570 -0.093 0.000 2.500 590 I HA -0.186 3.984 4.170 -0.001 0.000 0.252 590 I C 2.595 178.722 176.117 0.017 0.000 1.142 590 I CA 0.598 61.931 61.300 0.054 0.000 1.451 590 I CB -0.084 38.008 38.000 0.153 0.000 1.093 590 I HN 0.321 nan 8.210 nan 0.000 0.430 591 M N 0.272 119.798 119.600 -0.123 0.000 2.160 591 M HA -0.160 4.320 4.480 -0.001 0.000 0.264 591 M C 1.843 178.160 176.300 0.028 0.000 1.073 591 M CA 1.883 57.122 55.300 -0.102 0.000 1.142 591 M CB -0.220 32.220 32.600 -0.267 0.000 1.358 591 M HN 0.232 nan 8.290 nan 0.000 0.422 592 H N -0.444 118.507 119.070 -0.199 0.000 2.543 592 H HA 0.173 4.729 4.556 -0.001 0.000 0.269 592 H C 1.719 177.043 175.328 -0.006 0.000 1.005 592 H CA 0.055 55.993 56.048 -0.183 0.000 1.146 592 H CB 0.117 29.685 29.762 -0.323 0.000 1.353 592 H HN 0.514 nan 8.280 nan 0.000 0.595 593 A N 1.458 124.376 122.820 0.163 0.000 2.015 593 A HA -0.100 4.219 4.320 -0.001 0.000 0.219 593 A C 2.036 179.770 177.584 0.250 0.000 1.163 593 A CA 0.874 53.052 52.037 0.236 0.000 0.646 593 A CB -0.555 18.597 19.000 0.254 0.000 0.806 593 A HN 0.585 nan 8.150 nan 0.000 0.448 594 I N -3.335 117.319 120.570 0.139 0.000 3.904 594 I HA 0.166 4.335 4.170 -0.001 0.000 0.333 594 I C 0.340 176.439 176.117 -0.030 0.000 1.361 594 I CA -0.459 60.826 61.300 -0.025 0.000 1.116 594 I CB -0.634 37.337 38.000 -0.048 0.000 1.028 594 I HN 0.189 nan 8.210 nan 0.000 0.398 595 N N 2.975 121.723 118.700 0.081 0.000 2.357 595 N HA -0.071 4.668 4.740 -0.001 0.000 0.257 595 N C 0.183 175.644 175.510 -0.081 0.000 1.250 595 N CA 0.278 53.387 53.050 0.098 0.000 0.862 595 N CB 0.323 38.856 38.487 0.076 0.000 1.066 595 N HN 0.381 nan 8.380 nan 0.000 0.468 596 R N 0.364 120.796 120.500 -0.113 0.000 4.000 596 R HA -0.210 4.129 4.340 -0.001 0.000 0.348 596 R C -0.127 175.990 176.300 -0.304 0.000 1.204 596 R CA 1.600 57.572 56.100 -0.213 0.000 0.987 596 R CB -1.386 28.786 30.300 -0.213 0.000 1.446 596 R HN 0.774 nan 8.270 nan 0.000 0.555 597 R N -0.248 120.095 120.500 -0.261 0.000 2.579 597 R HA 0.249 4.589 4.340 -0.001 0.000 0.386 597 R C -0.287 175.915 176.300 -0.165 0.000 1.065 597 R CA -0.654 55.321 56.100 -0.209 0.000 1.143 597 R CB 0.138 30.239 30.300 -0.332 0.000 1.357 597 R HN -0.032 nan 8.270 nan 0.000 0.644 598 L N 0.760 121.873 121.223 -0.184 0.000 2.499 598 L HA 0.179 4.518 4.340 -0.001 0.000 0.281 598 L C 1.302 178.252 176.870 0.134 0.000 1.234 598 L CA 1.575 56.367 54.840 -0.079 0.000 0.839 598 L CB 0.302 42.177 42.059 -0.307 0.000 1.104 598 L HN 0.759 nan 8.230 nan 0.000 0.500 599 G N 0.249 109.200 108.800 0.251 0.000 2.175 599 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.244 599 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.244 599 G C 0.497 175.415 174.900 0.031 0.000 0.982 599 G CA 0.611 45.822 45.100 0.185 0.000 0.641 599 G HN 0.842 nan 8.290 nan 0.000 0.527 600 T N -2.702 111.836 114.554 -0.027 0.000 2.947 600 T HA 0.498 4.847 4.350 -0.001 0.000 0.180 600 T C 1.736 176.462 174.700 0.042 0.000 0.750 600 T CA 1.045 63.096 62.100 -0.082 0.000 1.687 600 T CB -0.243 68.428 68.868 -0.329 0.000 2.488 600 T HN 0.191 nan 8.240 nan 0.000 0.417 601 F N 3.533 123.496 119.950 0.023 0.000 2.087 601 F HA -0.034 4.492 4.527 -0.001 0.000 0.299 601 F C 2.812 178.615 175.800 0.006 0.000 1.100 601 F CA 1.383 59.378 58.000 -0.007 0.000 1.226 601 F CB -1.190 37.784 39.000 -0.044 0.000 0.983 601 F HN 0.570 nan 8.300 nan 0.000 0.479 602 E N 1.058 121.369 120.200 0.184 0.000 2.209 602 E HA -0.153 4.196 4.350 -0.001 0.000 0.196 602 E C 1.990 178.662 176.600 0.119 0.000 0.993 602 E CA 1.761 58.234 56.400 0.121 0.000 0.819 602 E CB -0.958 28.797 29.700 0.092 0.000 0.745 602 E HN 0.325 nan 8.360 nan 0.000 0.477 603 V N 1.347 121.318 119.914 0.094 0.000 2.331 603 V HA -0.135 3.984 4.120 -0.001 0.000 0.242 603 V C 2.349 178.486 176.094 0.071 0.000 1.034 603 V CA 1.688 64.012 62.300 0.040 0.000 1.027 603 V CB -0.600 31.199 31.823 -0.039 0.000 0.667 603 V HN 0.146 nan 8.190 nan 0.000 0.457 604 E N 0.456 120.719 120.200 0.105 0.000 2.118 604 E HA -0.252 4.097 4.350 -0.001 0.000 0.195 604 E C 1.878 178.552 176.600 0.123 0.000 0.992 604 E CA 1.563 58.034 56.400 0.118 0.000 0.804 604 E CB -0.182 29.619 29.700 0.168 0.000 0.741 604 E HN 0.557 nan 8.360 nan 0.000 0.458 605 D N 0.228 120.722 120.400 0.157 0.000 2.219 605 D HA -0.121 4.519 4.640 -0.001 0.000 0.205 605 D C 1.966 178.353 176.300 0.146 0.000 0.970 605 D CA 0.689 54.795 54.000 0.177 0.000 0.851 605 D CB -0.040 40.893 40.800 0.222 0.000 0.943 605 D HN 0.119 nan 8.370 nan 0.000 0.488 606 Q N 0.197 120.102 119.800 0.175 0.000 2.079 606 Q HA -0.040 4.299 4.340 -0.001 0.000 0.200 606 Q C 2.572 178.647 176.000 0.126 0.000 0.974 606 Q CA 0.545 56.460 55.803 0.186 0.000 0.840 606 Q CB -0.125 28.716 28.738 0.172 0.000 0.898 606 Q HN 0.419 nan 8.270 nan 0.000 0.430 607 I N 0.726 121.377 120.570 0.135 0.000 2.179 607 I HA -0.275 3.895 4.170 -0.001 0.000 0.242 607 I C 2.509 178.631 176.117 0.008 0.000 1.088 607 I CA 1.308 62.718 61.300 0.184 0.000 1.357 607 I CB -0.318 37.776 38.000 0.156 0.000 1.051 607 I HN 0.288 nan 8.210 nan 0.000 0.409 608 E N 1.249 121.411 120.200 -0.064 0.000 2.077 608 E HA -0.228 4.122 4.350 -0.001 0.000 0.193 608 E C 2.271 178.649 176.600 -0.370 0.000 0.989 608 E CA 1.269 57.570 56.400 -0.166 0.000 0.800 608 E CB -0.011 29.616 29.700 -0.121 0.000 0.746 608 E HN 0.480 nan 8.360 nan 0.000 0.452 609 A N 0.119 122.590 122.820 -0.581 0.000 1.930 609 A HA -0.127 4.192 4.320 -0.001 0.000 0.217 609 A C 2.324 179.222 177.584 -1.144 0.000 1.175 609 A CA 1.797 53.163 52.037 -1.119 0.000 0.627 609 A CB -0.729 17.184 19.000 -1.812 0.000 0.815 609 A HN 0.297 nan 8.150 nan 0.000 0.443 610 T N -0.895 113.356 114.554 -0.505 0.000 2.915 610 T HA -0.071 4.278 4.350 -0.001 0.000 0.269 610 T C 2.030 176.596 174.700 -0.222 0.000 1.071 610 T CA 1.334 63.337 62.100 -0.162 0.000 1.132 610 T CB -0.146 68.773 68.868 0.085 0.000 0.878 610 T HN 0.484 nan 8.240 nan 0.000 0.479 611 R N 0.738 121.075 120.500 -0.272 0.000 2.062 611 R HA 0.006 4.345 4.340 -0.001 0.000 0.229 611 R C 2.717 178.878 176.300 -0.231 0.000 1.128 611 R CA 1.189 57.158 56.100 -0.219 0.000 0.960 611 R CB -0.070 30.123 30.300 -0.179 0.000 0.855 611 R HN 0.458 nan 8.270 nan 0.000 0.432 612 Q N -0.689 118.909 119.800 -0.336 0.000 2.124 612 Q HA -0.150 4.189 4.340 -0.001 0.000 0.202 612 Q C 1.795 177.667 176.000 -0.213 0.000 0.977 612 Q CA 1.159 56.782 55.803 -0.300 0.000 0.850 612 Q CB -0.041 28.464 28.738 -0.388 0.000 0.901 612 Q HN 0.255 nan 8.270 nan 0.000 0.429 613 F N 0.969 120.763 119.950 -0.259 0.000 2.171 613 F HA -0.177 4.350 4.527 -0.001 0.000 0.300 613 F C 2.718 178.365 175.800 -0.255 0.000 1.090 613 F CA 1.406 59.247 58.000 -0.264 0.000 1.293 613 F CB -1.013 37.853 39.000 -0.222 0.000 1.013 613 F HN 0.080 nan 8.300 nan 0.000 0.486 614 S N 0.504 116.184 115.700 -0.032 0.000 2.481 614 S HA -0.156 4.313 4.470 -0.001 0.000 0.231 614 S C 1.881 176.398 174.600 -0.138 0.000 0.996 614 S CA 0.762 58.900 58.200 -0.103 0.000 0.942 614 S CB -0.678 62.452 63.200 -0.116 0.000 0.768 614 S HN 0.610 nan 8.310 nan 0.000 0.520 615 K N 1.118 121.436 120.400 -0.136 0.000 2.097 615 K HA -0.015 4.304 4.320 -0.001 0.000 0.205 615 K C 0.867 177.372 176.600 -0.159 0.000 1.050 615 K CA 0.572 56.782 56.287 -0.128 0.000 0.938 615 K CB -0.627 31.805 32.500 -0.114 0.000 0.718 615 K HN 0.365 nan 8.250 nan 0.000 0.442 616 M N 1.395 120.859 119.600 -0.225 0.000 2.252 616 M HA -0.000 4.479 4.480 -0.001 0.000 0.321 616 M C 1.362 177.407 176.300 -0.425 0.000 1.070 616 M CA 0.487 55.564 55.300 -0.371 0.000 1.143 616 M CB 0.662 32.876 32.600 -0.643 0.000 1.498 616 M HN 0.374 nan 8.290 nan 0.000 0.445 617 G N 1.435 110.039 108.800 -0.326 0.000 2.744 617 G HA2 -0.024 3.936 3.960 -0.001 0.000 0.211 617 G HA3 -0.024 3.936 3.960 -0.001 0.000 0.211 617 G C 0.652 175.512 174.900 -0.067 0.000 1.143 617 G CA 0.079 45.086 45.100 -0.155 0.000 0.788 617 G HN 0.787 nan 8.290 nan 0.000 0.534 618 F N -0.162 119.864 119.950 0.127 0.000 2.693 618 F HA 0.549 5.075 4.527 -0.001 0.000 0.303 618 F C -0.119 175.821 175.800 0.233 0.000 1.097 618 F CA -1.450 56.681 58.000 0.219 0.000 1.330 618 F CB -0.310 38.916 39.000 0.377 0.000 1.067 618 F HN -0.188 nan 8.300 nan 0.000 0.565 619 V N 1.553 121.468 119.914 0.001 0.000 2.398 619 V HA 0.189 4.308 4.120 -0.001 0.000 0.286 619 V C -0.590 175.495 176.094 -0.014 0.000 1.026 619 V CA -0.809 61.510 62.300 0.031 0.000 0.868 619 V CB 1.405 33.178 31.823 -0.084 0.000 0.982 619 V HN 0.073 nan 8.190 nan 0.000 0.443 620 D N 4.058 124.448 120.400 -0.016 0.000 2.453 620 D HA 0.045 4.684 4.640 -0.001 0.000 0.223 620 D C 1.304 177.558 176.300 -0.077 0.000 1.183 620 D CA -0.380 53.581 54.000 -0.064 0.000 0.933 620 D CB 0.759 41.496 40.800 -0.104 0.000 1.038 620 D HN 0.710 nan 8.370 nan 0.000 0.513 621 D N 3.036 123.393 120.400 -0.072 0.000 2.271 621 D HA -0.239 4.400 4.640 -0.001 0.000 0.207 621 D C 0.774 177.036 176.300 -0.063 0.000 0.983 621 D CA 0.804 54.756 54.000 -0.079 0.000 0.878 621 D CB 0.079 40.830 40.800 -0.082 0.000 0.920 621 D HN 0.435 nan 8.370 nan 0.000 0.479 622 K N -0.161 120.209 120.400 -0.051 0.000 2.525 622 K HA 0.101 4.420 4.320 -0.001 0.000 0.192 622 K C 0.753 177.355 176.600 0.003 0.000 1.029 622 K CA 0.172 56.445 56.287 -0.024 0.000 1.029 622 K CB 0.399 32.885 32.500 -0.025 0.000 0.814 622 K HN 0.040 nan 8.250 nan 0.000 0.503 623 R N 1.142 121.626 120.500 -0.027 0.000 2.701 623 R HA 0.314 4.653 4.340 -0.001 0.000 0.281 623 R C -0.936 175.405 176.300 0.068 0.000 1.367 623 R CA -0.135 55.971 56.100 0.010 0.000 1.510 623 R CB 0.634 30.772 30.300 -0.270 0.000 1.306 623 R HN 0.006 nan 8.270 nan 0.000 0.682 624 I N 1.126 121.788 120.570 0.154 0.000 2.336 624 I HA 0.547 4.717 4.170 -0.001 0.000 0.292 624 I C 0.280 176.641 176.117 0.407 0.000 0.991 624 I CA -0.570 60.840 61.300 0.185 0.000 1.227 624 I CB 1.718 39.656 38.000 -0.103 0.000 1.366 624 I HN 0.270 nan 8.210 nan 0.000 0.466 625 A N 7.246 130.405 122.820 0.566 0.000 2.443 625 A HA 0.947 5.267 4.320 -0.001 0.000 0.278 625 A C -1.035 176.914 177.584 0.608 0.000 1.252 625 A CA -0.661 51.704 52.037 0.547 0.000 0.816 625 A CB 2.371 21.554 19.000 0.306 0.000 1.369 625 A HN 0.723 nan 8.150 nan 0.000 0.446 626 I N -0.587 120.266 120.570 0.472 0.000 2.842 626 I HA 0.622 4.792 4.170 -0.001 0.000 0.297 626 I C -2.152 174.242 176.117 0.463 0.000 1.380 626 I CA -0.585 60.955 61.300 0.400 0.000 1.018 626 I CB 1.807 39.842 38.000 0.059 0.000 1.311 626 I HN 1.019 nan 8.210 nan 0.000 0.439 627 W N 6.341 127.781 121.300 0.232 0.000 3.025 627 W HA 0.866 5.525 4.660 -0.001 0.000 0.343 627 W C -1.379 175.294 176.519 0.257 0.000 1.246 627 W CA -0.793 56.697 57.345 0.242 0.000 1.178 627 W CB 0.907 30.558 29.460 0.318 0.000 1.463 627 W HN 0.877 nan 8.180 nan 0.000 0.578 628 G N 0.051 108.783 108.800 -0.112 0.000 2.523 628 G HA2 0.466 4.425 3.960 -0.001 0.000 0.291 628 G HA3 0.466 4.425 3.960 -0.001 0.000 0.291 628 G C -2.889 171.980 174.900 -0.051 0.000 1.450 628 G CA -0.754 44.144 45.100 -0.336 0.000 0.790 628 G HN 0.695 nan 8.290 nan 0.000 0.496 629 W N 1.023 122.221 121.300 -0.171 0.000 2.839 629 W HA 0.599 5.258 4.660 -0.001 0.000 0.334 629 W C 0.590 177.156 176.519 0.079 0.000 1.064 629 W CA 0.316 57.640 57.345 -0.034 0.000 1.236 629 W CB 1.681 31.100 29.460 -0.068 0.000 1.405 629 W HN 1.323 nan 8.180 nan 0.000 0.478 630 S N 2.985 118.865 115.700 0.299 0.000 4.118 630 S HA -0.417 4.052 4.470 -0.001 0.000 0.624 630 S C 1.064 175.819 174.600 0.258 0.000 1.929 630 S CA 1.681 60.095 58.200 0.356 0.000 4.219 630 S CB -1.784 61.749 63.200 0.554 0.000 0.206 630 S HN 0.741 nan 8.310 nan 0.000 0.525 631 Y N 2.547 122.991 120.300 0.241 0.000 2.207 631 Y HA -0.014 4.536 4.550 -0.001 0.000 0.287 631 Y C 2.372 178.327 175.900 0.092 0.000 1.156 631 Y CA 2.665 60.824 58.100 0.099 0.000 1.182 631 Y CB -1.063 37.257 38.460 -0.232 0.000 0.979 631 Y HN 0.538 nan 8.280 nan 0.000 0.521 632 G N -0.983 108.036 108.800 0.366 0.000 2.440 632 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.218 632 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.218 632 G C 1.963 176.942 174.900 0.132 0.000 1.154 632 G CA 0.835 46.074 45.100 0.231 0.000 0.767 632 G HN 0.574 nan 8.290 nan 0.000 0.552 633 G N -0.258 108.621 108.800 0.130 0.000 2.422 633 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.218 633 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.218 633 G C 1.620 176.583 174.900 0.105 0.000 1.146 633 G CA 1.171 46.327 45.100 0.094 0.000 0.769 633 G HN 0.431 nan 8.290 nan 0.000 0.547 634 Y N 1.563 121.806 120.300 -0.095 0.000 2.089 634 Y HA -0.145 4.404 4.550 -0.001 0.000 0.282 634 Y C 2.759 178.599 175.900 -0.100 0.000 1.139 634 Y CA 1.651 59.644 58.100 -0.179 0.000 1.123 634 Y CB -0.633 37.576 38.460 -0.418 0.000 0.980 634 Y HN 0.027 nan 8.280 nan 0.000 0.493 635 V N -0.071 119.715 119.914 -0.213 0.000 2.407 635 V HA -0.316 3.804 4.120 -0.001 0.000 0.248 635 V C 2.302 178.288 176.094 -0.179 0.000 1.055 635 V CA 2.348 64.492 62.300 -0.259 0.000 1.049 635 V CB -1.261 30.557 31.823 -0.008 0.000 0.662 635 V HN 0.511 nan 8.190 nan 0.000 0.455 636 T N -0.315 114.198 114.554 -0.068 0.000 2.684 636 T HA -0.203 4.146 4.350 -0.001 0.000 0.267 636 T C 2.177 176.827 174.700 -0.084 0.000 1.036 636 T CA 1.986 64.058 62.100 -0.047 0.000 1.148 636 T CB -0.286 68.639 68.868 0.096 0.000 0.863 636 T HN 0.485 nan 8.240 nan 0.000 0.436 637 S N 0.947 116.644 115.700 -0.006 0.000 2.356 637 S HA -0.036 4.434 4.470 -0.001 0.000 0.223 637 S C 2.155 176.672 174.600 -0.137 0.000 1.032 637 S CA 0.996 59.216 58.200 0.033 0.000 1.005 637 S CB -0.294 63.006 63.200 0.166 0.000 0.867 637 S HN 0.305 nan 8.310 nan 0.000 0.449 638 M N 0.806 120.254 119.600 -0.253 0.000 2.159 638 M HA -0.028 4.452 4.480 -0.001 0.000 0.263 638 M C 2.139 178.283 176.300 -0.261 0.000 1.063 638 M CA 1.001 56.127 55.300 -0.290 0.000 1.110 638 M CB -1.426 30.885 32.600 -0.482 0.000 1.374 638 M HN 0.172 nan 8.290 nan 0.000 0.411 639 V N 0.559 120.304 119.914 -0.281 0.000 2.229 639 V HA -0.231 3.889 4.120 -0.001 0.000 0.243 639 V C 2.535 178.421 176.094 -0.345 0.000 1.042 639 V CA 1.353 63.478 62.300 -0.291 0.000 1.000 639 V CB -0.681 30.896 31.823 -0.410 0.000 0.637 639 V HN 0.381 nan 8.190 nan 0.000 0.446 640 L N 0.532 121.491 121.223 -0.440 0.000 2.197 640 L HA -0.189 4.150 4.340 -0.001 0.000 0.215 640 L C 2.291 178.716 176.870 -0.742 0.000 1.095 640 L CA 1.680 56.209 54.840 -0.520 0.000 0.764 640 L CB -0.905 40.804 42.059 -0.583 0.000 0.897 640 L HN 0.548 nan 8.230 nan 0.000 0.436 641 G N -1.383 106.979 108.800 -0.731 0.000 2.880 641 G HA2 0.079 4.038 3.960 -0.001 0.000 0.209 641 G HA3 0.079 4.038 3.960 -0.001 0.000 0.209 641 G C 1.502 176.252 174.900 -0.249 0.000 1.157 641 G CA 0.496 45.247 45.100 -0.582 0.000 0.779 641 G HN 0.428 nan 8.290 nan 0.000 0.539 642 A N 0.187 122.889 122.820 -0.196 0.000 2.235 642 A HA 0.449 4.768 4.320 -0.001 0.000 0.208 642 A C 1.960 179.510 177.584 -0.057 0.000 1.172 642 A CA 1.033 53.015 52.037 -0.092 0.000 0.786 642 A CB -0.531 18.434 19.000 -0.057 0.000 0.804 642 A HN 1.409 nan 8.150 nan 0.000 0.479 643 G N 0.398 109.150 108.800 -0.079 0.000 2.366 643 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.299 643 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.299 643 G C 0.807 175.709 174.900 0.003 0.000 1.020 643 G CA 1.011 46.090 45.100 -0.035 0.000 1.026 643 G HN 1.435 nan 8.290 nan 0.000 0.512 644 S N -0.917 114.805 115.700 0.035 0.000 2.593 644 S HA 0.386 4.856 4.470 -0.001 0.000 0.217 644 S C 2.331 176.952 174.600 0.034 0.000 0.966 644 S CA 1.181 59.412 58.200 0.051 0.000 0.914 644 S CB 0.116 63.380 63.200 0.106 0.000 0.776 644 S HN 2.335 nan 8.310 nan 0.000 0.523 645 G N 0.634 109.456 108.800 0.037 0.000 2.228 645 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.270 645 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.270 645 G C 0.876 175.766 174.900 -0.018 0.000 0.976 645 G CA 0.634 45.742 45.100 0.014 0.000 0.636 645 G HN 0.673 nan 8.290 nan 0.000 0.542 646 V N -0.313 119.574 119.914 -0.044 0.000 2.379 646 V HA 0.216 4.336 4.120 -0.001 0.000 0.245 646 V C 1.338 177.194 176.094 -0.396 0.000 1.044 646 V CA 1.680 63.816 62.300 -0.273 0.000 1.036 646 V CB -0.386 31.155 31.823 -0.470 0.000 0.664 646 V HN 0.300 nan 8.190 nan 0.000 0.453 647 F N -0.084 119.889 119.950 0.038 0.000 2.404 647 F HA 0.395 4.921 4.527 -0.001 0.000 0.339 647 F C 1.098 176.944 175.800 0.076 0.000 1.105 647 F CA -0.457 57.588 58.000 0.075 0.000 1.087 647 F CB 1.260 40.305 39.000 0.074 0.000 1.143 647 F HN -0.235 nan 8.300 nan 0.000 0.491 648 K N 1.347 121.907 120.400 0.267 0.000 2.128 648 K HA 0.118 4.437 4.320 -0.001 0.000 0.202 648 K C 0.039 176.762 176.600 0.206 0.000 1.050 648 K CA 0.915 57.320 56.287 0.197 0.000 0.966 648 K CB 0.276 32.890 32.500 0.188 0.000 0.759 648 K HN 0.833 nan 8.250 nan 0.000 0.454 649 c N -2.999 115.757 118.600 0.259 0.000 3.311 649 c HA 0.932 5.501 4.570 -0.001 0.000 0.366 649 c C -0.151 174.163 174.090 0.372 0.000 1.694 649 c CA -0.489 56.016 56.329 0.294 0.000 1.244 649 c CB 1.015 43.621 42.510 0.160 0.000 2.038 649 c HN 0.379 nan 8.230 nan 0.000 0.436 650 G N -0.302 108.798 108.800 0.499 0.000 2.442 650 G HA2 0.595 4.554 3.960 -0.001 0.000 0.296 650 G HA3 0.595 4.554 3.960 -0.001 0.000 0.296 650 G C -2.045 173.089 174.900 0.391 0.000 1.564 650 G CA -0.608 44.756 45.100 0.439 0.000 0.828 650 G HN 0.973 nan 8.290 nan 0.000 0.571 651 I N 0.823 121.581 120.570 0.314 0.000 2.466 651 I HA 0.664 4.834 4.170 -0.001 0.000 0.289 651 I C 0.257 176.496 176.117 0.203 0.000 1.026 651 I CA -0.970 60.390 61.300 0.101 0.000 1.078 651 I CB 2.244 40.288 38.000 0.072 0.000 1.249 651 I HN 0.738 nan 8.210 nan 0.000 0.429 652 A N 6.260 129.102 122.820 0.037 0.000 2.331 652 A HA 0.838 5.157 4.320 -0.001 0.000 0.320 652 A C -0.839 176.690 177.584 -0.092 0.000 1.138 652 A CA -0.542 51.540 52.037 0.074 0.000 0.790 652 A CB 1.353 20.465 19.000 0.186 0.000 1.206 652 A HN 0.436 nan 8.150 nan 0.000 0.470 653 V N 1.749 121.565 119.914 -0.163 0.000 2.448 653 V HA 0.600 4.719 4.120 -0.001 0.000 0.295 653 V C 0.869 176.571 176.094 -0.653 0.000 1.025 653 V CA 0.149 62.156 62.300 -0.489 0.000 0.859 653 V CB 0.791 32.114 31.823 -0.835 0.000 0.988 653 V HN 2.172 nan 8.190 nan 0.000 0.431 654 A N 5.450 127.814 122.820 -0.760 0.000 2.312 654 A HA -0.106 4.213 4.320 -0.001 0.000 0.286 654 A C -1.800 175.489 177.584 -0.492 0.000 1.425 654 A CA 0.545 51.899 52.037 -1.138 0.000 0.748 654 A CB -1.476 17.138 19.000 -0.644 0.000 1.126 654 A HN 0.623 nan 8.150 nan 0.000 0.368 655 P HA 0.492 nan 4.420 nan 0.000 0.282 655 P C 0.067 177.302 177.300 -0.107 0.000 1.259 655 P CA -0.410 62.631 63.100 -0.098 0.000 0.826 655 P CB 1.490 33.184 31.700 -0.009 0.000 1.064 656 V N 1.635 121.393 119.914 -0.259 0.000 2.686 656 V HA 0.138 4.257 4.120 -0.001 0.000 0.295 656 V C 1.598 177.442 176.094 -0.417 0.000 1.057 656 V CA 0.801 62.790 62.300 -0.518 0.000 1.012 656 V CB 1.028 32.133 31.823 -1.197 0.000 1.006 656 V HN 0.854 nan 8.190 nan 0.000 0.477 657 S N 2.634 118.144 115.700 -0.317 0.000 2.619 657 S HA 0.307 4.776 4.470 -0.001 0.000 0.238 657 S C 0.318 174.784 174.600 -0.222 0.000 1.068 657 S CA -0.255 57.857 58.200 -0.146 0.000 0.926 657 S CB 0.330 63.522 63.200 -0.014 0.000 0.864 657 S HN 0.613 nan 8.310 nan 0.000 0.493 658 K N -0.289 119.913 120.400 -0.332 0.000 2.619 658 K HA 0.265 4.585 4.320 -0.001 0.000 0.251 658 K C -1.071 175.253 176.600 -0.460 0.000 0.987 658 K CA -0.633 55.403 56.287 -0.419 0.000 0.844 658 K CB 0.746 32.916 32.500 -0.550 0.000 1.237 658 K HN 0.193 nan 8.250 nan 0.000 0.447 659 W N 2.195 123.421 121.300 -0.123 0.000 2.359 659 W HA -0.147 4.512 4.660 -0.001 0.000 0.275 659 W C 1.246 177.865 176.519 0.167 0.000 1.217 659 W CA 0.709 58.058 57.345 0.007 0.000 1.196 659 W CB 0.250 29.671 29.460 -0.064 0.000 1.129 659 W HN 0.754 nan 8.180 nan 0.000 0.566 660 E N -1.350 118.964 120.200 0.190 0.000 2.418 660 E HA -0.170 4.180 4.350 -0.001 0.000 0.197 660 E C 1.317 177.989 176.600 0.121 0.000 1.026 660 E CA 0.860 57.323 56.400 0.105 0.000 0.862 660 E CB -0.288 29.348 29.700 -0.107 0.000 0.799 660 E HN 0.351 nan 8.360 nan 0.000 0.518 661 Y N -1.441 118.947 120.300 0.145 0.000 2.519 661 Y HA 0.048 4.598 4.550 -0.001 0.000 0.287 661 Y C 0.628 176.633 175.900 0.174 0.000 1.128 661 Y CA -0.168 57.989 58.100 0.096 0.000 1.282 661 Y CB -0.346 38.109 38.460 -0.009 0.000 1.027 661 Y HN 0.024 nan 8.280 nan 0.000 0.551 662 Y N 1.781 122.234 120.300 0.255 0.000 2.334 662 Y HA 0.246 4.795 4.550 -0.001 0.000 0.325 662 Y C 0.438 176.544 175.900 0.343 0.000 1.308 662 Y CA -1.973 56.294 58.100 0.277 0.000 1.389 662 Y CB 0.298 38.964 38.460 0.342 0.000 1.328 662 Y HN 0.192 nan 8.280 nan 0.000 0.532 663 D N -0.663 119.496 120.400 -0.402 0.000 2.368 663 D HA 0.095 4.735 4.640 -0.001 0.000 0.240 663 D C 0.964 177.262 176.300 -0.003 0.000 1.169 663 D CA 0.339 54.148 54.000 -0.319 0.000 0.906 663 D CB 0.874 41.213 40.800 -0.769 0.000 1.187 663 D HN 0.472 nan 8.370 nan 0.000 0.435 664 S N 1.010 116.702 115.700 -0.014 0.000 2.348 664 S HA -0.226 4.243 4.470 -0.001 0.000 0.221 664 S C 1.961 176.595 174.600 0.057 0.000 1.033 664 S CA 1.185 59.426 58.200 0.069 0.000 1.010 664 S CB -1.062 62.179 63.200 0.068 0.000 0.891 664 S HN 0.435 nan 8.310 nan 0.000 0.442 665 V N 0.726 120.618 119.914 -0.037 0.000 2.380 665 V HA -0.181 3.938 4.120 -0.001 0.000 0.251 665 V C 2.278 178.299 176.094 -0.123 0.000 1.063 665 V CA 2.282 64.475 62.300 -0.179 0.000 1.055 665 V CB -1.084 30.458 31.823 -0.467 0.000 0.657 665 V HN 0.647 nan 8.190 nan 0.000 0.455 666 Y N 1.195 121.450 120.300 -0.076 0.000 2.205 666 Y HA -0.130 4.419 4.550 -0.001 0.000 0.292 666 Y C 2.725 178.585 175.900 -0.066 0.000 1.119 666 Y CA 2.016 60.116 58.100 -0.000 0.000 1.117 666 Y CB -0.638 38.046 38.460 0.373 0.000 1.037 666 Y HN 0.199 nan 8.280 nan 0.000 0.510 667 T N 0.564 115.364 114.554 0.410 0.000 2.635 667 T HA -0.245 4.105 4.350 -0.001 0.000 0.267 667 T C 1.604 176.265 174.700 -0.066 0.000 1.040 667 T CA 2.071 64.314 62.100 0.237 0.000 1.156 667 T CB -0.444 68.721 68.868 0.494 0.000 0.863 667 T HN 0.420 nan 8.240 nan 0.000 0.430 668 E N 0.404 120.603 120.200 -0.001 0.000 2.209 668 E HA -0.145 4.204 4.350 -0.001 0.000 0.196 668 E C 2.359 178.828 176.600 -0.218 0.000 0.993 668 E CA 0.636 57.017 56.400 -0.030 0.000 0.819 668 E CB -0.138 29.588 29.700 0.044 0.000 0.745 668 E HN 0.343 nan 8.360 nan 0.000 0.477 669 R N -0.314 119.899 120.500 -0.479 0.000 2.152 669 R HA -0.172 4.168 4.340 -0.001 0.000 0.232 669 R C 1.145 176.872 176.300 -0.955 0.000 1.117 669 R CA 1.419 57.052 56.100 -0.780 0.000 0.981 669 R CB 0.087 29.650 30.300 -1.229 0.000 0.870 669 R HN 0.217 nan 8.270 nan 0.000 0.451 670 Y N -2.275 117.696 120.300 -0.549 0.000 2.559 670 Y HA 0.213 4.762 4.550 -0.001 0.000 0.279 670 Y C 1.760 177.439 175.900 -0.369 0.000 1.117 670 Y CA 0.065 57.830 58.100 -0.558 0.000 1.263 670 Y CB 0.245 38.247 38.460 -0.764 0.000 1.230 670 Y HN -0.067 nan 8.280 nan 0.000 0.528 671 M N -0.313 119.138 119.600 -0.249 0.000 2.414 671 M HA 0.354 4.833 4.480 -0.001 0.000 0.251 671 M C 1.155 177.439 176.300 -0.026 0.000 1.116 671 M CA 0.886 56.027 55.300 -0.265 0.000 1.056 671 M CB -0.632 31.562 32.600 -0.676 0.000 1.388 671 M HN 0.380 nan 8.290 nan 0.000 0.487 672 G N 1.783 110.590 108.800 0.012 0.000 2.553 672 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.242 672 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.242 672 G C -0.491 174.528 174.900 0.198 0.000 1.277 672 G CA -0.696 44.452 45.100 0.081 0.000 0.910 672 G HN 0.355 nan 8.290 nan 0.000 0.576 673 L N 2.206 123.514 121.223 0.143 0.000 2.307 673 L HA 0.421 4.761 4.340 -0.001 0.000 0.282 673 L C -1.268 175.581 176.870 -0.035 0.000 1.051 673 L CA -1.749 53.129 54.840 0.063 0.000 0.804 673 L CB 2.001 44.065 42.059 0.008 0.000 1.197 673 L HN 0.469 nan 8.230 nan 0.000 0.431 674 P HA -0.001 nan 4.420 nan 0.000 0.271 674 P C -0.019 177.103 177.300 -0.297 0.000 1.535 674 P CA -0.012 62.614 63.100 -0.789 0.000 0.820 674 P CB -0.599 30.389 31.700 -1.187 0.000 1.606 675 T N -3.317 111.159 114.554 -0.131 0.000 2.902 675 T HA 0.366 4.715 4.350 -0.001 0.000 0.283 675 T C -1.646 173.042 174.700 -0.020 0.000 1.009 675 T CA -2.361 59.699 62.100 -0.067 0.000 1.051 675 T CB 1.633 70.475 68.868 -0.043 0.000 0.999 675 T HN -0.192 nan 8.240 nan 0.000 0.474 676 P HA -0.109 nan 4.420 nan 0.000 0.219 676 P C 0.652 177.963 177.300 0.020 0.000 1.146 676 P CA 1.143 64.249 63.100 0.010 0.000 0.808 676 P CB 0.121 31.823 31.700 0.003 0.000 0.779 677 E N -0.946 119.260 120.200 0.010 0.000 2.427 677 E HA -0.044 4.306 4.350 -0.001 0.000 0.196 677 E C 1.407 178.020 176.600 0.021 0.000 1.028 677 E CA 0.550 56.958 56.400 0.013 0.000 0.864 677 E CB -0.294 29.408 29.700 0.003 0.000 0.813 677 E HN 0.329 nan 8.360 nan 0.000 0.514 678 D N -0.195 120.223 120.400 0.030 0.000 3.305 678 D HA 0.100 4.740 4.640 -0.001 0.000 0.221 678 D C 0.053 176.404 176.300 0.084 0.000 1.187 678 D CA -0.171 53.857 54.000 0.047 0.000 1.276 678 D CB 0.045 40.872 40.800 0.045 0.000 0.924 678 D HN -0.007 nan 8.370 nan 0.000 0.189 679 N N 0.484 119.267 118.700 0.139 0.000 2.351 679 N HA 0.032 4.772 4.740 -0.001 0.000 0.254 679 N C 1.276 176.995 175.510 0.349 0.000 1.241 679 N CA -0.140 53.044 53.050 0.224 0.000 0.883 679 N CB 0.607 39.217 38.487 0.206 0.000 1.202 679 N HN 0.030 nan 8.380 nan 0.000 0.512 680 L N 0.942 122.285 121.223 0.200 0.000 2.189 680 L HA -0.171 4.168 4.340 -0.001 0.000 0.214 680 L C 1.450 178.446 176.870 0.211 0.000 1.097 680 L CA 1.863 56.794 54.840 0.153 0.000 0.764 680 L CB -0.374 41.696 42.059 0.019 0.000 0.900 680 L HN 0.217 nan 8.230 nan 0.000 0.436 681 D N -0.960 119.555 120.400 0.193 0.000 2.087 681 D HA -0.255 4.384 4.640 -0.001 0.000 0.192 681 D C 2.049 178.385 176.300 0.060 0.000 0.993 681 D CA 1.939 56.002 54.000 0.104 0.000 0.828 681 D CB -0.444 40.404 40.800 0.081 0.000 0.968 681 D HN 0.426 nan 8.370 nan 0.000 0.448 682 Y N -0.284 120.070 120.300 0.091 0.000 2.497 682 Y HA -0.141 4.408 4.550 -0.001 0.000 0.292 682 Y C 2.153 178.094 175.900 0.067 0.000 1.137 682 Y CA 0.464 58.589 58.100 0.042 0.000 1.285 682 Y CB -0.507 37.934 38.460 -0.032 0.000 0.991 682 Y HN 0.088 nan 8.280 nan 0.000 0.556 683 Y N -0.404 119.990 120.300 0.157 0.000 2.130 683 Y HA -0.199 4.350 4.550 -0.001 0.000 0.287 683 Y C 2.779 178.734 175.900 0.092 0.000 1.124 683 Y CA 1.701 59.887 58.100 0.143 0.000 1.118 683 Y CB -0.374 38.147 38.460 0.100 0.000 0.994 683 Y HN -0.093 nan 8.280 nan 0.000 0.497 684 R N 1.058 121.689 120.500 0.219 0.000 2.094 684 R HA -0.209 4.130 4.340 -0.001 0.000 0.239 684 R C 1.528 177.855 176.300 0.046 0.000 1.137 684 R CA 1.945 58.100 56.100 0.092 0.000 0.943 684 R CB -0.567 29.760 30.300 0.045 0.000 0.850 684 R HN 0.437 nan 8.270 nan 0.000 0.433 685 N N 0.318 119.019 118.700 0.003 0.000 2.421 685 N HA -0.063 4.676 4.740 -0.001 0.000 0.201 685 N C -0.147 175.371 175.510 0.013 0.000 1.198 685 N CA 0.808 53.840 53.050 -0.030 0.000 0.838 685 N CB 0.569 38.985 38.487 -0.119 0.000 1.011 685 N HN 0.269 nan 8.380 nan 0.000 0.463 686 S N -1.783 113.971 115.700 0.091 0.000 2.754 686 S HA 0.100 4.569 4.470 -0.001 0.000 0.247 686 S C 0.445 175.177 174.600 0.220 0.000 1.031 686 S CA -0.428 57.882 58.200 0.182 0.000 1.014 686 S CB -0.472 62.892 63.200 0.274 0.000 0.918 686 S HN 0.334 nan 8.310 nan 0.000 0.519 687 T N -1.339 113.282 114.554 0.112 0.000 2.881 687 T HA 0.553 4.903 4.350 -0.001 0.000 0.278 687 T C 1.246 175.996 174.700 0.083 0.000 0.982 687 T CA -0.450 61.687 62.100 0.061 0.000 0.989 687 T CB 1.160 70.023 68.868 -0.009 0.000 1.058 687 T HN -0.029 nan 8.240 nan 0.000 0.529 688 V N 0.870 120.825 119.914 0.068 0.000 2.788 688 V HA -0.038 4.081 4.120 -0.001 0.000 0.251 688 V C 2.533 178.627 176.094 -0.000 0.000 1.068 688 V CA 1.016 63.350 62.300 0.056 0.000 1.090 688 V CB -0.942 30.913 31.823 0.054 0.000 0.710 688 V HN 0.770 nan 8.190 nan 0.000 0.467 689 M N 1.313 120.892 119.600 -0.035 0.000 2.202 689 M HA -0.149 4.331 4.480 -0.001 0.000 0.262 689 M C 2.370 178.653 176.300 -0.029 0.000 1.063 689 M CA 2.004 57.266 55.300 -0.064 0.000 1.097 689 M CB -0.986 31.585 32.600 -0.048 0.000 1.382 689 M HN 0.517 nan 8.290 nan 0.000 0.413 690 S N -0.079 115.619 115.700 -0.003 0.000 2.442 690 S HA -0.115 4.354 4.470 -0.001 0.000 0.236 690 S C 1.752 176.361 174.600 0.015 0.000 1.007 690 S CA 0.870 59.072 58.200 0.004 0.000 0.965 690 S CB -0.413 62.791 63.200 0.007 0.000 0.773 690 S HN 0.541 nan 8.310 nan 0.000 0.504 691 R N 0.376 120.899 120.500 0.039 0.000 2.552 691 R HA 0.498 4.837 4.340 -0.001 0.000 0.314 691 R C 1.879 178.272 176.300 0.155 0.000 1.041 691 R CA 0.387 56.529 56.100 0.070 0.000 1.076 691 R CB -0.034 30.302 30.300 0.060 0.000 1.290 691 R HN 0.463 nan 8.270 nan 0.000 0.563 692 A N 1.229 124.093 122.820 0.074 0.000 1.908 692 A HA -0.247 4.072 4.320 -0.001 0.000 0.218 692 A C 2.022 179.669 177.584 0.104 0.000 1.181 692 A CA 1.716 53.771 52.037 0.030 0.000 0.627 692 A CB -0.189 18.750 19.000 -0.102 0.000 0.818 692 A HN 0.287 nan 8.150 nan 0.000 0.445 693 E N 0.666 120.906 120.200 0.067 0.000 2.097 693 E HA -0.218 4.132 4.350 -0.001 0.000 0.196 693 E C 1.712 178.364 176.600 0.088 0.000 1.000 693 E CA 1.976 58.414 56.400 0.063 0.000 0.804 693 E CB -0.592 29.131 29.700 0.038 0.000 0.740 693 E HN 0.758 nan 8.360 nan 0.000 0.454 694 N N -1.306 117.443 118.700 0.082 0.000 2.364 694 N HA -0.134 4.605 4.740 -0.001 0.000 0.183 694 N C 0.840 176.356 175.510 0.010 0.000 1.022 694 N CA 0.436 53.499 53.050 0.023 0.000 0.883 694 N CB -0.183 38.273 38.487 -0.051 0.000 0.965 694 N HN 0.157 nan 8.380 nan 0.000 0.438 695 F N 1.391 121.288 119.950 -0.087 0.000 2.722 695 F HA 0.006 4.532 4.527 -0.001 0.000 0.298 695 F C 1.820 177.615 175.800 -0.008 0.000 1.175 695 F CA 0.702 58.642 58.000 -0.100 0.000 1.462 695 F CB 0.039 38.909 39.000 -0.216 0.000 1.111 695 F HN -0.085 nan 8.300 nan 0.000 0.592 696 K N -0.384 120.113 120.400 0.161 0.000 2.439 696 K HA -0.097 4.222 4.320 -0.001 0.000 0.197 696 K C 1.364 178.027 176.600 0.105 0.000 1.041 696 K CA 0.589 56.956 56.287 0.132 0.000 0.970 696 K CB -0.028 32.530 32.500 0.096 0.000 0.773 696 K HN 0.223 nan 8.250 nan 0.000 0.479 697 Q N 0.280 120.124 119.800 0.074 0.000 2.280 697 Q HA 0.058 4.397 4.340 -0.001 0.000 0.201 697 Q C 0.423 176.465 176.000 0.071 0.000 0.890 697 Q CA 0.195 56.032 55.803 0.057 0.000 0.947 697 Q CB 0.585 29.338 28.738 0.025 0.000 1.081 697 Q HN 0.188 nan 8.270 nan 0.000 0.502 698 V N -3.580 116.395 119.914 0.103 0.000 3.147 698 V HA 0.513 4.632 4.120 -0.001 0.000 0.306 698 V C -0.987 175.252 176.094 0.242 0.000 1.209 698 V CA -1.246 61.139 62.300 0.142 0.000 1.023 698 V CB 2.481 34.358 31.823 0.090 0.000 1.059 698 V HN -0.042 nan 8.190 nan 0.000 0.435 699 E N 1.753 122.116 120.200 0.272 0.000 2.229 699 E HA 0.464 4.813 4.350 -0.001 0.000 0.283 699 E C -1.799 175.170 176.600 0.616 0.000 1.030 699 E CA -0.281 56.343 56.400 0.374 0.000 0.836 699 E CB 1.618 31.441 29.700 0.205 0.000 1.068 699 E HN 0.695 nan 8.360 nan 0.000 0.401 700 Y N 3.363 123.957 120.300 0.491 0.000 2.425 700 Y HA 0.439 4.989 4.550 -0.001 0.000 0.344 700 Y C -1.673 174.342 175.900 0.191 0.000 0.969 700 Y CA -1.045 57.291 58.100 0.394 0.000 1.052 700 Y CB 1.078 39.796 38.460 0.430 0.000 1.215 700 Y HN 0.432 nan 8.280 nan 0.000 0.451 701 L N 7.754 128.621 121.223 -0.594 0.000 2.349 701 L HA 0.535 4.875 4.340 -0.001 0.000 0.278 701 L C -1.877 174.482 176.870 -0.852 0.000 0.996 701 L CA -1.162 53.187 54.840 -0.818 0.000 0.825 701 L CB 1.446 42.708 42.059 -1.328 0.000 1.243 701 L HN 0.726 nan 8.230 nan 0.000 0.412 702 L N 6.731 127.591 121.223 -0.605 0.000 2.305 702 L HA 0.616 4.955 4.340 -0.001 0.000 0.284 702 L C -0.973 175.775 176.870 -0.203 0.000 1.013 702 L CA -0.005 54.576 54.840 -0.432 0.000 0.819 702 L CB 1.341 43.251 42.059 -0.248 0.000 1.227 702 L HN 0.413 nan 8.230 nan 0.000 0.417 703 I N 4.874 125.337 120.570 -0.177 0.000 2.545 703 I HA 0.496 4.665 4.170 -0.001 0.000 0.292 703 I C -0.963 175.131 176.117 -0.038 0.000 1.040 703 I CA -0.740 60.499 61.300 -0.101 0.000 1.068 703 I CB 1.826 39.744 38.000 -0.138 0.000 1.251 703 I HN 0.559 nan 8.210 nan 0.000 0.424 704 H N 2.757 121.855 119.070 0.047 0.000 3.085 704 H HA 0.410 4.965 4.556 -0.001 0.000 0.356 704 H C -0.819 174.711 175.328 0.337 0.000 1.178 704 H CA -0.587 55.542 56.048 0.135 0.000 1.214 704 H CB 2.560 32.357 29.762 0.059 0.000 1.881 704 H HN 0.758 nan 8.280 nan 0.000 0.538 705 G N 0.925 110.075 108.800 0.585 0.000 2.339 705 G HA2 0.240 4.199 3.960 -0.001 0.000 0.287 705 G HA3 0.240 4.199 3.960 -0.001 0.000 0.287 705 G C 1.113 176.226 174.900 0.354 0.000 1.163 705 G CA 0.158 45.519 45.100 0.434 0.000 0.872 705 G HN 0.647 nan 8.290 nan 0.000 0.464 706 T N -0.460 114.139 114.554 0.075 0.000 2.977 706 T HA 0.021 4.370 4.350 -0.001 0.000 0.271 706 T C 1.726 176.369 174.700 -0.096 0.000 1.105 706 T CA 1.389 63.315 62.100 -0.291 0.000 1.116 706 T CB 0.132 68.737 68.868 -0.438 0.000 0.878 706 T HN 0.658 nan 8.240 nan 0.000 0.509 707 A N 0.737 123.602 122.820 0.074 0.000 2.545 707 A HA 0.288 4.608 4.320 -0.001 0.000 0.277 707 A C 0.528 178.138 177.584 0.043 0.000 1.301 707 A CA -0.471 51.649 52.037 0.138 0.000 0.935 707 A CB -0.180 19.104 19.000 0.474 0.000 1.093 707 A HN 0.417 nan 8.150 nan 0.000 0.519 708 D N 1.671 122.085 120.400 0.023 0.000 2.349 708 D HA -0.020 4.620 4.640 -0.001 0.000 0.266 708 D C 0.175 176.423 176.300 -0.085 0.000 1.293 708 D CA 0.211 54.278 54.000 0.111 0.000 0.926 708 D CB 0.663 41.632 40.800 0.280 0.000 1.090 708 D HN 0.542 nan 8.370 nan 0.000 0.502 709 D N 2.406 122.823 120.400 0.029 0.000 2.349 709 D HA -0.127 4.513 4.640 -0.001 0.000 0.215 709 D C 0.913 177.134 176.300 -0.131 0.000 1.016 709 D CA -0.079 53.896 54.000 -0.042 0.000 0.870 709 D CB 0.383 41.210 40.800 0.045 0.000 0.917 709 D HN 0.203 nan 8.370 nan 0.000 0.524 710 N N 0.608 119.285 118.700 -0.038 0.000 2.324 710 N HA -0.035 4.705 4.740 -0.001 0.000 0.192 710 N C -0.118 175.225 175.510 -0.278 0.000 1.046 710 N CA 0.588 53.642 53.050 0.005 0.000 0.898 710 N CB 0.469 38.920 38.487 -0.059 0.000 1.079 710 N HN -0.093 nan 8.380 nan 0.000 0.456 711 V N 2.836 122.561 119.914 -0.315 0.000 2.294 711 V HA 0.240 4.359 4.120 -0.001 0.000 0.272 711 V C -0.606 175.412 176.094 -0.126 0.000 1.027 711 V CA -0.549 61.653 62.300 -0.162 0.000 0.823 711 V CB -0.101 31.695 31.823 -0.046 0.000 1.030 711 V HN 0.295 nan 8.190 nan 0.000 0.457 712 H N 3.089 122.037 119.070 -0.204 0.000 2.948 712 H HA -0.031 4.524 4.556 -0.001 0.000 0.351 712 H C 0.811 175.888 175.328 -0.418 0.000 1.079 712 H CA 0.057 55.901 56.048 -0.340 0.000 1.407 712 H CB 0.726 30.229 29.762 -0.432 0.000 1.373 712 H HN 0.622 nan 8.280 nan 0.000 0.605 713 F N 1.900 121.557 119.950 -0.487 0.000 2.236 713 F HA -0.290 4.237 4.527 -0.001 0.000 0.302 713 F C 2.522 178.004 175.800 -0.530 0.000 1.073 713 F CA 1.713 59.278 58.000 -0.726 0.000 1.336 713 F CB -0.244 38.511 39.000 -0.408 0.000 1.040 713 F HN 0.673 nan 8.300 nan 0.000 0.507 714 Q N 0.159 119.758 119.800 -0.336 0.000 2.118 714 Q HA -0.328 4.012 4.340 -0.001 0.000 0.211 714 Q C 2.150 177.805 176.000 -0.576 0.000 0.998 714 Q CA 2.488 58.037 55.803 -0.424 0.000 0.872 714 Q CB -0.381 28.092 28.738 -0.442 0.000 0.925 714 Q HN 0.552 nan 8.270 nan 0.000 0.414 715 Q N -0.333 119.156 119.800 -0.518 0.000 2.112 715 Q HA -0.155 4.184 4.340 -0.001 0.000 0.206 715 Q C 2.276 178.107 176.000 -0.282 0.000 0.987 715 Q CA 1.828 57.430 55.803 -0.334 0.000 0.858 715 Q CB -0.192 28.477 28.738 -0.115 0.000 0.905 715 Q HN 0.344 nan 8.270 nan 0.000 0.420 716 S N 0.285 115.727 115.700 -0.429 0.000 2.414 716 S HA 0.028 4.498 4.470 -0.001 0.000 0.227 716 S C 1.987 176.321 174.600 -0.442 0.000 1.022 716 S CA 0.654 58.632 58.200 -0.371 0.000 0.958 716 S CB -0.025 62.946 63.200 -0.383 0.000 0.797 716 S HN 0.471 nan 8.310 nan 0.000 0.493 717 A N 1.464 123.913 122.820 -0.618 0.000 1.902 717 A HA -0.123 4.197 4.320 -0.001 0.000 0.217 717 A C 2.123 179.578 177.584 -0.215 0.000 1.181 717 A CA 1.139 52.941 52.037 -0.392 0.000 0.623 717 A CB -0.511 18.304 19.000 -0.309 0.000 0.818 717 A HN 0.343 nan 8.150 nan 0.000 0.443 718 Q N -0.950 118.716 119.800 -0.224 0.000 2.124 718 Q HA -0.144 4.195 4.340 -0.001 0.000 0.202 718 Q C 2.087 178.036 176.000 -0.085 0.000 0.977 718 Q CA 1.376 57.111 55.803 -0.113 0.000 0.850 718 Q CB -0.551 28.156 28.738 -0.052 0.000 0.901 718 Q HN 0.599 nan 8.270 nan 0.000 0.429 719 L N 0.992 122.143 121.223 -0.119 0.000 2.056 719 L HA -0.133 4.206 4.340 -0.001 0.000 0.207 719 L C 2.322 179.071 176.870 -0.201 0.000 1.078 719 L CA 2.243 56.993 54.840 -0.149 0.000 0.749 719 L CB -0.900 41.073 42.059 -0.143 0.000 0.901 719 L HN 0.211 nan 8.230 nan 0.000 0.433 720 S N -0.980 114.641 115.700 -0.132 0.000 2.382 720 S HA -0.279 4.190 4.470 -0.001 0.000 0.228 720 S C 2.113 176.730 174.600 0.028 0.000 1.027 720 S CA 1.366 59.556 58.200 -0.018 0.000 0.991 720 S CB -0.650 62.660 63.200 0.183 0.000 0.823 720 S HN 0.511 nan 8.310 nan 0.000 0.469 721 K N 1.855 122.248 120.400 -0.011 0.000 2.009 721 K HA -0.049 4.270 4.320 -0.001 0.000 0.210 721 K C 2.360 178.948 176.600 -0.020 0.000 1.049 721 K CA 1.347 57.635 56.287 0.001 0.000 0.929 721 K CB -0.742 31.747 32.500 -0.018 0.000 0.714 721 K HN 0.439 nan 8.250 nan 0.000 0.440 722 A N 1.031 123.811 122.820 -0.068 0.000 1.877 722 A HA -0.154 4.166 4.320 -0.001 0.000 0.216 722 A C 2.144 179.661 177.584 -0.112 0.000 1.186 722 A CA 1.554 53.541 52.037 -0.083 0.000 0.620 722 A CB -0.772 18.165 19.000 -0.104 0.000 0.822 722 A HN 0.335 nan 8.150 nan 0.000 0.443 723 L N -0.527 120.561 121.223 -0.225 0.000 2.079 723 L HA -0.187 4.152 4.340 -0.001 0.000 0.210 723 L C 2.510 179.366 176.870 -0.024 0.000 1.081 723 L CA 1.207 55.870 54.840 -0.295 0.000 0.752 723 L CB -0.595 40.971 42.059 -0.822 0.000 0.896 723 L HN 0.265 nan 8.230 nan 0.000 0.433 724 V N -0.467 119.503 119.914 0.094 0.000 2.427 724 V HA -0.245 3.875 4.120 -0.001 0.000 0.248 724 V C 2.050 178.190 176.094 0.078 0.000 1.051 724 V CA 1.674 64.074 62.300 0.167 0.000 1.048 724 V CB -0.445 31.475 31.823 0.163 0.000 0.666 724 V HN 0.430 nan 8.190 nan 0.000 0.456 725 D N 0.632 121.053 120.400 0.035 0.000 2.178 725 D HA -0.073 4.567 4.640 -0.001 0.000 0.202 725 D C 2.082 178.394 176.300 0.019 0.000 0.974 725 D CA 1.523 55.536 54.000 0.021 0.000 0.841 725 D CB -0.080 40.723 40.800 0.004 0.000 0.953 725 D HN 0.465 nan 8.370 nan 0.000 0.478 726 A N 0.044 122.870 122.820 0.010 0.000 2.206 726 A HA 0.333 4.653 4.320 -0.001 0.000 0.211 726 A C 1.605 179.213 177.584 0.039 0.000 1.158 726 A CA 1.059 53.104 52.037 0.014 0.000 0.761 726 A CB -0.246 18.748 19.000 -0.009 0.000 0.801 726 A HN 0.241 nan 8.150 nan 0.000 0.473 727 G N -1.048 107.788 108.800 0.060 0.000 2.248 727 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.263 727 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.263 727 G C -0.148 174.817 174.900 0.108 0.000 1.082 727 G CA 0.152 45.300 45.100 0.079 0.000 0.863 727 G HN 0.810 nan 8.290 nan 0.000 0.495 728 V N 0.533 120.534 119.914 0.145 0.000 2.398 728 V HA 0.511 4.630 4.120 -0.001 0.000 0.286 728 V C 0.358 176.683 176.094 0.385 0.000 1.026 728 V CA -0.730 61.689 62.300 0.197 0.000 0.868 728 V CB 1.801 33.682 31.823 0.096 0.000 0.982 728 V HN 0.431 nan 8.190 nan 0.000 0.443 729 D N 3.819 124.419 120.400 0.333 0.000 2.354 729 D HA 0.681 5.321 4.640 -0.001 0.000 0.247 729 D C -0.674 175.972 176.300 0.578 0.000 1.138 729 D CA 0.288 54.489 54.000 0.336 0.000 0.958 729 D CB 1.145 42.048 40.800 0.171 0.000 1.144 729 D HN 0.375 nan 8.370 nan 0.000 0.458 730 F N -1.771 118.265 119.950 0.142 0.000 2.866 730 F HA 0.269 4.795 4.527 -0.001 0.000 0.327 730 F C -1.186 174.676 175.800 0.103 0.000 1.139 730 F CA -1.112 57.000 58.000 0.186 0.000 0.920 730 F CB 0.175 39.338 39.000 0.271 0.000 1.288 730 F HN 0.229 nan 8.300 nan 0.000 0.449 731 Q N 0.421 120.266 119.800 0.076 0.000 2.199 731 Q HA 0.818 5.157 4.340 -0.001 0.000 0.232 731 Q C -0.986 174.943 176.000 -0.119 0.000 0.969 731 Q CA -0.899 54.852 55.803 -0.086 0.000 0.925 731 Q CB 2.016 30.755 28.738 0.001 0.000 1.198 731 Q HN 0.798 nan 8.270 nan 0.000 0.494 732 T N 0.597 115.069 114.554 -0.137 0.000 2.868 732 T HA 0.613 4.962 4.350 -0.001 0.000 0.306 732 T C -1.847 172.754 174.700 -0.165 0.000 1.224 732 T CA -0.610 61.430 62.100 -0.101 0.000 1.012 732 T CB 1.296 70.137 68.868 -0.045 0.000 1.221 732 T HN 0.477 nan 8.240 nan 0.000 0.499 733 M N 3.280 122.772 119.600 -0.179 0.000 2.265 733 M HA 0.495 4.974 4.480 -0.001 0.000 0.251 733 M C -2.242 173.860 176.300 -0.331 0.000 1.005 733 M CA -0.566 54.480 55.300 -0.423 0.000 0.998 733 M CB 0.886 33.167 32.600 -0.531 0.000 2.070 733 M HN 0.682 nan 8.290 nan 0.000 0.476 734 W N 4.672 125.779 121.300 -0.322 0.000 2.438 734 W HA 0.750 5.409 4.660 -0.001 0.000 0.324 734 W C -2.001 174.240 176.519 -0.463 0.000 1.119 734 W CA -0.801 56.435 57.345 -0.180 0.000 1.221 734 W CB 0.321 29.722 29.460 -0.098 0.000 1.253 734 W HN 0.596 nan 8.180 nan 0.000 0.555 735 Y N 2.860 123.254 120.300 0.157 0.000 2.388 735 Y HA 0.291 4.840 4.550 -0.001 0.000 0.328 735 Y C 0.498 176.472 175.900 0.123 0.000 0.963 735 Y CA -1.331 56.784 58.100 0.027 0.000 1.240 735 Y CB 1.171 39.626 38.460 -0.008 0.000 1.118 735 Y HN 0.441 nan 8.280 nan 0.000 0.484 736 T N 4.956 119.664 114.554 0.257 0.000 2.792 736 T HA -0.024 4.325 4.350 -0.001 0.000 0.286 736 T C 0.191 174.920 174.700 0.048 0.000 0.970 736 T CA 0.626 62.790 62.100 0.106 0.000 1.187 736 T CB -0.172 68.704 68.868 0.014 0.000 0.915 736 T HN 0.691 nan 8.240 nan 0.000 0.529 737 D N 0.724 121.126 120.400 0.004 0.000 3.079 737 D HA -0.123 4.517 4.640 -0.001 0.000 0.214 737 D C 0.175 176.578 176.300 0.171 0.000 1.145 737 D CA 1.044 55.001 54.000 -0.071 0.000 0.958 737 D CB -0.371 40.192 40.800 -0.394 0.000 1.117 737 D HN 0.548 nan 8.370 nan 0.000 0.416 738 E N 1.220 121.539 120.200 0.200 0.000 2.283 738 E HA 0.281 4.630 4.350 -0.001 0.000 0.278 738 E C 0.694 177.470 176.600 0.294 0.000 1.027 738 E CA -0.228 56.316 56.400 0.240 0.000 0.843 738 E CB 1.100 30.930 29.700 0.216 0.000 1.062 738 E HN 0.362 nan 8.360 nan 0.000 0.401 739 D N 0.456 121.050 120.400 0.324 0.000 2.453 739 D HA -0.033 4.606 4.640 -0.001 0.000 0.282 739 D C 1.194 177.747 176.300 0.421 0.000 1.222 739 D CA -0.106 54.113 54.000 0.365 0.000 1.079 739 D CB -0.016 41.021 40.800 0.395 0.000 1.128 739 D HN 0.343 nan 8.370 nan 0.000 0.568 740 H N -1.160 118.102 119.070 0.321 0.000 2.390 740 H HA -0.039 4.517 4.556 -0.001 0.000 0.298 740 H C 2.034 177.661 175.328 0.499 0.000 1.106 740 H CA 2.222 58.487 56.048 0.361 0.000 1.297 740 H CB -0.650 29.315 29.762 0.337 0.000 1.375 740 H HN 0.539 nan 8.280 nan 0.000 0.509 741 G N -0.100 108.963 108.800 0.438 0.000 2.464 741 G HA2 -0.024 3.935 3.960 -0.001 0.000 0.217 741 G HA3 -0.024 3.935 3.960 -0.001 0.000 0.217 741 G C 0.687 175.881 174.900 0.489 0.000 1.138 741 G CA 0.400 45.703 45.100 0.338 0.000 0.793 741 G HN 0.549 nan 8.290 nan 0.000 0.539 742 I N -0.153 120.654 120.570 0.396 0.000 6.822 742 I HA -0.298 3.872 4.170 -0.001 0.000 0.126 742 I C 1.427 177.684 176.117 0.233 0.000 1.756 742 I CA 0.123 61.584 61.300 0.269 0.000 2.250 742 I CB -1.497 36.643 38.000 0.233 0.000 3.407 742 I HN 0.265 nan 8.210 nan 0.000 0.229 743 A N 1.289 124.215 122.820 0.177 0.000 2.348 743 A HA 0.277 4.596 4.320 -0.001 0.000 0.224 743 A C 1.221 178.840 177.584 0.057 0.000 1.227 743 A CA 0.626 52.721 52.037 0.096 0.000 0.885 743 A CB 0.128 19.163 19.000 0.059 0.000 0.933 743 A HN 0.696 nan 8.150 nan 0.000 0.506 744 S N -0.205 115.541 115.700 0.076 0.000 2.573 744 S HA 0.054 4.523 4.470 -0.001 0.000 0.277 744 S C 0.754 175.387 174.600 0.054 0.000 1.346 744 S CA 0.273 58.507 58.200 0.056 0.000 1.034 744 S CB 0.076 63.313 63.200 0.063 0.000 0.879 744 S HN 0.515 nan 8.310 nan 0.000 0.528 745 N N 1.670 120.391 118.700 0.035 0.000 2.061 745 N HA -0.186 4.553 4.740 -0.001 0.000 0.193 745 N C 2.037 177.594 175.510 0.079 0.000 1.030 745 N CA 1.888 54.968 53.050 0.049 0.000 0.856 745 N CB -0.385 38.115 38.487 0.022 0.000 1.023 745 N HN 0.787 nan 8.380 nan 0.000 0.424 746 M N 0.407 120.039 119.600 0.054 0.000 2.132 746 M HA 0.088 4.567 4.480 -0.001 0.000 0.263 746 M C 2.258 178.587 176.300 0.049 0.000 1.065 746 M CA 1.426 56.758 55.300 0.054 0.000 1.122 746 M CB -0.924 31.701 32.600 0.043 0.000 1.365 746 M HN 0.016 nan 8.290 nan 0.000 0.411 747 A N 0.724 123.546 122.820 0.004 0.000 1.858 747 A HA -0.238 4.081 4.320 -0.001 0.000 0.216 747 A C 2.082 179.581 177.584 -0.140 0.000 1.190 747 A CA 2.310 54.260 52.037 -0.145 0.000 0.617 747 A CB -1.466 17.441 19.000 -0.155 0.000 0.827 747 A HN 0.751 nan 8.150 nan 0.000 0.443 748 H N -0.193 118.833 119.070 -0.073 0.000 2.319 748 H HA -0.182 4.373 4.556 -0.001 0.000 0.297 748 H C 2.129 177.507 175.328 0.082 0.000 1.097 748 H CA 2.468 58.537 56.048 0.034 0.000 1.285 748 H CB -0.217 29.573 29.762 0.047 0.000 1.368 748 H HN 0.614 nan 8.280 nan 0.000 0.495 749 Q N -1.136 118.651 119.800 -0.021 0.000 2.079 749 Q HA -0.170 4.169 4.340 -0.001 0.000 0.200 749 Q C 2.263 178.222 176.000 -0.069 0.000 0.974 749 Q CA 1.189 56.944 55.803 -0.081 0.000 0.840 749 Q CB -0.202 28.524 28.738 -0.021 0.000 0.898 749 Q HN 0.626 nan 8.270 nan 0.000 0.430 750 H N 0.849 119.858 119.070 -0.102 0.000 2.319 750 H HA -0.124 4.431 4.556 -0.001 0.000 0.299 750 H C 2.041 177.322 175.328 -0.079 0.000 1.092 750 H CA 1.525 57.529 56.048 -0.073 0.000 1.302 750 H CB -0.078 29.670 29.762 -0.023 0.000 1.373 750 H HN 0.279 nan 8.280 nan 0.000 0.497 751 I N -0.001 120.514 120.570 -0.092 0.000 2.252 751 I HA -0.319 3.851 4.170 -0.001 0.000 0.245 751 I C 1.808 177.713 176.117 -0.352 0.000 1.102 751 I CA 1.245 62.446 61.300 -0.165 0.000 1.385 751 I CB -0.271 37.488 38.000 -0.401 0.000 1.064 751 I HN 0.132 nan 8.210 nan 0.000 0.414 752 Y N 1.004 121.108 120.300 -0.327 0.000 2.293 752 Y HA -0.190 4.359 4.550 -0.001 0.000 0.291 752 Y C 2.708 178.451 175.900 -0.262 0.000 1.137 752 Y CA 1.785 59.591 58.100 -0.490 0.000 1.202 752 Y CB -0.838 37.334 38.460 -0.480 0.000 0.990 752 Y HN 0.164 nan 8.280 nan 0.000 0.537 753 T N -1.728 112.767 114.554 -0.099 0.000 2.777 753 T HA -0.209 4.140 4.350 -0.001 0.000 0.266 753 T C 1.540 176.041 174.700 -0.332 0.000 1.040 753 T CA 1.823 63.830 62.100 -0.154 0.000 1.141 753 T CB -0.393 68.319 68.868 -0.259 0.000 0.868 753 T HN 0.397 nan 8.240 nan 0.000 0.444 754 H N 0.969 119.806 119.070 -0.389 0.000 2.326 754 H HA 0.151 4.706 4.556 -0.001 0.000 0.301 754 H C 2.171 177.415 175.328 -0.140 0.000 1.081 754 H CA 1.496 57.344 56.048 -0.332 0.000 1.334 754 H CB -0.279 29.370 29.762 -0.189 0.000 1.385 754 H HN 0.228 nan 8.280 nan 0.000 0.504 755 M N -0.730 118.778 119.600 -0.153 0.000 2.213 755 M HA -0.163 4.316 4.480 -0.001 0.000 0.263 755 M C 2.324 178.737 176.300 0.188 0.000 1.062 755 M CA 1.460 56.681 55.300 -0.131 0.000 1.105 755 M CB 0.045 32.337 32.600 -0.512 0.000 1.385 755 M HN 0.188 nan 8.290 nan 0.000 0.417 756 S N -0.762 115.118 115.700 0.300 0.000 2.383 756 S HA -0.133 4.337 4.470 -0.001 0.000 0.227 756 S C 1.599 176.451 174.600 0.419 0.000 1.026 756 S CA 1.052 59.588 58.200 0.559 0.000 0.981 756 S CB -0.407 63.189 63.200 0.659 0.000 0.818 756 S HN 0.475 nan 8.310 nan 0.000 0.472 757 H N 0.252 119.379 119.070 0.094 0.000 2.321 757 H HA 0.030 4.586 4.556 -0.001 0.000 0.300 757 H C 1.763 177.098 175.328 0.012 0.000 1.087 757 H CA 1.107 57.170 56.048 0.026 0.000 1.319 757 H CB -0.804 28.928 29.762 -0.050 0.000 1.379 757 H HN 0.409 nan 8.280 nan 0.000 0.501 758 F N 0.744 120.685 119.950 -0.015 0.000 2.046 758 F HA -0.192 4.334 4.527 -0.001 0.000 0.297 758 F C 2.460 178.222 175.800 -0.063 0.000 1.123 758 F CA 1.172 59.129 58.000 -0.070 0.000 1.199 758 F CB -0.648 38.276 39.000 -0.127 0.000 0.972 758 F HN 0.107 nan 8.300 nan 0.000 0.474 759 L N 0.239 121.529 121.223 0.112 0.000 2.042 759 L HA -0.285 4.054 4.340 -0.001 0.000 0.210 759 L C 2.336 179.014 176.870 -0.320 0.000 1.076 759 L CA 1.866 56.613 54.840 -0.154 0.000 0.749 759 L CB -0.452 41.623 42.059 0.028 0.000 0.893 759 L HN 0.199 nan 8.230 nan 0.000 0.432 760 K N -1.152 119.204 120.400 -0.074 0.000 2.155 760 K HA -0.148 4.172 4.320 -0.001 0.000 0.203 760 K C 2.132 178.710 176.600 -0.037 0.000 1.052 760 K CA 0.728 57.012 56.287 -0.005 0.000 0.948 760 K CB 0.030 32.563 32.500 0.054 0.000 0.728 760 K HN 0.345 nan 8.250 nan 0.000 0.448 761 Q N 0.248 119.979 119.800 -0.114 0.000 2.079 761 Q HA -0.182 4.157 4.340 -0.001 0.000 0.200 761 Q C 2.379 178.286 176.000 -0.155 0.000 0.974 761 Q CA 1.208 56.936 55.803 -0.126 0.000 0.840 761 Q CB -0.484 28.155 28.738 -0.164 0.000 0.898 761 Q HN 0.397 nan 8.270 nan 0.000 0.430 762 c N 0.070 118.484 118.600 -0.311 0.000 2.422 762 c HA -0.104 4.465 4.570 -0.001 0.000 0.279 762 c C 2.092 176.203 174.090 0.035 0.000 1.305 762 c CA 0.411 56.582 56.329 -0.264 0.000 1.757 762 c CB -1.032 41.187 42.510 -0.486 0.000 1.962 762 c HN 0.347 nan 8.230 nan 0.000 0.499 763 F N 1.371 121.282 119.950 -0.064 0.000 2.727 763 F HA 0.264 4.790 4.527 -0.001 0.000 0.302 763 F C 1.552 177.332 175.800 -0.034 0.000 1.097 763 F CA 0.369 58.350 58.000 -0.032 0.000 1.330 763 F CB -1.042 37.947 39.000 -0.018 0.000 1.084 763 F HN 0.179 nan 8.300 nan 0.000 0.578 764 S N 1.298 117.076 115.700 0.130 0.000 3.697 764 S HA -0.178 4.291 4.470 -0.001 0.000 0.388 764 S C -0.336 174.302 174.600 0.062 0.000 0.941 764 S CA 0.080 58.317 58.200 0.061 0.000 1.247 764 S CB -2.085 61.141 63.200 0.044 0.000 0.904 764 S HN 0.214 nan 8.310 nan 0.000 0.518 765 L N 1.917 123.182 121.223 0.070 0.000 2.341 765 L HA 0.598 4.937 4.340 -0.001 0.000 0.278 765 L C -1.264 175.622 176.870 0.026 0.000 1.005 765 L CA -1.912 52.963 54.840 0.058 0.000 0.818 765 L CB 1.266 43.387 42.059 0.102 0.000 1.259 765 L HN 0.133 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 63.103 63.100 0.004 0.000 0.800 766 P CB 0.000 31.703 31.700 0.004 0.000 0.726