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 2bua_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 0.000 174.625 174.600 0.041 0.000 1.055 39 S CA 0.000 58.212 58.200 0.020 0.000 1.107 39 S CB 0.000 63.215 63.200 0.025 0.000 0.593 40 R N 1.591 122.128 120.500 0.062 0.000 2.980 40 R HA 0.417 4.757 4.340 -0.000 0.000 0.285 40 R C 0.269 176.619 176.300 0.083 0.000 1.072 40 R CA -0.038 56.109 56.100 0.078 0.000 1.203 40 R CB 0.201 30.557 30.300 0.093 0.000 1.163 40 R HN 0.344 nan 8.270 nan 0.000 0.545 41 R N -0.153 120.407 120.500 0.101 0.000 2.583 41 R HA 0.175 4.515 4.340 -0.000 0.000 0.268 41 R C 0.046 176.423 176.300 0.128 0.000 1.101 41 R CA -0.214 55.954 56.100 0.113 0.000 1.180 41 R CB 0.799 31.181 30.300 0.136 0.000 1.128 41 R HN 0.667 nan 8.270 nan 0.000 0.568 42 T N -2.323 112.313 114.554 0.137 0.000 2.950 42 T HA 0.201 4.551 4.350 -0.000 0.000 0.288 42 T C -0.686 174.140 174.700 0.211 0.000 1.035 42 T CA -0.716 61.480 62.100 0.159 0.000 1.028 42 T CB 0.867 69.823 68.868 0.146 0.000 1.109 42 T HN 0.465 nan 8.240 nan 0.000 0.514 43 Y N 2.895 123.249 120.300 0.091 0.000 2.537 43 Y HA 0.360 4.909 4.550 -0.000 0.000 0.339 43 Y C 0.985 177.025 175.900 0.234 0.000 1.066 43 Y CA -0.137 58.034 58.100 0.118 0.000 1.357 43 Y CB -0.071 38.405 38.460 0.027 0.000 1.175 43 Y HN 1.004 nan 8.280 nan 0.000 0.525 44 T N 3.028 117.555 114.554 -0.045 0.000 2.881 44 T HA 0.162 4.512 4.350 -0.000 0.000 0.278 44 T C 0.941 175.516 174.700 -0.209 0.000 0.982 44 T CA -0.803 61.305 62.100 0.013 0.000 0.989 44 T CB 1.295 70.160 68.868 -0.005 0.000 1.058 44 T HN 0.682 nan 8.240 nan 0.000 0.529 45 L N 1.347 122.282 121.223 -0.480 0.000 2.042 45 L HA 0.003 4.343 4.340 -0.000 0.000 0.210 45 L C 2.534 179.257 176.870 -0.246 0.000 1.076 45 L CA 2.178 56.614 54.840 -0.673 0.000 0.749 45 L CB -1.641 39.887 42.059 -0.886 0.000 0.893 45 L HN 0.961 nan 8.230 nan 0.000 0.432 46 T N -0.533 113.905 114.554 -0.193 0.000 2.788 46 T HA -0.155 4.194 4.350 -0.000 0.000 0.268 46 T C 1.512 176.138 174.700 -0.122 0.000 1.044 46 T CA 1.432 63.456 62.100 -0.127 0.000 1.139 46 T CB -0.384 68.430 68.868 -0.090 0.000 0.867 46 T HN 0.407 nan 8.240 nan 0.000 0.454 47 D N 0.085 120.388 120.400 -0.163 0.000 2.117 47 D HA -0.089 4.551 4.640 -0.000 0.000 0.197 47 D C 1.750 178.002 176.300 -0.081 0.000 0.987 47 D CA 1.046 54.948 54.000 -0.163 0.000 0.829 47 D CB -0.298 40.324 40.800 -0.297 0.000 0.961 47 D HN 0.419 nan 8.370 nan 0.000 0.460 48 Y N 1.640 121.800 120.300 -0.233 0.000 2.130 48 Y HA -0.084 4.466 4.550 -0.000 0.000 0.287 48 Y C 2.263 178.186 175.900 0.038 0.000 1.124 48 Y CA 1.151 59.266 58.100 0.026 0.000 1.118 48 Y CB -0.700 37.819 38.460 0.098 0.000 0.994 48 Y HN -0.140 nan 8.280 nan 0.000 0.497 49 L N 0.187 121.227 121.223 -0.305 0.000 2.127 49 L HA -0.224 4.115 4.340 -0.000 0.000 0.211 49 L C 1.874 178.643 176.870 -0.169 0.000 1.089 49 L CA 1.460 56.096 54.840 -0.341 0.000 0.757 49 L CB -0.507 41.429 42.059 -0.205 0.000 0.899 49 L HN 0.139 nan 8.230 nan 0.000 0.434 50 K N -0.728 119.603 120.400 -0.115 0.000 2.374 50 K HA 0.179 4.499 4.320 -0.000 0.000 0.196 50 K C 0.827 177.399 176.600 -0.047 0.000 1.023 50 K CA 0.052 56.296 56.287 -0.071 0.000 1.103 50 K CB 0.592 33.049 32.500 -0.071 0.000 0.848 50 K HN 0.042 nan 8.250 nan 0.000 0.528 51 S N 1.033 116.722 115.700 -0.018 0.000 3.614 51 S HA -0.149 4.321 4.470 -0.000 0.000 0.360 51 S C 1.260 175.881 174.600 0.035 0.000 1.023 51 S CA 1.083 59.320 58.200 0.062 0.000 1.114 51 S CB -1.746 61.480 63.200 0.043 0.000 0.907 51 S HN 0.651 nan 8.310 nan 0.000 0.470 52 T N -2.419 112.111 114.554 -0.040 0.000 2.929 52 T HA 0.009 4.359 4.350 -0.000 0.000 0.271 52 T C 0.359 174.850 174.700 -0.348 0.000 1.085 52 T CA 0.852 62.812 62.100 -0.234 0.000 1.125 52 T CB -0.359 68.274 68.868 -0.392 0.000 0.874 52 T HN 0.386 nan 8.240 nan 0.000 0.494 53 F N 2.133 122.168 119.950 0.142 0.000 2.291 53 F HA 0.581 5.108 4.527 -0.000 0.000 0.368 53 F C 0.491 176.399 175.800 0.180 0.000 1.085 53 F CA -1.549 56.564 58.000 0.188 0.000 1.165 53 F CB 0.699 39.885 39.000 0.309 0.000 1.429 53 F HN -0.129 nan 8.300 nan 0.000 0.503 54 R N 1.700 122.336 120.500 0.226 0.000 2.442 54 R HA 0.432 4.772 4.340 -0.000 0.000 0.291 54 R C -1.133 175.292 176.300 0.207 0.000 1.069 54 R CA -0.085 56.123 56.100 0.179 0.000 1.022 54 R CB 0.545 30.893 30.300 0.080 0.000 0.976 54 R HN 0.364 nan 8.270 nan 0.000 0.443 55 V N 6.225 126.281 119.914 0.237 0.000 2.350 55 V HA 0.292 4.412 4.120 -0.000 0.000 0.276 55 V C 0.209 176.425 176.094 0.203 0.000 1.028 55 V CA -0.580 61.877 62.300 0.262 0.000 0.860 55 V CB 1.236 33.281 31.823 0.370 0.000 0.990 55 V HN 0.714 nan 8.190 nan 0.000 0.453 56 K N 4.463 124.915 120.400 0.087 0.000 2.098 56 K HA 0.700 5.020 4.320 -0.000 0.000 0.257 56 K C -0.619 175.961 176.600 -0.033 0.000 0.999 56 K CA -0.182 56.029 56.287 -0.128 0.000 0.924 56 K CB 1.193 33.600 32.500 -0.154 0.000 1.028 56 K HN 0.586 nan 8.250 nan 0.000 0.466 57 F N -1.439 118.452 119.950 -0.097 0.000 2.849 57 F HA 0.517 5.044 4.527 -0.000 0.000 0.341 57 F C -1.289 174.196 175.800 -0.524 0.000 1.185 57 F CA -1.333 56.390 58.000 -0.461 0.000 1.007 57 F CB 0.772 39.681 39.000 -0.151 0.000 1.454 57 F HN 0.351 nan 8.300 nan 0.000 0.518 58 Y N 0.557 120.463 120.300 -0.658 0.000 2.359 58 Y HA 0.489 5.039 4.550 -0.000 0.000 0.336 58 Y C -1.170 174.734 175.900 0.008 0.000 1.098 58 Y CA -0.659 57.268 58.100 -0.289 0.000 1.272 58 Y CB 1.411 39.562 38.460 -0.516 0.000 1.112 58 Y HN 0.733 nan 8.280 nan 0.000 0.481 59 T N 7.207 121.875 114.554 0.190 0.000 2.744 59 T HA 0.598 4.948 4.350 -0.000 0.000 0.291 59 T C -0.746 174.039 174.700 0.140 0.000 0.957 59 T CA -0.368 61.835 62.100 0.173 0.000 1.002 59 T CB 0.233 69.196 68.868 0.158 0.000 0.919 59 T HN 0.519 nan 8.240 nan 0.000 0.468 60 L N 1.560 122.822 121.223 0.064 0.000 2.327 60 L HA 0.766 5.106 4.340 -0.000 0.000 0.258 60 L C -0.799 176.040 176.870 -0.051 0.000 1.024 60 L CA -1.056 53.775 54.840 -0.015 0.000 0.825 60 L CB 1.604 43.400 42.059 -0.438 0.000 1.386 60 L HN 0.406 nan 8.230 nan 0.000 0.417 61 Q N 0.671 120.470 119.800 -0.003 0.000 2.309 61 Q HA 0.381 4.721 4.340 -0.000 0.000 0.270 61 Q C -1.856 174.196 176.000 0.086 0.000 1.023 61 Q CA -0.284 55.560 55.803 0.068 0.000 0.758 61 Q CB 1.655 30.473 28.738 0.134 0.000 1.247 61 Q HN 0.644 nan 8.270 nan 0.000 0.455 62 W N 3.928 125.348 121.300 0.200 0.000 2.216 62 W HA 0.186 4.845 4.660 -0.000 0.000 0.326 62 W C 1.197 177.814 176.519 0.164 0.000 1.319 62 W CA -0.266 57.206 57.345 0.210 0.000 1.213 62 W CB 0.491 30.068 29.460 0.195 0.000 1.171 62 W HN 0.659 nan 8.180 nan 0.000 0.557 63 I N 0.390 121.185 120.570 0.375 0.000 4.225 63 I HA 0.401 4.571 4.170 -0.000 0.000 0.327 63 I C 0.287 176.513 176.117 0.182 0.000 1.422 63 I CA -0.210 61.219 61.300 0.215 0.000 1.150 63 I CB -0.204 37.854 38.000 0.097 0.000 1.192 63 I HN 0.275 nan 8.210 nan 0.000 0.440 64 S N 0.191 116.039 115.700 0.246 0.000 2.671 64 S HA 0.195 4.665 4.470 -0.000 0.000 0.270 64 S C -0.388 174.358 174.600 0.244 0.000 1.166 64 S CA 0.068 58.379 58.200 0.184 0.000 0.868 64 S CB 0.748 63.986 63.200 0.063 0.000 1.190 64 S HN 0.232 nan 8.310 nan 0.000 0.494 65 D N -0.049 120.508 120.400 0.263 0.000 2.349 65 D HA 0.070 4.710 4.640 -0.000 0.000 0.224 65 D C 1.064 177.644 176.300 0.467 0.000 1.029 65 D CA 1.180 55.347 54.000 0.279 0.000 0.879 65 D CB -0.426 40.520 40.800 0.245 0.000 0.906 65 D HN 0.804 nan 8.370 nan 0.000 0.528 66 H N -2.086 117.189 119.070 0.343 0.000 3.566 66 H HA 0.398 4.954 4.556 -0.000 0.000 0.259 66 H C -0.708 174.777 175.328 0.261 0.000 1.184 66 H CA -0.431 55.816 56.048 0.332 0.000 1.107 66 H CB -0.309 29.604 29.762 0.251 0.000 1.726 66 H HN 0.063 nan 8.280 nan 0.000 0.743 67 E N 1.021 121.247 120.200 0.044 0.000 2.312 67 E HA 0.487 4.837 4.350 -0.000 0.000 0.267 67 E C -1.556 175.177 176.600 0.223 0.000 0.894 67 E CA -1.238 55.150 56.400 -0.020 0.000 0.773 67 E CB 2.889 32.462 29.700 -0.211 0.000 1.241 67 E HN 0.291 nan 8.360 nan 0.000 0.432 68 Y N -0.757 119.532 120.300 -0.018 0.000 2.581 68 Y HA 0.551 5.101 4.550 -0.000 0.000 0.337 68 Y C -1.968 173.930 175.900 -0.003 0.000 1.108 68 Y CA -1.293 56.726 58.100 -0.135 0.000 1.033 68 Y CB 0.713 38.759 38.460 -0.691 0.000 1.318 68 Y HN 0.361 nan 8.280 nan 0.000 0.459 69 L N 3.431 124.809 121.223 0.257 0.000 2.343 69 L HA 0.536 4.876 4.340 -0.000 0.000 0.275 69 L C -1.317 175.839 176.870 0.477 0.000 1.056 69 L CA -1.070 53.915 54.840 0.242 0.000 0.804 69 L CB 1.625 43.747 42.059 0.105 0.000 1.203 69 L HN 0.803 nan 8.230 nan 0.000 0.440 70 Y N 2.210 122.698 120.300 0.314 0.000 2.362 70 Y HA 0.270 4.819 4.550 -0.000 0.000 0.326 70 Y C -0.604 175.404 175.900 0.180 0.000 1.083 70 Y CA -1.242 56.998 58.100 0.233 0.000 1.073 70 Y CB 1.502 40.111 38.460 0.249 0.000 1.211 70 Y HN 0.449 nan 8.280 nan 0.000 0.433 71 K N 5.429 125.563 120.400 -0.444 0.000 2.310 71 K HA 0.240 4.559 4.320 -0.000 0.000 0.290 71 K C -0.891 175.299 176.600 -0.683 0.000 1.077 71 K CA -0.232 55.842 56.287 -0.355 0.000 0.922 71 K CB 0.490 32.940 32.500 -0.084 0.000 1.057 71 K HN 0.819 nan 8.250 nan 0.000 0.479 72 Q N 4.394 123.994 119.800 -0.333 0.000 2.347 72 Q HA 0.110 4.449 4.340 -0.000 0.000 0.265 72 Q C -1.191 174.766 176.000 -0.073 0.000 1.024 72 Q CA -0.185 55.508 55.803 -0.183 0.000 0.731 72 Q CB 0.863 29.670 28.738 0.114 0.000 1.245 72 Q HN 0.779 nan 8.270 nan 0.000 0.472 73 E N 3.289 123.431 120.200 -0.097 0.000 2.553 73 E HA -0.312 4.038 4.350 -0.000 0.000 0.264 73 E C -0.448 176.113 176.600 -0.064 0.000 1.068 73 E CA 0.581 56.942 56.400 -0.065 0.000 0.774 73 E CB -1.083 28.603 29.700 -0.023 0.000 1.349 73 E HN 0.960 nan 8.360 nan 0.000 0.404 74 N N -1.409 117.222 118.700 -0.114 0.000 2.878 74 N HA -0.163 4.577 4.740 -0.000 0.000 0.247 74 N C -0.868 174.689 175.510 0.080 0.000 1.021 74 N CA 1.388 54.359 53.050 -0.131 0.000 0.873 74 N CB -0.977 37.439 38.487 -0.118 0.000 1.128 74 N HN 0.364 nan 8.380 nan 0.000 0.571 75 N N 0.474 119.200 118.700 0.044 0.000 2.361 75 N HA 0.541 5.281 4.740 -0.000 0.000 0.302 75 N C -0.153 175.386 175.510 0.047 0.000 1.074 75 N CA -0.325 52.775 53.050 0.083 0.000 0.850 75 N CB 1.414 39.925 38.487 0.040 0.000 1.228 75 N HN 0.093 nan 8.380 nan 0.000 0.491 76 I N 2.594 123.198 120.570 0.057 0.000 2.307 76 I HA 0.270 4.440 4.170 -0.000 0.000 0.289 76 I C -0.517 175.641 176.117 0.070 0.000 1.021 76 I CA -0.462 60.836 61.300 -0.003 0.000 1.224 76 I CB 0.399 38.342 38.000 -0.096 0.000 1.376 76 I HN 0.242 nan 8.210 nan 0.000 0.470 77 L N 6.502 127.772 121.223 0.079 0.000 2.334 77 L HA 0.502 4.841 4.340 -0.000 0.000 0.275 77 L C -0.558 176.266 176.870 -0.077 0.000 1.036 77 L CA -0.961 53.863 54.840 -0.028 0.000 0.807 77 L CB 1.943 43.930 42.059 -0.120 0.000 1.231 77 L HN 0.421 nan 8.230 nan 0.000 0.438 78 L N 2.531 123.621 121.223 -0.222 0.000 2.277 78 L HA 0.503 4.842 4.340 -0.000 0.000 0.284 78 L C -1.037 175.581 176.870 -0.420 0.000 1.028 78 L CA 0.236 54.950 54.840 -0.208 0.000 0.835 78 L CB 0.408 42.431 42.059 -0.060 0.000 1.215 78 L HN 0.185 nan 8.230 nan 0.000 0.425 79 F N 3.573 123.254 119.950 -0.447 0.000 2.399 79 F HA 0.415 4.942 4.527 -0.000 0.000 0.334 79 F C 0.822 176.304 175.800 -0.529 0.000 1.097 79 F CA -0.345 57.302 58.000 -0.588 0.000 1.076 79 F CB 1.111 39.460 39.000 -1.085 0.000 1.162 79 F HN 0.506 nan 8.300 nan 0.000 0.495 80 N N 1.980 120.599 118.700 -0.136 0.000 2.501 80 N HA 0.270 5.010 4.740 -0.000 0.000 0.245 80 N C 0.515 175.948 175.510 -0.129 0.000 0.974 80 N CA 0.003 52.998 53.050 -0.090 0.000 0.941 80 N CB 1.663 40.169 38.487 0.032 0.000 1.122 80 N HN 0.791 nan 8.380 nan 0.000 0.507 81 A N 4.028 126.733 122.820 -0.191 0.000 1.986 81 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 81 A C 1.777 179.072 177.584 -0.482 0.000 1.171 81 A CA 1.499 53.320 52.037 -0.359 0.000 0.640 81 A CB -0.247 18.346 19.000 -0.678 0.000 0.811 81 A HN 0.831 nan 8.150 nan 0.000 0.451 82 E N -1.281 118.631 120.200 -0.480 0.000 2.007 82 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 82 E C 1.539 177.944 176.600 -0.325 0.000 0.999 82 E CA 1.774 57.907 56.400 -0.445 0.000 0.811 82 E CB -0.355 28.868 29.700 -0.795 0.000 0.762 82 E HN 0.844 nan 8.360 nan 0.000 0.450 83 Y N -0.819 119.492 120.300 0.018 0.000 2.466 83 Y HA 0.305 4.855 4.550 -0.000 0.000 0.272 83 Y C 1.751 177.656 175.900 0.009 0.000 1.169 83 Y CA 0.240 58.350 58.100 0.017 0.000 1.285 83 Y CB 0.199 38.671 38.460 0.021 0.000 1.078 83 Y HN 0.219 nan 8.280 nan 0.000 0.523 84 G N 0.799 109.652 108.800 0.088 0.000 2.220 84 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.269 84 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.269 84 G C 0.283 175.261 174.900 0.131 0.000 0.977 84 G CA 0.444 45.596 45.100 0.088 0.000 0.634 84 G HN 0.515 nan 8.290 nan 0.000 0.539 85 N N 0.751 119.526 118.700 0.124 0.000 2.525 85 N HA 0.525 5.265 4.740 -0.000 0.000 0.271 85 N C 0.019 175.508 175.510 -0.034 0.000 1.194 85 N CA 0.589 53.677 53.050 0.063 0.000 0.964 85 N CB 1.476 40.001 38.487 0.064 0.000 1.126 85 N HN 0.891 nan 8.380 nan 0.000 0.452 86 S N -0.497 115.103 115.700 -0.166 0.000 2.634 86 S HA 0.792 5.262 4.470 -0.000 0.000 0.296 86 S C -0.649 173.772 174.600 -0.298 0.000 1.104 86 S CA -0.833 57.097 58.200 -0.450 0.000 0.920 86 S CB 1.224 63.719 63.200 -1.176 0.000 1.111 86 S HN 0.920 nan 8.310 nan 0.000 0.493 87 S N 0.301 115.824 115.700 -0.295 0.000 2.595 87 S HA 0.661 5.130 4.470 -0.000 0.000 0.281 87 S C -0.679 173.841 174.600 -0.133 0.000 1.117 87 S CA -1.046 57.059 58.200 -0.159 0.000 0.873 87 S CB 0.517 63.665 63.200 -0.086 0.000 1.108 87 S HN 0.758 nan 8.310 nan 0.000 0.477 88 I N 2.434 122.955 120.570 -0.081 0.000 2.533 88 I HA 0.168 4.337 4.170 -0.000 0.000 0.284 88 I C 0.407 176.528 176.117 0.006 0.000 1.109 88 I CA -0.122 61.154 61.300 -0.040 0.000 1.412 88 I CB 0.415 38.387 38.000 -0.047 0.000 1.396 88 I HN 0.811 nan 8.210 nan 0.000 0.543 89 F N 7.483 127.371 119.950 -0.103 0.000 2.505 89 F HA 0.334 4.861 4.527 -0.000 0.000 0.289 89 F C 0.131 175.878 175.800 -0.089 0.000 1.101 89 F CA 0.170 58.117 58.000 -0.088 0.000 1.446 89 F CB 0.621 39.573 39.000 -0.080 0.000 1.123 89 F HN 0.292 nan 8.300 nan 0.000 0.564 90 L N 1.340 122.589 121.223 0.043 0.000 2.676 90 L HA 0.273 4.612 4.340 -0.000 0.000 0.262 90 L C -0.826 175.995 176.870 -0.083 0.000 0.965 90 L CA -0.448 54.343 54.840 -0.082 0.000 0.920 90 L CB 1.329 43.360 42.059 -0.048 0.000 1.260 90 L HN -0.039 nan 8.230 nan 0.000 0.422 91 E N 1.678 121.810 120.200 -0.113 0.000 2.437 91 E HA -0.038 4.311 4.350 -0.000 0.000 0.263 91 E C 0.630 177.188 176.600 -0.071 0.000 1.030 91 E CA 0.582 56.935 56.400 -0.078 0.000 0.934 91 E CB 0.625 30.276 29.700 -0.082 0.000 0.943 91 E HN 0.701 nan 8.360 nan 0.000 0.444 92 N N 0.410 119.116 118.700 0.011 0.000 2.348 92 N HA -0.171 4.568 4.740 -0.000 0.000 0.185 92 N C 0.391 175.925 175.510 0.040 0.000 1.019 92 N CA 0.980 54.089 53.050 0.097 0.000 0.880 92 N CB -0.057 38.463 38.487 0.056 0.000 0.965 92 N HN 0.219 nan 8.380 nan 0.000 0.437 93 S N -2.341 113.332 115.700 -0.046 0.000 3.965 93 S HA 0.407 4.877 4.470 -0.000 0.000 0.195 93 S C 0.018 174.528 174.600 -0.150 0.000 1.449 93 S CA -0.534 57.621 58.200 -0.074 0.000 0.965 93 S CB 0.133 63.299 63.200 -0.057 0.000 1.459 93 S HN 0.274 nan 8.310 nan 0.000 0.476 94 T N -0.376 114.032 114.554 -0.243 0.000 3.285 94 T HA 0.172 4.521 4.350 -0.000 0.000 0.263 94 T C 0.455 174.863 174.700 -0.487 0.000 0.836 94 T CA -0.212 61.653 62.100 -0.392 0.000 0.849 94 T CB -0.406 68.106 68.868 -0.593 0.000 1.252 94 T HN 0.412 nan 8.240 nan 0.000 0.617 95 F N 2.875 122.634 119.950 -0.319 0.000 2.367 95 F HA 0.116 4.643 4.527 -0.000 0.000 0.298 95 F C 2.023 177.662 175.800 -0.268 0.000 1.094 95 F CA 0.327 58.095 58.000 -0.387 0.000 1.409 95 F CB -0.373 38.435 39.000 -0.321 0.000 1.064 95 F HN 0.112 nan 8.300 nan 0.000 0.528 96 D N 0.553 120.941 120.400 -0.019 0.000 2.218 96 D HA -0.196 4.444 4.640 -0.000 0.000 0.194 96 D C 0.740 176.997 176.300 -0.072 0.000 1.007 96 D CA 1.577 55.552 54.000 -0.040 0.000 0.879 96 D CB -0.424 40.348 40.800 -0.047 0.000 0.918 96 D HN 0.396 nan 8.370 nan 0.000 0.449 97 E N 0.301 120.434 120.200 -0.111 0.000 2.914 97 E HA 0.309 4.659 4.350 -0.000 0.000 0.246 97 E C -0.400 176.082 176.600 -0.196 0.000 1.146 97 E CA -0.352 55.969 56.400 -0.132 0.000 0.803 97 E CB 0.093 29.735 29.700 -0.095 0.000 1.409 97 E HN 0.177 nan 8.360 nan 0.000 0.392 98 L N 1.683 122.733 121.223 -0.289 0.000 3.186 98 L HA 0.467 4.807 4.340 -0.000 0.000 0.317 98 L C 0.987 177.393 176.870 -0.774 0.000 1.296 98 L CA -0.071 54.497 54.840 -0.453 0.000 0.870 98 L CB 0.646 42.437 42.059 -0.448 0.000 1.302 98 L HN 0.740 nan 8.230 nan 0.000 0.590 99 G N 0.352 108.781 108.800 -0.618 0.000 3.079 99 G HA2 -0.371 3.588 3.960 -0.000 0.000 0.214 99 G HA3 -0.371 3.588 3.960 -0.000 0.000 0.214 99 G C 0.036 174.460 174.900 -0.794 0.000 1.335 99 G CA 0.589 45.157 45.100 -0.888 0.000 0.822 99 G HN 0.376 nan 8.290 nan 0.000 0.545 100 Y N -1.903 118.309 120.300 -0.146 0.000 2.035 100 Y HA 0.640 5.190 4.550 -0.000 0.000 0.227 100 Y C 0.644 176.493 175.900 -0.085 0.000 1.708 100 Y CA -0.424 57.630 58.100 -0.075 0.000 1.022 100 Y CB -0.655 37.796 38.460 -0.015 0.000 4.222 100 Y HN 0.473 nan 8.280 nan 0.000 0.218 101 S N 1.239 117.133 115.700 0.324 0.000 2.533 101 S HA 0.397 4.866 4.470 -0.000 0.000 0.282 101 S C -0.356 174.322 174.600 0.130 0.000 1.304 101 S CA -0.091 58.180 58.200 0.118 0.000 1.063 101 S CB 0.382 63.606 63.200 0.039 0.000 0.881 101 S HN 0.434 nan 8.310 nan 0.000 0.493 102 T N 4.146 118.692 114.554 -0.014 0.000 3.145 102 T HA 0.122 4.472 4.350 -0.000 0.000 0.362 102 T C 1.580 176.249 174.700 -0.051 0.000 1.340 102 T CA -0.788 61.315 62.100 0.004 0.000 1.069 102 T CB -0.127 68.695 68.868 -0.077 0.000 1.129 102 T HN 0.723 nan 8.240 nan 0.000 0.585 103 N N 1.911 120.610 118.700 -0.001 0.000 2.443 103 N HA -0.086 4.654 4.740 -0.000 0.000 0.184 103 N C -0.010 175.476 175.510 -0.040 0.000 1.037 103 N CA 0.906 53.907 53.050 -0.080 0.000 0.896 103 N CB 0.309 38.691 38.487 -0.177 0.000 0.959 103 N HN 0.436 nan 8.380 nan 0.000 0.442 104 D N -1.442 119.003 120.400 0.075 0.000 2.648 104 D HA 0.279 4.919 4.640 -0.000 0.000 0.244 104 D C -1.659 174.846 176.300 0.341 0.000 1.244 104 D CA -0.578 53.495 54.000 0.122 0.000 0.772 104 D CB 1.403 42.243 40.800 0.067 0.000 1.379 104 D HN 0.143 nan 8.370 nan 0.000 0.428 105 Y N -0.936 119.539 120.300 0.293 0.000 2.581 105 Y HA 0.768 5.318 4.550 -0.000 0.000 0.345 105 Y C -1.183 174.905 175.900 0.313 0.000 1.036 105 Y CA -0.974 57.370 58.100 0.408 0.000 1.042 105 Y CB 1.890 40.667 38.460 0.527 0.000 1.289 105 Y HN 0.129 nan 8.280 nan 0.000 0.471 106 S N 2.241 118.237 115.700 0.493 0.000 2.750 106 S HA 0.593 5.063 4.470 -0.000 0.000 0.276 106 S C -1.894 173.064 174.600 0.598 0.000 1.165 106 S CA -0.584 57.873 58.200 0.429 0.000 1.047 106 S CB 0.629 64.029 63.200 0.332 0.000 1.056 106 S HN 0.723 nan 8.310 nan 0.000 0.481 107 V N 5.161 125.337 119.914 0.436 0.000 2.465 107 V HA 0.456 4.575 4.120 -0.000 0.000 0.279 107 V C 0.878 176.901 176.094 -0.118 0.000 1.045 107 V CA -0.549 61.889 62.300 0.230 0.000 0.938 107 V CB 1.342 33.241 31.823 0.128 0.000 0.986 107 V HN 1.012 nan 8.190 nan 0.000 0.467 108 S N 6.865 122.136 115.700 -0.715 0.000 2.566 108 S HA 0.132 4.602 4.470 -0.000 0.000 0.280 108 S C -1.099 173.224 174.600 -0.463 0.000 1.343 108 S CA -0.541 56.846 58.200 -1.355 0.000 1.036 108 S CB 0.602 62.782 63.200 -1.701 0.000 0.866 108 S HN 0.676 nan 8.310 nan 0.000 0.526 109 P HA -0.125 nan 4.420 nan 0.000 0.218 109 P C 0.659 177.914 177.300 -0.075 0.000 1.149 109 P CA 1.423 64.457 63.100 -0.109 0.000 0.817 109 P CB -0.248 31.416 31.700 -0.060 0.000 0.785 110 D N -0.813 119.531 120.400 -0.094 0.000 2.349 110 D HA -0.063 4.577 4.640 -0.000 0.000 0.224 110 D C 0.687 176.967 176.300 -0.034 0.000 1.029 110 D CA -0.224 53.758 54.000 -0.030 0.000 0.879 110 D CB -0.716 40.100 40.800 0.027 0.000 0.906 110 D HN -0.008 nan 8.370 nan 0.000 0.528 111 R N -1.072 119.396 120.500 -0.054 0.000 3.953 111 R HA -0.233 4.107 4.340 -0.000 0.000 0.340 111 R C 1.098 177.358 176.300 -0.066 0.000 1.195 111 R CA 1.275 57.386 56.100 0.018 0.000 0.929 111 R CB -2.265 28.103 30.300 0.112 0.000 1.402 111 R HN 0.350 nan 8.270 nan 0.000 0.540 112 Q N -1.145 118.537 119.800 -0.197 0.000 2.354 112 Q HA 0.133 4.473 4.340 -0.000 0.000 0.203 112 Q C -0.117 175.376 176.000 -0.846 0.000 0.933 112 Q CA 0.806 56.306 55.803 -0.504 0.000 0.901 112 Q CB 0.393 28.787 28.738 -0.573 0.000 1.007 112 Q HN 0.196 nan 8.270 nan 0.000 0.495 113 F N -0.930 118.898 119.950 -0.203 0.000 2.650 113 F HA 0.557 5.084 4.527 -0.000 0.000 0.320 113 F C -0.617 175.185 175.800 0.002 0.000 1.091 113 F CA -1.172 56.767 58.000 -0.100 0.000 0.962 113 F CB 1.660 40.630 39.000 -0.050 0.000 1.363 113 F HN -0.243 nan 8.300 nan 0.000 0.482 114 I N 1.576 122.368 120.570 0.370 0.000 2.722 114 I HA 0.514 4.684 4.170 -0.000 0.000 0.295 114 I C -2.070 174.163 176.117 0.194 0.000 1.161 114 I CA -0.908 60.561 61.300 0.281 0.000 1.032 114 I CB 1.822 39.873 38.000 0.084 0.000 1.244 114 I HN 0.426 nan 8.210 nan 0.000 0.421 115 L N 7.256 128.662 121.223 0.305 0.000 2.307 115 L HA 0.544 4.883 4.340 -0.000 0.000 0.284 115 L C -1.329 175.688 176.870 0.245 0.000 1.023 115 L CA 0.054 55.012 54.840 0.197 0.000 0.810 115 L CB 1.290 43.448 42.059 0.164 0.000 1.231 115 L HN 0.365 nan 8.230 nan 0.000 0.423 116 F N 3.034 123.218 119.950 0.391 0.000 2.402 116 F HA 0.375 4.902 4.527 -0.000 0.000 0.355 116 F C 0.397 176.402 175.800 0.342 0.000 1.123 116 F CA -0.769 57.458 58.000 0.377 0.000 1.021 116 F CB 1.523 40.707 39.000 0.306 0.000 1.160 116 F HN 0.430 nan 8.300 nan 0.000 0.451 117 E N 5.041 125.505 120.200 0.440 0.000 2.174 117 E HA 0.367 4.717 4.350 -0.000 0.000 0.282 117 E C -1.547 175.136 176.600 0.139 0.000 0.992 117 E CA -0.508 55.900 56.400 0.013 0.000 0.803 117 E CB 1.197 30.929 29.700 0.053 0.000 1.090 117 E HN 0.586 nan 8.360 nan 0.000 0.396 118 Y N 1.830 122.053 120.300 -0.127 0.000 2.725 118 Y HA 0.391 4.941 4.550 -0.000 0.000 0.333 118 Y C -0.310 175.641 175.900 0.085 0.000 1.242 118 Y CA -1.394 56.729 58.100 0.039 0.000 1.059 118 Y CB 0.486 39.005 38.460 0.098 0.000 1.306 118 Y HN 0.598 nan 8.280 nan 0.000 0.454 119 N N -0.109 118.774 118.700 0.305 0.000 2.783 119 N HA -0.278 4.462 4.740 -0.000 0.000 0.247 119 N C -1.366 174.164 175.510 0.032 0.000 1.089 119 N CA 0.734 53.891 53.050 0.179 0.000 0.690 119 N CB -1.592 36.940 38.487 0.075 0.000 0.991 119 N HN 0.885 nan 8.380 nan 0.000 0.552 120 Y N -0.012 120.232 120.300 -0.094 0.000 2.632 120 Y HA 0.321 4.871 4.550 -0.000 0.000 0.329 120 Y C 0.072 175.923 175.900 -0.081 0.000 1.174 120 Y CA 0.277 58.298 58.100 -0.131 0.000 1.469 120 Y CB 0.586 38.919 38.460 -0.212 0.000 1.242 120 Y HN 0.040 nan 8.280 nan 0.000 0.540 121 V N 8.065 127.820 119.914 -0.266 0.000 2.357 121 V HA 0.181 4.301 4.120 -0.000 0.000 0.281 121 V C -0.187 175.733 176.094 -0.291 0.000 1.015 121 V CA -1.362 60.835 62.300 -0.171 0.000 0.827 121 V CB 1.138 32.900 31.823 -0.101 0.000 1.018 121 V HN 0.711 nan 8.190 nan 0.000 0.432 122 K N 3.619 123.898 120.400 -0.202 0.000 2.414 122 K HA 0.209 4.529 4.320 -0.000 0.000 0.272 122 K C 0.346 176.839 176.600 -0.179 0.000 0.993 122 K CA 0.300 56.506 56.287 -0.135 0.000 0.964 122 K CB 1.199 33.749 32.500 0.084 0.000 0.925 122 K HN 0.808 nan 8.250 nan 0.000 0.487 123 Q N 2.508 122.161 119.800 -0.244 0.000 2.489 123 Q HA 0.181 4.521 4.340 -0.000 0.000 0.202 123 Q C -0.001 175.826 176.000 -0.288 0.000 0.853 123 Q CA -0.489 54.978 55.803 -0.561 0.000 0.539 123 Q CB 0.193 28.379 28.738 -0.920 0.000 3.308 123 Q HN 0.739 nan 8.270 nan 0.000 0.362 124 W N 0.461 121.761 121.300 -0.001 0.000 1.705 124 W HA 0.374 5.034 4.660 -0.000 0.000 0.634 124 W C 1.882 178.400 176.519 -0.002 0.000 1.570 124 W CA -0.685 56.692 57.345 0.053 0.000 1.631 124 W CB -0.135 29.322 29.460 -0.006 0.000 3.266 124 W HN 0.294 nan 8.180 nan 0.000 0.778 125 R N -0.636 119.980 120.500 0.194 0.000 2.073 125 R HA -0.121 4.219 4.340 -0.000 0.000 0.229 125 R C 1.792 177.962 176.300 -0.217 0.000 1.120 125 R CA 1.588 57.636 56.100 -0.087 0.000 0.967 125 R CB -0.353 29.761 30.300 -0.309 0.000 0.862 125 R HN 0.488 nan 8.270 nan 0.000 0.436 126 H N -1.049 118.089 119.070 0.114 0.000 2.695 126 H HA 0.153 4.709 4.556 -0.000 0.000 0.267 126 H C 0.721 176.108 175.328 0.099 0.000 0.973 126 H CA 0.515 56.647 56.048 0.140 0.000 1.223 126 H CB 0.231 30.060 29.762 0.111 0.000 1.442 126 H HN 0.148 nan 8.280 nan 0.000 0.478 127 S N 1.237 116.895 115.700 -0.070 0.000 2.593 127 S HA 0.359 4.829 4.470 -0.000 0.000 0.269 127 S C -0.306 174.086 174.600 -0.347 0.000 1.334 127 S CA -0.406 57.423 58.200 -0.619 0.000 1.015 127 S CB 0.722 63.010 63.200 -1.520 0.000 0.912 127 S HN 0.452 nan 8.310 nan 0.000 0.541 128 Y N -2.666 117.418 120.300 -0.360 0.000 2.765 128 Y HA 0.589 5.139 4.550 -0.000 0.000 0.350 128 Y C -0.864 174.944 175.900 -0.154 0.000 1.196 128 Y CA -0.839 57.043 58.100 -0.363 0.000 1.119 128 Y CB 0.337 38.407 38.460 -0.649 0.000 1.368 128 Y HN 0.940 nan 8.280 nan 0.000 0.463 129 T N 0.059 114.639 114.554 0.045 0.000 2.932 129 T HA 1.030 5.380 4.350 -0.000 0.000 0.289 129 T C -0.461 174.312 174.700 0.121 0.000 1.039 129 T CA -0.071 62.093 62.100 0.106 0.000 1.024 129 T CB 1.779 70.677 68.868 0.048 0.000 1.090 129 T HN 1.946 nan 8.240 nan 0.000 0.496 130 A N 1.013 123.904 122.820 0.118 0.000 2.581 130 A HA 0.785 5.105 4.320 -0.000 0.000 0.290 130 A C -0.590 176.836 177.584 -0.263 0.000 1.119 130 A CA -0.978 50.994 52.037 -0.108 0.000 0.670 130 A CB 1.126 20.018 19.000 -0.178 0.000 1.280 130 A HN 0.865 nan 8.150 nan 0.000 0.425 131 S N -0.665 114.657 115.700 -0.631 0.000 2.593 131 S HA 0.803 5.273 4.470 -0.000 0.000 0.297 131 S C -1.560 172.499 174.600 -0.902 0.000 1.112 131 S CA -0.066 57.717 58.200 -0.695 0.000 1.043 131 S CB 0.674 63.279 63.200 -0.991 0.000 1.054 131 S HN 0.442 nan 8.310 nan 0.000 0.516 132 Y N 0.185 120.361 120.300 -0.207 0.000 2.492 132 Y HA 0.456 5.006 4.550 -0.000 0.000 0.346 132 Y C -0.411 175.578 175.900 0.147 0.000 0.997 132 Y CA -0.989 57.123 58.100 0.021 0.000 1.025 132 Y CB 1.649 40.049 38.460 -0.100 0.000 1.263 132 Y HN 0.475 nan 8.280 nan 0.000 0.454 133 D N 2.677 123.333 120.400 0.427 0.000 2.481 133 D HA 0.520 5.160 4.640 -0.000 0.000 0.244 133 D C -0.783 175.649 176.300 0.221 0.000 1.057 133 D CA -0.307 53.884 54.000 0.318 0.000 0.848 133 D CB 2.451 43.483 40.800 0.388 0.000 1.388 133 D HN 0.408 nan 8.370 nan 0.000 0.475 134 I N 2.028 122.681 120.570 0.138 0.000 2.336 134 I HA 0.234 4.403 4.170 -0.000 0.000 0.292 134 I C -0.770 175.457 176.117 0.183 0.000 0.991 134 I CA -0.934 60.439 61.300 0.121 0.000 1.227 134 I CB 1.133 39.163 38.000 0.051 0.000 1.366 134 I HN 0.228 nan 8.210 nan 0.000 0.466 135 Y N 5.602 125.904 120.300 0.003 0.000 2.328 135 Y HA 0.255 4.805 4.550 -0.000 0.000 0.337 135 Y C -0.048 175.917 175.900 0.108 0.000 0.966 135 Y CA -0.722 57.383 58.100 0.008 0.000 1.136 135 Y CB 1.068 39.432 38.460 -0.159 0.000 1.170 135 Y HN 0.497 nan 8.280 nan 0.000 0.470 136 D N 6.676 126.920 120.400 -0.260 0.000 2.344 136 D HA 0.047 4.687 4.640 -0.000 0.000 0.253 136 D C 0.858 176.846 176.300 -0.519 0.000 1.255 136 D CA 0.428 54.256 54.000 -0.287 0.000 0.894 136 D CB 0.820 41.497 40.800 -0.205 0.000 1.067 136 D HN 0.876 nan 8.370 nan 0.000 0.492 137 L N 3.528 124.519 121.223 -0.387 0.000 2.275 137 L HA -0.147 4.193 4.340 -0.000 0.000 0.215 137 L C 2.033 178.716 176.870 -0.312 0.000 1.119 137 L CA 0.432 55.114 54.840 -0.263 0.000 0.790 137 L CB -0.251 41.664 42.059 -0.240 0.000 0.919 137 L HN 0.360 nan 8.230 nan 0.000 0.443 138 N N 1.312 119.782 118.700 -0.383 0.000 2.131 138 N HA -0.134 4.606 4.740 -0.000 0.000 0.190 138 N C 1.504 176.870 175.510 -0.240 0.000 1.055 138 N CA 1.289 54.162 53.050 -0.294 0.000 0.853 138 N CB -0.293 38.011 38.487 -0.306 0.000 1.035 138 N HN 0.383 nan 8.380 nan 0.000 0.440 139 K N 1.706 121.958 120.400 -0.246 0.000 2.611 139 K HA 0.116 4.436 4.320 -0.000 0.000 0.193 139 K C -0.226 176.235 176.600 -0.231 0.000 1.026 139 K CA 0.073 56.243 56.287 -0.196 0.000 1.063 139 K CB -0.135 32.267 32.500 -0.163 0.000 0.839 139 K HN 0.061 nan 8.250 nan 0.000 0.505 140 R N 1.373 121.694 120.500 -0.298 0.000 3.211 140 R HA -0.227 4.113 4.340 -0.000 0.000 0.240 140 R C -0.618 175.424 176.300 -0.430 0.000 0.915 140 R CA 0.902 56.802 56.100 -0.334 0.000 0.621 140 R CB -1.691 28.561 30.300 -0.080 0.000 1.008 140 R HN 0.634 nan 8.270 nan 0.000 0.471 141 Q N -0.212 119.227 119.800 -0.602 0.000 2.852 141 Q HA 0.678 5.018 4.340 -0.000 0.000 0.262 141 Q C -0.451 175.243 176.000 -0.510 0.000 1.051 141 Q CA -1.095 54.478 55.803 -0.383 0.000 0.894 141 Q CB 1.566 30.185 28.738 -0.200 0.000 1.381 141 Q HN 0.259 nan 8.270 nan 0.000 0.501 142 L N 1.652 122.796 121.223 -0.133 0.000 2.372 142 L HA 0.407 4.747 4.340 -0.000 0.000 0.273 142 L C -1.241 175.642 176.870 0.022 0.000 0.989 142 L CA -0.952 53.908 54.840 0.033 0.000 0.841 142 L CB 0.999 43.171 42.059 0.188 0.000 1.225 142 L HN 0.537 nan 8.230 nan 0.000 0.414 143 I N 4.212 124.800 120.570 0.030 0.000 2.828 143 I HA -0.095 4.075 4.170 -0.000 0.000 0.292 143 I C 1.574 177.703 176.117 0.020 0.000 1.206 143 I CA 1.038 62.350 61.300 0.020 0.000 1.420 143 I CB 0.947 38.956 38.000 0.016 0.000 1.368 143 I HN 0.736 nan 8.210 nan 0.000 0.556 144 T N 1.640 116.197 114.554 0.004 0.000 2.978 144 T HA 0.150 4.499 4.350 -0.000 0.000 0.248 144 T C 0.503 175.196 174.700 -0.012 0.000 1.018 144 T CA -0.373 61.727 62.100 0.001 0.000 1.026 144 T CB 0.026 68.894 68.868 0.000 0.000 1.032 144 T HN 0.582 nan 8.240 nan 0.000 0.485 145 E N 1.945 122.135 120.200 -0.017 0.000 2.248 145 E HA 0.220 4.570 4.350 -0.000 0.000 0.272 145 E C -0.677 175.901 176.600 -0.036 0.000 1.008 145 E CA -0.515 55.871 56.400 -0.024 0.000 0.856 145 E CB 0.723 30.413 29.700 -0.017 0.000 1.120 145 E HN 0.131 nan 8.360 nan 0.000 0.397 146 E N 0.902 121.075 120.200 -0.045 0.000 2.252 146 E HA -0.209 4.141 4.350 -0.000 0.000 0.218 146 E C -0.427 176.121 176.600 -0.087 0.000 1.253 146 E CA 0.653 57.017 56.400 -0.060 0.000 0.705 146 E CB -1.268 28.408 29.700 -0.040 0.000 1.172 146 E HN 0.560 nan 8.360 nan 0.000 0.369 147 R N -0.322 120.117 120.500 -0.100 0.000 2.726 147 R HA 0.412 4.752 4.340 -0.000 0.000 0.272 147 R C 1.167 177.335 176.300 -0.221 0.000 1.097 147 R CA -0.518 55.509 56.100 -0.121 0.000 1.198 147 R CB 0.494 30.745 30.300 -0.082 0.000 1.114 147 R HN 0.095 nan 8.270 nan 0.000 0.550 148 I N 2.636 123.046 120.570 -0.266 0.000 2.441 148 I HA 0.121 4.291 4.170 -0.000 0.000 0.287 148 I C -1.755 174.094 176.117 -0.447 0.000 1.049 148 I CA -1.940 59.065 61.300 -0.491 0.000 1.381 148 I CB 0.810 38.509 38.000 -0.501 0.000 1.409 148 I HN 0.269 nan 8.210 nan 0.000 0.523 149 P HA -0.035 nan 4.420 nan 0.000 0.271 149 P C -0.847 176.269 177.300 -0.308 0.000 1.228 149 P CA -0.086 62.627 63.100 -0.645 0.000 0.797 149 P CB 0.391 31.269 31.700 -1.370 0.000 0.914 150 N N 1.608 120.216 118.700 -0.153 0.000 2.509 150 N HA 0.198 4.938 4.740 -0.000 0.000 0.287 150 N C -0.245 175.383 175.510 0.197 0.000 1.121 150 N CA -0.070 52.985 53.050 0.009 0.000 0.977 150 N CB -0.087 38.420 38.487 0.033 0.000 1.167 150 N HN 0.325 nan 8.380 nan 0.000 0.476 151 N N -0.479 118.311 118.700 0.149 0.000 2.815 151 N HA -0.165 4.575 4.740 -0.000 0.000 0.249 151 N C -1.049 174.642 175.510 0.301 0.000 1.114 151 N CA 0.579 53.743 53.050 0.191 0.000 0.717 151 N CB -1.889 36.715 38.487 0.195 0.000 1.074 151 N HN 0.468 nan 8.380 nan 0.000 0.555 152 T N 0.905 115.632 114.554 0.288 0.000 2.870 152 T HA 0.095 4.445 4.350 -0.000 0.000 0.300 152 T C 1.720 176.587 174.700 0.279 0.000 0.989 152 T CA 0.153 62.441 62.100 0.313 0.000 1.139 152 T CB 1.202 70.169 68.868 0.164 0.000 0.920 152 T HN 0.165 nan 8.240 nan 0.000 0.537 153 Q N 1.896 121.852 119.800 0.260 0.000 2.212 153 Q HA 0.128 4.468 4.340 -0.000 0.000 0.199 153 Q C 0.170 176.341 176.000 0.284 0.000 0.950 153 Q CA 0.543 56.505 55.803 0.265 0.000 0.863 153 Q CB 0.623 29.480 28.738 0.199 0.000 0.944 153 Q HN 0.695 nan 8.270 nan 0.000 0.465 154 W N -0.326 120.971 121.300 -0.006 0.000 3.464 154 W HA 0.526 5.186 4.660 -0.000 0.000 0.292 154 W C -2.334 174.135 176.519 -0.082 0.000 1.262 154 W CA -0.710 56.592 57.345 -0.072 0.000 1.202 154 W CB 1.010 30.371 29.460 -0.165 0.000 1.334 154 W HN -0.092 nan 8.180 nan 0.000 0.561 155 I N 4.034 123.991 120.570 -1.022 0.000 2.841 155 I HA 0.603 4.772 4.170 -0.000 0.000 0.298 155 I C -1.652 173.993 176.117 -0.786 0.000 1.304 155 I CA -0.012 60.861 61.300 -0.713 0.000 1.019 155 I CB 2.523 40.004 38.000 -0.865 0.000 1.282 155 I HN 0.367 nan 8.210 nan 0.000 0.432 156 T N 4.586 118.940 114.554 -0.333 0.000 3.047 156 T HA 0.419 4.769 4.350 -0.000 0.000 0.340 156 T C -1.645 173.073 174.700 0.030 0.000 1.421 156 T CA -0.302 61.728 62.100 -0.115 0.000 1.090 156 T CB 0.627 69.634 68.868 0.232 0.000 1.292 156 T HN 0.550 nan 8.240 nan 0.000 0.480 157 W N 2.650 123.979 121.300 0.048 0.000 2.086 157 W HA 0.501 5.161 4.660 -0.000 0.000 0.355 157 W C 1.200 177.550 176.519 -0.283 0.000 1.313 157 W CA -0.549 56.758 57.345 -0.063 0.000 1.358 157 W CB 0.584 30.019 29.460 -0.041 0.000 1.166 157 W HN 0.787 nan 8.180 nan 0.000 0.630 158 S N 0.514 115.960 115.700 -0.424 0.000 2.614 158 S HA 0.209 4.679 4.470 -0.000 0.000 0.265 158 S C -1.950 172.441 174.600 -0.349 0.000 1.303 158 S CA -1.053 56.470 58.200 -1.129 0.000 1.000 158 S CB 0.908 63.218 63.200 -1.484 0.000 0.935 158 S HN 0.242 nan 8.310 nan 0.000 0.551 159 P HA 0.017 nan 4.420 nan 0.000 0.222 159 P C 0.272 177.537 177.300 -0.059 0.000 1.147 159 P CA 0.825 63.903 63.100 -0.036 0.000 0.790 159 P CB -0.146 31.566 31.700 0.020 0.000 0.780 160 V N -7.206 112.625 119.914 -0.139 0.000 3.160 160 V HA 0.881 5.001 4.120 -0.000 0.000 0.310 160 V C 0.488 176.476 176.094 -0.177 0.000 1.181 160 V CA -0.414 61.816 62.300 -0.116 0.000 1.047 160 V CB 1.042 32.812 31.823 -0.089 0.000 1.068 160 V HN 0.349 nan 8.190 nan 0.000 0.441 161 G N 1.524 110.236 108.800 -0.146 0.000 2.564 161 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.273 161 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.273 161 G C 0.239 175.031 174.900 -0.181 0.000 1.242 161 G CA 0.850 45.827 45.100 -0.205 0.000 0.951 161 G HN 2.571 nan 8.290 nan 0.000 0.564 162 H N -0.518 118.512 119.070 -0.067 0.000 2.907 162 H HA 0.434 4.990 4.556 -0.000 0.000 0.233 162 H C 0.369 175.827 175.328 0.217 0.000 1.285 162 H CA -0.160 55.871 56.048 -0.029 0.000 0.981 162 H CB -0.164 29.603 29.762 0.009 0.000 2.255 162 H HN 0.514 nan 8.280 nan 0.000 0.601 163 K N 1.458 121.869 120.400 0.018 0.000 2.180 163 K HA 0.517 4.836 4.320 -0.000 0.000 0.251 163 K C -0.374 176.330 176.600 0.172 0.000 1.014 163 K CA -0.379 55.923 56.287 0.024 0.000 0.913 163 K CB 1.491 33.843 32.500 -0.247 0.000 1.008 163 K HN 0.129 nan 8.250 nan 0.000 0.490 164 L N 0.564 121.890 121.223 0.173 0.000 2.409 164 L HA 0.605 4.945 4.340 -0.000 0.000 0.262 164 L C -1.173 175.879 176.870 0.305 0.000 0.992 164 L CA -0.860 54.045 54.840 0.107 0.000 0.817 164 L CB 2.241 44.212 42.059 -0.148 0.000 1.350 164 L HN 0.728 nan 8.230 nan 0.000 0.411 165 A N 2.231 125.242 122.820 0.318 0.000 2.422 165 A HA 0.867 5.187 4.320 -0.000 0.000 0.302 165 A C -1.744 175.919 177.584 0.130 0.000 1.041 165 A CA -0.389 51.761 52.037 0.188 0.000 0.708 165 A CB 1.467 20.550 19.000 0.138 0.000 1.257 165 A HN 0.671 nan 8.150 nan 0.000 0.414 166 Y N -0.922 119.370 120.300 -0.012 0.000 2.638 166 Y HA 0.750 5.300 4.550 -0.000 0.000 0.335 166 Y C -1.406 174.537 175.900 0.072 0.000 1.155 166 Y CA -1.543 56.536 58.100 -0.034 0.000 1.046 166 Y CB 0.997 39.364 38.460 -0.156 0.000 1.303 166 Y HN 0.453 nan 8.280 nan 0.000 0.460 167 V N 1.995 122.082 119.914 0.288 0.000 2.495 167 V HA 0.403 4.523 4.120 -0.000 0.000 0.298 167 V C -1.483 174.851 176.094 0.401 0.000 1.031 167 V CA -0.579 61.855 62.300 0.223 0.000 0.871 167 V CB 1.387 33.252 31.823 0.070 0.000 0.988 167 V HN 0.867 nan 8.190 nan 0.000 0.432 168 W N 5.097 126.521 121.300 0.207 0.000 3.042 168 W HA 0.470 5.130 4.660 -0.001 0.000 0.337 168 W C 0.231 176.819 176.519 0.114 0.000 1.086 168 W CA -0.759 56.674 57.345 0.147 0.000 1.236 168 W CB 1.204 30.724 29.460 0.101 0.000 1.381 168 W HN 0.786 nan 8.180 nan 0.000 0.472 169 N N 5.342 123.674 118.700 -0.612 0.000 2.735 169 N HA -0.343 4.397 4.740 -0.000 0.000 0.248 169 N C 0.167 175.497 175.510 -0.299 0.000 1.083 169 N CA 1.087 53.764 53.050 -0.622 0.000 0.703 169 N CB -1.158 36.697 38.487 -1.054 0.000 1.005 169 N HN 0.874 nan 8.380 nan 0.000 0.550 170 N N -1.684 116.912 118.700 -0.173 0.000 2.828 170 N HA -0.172 4.568 4.740 -0.000 0.000 0.248 170 N C -1.354 174.079 175.510 -0.129 0.000 1.044 170 N CA 1.066 54.036 53.050 -0.132 0.000 0.851 170 N CB -0.288 38.068 38.487 -0.218 0.000 1.136 170 N HN 0.421 nan 8.380 nan 0.000 0.572 171 D N 0.324 120.663 120.400 -0.102 0.000 2.419 171 D HA 0.496 5.136 4.640 -0.000 0.000 0.234 171 D C 0.094 176.243 176.300 -0.252 0.000 1.014 171 D CA -0.371 53.490 54.000 -0.232 0.000 0.919 171 D CB 1.656 42.263 40.800 -0.321 0.000 1.366 171 D HN 0.016 nan 8.370 nan 0.000 0.490 172 I N 1.323 121.570 120.570 -0.539 0.000 2.385 172 I HA 0.283 4.453 4.170 -0.000 0.000 0.294 172 I C -0.775 174.853 176.117 -0.815 0.000 0.988 172 I CA -0.546 60.425 61.300 -0.549 0.000 1.265 172 I CB 0.693 38.295 38.000 -0.663 0.000 1.388 172 I HN 0.159 nan 8.210 nan 0.000 0.480 173 Y N 3.874 123.780 120.300 -0.657 0.000 2.512 173 Y HA 0.634 5.184 4.550 -0.000 0.000 0.348 173 Y C -0.393 175.156 175.900 -0.585 0.000 0.990 173 Y CA -0.934 56.732 58.100 -0.723 0.000 1.033 173 Y CB 2.139 39.897 38.460 -1.170 0.000 1.259 173 Y HN 0.113 nan 8.280 nan 0.000 0.461 174 V N 2.840 122.641 119.914 -0.188 0.000 2.588 174 V HA 0.479 4.599 4.120 -0.000 0.000 0.304 174 V C -0.902 175.225 176.094 0.054 0.000 1.042 174 V CA -1.421 60.861 62.300 -0.030 0.000 0.877 174 V CB 1.995 33.821 31.823 0.005 0.000 0.996 174 V HN 0.621 nan 8.190 nan 0.000 0.425 175 K N 3.252 123.723 120.400 0.118 0.000 2.450 175 K HA 0.448 4.768 4.320 -0.000 0.000 0.257 175 K C 0.467 177.133 176.600 0.110 0.000 0.953 175 K CA -0.336 56.013 56.287 0.103 0.000 0.844 175 K CB 1.670 34.227 32.500 0.094 0.000 1.103 175 K HN 0.615 nan 8.250 nan 0.000 0.429 176 N N 1.389 120.145 118.700 0.092 0.000 2.331 176 N HA -0.079 4.661 4.740 -0.000 0.000 0.180 176 N C -0.374 175.200 175.510 0.108 0.000 1.019 176 N CA 0.777 53.877 53.050 0.083 0.000 0.881 176 N CB 0.413 38.939 38.487 0.064 0.000 0.972 176 N HN 0.437 nan 8.380 nan 0.000 0.435 177 E N -0.665 119.588 120.200 0.088 0.000 2.272 177 E HA 0.187 4.537 4.350 -0.000 0.000 0.269 177 E C -2.020 174.552 176.600 -0.046 0.000 0.877 177 E CA -1.901 54.540 56.400 0.068 0.000 0.755 177 E CB 1.969 31.710 29.700 0.068 0.000 1.192 177 E HN -0.148 nan 8.360 nan 0.000 0.422 178 P HA -0.181 nan 4.420 nan 0.000 0.217 178 P C 0.831 178.048 177.300 -0.138 0.000 1.148 178 P CA 1.368 64.307 63.100 -0.268 0.000 0.828 178 P CB 0.321 31.628 31.700 -0.655 0.000 0.783 179 N N -1.998 116.647 118.700 -0.092 0.000 2.299 179 N HA -0.001 4.739 4.740 -0.000 0.000 0.187 179 N C 0.365 175.864 175.510 -0.019 0.000 1.099 179 N CA 0.328 53.355 53.050 -0.039 0.000 0.867 179 N CB -0.108 38.372 38.487 -0.012 0.000 0.974 179 N HN 0.105 nan 8.380 nan 0.000 0.477 180 L N 1.433 122.650 121.223 -0.011 0.000 2.416 180 L HA 0.300 4.640 4.340 -0.000 0.000 0.262 180 L C 0.434 177.309 176.870 0.009 0.000 1.093 180 L CA -0.299 54.546 54.840 0.008 0.000 0.801 180 L CB 1.432 43.506 42.059 0.025 0.000 1.191 180 L HN 0.002 nan 8.230 nan 0.000 0.459 181 S N 0.712 116.422 115.700 0.016 0.000 2.549 181 S HA 0.117 4.587 4.470 -0.000 0.000 0.283 181 S C 0.378 175.003 174.600 0.042 0.000 1.320 181 S CA -0.520 57.692 58.200 0.021 0.000 1.058 181 S CB 0.664 63.878 63.200 0.024 0.000 0.882 181 S HN 0.683 nan 8.310 nan 0.000 0.498 182 S N 2.410 118.144 115.700 0.057 0.000 2.593 182 S HA 0.342 4.812 4.470 -0.000 0.000 0.269 182 S C -0.404 174.248 174.600 0.086 0.000 1.334 182 S CA -0.704 57.550 58.200 0.089 0.000 1.015 182 S CB 0.683 63.973 63.200 0.151 0.000 0.912 182 S HN 0.665 nan 8.310 nan 0.000 0.541 183 Q N 0.849 120.678 119.800 0.048 0.000 2.322 183 Q HA 0.370 4.710 4.340 -0.000 0.000 0.265 183 Q C -0.560 175.356 176.000 -0.140 0.000 0.985 183 Q CA -0.480 55.324 55.803 0.001 0.000 0.849 183 Q CB 1.243 29.982 28.738 0.001 0.000 1.274 183 Q HN 0.728 nan 8.270 nan 0.000 0.449 184 R N 4.806 125.156 120.500 -0.251 0.000 2.347 184 R HA 0.137 4.477 4.340 -0.000 0.000 0.304 184 R C 0.175 176.091 176.300 -0.640 0.000 1.072 184 R CA -0.071 55.562 56.100 -0.777 0.000 0.980 184 R CB 0.466 30.116 30.300 -1.083 0.000 0.986 184 R HN 0.784 nan 8.270 nan 0.000 0.448 185 I N 2.027 122.152 120.570 -0.741 0.000 3.081 185 I HA -0.028 4.142 4.170 -0.000 0.000 0.274 185 I C 1.114 176.932 176.117 -0.498 0.000 1.178 185 I CA 0.971 61.976 61.300 -0.493 0.000 1.460 185 I CB -0.412 37.286 38.000 -0.504 0.000 1.137 185 I HN 0.595 nan 8.210 nan 0.000 0.443 186 T N -3.901 110.194 114.554 -0.765 0.000 2.906 186 T HA 0.399 4.749 4.350 -0.000 0.000 0.295 186 T C -0.620 173.612 174.700 -0.781 0.000 1.061 186 T CA -0.546 61.218 62.100 -0.559 0.000 1.000 186 T CB 1.838 70.435 68.868 -0.452 0.000 1.103 186 T HN 0.146 nan 8.240 nan 0.000 0.486 187 W N 0.152 121.344 121.300 -0.180 0.000 2.714 187 W HA 0.219 4.880 4.660 0.001 0.000 0.353 187 W C 2.062 178.524 176.519 -0.093 0.000 0.999 187 W CA 0.061 57.332 57.345 -0.123 0.000 1.629 187 W CB -0.051 29.354 29.460 -0.092 0.000 1.106 187 W HN 0.899 nan 8.180 nan 0.000 0.545 188 T N -2.217 112.371 114.554 0.058 0.000 3.088 188 T HA 0.210 4.560 4.350 -0.000 0.000 0.259 188 T C 1.387 176.072 174.700 -0.025 0.000 1.122 188 T CA 0.356 62.474 62.100 0.031 0.000 1.095 188 T CB -0.455 68.435 68.868 0.036 0.000 0.930 188 T HN 0.034 nan 8.240 nan 0.000 0.508 189 G N 1.321 110.073 108.800 -0.080 0.000 2.257 189 G HA2 0.279 4.239 3.960 -0.000 0.000 0.235 189 G HA3 0.279 4.239 3.960 -0.000 0.000 0.235 189 G C -0.531 174.294 174.900 -0.125 0.000 1.225 189 G CA -0.276 44.750 45.100 -0.124 0.000 0.878 189 G HN 0.617 nan 8.290 nan 0.000 0.505 190 K N 1.768 122.064 120.400 -0.174 0.000 2.575 190 K HA 0.159 4.479 4.320 -0.000 0.000 0.255 190 K C -0.319 176.141 176.600 -0.233 0.000 0.953 190 K CA -0.682 55.510 56.287 -0.159 0.000 0.840 190 K CB 1.554 34.000 32.500 -0.091 0.000 1.303 190 K HN 0.645 nan 8.250 nan 0.000 0.438 191 E N 3.453 123.536 120.200 -0.196 0.000 2.652 191 E HA -0.148 4.202 4.350 -0.000 0.000 0.255 191 E C -0.398 176.119 176.600 -0.138 0.000 0.952 191 E CA 1.134 57.423 56.400 -0.185 0.000 0.947 191 E CB -0.010 29.621 29.700 -0.115 0.000 0.912 191 E HN 0.757 nan 8.360 nan 0.000 0.489 192 N N 1.682 120.302 118.700 -0.134 0.000 2.753 192 N HA -0.260 4.480 4.740 -0.000 0.000 0.251 192 N C -0.005 175.553 175.510 0.080 0.000 1.097 192 N CA 0.475 53.566 53.050 0.068 0.000 0.786 192 N CB -0.464 38.076 38.487 0.089 0.000 1.137 192 N HN 0.302 nan 8.380 nan 0.000 0.566 193 V N -1.140 118.735 119.914 -0.064 0.000 3.415 193 V HA 0.272 4.391 4.120 -0.000 0.000 0.204 193 V C 0.141 176.276 176.094 0.068 0.000 1.365 193 V CA 0.365 62.691 62.300 0.043 0.000 1.310 193 V CB 0.716 32.544 31.823 0.007 0.000 1.231 193 V HN 0.080 nan 8.190 nan 0.000 0.538 194 I N 0.937 121.451 120.570 -0.094 0.000 2.406 194 I HA 0.487 4.657 4.170 -0.000 0.000 0.290 194 I C -1.509 174.535 176.117 -0.121 0.000 0.999 194 I CA -0.536 60.772 61.300 0.014 0.000 1.124 194 I CB 1.281 39.289 38.000 0.013 0.000 1.289 194 I HN 0.238 nan 8.210 nan 0.000 0.441 195 Y N 4.481 124.855 120.300 0.122 0.000 2.331 195 Y HA 0.412 4.962 4.550 -0.000 0.000 0.334 195 Y C 0.248 176.210 175.900 0.104 0.000 0.960 195 Y CA -0.823 57.351 58.100 0.124 0.000 1.130 195 Y CB 1.288 39.877 38.460 0.216 0.000 1.164 195 Y HN 0.403 nan 8.280 nan 0.000 0.458 196 N N 2.193 120.967 118.700 0.124 0.000 2.476 196 N HA 0.396 5.136 4.740 -0.000 0.000 0.257 196 N C 0.763 176.244 175.510 -0.047 0.000 0.970 196 N CA 0.409 53.485 53.050 0.045 0.000 0.938 196 N CB 1.871 40.277 38.487 -0.136 0.000 1.144 196 N HN 0.983 nan 8.380 nan 0.000 0.500 197 G N 0.486 109.298 108.800 0.021 0.000 2.217 197 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.246 197 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.246 197 G C -0.033 174.754 174.900 -0.188 0.000 0.990 197 G CA 0.560 45.590 45.100 -0.117 0.000 0.627 197 G HN 0.684 nan 8.290 nan 0.000 0.522 198 V N -1.640 118.210 119.914 -0.107 0.000 3.078 198 V HA 0.930 5.049 4.120 -0.000 0.000 0.311 198 V C 0.347 176.411 176.094 -0.049 0.000 1.138 198 V CA -0.023 62.085 62.300 -0.320 0.000 1.007 198 V CB 1.406 32.760 31.823 -0.781 0.000 1.045 198 V HN 1.141 nan 8.190 nan 0.000 0.432 199 T N -0.042 114.385 114.554 -0.212 0.000 2.882 199 T HA 0.481 4.831 4.350 -0.000 0.000 0.287 199 T C -0.117 174.253 174.700 -0.550 0.000 1.014 199 T CA -0.155 61.600 62.100 -0.575 0.000 1.049 199 T CB 1.072 69.629 68.868 -0.519 0.000 1.001 199 T HN 1.086 nan 8.240 nan 0.000 0.525 200 D N 0.165 119.990 120.400 -0.958 0.000 2.478 200 D HA 0.032 4.672 4.640 -0.000 0.000 0.274 200 D C 0.952 177.068 176.300 -0.306 0.000 1.234 200 D CA -1.082 52.379 54.000 -0.899 0.000 1.069 200 D CB 0.069 40.367 40.800 -0.837 0.000 1.113 200 D HN 0.694 nan 8.370 nan 0.000 0.571 201 W N 0.020 121.191 121.300 -0.216 0.000 2.335 201 W HA -0.197 4.463 4.660 -0.000 0.000 0.311 201 W C 2.144 178.512 176.519 -0.252 0.000 1.213 201 W CA 2.124 59.358 57.345 -0.185 0.000 1.274 201 W CB -0.439 28.866 29.460 -0.258 0.000 1.148 201 W HN 0.178 nan 8.180 nan 0.000 0.498 202 V N -0.152 119.742 119.914 -0.033 0.000 2.548 202 V HA -0.279 3.841 4.120 -0.000 0.000 0.249 202 V C 1.821 177.662 176.094 -0.421 0.000 1.055 202 V CA 1.870 64.046 62.300 -0.206 0.000 1.065 202 V CB -0.694 31.065 31.823 -0.107 0.000 0.681 202 V HN 0.273 nan 8.190 nan 0.000 0.462 203 Y N 0.466 120.448 120.300 -0.529 0.000 2.314 203 Y HA -0.109 4.440 4.550 -0.000 0.000 0.293 203 Y C 2.543 178.139 175.900 -0.506 0.000 1.129 203 Y CA 1.907 59.627 58.100 -0.634 0.000 1.201 203 Y CB -0.014 37.792 38.460 -1.091 0.000 0.999 203 Y HN 0.366 nan 8.280 nan 0.000 0.541 204 E N 0.231 120.236 120.200 -0.325 0.000 2.028 204 E HA -0.270 4.080 4.350 -0.000 0.000 0.191 204 E C 1.973 178.462 176.600 -0.185 0.000 0.988 204 E CA 1.482 57.771 56.400 -0.185 0.000 0.799 204 E CB 0.051 29.662 29.700 -0.149 0.000 0.755 204 E HN 0.364 nan 8.360 nan 0.000 0.447 205 E N 0.182 120.083 120.200 -0.498 0.000 2.076 205 E HA -0.142 4.208 4.350 -0.000 0.000 0.190 205 E C 1.621 178.074 176.600 -0.244 0.000 0.979 205 E CA 1.404 57.526 56.400 -0.464 0.000 0.807 205 E CB 0.203 29.281 29.700 -1.036 0.000 0.761 205 E HN 0.215 nan 8.360 nan 0.000 0.454 206 E N -0.861 119.171 120.200 -0.280 0.000 2.372 206 E HA 0.095 4.445 4.350 -0.000 0.000 0.201 206 E C 1.860 178.366 176.600 -0.157 0.000 0.938 206 E CA 0.466 56.771 56.400 -0.160 0.000 0.944 206 E CB 0.772 30.367 29.700 -0.174 0.000 0.937 206 E HN 0.191 nan 8.360 nan 0.000 0.495 207 V N 0.102 119.880 119.914 -0.227 0.000 2.599 207 V HA 0.020 4.140 4.120 -0.000 0.000 0.237 207 V C 1.703 177.961 176.094 0.273 0.000 1.081 207 V CA 0.794 63.036 62.300 -0.097 0.000 1.107 207 V CB -0.287 31.302 31.823 -0.391 0.000 0.808 207 V HN 0.027 nan 8.190 nan 0.000 0.486 208 F N 0.694 120.624 119.950 -0.032 0.000 2.569 208 F HA 0.270 4.796 4.527 -0.000 0.000 0.295 208 F C 1.740 177.500 175.800 -0.067 0.000 1.115 208 F CA 0.111 58.119 58.000 0.014 0.000 1.450 208 F CB -0.799 38.243 39.000 0.071 0.000 1.107 208 F HN 0.156 nan 8.300 nan 0.000 0.563 209 S N -0.037 115.712 115.700 0.082 0.000 3.587 209 S HA 0.009 4.479 4.470 -0.000 0.000 0.337 209 S C 0.136 174.423 174.600 -0.521 0.000 1.119 209 S CA 0.490 58.624 58.200 -0.109 0.000 0.976 209 S CB -1.701 61.468 63.200 -0.050 0.000 0.922 209 S HN 0.674 nan 8.310 nan 0.000 0.503 210 A N -0.733 121.955 122.820 -0.219 0.000 2.601 210 A HA 0.711 5.031 4.320 -0.000 0.000 0.291 210 A C -0.382 177.232 177.584 0.050 0.000 1.075 210 A CA -0.423 51.504 52.037 -0.183 0.000 0.671 210 A CB 0.284 19.216 19.000 -0.114 0.000 1.277 210 A HN 0.363 nan 8.150 nan 0.000 0.417 211 Y N 1.153 121.363 120.300 -0.150 0.000 2.476 211 Y HA 0.250 4.800 4.550 -0.000 0.000 0.283 211 Y C 1.530 177.239 175.900 -0.319 0.000 1.109 211 Y CA 0.850 58.855 58.100 -0.157 0.000 1.246 211 Y CB 0.015 38.421 38.460 -0.090 0.000 1.068 211 Y HN 0.700 nan 8.280 nan 0.000 0.552 212 S N 0.625 115.953 115.700 -0.620 0.000 2.560 212 S HA 0.408 4.878 4.470 -0.000 0.000 0.284 212 S C 0.392 174.665 174.600 -0.546 0.000 1.327 212 S CA 0.348 57.889 58.200 -1.099 0.000 1.055 212 S CB 0.448 62.637 63.200 -1.685 0.000 0.868 212 S HN 0.468 nan 8.310 nan 0.000 0.506 213 A N 5.200 127.621 122.820 -0.665 0.000 2.709 213 A HA 0.469 4.789 4.320 -0.000 0.000 0.241 213 A C -0.537 176.387 177.584 -1.100 0.000 0.879 213 A CA -0.459 51.222 52.037 -0.593 0.000 1.120 213 A CB 0.038 19.079 19.000 0.068 0.000 1.226 213 A HN 0.688 nan 8.150 nan 0.000 0.468 214 L N 0.318 120.769 121.223 -1.286 0.000 2.362 214 L HA 0.655 4.995 4.340 -0.000 0.000 0.271 214 L C -1.189 175.157 176.870 -0.873 0.000 1.002 214 L CA -0.621 53.742 54.840 -0.794 0.000 0.818 214 L CB 1.985 43.837 42.059 -0.344 0.000 1.298 214 L HN 0.432 nan 8.230 nan 0.000 0.420 215 W N 2.220 123.600 121.300 0.134 0.000 2.740 215 W HA 0.194 4.854 4.660 -0.000 0.000 0.316 215 W C -1.179 175.559 176.519 0.366 0.000 1.020 215 W CA -1.104 56.428 57.345 0.313 0.000 1.278 215 W CB 1.004 30.704 29.460 0.400 0.000 1.224 215 W HN 0.480 nan 8.180 nan 0.000 0.393 216 W N 2.417 123.920 121.300 0.339 0.000 2.170 216 W HA 0.239 4.899 4.660 -0.000 0.000 0.336 216 W C 1.350 177.682 176.519 -0.312 0.000 1.283 216 W CA 0.536 57.935 57.345 0.090 0.000 1.224 216 W CB 0.809 30.305 29.460 0.061 0.000 1.132 216 W HN 0.173 nan 8.180 nan 0.000 0.571 217 S N 2.165 117.614 115.700 -0.419 0.000 2.614 217 S HA 0.237 4.707 4.470 -0.000 0.000 0.265 217 S C -1.826 172.544 174.600 -0.382 0.000 1.303 217 S CA -1.074 56.379 58.200 -1.245 0.000 1.000 217 S CB 1.173 63.673 63.200 -1.167 0.000 0.935 217 S HN 0.275 nan 8.310 nan 0.000 0.551 218 P HA -0.115 nan 4.420 nan 0.000 0.216 218 P C 0.660 177.936 177.300 -0.040 0.000 1.154 218 P CA 1.482 64.557 63.100 -0.042 0.000 0.865 218 P CB -0.064 31.658 31.700 0.036 0.000 0.789 219 N N -2.249 116.413 118.700 -0.064 0.000 2.273 219 N HA 0.208 4.948 4.740 -0.000 0.000 0.231 219 N C 0.763 176.213 175.510 -0.100 0.000 1.134 219 N CA 0.425 53.436 53.050 -0.065 0.000 0.856 219 N CB -0.496 37.966 38.487 -0.041 0.000 1.068 219 N HN -0.009 nan 8.380 nan 0.000 0.510 220 G N -0.785 107.962 108.800 -0.088 0.000 2.175 220 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.265 220 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.265 220 G C 1.154 176.086 174.900 0.053 0.000 0.979 220 G CA 1.212 46.285 45.100 -0.045 0.000 0.663 220 G HN 0.410 nan 8.290 nan 0.000 0.533 221 T N -0.365 114.118 114.554 -0.117 0.000 2.770 221 T HA 0.230 4.580 4.350 -0.000 0.000 0.263 221 T C 0.810 175.245 174.700 -0.441 0.000 1.039 221 T CA 1.327 63.202 62.100 -0.374 0.000 1.142 221 T CB -0.045 68.397 68.868 -0.709 0.000 0.868 221 T HN 0.310 nan 8.240 nan 0.000 0.435 222 F N 0.194 120.168 119.950 0.041 0.000 2.507 222 F HA 0.662 5.189 4.527 -0.000 0.000 0.327 222 F C -0.357 175.459 175.800 0.027 0.000 1.068 222 F CA -1.704 56.342 58.000 0.077 0.000 0.965 222 F CB 1.280 40.385 39.000 0.175 0.000 1.192 222 F HN -0.136 nan 8.300 nan 0.000 0.476 223 L N 2.572 123.895 121.223 0.167 0.000 2.372 223 L HA 0.821 5.161 4.340 -0.000 0.000 0.273 223 L C -0.732 176.215 176.870 0.129 0.000 0.989 223 L CA -0.550 54.202 54.840 -0.147 0.000 0.841 223 L CB 0.759 42.449 42.059 -0.616 0.000 1.225 223 L HN 0.681 nan 8.230 nan 0.000 0.414 224 A N 4.680 127.677 122.820 0.295 0.000 2.303 224 A HA 0.801 5.121 4.320 -0.000 0.000 0.317 224 A C -1.398 176.337 177.584 0.252 0.000 1.149 224 A CA -0.263 51.883 52.037 0.183 0.000 0.822 224 A CB 0.660 19.829 19.000 0.281 0.000 1.131 224 A HN 0.904 nan 8.150 nan 0.000 0.493 225 Y N -1.488 118.692 120.300 -0.199 0.000 2.638 225 Y HA 0.760 5.310 4.550 -0.000 0.000 0.335 225 Y C -0.449 175.395 175.900 -0.093 0.000 1.155 225 Y CA -0.973 57.081 58.100 -0.076 0.000 1.046 225 Y CB 0.879 39.236 38.460 -0.171 0.000 1.303 225 Y HN 0.958 nan 8.280 nan 0.000 0.460 226 A N 2.255 125.159 122.820 0.139 0.000 2.340 226 A HA 0.671 4.991 4.320 -0.000 0.000 0.331 226 A C -1.234 176.198 177.584 -0.254 0.000 1.140 226 A CA -0.845 51.116 52.037 -0.126 0.000 0.801 226 A CB 1.725 20.706 19.000 -0.032 0.000 1.234 226 A HN 0.830 nan 8.150 nan 0.000 0.469 227 Q N 1.223 120.789 119.800 -0.390 0.000 2.333 227 Q HA 0.632 4.972 4.340 -0.000 0.000 0.267 227 Q C -2.055 173.643 176.000 -0.502 0.000 1.012 227 Q CA -0.401 55.286 55.803 -0.194 0.000 0.824 227 Q CB 1.082 29.924 28.738 0.174 0.000 1.290 227 Q HN 0.587 nan 8.270 nan 0.000 0.449 228 F N 2.402 122.403 119.950 0.084 0.000 2.458 228 F HA 0.404 4.931 4.527 -0.000 0.000 0.336 228 F C 0.330 176.229 175.800 0.166 0.000 1.114 228 F CA -0.918 57.097 58.000 0.024 0.000 0.987 228 F CB 1.508 40.420 39.000 -0.146 0.000 1.130 228 F HN 0.444 nan 8.300 nan 0.000 0.458 229 N N 2.067 120.934 118.700 0.279 0.000 2.446 229 N HA 0.210 4.950 4.740 -0.000 0.000 0.265 229 N C -0.849 174.800 175.510 0.233 0.000 0.975 229 N CA -0.258 52.931 53.050 0.232 0.000 0.928 229 N CB 1.193 39.767 38.487 0.146 0.000 1.160 229 N HN 0.571 nan 8.380 nan 0.000 0.495 230 D N 1.546 122.104 120.400 0.263 0.000 2.424 230 D HA 0.139 4.779 4.640 -0.000 0.000 0.220 230 D C 1.175 177.572 176.300 0.161 0.000 1.150 230 D CA 0.131 54.267 54.000 0.227 0.000 0.831 230 D CB 0.545 41.531 40.800 0.309 0.000 0.981 230 D HN 0.477 nan 8.370 nan 0.000 0.500 231 T N 0.361 114.993 114.554 0.130 0.000 2.653 231 T HA -0.207 4.143 4.350 -0.000 0.000 0.268 231 T C 1.312 176.058 174.700 0.077 0.000 1.035 231 T CA 1.310 63.465 62.100 0.090 0.000 1.154 231 T CB -0.041 68.871 68.868 0.072 0.000 0.862 231 T HN 0.328 nan 8.240 nan 0.000 0.441 232 E N 0.470 120.716 120.200 0.077 0.000 2.444 232 E HA 0.161 4.511 4.350 -0.000 0.000 0.191 232 E C -0.426 176.215 176.600 0.068 0.000 1.041 232 E CA -0.212 56.225 56.400 0.063 0.000 0.883 232 E CB 0.481 30.212 29.700 0.051 0.000 1.024 232 E HN 0.237 nan 8.360 nan 0.000 0.470 233 V N 3.355 123.321 119.914 0.087 0.000 2.461 233 V HA 0.141 4.261 4.120 -0.000 0.000 0.275 233 V C -2.025 174.119 176.094 0.082 0.000 1.047 233 V CA -1.735 60.619 62.300 0.091 0.000 0.955 233 V CB 0.598 32.490 31.823 0.114 0.000 0.988 233 V HN 0.017 nan 8.190 nan 0.000 0.471 234 P HA 0.233 nan 4.420 nan 0.000 0.270 234 P C -0.717 176.617 177.300 0.057 0.000 1.223 234 P CA -0.197 62.938 63.100 0.057 0.000 0.785 234 P CB 0.499 32.232 31.700 0.057 0.000 0.923 235 L N 2.244 123.481 121.223 0.023 0.000 2.309 235 L HA 0.449 4.789 4.340 -0.000 0.000 0.282 235 L C 0.279 177.111 176.870 -0.063 0.000 1.036 235 L CA -0.924 53.913 54.840 -0.005 0.000 0.806 235 L CB 1.062 43.111 42.059 -0.016 0.000 1.220 235 L HN 0.297 nan 8.230 nan 0.000 0.429 236 I N 2.724 123.216 120.570 -0.129 0.000 2.396 236 I HA 0.298 4.468 4.170 -0.000 0.000 0.292 236 I C -0.391 175.583 176.117 -0.239 0.000 0.999 236 I CA 0.226 61.365 61.300 -0.268 0.000 1.310 236 I CB 0.985 38.615 38.000 -0.616 0.000 1.404 236 I HN 0.581 nan 8.210 nan 0.000 0.496 237 E N 7.051 127.131 120.200 -0.201 0.000 2.293 237 E HA 0.545 4.895 4.350 -0.000 0.000 0.270 237 E C -1.822 174.714 176.600 -0.105 0.000 0.879 237 E CA -0.651 55.624 56.400 -0.208 0.000 0.756 237 E CB 2.313 31.920 29.700 -0.156 0.000 1.208 237 E HN 0.565 nan 8.360 nan 0.000 0.428 238 Y N -2.161 118.045 120.300 -0.156 0.000 2.609 238 Y HA 0.546 5.096 4.550 -0.000 0.000 0.336 238 Y C -0.885 174.935 175.900 -0.133 0.000 1.129 238 Y CA -1.252 56.760 58.100 -0.146 0.000 1.040 238 Y CB 0.912 39.286 38.460 -0.144 0.000 1.310 238 Y HN 0.241 nan 8.280 nan 0.000 0.460 239 S N 1.947 117.639 115.700 -0.013 0.000 2.562 239 S HA 0.490 4.960 4.470 -0.000 0.000 0.275 239 S C -1.415 173.022 174.600 -0.271 0.000 1.281 239 S CA -0.425 57.624 58.200 -0.251 0.000 1.045 239 S CB 0.605 63.515 63.200 -0.483 0.000 0.962 239 S HN 0.535 nan 8.310 nan 0.000 0.503 240 F N 2.608 122.305 119.950 -0.421 0.000 2.460 240 F HA 0.425 4.952 4.527 -0.000 0.000 0.341 240 F C -0.128 175.444 175.800 -0.380 0.000 1.130 240 F CA -1.059 56.782 58.000 -0.264 0.000 0.962 240 F CB 0.636 39.602 39.000 -0.057 0.000 1.171 240 F HN 0.647 nan 8.300 nan 0.000 0.436 241 Y N 2.831 122.895 120.300 -0.393 0.000 2.337 241 Y HA 0.055 4.605 4.550 -0.000 0.000 0.293 241 Y C 1.798 177.581 175.900 -0.195 0.000 1.123 241 Y CA 1.192 59.148 58.100 -0.241 0.000 1.201 241 Y CB -0.677 37.642 38.460 -0.236 0.000 1.011 241 Y HN 0.736 nan 8.280 nan 0.000 0.545 242 S N -0.148 115.372 115.700 -0.300 0.000 3.443 242 S HA -0.328 4.142 4.470 -0.000 0.000 0.635 242 S C -0.174 174.444 174.600 0.031 0.000 2.555 242 S CA 0.233 58.439 58.200 0.011 0.000 2.778 242 S CB -1.457 61.883 63.200 0.233 0.000 0.331 242 S HN 0.615 nan 8.310 nan 0.000 1.765 243 D N 1.000 121.451 120.400 0.085 0.000 2.443 243 D HA 0.226 4.866 4.640 -0.000 0.000 0.239 243 D C 1.440 177.764 176.300 0.040 0.000 1.136 243 D CA 0.836 54.870 54.000 0.057 0.000 0.879 243 D CB 0.519 41.358 40.800 0.065 0.000 1.195 243 D HN 0.549 nan 8.370 nan 0.000 0.443 244 E N 1.471 121.684 120.200 0.021 0.000 2.253 244 E HA -0.291 4.059 4.350 -0.000 0.000 0.202 244 E C 1.279 177.887 176.600 0.012 0.000 1.014 244 E CA 1.408 57.813 56.400 0.008 0.000 0.823 244 E CB 0.015 29.714 29.700 -0.001 0.000 0.736 244 E HN 0.553 nan 8.360 nan 0.000 0.478 245 S N -0.242 115.472 115.700 0.023 0.000 2.522 245 S HA 0.011 4.481 4.470 -0.000 0.000 0.227 245 S C 1.005 175.627 174.600 0.036 0.000 0.986 245 S CA -0.192 58.023 58.200 0.025 0.000 0.929 245 S CB -0.007 63.211 63.200 0.029 0.000 0.769 245 S HN 0.224 nan 8.310 nan 0.000 0.529 246 L N 2.346 123.597 121.223 0.048 0.000 2.369 246 L HA 0.206 4.545 4.340 -0.000 0.000 0.279 246 L C 1.522 178.422 176.870 0.049 0.000 1.108 246 L CA -0.082 54.798 54.840 0.068 0.000 0.852 246 L CB 1.069 43.181 42.059 0.088 0.000 1.169 246 L HN 0.384 nan 8.230 nan 0.000 0.452 247 Q N 3.797 123.631 119.800 0.058 0.000 2.119 247 Q HA -0.098 4.242 4.340 -0.000 0.000 0.201 247 Q C -0.662 175.244 176.000 -0.156 0.000 0.972 247 Q CA 1.379 57.159 55.803 -0.038 0.000 0.847 247 Q CB 0.248 28.988 28.738 0.002 0.000 0.903 247 Q HN 0.564 nan 8.270 nan 0.000 0.433 248 Y N 0.104 120.416 120.300 0.019 0.000 2.364 248 Y HA 0.379 4.929 4.550 0.000 0.000 0.340 248 Y C -2.084 173.821 175.900 0.009 0.000 0.975 248 Y CA -2.998 55.109 58.100 0.012 0.000 1.089 248 Y CB 1.300 39.760 38.460 0.000 0.000 1.192 248 Y HN 0.079 nan 8.280 nan 0.000 0.454 249 P HA 0.117 nan 4.420 nan 0.000 0.271 249 P C -1.024 176.279 177.300 0.006 0.000 1.218 249 P CA -0.568 62.535 63.100 0.006 0.000 0.780 249 P CB 0.580 32.215 31.700 -0.110 0.000 0.901 250 K N 0.089 120.483 120.400 -0.010 0.000 2.123 250 K HA 0.597 4.917 4.320 -0.000 0.000 0.248 250 K C -0.726 175.834 176.600 -0.066 0.000 0.969 250 K CA -0.707 55.575 56.287 -0.008 0.000 0.882 250 K CB 0.594 33.111 32.500 0.028 0.000 1.080 250 K HN 0.176 nan 8.250 nan 0.000 0.441 251 T N 1.637 116.138 114.554 -0.090 0.000 2.749 251 T HA 0.221 4.571 4.350 -0.000 0.000 0.287 251 T C -0.228 174.351 174.700 -0.203 0.000 0.970 251 T CA -0.717 61.293 62.100 -0.149 0.000 0.980 251 T CB 1.033 69.825 68.868 -0.127 0.000 0.924 251 T HN 0.342 nan 8.240 nan 0.000 0.456 252 V N 5.242 124.941 119.914 -0.358 0.000 2.546 252 V HA 0.431 4.551 4.120 -0.000 0.000 0.284 252 V C 0.448 176.277 176.094 -0.443 0.000 1.050 252 V CA -0.509 61.529 62.300 -0.437 0.000 0.981 252 V CB 0.914 32.311 31.823 -0.710 0.000 0.990 252 V HN 0.719 nan 8.190 nan 0.000 0.474 253 R N 5.048 125.410 120.500 -0.230 0.000 2.513 253 R HA 0.719 5.059 4.340 -0.000 0.000 0.301 253 R C -1.377 174.900 176.300 -0.040 0.000 0.968 253 R CA -0.543 55.466 56.100 -0.152 0.000 0.872 253 R CB 2.014 32.261 30.300 -0.089 0.000 1.177 253 R HN 0.603 nan 8.270 nan 0.000 0.444 254 I N 3.223 123.763 120.570 -0.050 0.000 2.533 254 I HA 0.341 4.511 4.170 -0.000 0.000 0.290 254 I C -2.419 173.732 176.117 0.057 0.000 1.056 254 I CA -2.689 58.639 61.300 0.047 0.000 1.057 254 I CB 2.763 40.725 38.000 -0.063 0.000 1.240 254 I HN 0.237 nan 8.210 nan 0.000 0.423 255 P HA 0.092 nan 4.420 nan 0.000 0.273 255 P C -1.477 175.912 177.300 0.149 0.000 1.319 255 P CA 0.169 63.356 63.100 0.146 0.000 0.885 255 P CB -0.152 31.669 31.700 0.202 0.000 1.015 256 Y N 6.892 127.157 120.300 -0.057 0.000 2.326 256 Y HA 0.463 5.013 4.550 -0.000 0.000 0.329 256 Y C -2.615 173.259 175.900 -0.044 0.000 0.973 256 Y CA -2.993 55.033 58.100 -0.124 0.000 1.162 256 Y CB 1.878 40.151 38.460 -0.313 0.000 1.147 256 Y HN 0.274 nan 8.280 nan 0.000 0.456 257 P HA 0.277 nan 4.420 nan 0.000 0.292 257 P C -1.216 176.136 177.300 0.087 0.000 1.326 257 P CA -0.384 62.755 63.100 0.066 0.000 0.787 257 P CB 1.588 33.306 31.700 0.030 0.000 0.903 258 K N 1.928 122.453 120.400 0.208 0.000 2.098 258 K HA 0.545 4.865 4.320 -0.000 0.000 0.244 258 K C 0.448 177.147 176.600 0.166 0.000 1.014 258 K CA -0.819 55.609 56.287 0.235 0.000 0.917 258 K CB 0.727 33.378 32.500 0.252 0.000 1.072 258 K HN 0.454 nan 8.250 nan 0.000 0.477 259 A N 0.835 123.779 122.820 0.206 0.000 2.592 259 A HA 0.190 4.510 4.320 -0.000 0.000 0.250 259 A C 1.250 178.886 177.584 0.087 0.000 1.017 259 A CA 1.206 53.356 52.037 0.189 0.000 0.794 259 A CB -1.377 17.805 19.000 0.303 0.000 0.917 259 A HN 0.937 nan 8.150 nan 0.000 0.515 260 G N 1.031 109.872 108.800 0.069 0.000 2.212 260 G HA2 0.083 4.043 3.960 -0.000 0.000 0.266 260 G HA3 0.083 4.043 3.960 -0.000 0.000 0.266 260 G C 0.729 175.647 174.900 0.031 0.000 0.978 260 G CA 0.938 46.052 45.100 0.023 0.000 0.632 260 G HN 2.252 nan 8.290 nan 0.000 0.537 261 A N -0.230 122.623 122.820 0.055 0.000 2.280 261 A HA 0.684 5.004 4.320 -0.000 0.000 0.268 261 A C 0.513 178.127 177.584 0.051 0.000 1.111 261 A CA 0.584 52.654 52.037 0.055 0.000 0.814 261 A CB 0.293 19.340 19.000 0.078 0.000 1.093 261 A HN 0.671 nan 8.150 nan 0.000 0.498 262 E N 0.575 120.805 120.200 0.050 0.000 2.366 262 E HA 0.159 4.508 4.350 -0.000 0.000 0.266 262 E C -0.395 176.244 176.600 0.064 0.000 1.015 262 E CA 0.170 56.598 56.400 0.047 0.000 0.906 262 E CB 0.149 29.876 29.700 0.045 0.000 0.979 262 E HN 0.545 nan 8.360 nan 0.000 0.443 263 N N 4.093 122.830 118.700 0.062 0.000 2.482 263 N HA 0.430 5.170 4.740 -0.000 0.000 0.279 263 N C -2.466 173.115 175.510 0.118 0.000 1.182 263 N CA -1.674 51.435 53.050 0.099 0.000 0.969 263 N CB 0.711 39.262 38.487 0.106 0.000 1.201 263 N HN 0.385 nan 8.380 nan 0.000 0.523 264 P HA 0.132 nan 4.420 nan 0.000 0.278 264 P C -0.422 177.003 177.300 0.209 0.000 1.238 264 P CA -0.206 63.018 63.100 0.207 0.000 0.794 264 P CB 0.500 32.352 31.700 0.253 0.000 0.955 265 T N -0.628 114.016 114.554 0.150 0.000 2.881 265 T HA 0.573 4.923 4.350 -0.000 0.000 0.278 265 T C -0.034 174.735 174.700 0.115 0.000 0.982 265 T CA -0.741 61.409 62.100 0.084 0.000 0.989 265 T CB 1.374 70.266 68.868 0.040 0.000 1.058 265 T HN 0.361 nan 8.240 nan 0.000 0.529 266 V N -0.132 119.815 119.914 0.056 0.000 3.049 266 V HA 0.756 4.876 4.120 -0.000 0.000 0.309 266 V C -1.745 174.346 176.094 -0.005 0.000 1.148 266 V CA -0.945 61.334 62.300 -0.035 0.000 0.990 266 V CB 2.275 34.088 31.823 -0.016 0.000 1.039 266 V HN 1.071 nan 8.190 nan 0.000 0.430 267 K N 3.752 124.072 120.400 -0.134 0.000 2.477 267 K HA 0.587 4.907 4.320 -0.000 0.000 0.255 267 K C -2.005 174.406 176.600 -0.316 0.000 0.952 267 K CA -0.446 55.714 56.287 -0.212 0.000 0.826 267 K CB 2.794 35.111 32.500 -0.304 0.000 1.331 267 K HN 0.552 nan 8.250 nan 0.000 0.437 268 F N 2.522 122.121 119.950 -0.586 0.000 2.507 268 F HA 0.560 5.086 4.527 -0.000 0.000 0.325 268 F C -1.557 173.763 175.800 -0.800 0.000 1.116 268 F CA -0.684 56.999 58.000 -0.528 0.000 0.930 268 F CB 0.822 39.656 39.000 -0.277 0.000 1.146 268 F HN 0.372 nan 8.300 nan 0.000 0.447 269 F N 4.492 123.793 119.950 -1.081 0.000 2.563 269 F HA 0.690 5.216 4.527 -0.000 0.000 0.316 269 F C -0.869 174.487 175.800 -0.740 0.000 1.076 269 F CA -1.272 56.264 58.000 -0.774 0.000 0.921 269 F CB 2.050 40.574 39.000 -0.794 0.000 1.209 269 F HN 0.075 nan 8.300 nan 0.000 0.462 270 V N 3.395 123.244 119.914 -0.109 0.000 2.350 270 V HA 0.403 4.523 4.120 -0.000 0.000 0.285 270 V C -0.542 175.708 176.094 0.261 0.000 1.014 270 V CA -0.788 61.485 62.300 -0.044 0.000 0.831 270 V CB 1.380 32.964 31.823 -0.398 0.000 1.000 270 V HN 0.536 nan 8.190 nan 0.000 0.433 271 V N 3.647 123.738 119.914 0.295 0.000 2.465 271 V HA 0.306 4.425 4.120 -0.000 0.000 0.279 271 V C 0.130 176.477 176.094 0.422 0.000 1.045 271 V CA -0.362 62.125 62.300 0.312 0.000 0.938 271 V CB 1.790 33.717 31.823 0.173 0.000 0.986 271 V HN 0.874 nan 8.190 nan 0.000 0.467 272 D N 3.625 124.286 120.400 0.436 0.000 2.365 272 D HA 0.082 4.722 4.640 -0.000 0.000 0.237 272 D C 1.364 177.745 176.300 0.135 0.000 1.190 272 D CA 0.035 54.246 54.000 0.351 0.000 0.867 272 D CB 1.641 42.679 40.800 0.397 0.000 1.050 272 D HN 0.734 nan 8.370 nan 0.000 0.491 273 T N 1.415 116.003 114.554 0.056 0.000 3.072 273 T HA -0.048 4.302 4.350 -0.000 0.000 0.266 273 T C 1.702 176.425 174.700 0.038 0.000 1.127 273 T CA 0.440 62.578 62.100 0.064 0.000 1.107 273 T CB 0.029 68.984 68.868 0.144 0.000 0.910 273 T HN 0.312 nan 8.240 nan 0.000 0.513 274 R N 1.356 121.848 120.500 -0.013 0.000 2.105 274 R HA -0.058 4.282 4.340 -0.000 0.000 0.239 274 R C 2.603 178.919 176.300 0.027 0.000 1.135 274 R CA 1.856 57.950 56.100 -0.010 0.000 0.967 274 R CB -0.623 29.650 30.300 -0.044 0.000 0.861 274 R HN 0.685 nan 8.270 nan 0.000 0.442 275 T N -1.722 112.862 114.554 0.050 0.000 3.107 275 T HA 0.205 4.555 4.350 -0.000 0.000 0.249 275 T C 0.704 175.439 174.700 0.058 0.000 1.096 275 T CA -0.195 61.940 62.100 0.059 0.000 1.012 275 T CB -0.012 68.902 68.868 0.077 0.000 0.977 275 T HN -0.016 nan 8.240 nan 0.000 0.527 276 L N 2.532 123.789 121.223 0.056 0.000 2.562 276 L HA 0.363 4.703 4.340 -0.000 0.000 0.271 276 L C 0.412 177.312 176.870 0.050 0.000 1.167 276 L CA 0.026 54.898 54.840 0.053 0.000 0.917 276 L CB 0.367 42.455 42.059 0.048 0.000 1.187 276 L HN 0.280 nan 8.230 nan 0.000 0.482 277 S N 4.266 119.997 115.700 0.052 0.000 2.537 277 S HA 0.467 4.937 4.470 -0.000 0.000 0.271 277 S C -1.968 172.666 174.600 0.056 0.000 1.148 277 S CA -1.085 57.145 58.200 0.049 0.000 0.868 277 S CB 1.969 65.196 63.200 0.045 0.000 1.115 277 S HN 0.361 nan 8.310 nan 0.000 0.461 278 P HA -0.079 nan 4.420 nan 0.000 0.217 278 P C 0.245 177.582 177.300 0.061 0.000 1.148 278 P CA 1.273 64.411 63.100 0.063 0.000 0.828 278 P CB -0.051 31.682 31.700 0.055 0.000 0.783 279 N N -0.558 118.171 118.700 0.048 0.000 2.321 279 N HA 0.300 5.040 4.740 -0.000 0.000 0.242 279 N C 0.115 175.647 175.510 0.036 0.000 1.141 279 N CA 0.000 53.074 53.050 0.039 0.000 0.864 279 N CB 0.873 39.378 38.487 0.030 0.000 1.100 279 N HN 0.130 nan 8.380 nan 0.000 0.510 280 A N 0.223 123.071 122.820 0.046 0.000 2.380 280 A HA 0.666 4.986 4.320 -0.000 0.000 0.315 280 A C 0.490 178.106 177.584 0.055 0.000 1.101 280 A CA -0.532 51.533 52.037 0.046 0.000 0.771 280 A CB 1.105 20.135 19.000 0.050 0.000 1.287 280 A HN 0.159 nan 8.150 nan 0.000 0.436 281 S N -0.033 115.696 115.700 0.048 0.000 2.641 281 S HA 0.547 5.017 4.470 -0.000 0.000 0.261 281 S C -0.000 174.646 174.600 0.078 0.000 1.257 281 S CA -0.472 57.760 58.200 0.053 0.000 0.983 281 S CB 0.639 63.859 63.200 0.033 0.000 0.990 281 S HN 0.896 nan 8.310 nan 0.000 0.572 282 V N 1.481 121.448 119.914 0.089 0.000 2.432 282 V HA 0.312 4.431 4.120 -0.000 0.000 0.275 282 V C 0.257 176.419 176.094 0.112 0.000 1.043 282 V CA -0.506 61.851 62.300 0.094 0.000 0.925 282 V CB 0.966 32.840 31.823 0.086 0.000 0.985 282 V HN 0.987 nan 8.190 nan 0.000 0.466 283 T N 4.848 119.485 114.554 0.138 0.000 2.747 283 T HA 0.457 4.807 4.350 -0.000 0.000 0.301 283 T C 0.142 174.992 174.700 0.249 0.000 0.952 283 T CA -0.155 62.058 62.100 0.188 0.000 0.983 283 T CB 0.363 69.351 68.868 0.201 0.000 0.930 283 T HN 0.924 nan 8.240 nan 0.000 0.494 284 S N 3.226 119.086 115.700 0.265 0.000 2.588 284 S HA 0.730 5.200 4.470 -0.000 0.000 0.275 284 S C -1.603 173.247 174.600 0.417 0.000 1.130 284 S CA -0.981 57.417 58.200 0.330 0.000 0.855 284 S CB 1.697 65.039 63.200 0.237 0.000 1.116 284 S HN 0.555 nan 8.310 nan 0.000 0.472 285 Y N 0.962 121.454 120.300 0.319 0.000 2.462 285 Y HA 0.550 5.100 4.550 -0.000 0.000 0.346 285 Y C -0.511 175.526 175.900 0.227 0.000 0.976 285 Y CA -0.590 57.691 58.100 0.302 0.000 1.044 285 Y CB 2.017 40.734 38.460 0.429 0.000 1.230 285 Y HN 0.913 nan 8.280 nan 0.000 0.455 286 Q N 5.992 125.507 119.800 -0.476 0.000 2.314 286 Q HA 0.511 4.851 4.340 -0.000 0.000 0.259 286 Q C -1.401 174.300 176.000 -0.499 0.000 0.951 286 Q CA -0.540 54.975 55.803 -0.479 0.000 0.909 286 Q CB 0.836 29.304 28.738 -0.451 0.000 1.236 286 Q HN 0.751 nan 8.270 nan 0.000 0.444 287 I N 5.064 125.533 120.570 -0.168 0.000 2.315 287 I HA 0.241 4.411 4.170 -0.000 0.000 0.291 287 I C 0.150 176.264 176.117 -0.005 0.000 1.006 287 I CA -0.864 60.454 61.300 0.031 0.000 1.265 287 I CB 1.265 39.380 38.000 0.192 0.000 1.387 287 I HN 0.412 nan 8.210 nan 0.000 0.475 288 V N 5.401 125.262 119.914 -0.088 0.000 2.837 288 V HA 0.654 4.774 4.120 -0.000 0.000 0.310 288 V C -2.322 173.541 176.094 -0.385 0.000 1.059 288 V CA -1.883 60.287 62.300 -0.216 0.000 1.004 288 V CB 0.984 32.671 31.823 -0.226 0.000 1.045 288 V HN 0.529 nan 8.190 nan 0.000 0.465 289 P HA 0.396 nan 4.420 nan 0.000 0.274 289 P C -2.814 174.072 177.300 -0.690 0.000 1.246 289 P CA -1.517 60.773 63.100 -1.350 0.000 0.795 289 P CB -0.272 30.041 31.700 -2.311 0.000 1.006 290 P HA 0.026 nan 4.420 nan 0.000 0.269 290 P C 0.837 177.964 177.300 -0.289 0.000 1.215 290 P CA 0.150 63.085 63.100 -0.275 0.000 0.780 290 P CB 0.097 31.706 31.700 -0.152 0.000 0.898 291 A N 2.288 124.988 122.820 -0.200 0.000 1.948 291 A HA -0.227 4.093 4.320 -0.000 0.000 0.220 291 A C 2.084 179.551 177.584 -0.196 0.000 1.177 291 A CA 2.457 54.382 52.037 -0.187 0.000 0.636 291 A CB -1.864 17.059 19.000 -0.128 0.000 0.815 291 A HN 0.631 nan 8.150 nan 0.000 0.449 292 S N -1.164 114.440 115.700 -0.160 0.000 2.493 292 S HA -0.030 4.440 4.470 -0.000 0.000 0.243 292 S C 1.352 175.781 174.600 -0.285 0.000 0.991 292 S CA 1.372 59.456 58.200 -0.194 0.000 0.957 292 S CB -0.232 62.924 63.200 -0.073 0.000 0.756 292 S HN 0.277 nan 8.310 nan 0.000 0.521 293 V N 0.355 120.103 119.914 -0.277 0.000 3.307 293 V HA 0.295 4.415 4.120 -0.000 0.000 0.244 293 V C 2.014 177.860 176.094 -0.414 0.000 1.196 293 V CA 0.259 62.365 62.300 -0.323 0.000 1.132 293 V CB -0.191 31.416 31.823 -0.360 0.000 0.875 293 V HN 0.415 nan 8.190 nan 0.000 0.468 294 L N -0.201 120.763 121.223 -0.432 0.000 2.362 294 L HA -0.124 4.215 4.340 -0.000 0.000 0.219 294 L C 2.212 178.970 176.870 -0.187 0.000 1.134 294 L CA 1.188 55.815 54.840 -0.355 0.000 0.807 294 L CB -0.341 41.537 42.059 -0.302 0.000 0.927 294 L HN 0.336 nan 8.230 nan 0.000 0.447 295 I N -0.407 120.055 120.570 -0.179 0.000 2.091 295 I HA -0.269 3.901 4.170 -0.000 0.000 0.240 295 I C 1.503 177.569 176.117 -0.085 0.000 1.046 295 I CA 1.748 62.970 61.300 -0.130 0.000 1.306 295 I CB -0.437 37.472 38.000 -0.151 0.000 1.018 295 I HN 0.337 nan 8.210 nan 0.000 0.404 296 G N -1.163 107.596 108.800 -0.069 0.000 3.243 296 G HA2 0.258 4.218 3.960 -0.000 0.000 0.248 296 G HA3 0.258 4.218 3.960 -0.000 0.000 0.248 296 G C -1.292 173.628 174.900 0.033 0.000 1.267 296 G CA -0.415 44.666 45.100 -0.031 0.000 0.906 296 G HN -0.004 nan 8.290 nan 0.000 0.592 297 D N 1.044 121.430 120.400 -0.024 0.000 2.423 297 D HA 0.345 4.985 4.640 -0.000 0.000 0.238 297 D C 0.257 176.499 176.300 -0.098 0.000 1.142 297 D CA 0.686 54.627 54.000 -0.098 0.000 0.884 297 D CB 0.581 41.279 40.800 -0.170 0.000 1.199 297 D HN 0.551 nan 8.370 nan 0.000 0.438 298 H N -1.281 117.641 119.070 -0.247 0.000 2.933 298 H HA 0.470 5.025 4.556 -0.000 0.000 0.310 298 H C -1.382 173.810 175.328 -0.226 0.000 1.351 298 H CA -0.782 55.132 56.048 -0.223 0.000 1.137 298 H CB 0.468 30.217 29.762 -0.022 0.000 1.853 298 H HN 0.308 nan 8.280 nan 0.000 0.539 299 Y N -0.220 120.313 120.300 0.389 0.000 2.581 299 Y HA 0.420 4.970 4.550 -0.000 0.000 0.345 299 Y C -0.625 175.590 175.900 0.525 0.000 1.036 299 Y CA -1.129 57.202 58.100 0.384 0.000 1.042 299 Y CB 2.029 40.568 38.460 0.132 0.000 1.289 299 Y HN 0.500 nan 8.280 nan 0.000 0.471 300 L N 2.826 124.445 121.223 0.659 0.000 2.265 300 L HA 0.475 4.815 4.340 -0.000 0.000 0.289 300 L C 0.256 177.360 176.870 0.390 0.000 1.033 300 L CA -0.407 54.517 54.840 0.140 0.000 0.814 300 L CB 0.511 42.529 42.059 -0.069 0.000 1.203 300 L HN 0.949 nan 8.230 nan 0.000 0.423 301 C N 1.655 121.033 119.300 0.129 0.000 3.183 301 C HA 0.864 5.324 4.460 -0.000 0.000 0.285 301 C C 0.711 175.651 174.990 -0.084 0.000 1.313 301 C CA -0.015 59.109 59.018 0.176 0.000 1.711 301 C CB -0.865 26.945 27.740 0.117 0.000 2.135 301 C HN 0.925 nan 8.230 nan 0.000 0.651 302 G N 0.138 108.747 108.800 -0.318 0.000 2.733 302 G HA2 0.562 4.522 3.960 -0.000 0.000 0.297 302 G HA3 0.562 4.522 3.960 -0.000 0.000 0.297 302 G C -1.803 172.672 174.900 -0.709 0.000 1.452 302 G CA -0.173 44.641 45.100 -0.477 0.000 0.940 302 G HN 0.293 nan 8.290 nan 0.000 0.547 303 V N 0.820 120.232 119.914 -0.836 0.000 2.638 303 V HA 0.839 4.959 4.120 -0.000 0.000 0.306 303 V C -0.343 175.305 176.094 -0.742 0.000 1.052 303 V CA -0.657 61.008 62.300 -1.057 0.000 0.885 303 V CB 2.152 32.874 31.823 -1.836 0.000 0.999 303 V HN 0.894 nan 8.190 nan 0.000 0.424 304 T N 3.041 117.219 114.554 -0.626 0.000 3.011 304 T HA 0.356 4.706 4.350 -0.000 0.000 0.303 304 T C -1.048 173.416 174.700 -0.394 0.000 0.997 304 T CA -0.435 61.449 62.100 -0.361 0.000 1.007 304 T CB 0.888 69.630 68.868 -0.210 0.000 1.017 304 T HN 0.542 nan 8.240 nan 0.000 0.443 305 W N 2.586 123.794 121.300 -0.153 0.000 2.238 305 W HA 0.382 5.041 4.660 -0.000 0.000 0.321 305 W C 1.113 177.534 176.519 -0.162 0.000 1.293 305 W CA -0.315 56.962 57.345 -0.114 0.000 1.204 305 W CB 0.720 30.202 29.460 0.036 0.000 1.167 305 W HN 0.462 nan 8.180 nan 0.000 0.553 306 V N 1.594 121.499 119.914 -0.014 0.000 2.627 306 V HA 0.096 4.216 4.120 -0.000 0.000 0.239 306 V C 0.861 177.013 176.094 0.096 0.000 1.077 306 V CA 1.537 63.737 62.300 -0.166 0.000 1.103 306 V CB -0.165 31.332 31.823 -0.544 0.000 0.802 306 V HN 0.678 nan 8.190 nan 0.000 0.482 307 T N -4.268 110.411 114.554 0.208 0.000 2.681 307 T HA 0.325 4.674 4.350 -0.000 0.000 0.296 307 T C 0.333 175.244 174.700 0.351 0.000 1.157 307 T CA -0.487 61.753 62.100 0.233 0.000 1.025 307 T CB 1.845 70.822 68.868 0.181 0.000 1.441 307 T HN -0.053 nan 8.240 nan 0.000 0.504 308 E N 0.448 120.809 120.200 0.269 0.000 2.409 308 E HA -0.027 4.323 4.350 -0.000 0.000 0.198 308 E C 0.708 177.605 176.600 0.494 0.000 1.024 308 E CA 0.932 57.517 56.400 0.308 0.000 0.861 308 E CB 0.124 29.936 29.700 0.187 0.000 0.788 308 E HN 0.735 nan 8.360 nan 0.000 0.521 309 E N 0.012 120.459 120.200 0.412 0.000 2.758 309 E HA 0.160 4.510 4.350 -0.000 0.000 0.215 309 E C 0.156 176.989 176.600 0.388 0.000 0.985 309 E CA -0.162 56.437 56.400 0.332 0.000 1.102 309 E CB 1.002 30.826 29.700 0.207 0.000 1.042 309 E HN -0.121 nan 8.360 nan 0.000 0.480 310 R N 1.647 122.437 120.500 0.484 0.000 2.512 310 R HA 0.459 4.798 4.340 -0.000 0.000 0.291 310 R C -1.828 174.536 176.300 0.107 0.000 1.097 310 R CA -0.391 55.882 56.100 0.289 0.000 0.940 310 R CB 1.233 31.598 30.300 0.108 0.000 1.198 310 R HN 0.073 nan 8.270 nan 0.000 0.429 311 I N 2.387 122.887 120.570 -0.118 0.000 2.569 311 I HA 0.414 4.583 4.170 -0.000 0.000 0.296 311 I C -1.047 174.756 176.117 -0.523 0.000 1.028 311 I CA -0.509 60.427 61.300 -0.606 0.000 1.082 311 I CB 2.281 39.553 38.000 -1.213 0.000 1.264 311 I HN 0.640 nan 8.210 nan 0.000 0.429 312 S N 7.558 122.885 115.700 -0.623 0.000 2.456 312 S HA 0.643 5.113 4.470 -0.000 0.000 0.316 312 S C -0.972 173.284 174.600 -0.574 0.000 1.089 312 S CA -0.660 57.243 58.200 -0.494 0.000 1.101 312 S CB 0.546 63.488 63.200 -0.430 0.000 0.995 312 S HN 0.497 nan 8.310 nan 0.000 0.468 313 L N 4.341 125.257 121.223 -0.513 0.000 2.346 313 L HA 0.578 4.918 4.340 -0.000 0.000 0.276 313 L C -0.180 176.392 176.870 -0.497 0.000 1.006 313 L CA -0.677 53.747 54.840 -0.692 0.000 0.817 313 L CB 1.965 43.547 42.059 -0.795 0.000 1.272 313 L HN 0.620 nan 8.230 nan 0.000 0.421 314 Q N 2.268 121.719 119.800 -0.581 0.000 2.341 314 Q HA 0.403 4.743 4.340 -0.000 0.000 0.268 314 Q C -1.886 173.920 176.000 -0.323 0.000 1.013 314 Q CA -0.521 55.092 55.803 -0.318 0.000 0.798 314 Q CB 1.332 29.922 28.738 -0.246 0.000 1.253 314 Q HN 0.462 nan 8.270 nan 0.000 0.457 315 W N 3.841 125.117 121.300 -0.039 0.000 2.706 315 W HA 0.697 5.357 4.660 -0.000 0.000 0.346 315 W C -0.556 176.026 176.519 0.106 0.000 1.071 315 W CA -0.656 56.721 57.345 0.053 0.000 1.206 315 W CB 1.261 30.730 29.460 0.016 0.000 1.413 315 W HN 0.509 nan 8.180 nan 0.000 0.542 316 I N 1.384 122.219 120.570 0.441 0.000 2.769 316 I HA 0.450 4.620 4.170 -0.000 0.000 0.298 316 I C -0.151 176.165 176.117 0.331 0.000 1.128 316 I CA -1.227 60.282 61.300 0.349 0.000 1.031 316 I CB 1.555 39.729 38.000 0.291 0.000 1.235 316 I HN 0.417 nan 8.210 nan 0.000 0.423 317 R N 3.883 124.538 120.500 0.259 0.000 2.707 317 R HA 0.248 4.588 4.340 -0.000 0.000 0.270 317 R C 1.036 177.379 176.300 0.071 0.000 1.083 317 R CA -0.288 55.888 56.100 0.128 0.000 1.182 317 R CB 0.523 30.861 30.300 0.063 0.000 1.084 317 R HN 0.583 nan 8.270 nan 0.000 0.528 318 R N 1.361 121.814 120.500 -0.079 0.000 2.105 318 R HA -0.196 4.144 4.340 -0.000 0.000 0.239 318 R C 1.845 178.177 176.300 0.053 0.000 1.135 318 R CA 1.927 57.948 56.100 -0.133 0.000 0.967 318 R CB -0.306 29.882 30.300 -0.187 0.000 0.861 318 R HN 0.765 nan 8.270 nan 0.000 0.442 319 A N 0.258 123.101 122.820 0.038 0.000 1.940 319 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 319 A C 0.870 178.493 177.584 0.066 0.000 1.176 319 A CA 1.688 53.752 52.037 0.044 0.000 0.631 319 A CB -0.153 18.868 19.000 0.034 0.000 0.814 319 A HN 0.637 nan 8.150 nan 0.000 0.446 320 Q N -2.128 117.743 119.800 0.117 0.000 2.501 320 Q HA -0.175 4.165 4.340 -0.000 0.000 0.275 320 Q C -0.160 175.921 176.000 0.135 0.000 1.074 320 Q CA 0.644 56.528 55.803 0.134 0.000 0.974 320 Q CB -1.872 26.907 28.738 0.069 0.000 1.307 320 Q HN 0.979 nan 8.270 nan 0.000 0.513 321 N N -0.561 118.221 118.700 0.137 0.000 2.194 321 N HA 0.091 4.831 4.740 -0.000 0.000 0.231 321 N C -0.897 174.707 175.510 0.156 0.000 1.247 321 N CA -0.033 53.084 53.050 0.111 0.000 0.884 321 N CB 0.503 39.034 38.487 0.073 0.000 1.146 321 N HN 0.310 nan 8.380 nan 0.000 0.516 322 Y N 1.617 121.946 120.300 0.048 0.000 2.307 322 Y HA 0.507 5.057 4.550 -0.000 0.000 0.323 322 Y C -1.220 174.720 175.900 0.067 0.000 1.100 322 Y CA -1.046 57.081 58.100 0.045 0.000 1.140 322 Y CB 1.078 39.553 38.460 0.026 0.000 1.159 322 Y HN 0.161 nan 8.280 nan 0.000 0.436 323 S N 6.379 122.022 115.700 -0.096 0.000 2.599 323 S HA 0.870 5.340 4.470 -0.000 0.000 0.294 323 S C -1.357 173.184 174.600 -0.099 0.000 1.094 323 S CA -0.798 57.423 58.200 0.035 0.000 0.931 323 S CB 2.409 65.638 63.200 0.049 0.000 1.093 323 S HN 0.806 nan 8.310 nan 0.000 0.488 324 I N 0.910 121.516 120.570 0.061 0.000 2.752 324 I HA 0.537 4.706 4.170 -0.000 0.000 0.295 324 I C -1.883 174.287 176.117 0.087 0.000 1.219 324 I CA -1.280 60.048 61.300 0.046 0.000 1.030 324 I CB 1.677 39.744 38.000 0.111 0.000 1.259 324 I HN 0.797 nan 8.210 nan 0.000 0.423 325 I N 5.630 126.226 120.570 0.042 0.000 2.336 325 I HA 0.309 4.479 4.170 -0.000 0.000 0.292 325 I C -1.097 175.060 176.117 0.065 0.000 0.991 325 I CA -0.246 61.050 61.300 -0.007 0.000 1.227 325 I CB 1.464 39.385 38.000 -0.131 0.000 1.366 325 I HN 0.473 nan 8.210 nan 0.000 0.466 326 D N 7.448 127.873 120.400 0.042 0.000 2.408 326 D HA 0.455 5.095 4.640 -0.000 0.000 0.243 326 D C -0.747 175.542 176.300 -0.019 0.000 1.075 326 D CA -0.272 53.760 54.000 0.054 0.000 0.832 326 D CB 1.243 42.107 40.800 0.108 0.000 1.162 326 D HN 0.262 nan 8.370 nan 0.000 0.515 327 I N 4.200 124.784 120.570 0.023 0.000 2.330 327 I HA 0.274 4.444 4.170 -0.000 0.000 0.286 327 I C -0.344 175.786 176.117 0.023 0.000 1.025 327 I CA -0.712 60.580 61.300 -0.014 0.000 1.197 327 I CB 0.899 38.941 38.000 0.070 0.000 1.358 327 I HN 0.284 nan 8.210 nan 0.000 0.467 328 C N 4.456 123.764 119.300 0.015 0.000 2.330 328 C HA 0.406 4.866 4.460 -0.000 0.000 0.344 328 C C 0.052 175.187 174.990 0.242 0.000 1.273 328 C CA -0.717 58.383 59.018 0.136 0.000 1.879 328 C CB 0.501 28.357 27.740 0.193 0.000 2.376 328 C HN 0.573 nan 8.230 nan 0.000 0.534 329 D N 0.744 121.243 120.400 0.165 0.000 2.168 329 D HA 0.230 4.870 4.640 -0.000 0.000 0.246 329 D C -0.536 175.690 176.300 -0.124 0.000 1.050 329 D CA -0.182 53.869 54.000 0.085 0.000 0.857 329 D CB 0.954 41.768 40.800 0.024 0.000 1.169 329 D HN 0.595 nan 8.370 nan 0.000 0.453 330 Y N 1.808 121.772 120.300 -0.559 0.000 2.402 330 Y HA 0.100 4.650 4.550 -0.000 0.000 0.333 330 Y C 0.079 175.652 175.900 -0.544 0.000 1.076 330 Y CA -0.079 57.365 58.100 -1.093 0.000 1.299 330 Y CB 0.635 38.256 38.460 -1.398 0.000 1.197 330 Y HN 0.168 nan 8.280 nan 0.000 0.517 331 D N 6.045 125.819 120.400 -1.043 0.000 2.396 331 D HA 0.066 4.706 4.640 -0.000 0.000 0.225 331 D C 0.287 176.012 176.300 -0.959 0.000 1.121 331 D CA -0.028 53.541 54.000 -0.719 0.000 0.853 331 D CB 0.816 41.316 40.800 -0.499 0.000 1.043 331 D HN 0.842 nan 8.370 nan 0.000 0.500 332 E N 1.198 121.033 120.200 -0.608 0.000 2.333 332 E HA -0.144 4.206 4.350 -0.000 0.000 0.198 332 E C 1.496 177.967 176.600 -0.215 0.000 1.007 332 E CA 0.751 56.944 56.400 -0.345 0.000 0.845 332 E CB 0.217 29.899 29.700 -0.030 0.000 0.766 332 E HN 0.437 nan 8.360 nan 0.000 0.507 333 S N -0.634 114.935 115.700 -0.219 0.000 2.556 333 S HA 0.015 4.485 4.470 -0.000 0.000 0.216 333 S C 1.600 176.120 174.600 -0.133 0.000 0.970 333 S CA 0.637 58.760 58.200 -0.129 0.000 0.912 333 S CB 0.347 63.491 63.200 -0.094 0.000 0.790 333 S HN 0.251 nan 8.310 nan 0.000 0.504 334 T N -4.564 109.859 114.554 -0.218 0.000 3.028 334 T HA 0.510 4.860 4.350 -0.000 0.000 0.262 334 T C 1.530 176.114 174.700 -0.194 0.000 0.916 334 T CA 0.626 62.624 62.100 -0.170 0.000 0.873 334 T CB -0.015 68.752 68.868 -0.169 0.000 1.232 334 T HN 1.159 nan 8.240 nan 0.000 0.529 335 G N 2.178 110.757 108.800 -0.368 0.000 2.162 335 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.260 335 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.260 335 G C 0.133 174.785 174.900 -0.413 0.000 0.976 335 G CA 0.081 45.023 45.100 -0.264 0.000 0.655 335 G HN 0.724 nan 8.290 nan 0.000 0.533 336 R N -1.276 118.825 120.500 -0.665 0.000 2.528 336 R HA 0.476 4.816 4.340 -0.000 0.000 0.271 336 R C -0.652 175.086 176.300 -0.937 0.000 1.056 336 R CA -0.434 55.047 56.100 -1.030 0.000 1.117 336 R CB 0.604 30.483 30.300 -0.702 0.000 1.085 336 R HN 0.205 nan 8.270 nan 0.000 0.530 337 W N 2.859 123.658 121.300 -0.834 0.000 2.296 337 W HA 0.398 5.058 4.660 -0.000 0.000 0.316 337 W C -0.363 176.105 176.519 -0.085 0.000 1.022 337 W CA -0.291 56.925 57.345 -0.215 0.000 1.324 337 W CB 0.587 30.067 29.460 0.033 0.000 1.227 337 W HN 0.276 nan 8.180 nan 0.000 0.409 338 I N 3.711 124.296 120.570 0.026 0.000 2.428 338 I HA 0.389 4.559 4.170 -0.000 0.000 0.296 338 I C 0.637 176.797 176.117 0.073 0.000 0.985 338 I CA -0.520 60.803 61.300 0.038 0.000 1.260 338 I CB 1.240 39.213 38.000 -0.045 0.000 1.389 338 I HN 0.315 nan 8.210 nan 0.000 0.484 339 S N 3.455 119.195 115.700 0.067 0.000 2.600 339 S HA 0.830 5.300 4.470 -0.000 0.000 0.300 339 S C -0.500 174.116 174.600 0.026 0.000 1.087 339 S CA -0.687 57.544 58.200 0.052 0.000 0.965 339 S CB 1.965 65.196 63.200 0.051 0.000 1.089 339 S HN 0.694 nan 8.310 nan 0.000 0.496 340 S N 0.154 115.867 115.700 0.022 0.000 2.549 340 S HA 0.496 4.966 4.470 -0.000 0.000 0.280 340 S C 0.567 175.165 174.600 -0.003 0.000 1.109 340 S CA -0.751 57.454 58.200 0.007 0.000 0.905 340 S CB 1.000 64.206 63.200 0.010 0.000 1.081 340 S HN 0.624 nan 8.310 nan 0.000 0.477 341 V N 1.826 121.731 119.914 -0.016 0.000 2.568 341 V HA -0.162 3.958 4.120 -0.000 0.000 0.253 341 V C 2.873 178.937 176.094 -0.050 0.000 1.072 341 V CA 2.463 64.745 62.300 -0.031 0.000 1.084 341 V CB -1.557 30.248 31.823 -0.030 0.000 0.676 341 V HN 1.020 nan 8.190 nan 0.000 0.469 342 A N -0.105 122.696 122.820 -0.033 0.000 1.969 342 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 342 A C 2.191 179.748 177.584 -0.045 0.000 1.169 342 A CA 1.152 53.166 52.037 -0.038 0.000 0.635 342 A CB -0.339 18.657 19.000 -0.006 0.000 0.810 342 A HN 0.532 nan 8.150 nan 0.000 0.445 343 R N -0.130 120.372 120.500 0.003 0.000 2.426 343 R HA 0.148 4.488 4.340 -0.000 0.000 0.263 343 R C -0.452 175.887 176.300 0.064 0.000 0.961 343 R CA -0.007 56.149 56.100 0.093 0.000 1.086 343 R CB 0.173 30.552 30.300 0.132 0.000 1.186 343 R HN 0.621 nan 8.270 nan 0.000 0.537 344 Q N 0.184 119.910 119.800 -0.123 0.000 2.282 344 Q HA 0.283 4.623 4.340 -0.000 0.000 0.260 344 Q C -1.069 174.728 176.000 -0.338 0.000 0.964 344 Q CA -0.533 55.219 55.803 -0.085 0.000 0.880 344 Q CB 1.924 30.635 28.738 -0.044 0.000 1.286 344 Q HN 0.201 nan 8.270 nan 0.000 0.445 345 H N 1.119 120.205 119.070 0.027 0.000 2.906 345 H HA 0.400 4.956 4.556 -0.000 0.000 0.324 345 H C -0.735 174.570 175.328 -0.038 0.000 0.973 345 H CA -0.363 55.699 56.048 0.022 0.000 1.321 345 H CB 0.889 30.668 29.762 0.029 0.000 1.535 345 H HN 0.437 nan 8.280 nan 0.000 0.518 346 I N 2.027 122.605 120.570 0.014 0.000 2.472 346 I HA 0.244 4.414 4.170 -0.000 0.000 0.290 346 I C 0.220 176.273 176.117 -0.107 0.000 1.016 346 I CA -0.169 61.054 61.300 -0.128 0.000 1.348 346 I CB 1.257 39.147 38.000 -0.184 0.000 1.417 346 I HN 0.596 nan 8.210 nan 0.000 0.521 347 E N 7.255 127.330 120.200 -0.208 0.000 2.281 347 E HA 0.536 4.886 4.350 -0.000 0.000 0.266 347 E C -1.429 175.061 176.600 -0.182 0.000 0.893 347 E CA -0.572 55.759 56.400 -0.115 0.000 0.798 347 E CB 1.843 31.517 29.700 -0.043 0.000 1.245 347 E HN 0.632 nan 8.360 nan 0.000 0.410 348 I N 0.307 120.805 120.570 -0.120 0.000 3.108 348 I HA 0.750 4.920 4.170 -0.000 0.000 0.312 348 I C -1.009 175.093 176.117 -0.026 0.000 1.095 348 I CA -0.789 60.464 61.300 -0.079 0.000 1.000 348 I CB 2.392 40.364 38.000 -0.047 0.000 1.229 348 I HN 0.340 nan 8.210 nan 0.000 0.454 349 S N 0.451 116.143 115.700 -0.013 0.000 2.571 349 S HA 0.491 4.961 4.470 -0.000 0.000 0.284 349 S C 0.253 174.834 174.600 -0.033 0.000 1.128 349 S CA 0.033 58.211 58.200 -0.037 0.000 0.970 349 S CB 1.426 64.571 63.200 -0.091 0.000 1.039 349 S HN 0.881 nan 8.310 nan 0.000 0.485 350 T N -0.103 114.431 114.554 -0.033 0.000 3.014 350 T HA 0.074 4.424 4.350 -0.000 0.000 0.250 350 T C 1.405 176.077 174.700 -0.047 0.000 1.060 350 T CA 0.811 62.895 62.100 -0.026 0.000 1.040 350 T CB -0.249 68.613 68.868 -0.011 0.000 0.971 350 T HN 0.673 nan 8.240 nan 0.000 0.497 351 T N -2.062 112.448 114.554 -0.073 0.000 3.054 351 T HA 0.655 5.004 4.350 -0.000 0.000 0.255 351 T C 1.060 175.596 174.700 -0.273 0.000 1.035 351 T CA 0.326 62.376 62.100 -0.083 0.000 0.941 351 T CB 0.520 69.400 68.868 0.020 0.000 1.026 351 T HN 0.613 nan 8.240 nan 0.000 0.533 352 G N 0.809 109.347 108.800 -0.437 0.000 2.623 352 G HA2 0.424 4.384 3.960 -0.000 0.000 0.085 352 G HA3 0.424 4.384 3.960 -0.000 0.000 0.085 352 G C -1.768 172.925 174.900 -0.345 0.000 1.116 352 G CA -0.378 44.333 45.100 -0.649 0.000 1.200 352 G HN 0.539 nan 8.290 nan 0.000 0.556 353 W N 0.215 121.241 121.300 -0.456 0.000 2.671 353 W HA 0.823 5.483 4.660 -0.000 0.000 0.360 353 W C -0.412 176.054 176.519 -0.088 0.000 1.128 353 W CA -1.431 55.782 57.345 -0.221 0.000 1.184 353 W CB 1.162 30.469 29.460 -0.254 0.000 1.415 353 W HN 0.308 nan 8.180 nan 0.000 0.604 354 V N 3.438 123.428 119.914 0.126 0.000 2.546 354 V HA 0.621 4.741 4.120 -0.000 0.000 0.284 354 V C 0.990 177.178 176.094 0.156 0.000 1.050 354 V CA 0.830 63.174 62.300 0.073 0.000 0.981 354 V CB 0.098 31.964 31.823 0.073 0.000 0.990 354 V HN 1.303 nan 8.190 nan 0.000 0.474 355 G N 5.333 114.183 108.800 0.083 0.000 2.697 355 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.240 355 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.240 355 G C 0.457 175.460 174.900 0.171 0.000 1.346 355 G CA 0.563 45.731 45.100 0.113 0.000 0.887 355 G HN 0.657 nan 8.290 nan 0.000 0.569 356 R N -1.627 118.966 120.500 0.156 0.000 2.041 356 R HA 0.305 4.645 4.340 -0.000 0.000 0.221 356 R C 2.317 178.630 176.300 0.022 0.000 1.196 356 R CA 1.771 57.920 56.100 0.082 0.000 0.969 356 R CB -0.145 30.161 30.300 0.009 0.000 0.858 356 R HN 0.405 nan 8.270 nan 0.000 0.444 357 F N -0.077 120.006 119.950 0.221 0.000 2.712 357 F HA 0.266 4.793 4.527 -0.000 0.000 0.297 357 F C 0.507 176.363 175.800 0.094 0.000 1.114 357 F CA -0.200 57.893 58.000 0.155 0.000 1.305 357 F CB 0.671 39.772 39.000 0.167 0.000 1.086 357 F HN -0.047 nan 8.300 nan 0.000 0.599 358 R N -0.587 120.078 120.500 0.275 0.000 2.712 358 R HA 0.375 4.714 4.340 -0.000 0.000 0.272 358 R C -3.294 173.099 176.300 0.155 0.000 1.032 358 R CA -1.818 54.388 56.100 0.177 0.000 0.874 358 R CB 0.525 30.912 30.300 0.146 0.000 1.256 358 R HN -0.341 nan 8.270 nan 0.000 0.468 359 P HA 0.056 nan 4.420 nan 0.000 0.269 359 P C -0.301 177.039 177.300 0.068 0.000 1.209 359 P CA -0.022 63.127 63.100 0.081 0.000 0.776 359 P CB 0.696 32.424 31.700 0.048 0.000 0.876 360 A N 3.021 125.884 122.820 0.071 0.000 2.425 360 A HA 0.142 4.462 4.320 -0.000 0.000 0.242 360 A C 0.591 178.192 177.584 0.028 0.000 1.077 360 A CA -0.233 51.853 52.037 0.082 0.000 0.781 360 A CB -0.150 18.916 19.000 0.110 0.000 1.020 360 A HN 0.512 nan 8.150 nan 0.000 0.494 361 E N 1.782 122.002 120.200 0.033 0.000 2.301 361 E HA 0.334 4.684 4.350 -0.000 0.000 0.275 361 E C -2.348 174.191 176.600 -0.101 0.000 1.030 361 E CA -1.612 54.741 56.400 -0.078 0.000 0.852 361 E CB 0.666 30.295 29.700 -0.118 0.000 1.060 361 E HN 0.479 nan 8.360 nan 0.000 0.401 362 P HA 0.189 nan 4.420 nan 0.000 0.281 362 P C -0.657 176.461 177.300 -0.303 0.000 1.249 362 P CA -0.195 62.722 63.100 -0.303 0.000 0.810 362 P CB 0.999 32.196 31.700 -0.840 0.000 1.008 363 H N 2.054 121.096 119.070 -0.046 0.000 2.762 363 H HA 0.292 4.848 4.556 -0.000 0.000 0.310 363 H C -0.216 175.188 175.328 0.125 0.000 1.004 363 H CA -0.298 55.817 56.048 0.110 0.000 1.267 363 H CB 0.287 30.139 29.762 0.150 0.000 1.437 363 H HN 0.295 nan 8.280 nan 0.000 0.498 364 F N 1.550 121.638 119.950 0.229 0.000 2.380 364 F HA 0.109 4.636 4.527 -0.000 0.000 0.325 364 F C 1.605 177.564 175.800 0.265 0.000 1.136 364 F CA -0.474 57.681 58.000 0.258 0.000 1.171 364 F CB 0.888 39.974 39.000 0.142 0.000 1.230 364 F HN 0.331 nan 8.300 nan 0.000 0.554 365 T N -1.965 112.861 114.554 0.452 0.000 2.849 365 T HA 0.153 4.503 4.350 -0.000 0.000 0.284 365 T C 1.141 176.015 174.700 0.290 0.000 1.004 365 T CA -0.625 61.675 62.100 0.334 0.000 1.021 365 T CB 1.163 70.211 68.868 0.300 0.000 1.013 365 T HN 0.508 nan 8.240 nan 0.000 0.527 366 S N 1.229 117.060 115.700 0.218 0.000 2.374 366 S HA -0.169 4.301 4.470 -0.000 0.000 0.227 366 S C 1.897 176.602 174.600 0.175 0.000 1.037 366 S CA 1.698 60.007 58.200 0.182 0.000 1.024 366 S CB -0.594 62.692 63.200 0.144 0.000 0.861 366 S HN 0.947 nan 8.310 nan 0.000 0.456 367 D N 0.198 120.702 120.400 0.174 0.000 2.219 367 D HA 0.007 4.647 4.640 -0.000 0.000 0.205 367 D C 1.471 177.880 176.300 0.182 0.000 0.970 367 D CA 1.016 55.111 54.000 0.158 0.000 0.851 367 D CB -0.634 40.252 40.800 0.143 0.000 0.943 367 D HN 0.526 nan 8.370 nan 0.000 0.488 368 G N 1.148 110.094 108.800 0.245 0.000 2.143 368 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.249 368 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.249 368 G C 0.622 175.720 174.900 0.330 0.000 0.981 368 G CA 0.387 45.667 45.100 0.300 0.000 0.665 368 G HN 0.468 nan 8.290 nan 0.000 0.528 369 N N -0.053 118.808 118.700 0.268 0.000 2.412 369 N HA 0.305 5.045 4.740 -0.000 0.000 0.184 369 N C 0.802 176.447 175.510 0.225 0.000 1.101 369 N CA 0.703 53.887 53.050 0.222 0.000 0.881 369 N CB 0.235 38.814 38.487 0.154 0.000 0.969 369 N HN 0.713 nan 8.380 nan 0.000 0.459 370 S N -0.279 115.586 115.700 0.275 0.000 2.588 370 S HA 0.645 5.115 4.470 -0.000 0.000 0.269 370 S C -1.280 173.424 174.600 0.173 0.000 1.157 370 S CA -1.117 57.175 58.200 0.153 0.000 0.824 370 S CB 1.196 64.467 63.200 0.118 0.000 1.126 370 S HN 0.163 nan 8.310 nan 0.000 0.464 371 F N -1.392 118.424 119.950 -0.224 0.000 2.662 371 F HA 0.868 5.395 4.527 -0.000 0.000 0.312 371 F C -2.174 173.421 175.800 -0.341 0.000 1.113 371 F CA -1.473 56.289 58.000 -0.397 0.000 0.951 371 F CB 0.733 39.040 39.000 -1.154 0.000 1.344 371 F HN 0.597 nan 8.300 nan 0.000 0.462 372 Y N 1.206 121.593 120.300 0.145 0.000 2.393 372 Y HA 0.665 5.215 4.550 -0.000 0.000 0.341 372 Y C -0.355 175.677 175.900 0.219 0.000 0.988 372 Y CA -0.962 57.208 58.100 0.116 0.000 1.078 372 Y CB 2.169 40.629 38.460 -0.000 0.000 1.203 372 Y HN 0.763 nan 8.280 nan 0.000 0.453 373 K N 3.265 123.869 120.400 0.341 0.000 2.543 373 K HA 0.539 4.859 4.320 -0.000 0.000 0.255 373 K C -1.725 175.013 176.600 0.230 0.000 0.934 373 K CA -0.553 55.899 56.287 0.275 0.000 0.810 373 K CB 1.599 34.205 32.500 0.178 0.000 1.315 373 K HN 0.742 nan 8.250 nan 0.000 0.433 374 I N 6.198 126.872 120.570 0.174 0.000 2.471 374 I HA 0.238 4.408 4.170 -0.000 0.000 0.286 374 I C 0.314 176.520 176.117 0.148 0.000 1.079 374 I CA -0.221 61.163 61.300 0.141 0.000 1.398 374 I CB 0.234 38.296 38.000 0.103 0.000 1.403 374 I HN 0.542 nan 8.210 nan 0.000 0.530 375 I N 1.364 122.046 120.570 0.187 0.000 3.195 375 I HA 0.486 4.656 4.170 -0.000 0.000 0.313 375 I C -0.552 175.683 176.117 0.197 0.000 1.237 375 I CA -0.873 60.535 61.300 0.179 0.000 0.963 375 I CB 2.150 40.280 38.000 0.216 0.000 1.278 375 I HN 0.223 nan 8.210 nan 0.000 0.460 376 S N 2.778 118.548 115.700 0.116 0.000 2.528 376 S HA 0.258 4.728 4.470 -0.000 0.000 0.277 376 S C -0.096 174.568 174.600 0.106 0.000 1.297 376 S CA -0.608 57.612 58.200 0.033 0.000 1.052 376 S CB 0.234 63.399 63.200 -0.059 0.000 0.917 376 S HN 0.771 nan 8.310 nan 0.000 0.492 377 N N 2.393 121.042 118.700 -0.084 0.000 2.431 377 N HA 0.177 4.917 4.740 -0.000 0.000 0.289 377 N C 0.627 176.047 175.510 -0.150 0.000 1.277 377 N CA -0.562 52.289 53.050 -0.331 0.000 0.972 377 N CB -0.063 37.838 38.487 -0.976 0.000 1.143 377 N HN 0.355 nan 8.380 nan 0.000 0.578 378 E N -0.345 119.754 120.200 -0.169 0.000 2.130 378 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 378 E C 0.898 177.457 176.600 -0.068 0.000 0.998 378 E CA 1.769 58.119 56.400 -0.085 0.000 0.806 378 E CB -0.344 29.305 29.700 -0.085 0.000 0.738 378 E HN 0.749 nan 8.360 nan 0.000 0.459 379 E N -0.736 119.427 120.200 -0.061 0.000 2.489 379 E HA 0.160 4.510 4.350 -0.000 0.000 0.193 379 E C 0.836 177.457 176.600 0.035 0.000 1.057 379 E CA 0.327 56.747 56.400 0.032 0.000 0.866 379 E CB 0.317 30.074 29.700 0.096 0.000 0.916 379 E HN 0.358 nan 8.360 nan 0.000 0.500 380 G N 0.830 109.585 108.800 -0.076 0.000 2.157 380 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.239 380 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.239 380 G C -0.336 174.322 174.900 -0.404 0.000 0.982 380 G CA -0.202 44.749 45.100 -0.247 0.000 0.650 380 G HN 0.211 nan 8.290 nan 0.000 0.527 381 Y N 0.729 120.902 120.300 -0.213 0.000 2.361 381 Y HA 0.576 5.126 4.550 -0.000 0.000 0.332 381 Y C 0.949 176.649 175.900 -0.334 0.000 1.101 381 Y CA -0.707 57.230 58.100 -0.272 0.000 1.137 381 Y CB 1.124 39.424 38.460 -0.267 0.000 1.207 381 Y HN -0.017 nan 8.280 nan 0.000 0.463 382 K N 4.171 124.394 120.400 -0.294 0.000 2.285 382 K HA 0.287 4.607 4.320 -0.000 0.000 0.286 382 K C -0.792 175.487 176.600 -0.535 0.000 1.072 382 K CA -0.313 55.817 56.287 -0.262 0.000 0.913 382 K CB 0.380 32.791 32.500 -0.148 0.000 1.067 382 K HN 0.643 nan 8.250 nan 0.000 0.479 383 H N 1.320 120.354 119.070 -0.060 0.000 2.908 383 H HA 0.369 4.924 4.556 -0.000 0.000 0.350 383 H C -0.165 175.219 175.328 0.094 0.000 1.217 383 H CA -0.938 55.052 56.048 -0.097 0.000 1.168 383 H CB 1.392 31.003 29.762 -0.252 0.000 1.891 383 H HN 0.339 nan 8.280 nan 0.000 0.566 384 I N 1.313 121.963 120.570 0.132 0.000 2.396 384 I HA 0.054 4.224 4.170 -0.000 0.000 0.289 384 I C 0.331 176.473 176.117 0.041 0.000 1.056 384 I CA 0.077 61.414 61.300 0.061 0.000 1.365 384 I CB 0.357 38.302 38.000 -0.092 0.000 1.407 384 I HN 0.128 nan 8.210 nan 0.000 0.509 385 c N 6.572 125.131 118.600 -0.068 0.000 2.382 385 c HA 0.322 4.892 4.570 -0.000 0.000 0.327 385 c C 0.065 173.977 174.090 -0.297 0.000 1.250 385 c CA -0.431 55.621 56.329 -0.463 0.000 1.707 385 c CB 0.667 42.600 42.510 -0.961 0.000 2.272 385 c HN 0.763 nan 8.230 nan 0.000 0.506 386 H N 3.888 122.613 119.070 -0.576 0.000 2.604 386 H HA 0.486 5.042 4.556 -0.000 0.000 0.306 386 H C -1.159 173.692 175.328 -0.795 0.000 1.075 386 H CA -0.317 55.330 56.048 -0.668 0.000 1.357 386 H CB 0.433 29.908 29.762 -0.478 0.000 1.426 386 H HN 0.579 nan 8.280 nan 0.000 0.470 387 F N 2.469 121.896 119.950 -0.871 0.000 2.507 387 F HA 0.190 4.717 4.527 -0.000 0.000 0.327 387 F C 0.084 175.342 175.800 -0.904 0.000 1.068 387 F CA -0.858 56.510 58.000 -1.053 0.000 0.965 387 F CB 1.832 39.742 39.000 -1.817 0.000 1.192 387 F HN 0.511 nan 8.300 nan 0.000 0.476 388 Q N 0.511 120.094 119.800 -0.361 0.000 2.290 388 Q HA 0.312 4.652 4.340 -0.000 0.000 0.259 388 Q C 0.768 176.807 176.000 0.065 0.000 0.941 388 Q CA -0.061 55.637 55.803 -0.175 0.000 0.912 388 Q CB 1.750 30.405 28.738 -0.138 0.000 1.244 388 Q HN 0.761 nan 8.270 nan 0.000 0.441 389 T N 1.996 116.658 114.554 0.180 0.000 2.721 389 T HA -0.207 4.143 4.350 -0.000 0.000 0.268 389 T C 0.189 175.130 174.700 0.401 0.000 1.038 389 T CA 2.011 64.349 62.100 0.397 0.000 1.145 389 T CB -0.123 68.976 68.868 0.385 0.000 0.858 389 T HN 0.776 nan 8.240 nan 0.000 0.459 390 D N -0.083 120.451 120.400 0.223 0.000 2.463 390 D HA 0.156 4.796 4.640 -0.000 0.000 0.224 390 D C 0.008 176.353 176.300 0.074 0.000 1.174 390 D CA -0.376 53.706 54.000 0.138 0.000 0.829 390 D CB 0.271 41.124 40.800 0.089 0.000 0.993 390 D HN 0.079 nan 8.370 nan 0.000 0.497 391 K N -0.185 120.280 120.400 0.108 0.000 2.426 391 K HA 0.351 4.670 4.320 -0.000 0.000 0.251 391 K C 0.506 177.147 176.600 0.068 0.000 0.941 391 K CA -0.605 55.703 56.287 0.035 0.000 0.808 391 K CB 1.807 34.300 32.500 -0.011 0.000 1.265 391 K HN -0.002 nan 8.250 nan 0.000 0.432 392 S N -0.287 115.411 115.700 -0.004 0.000 2.501 392 S HA -0.080 4.390 4.470 -0.000 0.000 0.220 392 S C 0.473 175.090 174.600 0.030 0.000 0.997 392 S CA -0.018 58.194 58.200 0.021 0.000 0.919 392 S CB -0.601 62.578 63.200 -0.035 0.000 0.778 392 S HN 0.709 nan 8.310 nan 0.000 0.523 393 N N 1.449 120.111 118.700 -0.062 0.000 2.499 393 N HA 0.480 5.220 4.740 -0.000 0.000 0.281 393 N C -0.127 175.176 175.510 -0.345 0.000 1.098 393 N CA -0.593 52.359 53.050 -0.164 0.000 0.979 393 N CB 1.017 39.420 38.487 -0.140 0.000 1.121 393 N HN 0.468 nan 8.380 nan 0.000 0.466 394 c N -0.170 118.094 118.600 -0.560 0.000 2.771 394 c HA 0.810 5.380 4.570 -0.000 0.000 0.333 394 c C -0.367 173.329 174.090 -0.657 0.000 1.267 394 c CA -0.661 55.122 56.329 -0.909 0.000 1.721 394 c CB 1.148 42.499 42.510 -1.931 0.000 2.222 394 c HN 0.727 nan 8.230 nan 0.000 0.485 395 T N 1.904 116.095 114.554 -0.605 0.000 2.840 395 T HA 0.491 4.840 4.350 -0.000 0.000 0.287 395 T C -0.778 173.708 174.700 -0.357 0.000 0.991 395 T CA 0.126 62.022 62.100 -0.340 0.000 0.964 395 T CB 0.430 69.229 68.868 -0.115 0.000 0.954 395 T HN 0.493 nan 8.240 nan 0.000 0.438 396 F N 3.258 123.090 119.950 -0.198 0.000 2.529 396 F HA 0.250 4.777 4.527 -0.000 0.000 0.365 396 F C 1.634 177.273 175.800 -0.268 0.000 1.102 396 F CA -0.738 57.132 58.000 -0.216 0.000 1.271 396 F CB 0.464 39.345 39.000 -0.198 0.000 1.120 396 F HN 0.581 nan 8.300 nan 0.000 0.579 397 I N -0.616 119.832 120.570 -0.203 0.000 4.082 397 I HA 0.277 4.446 4.170 -0.000 0.000 0.337 397 I C -0.041 175.916 176.117 -0.266 0.000 1.352 397 I CA 0.049 61.022 61.300 -0.546 0.000 1.097 397 I CB 0.092 37.448 38.000 -1.074 0.000 1.048 397 I HN 0.488 nan 8.210 nan 0.000 0.393 398 T N -0.060 114.384 114.554 -0.183 0.000 2.900 398 T HA 0.712 5.062 4.350 -0.000 0.000 0.303 398 T C -0.831 173.466 174.700 -0.671 0.000 1.142 398 T CA -0.671 61.284 62.100 -0.242 0.000 1.007 398 T CB 2.820 71.597 68.868 -0.151 0.000 1.156 398 T HN 0.311 nan 8.240 nan 0.000 0.490 399 K N 0.155 119.997 120.400 -0.930 0.000 2.579 399 K HA 0.867 5.186 4.320 -0.000 0.000 0.284 399 K C -0.295 175.672 176.600 -1.056 0.000 0.990 399 K CA -0.404 55.046 56.287 -1.395 0.000 0.880 399 K CB 1.333 33.423 32.500 -0.682 0.000 1.488 399 K HN 1.877 nan 8.250 nan 0.000 0.425 400 G N -0.920 107.342 108.800 -0.898 0.000 2.351 400 G HA2 0.408 4.368 3.960 -0.000 0.000 0.353 400 G HA3 0.408 4.368 3.960 -0.000 0.000 0.353 400 G C -1.330 173.091 174.900 -0.799 0.000 1.358 400 G CA -0.240 44.497 45.100 -0.606 0.000 0.995 400 G HN 0.991 nan 8.290 nan 0.000 0.611 401 A N 0.913 123.397 122.820 -0.561 0.000 3.202 401 A HA 0.650 4.970 4.320 -0.000 0.000 0.258 401 A C 0.234 177.722 177.584 -0.159 0.000 1.572 401 A CA 0.563 52.070 52.037 -0.883 0.000 1.241 401 A CB -1.108 17.636 19.000 -0.426 0.000 1.127 401 A HN 1.724 nan 8.150 nan 0.000 0.648 402 W N -0.950 120.289 121.300 -0.102 0.000 2.937 402 W HA 0.646 5.306 4.660 -0.000 0.000 0.360 402 W C -1.168 175.397 176.519 0.077 0.000 1.215 402 W CA -0.779 56.624 57.345 0.096 0.000 1.183 402 W CB 0.328 29.812 29.460 0.040 0.000 1.458 402 W HN 0.225 nan 8.180 nan 0.000 0.574 403 E N 0.687 121.080 120.200 0.321 0.000 2.343 403 E HA 0.465 4.815 4.350 -0.000 0.000 0.270 403 E C -1.235 175.481 176.600 0.194 0.000 0.895 403 E CA -1.177 55.215 56.400 -0.014 0.000 0.767 403 E CB 3.352 33.077 29.700 0.041 0.000 1.248 403 E HN 0.153 nan 8.360 nan 0.000 0.440 404 V N 3.603 123.504 119.914 -0.021 0.000 2.461 404 V HA 0.027 4.147 4.120 -0.000 0.000 0.275 404 V C 1.210 177.396 176.094 0.153 0.000 1.047 404 V CA -0.123 62.255 62.300 0.129 0.000 0.955 404 V CB 0.650 32.440 31.823 -0.055 0.000 0.988 404 V HN 0.682 nan 8.190 nan 0.000 0.471 405 I N 3.179 123.877 120.570 0.213 0.000 2.333 405 I HA 0.232 4.402 4.170 -0.000 0.000 0.246 405 I C 1.121 177.359 176.117 0.201 0.000 1.106 405 I CA 1.245 62.671 61.300 0.211 0.000 1.411 405 I CB -0.898 37.183 38.000 0.134 0.000 1.082 405 I HN 0.761 nan 8.210 nan 0.000 0.420 406 G N 0.569 109.484 108.800 0.192 0.000 2.519 406 G HA2 0.479 4.438 3.960 -0.000 0.000 0.292 406 G HA3 0.479 4.438 3.960 -0.000 0.000 0.292 406 G C -1.236 173.746 174.900 0.136 0.000 1.507 406 G CA -0.660 44.540 45.100 0.167 0.000 0.806 406 G HN -0.031 nan 8.290 nan 0.000 0.523 407 I N 1.626 122.198 120.570 0.003 0.000 2.352 407 I HA 0.217 4.386 4.170 -0.000 0.000 0.290 407 I C 0.898 176.921 176.117 -0.156 0.000 1.036 407 I CA -0.492 60.702 61.300 -0.177 0.000 1.336 407 I CB 1.684 39.304 38.000 -0.634 0.000 1.407 407 I HN 0.517 nan 8.210 nan 0.000 0.497 408 E N 4.723 124.893 120.200 -0.050 0.000 2.166 408 E HA 0.244 4.594 4.350 -0.000 0.000 0.192 408 E C 0.249 176.752 176.600 -0.163 0.000 0.967 408 E CA 0.378 56.767 56.400 -0.020 0.000 0.840 408 E CB 0.710 30.451 29.700 0.067 0.000 0.795 408 E HN 0.739 nan 8.360 nan 0.000 0.470 409 A N 0.307 122.943 122.820 -0.307 0.000 2.609 409 A HA 0.640 4.960 4.320 -0.000 0.000 0.291 409 A C -1.918 175.589 177.584 -0.128 0.000 1.096 409 A CA -0.599 51.228 52.037 -0.349 0.000 0.684 409 A CB 1.473 19.849 19.000 -1.040 0.000 1.282 409 A HN 0.043 nan 8.150 nan 0.000 0.412 410 L N 1.014 122.211 121.223 -0.044 0.000 2.516 410 L HA 0.715 5.055 4.340 -0.000 0.000 0.267 410 L C 0.006 176.910 176.870 0.058 0.000 0.957 410 L CA 0.488 55.332 54.840 0.008 0.000 0.860 410 L CB 1.951 44.025 42.059 0.025 0.000 1.265 410 L HN 1.225 nan 8.230 nan 0.000 0.403 411 T N -0.263 114.341 114.554 0.082 0.000 2.905 411 T HA 0.454 4.804 4.350 -0.000 0.000 0.283 411 T C 1.006 175.737 174.700 0.052 0.000 1.031 411 T CA 0.059 62.217 62.100 0.097 0.000 1.002 411 T CB 1.257 70.224 68.868 0.164 0.000 1.200 411 T HN 0.665 nan 8.240 nan 0.000 0.560 412 S N -0.701 115.027 115.700 0.047 0.000 2.515 412 S HA -0.019 4.451 4.470 -0.000 0.000 0.231 412 S C 0.728 175.290 174.600 -0.064 0.000 0.987 412 S CA 0.625 58.837 58.200 0.020 0.000 0.936 412 S CB -0.411 62.809 63.200 0.034 0.000 0.766 412 S HN 0.701 nan 8.310 nan 0.000 0.528 413 D N -0.534 119.785 120.400 -0.135 0.000 2.463 413 D HA 0.251 4.891 4.640 -0.000 0.000 0.237 413 D C -0.296 175.610 176.300 -0.658 0.000 1.013 413 D CA 0.617 54.360 54.000 -0.428 0.000 0.910 413 D CB 0.286 40.733 40.800 -0.588 0.000 1.080 413 D HN 0.445 nan 8.370 nan 0.000 0.498 414 Y N -0.236 120.010 120.300 -0.090 0.000 2.634 414 Y HA 0.572 5.122 4.550 -0.000 0.000 0.340 414 Y C -0.542 175.189 175.900 -0.282 0.000 1.058 414 Y CA -1.141 56.822 58.100 -0.227 0.000 1.081 414 Y CB 2.298 40.523 38.460 -0.392 0.000 1.295 414 Y HN -0.300 nan 8.280 nan 0.000 0.487 415 L N 1.638 122.731 121.223 -0.215 0.000 2.406 415 L HA 0.585 4.925 4.340 -0.000 0.000 0.272 415 L C -1.998 174.710 176.870 -0.270 0.000 0.980 415 L CA -0.578 54.122 54.840 -0.232 0.000 0.831 415 L CB 1.057 42.915 42.059 -0.336 0.000 1.253 415 L HN 0.600 nan 8.230 nan 0.000 0.406 416 Y N 4.696 124.875 120.300 -0.201 0.000 2.342 416 Y HA 0.599 5.149 4.550 -0.000 0.000 0.334 416 Y C -0.301 175.541 175.900 -0.096 0.000 1.067 416 Y CA -0.408 57.546 58.100 -0.244 0.000 1.128 416 Y CB 1.318 39.448 38.460 -0.550 0.000 1.200 416 Y HN 0.540 nan 8.280 nan 0.000 0.464 417 Y N -0.425 119.901 120.300 0.044 0.000 2.705 417 Y HA 0.829 5.379 4.550 -0.000 0.000 0.332 417 Y C -1.864 174.111 175.900 0.125 0.000 1.221 417 Y CA -2.059 56.069 58.100 0.047 0.000 1.059 417 Y CB 1.209 39.679 38.460 0.016 0.000 1.298 417 Y HN 0.401 nan 8.280 nan 0.000 0.459 418 I N 2.542 123.298 120.570 0.310 0.000 2.509 418 I HA 0.657 4.827 4.170 -0.000 0.000 0.293 418 I C -0.635 175.684 176.117 0.337 0.000 1.020 418 I CA -0.595 60.840 61.300 0.225 0.000 1.088 418 I CB 2.186 40.271 38.000 0.141 0.000 1.267 418 I HN 0.879 nan 8.210 nan 0.000 0.430 419 S N 3.049 118.909 115.700 0.266 0.000 2.638 419 S HA 0.439 4.909 4.470 -0.000 0.000 0.274 419 S C -0.613 174.060 174.600 0.121 0.000 1.157 419 S CA -0.851 57.495 58.200 0.242 0.000 0.826 419 S CB 1.802 65.172 63.200 0.285 0.000 1.139 419 S HN 0.650 nan 8.310 nan 0.000 0.474 420 N N -0.379 118.400 118.700 0.131 0.000 2.389 420 N HA 0.131 4.871 4.740 -0.000 0.000 0.260 420 N C 0.541 176.066 175.510 0.024 0.000 1.191 420 N CA -0.181 52.904 53.050 0.060 0.000 0.885 420 N CB 0.230 38.743 38.487 0.044 0.000 1.162 420 N HN 0.857 nan 8.380 nan 0.000 0.512 421 E N 0.325 120.408 120.200 -0.195 0.000 2.072 421 E HA -0.233 4.117 4.350 -0.000 0.000 0.191 421 E C -0.084 176.377 176.600 -0.232 0.000 0.985 421 E CA 0.419 56.467 56.400 -0.588 0.000 0.801 421 E CB -0.202 28.460 29.700 -1.732 0.000 0.750 421 E HN 0.483 nan 8.360 nan 0.000 0.452 422 H N 0.908 119.902 119.070 -0.126 0.000 3.094 422 H HA -0.037 4.519 4.556 -0.000 0.000 0.320 422 H C 0.124 175.431 175.328 -0.035 0.000 1.000 422 H CA 1.126 57.148 56.048 -0.043 0.000 1.413 422 H CB 0.333 30.098 29.762 0.004 0.000 1.405 422 H HN 0.093 nan 8.280 nan 0.000 0.586 423 K N 2.967 123.103 120.400 -0.440 0.000 3.274 423 K HA -0.206 4.114 4.320 -0.000 0.000 0.305 423 K C 0.994 177.558 176.600 -0.059 0.000 1.225 423 K CA 1.311 57.433 56.287 -0.275 0.000 0.904 423 K CB -1.550 30.780 32.500 -0.283 0.000 1.227 423 K HN 1.103 nan 8.250 nan 0.000 0.453 424 G N -0.237 108.542 108.800 -0.034 0.000 2.225 424 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.267 424 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.267 424 G C 0.024 174.973 174.900 0.082 0.000 1.024 424 G CA 0.656 45.798 45.100 0.070 0.000 0.784 424 G HN 0.301 nan 8.290 nan 0.000 0.507 425 M N 1.049 120.611 119.600 -0.064 0.000 2.094 425 M HA 0.194 4.674 4.480 -0.000 0.000 0.348 425 M C -0.722 175.397 176.300 -0.301 0.000 1.267 425 M CA -1.878 53.219 55.300 -0.338 0.000 1.125 425 M CB 1.334 33.747 32.600 -0.312 0.000 1.527 425 M HN -0.036 nan 8.290 nan 0.000 0.447 426 P HA -0.098 nan 4.420 nan 0.000 0.222 426 P C 0.945 178.142 177.300 -0.172 0.000 1.147 426 P CA 1.205 64.213 63.100 -0.154 0.000 0.790 426 P CB 0.116 31.773 31.700 -0.072 0.000 0.780 427 G N -0.537 108.081 108.800 -0.304 0.000 3.314 427 G HA2 0.347 4.307 3.960 -0.000 0.000 0.238 427 G HA3 0.347 4.307 3.960 -0.000 0.000 0.238 427 G C 0.562 175.467 174.900 0.009 0.000 1.184 427 G CA 0.015 45.041 45.100 -0.123 0.000 0.806 427 G HN 0.426 nan 8.290 nan 0.000 0.536 428 G N -0.151 108.610 108.800 -0.064 0.000 2.473 428 G HA2 0.667 4.627 3.960 -0.000 0.000 0.321 428 G HA3 0.667 4.627 3.960 -0.000 0.000 0.321 428 G C -0.876 173.939 174.900 -0.141 0.000 1.200 428 G CA -0.786 44.309 45.100 -0.007 0.000 0.963 428 G HN 0.089 nan 8.290 nan 0.000 0.483 429 R N 1.008 121.379 120.500 -0.215 0.000 2.628 429 R HA 0.510 4.850 4.340 -0.000 0.000 0.288 429 R C -1.206 175.090 176.300 -0.006 0.000 0.980 429 R CA -0.866 55.093 56.100 -0.236 0.000 0.891 429 R CB 2.284 32.211 30.300 -0.622 0.000 1.188 429 R HN 0.601 nan 8.270 nan 0.000 0.450 430 N N 1.237 119.956 118.700 0.032 0.000 2.396 430 N HA 0.290 5.030 4.740 -0.000 0.000 0.275 430 N C -1.465 173.977 175.510 -0.113 0.000 1.218 430 N CA -0.783 52.217 53.050 -0.084 0.000 0.812 430 N CB 2.614 40.971 38.487 -0.217 0.000 1.592 430 N HN 0.256 nan 8.380 nan 0.000 0.480 431 L N 2.162 123.170 121.223 -0.358 0.000 2.276 431 L HA 0.482 4.822 4.340 -0.000 0.000 0.286 431 L C -1.400 175.162 176.870 -0.514 0.000 1.061 431 L CA 0.036 54.693 54.840 -0.305 0.000 0.807 431 L CB -0.179 41.694 42.059 -0.309 0.000 1.177 431 L HN 0.407 nan 8.230 nan 0.000 0.429 432 Y N 4.259 124.223 120.300 -0.560 0.000 2.562 432 Y HA 0.680 5.230 4.550 -0.000 0.000 0.343 432 Y C -0.133 175.390 175.900 -0.629 0.000 1.025 432 Y CA -0.775 56.922 58.100 -0.671 0.000 1.082 432 Y CB 1.669 39.511 38.460 -1.030 0.000 1.264 432 Y HN 0.517 nan 8.280 nan 0.000 0.478 433 R N 2.754 123.066 120.500 -0.313 0.000 2.575 433 R HA 0.677 5.017 4.340 -0.000 0.000 0.293 433 R C -2.022 174.185 176.300 -0.154 0.000 0.983 433 R CA -0.655 55.188 56.100 -0.427 0.000 0.887 433 R CB 1.621 31.539 30.300 -0.638 0.000 1.184 433 R HN 0.885 nan 8.270 nan 0.000 0.445 434 I N 2.931 123.465 120.570 -0.059 0.000 2.465 434 I HA 0.268 4.438 4.170 -0.000 0.000 0.291 434 I C -0.650 175.534 176.117 0.111 0.000 1.014 434 I CA -0.741 60.616 61.300 0.096 0.000 1.093 434 I CB 2.118 40.225 38.000 0.179 0.000 1.267 434 I HN 0.670 nan 8.210 nan 0.000 0.431 435 Q N 4.972 124.865 119.800 0.155 0.000 2.297 435 Q HA 0.112 4.452 4.340 -0.000 0.000 0.267 435 Q C 0.446 176.473 176.000 0.045 0.000 1.006 435 Q CA -0.436 55.396 55.803 0.048 0.000 0.896 435 Q CB 1.380 30.140 28.738 0.035 0.000 1.186 435 Q HN 0.651 nan 8.270 nan 0.000 0.392 436 L N 3.315 124.503 121.223 -0.058 0.000 2.275 436 L HA -0.181 4.158 4.340 -0.000 0.000 0.215 436 L C 1.499 178.361 176.870 -0.013 0.000 1.119 436 L CA 1.526 56.397 54.840 0.052 0.000 0.790 436 L CB -0.645 41.391 42.059 -0.038 0.000 0.919 436 L HN 0.670 nan 8.230 nan 0.000 0.443 437 N N -1.958 116.673 118.700 -0.114 0.000 2.270 437 N HA 0.027 4.766 4.740 -0.000 0.000 0.198 437 N C -0.455 174.926 175.510 -0.214 0.000 1.117 437 N CA 0.139 53.091 53.050 -0.163 0.000 0.845 437 N CB 0.172 38.587 38.487 -0.121 0.000 0.980 437 N HN 0.179 nan 8.380 nan 0.000 0.486 438 D N -0.680 119.598 120.400 -0.204 0.000 2.491 438 D HA 0.054 4.694 4.640 -0.000 0.000 0.232 438 D C -0.666 175.632 176.300 -0.003 0.000 1.334 438 D CA -0.545 53.359 54.000 -0.160 0.000 0.909 438 D CB -0.412 40.345 40.800 -0.072 0.000 1.513 438 D HN -0.069 nan 8.370 nan 0.000 0.514 439 Y N 1.079 121.387 120.300 0.013 0.000 2.736 439 Y HA -0.039 4.511 4.550 -0.000 0.000 0.298 439 Y C 2.281 178.202 175.900 0.035 0.000 1.156 439 Y CA 0.812 58.927 58.100 0.026 0.000 1.384 439 Y CB -0.878 37.598 38.460 0.028 0.000 0.976 439 Y HN 0.339 nan 8.280 nan 0.000 0.556 440 T N -0.672 113.970 114.554 0.147 0.000 2.896 440 T HA -0.052 4.298 4.350 -0.000 0.000 0.263 440 T C 0.829 175.586 174.700 0.094 0.000 1.050 440 T CA 0.669 62.829 62.100 0.099 0.000 1.140 440 T CB -0.064 68.834 68.868 0.051 0.000 0.877 440 T HN 0.158 nan 8.240 nan 0.000 0.457 441 K N 2.182 122.637 120.400 0.091 0.000 2.219 441 K HA 0.412 4.732 4.320 -0.000 0.000 0.280 441 K C -1.075 175.589 176.600 0.106 0.000 1.104 441 K CA -0.185 56.153 56.287 0.084 0.000 0.925 441 K CB 1.107 33.651 32.500 0.073 0.000 1.261 441 K HN 0.032 nan 8.250 nan 0.000 0.445 442 V N 2.675 122.650 119.914 0.102 0.000 2.577 442 V HA 0.401 4.521 4.120 -0.000 0.000 0.303 442 V C -0.983 175.156 176.094 0.075 0.000 1.042 442 V CA -0.208 62.160 62.300 0.115 0.000 0.872 442 V CB 2.028 33.963 31.823 0.186 0.000 0.998 442 V HN 0.621 nan 8.190 nan 0.000 0.423 443 T N 5.827 120.384 114.554 0.004 0.000 2.855 443 T HA 0.347 4.697 4.350 -0.000 0.000 0.281 443 T C -0.553 174.033 174.700 -0.190 0.000 1.007 443 T CA -0.276 61.780 62.100 -0.073 0.000 1.009 443 T CB 1.261 70.060 68.868 -0.114 0.000 0.983 443 T HN 0.906 nan 8.240 nan 0.000 0.455 444 C N 5.283 124.396 119.300 -0.310 0.000 2.225 444 C HA 0.441 4.901 4.460 -0.000 0.000 0.328 444 C C 1.673 176.346 174.990 -0.528 0.000 1.187 444 C CA -0.679 57.912 59.018 -0.712 0.000 1.665 444 C CB -2.115 25.095 27.740 -0.882 0.000 2.253 444 C HN 0.985 nan 8.230 nan 0.000 0.497 445 L N 4.513 125.428 121.223 -0.514 0.000 2.395 445 L HA 0.030 4.369 4.340 -0.000 0.000 0.218 445 L C 2.264 178.861 176.870 -0.454 0.000 1.130 445 L CA 1.265 55.879 54.840 -0.377 0.000 0.826 445 L CB -0.275 41.612 42.059 -0.287 0.000 0.941 445 L HN 0.886 nan 8.230 nan 0.000 0.451 446 S N -3.091 112.231 115.700 -0.630 0.000 2.554 446 S HA -0.024 4.446 4.470 -0.000 0.000 0.227 446 S C 1.949 176.197 174.600 -0.586 0.000 1.050 446 S CA -0.006 57.728 58.200 -0.777 0.000 0.927 446 S CB -0.353 62.024 63.200 -1.371 0.000 0.859 446 S HN 0.311 nan 8.310 nan 0.000 0.494 447 C N 2.192 121.132 119.300 -0.600 0.000 2.353 447 C HA -0.105 4.355 4.460 -0.000 0.000 0.272 447 C C 2.304 177.099 174.990 -0.326 0.000 1.165 447 C CA 1.689 60.341 59.018 -0.609 0.000 1.786 447 C CB -1.176 26.058 27.740 -0.843 0.000 2.071 447 C HN 0.625 nan 8.230 nan 0.000 0.451 448 E N -0.168 119.893 120.200 -0.232 0.000 2.465 448 E HA 0.220 4.570 4.350 -0.000 0.000 0.195 448 E C 1.704 178.268 176.600 -0.059 0.000 1.028 448 E CA -0.121 56.217 56.400 -0.102 0.000 0.899 448 E CB -0.175 29.478 29.700 -0.078 0.000 1.032 448 E HN 0.565 nan 8.360 nan 0.000 0.468 449 L N -0.267 120.919 121.223 -0.061 0.000 2.027 449 L HA -0.064 4.276 4.340 -0.000 0.000 0.206 449 L C 0.208 177.095 176.870 0.027 0.000 1.074 449 L CA 1.063 55.900 54.840 -0.005 0.000 0.745 449 L CB -0.024 42.048 42.059 0.022 0.000 0.898 449 L HN 0.082 nan 8.230 nan 0.000 0.433 450 N N -1.755 116.977 118.700 0.053 0.000 2.700 450 N HA 0.091 4.831 4.740 -0.000 0.000 0.242 450 N C -2.010 173.526 175.510 0.044 0.000 1.541 450 N CA -0.596 52.475 53.050 0.035 0.000 0.764 450 N CB 0.974 39.474 38.487 0.020 0.000 1.319 450 N HN -0.109 nan 8.380 nan 0.000 0.518 451 P HA -0.242 nan 4.420 nan 0.000 0.218 451 P C 0.508 177.843 177.300 0.058 0.000 1.150 451 P CA 1.537 64.677 63.100 0.067 0.000 0.841 451 P CB 0.607 32.348 31.700 0.068 0.000 0.784 452 E N -0.661 119.557 120.200 0.031 0.000 2.102 452 E HA -0.044 4.306 4.350 -0.000 0.000 0.190 452 E C 2.267 178.868 176.600 0.001 0.000 0.971 452 E CA 0.582 56.992 56.400 0.018 0.000 0.821 452 E CB -0.375 29.329 29.700 0.007 0.000 0.777 452 E HN 0.317 nan 8.360 nan 0.000 0.460 453 R N -0.222 120.268 120.500 -0.017 0.000 2.173 453 R HA 0.085 4.425 4.340 -0.000 0.000 0.208 453 R C -0.084 176.168 176.300 -0.081 0.000 1.035 453 R CA 0.508 56.576 56.100 -0.053 0.000 1.004 453 R CB 0.399 30.656 30.300 -0.072 0.000 0.917 453 R HN 0.008 nan 8.270 nan 0.000 0.462 454 c N 0.894 119.457 118.600 -0.062 0.000 2.344 454 c HA 0.413 4.983 4.570 -0.000 0.000 0.326 454 c C 0.009 174.099 174.090 -0.000 0.000 1.201 454 c CA -0.697 55.540 56.329 -0.153 0.000 1.410 454 c CB 1.404 43.751 42.510 -0.271 0.000 2.070 454 c HN 0.517 nan 8.230 nan 0.000 0.445 455 Q N 0.360 120.164 119.800 0.007 0.000 2.113 455 Q HA 0.192 4.532 4.340 -0.000 0.000 0.225 455 Q C -0.892 175.217 176.000 0.182 0.000 0.786 455 Q CA 0.107 55.993 55.803 0.138 0.000 0.989 455 Q CB 1.345 30.158 28.738 0.126 0.000 1.174 455 Q HN 0.790 nan 8.270 nan 0.000 0.470 456 Y N 0.526 120.796 120.300 -0.049 0.000 2.402 456 Y HA 0.395 4.945 4.550 -0.000 0.000 0.325 456 Y C -1.605 174.295 175.900 0.001 0.000 1.009 456 Y CA -1.078 57.045 58.100 0.038 0.000 1.278 456 Y CB 0.715 39.208 38.460 0.055 0.000 1.105 456 Y HN -0.097 nan 8.280 nan 0.000 0.476 457 Y N 1.899 122.216 120.300 0.029 0.000 2.598 457 Y HA 0.718 5.268 4.550 -0.000 0.000 0.340 457 Y C 0.086 176.051 175.900 0.108 0.000 1.038 457 Y CA -0.759 57.380 58.100 0.065 0.000 1.100 457 Y CB 2.325 40.752 38.460 -0.055 0.000 1.281 457 Y HN 0.474 nan 8.280 nan 0.000 0.488 458 S N 0.546 116.478 115.700 0.386 0.000 2.627 458 S HA 0.985 5.455 4.470 -0.000 0.000 0.283 458 S C -1.296 173.461 174.600 0.261 0.000 1.127 458 S CA -0.567 57.830 58.200 0.327 0.000 0.863 458 S CB 2.032 65.504 63.200 0.454 0.000 1.121 458 S HN 1.094 nan 8.310 nan 0.000 0.479 459 A N 0.459 123.423 122.820 0.240 0.000 2.556 459 A HA 0.893 5.213 4.320 -0.000 0.000 0.294 459 A C -0.698 177.042 177.584 0.261 0.000 1.091 459 A CA -0.690 51.467 52.037 0.200 0.000 0.704 459 A CB 1.720 20.791 19.000 0.119 0.000 1.300 459 A HN 1.392 nan 8.150 nan 0.000 0.406 460 S N 0.540 116.374 115.700 0.222 0.000 2.779 460 S HA 0.682 5.152 4.470 -0.000 0.000 0.293 460 S C -1.457 173.277 174.600 0.222 0.000 1.150 460 S CA -0.356 58.047 58.200 0.337 0.000 1.057 460 S CB -0.185 63.272 63.200 0.428 0.000 1.021 460 S HN 0.440 nan 8.310 nan 0.000 0.485 461 F N 3.035 123.000 119.950 0.024 0.000 2.379 461 F HA 0.489 5.016 4.527 -0.000 0.000 0.332 461 F C 1.365 176.747 175.800 -0.696 0.000 1.096 461 F CA -0.347 57.494 58.000 -0.265 0.000 1.105 461 F CB 1.492 40.330 39.000 -0.270 0.000 1.189 461 F HN 0.618 nan 8.300 nan 0.000 0.515 462 S N 1.217 116.314 115.700 -1.005 0.000 2.661 462 S HA 0.317 4.787 4.470 -0.000 0.000 0.265 462 S C -0.197 174.233 174.600 -0.283 0.000 1.225 462 S CA -1.031 56.484 58.200 -1.141 0.000 0.986 462 S CB 0.193 62.663 63.200 -1.216 0.000 1.008 462 S HN 0.653 nan 8.310 nan 0.000 0.565 463 N N 0.973 119.633 118.700 -0.066 0.000 2.454 463 N HA 0.100 4.840 4.740 -0.000 0.000 0.254 463 N C -0.011 175.520 175.510 0.034 0.000 1.228 463 N CA -0.131 52.945 53.050 0.044 0.000 0.900 463 N CB 0.072 38.626 38.487 0.112 0.000 1.089 463 N HN 0.652 nan 8.380 nan 0.000 0.449 464 K N 0.622 121.051 120.400 0.049 0.000 3.426 464 K HA -0.305 4.014 4.320 -0.000 0.000 0.315 464 K C 0.054 176.666 176.600 0.019 0.000 1.293 464 K CA 0.545 56.861 56.287 0.048 0.000 0.955 464 K CB -1.310 31.229 32.500 0.064 0.000 1.238 464 K HN 0.881 nan 8.250 nan 0.000 0.441 465 A N -0.094 122.719 122.820 -0.011 0.000 2.745 465 A HA -0.321 3.999 4.320 -0.000 0.000 0.296 465 A C 1.063 178.642 177.584 -0.008 0.000 1.500 465 A CA 1.992 54.032 52.037 0.005 0.000 0.766 465 A CB -1.349 17.547 19.000 -0.173 0.000 1.030 465 A HN 0.512 nan 8.150 nan 0.000 0.489 466 K N -1.996 118.345 120.400 -0.099 0.000 2.186 466 K HA 0.162 4.482 4.320 -0.000 0.000 0.202 466 K C 0.085 176.338 176.600 -0.577 0.000 1.052 466 K CA 1.256 57.358 56.287 -0.308 0.000 0.965 466 K CB 0.185 32.480 32.500 -0.341 0.000 0.746 466 K HN 0.707 nan 8.250 nan 0.000 0.457 467 Y N -0.761 119.481 120.300 -0.096 0.000 2.576 467 Y HA 0.339 4.889 4.550 -0.000 0.000 0.346 467 Y C -0.728 175.001 175.900 -0.284 0.000 1.018 467 Y CA -1.599 56.420 58.100 -0.135 0.000 1.050 467 Y CB 1.652 40.086 38.460 -0.045 0.000 1.280 467 Y HN -0.038 nan 8.280 nan 0.000 0.474 468 Y N -1.181 119.017 120.300 -0.170 0.000 2.581 468 Y HA 0.521 5.071 4.550 -0.000 0.000 0.337 468 Y C -1.375 174.510 175.900 -0.026 0.000 1.108 468 Y CA -1.492 56.350 58.100 -0.431 0.000 1.033 468 Y CB 1.479 39.057 38.460 -1.470 0.000 1.318 468 Y HN 0.611 nan 8.280 nan 0.000 0.459 469 Q N 3.270 123.184 119.800 0.190 0.000 2.256 469 Q HA 0.597 4.937 4.340 -0.000 0.000 0.257 469 Q C -1.860 174.231 176.000 0.153 0.000 0.936 469 Q CA -0.768 55.118 55.803 0.139 0.000 0.903 469 Q CB 1.511 30.337 28.738 0.147 0.000 1.263 469 Q HN 0.962 nan 8.270 nan 0.000 0.440 470 L N 4.266 125.570 121.223 0.136 0.000 2.307 470 L HA 0.563 4.903 4.340 -0.000 0.000 0.284 470 L C -0.491 176.399 176.870 0.034 0.000 1.023 470 L CA -0.643 54.277 54.840 0.133 0.000 0.810 470 L CB 1.506 43.618 42.059 0.089 0.000 1.231 470 L HN 0.657 nan 8.230 nan 0.000 0.423 471 R N 2.694 123.179 120.500 -0.025 0.000 2.409 471 R HA 0.341 4.681 4.340 -0.000 0.000 0.313 471 R C -1.107 174.757 176.300 -0.726 0.000 0.953 471 R CA -0.523 55.252 56.100 -0.542 0.000 0.849 471 R CB 1.776 31.812 30.300 -0.439 0.000 1.171 471 R HN 0.557 nan 8.270 nan 0.000 0.458 472 c N 4.631 122.638 118.600 -0.988 0.000 2.273 472 c HA 0.476 5.046 4.570 -0.000 0.000 0.328 472 c C 0.411 173.975 174.090 -0.876 0.000 1.275 472 c CA -0.563 55.168 56.329 -0.996 0.000 1.704 472 c CB -0.748 41.231 42.510 -0.886 0.000 2.326 472 c HN 0.962 nan 8.230 nan 0.000 0.517 473 F N 4.443 124.271 119.950 -0.203 0.000 2.653 473 F HA 0.481 5.008 4.527 -0.000 0.000 0.304 473 F C 1.438 177.208 175.800 -0.050 0.000 1.092 473 F CA 0.664 58.616 58.000 -0.080 0.000 1.279 473 F CB 0.175 39.155 39.000 -0.034 0.000 1.044 473 F HN 1.019 nan 8.300 nan 0.000 0.564 474 G N 0.260 109.072 108.800 0.019 0.000 2.359 474 G HA2 0.072 4.031 3.960 -0.000 0.000 0.293 474 G HA3 0.072 4.031 3.960 -0.000 0.000 0.293 474 G C -2.504 172.399 174.900 0.004 0.000 1.300 474 G CA -0.685 44.440 45.100 0.042 0.000 0.888 474 G HN -0.292 nan 8.290 nan 0.000 0.541 475 P HA 0.104 nan 4.420 nan 0.000 0.230 475 P C 1.280 178.619 177.300 0.064 0.000 1.158 475 P CA 1.557 64.695 63.100 0.063 0.000 0.769 475 P CB 0.190 31.917 31.700 0.046 0.000 0.807 476 G N 0.278 109.052 108.800 -0.042 0.000 2.510 476 G HA2 0.413 4.373 3.960 -0.000 0.000 0.280 476 G HA3 0.413 4.373 3.960 -0.000 0.000 0.280 476 G C -0.290 174.395 174.900 -0.359 0.000 1.386 476 G CA -0.788 44.219 45.100 -0.155 0.000 1.047 476 G HN 0.033 nan 8.290 nan 0.000 0.527 477 L N 1.263 122.178 121.223 -0.514 0.000 2.490 477 L HA 0.136 4.476 4.340 -0.000 0.000 0.274 477 L C -1.871 174.808 176.870 -0.318 0.000 1.201 477 L CA -1.189 53.268 54.840 -0.639 0.000 0.869 477 L CB 0.482 42.267 42.059 -0.458 0.000 1.123 477 L HN 0.232 nan 8.230 nan 0.000 0.484 478 P HA -0.006 nan 4.420 nan 0.000 0.264 478 P C -0.906 176.314 177.300 -0.133 0.000 1.179 478 P CA 0.120 63.136 63.100 -0.140 0.000 0.763 478 P CB 0.511 32.275 31.700 0.105 0.000 0.806 479 L N 4.703 125.736 121.223 -0.317 0.000 2.476 479 L HA 0.468 4.808 4.340 -0.000 0.000 0.269 479 L C -1.825 174.840 176.870 -0.340 0.000 0.965 479 L CA -0.592 54.134 54.840 -0.190 0.000 0.845 479 L CB 0.936 42.892 42.059 -0.172 0.000 1.259 479 L HN 0.192 nan 8.230 nan 0.000 0.403 480 Y N 2.611 122.824 120.300 -0.146 0.000 2.341 480 Y HA 0.803 5.353 4.550 -0.000 0.000 0.337 480 Y C 0.592 176.372 175.900 -0.200 0.000 1.014 480 Y CA -0.466 57.540 58.100 -0.156 0.000 1.111 480 Y CB 2.119 40.489 38.460 -0.150 0.000 1.194 480 Y HN 0.688 nan 8.280 nan 0.000 0.462 481 T N 1.262 115.792 114.554 -0.040 0.000 2.896 481 T HA 0.602 4.952 4.350 -0.000 0.000 0.297 481 T C -1.627 172.980 174.700 -0.154 0.000 1.108 481 T CA -0.932 61.092 62.100 -0.127 0.000 1.004 481 T CB 1.854 70.700 68.868 -0.037 0.000 1.159 481 T HN 0.518 nan 8.240 nan 0.000 0.499 482 L N 2.029 123.051 121.223 -0.335 0.000 2.322 482 L HA 0.640 4.980 4.340 -0.000 0.000 0.281 482 L C -1.362 175.205 176.870 -0.505 0.000 1.014 482 L CA -0.419 54.258 54.840 -0.271 0.000 0.815 482 L CB 1.124 43.057 42.059 -0.209 0.000 1.247 482 L HN 0.942 nan 8.230 nan 0.000 0.421 483 H N 1.266 120.066 119.070 -0.450 0.000 2.797 483 H HA 0.444 5.000 4.556 -0.000 0.000 0.372 483 H C -0.633 174.479 175.328 -0.361 0.000 1.168 483 H CA -0.444 55.271 56.048 -0.555 0.000 1.163 483 H CB 1.987 31.100 29.762 -1.081 0.000 1.778 483 H HN 0.520 nan 8.280 nan 0.000 0.551 484 S N -0.050 115.634 115.700 -0.027 0.000 2.525 484 S HA 0.239 4.709 4.470 -0.000 0.000 0.290 484 S C 0.586 175.200 174.600 0.023 0.000 1.152 484 S CA -0.562 57.648 58.200 0.017 0.000 1.072 484 S CB 0.895 64.133 63.200 0.064 0.000 1.027 484 S HN 0.630 nan 8.310 nan 0.000 0.500 485 S N 2.700 118.391 115.700 -0.016 0.000 2.461 485 S HA -0.055 4.415 4.470 -0.000 0.000 0.228 485 S C 2.066 176.686 174.600 0.033 0.000 1.005 485 S CA 1.009 59.281 58.200 0.120 0.000 0.942 485 S CB -0.202 63.056 63.200 0.096 0.000 0.776 485 S HN 0.878 nan 8.310 nan 0.000 0.514 486 S N 2.109 117.790 115.700 -0.031 0.000 2.362 486 S HA -0.045 4.425 4.470 -0.000 0.000 0.221 486 S C 1.822 176.423 174.600 0.001 0.000 1.032 486 S CA 1.139 59.330 58.200 -0.015 0.000 0.973 486 S CB -0.522 62.661 63.200 -0.029 0.000 0.849 486 S HN 0.526 nan 8.310 nan 0.000 0.465 487 S N 0.146 115.851 115.700 0.009 0.000 2.540 487 S HA 0.228 4.698 4.470 -0.000 0.000 0.218 487 S C 0.102 174.718 174.600 0.027 0.000 0.977 487 S CA 0.336 58.547 58.200 0.017 0.000 0.918 487 S CB -0.275 62.938 63.200 0.022 0.000 0.806 487 S HN 0.300 nan 8.310 nan 0.000 0.496 488 D N 1.079 121.509 120.400 0.049 0.000 3.059 488 D HA -0.190 4.450 4.640 -0.000 0.000 0.222 488 D C 0.101 176.453 176.300 0.087 0.000 1.185 488 D CA 1.413 55.462 54.000 0.082 0.000 0.904 488 D CB -1.110 39.710 40.800 0.034 0.000 1.122 488 D HN 0.705 nan 8.370 nan 0.000 0.410 489 K N 1.121 121.552 120.400 0.052 0.000 2.237 489 K HA 0.114 4.434 4.320 -0.000 0.000 0.270 489 K C 0.194 176.782 176.600 -0.021 0.000 1.015 489 K CA -0.281 56.021 56.287 0.025 0.000 0.949 489 K CB 0.666 33.170 32.500 0.007 0.000 0.976 489 K HN 0.026 nan 8.250 nan 0.000 0.472 490 E N 5.802 125.944 120.200 -0.097 0.000 1.963 490 E HA 0.010 4.359 4.350 -0.000 0.000 0.274 490 E C 0.880 177.309 176.600 -0.285 0.000 1.061 490 E CA -0.534 55.634 56.400 -0.388 0.000 0.847 490 E CB 0.328 29.830 29.700 -0.330 0.000 1.083 490 E HN 0.594 nan 8.360 nan 0.000 0.402 491 L N 3.977 125.037 121.223 -0.271 0.000 2.013 491 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 491 L C 1.391 178.161 176.870 -0.166 0.000 1.073 491 L CA 1.932 56.678 54.840 -0.156 0.000 0.753 491 L CB -1.678 40.314 42.059 -0.112 0.000 0.890 491 L HN 0.737 nan 8.230 nan 0.000 0.432 492 R N -2.747 117.610 120.500 -0.239 0.000 2.780 492 R HA 0.395 4.735 4.340 -0.000 0.000 0.280 492 R C -1.704 174.450 176.300 -0.243 0.000 1.016 492 R CA -0.785 55.194 56.100 -0.202 0.000 0.854 492 R CB 1.387 31.595 30.300 -0.154 0.000 1.293 492 R HN -0.269 nan 8.270 nan 0.000 0.483 493 V N 2.919 122.714 119.914 -0.197 0.000 2.364 493 V HA 0.222 4.342 4.120 -0.000 0.000 0.272 493 V C 1.283 177.221 176.094 -0.260 0.000 1.036 493 V CA -0.488 61.696 62.300 -0.194 0.000 0.880 493 V CB 1.108 32.856 31.823 -0.125 0.000 0.991 493 V HN 0.628 nan 8.190 nan 0.000 0.460 494 L N 2.773 123.765 121.223 -0.385 0.000 2.162 494 L HA 0.243 4.583 4.340 -0.000 0.000 0.205 494 L C 0.759 177.379 176.870 -0.417 0.000 1.086 494 L CA 0.816 55.231 54.840 -0.709 0.000 0.778 494 L CB 0.164 41.400 42.059 -1.373 0.000 0.928 494 L HN 0.677 nan 8.230 nan 0.000 0.446 495 E N -0.106 119.985 120.200 -0.183 0.000 2.406 495 E HA 0.070 4.420 4.350 -0.000 0.000 0.297 495 E C -1.178 175.444 176.600 0.038 0.000 0.917 495 E CA -0.318 56.063 56.400 -0.033 0.000 0.795 495 E CB 0.989 30.682 29.700 -0.011 0.000 1.285 495 E HN 0.148 nan 8.360 nan 0.000 0.400 496 D N 3.392 123.794 120.400 0.004 0.000 2.469 496 D HA 0.126 4.766 4.640 -0.000 0.000 0.215 496 D C -0.278 176.016 176.300 -0.009 0.000 1.154 496 D CA -0.244 53.752 54.000 -0.006 0.000 0.832 496 D CB -0.063 40.718 40.800 -0.033 0.000 1.008 496 D HN 0.468 nan 8.370 nan 0.000 0.506 497 N N 0.734 119.439 118.700 0.009 0.000 2.708 497 N HA -0.218 4.522 4.740 -0.000 0.000 0.249 497 N C 1.034 176.540 175.510 -0.006 0.000 1.097 497 N CA 0.931 53.984 53.050 0.006 0.000 0.710 497 N CB -1.365 37.123 38.487 0.002 0.000 1.032 497 N HN 0.496 nan 8.380 nan 0.000 0.551 498 S N -1.265 114.430 115.700 -0.007 0.000 2.419 498 S HA -0.054 4.416 4.470 -0.000 0.000 0.233 498 S C 2.058 176.666 174.600 0.012 0.000 1.016 498 S CA 0.974 59.170 58.200 -0.005 0.000 0.974 498 S CB -0.055 63.141 63.200 -0.007 0.000 0.786 498 S HN 0.503 nan 8.310 nan 0.000 0.492 499 A N 1.968 124.801 122.820 0.021 0.000 1.873 499 A HA 0.109 4.429 4.320 -0.000 0.000 0.215 499 A C 2.213 179.839 177.584 0.070 0.000 1.186 499 A CA 1.491 53.551 52.037 0.038 0.000 0.616 499 A CB -0.896 18.122 19.000 0.030 0.000 0.823 499 A HN 0.534 nan 8.150 nan 0.000 0.442 500 L N 0.467 121.737 121.223 0.079 0.000 2.046 500 L HA -0.161 4.178 4.340 -0.000 0.000 0.208 500 L C 1.871 178.803 176.870 0.102 0.000 1.077 500 L CA 2.802 57.721 54.840 0.132 0.000 0.747 500 L CB -0.863 41.268 42.059 0.120 0.000 0.896 500 L HN 0.505 nan 8.230 nan 0.000 0.432 501 D N -0.714 119.707 120.400 0.035 0.000 2.116 501 D HA -0.289 4.351 4.640 -0.000 0.000 0.193 501 D C 2.186 178.511 176.300 0.043 0.000 0.998 501 D CA 1.565 55.571 54.000 0.010 0.000 0.836 501 D CB -0.001 40.788 40.800 -0.018 0.000 0.951 501 D HN 0.227 nan 8.370 nan 0.000 0.449 502 K N -0.090 120.343 120.400 0.055 0.000 2.009 502 K HA -0.131 4.189 4.320 -0.000 0.000 0.210 502 K C 2.132 178.796 176.600 0.107 0.000 1.049 502 K CA 1.553 57.879 56.287 0.066 0.000 0.929 502 K CB -0.349 32.186 32.500 0.058 0.000 0.714 502 K HN 0.228 nan 8.250 nan 0.000 0.440 503 M N 0.021 119.719 119.600 0.163 0.000 2.108 503 M HA -0.161 4.319 4.480 -0.000 0.000 0.261 503 M C 2.041 178.517 176.300 0.294 0.000 1.066 503 M CA 1.562 57.031 55.300 0.282 0.000 1.107 503 M CB -0.351 32.508 32.600 0.432 0.000 1.356 503 M HN 0.119 nan 8.290 nan 0.000 0.406 504 L N 0.169 121.493 121.223 0.167 0.000 2.291 504 L HA -0.176 4.164 4.340 -0.000 0.000 0.214 504 L C 2.611 179.502 176.870 0.034 0.000 1.120 504 L CA 0.826 55.683 54.840 0.028 0.000 0.799 504 L CB -0.694 41.354 42.059 -0.019 0.000 0.925 504 L HN 0.474 nan 8.230 nan 0.000 0.446 505 Q N -0.785 119.048 119.800 0.055 0.000 2.488 505 Q HA -0.186 4.153 4.340 -0.000 0.000 0.211 505 Q C 1.237 177.274 176.000 0.062 0.000 0.967 505 Q CA 1.113 56.942 55.803 0.044 0.000 0.926 505 Q CB -0.184 28.576 28.738 0.037 0.000 0.992 505 Q HN 0.410 nan 8.270 nan 0.000 0.506 506 D N 0.702 121.157 120.400 0.091 0.000 2.339 506 D HA 0.054 4.694 4.640 -0.000 0.000 0.217 506 D C -0.471 175.899 176.300 0.117 0.000 1.050 506 D CA 0.004 54.067 54.000 0.106 0.000 0.856 506 D CB 1.000 41.880 40.800 0.132 0.000 0.922 506 D HN 0.130 nan 8.370 nan 0.000 0.518 507 V N 0.813 120.785 119.914 0.096 0.000 2.823 507 V HA 0.290 4.410 4.120 -0.000 0.000 0.312 507 V C -1.006 175.127 176.094 0.065 0.000 1.072 507 V CA -0.710 61.645 62.300 0.092 0.000 0.937 507 V CB 2.122 33.992 31.823 0.078 0.000 1.013 507 V HN -0.116 nan 8.190 nan 0.000 0.430 508 Q N 5.858 125.714 119.800 0.093 0.000 2.513 508 Q HA 0.304 4.644 4.340 -0.000 0.000 0.227 508 Q C -0.370 175.662 176.000 0.053 0.000 1.257 508 Q CA -0.076 55.785 55.803 0.097 0.000 0.915 508 Q CB 0.502 29.336 28.738 0.160 0.000 1.507 508 Q HN 0.572 nan 8.270 nan 0.000 0.543 509 M N 3.814 123.413 119.600 -0.002 0.000 2.250 509 M HA 0.342 4.822 4.480 -0.000 0.000 0.344 509 M C -1.931 174.331 176.300 -0.064 0.000 1.150 509 M CA -2.195 53.072 55.300 -0.054 0.000 1.147 509 M CB 0.172 32.727 32.600 -0.076 0.000 1.498 509 M HN 0.336 nan 8.290 nan 0.000 0.461 510 P HA 0.295 nan 4.420 nan 0.000 0.279 510 P C -1.016 176.209 177.300 -0.126 0.000 1.276 510 P CA -0.420 62.610 63.100 -0.118 0.000 0.801 510 P CB 0.754 32.366 31.700 -0.148 0.000 1.127 511 S N -0.997 114.612 115.700 -0.150 0.000 2.568 511 S HA 0.546 5.015 4.470 -0.000 0.000 0.302 511 S C -0.541 173.966 174.600 -0.155 0.000 1.082 511 S CA -0.835 57.285 58.200 -0.133 0.000 1.009 511 S CB 1.784 64.907 63.200 -0.129 0.000 1.069 511 S HN 0.468 nan 8.310 nan 0.000 0.500 512 K N 1.375 121.710 120.400 -0.108 0.000 2.307 512 K HA 0.382 4.702 4.320 -0.000 0.000 0.263 512 K C -1.028 175.527 176.600 -0.076 0.000 0.973 512 K CA -0.505 55.724 56.287 -0.097 0.000 0.846 512 K CB 0.951 33.412 32.500 -0.064 0.000 1.100 512 K HN 0.729 nan 8.250 nan 0.000 0.438 513 K N 5.328 125.673 120.400 -0.091 0.000 2.292 513 K HA 0.338 4.658 4.320 -0.000 0.000 0.257 513 K C -1.447 175.120 176.600 -0.056 0.000 0.940 513 K CA -0.763 55.483 56.287 -0.068 0.000 0.811 513 K CB 0.988 33.430 32.500 -0.097 0.000 1.120 513 K HN 0.423 nan 8.250 nan 0.000 0.428 514 L N 3.209 124.420 121.223 -0.020 0.000 2.329 514 L HA 0.491 4.831 4.340 -0.000 0.000 0.279 514 L C -0.295 176.546 176.870 -0.047 0.000 1.014 514 L CA -0.045 54.798 54.840 0.005 0.000 0.814 514 L CB 1.709 43.864 42.059 0.160 0.000 1.257 514 L HN 0.795 nan 8.230 nan 0.000 0.424 515 D N 0.634 120.845 120.400 -0.315 0.000 2.838 515 D HA 0.639 5.279 4.640 -0.000 0.000 0.334 515 D C -1.620 174.337 176.300 -0.571 0.000 1.315 515 D CA -0.144 53.609 54.000 -0.411 0.000 0.917 515 D CB 2.145 42.743 40.800 -0.336 0.000 1.435 515 D HN 0.123 nan 8.370 nan 0.000 0.517 516 V N 0.777 120.469 119.914 -0.370 0.000 3.102 516 V HA 0.721 4.841 4.120 -0.000 0.000 0.312 516 V C -0.229 175.970 176.094 0.174 0.000 1.135 516 V CA -0.738 61.418 62.300 -0.239 0.000 1.022 516 V CB 2.051 33.496 31.823 -0.630 0.000 1.056 516 V HN 0.580 nan 8.190 nan 0.000 0.436 517 I N -0.431 120.280 120.570 0.235 0.000 3.102 517 I HA 0.703 4.873 4.170 -0.000 0.000 0.310 517 I C -1.315 174.894 176.117 0.153 0.000 1.246 517 I CA -0.821 60.588 61.300 0.182 0.000 0.979 517 I CB 2.712 40.784 38.000 0.120 0.000 1.267 517 I HN 0.444 nan 8.210 nan 0.000 0.451 518 N N 3.195 121.935 118.700 0.068 0.000 2.430 518 N HA 0.780 5.520 4.740 -0.000 0.000 0.292 518 N C -1.518 174.019 175.510 0.044 0.000 1.051 518 N CA -0.320 52.767 53.050 0.062 0.000 0.917 518 N CB 1.844 40.331 38.487 0.001 0.000 1.164 518 N HN 0.526 nan 8.380 nan 0.000 0.484 519 L N 2.321 123.617 121.223 0.122 0.000 2.476 519 L HA 0.315 4.655 4.340 -0.000 0.000 0.269 519 L C -0.570 176.207 176.870 -0.154 0.000 0.965 519 L CA -0.754 53.987 54.840 -0.164 0.000 0.845 519 L CB 1.466 43.441 42.059 -0.139 0.000 1.259 519 L HN 0.824 nan 8.230 nan 0.000 0.403 520 H N 1.079 120.218 119.070 0.116 0.000 2.820 520 H HA -0.192 4.364 4.556 -0.000 0.000 0.295 520 H C 1.229 176.591 175.328 0.057 0.000 1.187 520 H CA 0.852 56.943 56.048 0.071 0.000 1.144 520 H CB -1.591 28.212 29.762 0.067 0.000 1.354 520 H HN 1.103 nan 8.280 nan 0.000 0.395 521 G N -1.261 107.586 108.800 0.079 0.000 2.168 521 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.263 521 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.263 521 G C 0.293 175.200 174.900 0.011 0.000 0.977 521 G CA 0.628 45.751 45.100 0.039 0.000 0.659 521 G HN 0.736 nan 8.290 nan 0.000 0.533 522 T N 0.959 115.524 114.554 0.018 0.000 2.823 522 T HA 0.558 4.908 4.350 -0.000 0.000 0.279 522 T C 0.175 174.671 174.700 -0.339 0.000 0.998 522 T CA -0.362 61.627 62.100 -0.186 0.000 0.994 522 T CB 1.615 70.314 68.868 -0.281 0.000 0.960 522 T HN 0.589 nan 8.240 nan 0.000 0.448 523 K N 2.480 122.657 120.400 -0.371 0.000 2.258 523 K HA 0.584 4.904 4.320 -0.000 0.000 0.284 523 K C -1.298 175.040 176.600 -0.436 0.000 1.051 523 K CA -0.459 55.664 56.287 -0.274 0.000 0.923 523 K CB 0.557 32.947 32.500 -0.184 0.000 1.046 523 K HN 0.365 nan 8.250 nan 0.000 0.474 524 F N 1.384 121.395 119.950 0.103 0.000 2.561 524 F HA 0.432 4.959 4.527 -0.000 0.000 0.321 524 F C -0.469 175.420 175.800 0.149 0.000 1.065 524 F CA -0.901 57.188 58.000 0.149 0.000 0.934 524 F CB 1.167 40.239 39.000 0.119 0.000 1.215 524 F HN 0.503 nan 8.300 nan 0.000 0.471 525 W N 1.708 123.189 121.300 0.301 0.000 2.359 525 W HA 0.540 5.200 4.660 -0.000 0.000 0.344 525 W C -0.784 175.984 176.519 0.415 0.000 1.170 525 W CA -0.423 57.086 57.345 0.274 0.000 1.296 525 W CB 0.738 30.287 29.460 0.148 0.000 1.197 525 W HN 0.417 nan 8.180 nan 0.000 0.618 526 Y N -0.592 120.065 120.300 0.595 0.000 2.638 526 Y HA 0.593 5.143 4.550 -0.000 0.000 0.335 526 Y C -1.135 174.992 175.900 0.378 0.000 1.155 526 Y CA -1.831 56.608 58.100 0.565 0.000 1.046 526 Y CB 0.941 39.909 38.460 0.845 0.000 1.303 526 Y HN 0.587 nan 8.280 nan 0.000 0.460 527 Q N 2.472 122.523 119.800 0.419 0.000 2.456 527 Q HA 0.818 5.158 4.340 -0.000 0.000 0.283 527 Q C -1.780 174.329 176.000 0.181 0.000 1.084 527 Q CA -1.264 54.647 55.803 0.180 0.000 0.801 527 Q CB 3.499 32.312 28.738 0.124 0.000 1.434 527 Q HN 0.842 nan 8.270 nan 0.000 0.419 528 M N 2.080 121.706 119.600 0.043 0.000 2.271 528 M HA 0.419 4.898 4.480 -0.000 0.000 0.285 528 M C -1.377 174.839 176.300 -0.140 0.000 1.059 528 M CA -0.831 54.433 55.300 -0.060 0.000 0.940 528 M CB 2.300 34.837 32.600 -0.106 0.000 1.636 528 M HN 0.596 nan 8.290 nan 0.000 0.460 529 I N 5.043 125.523 120.570 -0.150 0.000 2.301 529 I HA 0.362 4.532 4.170 -0.000 0.000 0.292 529 I C -0.361 175.585 176.117 -0.284 0.000 1.046 529 I CA -0.257 60.931 61.300 -0.186 0.000 1.282 529 I CB 0.256 38.167 38.000 -0.149 0.000 1.409 529 I HN 0.647 nan 8.210 nan 0.000 0.484 530 L N 8.333 129.331 121.223 -0.375 0.000 2.307 530 L HA 0.439 4.779 4.340 -0.000 0.000 0.282 530 L C -2.174 174.474 176.870 -0.369 0.000 1.051 530 L CA -1.796 52.702 54.840 -0.569 0.000 0.804 530 L CB 1.121 42.625 42.059 -0.925 0.000 1.197 530 L HN 0.259 nan 8.230 nan 0.000 0.431 531 P HA 0.098 nan 4.420 nan 0.000 0.269 531 P C -2.474 174.812 177.300 -0.023 0.000 1.215 531 P CA -0.874 62.153 63.100 -0.121 0.000 0.780 531 P CB -0.058 31.612 31.700 -0.050 0.000 0.898 532 P HA -0.000 nan 4.420 nan 0.000 0.267 532 P C -0.646 176.796 177.300 0.236 0.000 1.200 532 P CA 0.526 63.686 63.100 0.100 0.000 0.772 532 P CB -0.231 31.590 31.700 0.200 0.000 0.855 533 H N -1.389 117.717 119.070 0.061 0.000 2.692 533 H HA -0.213 4.343 4.556 -0.000 0.000 0.316 533 H C -0.190 175.205 175.328 0.111 0.000 1.176 533 H CA -0.005 56.085 56.048 0.070 0.000 1.142 533 H CB -2.515 27.282 29.762 0.057 0.000 1.475 533 H HN 0.287 nan 8.280 nan 0.000 0.423 534 F N 2.090 122.027 119.950 -0.022 0.000 2.571 534 F HA 0.140 4.667 4.527 -0.000 0.000 0.390 534 F C 0.580 176.384 175.800 0.007 0.000 1.043 534 F CA -0.592 57.349 58.000 -0.098 0.000 1.164 534 F CB 0.349 39.188 39.000 -0.269 0.000 1.049 534 F HN 0.335 nan 8.300 nan 0.000 0.552 535 D N 6.486 126.665 120.400 -0.368 0.000 2.473 535 D HA 0.115 4.755 4.640 -0.000 0.000 0.226 535 D C 0.772 176.735 176.300 -0.560 0.000 1.089 535 D CA -0.598 53.208 54.000 -0.324 0.000 0.883 535 D CB 0.680 41.440 40.800 -0.067 0.000 1.029 535 D HN 0.457 nan 8.370 nan 0.000 0.517 536 K N 2.062 122.037 120.400 -0.709 0.000 2.589 536 K HA -0.142 4.178 4.320 -0.000 0.000 0.195 536 K C 0.981 177.545 176.600 -0.059 0.000 1.042 536 K CA 0.507 56.540 56.287 -0.424 0.000 0.940 536 K CB -0.460 31.959 32.500 -0.136 0.000 0.776 536 K HN 0.268 nan 8.250 nan 0.000 0.487 537 S N 0.395 116.042 115.700 -0.087 0.000 2.324 537 S HA -0.035 4.434 4.470 -0.000 0.000 0.210 537 S C 0.855 175.437 174.600 -0.031 0.000 1.027 537 S CA -0.012 58.168 58.200 -0.033 0.000 0.945 537 S CB -0.091 63.078 63.200 -0.053 0.000 0.908 537 S HN 0.484 nan 8.310 nan 0.000 0.496 538 K N 1.369 121.707 120.400 -0.103 0.000 2.402 538 K HA -0.021 4.299 4.320 -0.000 0.000 0.265 538 K C -0.864 175.627 176.600 -0.182 0.000 0.978 538 K CA 0.521 56.674 56.287 -0.224 0.000 0.913 538 K CB 0.210 32.437 32.500 -0.455 0.000 0.954 538 K HN 0.224 nan 8.250 nan 0.000 0.511 539 K N 2.911 123.172 120.400 -0.232 0.000 2.367 539 K HA 0.184 4.504 4.320 -0.000 0.000 0.263 539 K C -1.379 175.126 176.600 -0.158 0.000 1.000 539 K CA -0.503 55.738 56.287 -0.077 0.000 0.891 539 K CB 0.832 33.300 32.500 -0.054 0.000 1.117 539 K HN 0.345 nan 8.250 nan 0.000 0.443 540 Y N 3.130 123.472 120.300 0.070 0.000 2.352 540 Y HA 0.247 4.797 4.550 -0.000 0.000 0.326 540 Y C -1.843 174.008 175.900 -0.082 0.000 1.166 540 Y CA -2.630 55.480 58.100 0.016 0.000 1.182 540 Y CB 0.338 38.865 38.460 0.111 0.000 1.216 540 Y HN 0.471 nan 8.280 nan 0.000 0.474 541 P HA 0.083 nan 4.420 nan 0.000 0.272 541 P C -0.896 176.266 177.300 -0.229 0.000 1.230 541 P CA -0.121 62.719 63.100 -0.435 0.000 0.788 541 P CB 1.456 32.462 31.700 -1.155 0.000 0.949 542 L N 2.442 123.571 121.223 -0.156 0.000 2.341 542 L HA 0.454 4.794 4.340 -0.000 0.000 0.278 542 L C -0.884 176.128 176.870 0.237 0.000 1.005 542 L CA -1.164 53.707 54.840 0.052 0.000 0.818 542 L CB 1.813 43.917 42.059 0.076 0.000 1.259 542 L HN 0.237 nan 8.230 nan 0.000 0.418 543 L N 6.105 127.477 121.223 0.247 0.000 2.319 543 L HA 0.495 4.834 4.340 -0.000 0.000 0.281 543 L C -0.797 176.277 176.870 0.341 0.000 1.005 543 L CA -0.247 54.812 54.840 0.365 0.000 0.828 543 L CB 1.379 43.624 42.059 0.310 0.000 1.227 543 L HN 0.319 nan 8.230 nan 0.000 0.415 544 I N 4.269 125.092 120.570 0.422 0.000 2.312 544 I HA 0.294 4.464 4.170 -0.000 0.000 0.291 544 I C 0.278 176.617 176.117 0.370 0.000 1.031 544 I CA -0.073 61.459 61.300 0.385 0.000 1.293 544 I CB 0.972 39.243 38.000 0.452 0.000 1.403 544 I HN 0.715 nan 8.210 nan 0.000 0.484 545 E N 6.153 126.540 120.200 0.312 0.000 2.109 545 E HA 0.483 4.833 4.350 -0.000 0.000 0.278 545 E C -1.421 175.238 176.600 0.099 0.000 0.954 545 E CA -0.353 56.151 56.400 0.174 0.000 0.779 545 E CB 1.777 31.672 29.700 0.325 0.000 1.093 545 E HN 0.433 nan 8.360 nan 0.000 0.401 546 V N 5.227 125.131 119.914 -0.017 0.000 3.001 546 V HA 0.417 4.537 4.120 -0.000 0.000 0.314 546 V C -1.287 174.903 176.094 0.160 0.000 1.099 546 V CA -0.319 62.045 62.300 0.107 0.000 0.989 546 V CB 1.731 33.630 31.823 0.127 0.000 1.040 546 V HN 0.900 nan 8.190 nan 0.000 0.434 547 Y N 3.839 124.199 120.300 0.100 0.000 3.274 547 Y HA 0.595 5.144 4.550 -0.000 0.000 0.174 547 Y C 1.340 177.372 175.900 0.220 0.000 0.880 547 Y CA 1.376 59.564 58.100 0.147 0.000 1.793 547 Y CB -0.050 38.478 38.460 0.114 0.000 1.409 547 Y HN 1.294 nan 8.280 nan 0.000 0.368 548 A N 0.858 123.738 122.820 0.100 0.000 2.887 548 A HA -0.097 4.223 4.320 -0.000 0.000 0.257 548 A C 0.785 178.161 177.584 -0.347 0.000 1.372 548 A CA 1.015 53.047 52.037 -0.009 0.000 0.879 548 A CB -2.364 16.713 19.000 0.128 0.000 1.082 548 A HN 1.057 nan 8.150 nan 0.000 0.703 549 G N -0.409 107.850 108.800 -0.902 0.000 2.504 549 G HA2 0.580 4.539 3.960 -0.000 0.000 0.288 549 G HA3 0.580 4.539 3.960 -0.000 0.000 0.288 549 G C -1.908 172.558 174.900 -0.724 0.000 1.182 549 G CA -1.011 43.142 45.100 -1.580 0.000 0.894 549 G HN 0.376 nan 8.290 nan 0.000 0.521 550 P HA -0.099 nan 4.420 nan 0.000 0.259 550 P C 0.734 177.816 177.300 -0.362 0.000 1.163 550 P CA 0.457 63.201 63.100 -0.592 0.000 0.760 550 P CB 0.472 31.364 31.700 -1.347 0.000 0.762 551 C N 2.534 121.720 119.300 -0.191 0.000 4.432 551 C HA -0.144 4.316 4.460 -0.000 0.000 0.294 551 C C 0.933 175.894 174.990 -0.048 0.000 1.398 551 C CA 1.069 59.952 59.018 -0.224 0.000 1.988 551 C CB -2.679 24.773 27.740 -0.480 0.000 1.251 551 C HN 0.813 nan 8.230 nan 0.000 0.791 552 S N -0.091 115.665 115.700 0.094 0.000 2.672 552 S HA 0.631 5.101 4.470 -0.000 0.000 0.276 552 S C -0.619 174.168 174.600 0.311 0.000 1.207 552 S CA -0.081 58.313 58.200 0.324 0.000 1.002 552 S CB 1.762 65.217 63.200 0.426 0.000 0.998 552 S HN 0.809 nan 8.310 nan 0.000 0.542 553 Q N 0.221 120.237 119.800 0.360 0.000 2.589 553 Q HA 0.327 4.667 4.340 -0.000 0.000 0.245 553 Q C -0.403 175.724 176.000 0.212 0.000 0.931 553 Q CA -0.595 55.389 55.803 0.301 0.000 0.730 553 Q CB 0.790 29.747 28.738 0.365 0.000 1.315 553 Q HN 0.620 nan 8.270 nan 0.000 0.469 554 K N 1.373 121.894 120.400 0.202 0.000 2.400 554 K HA 0.167 4.487 4.320 -0.000 0.000 0.194 554 K C -0.087 176.597 176.600 0.140 0.000 1.033 554 K CA 0.347 56.732 56.287 0.163 0.000 1.021 554 K CB 0.820 33.443 32.500 0.205 0.000 0.808 554 K HN 0.368 nan 8.250 nan 0.000 0.505 555 V N 3.687 123.693 119.914 0.154 0.000 2.311 555 V HA 0.145 4.265 4.120 -0.000 0.000 0.275 555 V C -0.453 175.686 176.094 0.074 0.000 1.022 555 V CA -0.744 61.641 62.300 0.143 0.000 0.830 555 V CB 1.031 32.991 31.823 0.228 0.000 1.012 555 V HN 0.286 nan 8.190 nan 0.000 0.452 556 D N 2.372 122.792 120.400 0.033 0.000 2.812 556 D HA 0.359 4.999 4.640 -0.000 0.000 0.318 556 D C 0.348 176.638 176.300 -0.017 0.000 1.234 556 D CA -0.025 53.980 54.000 0.008 0.000 0.989 556 D CB 1.510 42.305 40.800 -0.009 0.000 1.442 556 D HN 0.338 nan 8.370 nan 0.000 0.537 557 T N -2.048 112.509 114.554 0.005 0.000 3.269 557 T HA 0.411 4.760 4.350 -0.000 0.000 0.269 557 T C 0.044 174.711 174.700 -0.054 0.000 0.993 557 T CA -0.461 61.647 62.100 0.012 0.000 0.909 557 T CB -0.776 68.143 68.868 0.086 0.000 1.115 557 T HN 0.273 nan 8.240 nan 0.000 0.543 558 V N 2.419 122.199 119.914 -0.222 0.000 2.649 558 V HA 0.398 4.518 4.120 -0.000 0.000 0.292 558 V C 0.063 176.140 176.094 -0.028 0.000 1.055 558 V CA -1.029 61.136 62.300 -0.226 0.000 1.023 558 V CB 0.466 32.023 31.823 -0.443 0.000 0.992 558 V HN 0.625 nan 8.190 nan 0.000 0.480 559 F N 6.180 126.093 119.950 -0.063 0.000 2.438 559 F HA 0.568 5.095 4.527 -0.000 0.000 0.356 559 F C 0.457 176.246 175.800 -0.018 0.000 1.099 559 F CA -0.200 57.778 58.000 -0.037 0.000 1.185 559 F CB 0.264 39.257 39.000 -0.011 0.000 1.115 559 F HN 0.411 nan 8.300 nan 0.000 0.526 560 R N 6.430 126.476 120.500 -0.756 0.000 2.533 560 R HA 0.372 4.712 4.340 -0.000 0.000 0.288 560 R C -1.876 174.028 176.300 -0.660 0.000 1.039 560 R CA -1.187 54.587 56.100 -0.543 0.000 0.909 560 R CB 1.769 31.922 30.300 -0.245 0.000 1.195 560 R HN 0.471 nan 8.270 nan 0.000 0.438 561 L N 3.224 124.184 121.223 -0.437 0.000 2.302 561 L HA 0.255 4.595 4.340 -0.000 0.000 0.285 561 L C 0.295 177.138 176.870 -0.046 0.000 1.090 561 L CA 0.303 54.967 54.840 -0.293 0.000 0.866 561 L CB 0.381 42.443 42.059 0.004 0.000 1.244 561 L HN 0.741 nan 8.230 nan 0.000 0.435 562 S N 1.622 117.204 115.700 -0.197 0.000 2.798 562 S HA 0.306 4.776 4.470 -0.000 0.000 0.312 562 S C 0.585 174.847 174.600 -0.565 0.000 1.122 562 S CA -0.681 57.355 58.200 -0.273 0.000 0.949 562 S CB 0.595 63.727 63.200 -0.113 0.000 1.235 562 S HN 0.525 nan 8.310 nan 0.000 0.552 563 W N 1.111 121.842 121.300 -0.948 0.000 2.402 563 W HA 0.140 4.800 4.660 -0.000 0.000 0.286 563 W C 2.298 178.716 176.519 -0.168 0.000 1.221 563 W CA 1.614 58.533 57.345 -0.710 0.000 1.257 563 W CB -0.973 28.182 29.460 -0.508 0.000 1.120 563 W HN 0.817 nan 8.180 nan 0.000 0.551 564 A N -0.382 122.347 122.820 -0.152 0.000 1.972 564 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 564 A C 1.936 179.382 177.584 -0.229 0.000 1.169 564 A CA 2.288 54.188 52.037 -0.229 0.000 0.635 564 A CB -1.243 17.720 19.000 -0.061 0.000 0.810 564 A HN 0.274 nan 8.150 nan 0.000 0.446 565 T N -1.163 113.273 114.554 -0.197 0.000 2.720 565 T HA -0.210 4.140 4.350 -0.000 0.000 0.268 565 T C 1.801 176.487 174.700 -0.023 0.000 1.037 565 T CA 1.813 63.781 62.100 -0.221 0.000 1.144 565 T CB -0.445 68.128 68.868 -0.491 0.000 0.864 565 T HN 0.712 nan 8.240 nan 0.000 0.444 566 Y N 1.855 122.171 120.300 0.027 0.000 2.220 566 Y HA 0.084 4.634 4.550 -0.000 0.000 0.291 566 Y C 1.897 177.756 175.900 -0.067 0.000 1.129 566 Y CA 0.751 58.916 58.100 0.110 0.000 1.161 566 Y CB -0.698 37.834 38.460 0.120 0.000 0.997 566 Y HN 0.116 nan 8.280 nan 0.000 0.522 567 L N 0.206 120.956 121.223 -0.789 0.000 2.083 567 L HA -0.175 4.164 4.340 -0.000 0.000 0.209 567 L C 2.753 179.361 176.870 -0.437 0.000 1.083 567 L CA 1.241 55.580 54.840 -0.835 0.000 0.752 567 L CB -0.901 40.702 42.059 -0.761 0.000 0.899 567 L HN 0.408 nan 8.230 nan 0.000 0.433 568 A N -1.147 121.495 122.820 -0.297 0.000 1.878 568 A HA -0.148 4.172 4.320 -0.000 0.000 0.213 568 A C 2.508 180.024 177.584 -0.113 0.000 1.192 568 A CA 1.489 53.414 52.037 -0.186 0.000 0.619 568 A CB -0.579 18.309 19.000 -0.187 0.000 0.837 568 A HN 0.298 nan 8.150 nan 0.000 0.446 569 S N -0.957 114.697 115.700 -0.078 0.000 2.348 569 S HA -0.132 4.338 4.470 -0.000 0.000 0.221 569 S C 1.987 176.613 174.600 0.042 0.000 1.033 569 S CA 2.421 60.632 58.200 0.018 0.000 1.010 569 S CB -0.404 62.861 63.200 0.109 0.000 0.891 569 S HN 0.574 nan 8.310 nan 0.000 0.442 570 T N 1.128 115.688 114.554 0.010 0.000 3.004 570 T HA 0.182 4.532 4.350 -0.000 0.000 0.243 570 T C 1.381 176.065 174.700 -0.026 0.000 1.020 570 T CA 0.512 62.639 62.100 0.045 0.000 1.145 570 T CB -0.124 68.864 68.868 0.199 0.000 0.876 570 T HN 0.300 nan 8.240 nan 0.000 0.449 571 E N 1.334 121.427 120.200 -0.179 0.000 2.489 571 E HA 0.150 4.500 4.350 -0.000 0.000 0.193 571 E C -0.038 176.538 176.600 -0.041 0.000 1.057 571 E CA -0.077 56.251 56.400 -0.120 0.000 0.866 571 E CB -0.375 29.186 29.700 -0.232 0.000 0.916 571 E HN 0.422 nan 8.360 nan 0.000 0.500 572 N N 0.556 119.245 118.700 -0.019 0.000 2.725 572 N HA -0.193 4.547 4.740 -0.000 0.000 0.251 572 N C -0.948 174.622 175.510 0.100 0.000 1.031 572 N CA 0.443 53.545 53.050 0.085 0.000 0.720 572 N CB -1.144 37.446 38.487 0.171 0.000 0.930 572 N HN 0.240 nan 8.380 nan 0.000 0.543 573 I N 0.426 120.982 120.570 -0.023 0.000 2.460 573 I HA 0.390 4.560 4.170 -0.000 0.000 0.298 573 I C 0.524 176.594 176.117 -0.079 0.000 0.989 573 I CA -0.904 60.377 61.300 -0.031 0.000 1.173 573 I CB 1.460 39.448 38.000 -0.021 0.000 1.338 573 I HN -0.003 nan 8.210 nan 0.000 0.456 574 I N 5.895 126.429 120.570 -0.060 0.000 2.342 574 I HA 0.241 4.411 4.170 -0.000 0.000 0.291 574 I C -0.566 175.518 176.117 -0.055 0.000 1.010 574 I CA -0.566 60.662 61.300 -0.120 0.000 1.308 574 I CB 1.366 39.303 38.000 -0.105 0.000 1.400 574 I HN 0.165 nan 8.210 nan 0.000 0.488 575 V N 6.509 126.378 119.914 -0.075 0.000 2.357 575 V HA 0.650 4.770 4.120 -0.000 0.000 0.284 575 V C 0.258 176.359 176.094 0.012 0.000 1.018 575 V CA -0.418 61.888 62.300 0.009 0.000 0.841 575 V CB 1.195 33.019 31.823 0.002 0.000 0.991 575 V HN 0.841 nan 8.190 nan 0.000 0.437 576 A N 3.950 126.801 122.820 0.050 0.000 2.354 576 A HA 0.969 5.289 4.320 -0.000 0.000 0.321 576 A C -0.226 177.465 177.584 0.178 0.000 1.125 576 A CA -0.541 51.516 52.037 0.032 0.000 0.799 576 A CB 1.881 20.750 19.000 -0.218 0.000 1.293 576 A HN 0.674 nan 8.150 nan 0.000 0.452 577 S N -0.493 115.360 115.700 0.256 0.000 2.549 577 S HA 0.764 5.234 4.470 -0.000 0.000 0.280 577 S C -1.569 173.358 174.600 0.546 0.000 1.109 577 S CA -0.292 58.118 58.200 0.350 0.000 0.905 577 S CB 1.377 64.735 63.200 0.262 0.000 1.081 577 S HN 0.837 nan 8.310 nan 0.000 0.477 578 F N 1.775 121.939 119.950 0.355 0.000 2.574 578 F HA 0.483 5.010 4.527 -0.000 0.000 0.313 578 F C -1.678 174.300 175.800 0.297 0.000 1.130 578 F CA -0.699 57.539 58.000 0.395 0.000 0.936 578 F CB 1.489 40.722 39.000 0.388 0.000 1.219 578 F HN 0.390 nan 8.300 nan 0.000 0.445 579 D N 4.426 124.566 120.400 -0.433 0.000 2.427 579 D HA 0.438 5.078 4.640 -0.000 0.000 0.226 579 D C 0.245 176.083 176.300 -0.770 0.000 1.076 579 D CA 0.112 53.916 54.000 -0.328 0.000 0.849 579 D CB 1.703 42.512 40.800 0.015 0.000 1.052 579 D HN 0.791 nan 8.370 nan 0.000 0.515 580 G N 1.507 109.926 108.800 -0.635 0.000 3.019 580 G HA2 0.295 4.255 3.960 -0.000 0.000 0.152 580 G HA3 0.295 4.255 3.960 -0.000 0.000 0.152 580 G C 0.009 174.717 174.900 -0.320 0.000 1.320 580 G CA -0.663 43.976 45.100 -0.767 0.000 1.013 580 G HN 0.287 nan 8.290 nan 0.000 0.593 581 R N -0.297 120.058 120.500 -0.241 0.000 2.570 581 R HA 0.391 4.731 4.340 -0.000 0.000 0.277 581 R C 1.132 177.483 176.300 0.084 0.000 1.039 581 R CA 1.402 57.528 56.100 0.044 0.000 1.065 581 R CB 0.611 30.953 30.300 0.070 0.000 0.964 581 R HN 1.021 nan 8.270 nan 0.000 0.428 582 G N 1.316 110.177 108.800 0.103 0.000 2.279 582 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.223 582 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.223 582 G C 0.187 175.099 174.900 0.019 0.000 1.015 582 G CA 0.067 45.209 45.100 0.069 0.000 0.621 582 G HN 0.719 nan 8.290 nan 0.000 0.506 583 S N 0.584 116.303 115.700 0.032 0.000 2.580 583 S HA 0.593 5.063 4.470 -0.000 0.000 0.266 583 S C 0.871 175.474 174.600 0.005 0.000 1.354 583 S CA 0.665 58.889 58.200 0.039 0.000 1.008 583 S CB 1.571 64.821 63.200 0.082 0.000 0.898 583 S HN 1.757 nan 8.310 nan 0.000 0.555 584 G N -1.091 107.686 108.800 -0.038 0.000 2.705 584 G HA2 0.519 4.479 3.960 -0.000 0.000 0.299 584 G HA3 0.519 4.479 3.960 -0.000 0.000 0.299 584 G C -1.029 173.791 174.900 -0.133 0.000 1.315 584 G CA -1.048 43.895 45.100 -0.262 0.000 1.045 584 G HN 0.935 nan 8.290 nan 0.000 0.517 585 Y N -2.278 118.032 120.300 0.018 0.000 4.668 585 Y HA -0.206 4.343 4.550 -0.000 0.000 0.234 585 Y C 1.356 177.278 175.900 0.037 0.000 1.056 585 Y CA 1.038 59.157 58.100 0.031 0.000 2.025 585 Y CB -2.116 36.383 38.460 0.065 0.000 1.613 585 Y HN 0.533 nan 8.280 nan 0.000 0.653 586 Q N -0.117 119.715 119.800 0.054 0.000 2.086 586 Q HA 0.510 4.850 4.340 -0.000 0.000 0.220 586 Q C 0.808 176.671 176.000 -0.228 0.000 0.792 586 Q CA 0.213 56.048 55.803 0.053 0.000 1.062 586 Q CB 1.714 30.518 28.738 0.111 0.000 1.198 586 Q HN 0.574 nan 8.270 nan 0.000 0.466 587 G N 0.755 109.292 108.800 -0.439 0.000 2.697 587 G HA2 -0.172 3.787 3.960 -0.000 0.000 0.686 587 G HA3 -0.172 3.787 3.960 -0.000 0.000 0.686 587 G C -0.540 174.012 174.900 -0.579 0.000 1.179 587 G CA -0.668 43.934 45.100 -0.829 0.000 0.765 587 G HN 0.113 nan 8.290 nan 0.000 0.649 588 D N 0.080 120.098 120.400 -0.638 0.000 2.218 588 D HA -0.079 4.561 4.640 -0.000 0.000 0.204 588 D C 2.261 178.213 176.300 -0.579 0.000 0.976 588 D CA 1.407 54.929 54.000 -0.797 0.000 0.853 588 D CB 0.079 40.385 40.800 -0.824 0.000 0.939 588 D HN 0.615 nan 8.370 nan 0.000 0.481 589 K N 0.696 120.861 120.400 -0.392 0.000 2.001 589 K HA -0.175 4.144 4.320 -0.000 0.000 0.214 589 K C 2.007 178.530 176.600 -0.128 0.000 1.050 589 K CA 1.255 57.414 56.287 -0.213 0.000 0.934 589 K CB -0.312 32.081 32.500 -0.178 0.000 0.718 589 K HN 0.151 nan 8.250 nan 0.000 0.443 590 I N 0.612 121.114 120.570 -0.115 0.000 2.353 590 I HA -0.226 3.944 4.170 -0.000 0.000 0.248 590 I C 2.702 178.829 176.117 0.016 0.000 1.119 590 I CA 0.823 62.137 61.300 0.023 0.000 1.417 590 I CB -0.092 37.967 38.000 0.099 0.000 1.078 590 I HN 0.380 nan 8.210 nan 0.000 0.421 591 M N 0.142 119.678 119.600 -0.106 0.000 2.123 591 M HA -0.198 4.282 4.480 -0.000 0.000 0.263 591 M C 1.891 178.250 176.300 0.099 0.000 1.069 591 M CA 1.925 57.194 55.300 -0.053 0.000 1.133 591 M CB -0.271 32.208 32.600 -0.201 0.000 1.356 591 M HN 0.241 nan 8.290 nan 0.000 0.415 592 H N -0.442 118.529 119.070 -0.164 0.000 2.553 592 H HA 0.154 4.710 4.556 -0.000 0.000 0.269 592 H C 1.819 177.160 175.328 0.021 0.000 1.011 592 H CA 0.045 55.988 56.048 -0.176 0.000 1.150 592 H CB 0.099 29.648 29.762 -0.356 0.000 1.339 592 H HN 0.529 nan 8.280 nan 0.000 0.604 593 A N 1.590 124.520 122.820 0.184 0.000 1.940 593 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 593 A C 2.087 179.873 177.584 0.336 0.000 1.176 593 A CA 1.153 53.330 52.037 0.233 0.000 0.631 593 A CB -0.594 18.525 19.000 0.198 0.000 0.814 593 A HN 0.586 nan 8.150 nan 0.000 0.446 594 I N -2.831 117.894 120.570 0.259 0.000 3.810 594 I HA 0.141 4.310 4.170 -0.000 0.000 0.322 594 I C 0.386 176.556 176.117 0.088 0.000 1.288 594 I CA -0.415 60.967 61.300 0.136 0.000 1.143 594 I CB -0.726 37.323 38.000 0.082 0.000 1.012 594 I HN 0.235 nan 8.210 nan 0.000 0.423 595 N N 2.937 121.746 118.700 0.181 0.000 2.412 595 N HA -0.074 4.666 4.740 -0.000 0.000 0.258 595 N C 0.185 175.685 175.510 -0.016 0.000 1.236 595 N CA 0.248 53.407 53.050 0.181 0.000 0.882 595 N CB 0.347 38.919 38.487 0.142 0.000 1.066 595 N HN 0.398 nan 8.380 nan 0.000 0.465 596 R N 0.366 120.826 120.500 -0.068 0.000 3.946 596 R HA -0.205 4.134 4.340 -0.000 0.000 0.329 596 R C -0.227 175.911 176.300 -0.269 0.000 1.209 596 R CA 1.548 57.537 56.100 -0.184 0.000 0.909 596 R CB -1.498 28.683 30.300 -0.198 0.000 1.355 596 R HN 0.782 nan 8.270 nan 0.000 0.539 597 R N -0.308 120.075 120.500 -0.195 0.000 2.583 597 R HA 0.256 4.596 4.340 -0.000 0.000 0.329 597 R C -0.461 175.785 176.300 -0.089 0.000 1.166 597 R CA -0.677 55.350 56.100 -0.122 0.000 1.264 597 R CB 0.154 30.326 30.300 -0.213 0.000 1.324 597 R HN -0.034 nan 8.270 nan 0.000 0.684 598 L N 0.870 122.023 121.223 -0.116 0.000 2.483 598 L HA 0.237 4.577 4.340 -0.000 0.000 0.276 598 L C 1.278 178.272 176.870 0.206 0.000 1.213 598 L CA 1.509 56.342 54.840 -0.011 0.000 0.843 598 L CB 0.533 42.435 42.059 -0.263 0.000 1.107 598 L HN 0.820 nan 8.230 nan 0.000 0.487 599 G N 0.625 109.622 108.800 0.327 0.000 2.175 599 G HA2 -0.313 3.646 3.960 -0.000 0.000 0.244 599 G HA3 -0.313 3.646 3.960 -0.000 0.000 0.244 599 G C 0.592 175.538 174.900 0.077 0.000 0.982 599 G CA 0.622 45.885 45.100 0.270 0.000 0.641 599 G HN 0.786 nan 8.290 nan 0.000 0.527 600 T N -2.497 112.064 114.554 0.013 0.000 3.608 600 T HA 0.433 4.783 4.350 -0.000 0.000 0.213 600 T C 1.810 176.537 174.700 0.045 0.000 0.897 600 T CA 1.229 63.283 62.100 -0.077 0.000 1.533 600 T CB -0.258 68.407 68.868 -0.339 0.000 1.504 600 T HN 0.136 nan 8.240 nan 0.000 0.446 601 F N 3.463 123.454 119.950 0.068 0.000 2.134 601 F HA 0.077 4.604 4.527 -0.000 0.000 0.299 601 F C 2.814 178.648 175.800 0.056 0.000 1.097 601 F CA 1.046 59.071 58.000 0.042 0.000 1.264 601 F CB -0.910 38.096 39.000 0.009 0.000 1.001 601 F HN 0.492 nan 8.300 nan 0.000 0.479 602 E N 0.777 121.124 120.200 0.246 0.000 2.204 602 E HA -0.116 4.234 4.350 -0.000 0.000 0.194 602 E C 2.098 178.800 176.600 0.169 0.000 0.989 602 E CA 1.344 57.854 56.400 0.184 0.000 0.824 602 E CB -1.015 28.783 29.700 0.164 0.000 0.756 602 E HN 0.296 nan 8.360 nan 0.000 0.477 603 V N 1.676 121.672 119.914 0.136 0.000 2.346 603 V HA -0.187 3.933 4.120 -0.000 0.000 0.244 603 V C 2.330 178.479 176.094 0.091 0.000 1.037 603 V CA 2.014 64.355 62.300 0.069 0.000 1.029 603 V CB -0.513 31.303 31.823 -0.012 0.000 0.663 603 V HN 0.211 nan 8.190 nan 0.000 0.454 604 E N 0.101 120.378 120.200 0.128 0.000 2.077 604 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 604 E C 1.906 178.584 176.600 0.130 0.000 0.989 604 E CA 1.496 57.978 56.400 0.136 0.000 0.800 604 E CB -0.190 29.626 29.700 0.194 0.000 0.746 604 E HN 0.558 nan 8.360 nan 0.000 0.452 605 D N 0.381 120.880 120.400 0.165 0.000 2.219 605 D HA -0.128 4.512 4.640 -0.000 0.000 0.205 605 D C 1.966 178.323 176.300 0.096 0.000 0.970 605 D CA 0.736 54.827 54.000 0.152 0.000 0.851 605 D CB -0.071 40.860 40.800 0.220 0.000 0.943 605 D HN 0.110 nan 8.370 nan 0.000 0.488 606 Q N 0.076 119.975 119.800 0.165 0.000 2.119 606 Q HA -0.028 4.311 4.340 -0.000 0.000 0.201 606 Q C 2.530 178.603 176.000 0.121 0.000 0.972 606 Q CA 0.509 56.418 55.803 0.176 0.000 0.847 606 Q CB -0.013 28.840 28.738 0.191 0.000 0.903 606 Q HN 0.431 nan 8.270 nan 0.000 0.433 607 I N 0.614 121.261 120.570 0.127 0.000 2.202 607 I HA -0.243 3.926 4.170 -0.000 0.000 0.242 607 I C 2.402 178.504 176.117 -0.026 0.000 1.091 607 I CA 1.159 62.556 61.300 0.162 0.000 1.368 607 I CB -0.217 37.874 38.000 0.152 0.000 1.058 607 I HN 0.133 nan 8.210 nan 0.000 0.410 608 E N 1.641 121.785 120.200 -0.094 0.000 2.106 608 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 608 E C 2.054 178.412 176.600 -0.403 0.000 0.984 608 E CA 1.685 57.966 56.400 -0.198 0.000 0.806 608 E CB -0.171 29.434 29.700 -0.158 0.000 0.750 608 E HN 0.403 nan 8.360 nan 0.000 0.458 609 A N -0.486 121.972 122.820 -0.603 0.000 1.930 609 A HA -0.128 4.191 4.320 -0.000 0.000 0.217 609 A C 2.439 179.366 177.584 -1.096 0.000 1.175 609 A CA 1.958 53.323 52.037 -1.121 0.000 0.627 609 A CB -0.955 16.916 19.000 -1.882 0.000 0.815 609 A HN 0.350 nan 8.150 nan 0.000 0.443 610 T N -0.906 113.369 114.554 -0.466 0.000 2.867 610 T HA -0.109 4.241 4.350 -0.000 0.000 0.268 610 T C 2.037 176.598 174.700 -0.232 0.000 1.057 610 T CA 1.434 63.458 62.100 -0.128 0.000 1.136 610 T CB -0.189 68.714 68.868 0.059 0.000 0.874 610 T HN 0.545 nan 8.240 nan 0.000 0.466 611 R N 0.806 121.134 120.500 -0.286 0.000 2.096 611 R HA -0.059 4.281 4.340 -0.000 0.000 0.235 611 R C 2.471 178.617 176.300 -0.257 0.000 1.127 611 R CA 1.326 57.281 56.100 -0.242 0.000 0.968 611 R CB -0.056 30.122 30.300 -0.202 0.000 0.861 611 R HN 0.467 nan 8.270 nan 0.000 0.440 612 Q N -0.922 118.649 119.800 -0.382 0.000 2.172 612 Q HA -0.116 4.224 4.340 -0.000 0.000 0.200 612 Q C 1.777 177.612 176.000 -0.275 0.000 0.964 612 Q CA 1.071 56.661 55.803 -0.356 0.000 0.855 612 Q CB 0.034 28.496 28.738 -0.461 0.000 0.918 612 Q HN 0.290 nan 8.270 nan 0.000 0.444 613 F N 0.900 120.691 119.950 -0.266 0.000 2.146 613 F HA -0.171 4.356 4.527 -0.000 0.000 0.298 613 F C 2.729 178.376 175.800 -0.256 0.000 1.096 613 F CA 1.366 59.207 58.000 -0.265 0.000 1.275 613 F CB -1.065 37.800 39.000 -0.224 0.000 1.008 613 F HN 0.064 nan 8.300 nan 0.000 0.480 614 S N -0.377 115.303 115.700 -0.033 0.000 2.474 614 S HA -0.148 4.322 4.470 -0.000 0.000 0.235 614 S C 1.717 176.235 174.600 -0.137 0.000 0.997 614 S CA 0.823 58.965 58.200 -0.097 0.000 0.949 614 S CB -0.544 62.586 63.200 -0.118 0.000 0.766 614 S HN 0.414 nan 8.310 nan 0.000 0.517 615 K N 0.252 120.565 120.400 -0.145 0.000 2.365 615 K HA 0.250 4.570 4.320 -0.000 0.000 0.197 615 K C 0.212 176.710 176.600 -0.170 0.000 1.042 615 K CA 0.217 56.420 56.287 -0.139 0.000 0.987 615 K CB -0.118 32.308 32.500 -0.122 0.000 0.779 615 K HN 0.468 nan 8.250 nan 0.000 0.484 616 M N 0.936 120.386 119.600 -0.251 0.000 2.251 616 M HA 0.028 4.508 4.480 -0.000 0.000 0.346 616 M C 1.350 177.362 176.300 -0.480 0.000 1.499 616 M CA -0.041 55.029 55.300 -0.385 0.000 1.128 616 M CB 0.963 33.203 32.600 -0.600 0.000 1.809 616 M HN 0.214 nan 8.290 nan 0.000 0.464 617 G N 3.500 112.151 108.800 -0.249 0.000 2.697 617 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.223 617 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.223 617 G C 0.766 175.639 174.900 -0.045 0.000 1.083 617 G CA 0.970 45.996 45.100 -0.123 0.000 0.722 617 G HN 0.851 nan 8.290 nan 0.000 0.604 618 F N -0.443 119.575 119.950 0.114 0.000 2.692 618 F HA 0.625 5.152 4.527 -0.000 0.000 0.303 618 F C -0.077 175.864 175.800 0.235 0.000 1.114 618 F CA -1.574 56.541 58.000 0.192 0.000 1.361 618 F CB -0.268 38.913 39.000 0.301 0.000 1.063 618 F HN -0.127 nan 8.300 nan 0.000 0.550 619 V N 1.538 121.497 119.914 0.075 0.000 2.448 619 V HA 0.201 4.321 4.120 -0.000 0.000 0.295 619 V C -0.713 175.388 176.094 0.011 0.000 1.025 619 V CA -0.885 61.471 62.300 0.092 0.000 0.859 619 V CB 1.579 33.389 31.823 -0.022 0.000 0.988 619 V HN 0.068 nan 8.190 nan 0.000 0.431 620 D N 3.995 124.397 120.400 0.003 0.000 2.352 620 D HA 0.038 4.678 4.640 -0.000 0.000 0.245 620 D C 1.192 177.458 176.300 -0.056 0.000 1.224 620 D CA -0.273 53.700 54.000 -0.044 0.000 0.879 620 D CB 1.034 41.788 40.800 -0.076 0.000 1.057 620 D HN 0.726 nan 8.370 nan 0.000 0.491 621 D N 3.075 123.441 120.400 -0.057 0.000 2.351 621 D HA -0.190 4.450 4.640 -0.000 0.000 0.216 621 D C 0.795 177.066 176.300 -0.049 0.000 0.968 621 D CA 0.633 54.594 54.000 -0.066 0.000 0.899 621 D CB 0.181 40.937 40.800 -0.073 0.000 0.907 621 D HN 0.412 nan 8.370 nan 0.000 0.514 622 K N -0.170 120.210 120.400 -0.033 0.000 2.400 622 K HA 0.122 4.442 4.320 -0.000 0.000 0.194 622 K C 0.656 177.275 176.600 0.032 0.000 1.033 622 K CA 0.153 56.437 56.287 -0.005 0.000 1.021 622 K CB 0.521 33.018 32.500 -0.006 0.000 0.808 622 K HN -0.013 nan 8.250 nan 0.000 0.505 623 R N 1.299 121.802 120.500 0.005 0.000 2.564 623 R HA 0.363 4.702 4.340 -0.000 0.000 0.282 623 R C -1.031 175.301 176.300 0.052 0.000 1.573 623 R CA -0.122 56.011 56.100 0.056 0.000 1.588 623 R CB 0.679 30.893 30.300 -0.144 0.000 1.154 623 R HN -0.010 nan 8.270 nan 0.000 0.606 624 I N 1.159 121.856 120.570 0.212 0.000 2.436 624 I HA 0.606 4.775 4.170 -0.000 0.000 0.289 624 I C -0.100 176.304 176.117 0.478 0.000 1.010 624 I CA -0.825 60.623 61.300 0.245 0.000 1.098 624 I CB 1.990 39.988 38.000 -0.004 0.000 1.266 624 I HN 0.364 nan 8.210 nan 0.000 0.434 625 A N 6.909 130.104 122.820 0.625 0.000 2.437 625 A HA 0.949 5.269 4.320 -0.000 0.000 0.292 625 A C -1.181 176.760 177.584 0.594 0.000 1.173 625 A CA -0.665 51.722 52.037 0.583 0.000 0.785 625 A CB 2.322 21.547 19.000 0.374 0.000 1.351 625 A HN 0.738 nan 8.150 nan 0.000 0.431 626 I N -0.183 120.654 120.570 0.445 0.000 2.918 626 I HA 0.711 4.881 4.170 -0.000 0.000 0.301 626 I C -2.098 174.279 176.117 0.432 0.000 1.312 626 I CA -0.599 60.910 61.300 0.349 0.000 1.007 626 I CB 1.908 39.876 38.000 -0.055 0.000 1.281 626 I HN 0.986 nan 8.210 nan 0.000 0.440 627 W N 6.227 127.656 121.300 0.214 0.000 3.146 627 W HA 0.817 5.477 4.660 -0.000 0.000 0.319 627 W C -1.522 175.150 176.519 0.256 0.000 1.258 627 W CA -0.867 56.616 57.345 0.230 0.000 1.189 627 W CB 0.818 30.458 29.460 0.300 0.000 1.412 627 W HN 0.847 nan 8.180 nan 0.000 0.567 628 G N 0.491 109.169 108.800 -0.202 0.000 2.623 628 G HA2 0.509 4.469 3.960 -0.000 0.000 0.290 628 G HA3 0.509 4.469 3.960 -0.000 0.000 0.290 628 G C -2.780 172.084 174.900 -0.061 0.000 1.437 628 G CA -0.747 44.124 45.100 -0.381 0.000 0.798 628 G HN 0.602 nan 8.290 nan 0.000 0.488 629 W N 0.983 122.196 121.300 -0.146 0.000 2.702 629 W HA 0.564 5.224 4.660 -0.000 0.000 0.331 629 W C 0.728 177.320 176.519 0.122 0.000 1.049 629 W CA 0.350 57.697 57.345 0.002 0.000 1.230 629 W CB 1.598 31.050 29.460 -0.013 0.000 1.408 629 W HN 1.022 nan 8.180 nan 0.000 0.492 630 S N 1.986 117.927 115.700 0.403 0.000 4.114 630 S HA -0.427 4.043 4.470 -0.000 0.000 0.618 630 S C 0.863 175.599 174.600 0.226 0.000 1.937 630 S CA 1.662 60.084 58.200 0.372 0.000 4.228 630 S CB -1.548 61.987 63.200 0.558 0.000 0.216 630 S HN 0.743 nan 8.310 nan 0.000 0.528 631 Y N 3.009 123.391 120.300 0.137 0.000 2.241 631 Y HA -0.064 4.486 4.550 -0.000 0.000 0.286 631 Y C 2.350 178.281 175.900 0.052 0.000 1.166 631 Y CA 2.221 60.329 58.100 0.014 0.000 1.203 631 Y CB -0.965 37.344 38.460 -0.252 0.000 0.977 631 Y HN 0.531 nan 8.280 nan 0.000 0.529 632 G N -1.195 107.781 108.800 0.294 0.000 2.422 632 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.218 632 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.218 632 G C 1.906 176.876 174.900 0.116 0.000 1.140 632 G CA 0.662 45.894 45.100 0.219 0.000 0.775 632 G HN 0.565 nan 8.290 nan 0.000 0.545 633 G N -0.156 108.717 108.800 0.122 0.000 2.403 633 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.216 633 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.216 633 G C 1.587 176.533 174.900 0.077 0.000 1.154 633 G CA 1.021 46.175 45.100 0.090 0.000 0.784 633 G HN 0.387 nan 8.290 nan 0.000 0.538 634 Y N 1.512 121.740 120.300 -0.120 0.000 2.097 634 Y HA -0.158 4.392 4.550 -0.000 0.000 0.282 634 Y C 2.765 178.579 175.900 -0.144 0.000 1.152 634 Y CA 1.678 59.644 58.100 -0.224 0.000 1.136 634 Y CB -0.576 37.586 38.460 -0.496 0.000 0.975 634 Y HN 0.030 nan 8.280 nan 0.000 0.498 635 V N -0.212 119.559 119.914 -0.239 0.000 2.295 635 V HA -0.335 3.785 4.120 -0.000 0.000 0.246 635 V C 2.332 178.311 176.094 -0.192 0.000 1.049 635 V CA 2.452 64.607 62.300 -0.242 0.000 1.024 635 V CB -1.232 30.608 31.823 0.029 0.000 0.648 635 V HN 0.505 nan 8.190 nan 0.000 0.447 636 T N -0.158 114.344 114.554 -0.087 0.000 2.665 636 T HA -0.230 4.120 4.350 -0.000 0.000 0.268 636 T C 2.146 176.783 174.700 -0.104 0.000 1.035 636 T CA 2.087 64.145 62.100 -0.070 0.000 1.151 636 T CB -0.319 68.587 68.868 0.063 0.000 0.862 636 T HN 0.501 nan 8.240 nan 0.000 0.438 637 S N 0.951 116.624 115.700 -0.044 0.000 2.356 637 S HA -0.049 4.421 4.470 -0.000 0.000 0.223 637 S C 2.171 176.688 174.600 -0.139 0.000 1.032 637 S CA 1.031 59.222 58.200 -0.015 0.000 1.005 637 S CB -0.313 62.930 63.200 0.072 0.000 0.867 637 S HN 0.305 nan 8.310 nan 0.000 0.449 638 M N 0.932 120.361 119.600 -0.286 0.000 2.108 638 M HA -0.043 4.437 4.480 -0.000 0.000 0.261 638 M C 2.225 178.375 176.300 -0.251 0.000 1.066 638 M CA 1.105 56.226 55.300 -0.298 0.000 1.107 638 M CB -1.546 30.770 32.600 -0.473 0.000 1.356 638 M HN 0.169 nan 8.290 nan 0.000 0.406 639 V N 0.523 120.277 119.914 -0.265 0.000 2.295 639 V HA -0.244 3.875 4.120 -0.000 0.000 0.246 639 V C 2.564 178.465 176.094 -0.322 0.000 1.049 639 V CA 1.382 63.524 62.300 -0.264 0.000 1.024 639 V CB -0.607 30.999 31.823 -0.361 0.000 0.648 639 V HN 0.402 nan 8.190 nan 0.000 0.447 640 L N 0.341 121.310 121.223 -0.423 0.000 2.079 640 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 640 L C 2.304 178.715 176.870 -0.764 0.000 1.081 640 L CA 1.689 56.205 54.840 -0.541 0.000 0.752 640 L CB -0.850 40.827 42.059 -0.637 0.000 0.896 640 L HN 0.508 nan 8.230 nan 0.000 0.433 641 G N -1.370 106.946 108.800 -0.807 0.000 3.026 641 G HA2 0.133 4.093 3.960 -0.000 0.000 0.208 641 G HA3 0.133 4.093 3.960 -0.000 0.000 0.208 641 G C 1.438 176.188 174.900 -0.249 0.000 1.169 641 G CA 0.517 45.248 45.100 -0.616 0.000 0.788 641 G HN 0.410 nan 8.290 nan 0.000 0.533 642 A N -0.085 122.614 122.820 -0.201 0.000 2.169 642 A HA 0.449 4.769 4.320 -0.000 0.000 0.212 642 A C 2.080 179.627 177.584 -0.062 0.000 1.153 642 A CA 1.178 53.158 52.037 -0.094 0.000 0.756 642 A CB -0.365 18.601 19.000 -0.056 0.000 0.813 642 A HN 1.419 nan 8.150 nan 0.000 0.471 643 G N 0.134 108.884 108.800 -0.083 0.000 2.249 643 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.273 643 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.273 643 G C 0.979 175.874 174.900 -0.009 0.000 1.036 643 G CA 1.246 46.319 45.100 -0.045 0.000 0.824 643 G HN 1.434 nan 8.290 nan 0.000 0.504 644 S N -1.026 114.684 115.700 0.017 0.000 2.481 644 S HA 0.323 4.793 4.470 -0.000 0.000 0.231 644 S C 2.468 177.076 174.600 0.014 0.000 0.996 644 S CA 1.405 59.624 58.200 0.031 0.000 0.942 644 S CB -0.098 63.151 63.200 0.081 0.000 0.768 644 S HN 2.367 nan 8.310 nan 0.000 0.520 645 G N 0.282 109.096 108.800 0.023 0.000 2.189 645 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.267 645 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.267 645 G C 0.787 175.674 174.900 -0.021 0.000 0.975 645 G CA 0.499 45.603 45.100 0.007 0.000 0.644 645 G HN 0.686 nan 8.290 nan 0.000 0.537 646 V N -0.568 119.317 119.914 -0.049 0.000 2.488 646 V HA 0.255 4.375 4.120 -0.000 0.000 0.246 646 V C 1.240 177.105 176.094 -0.380 0.000 1.046 646 V CA 1.524 63.665 62.300 -0.264 0.000 1.053 646 V CB -0.375 31.168 31.823 -0.467 0.000 0.679 646 V HN 0.300 nan 8.190 nan 0.000 0.458 647 F N -0.138 119.830 119.950 0.031 0.000 2.421 647 F HA 0.425 4.952 4.527 -0.000 0.000 0.337 647 F C 1.081 176.924 175.800 0.072 0.000 1.105 647 F CA -0.637 57.406 58.000 0.071 0.000 1.049 647 F CB 1.432 40.478 39.000 0.076 0.000 1.139 647 F HN -0.262 nan 8.300 nan 0.000 0.479 648 K N 1.322 121.887 120.400 0.275 0.000 2.128 648 K HA 0.131 4.451 4.320 -0.000 0.000 0.202 648 K C -0.117 176.607 176.600 0.206 0.000 1.050 648 K CA 0.875 57.281 56.287 0.199 0.000 0.966 648 K CB 0.281 32.895 32.500 0.189 0.000 0.759 648 K HN 0.808 nan 8.250 nan 0.000 0.454 649 c N -2.528 116.227 118.600 0.259 0.000 3.318 649 c HA 0.914 5.484 4.570 -0.000 0.000 0.322 649 c C -0.193 174.109 174.090 0.355 0.000 1.398 649 c CA -0.653 55.847 56.329 0.285 0.000 1.339 649 c CB 1.098 43.705 42.510 0.161 0.000 1.668 649 c HN 0.360 nan 8.230 nan 0.000 0.462 650 G N -0.049 109.024 108.800 0.455 0.000 2.673 650 G HA2 0.711 4.671 3.960 -0.000 0.000 0.292 650 G HA3 0.711 4.671 3.960 -0.000 0.000 0.292 650 G C -2.006 173.129 174.900 0.393 0.000 1.450 650 G CA -0.672 44.673 45.100 0.409 0.000 0.837 650 G HN 0.974 nan 8.290 nan 0.000 0.505 651 I N 0.706 121.479 120.570 0.337 0.000 2.466 651 I HA 0.632 4.802 4.170 -0.000 0.000 0.289 651 I C 0.138 176.390 176.117 0.225 0.000 1.026 651 I CA -0.955 60.431 61.300 0.143 0.000 1.078 651 I CB 2.293 40.356 38.000 0.106 0.000 1.249 651 I HN 0.669 nan 8.210 nan 0.000 0.429 652 A N 6.333 129.185 122.820 0.052 0.000 2.318 652 A HA 0.816 5.136 4.320 -0.000 0.000 0.317 652 A C -0.862 176.669 177.584 -0.088 0.000 1.159 652 A CA -0.525 51.555 52.037 0.073 0.000 0.799 652 A CB 1.282 20.392 19.000 0.183 0.000 1.194 652 A HN 0.432 nan 8.150 nan 0.000 0.479 653 V N 1.974 121.792 119.914 -0.160 0.000 2.417 653 V HA 0.584 4.704 4.120 -0.000 0.000 0.291 653 V C 0.907 176.709 176.094 -0.488 0.000 1.024 653 V CA 0.247 62.268 62.300 -0.466 0.000 0.861 653 V CB 0.903 32.148 31.823 -0.964 0.000 0.985 653 V HN 2.129 nan 8.190 nan 0.000 0.436 654 A N 5.541 128.046 122.820 -0.524 0.000 2.415 654 A HA -0.108 4.212 4.320 -0.000 0.000 0.292 654 A C -1.767 175.713 177.584 -0.174 0.000 1.452 654 A CA 0.552 52.202 52.037 -0.644 0.000 0.750 654 A CB -1.514 17.227 19.000 -0.430 0.000 1.099 654 A HN 0.614 nan 8.150 nan 0.000 0.391 655 P HA 0.478 nan 4.420 nan 0.000 0.279 655 P C 0.086 177.356 177.300 -0.051 0.000 1.252 655 P CA -0.367 62.729 63.100 -0.007 0.000 0.811 655 P CB 1.435 33.160 31.700 0.042 0.000 1.035 656 V N 1.749 121.530 119.914 -0.222 0.000 2.732 656 V HA 0.134 4.253 4.120 -0.000 0.000 0.297 656 V C 1.633 177.517 176.094 -0.351 0.000 1.060 656 V CA 0.817 62.833 62.300 -0.475 0.000 1.038 656 V CB 0.944 32.080 31.823 -1.146 0.000 1.003 656 V HN 0.854 nan 8.190 nan 0.000 0.481 657 S N 2.535 118.066 115.700 -0.281 0.000 2.619 657 S HA 0.298 4.768 4.470 -0.000 0.000 0.238 657 S C 0.311 174.768 174.600 -0.239 0.000 1.068 657 S CA -0.258 57.862 58.200 -0.134 0.000 0.926 657 S CB 0.293 63.478 63.200 -0.024 0.000 0.864 657 S HN 0.626 nan 8.310 nan 0.000 0.493 658 K N -0.263 119.907 120.400 -0.382 0.000 2.615 658 K HA 0.310 4.630 4.320 -0.000 0.000 0.249 658 K C -1.009 175.315 176.600 -0.459 0.000 0.977 658 K CA -0.683 55.323 56.287 -0.469 0.000 0.833 658 K CB 0.753 32.835 32.500 -0.695 0.000 1.208 658 K HN 0.185 nan 8.250 nan 0.000 0.443 659 W N 2.243 123.466 121.300 -0.127 0.000 2.387 659 W HA -0.123 4.537 4.660 -0.000 0.000 0.272 659 W C 1.146 177.782 176.519 0.195 0.000 1.224 659 W CA 0.718 58.073 57.345 0.016 0.000 1.210 659 W CB 0.292 29.718 29.460 -0.057 0.000 1.125 659 W HN 0.724 nan 8.180 nan 0.000 0.572 660 E N -1.173 119.180 120.200 0.256 0.000 2.418 660 E HA -0.170 4.180 4.350 -0.000 0.000 0.197 660 E C 1.201 177.924 176.600 0.205 0.000 1.026 660 E CA 0.665 57.166 56.400 0.168 0.000 0.862 660 E CB -0.186 29.493 29.700 -0.035 0.000 0.799 660 E HN 0.385 nan 8.360 nan 0.000 0.518 661 Y N -1.355 119.034 120.300 0.148 0.000 2.503 661 Y HA 0.052 4.602 4.550 -0.000 0.000 0.278 661 Y C 0.798 176.775 175.900 0.128 0.000 1.111 661 Y CA -0.329 57.819 58.100 0.079 0.000 1.270 661 Y CB -0.374 38.077 38.460 -0.014 0.000 1.063 661 Y HN 0.014 nan 8.280 nan 0.000 0.548 662 Y N 2.167 122.612 120.300 0.241 0.000 2.295 662 Y HA 0.239 4.789 4.550 -0.000 0.000 0.331 662 Y C 0.466 176.578 175.900 0.354 0.000 1.311 662 Y CA -1.867 56.386 58.100 0.255 0.000 1.430 662 Y CB 0.248 38.910 38.460 0.337 0.000 1.339 662 Y HN 0.213 nan 8.280 nan 0.000 0.552 663 D N -0.525 119.637 120.400 -0.397 0.000 2.382 663 D HA 0.064 4.704 4.640 -0.000 0.000 0.240 663 D C 0.995 177.298 176.300 0.004 0.000 1.146 663 D CA 0.420 54.256 54.000 -0.274 0.000 0.897 663 D CB 0.790 41.206 40.800 -0.641 0.000 1.197 663 D HN 0.477 nan 8.370 nan 0.000 0.432 664 S N 1.107 116.814 115.700 0.011 0.000 2.359 664 S HA -0.225 4.244 4.470 -0.000 0.000 0.224 664 S C 1.897 176.544 174.600 0.078 0.000 1.035 664 S CA 1.210 59.463 58.200 0.088 0.000 1.018 664 S CB -0.989 62.265 63.200 0.091 0.000 0.876 664 S HN 0.433 nan 8.310 nan 0.000 0.448 665 V N 0.822 120.731 119.914 -0.008 0.000 2.255 665 V HA -0.172 3.948 4.120 -0.000 0.000 0.247 665 V C 2.327 178.385 176.094 -0.060 0.000 1.051 665 V CA 2.258 64.491 62.300 -0.113 0.000 1.018 665 V CB -1.106 30.490 31.823 -0.378 0.000 0.641 665 V HN 0.621 nan 8.190 nan 0.000 0.445 666 Y N 1.248 121.524 120.300 -0.040 0.000 2.184 666 Y HA -0.204 4.346 4.550 -0.000 0.000 0.290 666 Y C 2.700 178.646 175.900 0.077 0.000 1.129 666 Y CA 2.236 60.388 58.100 0.087 0.000 1.144 666 Y CB -0.560 38.133 38.460 0.387 0.000 0.995 666 Y HN 0.224 nan 8.280 nan 0.000 0.513 667 T N 0.350 115.131 114.554 0.378 0.000 2.674 667 T HA -0.207 4.143 4.350 -0.000 0.000 0.265 667 T C 1.602 176.269 174.700 -0.055 0.000 1.039 667 T CA 1.944 64.172 62.100 0.214 0.000 1.150 667 T CB -0.346 68.796 68.868 0.457 0.000 0.864 667 T HN 0.418 nan 8.240 nan 0.000 0.427 668 E N 0.531 120.736 120.200 0.008 0.000 2.153 668 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 668 E C 2.349 178.825 176.600 -0.206 0.000 0.988 668 E CA 0.634 57.020 56.400 -0.024 0.000 0.811 668 E CB -0.137 29.594 29.700 0.052 0.000 0.746 668 E HN 0.321 nan 8.360 nan 0.000 0.466 669 R N -0.065 120.177 120.500 -0.430 0.000 2.117 669 R HA -0.204 4.136 4.340 -0.000 0.000 0.243 669 R C 1.216 176.964 176.300 -0.921 0.000 1.143 669 R CA 1.653 57.309 56.100 -0.741 0.000 0.968 669 R CB -0.013 29.571 30.300 -1.194 0.000 0.863 669 R HN 0.248 nan 8.270 nan 0.000 0.444 670 Y N -2.439 117.536 120.300 -0.542 0.000 2.498 670 Y HA 0.236 4.786 4.550 -0.000 0.000 0.259 670 Y C 1.651 177.330 175.900 -0.367 0.000 1.086 670 Y CA -0.046 57.720 58.100 -0.555 0.000 1.287 670 Y CB 0.458 38.445 38.460 -0.788 0.000 1.146 670 Y HN -0.041 nan 8.280 nan 0.000 0.523 671 M N -0.360 119.092 119.600 -0.248 0.000 2.308 671 M HA 0.374 4.854 4.480 -0.000 0.000 0.269 671 M C 1.017 177.286 176.300 -0.051 0.000 1.040 671 M CA 0.768 55.908 55.300 -0.266 0.000 1.024 671 M CB -0.294 31.939 32.600 -0.613 0.000 1.465 671 M HN 0.325 nan 8.290 nan 0.000 0.517 672 G N 1.863 110.664 108.800 0.002 0.000 2.698 672 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.233 672 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.233 672 G C -0.515 174.508 174.900 0.205 0.000 1.352 672 G CA -0.777 44.370 45.100 0.077 0.000 0.879 672 G HN 0.354 nan 8.290 nan 0.000 0.567 673 L N 1.804 123.115 121.223 0.147 0.000 2.350 673 L HA 0.403 4.743 4.340 -0.000 0.000 0.275 673 L C -1.284 175.600 176.870 0.024 0.000 1.099 673 L CA -1.680 53.214 54.840 0.091 0.000 0.808 673 L CB 1.663 43.737 42.059 0.025 0.000 1.149 673 L HN 0.459 nan 8.230 nan 0.000 0.442 674 P HA 0.050 nan 4.420 nan 0.000 0.220 674 P C -0.417 176.724 177.300 -0.266 0.000 1.778 674 P CA -0.116 62.563 63.100 -0.701 0.000 0.912 674 P CB -0.470 30.432 31.700 -1.330 0.000 1.861 675 T N -3.178 111.315 114.554 -0.102 0.000 2.912 675 T HA 0.427 4.777 4.350 -0.000 0.000 0.288 675 T C -1.851 172.847 174.700 -0.005 0.000 1.030 675 T CA -2.486 59.584 62.100 -0.049 0.000 1.020 675 T CB 1.898 70.748 68.868 -0.029 0.000 1.056 675 T HN -0.201 nan 8.240 nan 0.000 0.480 676 P HA -0.092 nan 4.420 nan 0.000 0.221 676 P C 0.665 177.982 177.300 0.027 0.000 1.145 676 P CA 1.080 64.192 63.100 0.020 0.000 0.795 676 P CB 0.208 31.915 31.700 0.012 0.000 0.775 677 E N -0.795 119.416 120.200 0.018 0.000 2.216 677 E HA -0.062 4.288 4.350 -0.000 0.000 0.192 677 E C 1.595 178.212 176.600 0.028 0.000 0.988 677 E CA 0.742 57.154 56.400 0.019 0.000 0.834 677 E CB -0.343 29.363 29.700 0.009 0.000 0.772 677 E HN 0.289 nan 8.360 nan 0.000 0.479 678 D N -0.474 119.948 120.400 0.037 0.000 2.910 678 D HA 0.097 4.737 4.640 -0.000 0.000 0.241 678 D C 0.314 176.667 176.300 0.089 0.000 1.346 678 D CA 0.048 54.079 54.000 0.052 0.000 1.227 678 D CB -0.016 40.816 40.800 0.055 0.000 0.926 678 D HN -0.031 nan 8.370 nan 0.000 0.212 679 N N 0.304 119.094 118.700 0.150 0.000 2.282 679 N HA 0.025 4.765 4.740 -0.000 0.000 0.240 679 N C 1.415 177.147 175.510 0.371 0.000 1.182 679 N CA -0.169 53.021 53.050 0.234 0.000 0.874 679 N CB 0.659 39.273 38.487 0.211 0.000 1.126 679 N HN 0.018 nan 8.380 nan 0.000 0.516 680 L N 1.316 122.674 121.223 0.224 0.000 2.051 680 L HA -0.225 4.115 4.340 -0.000 0.000 0.214 680 L C 1.453 178.459 176.870 0.227 0.000 1.076 680 L CA 1.998 56.942 54.840 0.174 0.000 0.758 680 L CB -0.508 41.579 42.059 0.047 0.000 0.890 680 L HN 0.183 nan 8.230 nan 0.000 0.433 681 D N -1.258 119.262 120.400 0.200 0.000 2.133 681 D HA -0.250 4.390 4.640 -0.000 0.000 0.195 681 D C 2.026 178.385 176.300 0.098 0.000 0.997 681 D CA 1.801 55.882 54.000 0.135 0.000 0.840 681 D CB -0.321 40.557 40.800 0.130 0.000 0.947 681 D HN 0.470 nan 8.370 nan 0.000 0.452 682 Y N -0.902 119.455 120.300 0.094 0.000 2.561 682 Y HA -0.043 4.507 4.550 -0.000 0.000 0.291 682 Y C 1.866 177.807 175.900 0.068 0.000 1.141 682 Y CA 0.206 58.333 58.100 0.045 0.000 1.303 682 Y CB -0.264 38.183 38.460 -0.021 0.000 1.015 682 Y HN 0.053 nan 8.280 nan 0.000 0.547 683 Y N -0.510 119.886 120.300 0.160 0.000 2.206 683 Y HA -0.113 4.437 4.550 -0.000 0.000 0.292 683 Y C 2.406 178.359 175.900 0.088 0.000 1.123 683 Y CA 1.264 59.448 58.100 0.140 0.000 1.142 683 Y CB -0.087 38.434 38.460 0.103 0.000 1.006 683 Y HN -0.130 nan 8.280 nan 0.000 0.518 684 R N 0.349 120.977 120.500 0.214 0.000 2.092 684 R HA -0.124 4.216 4.340 -0.000 0.000 0.231 684 R C 1.465 177.790 176.300 0.042 0.000 1.119 684 R CA 1.405 57.560 56.100 0.093 0.000 0.970 684 R CB -0.367 29.964 30.300 0.052 0.000 0.864 684 R HN 0.384 nan 8.270 nan 0.000 0.440 685 N N 0.184 118.886 118.700 0.003 0.000 2.313 685 N HA -0.047 4.693 4.740 -0.000 0.000 0.207 685 N C 0.257 175.768 175.510 0.002 0.000 1.141 685 N CA 0.587 53.615 53.050 -0.037 0.000 0.830 685 N CB 0.560 38.971 38.487 -0.127 0.000 1.008 685 N HN 0.076 nan 8.380 nan 0.000 0.481 686 S N -1.526 114.223 115.700 0.082 0.000 2.578 686 S HA 0.059 4.529 4.470 -0.000 0.000 0.231 686 S C 0.648 175.375 174.600 0.212 0.000 0.994 686 S CA -0.336 57.969 58.200 0.175 0.000 0.956 686 S CB -0.534 62.833 63.200 0.278 0.000 0.870 686 S HN 0.347 nan 8.310 nan 0.000 0.494 687 T N -0.556 114.059 114.554 0.102 0.000 2.868 687 T HA 0.451 4.801 4.350 -0.000 0.000 0.292 687 T C 1.308 176.039 174.700 0.052 0.000 1.028 687 T CA -0.442 61.684 62.100 0.044 0.000 1.059 687 T CB 1.182 70.034 68.868 -0.027 0.000 0.991 687 T HN -0.041 nan 8.240 nan 0.000 0.531 688 V N 2.012 121.949 119.914 0.038 0.000 2.548 688 V HA -0.099 4.020 4.120 -0.000 0.000 0.249 688 V C 2.597 178.665 176.094 -0.043 0.000 1.055 688 V CA 1.451 63.753 62.300 0.004 0.000 1.065 688 V CB -0.945 30.869 31.823 -0.014 0.000 0.681 688 V HN 0.819 nan 8.190 nan 0.000 0.462 689 M N 1.236 120.795 119.600 -0.069 0.000 2.106 689 M HA -0.185 4.295 4.480 -0.000 0.000 0.259 689 M C 2.366 178.635 176.300 -0.053 0.000 1.068 689 M CA 2.253 57.499 55.300 -0.090 0.000 1.100 689 M CB -1.062 31.498 32.600 -0.067 0.000 1.351 689 M HN 0.517 nan 8.290 nan 0.000 0.404 690 S N -0.199 115.487 115.700 -0.024 0.000 2.493 690 S HA -0.113 4.357 4.470 -0.000 0.000 0.243 690 S C 1.640 176.243 174.600 0.004 0.000 0.991 690 S CA 0.850 59.044 58.200 -0.011 0.000 0.957 690 S CB -0.513 62.683 63.200 -0.007 0.000 0.756 690 S HN 0.566 nan 8.310 nan 0.000 0.521 691 R N 0.026 120.543 120.500 0.027 0.000 2.546 691 R HA 0.470 4.810 4.340 -0.000 0.000 0.320 691 R C 2.001 178.400 176.300 0.166 0.000 1.021 691 R CA 0.403 56.547 56.100 0.074 0.000 1.088 691 R CB -0.034 30.311 30.300 0.076 0.000 1.278 691 R HN 0.434 nan 8.270 nan 0.000 0.557 692 A N 1.587 124.443 122.820 0.061 0.000 1.903 692 A HA -0.282 4.037 4.320 -0.000 0.000 0.219 692 A C 1.994 179.650 177.584 0.119 0.000 1.191 692 A CA 1.861 53.898 52.037 0.001 0.000 0.638 692 A CB -0.242 18.689 19.000 -0.117 0.000 0.823 692 A HN 0.237 nan 8.150 nan 0.000 0.451 693 E N 0.349 120.595 120.200 0.077 0.000 2.097 693 E HA -0.202 4.148 4.350 -0.000 0.000 0.196 693 E C 1.705 178.363 176.600 0.097 0.000 1.000 693 E CA 1.864 58.307 56.400 0.071 0.000 0.804 693 E CB -0.505 29.220 29.700 0.041 0.000 0.740 693 E HN 0.800 nan 8.360 nan 0.000 0.454 694 N N -1.206 117.550 118.700 0.093 0.000 2.443 694 N HA -0.123 4.617 4.740 -0.000 0.000 0.184 694 N C 0.901 176.400 175.510 -0.018 0.000 1.037 694 N CA 0.327 53.386 53.050 0.015 0.000 0.896 694 N CB -0.146 38.303 38.487 -0.064 0.000 0.959 694 N HN 0.140 nan 8.380 nan 0.000 0.442 695 F N 1.521 121.426 119.950 -0.075 0.000 2.546 695 F HA -0.001 4.526 4.527 -0.000 0.000 0.298 695 F C 1.877 177.683 175.800 0.009 0.000 1.120 695 F CA 0.719 58.674 58.000 -0.074 0.000 1.456 695 F CB -0.037 38.867 39.000 -0.159 0.000 1.088 695 F HN -0.079 nan 8.300 nan 0.000 0.572 696 K N -0.052 120.448 120.400 0.167 0.000 2.280 696 K HA -0.184 4.136 4.320 -0.000 0.000 0.202 696 K C 1.492 178.152 176.600 0.100 0.000 1.047 696 K CA 1.084 57.450 56.287 0.133 0.000 0.942 696 K CB -0.240 32.317 32.500 0.096 0.000 0.739 696 K HN 0.408 nan 8.250 nan 0.000 0.457 697 Q N 0.355 120.191 119.800 0.062 0.000 2.403 697 Q HA 0.027 4.367 4.340 -0.000 0.000 0.203 697 Q C 0.268 176.303 176.000 0.058 0.000 0.932 697 Q CA 0.027 55.857 55.803 0.045 0.000 0.945 697 Q CB 0.584 29.330 28.738 0.013 0.000 1.045 697 Q HN 0.145 nan 8.270 nan 0.000 0.511 698 V N -3.865 116.099 119.914 0.083 0.000 3.181 698 V HA 0.468 4.588 4.120 -0.000 0.000 0.308 698 V C -1.287 174.941 176.094 0.223 0.000 1.214 698 V CA -1.319 61.055 62.300 0.123 0.000 1.053 698 V CB 2.317 34.179 31.823 0.065 0.000 1.069 698 V HN -0.076 nan 8.190 nan 0.000 0.441 699 E N 1.256 121.615 120.200 0.265 0.000 2.115 699 E HA 0.438 4.788 4.350 -0.000 0.000 0.282 699 E C -1.912 175.048 176.600 0.600 0.000 0.987 699 E CA -0.367 56.258 56.400 0.375 0.000 0.797 699 E CB 1.631 31.468 29.700 0.229 0.000 1.086 699 E HN 0.660 nan 8.360 nan 0.000 0.397 700 Y N 3.603 124.171 120.300 0.445 0.000 2.393 700 Y HA 0.427 4.977 4.550 -0.000 0.000 0.341 700 Y C -1.397 174.624 175.900 0.202 0.000 0.988 700 Y CA -1.208 57.113 58.100 0.369 0.000 1.078 700 Y CB 0.938 39.658 38.460 0.434 0.000 1.203 700 Y HN 0.422 nan 8.280 nan 0.000 0.453 701 L N 8.087 129.036 121.223 -0.457 0.000 2.342 701 L HA 0.478 4.818 4.340 -0.000 0.000 0.276 701 L C -1.677 174.749 176.870 -0.740 0.000 0.997 701 L CA -0.712 53.702 54.840 -0.711 0.000 0.838 701 L CB 1.049 42.371 42.059 -1.228 0.000 1.224 701 L HN 0.659 nan 8.230 nan 0.000 0.416 702 L N 6.183 127.055 121.223 -0.585 0.000 2.296 702 L HA 0.581 4.921 4.340 -0.000 0.000 0.286 702 L C -0.791 175.971 176.870 -0.182 0.000 1.023 702 L CA -0.461 54.130 54.840 -0.416 0.000 0.812 702 L CB 1.616 43.522 42.059 -0.254 0.000 1.223 702 L HN 0.595 nan 8.230 nan 0.000 0.421 703 I N 3.759 124.244 120.570 -0.143 0.000 2.608 703 I HA 0.504 4.674 4.170 -0.000 0.000 0.295 703 I C -0.891 175.240 176.117 0.023 0.000 1.049 703 I CA -0.759 60.508 61.300 -0.055 0.000 1.063 703 I CB 2.092 40.019 38.000 -0.122 0.000 1.248 703 I HN 0.518 nan 8.210 nan 0.000 0.424 704 H N 2.572 121.711 119.070 0.115 0.000 3.123 704 H HA 0.356 4.912 4.556 -0.000 0.000 0.346 704 H C -0.862 174.680 175.328 0.358 0.000 1.138 704 H CA -0.590 55.577 56.048 0.198 0.000 1.273 704 H CB 2.402 32.265 29.762 0.169 0.000 1.926 704 H HN 0.761 nan 8.280 nan 0.000 0.524 705 G N 1.254 110.380 108.800 0.542 0.000 2.370 705 G HA2 0.230 4.189 3.960 -0.000 0.000 0.272 705 G HA3 0.230 4.189 3.960 -0.000 0.000 0.272 705 G C 1.115 176.264 174.900 0.414 0.000 1.208 705 G CA 0.191 45.556 45.100 0.441 0.000 0.856 705 G HN 0.647 nan 8.290 nan 0.000 0.500 706 T N -0.459 114.189 114.554 0.157 0.000 3.007 706 T HA 0.036 4.385 4.350 -0.000 0.000 0.270 706 T C 1.714 176.345 174.700 -0.115 0.000 1.107 706 T CA 1.266 63.260 62.100 -0.178 0.000 1.118 706 T CB 0.162 68.835 68.868 -0.325 0.000 0.889 706 T HN 0.654 nan 8.240 nan 0.000 0.506 707 A N 0.859 123.692 122.820 0.021 0.000 2.545 707 A HA 0.288 4.608 4.320 -0.000 0.000 0.277 707 A C 0.482 177.977 177.584 -0.149 0.000 1.301 707 A CA -0.501 51.499 52.037 -0.062 0.000 0.935 707 A CB -0.199 19.035 19.000 0.391 0.000 1.093 707 A HN 0.392 nan 8.150 nan 0.000 0.519 708 D N 1.555 121.923 120.400 -0.055 0.000 2.346 708 D HA -0.017 4.623 4.640 -0.000 0.000 0.260 708 D C 0.270 176.528 176.300 -0.071 0.000 1.252 708 D CA 0.207 54.281 54.000 0.124 0.000 0.895 708 D CB 0.716 41.759 40.800 0.404 0.000 1.097 708 D HN 0.550 nan 8.370 nan 0.000 0.489 709 D N 2.545 122.960 120.400 0.024 0.000 2.347 709 D HA -0.137 4.503 4.640 -0.000 0.000 0.213 709 D C 0.943 177.220 176.300 -0.039 0.000 0.985 709 D CA -0.005 53.954 54.000 -0.069 0.000 0.879 709 D CB 0.400 41.109 40.800 -0.151 0.000 0.919 709 D HN 0.248 nan 8.370 nan 0.000 0.526 710 N N 0.814 119.587 118.700 0.122 0.000 2.335 710 N HA -0.046 4.694 4.740 -0.000 0.000 0.197 710 N C -0.032 175.440 175.510 -0.063 0.000 1.045 710 N CA 0.511 53.644 53.050 0.139 0.000 0.928 710 N CB 0.537 39.023 38.487 -0.001 0.000 1.118 710 N HN -0.102 nan 8.380 nan 0.000 0.471 711 V N 3.265 123.144 119.914 -0.057 0.000 2.270 711 V HA 0.206 4.326 4.120 -0.000 0.000 0.263 711 V C -0.454 175.733 176.094 0.156 0.000 1.066 711 V CA -0.420 61.907 62.300 0.046 0.000 0.857 711 V CB -0.540 31.341 31.823 0.096 0.000 1.099 711 V HN 0.282 nan 8.190 nan 0.000 0.476 712 H N 3.036 122.069 119.070 -0.062 0.000 3.038 712 H HA -0.068 4.488 4.556 -0.000 0.000 0.338 712 H C 0.875 176.049 175.328 -0.256 0.000 1.041 712 H CA -0.019 55.918 56.048 -0.185 0.000 1.394 712 H CB 0.773 30.335 29.762 -0.333 0.000 1.357 712 H HN 0.614 nan 8.280 nan 0.000 0.600 713 F N 2.130 121.857 119.950 -0.371 0.000 2.192 713 F HA -0.301 4.226 4.527 -0.000 0.000 0.301 713 F C 2.575 178.088 175.800 -0.478 0.000 1.079 713 F CA 1.795 59.367 58.000 -0.715 0.000 1.303 713 F CB -0.231 38.530 39.000 -0.399 0.000 1.024 713 F HN 0.661 nan 8.300 nan 0.000 0.494 714 Q N 0.202 119.841 119.800 -0.268 0.000 2.118 714 Q HA -0.327 4.013 4.340 -0.000 0.000 0.211 714 Q C 2.141 177.867 176.000 -0.456 0.000 0.998 714 Q CA 2.408 57.999 55.803 -0.354 0.000 0.872 714 Q CB -0.411 28.093 28.738 -0.390 0.000 0.925 714 Q HN 0.570 nan 8.270 nan 0.000 0.414 715 Q N -0.269 119.306 119.800 -0.374 0.000 2.096 715 Q HA -0.165 4.175 4.340 -0.000 0.000 0.208 715 Q C 2.263 178.145 176.000 -0.198 0.000 0.993 715 Q CA 1.940 57.638 55.803 -0.175 0.000 0.862 715 Q CB -0.213 28.507 28.738 -0.030 0.000 0.915 715 Q HN 0.355 nan 8.270 nan 0.000 0.416 716 S N 0.279 115.756 115.700 -0.372 0.000 2.414 716 S HA 0.029 4.499 4.470 -0.000 0.000 0.227 716 S C 1.979 176.325 174.600 -0.424 0.000 1.022 716 S CA 0.642 58.638 58.200 -0.340 0.000 0.958 716 S CB -0.026 62.974 63.200 -0.334 0.000 0.797 716 S HN 0.468 nan 8.310 nan 0.000 0.493 717 A N 1.463 123.906 122.820 -0.627 0.000 1.902 717 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 717 A C 2.133 179.601 177.584 -0.193 0.000 1.181 717 A CA 1.103 52.904 52.037 -0.393 0.000 0.623 717 A CB -0.442 18.371 19.000 -0.312 0.000 0.818 717 A HN 0.339 nan 8.150 nan 0.000 0.443 718 Q N -0.986 118.705 119.800 -0.182 0.000 2.167 718 Q HA -0.105 4.235 4.340 -0.000 0.000 0.202 718 Q C 2.087 178.048 176.000 -0.066 0.000 0.970 718 Q CA 1.255 57.015 55.803 -0.071 0.000 0.855 718 Q CB -0.494 28.262 28.738 0.028 0.000 0.911 718 Q HN 0.606 nan 8.270 nan 0.000 0.438 719 L N 1.063 122.225 121.223 -0.102 0.000 2.027 719 L HA -0.133 4.207 4.340 -0.000 0.000 0.206 719 L C 2.325 179.064 176.870 -0.218 0.000 1.074 719 L CA 2.360 57.110 54.840 -0.149 0.000 0.745 719 L CB -0.991 40.987 42.059 -0.134 0.000 0.898 719 L HN 0.205 nan 8.230 nan 0.000 0.433 720 S N -0.816 114.789 115.700 -0.157 0.000 2.382 720 S HA -0.280 4.189 4.470 -0.000 0.000 0.228 720 S C 2.135 176.717 174.600 -0.029 0.000 1.027 720 S CA 1.363 59.502 58.200 -0.101 0.000 0.991 720 S CB -0.698 62.616 63.200 0.191 0.000 0.823 720 S HN 0.576 nan 8.310 nan 0.000 0.469 721 K N 1.668 122.053 120.400 -0.025 0.000 2.147 721 K HA 0.065 4.385 4.320 -0.000 0.000 0.205 721 K C 2.186 178.764 176.600 -0.035 0.000 1.049 721 K CA 1.082 57.367 56.287 -0.002 0.000 0.936 721 K CB -0.611 31.884 32.500 -0.008 0.000 0.722 721 K HN 0.458 nan 8.250 nan 0.000 0.446 722 A N 0.834 123.600 122.820 -0.091 0.000 1.968 722 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 722 A C 2.005 179.502 177.584 -0.145 0.000 1.169 722 A CA 0.974 52.948 52.037 -0.105 0.000 0.638 722 A CB -0.403 18.522 19.000 -0.125 0.000 0.812 722 A HN 0.303 nan 8.150 nan 0.000 0.446 723 L N -0.829 120.241 121.223 -0.255 0.000 2.109 723 L HA -0.097 4.243 4.340 -0.000 0.000 0.207 723 L C 2.448 179.285 176.870 -0.054 0.000 1.086 723 L CA 0.667 55.319 54.840 -0.314 0.000 0.760 723 L CB -0.485 41.074 42.059 -0.833 0.000 0.910 723 L HN 0.214 nan 8.230 nan 0.000 0.437 724 V N -0.087 119.861 119.914 0.057 0.000 2.358 724 V HA -0.269 3.850 4.120 -0.000 0.000 0.246 724 V C 2.015 178.151 176.094 0.070 0.000 1.047 724 V CA 1.823 64.212 62.300 0.148 0.000 1.035 724 V CB -0.453 31.464 31.823 0.157 0.000 0.658 724 V HN 0.430 nan 8.190 nan 0.000 0.452 725 D N 0.469 120.886 120.400 0.028 0.000 2.219 725 D HA -0.070 4.570 4.640 -0.000 0.000 0.205 725 D C 1.980 178.289 176.300 0.015 0.000 0.970 725 D CA 1.456 55.467 54.000 0.018 0.000 0.851 725 D CB -0.124 40.678 40.800 0.003 0.000 0.943 725 D HN 0.481 nan 8.370 nan 0.000 0.488 726 A N -0.234 122.590 122.820 0.006 0.000 2.218 726 A HA 0.403 4.723 4.320 -0.000 0.000 0.209 726 A C 1.705 179.312 177.584 0.037 0.000 1.168 726 A CA 0.925 52.968 52.037 0.011 0.000 0.804 726 A CB -0.145 18.848 19.000 -0.011 0.000 0.834 726 A HN 0.215 nan 8.150 nan 0.000 0.482 727 G N -1.037 107.797 108.800 0.057 0.000 2.160 727 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.244 727 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.244 727 G C 0.031 174.995 174.900 0.106 0.000 1.022 727 G CA 0.190 45.336 45.100 0.077 0.000 0.741 727 G HN 0.777 nan 8.290 nan 0.000 0.508 728 V N 0.473 120.463 119.914 0.128 0.000 2.465 728 V HA 0.498 4.618 4.120 -0.000 0.000 0.279 728 V C 0.356 176.651 176.094 0.335 0.000 1.045 728 V CA -0.466 61.941 62.300 0.179 0.000 0.938 728 V CB 1.772 33.659 31.823 0.107 0.000 0.986 728 V HN 0.384 nan 8.190 nan 0.000 0.467 729 D N 4.062 124.647 120.400 0.308 0.000 2.210 729 D HA 0.625 5.265 4.640 -0.000 0.000 0.249 729 D C -0.707 175.881 176.300 0.478 0.000 1.078 729 D CA 0.036 54.229 54.000 0.322 0.000 0.875 729 D CB 0.866 41.768 40.800 0.169 0.000 1.175 729 D HN 0.330 nan 8.370 nan 0.000 0.440 730 F N -0.173 119.860 119.950 0.139 0.000 2.741 730 F HA 0.467 4.994 4.527 -0.000 0.000 0.313 730 F C -1.052 174.813 175.800 0.108 0.000 1.153 730 F CA -1.112 56.996 58.000 0.181 0.000 0.931 730 F CB 0.671 39.818 39.000 0.245 0.000 1.335 730 F HN 0.184 nan 8.300 nan 0.000 0.460 731 Q N 0.477 120.313 119.800 0.060 0.000 2.215 731 Q HA 0.734 5.074 4.340 -0.000 0.000 0.256 731 Q C -1.076 174.843 176.000 -0.135 0.000 0.972 731 Q CA -0.926 54.819 55.803 -0.098 0.000 0.889 731 Q CB 2.291 31.043 28.738 0.024 0.000 1.281 731 Q HN 0.832 nan 8.270 nan 0.000 0.456 732 T N 1.094 115.553 114.554 -0.157 0.000 2.883 732 T HA 0.684 5.034 4.350 -0.000 0.000 0.296 732 T C -1.672 172.936 174.700 -0.154 0.000 1.117 732 T CA -0.588 61.450 62.100 -0.104 0.000 1.006 732 T CB 1.247 70.081 68.868 -0.056 0.000 1.191 732 T HN 0.504 nan 8.240 nan 0.000 0.508 733 M N 3.189 122.697 119.600 -0.154 0.000 2.331 733 M HA 0.456 4.935 4.480 -0.000 0.000 0.228 733 M C -2.239 173.909 176.300 -0.254 0.000 0.986 733 M CA -0.535 54.540 55.300 -0.376 0.000 0.972 733 M CB 0.847 33.170 32.600 -0.462 0.000 2.359 733 M HN 0.701 nan 8.290 nan 0.000 0.459 734 W N 4.469 125.600 121.300 -0.280 0.000 2.448 734 W HA 0.781 5.441 4.660 -0.000 0.000 0.339 734 W C -1.978 174.272 176.519 -0.449 0.000 1.124 734 W CA -0.838 56.416 57.345 -0.152 0.000 1.262 734 W CB 0.369 29.784 29.460 -0.076 0.000 1.251 734 W HN 0.604 nan 8.180 nan 0.000 0.597 735 Y N 2.316 122.763 120.300 0.245 0.000 2.426 735 Y HA 0.287 4.837 4.550 -0.000 0.000 0.325 735 Y C 0.385 176.394 175.900 0.180 0.000 0.989 735 Y CA -1.215 56.945 58.100 0.100 0.000 1.284 735 Y CB 1.251 39.723 38.460 0.021 0.000 1.104 735 Y HN 0.437 nan 8.280 nan 0.000 0.481 736 T N 4.533 119.264 114.554 0.295 0.000 2.822 736 T HA -0.035 4.315 4.350 -0.000 0.000 0.288 736 T C 0.225 174.990 174.700 0.108 0.000 0.991 736 T CA 0.666 62.856 62.100 0.150 0.000 1.176 736 T CB -0.102 68.790 68.868 0.040 0.000 0.951 736 T HN 0.692 nan 8.240 nan 0.000 0.526 737 D N 0.740 121.185 120.400 0.076 0.000 3.077 737 D HA -0.127 4.513 4.640 -0.000 0.000 0.217 737 D C 0.196 176.633 176.300 0.228 0.000 1.162 737 D CA 1.105 55.119 54.000 0.024 0.000 0.943 737 D CB -0.392 40.221 40.800 -0.312 0.000 1.122 737 D HN 0.589 nan 8.370 nan 0.000 0.413 738 E N 1.053 121.392 120.200 0.232 0.000 2.283 738 E HA 0.308 4.658 4.350 -0.000 0.000 0.278 738 E C 0.718 177.485 176.600 0.279 0.000 1.027 738 E CA -0.273 56.274 56.400 0.246 0.000 0.843 738 E CB 1.141 30.966 29.700 0.209 0.000 1.062 738 E HN 0.362 nan 8.360 nan 0.000 0.401 739 D N 0.017 120.595 120.400 0.298 0.000 2.430 739 D HA -0.030 4.610 4.640 -0.000 0.000 0.285 739 D C 1.155 177.669 176.300 0.355 0.000 1.210 739 D CA -0.155 54.044 54.000 0.331 0.000 1.080 739 D CB -0.011 41.016 40.800 0.378 0.000 1.134 739 D HN 0.404 nan 8.370 nan 0.000 0.562 740 H N -1.374 117.864 119.070 0.280 0.000 2.422 740 H HA 0.011 4.567 4.556 -0.000 0.000 0.298 740 H C 2.043 177.593 175.328 0.370 0.000 1.098 740 H CA 2.238 58.465 56.048 0.298 0.000 1.315 740 H CB -0.572 29.366 29.762 0.294 0.000 1.382 740 H HN 0.492 nan 8.280 nan 0.000 0.523 741 G N -0.064 108.878 108.800 0.237 0.000 2.430 741 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.216 741 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.216 741 G C 0.693 175.780 174.900 0.311 0.000 1.146 741 G CA 0.441 45.631 45.100 0.151 0.000 0.793 741 G HN 0.547 nan 8.290 nan 0.000 0.537 742 I N -0.181 120.549 120.570 0.266 0.000 6.833 742 I HA -0.285 3.885 4.170 -0.000 0.000 0.126 742 I C 1.336 177.562 176.117 0.183 0.000 1.810 742 I CA 0.119 61.531 61.300 0.187 0.000 2.119 742 I CB -1.319 36.760 38.000 0.131 0.000 3.512 742 I HN 0.273 nan 8.210 nan 0.000 0.194 743 A N 1.044 123.948 122.820 0.141 0.000 2.430 743 A HA 0.348 4.668 4.320 -0.000 0.000 0.243 743 A C 1.118 178.740 177.584 0.063 0.000 1.254 743 A CA 0.563 52.650 52.037 0.083 0.000 0.914 743 A CB 0.133 19.149 19.000 0.028 0.000 0.998 743 A HN 0.648 nan 8.150 nan 0.000 0.515 744 S N -0.460 115.292 115.700 0.086 0.000 2.579 744 S HA 0.074 4.544 4.470 -0.000 0.000 0.275 744 S C 0.773 175.422 174.600 0.082 0.000 1.345 744 S CA 0.291 58.535 58.200 0.075 0.000 1.031 744 S CB 0.135 63.385 63.200 0.083 0.000 0.892 744 S HN 0.505 nan 8.310 nan 0.000 0.529 745 N N 1.082 119.818 118.700 0.061 0.000 2.061 745 N HA -0.155 4.584 4.740 -0.000 0.000 0.193 745 N C 1.609 177.180 175.510 0.101 0.000 1.030 745 N CA 1.708 54.803 53.050 0.075 0.000 0.856 745 N CB -0.275 38.235 38.487 0.038 0.000 1.023 745 N HN 0.516 nan 8.380 nan 0.000 0.424 746 M N 0.427 120.072 119.600 0.075 0.000 2.200 746 M HA 0.049 4.529 4.480 -0.000 0.000 0.265 746 M C 2.248 178.599 176.300 0.084 0.000 1.066 746 M CA 0.759 56.104 55.300 0.075 0.000 1.127 746 M CB -1.236 31.400 32.600 0.060 0.000 1.379 746 M HN 0.162 nan 8.290 nan 0.000 0.420 747 A N -0.975 121.876 122.820 0.052 0.000 1.897 747 A HA -0.191 4.129 4.320 -0.000 0.000 0.215 747 A C 2.069 179.600 177.584 -0.088 0.000 1.181 747 A CA 1.969 53.967 52.037 -0.065 0.000 0.620 747 A CB -1.027 17.907 19.000 -0.111 0.000 0.821 747 A HN 0.550 nan 8.150 nan 0.000 0.443 748 H N 0.069 119.112 119.070 -0.045 0.000 2.289 748 H HA -0.174 4.382 4.556 -0.000 0.000 0.296 748 H C 2.082 177.461 175.328 0.085 0.000 1.091 748 H CA 2.470 58.541 56.048 0.038 0.000 1.274 748 H CB -0.280 29.519 29.762 0.061 0.000 1.364 748 H HN 0.572 nan 8.280 nan 0.000 0.490 749 Q N -1.129 118.630 119.800 -0.069 0.000 2.119 749 Q HA -0.181 4.159 4.340 -0.000 0.000 0.201 749 Q C 2.253 178.211 176.000 -0.070 0.000 0.972 749 Q CA 1.287 57.018 55.803 -0.121 0.000 0.847 749 Q CB -0.185 28.535 28.738 -0.031 0.000 0.903 749 Q HN 0.637 nan 8.270 nan 0.000 0.433 750 H N 0.769 119.791 119.070 -0.079 0.000 2.357 750 H HA -0.065 4.491 4.556 -0.000 0.000 0.301 750 H C 2.020 177.324 175.328 -0.041 0.000 1.082 750 H CA 1.271 57.307 56.048 -0.020 0.000 1.342 750 H CB -0.018 29.786 29.762 0.071 0.000 1.389 750 H HN 0.276 nan 8.280 nan 0.000 0.511 751 I N 0.106 120.622 120.570 -0.089 0.000 2.226 751 I HA -0.325 3.845 4.170 -0.000 0.000 0.245 751 I C 1.782 177.663 176.117 -0.393 0.000 1.100 751 I CA 1.259 62.418 61.300 -0.235 0.000 1.374 751 I CB -0.269 37.388 38.000 -0.572 0.000 1.057 751 I HN 0.124 nan 8.210 nan 0.000 0.413 752 Y N 0.937 121.020 120.300 -0.361 0.000 2.352 752 Y HA -0.182 4.368 4.550 -0.000 0.000 0.292 752 Y C 2.701 178.377 175.900 -0.373 0.000 1.136 752 Y CA 1.706 59.475 58.100 -0.552 0.000 1.227 752 Y CB -0.876 37.283 38.460 -0.500 0.000 0.991 752 Y HN 0.169 nan 8.280 nan 0.000 0.545 753 T N -1.763 112.692 114.554 -0.165 0.000 2.812 753 T HA -0.205 4.145 4.350 -0.000 0.000 0.264 753 T C 1.577 176.067 174.700 -0.351 0.000 1.042 753 T CA 1.778 63.724 62.100 -0.256 0.000 1.140 753 T CB -0.424 68.290 68.868 -0.258 0.000 0.870 753 T HN 0.407 nan 8.240 nan 0.000 0.445 754 H N 0.958 119.843 119.070 -0.309 0.000 2.353 754 H HA 0.110 4.666 4.556 -0.000 0.000 0.300 754 H C 2.130 177.409 175.328 -0.082 0.000 1.090 754 H CA 1.543 57.494 56.048 -0.163 0.000 1.327 754 H CB -0.241 29.460 29.762 -0.102 0.000 1.383 754 H HN 0.244 nan 8.280 nan 0.000 0.508 755 M N -0.836 118.686 119.600 -0.130 0.000 2.296 755 M HA -0.132 4.348 4.480 -0.000 0.000 0.265 755 M C 2.308 178.699 176.300 0.152 0.000 1.064 755 M CA 1.240 56.475 55.300 -0.109 0.000 1.109 755 M CB 0.132 32.457 32.600 -0.457 0.000 1.396 755 M HN 0.199 nan 8.290 nan 0.000 0.430 756 S N -0.676 115.123 115.700 0.166 0.000 2.368 756 S HA -0.123 4.347 4.470 -0.000 0.000 0.224 756 S C 1.678 176.379 174.600 0.169 0.000 1.029 756 S CA 0.916 59.318 58.200 0.336 0.000 0.988 756 S CB -0.439 62.970 63.200 0.348 0.000 0.838 756 S HN 0.471 nan 8.310 nan 0.000 0.462 757 H N 0.085 119.208 119.070 0.089 0.000 2.357 757 H HA 0.006 4.562 4.556 -0.000 0.000 0.301 757 H C 1.932 177.257 175.328 -0.006 0.000 1.082 757 H CA 1.107 57.163 56.048 0.012 0.000 1.342 757 H CB -0.846 28.875 29.762 -0.068 0.000 1.389 757 H HN 0.430 nan 8.280 nan 0.000 0.511 758 F N 1.146 121.067 119.950 -0.048 0.000 2.069 758 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 758 F C 2.526 178.278 175.800 -0.080 0.000 1.113 758 F CA 1.061 59.008 58.000 -0.089 0.000 1.214 758 F CB -0.644 38.279 39.000 -0.128 0.000 0.978 758 F HN 0.012 nan 8.300 nan 0.000 0.474 759 L N 0.172 121.431 121.223 0.060 0.000 2.012 759 L HA -0.282 4.058 4.340 -0.000 0.000 0.210 759 L C 2.442 179.130 176.870 -0.304 0.000 1.073 759 L CA 1.892 56.608 54.840 -0.206 0.000 0.748 759 L CB -0.523 41.511 42.059 -0.042 0.000 0.891 759 L HN 0.173 nan 8.230 nan 0.000 0.431 760 K N -1.017 119.352 120.400 -0.051 0.000 2.148 760 K HA -0.178 4.142 4.320 -0.000 0.000 0.204 760 K C 2.124 178.715 176.600 -0.015 0.000 1.050 760 K CA 0.898 57.206 56.287 0.035 0.000 0.942 760 K CB -0.007 32.564 32.500 0.119 0.000 0.724 760 K HN 0.354 nan 8.250 nan 0.000 0.446 761 Q N 0.226 119.968 119.800 -0.098 0.000 2.046 761 Q HA -0.195 4.145 4.340 -0.000 0.000 0.200 761 Q C 2.445 178.345 176.000 -0.166 0.000 0.975 761 Q CA 1.356 57.083 55.803 -0.128 0.000 0.836 761 Q CB -0.557 28.072 28.738 -0.183 0.000 0.896 761 Q HN 0.418 nan 8.270 nan 0.000 0.428 762 c N 0.092 118.496 118.600 -0.327 0.000 2.425 762 c HA -0.094 4.476 4.570 -0.000 0.000 0.277 762 c C 2.128 176.214 174.090 -0.006 0.000 1.280 762 c CA 0.317 56.473 56.329 -0.287 0.000 1.744 762 c CB -1.029 41.164 42.510 -0.530 0.000 1.989 762 c HN 0.345 nan 8.230 nan 0.000 0.491 763 F N 1.689 121.609 119.950 -0.050 0.000 2.765 763 F HA 0.242 4.769 4.527 -0.000 0.000 0.302 763 F C 1.700 177.490 175.800 -0.017 0.000 1.111 763 F CA 0.468 58.459 58.000 -0.016 0.000 1.359 763 F CB -1.129 37.871 39.000 -0.000 0.000 1.097 763 F HN 0.224 nan 8.300 nan 0.000 0.577 764 S N 0.738 116.522 115.700 0.141 0.000 3.641 764 S HA -0.200 4.270 4.470 -0.000 0.000 0.346 764 S C 0.074 174.720 174.600 0.077 0.000 1.074 764 S CA 0.119 58.364 58.200 0.075 0.000 1.026 764 S CB -2.140 61.093 63.200 0.057 0.000 0.908 764 S HN 0.230 nan 8.310 nan 0.000 0.479 765 L N 2.053 123.338 121.223 0.104 0.000 2.289 765 L HA 0.478 4.818 4.340 -0.000 0.000 0.285 765 L C -0.932 175.980 176.870 0.071 0.000 1.049 765 L CA -1.845 53.050 54.840 0.091 0.000 0.804 765 L CB 0.394 42.530 42.059 0.129 0.000 1.195 765 L HN 0.074 nan 8.230 nan 0.000 0.428 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.130 63.100 0.049 0.000 0.800 766 P CB 0.000 31.721 31.700 0.035 0.000 0.726