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 2jid_1_B DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.643 174.600 0.072 0.000 1.055 39 S CA 0.000 58.240 58.200 0.066 0.000 1.107 39 S CB 0.000 63.226 63.200 0.043 0.000 0.593 40 R N 2.723 123.276 120.500 0.087 0.000 2.652 40 R HA 0.491 4.831 4.340 -0.000 0.000 0.271 40 R C 0.569 176.924 176.300 0.091 0.000 1.129 40 R CA -0.369 55.780 56.100 0.082 0.000 1.200 40 R CB 0.303 30.649 30.300 0.077 0.000 1.146 40 R HN 0.481 nan 8.270 nan 0.000 0.581 41 K N -0.840 119.618 120.400 0.096 0.000 2.202 41 K HA 0.223 4.543 4.320 -0.000 0.000 0.238 41 K C -0.149 176.526 176.600 0.125 0.000 1.070 41 K CA -0.478 55.876 56.287 0.111 0.000 0.859 41 K CB 0.452 33.026 32.500 0.124 0.000 1.140 41 K HN 0.392 nan 8.250 nan 0.000 0.515 42 T N -0.983 113.659 114.554 0.146 0.000 2.896 42 T HA 0.209 4.559 4.350 -0.000 0.000 0.297 42 T C -1.884 172.956 174.700 0.233 0.000 1.108 42 T CA -0.725 61.474 62.100 0.164 0.000 1.004 42 T CB 0.622 69.572 68.868 0.137 0.000 1.159 42 T HN 0.463 nan 8.240 nan 0.000 0.499 43 Y N 3.670 124.053 120.300 0.137 0.000 2.531 43 Y HA 0.408 4.958 4.550 -0.000 0.000 0.347 43 Y C 0.927 177.011 175.900 0.307 0.000 1.024 43 Y CA 0.045 58.273 58.100 0.213 0.000 1.306 43 Y CB 0.200 38.749 38.460 0.148 0.000 1.149 43 Y HN 0.710 nan 8.280 nan 0.000 0.527 44 T N 2.565 117.135 114.554 0.027 0.000 2.952 44 T HA 0.203 4.553 4.350 -0.000 0.000 0.286 44 T C 0.799 175.477 174.700 -0.038 0.000 1.024 44 T CA -0.931 61.276 62.100 0.179 0.000 1.029 44 T CB 1.505 70.422 68.868 0.083 0.000 1.094 44 T HN 0.622 nan 8.240 nan 0.000 0.515 45 L N 1.547 122.591 121.223 -0.298 0.000 2.012 45 L HA -0.043 4.297 4.340 -0.000 0.000 0.210 45 L C 2.643 179.399 176.870 -0.190 0.000 1.073 45 L CA 2.446 56.978 54.840 -0.513 0.000 0.748 45 L CB -1.581 40.075 42.059 -0.671 0.000 0.891 45 L HN 1.019 nan 8.230 nan 0.000 0.431 46 T N -0.798 113.666 114.554 -0.151 0.000 2.570 46 T HA -0.259 4.091 4.350 -0.000 0.000 0.266 46 T C 1.580 176.189 174.700 -0.153 0.000 1.071 46 T CA 1.625 63.651 62.100 -0.123 0.000 1.172 46 T CB -0.712 68.103 68.868 -0.088 0.000 0.864 46 T HN 0.381 nan 8.240 nan 0.000 0.421 47 D N 0.085 120.362 120.400 -0.204 0.000 2.157 47 D HA -0.150 4.490 4.640 -0.000 0.000 0.191 47 D C 1.786 177.950 176.300 -0.227 0.000 1.004 47 D CA 1.562 55.377 54.000 -0.309 0.000 0.854 47 D CB -0.485 40.020 40.800 -0.490 0.000 0.936 47 D HN 0.520 nan 8.370 nan 0.000 0.446 48 Y N 1.078 121.186 120.300 -0.321 0.000 2.133 48 Y HA -0.174 4.376 4.550 -0.000 0.000 0.287 48 Y C 2.115 177.999 175.900 -0.027 0.000 1.134 48 Y CA 1.043 59.119 58.100 -0.039 0.000 1.133 48 Y CB -0.509 38.008 38.460 0.095 0.000 0.987 48 Y HN -0.135 nan 8.280 nan 0.000 0.502 49 L N 0.837 121.877 121.223 -0.306 0.000 2.046 49 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 49 L C 2.006 178.750 176.870 -0.209 0.000 1.077 49 L CA 1.782 56.412 54.840 -0.350 0.000 0.747 49 L CB -1.059 40.868 42.059 -0.220 0.000 0.896 49 L HN 0.227 nan 8.230 nan 0.000 0.432 50 K N -0.801 119.504 120.400 -0.158 0.000 2.387 50 K HA 0.093 4.413 4.320 -0.000 0.000 0.198 50 K C 0.271 176.805 176.600 -0.109 0.000 1.022 50 K CA -0.121 56.097 56.287 -0.115 0.000 1.128 50 K CB 0.036 32.478 32.500 -0.098 0.000 0.853 50 K HN 0.259 nan 8.250 nan 0.000 0.523 51 N N 1.550 120.182 118.700 -0.113 0.000 2.740 51 N HA -0.191 4.549 4.740 -0.000 0.000 0.248 51 N C 0.111 175.580 175.510 -0.068 0.000 1.062 51 N CA 0.478 53.497 53.050 -0.052 0.000 0.704 51 N CB -0.554 37.910 38.487 -0.037 0.000 0.968 51 N HN 0.200 nan 8.380 nan 0.000 0.547 52 T N -0.663 113.783 114.554 -0.180 0.000 2.597 52 T HA -0.208 4.142 4.350 -0.000 0.000 0.267 52 T C 0.534 175.029 174.700 -0.342 0.000 1.053 52 T CA 1.575 63.454 62.100 -0.369 0.000 1.165 52 T CB -0.238 68.209 68.868 -0.701 0.000 0.863 52 T HN 0.376 nan 8.240 nan 0.000 0.427 53 Y N 1.753 122.133 120.300 0.134 0.000 2.425 53 Y HA 0.527 5.077 4.550 -0.000 0.000 0.347 53 Y C 0.628 176.627 175.900 0.165 0.000 0.976 53 Y CA -0.949 57.253 58.100 0.169 0.000 1.190 53 Y CB 0.253 38.863 38.460 0.250 0.000 1.136 53 Y HN -0.066 nan 8.280 nan 0.000 0.517 54 R N 2.854 123.486 120.500 0.219 0.000 2.474 54 R HA 0.540 4.880 4.340 -0.000 0.000 0.295 54 R C -1.034 175.370 176.300 0.173 0.000 0.980 54 R CA -0.822 55.376 56.100 0.163 0.000 0.934 54 R CB 0.928 31.285 30.300 0.095 0.000 1.101 54 R HN 0.694 nan 8.270 nan 0.000 0.469 55 L N 4.691 126.014 121.223 0.167 0.000 2.268 55 L HA 0.277 4.617 4.340 -0.000 0.000 0.289 55 L C 0.203 177.142 176.870 0.115 0.000 1.064 55 L CA -0.200 54.739 54.840 0.165 0.000 0.824 55 L CB 0.729 42.910 42.059 0.203 0.000 1.202 55 L HN 0.394 nan 8.230 nan 0.000 0.433 56 K N 4.246 124.697 120.400 0.084 0.000 2.295 56 K HA 0.492 4.812 4.320 -0.000 0.000 0.270 56 K C -0.547 176.033 176.600 -0.034 0.000 1.011 56 K CA -0.227 56.079 56.287 0.032 0.000 0.953 56 K CB 1.130 33.644 32.500 0.024 0.000 0.956 56 K HN 0.414 nan 8.250 nan 0.000 0.477 57 L N 1.329 122.483 121.223 -0.115 0.000 2.257 57 L HA 0.425 4.765 4.340 -0.000 0.000 0.257 57 L C -0.913 175.711 176.870 -0.409 0.000 1.033 57 L CA -1.021 53.631 54.840 -0.314 0.000 0.835 57 L CB 1.074 43.094 42.059 -0.064 0.000 1.398 57 L HN 0.519 nan 8.230 nan 0.000 0.429 58 Y N 0.346 120.174 120.300 -0.787 0.000 2.535 58 Y HA 0.326 4.876 4.550 -0.000 0.000 0.351 58 Y C -0.231 175.544 175.900 -0.209 0.000 1.050 58 Y CA -0.498 57.316 58.100 -0.477 0.000 1.168 58 Y CB 1.211 39.278 38.460 -0.655 0.000 1.116 58 Y HN 0.476 nan 8.280 nan 0.000 0.654 59 S N 5.654 121.323 115.700 -0.052 0.000 2.515 59 S HA 0.316 4.786 4.470 -0.000 0.000 0.285 59 S C -0.294 174.269 174.600 -0.062 0.000 1.265 59 S CA 0.029 58.230 58.200 0.002 0.000 1.079 59 S CB -0.270 62.949 63.200 0.032 0.000 0.877 59 S HN 0.559 nan 8.310 nan 0.000 0.493 60 L N 2.038 123.185 121.223 -0.128 0.000 2.327 60 L HA 0.759 5.099 4.340 -0.000 0.000 0.258 60 L C -0.897 175.861 176.870 -0.186 0.000 1.024 60 L CA -1.158 53.532 54.840 -0.251 0.000 0.825 60 L CB 1.750 43.335 42.059 -0.790 0.000 1.386 60 L HN 0.504 nan 8.230 nan 0.000 0.417 61 R N 0.811 121.235 120.500 -0.127 0.000 2.422 61 R HA 0.388 4.727 4.340 -0.000 0.000 0.307 61 R C -1.612 174.708 176.300 0.033 0.000 1.004 61 R CA -0.422 55.675 56.100 -0.006 0.000 0.882 61 R CB 0.975 31.330 30.300 0.092 0.000 1.164 61 R HN 0.617 nan 8.270 nan 0.000 0.489 62 W N 3.327 124.718 121.300 0.152 0.000 2.385 62 W HA -0.042 4.618 4.660 -0.000 0.000 0.336 62 W C 0.982 177.583 176.519 0.138 0.000 1.351 62 W CA -0.307 57.149 57.345 0.184 0.000 1.295 62 W CB 0.204 29.770 29.460 0.176 0.000 1.239 62 W HN 0.520 nan 8.180 nan 0.000 0.565 63 I N 2.178 122.966 120.570 0.363 0.000 3.265 63 I HA -0.044 4.126 4.170 -0.000 0.000 0.282 63 I C 1.265 177.487 176.117 0.175 0.000 1.207 63 I CA 0.777 62.188 61.300 0.184 0.000 1.449 63 I CB -0.541 37.499 38.000 0.067 0.000 1.121 63 I HN 0.401 nan 8.210 nan 0.000 0.442 64 S N -0.809 115.025 115.700 0.224 0.000 3.341 64 S HA 0.266 4.736 4.470 -0.000 0.000 0.326 64 S C 0.214 174.946 174.600 0.220 0.000 1.178 64 S CA -0.019 58.286 58.200 0.177 0.000 1.002 64 S CB 0.621 63.877 63.200 0.094 0.000 1.385 64 S HN 0.107 nan 8.310 nan 0.000 0.710 65 D N 0.025 120.563 120.400 0.230 0.000 2.350 65 D HA 0.076 4.716 4.640 -0.000 0.000 0.213 65 D C 1.034 177.547 176.300 0.354 0.000 1.031 65 D CA 1.235 55.367 54.000 0.219 0.000 0.861 65 D CB -0.682 40.246 40.800 0.213 0.000 0.926 65 D HN 0.908 nan 8.370 nan 0.000 0.520 66 H N -2.135 117.084 119.070 0.248 0.000 3.457 66 H HA 0.447 5.003 4.556 -0.000 0.000 0.255 66 H C -0.061 175.394 175.328 0.213 0.000 1.082 66 H CA -0.474 55.689 56.048 0.192 0.000 1.189 66 H CB 0.382 30.245 29.762 0.169 0.000 1.511 66 H HN -0.050 nan 8.280 nan 0.000 0.527 67 E N 0.592 120.767 120.200 -0.041 0.000 2.320 67 E HA 0.395 4.745 4.350 -0.000 0.000 0.264 67 E C -1.611 175.138 176.600 0.249 0.000 0.923 67 E CA -1.453 54.937 56.400 -0.017 0.000 0.796 67 E CB 2.507 32.069 29.700 -0.230 0.000 1.262 67 E HN 0.342 nan 8.360 nan 0.000 0.428 68 Y N -1.296 119.020 120.300 0.026 0.000 2.609 68 Y HA 0.542 5.092 4.550 -0.000 0.000 0.336 68 Y C -1.941 173.951 175.900 -0.014 0.000 1.129 68 Y CA -1.334 56.703 58.100 -0.105 0.000 1.040 68 Y CB 0.599 38.679 38.460 -0.633 0.000 1.310 68 Y HN 0.370 nan 8.280 nan 0.000 0.460 69 L N 3.073 124.471 121.223 0.292 0.000 2.379 69 L HA 0.554 4.894 4.340 -0.000 0.000 0.269 69 L C -1.261 175.862 176.870 0.420 0.000 1.084 69 L CA -0.985 53.995 54.840 0.233 0.000 0.802 69 L CB 1.523 43.612 42.059 0.049 0.000 1.175 69 L HN 0.803 nan 8.230 nan 0.000 0.448 70 Y N 2.054 122.465 120.300 0.185 0.000 2.424 70 Y HA 0.256 4.806 4.550 -0.000 0.000 0.323 70 Y C -1.229 174.700 175.900 0.049 0.000 1.174 70 Y CA -1.679 56.486 58.100 0.108 0.000 1.060 70 Y CB 1.333 39.933 38.460 0.234 0.000 1.314 70 Y HN 0.532 nan 8.280 nan 0.000 0.439 71 K N 4.785 124.785 120.400 -0.666 0.000 2.211 71 K HA 0.552 4.872 4.320 -0.000 0.000 0.275 71 K C -1.073 174.941 176.600 -0.977 0.000 1.024 71 K CA -0.816 55.101 56.287 -0.617 0.000 0.887 71 K CB 2.076 34.374 32.500 -0.337 0.000 1.084 71 K HN 0.687 nan 8.250 nan 0.000 0.463 72 Q N 2.734 122.217 119.800 -0.528 0.000 2.292 72 Q HA 0.097 4.437 4.340 -0.000 0.000 0.270 72 Q C -1.136 174.773 176.000 -0.152 0.000 1.024 72 Q CA -0.338 55.276 55.803 -0.315 0.000 0.768 72 Q CB 1.408 30.116 28.738 -0.050 0.000 1.250 72 Q HN 0.801 nan 8.270 nan 0.000 0.447 73 E N 3.070 123.203 120.200 -0.111 0.000 2.202 73 E HA -0.350 4.000 4.350 -0.000 0.000 0.214 73 E C -0.343 176.200 176.600 -0.096 0.000 1.303 73 E CA 0.758 57.111 56.400 -0.078 0.000 0.714 73 E CB -0.932 28.741 29.700 -0.046 0.000 1.130 73 E HN 0.854 nan 8.360 nan 0.000 0.356 74 N N -1.615 117.008 118.700 -0.128 0.000 2.936 74 N HA -0.174 4.566 4.740 -0.000 0.000 0.236 74 N C -0.650 174.777 175.510 -0.138 0.000 0.930 74 N CA 1.355 54.333 53.050 -0.121 0.000 0.966 74 N CB -0.759 37.680 38.487 -0.081 0.000 1.090 74 N HN 0.406 nan 8.380 nan 0.000 0.592 75 N N 0.773 119.386 118.700 -0.144 0.000 2.503 75 N HA 0.263 5.003 4.740 -0.000 0.000 0.267 75 N C 0.265 175.667 175.510 -0.179 0.000 1.214 75 N CA 0.144 53.108 53.050 -0.143 0.000 0.959 75 N CB 0.773 39.190 38.487 -0.115 0.000 1.142 75 N HN 0.239 nan 8.380 nan 0.000 0.455 76 I N 2.271 122.744 120.570 -0.163 0.000 2.312 76 I HA 0.246 4.416 4.170 -0.000 0.000 0.290 76 I C 0.001 176.092 176.117 -0.044 0.000 1.008 76 I CA -0.416 60.782 61.300 -0.171 0.000 1.226 76 I CB 0.711 38.545 38.000 -0.277 0.000 1.371 76 I HN 0.152 nan 8.210 nan 0.000 0.468 77 L N 6.700 127.902 121.223 -0.034 0.000 2.331 77 L HA 0.614 4.954 4.340 -0.000 0.000 0.275 77 L C -0.478 176.380 176.870 -0.020 0.000 1.022 77 L CA -1.112 53.695 54.840 -0.055 0.000 0.812 77 L CB 2.042 44.005 42.059 -0.159 0.000 1.257 77 L HN 0.227 nan 8.230 nan 0.000 0.435 78 V N 1.632 121.485 119.914 -0.102 0.000 2.398 78 V HA 0.412 4.532 4.120 -0.000 0.000 0.286 78 V C -0.404 175.510 176.094 -0.301 0.000 1.026 78 V CA -0.433 61.805 62.300 -0.104 0.000 0.868 78 V CB 1.306 33.111 31.823 -0.029 0.000 0.982 78 V HN 0.357 nan 8.190 nan 0.000 0.443 79 F N 2.297 122.004 119.950 -0.405 0.000 2.470 79 F HA 0.443 4.970 4.527 -0.000 0.000 0.329 79 F C 0.679 176.212 175.800 -0.445 0.000 1.072 79 F CA -0.615 57.078 58.000 -0.510 0.000 0.989 79 F CB 1.264 39.707 39.000 -0.928 0.000 1.193 79 F HN 0.404 nan 8.300 nan 0.000 0.481 80 N N 1.198 119.868 118.700 -0.049 0.000 2.422 80 N HA 0.292 5.032 4.740 -0.000 0.000 0.266 80 N C 0.396 175.881 175.510 -0.042 0.000 1.007 80 N CA 0.071 53.123 53.050 0.003 0.000 0.941 80 N CB 1.826 40.384 38.487 0.118 0.000 1.115 80 N HN 0.798 nan 8.380 nan 0.000 0.492 81 A N 3.222 125.971 122.820 -0.119 0.000 2.015 81 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 81 A C 1.836 179.218 177.584 -0.337 0.000 1.163 81 A CA 1.200 53.106 52.037 -0.220 0.000 0.646 81 A CB -0.167 18.575 19.000 -0.430 0.000 0.806 81 A HN 0.729 nan 8.150 nan 0.000 0.448 82 E N -0.956 119.038 120.200 -0.344 0.000 2.051 82 E HA -0.075 4.275 4.350 -0.000 0.000 0.189 82 E C 0.853 177.126 176.600 -0.545 0.000 0.979 82 E CA 1.386 57.535 56.400 -0.418 0.000 0.803 82 E CB -0.273 29.200 29.700 -0.378 0.000 0.761 82 E HN 0.676 nan 8.360 nan 0.000 0.451 83 Y N -1.886 118.421 120.300 0.013 0.000 2.500 83 Y HA 0.395 4.945 4.550 -0.000 0.000 0.246 83 Y C 1.391 177.304 175.900 0.020 0.000 1.146 83 Y CA 0.203 58.315 58.100 0.020 0.000 1.230 83 Y CB 1.333 39.806 38.460 0.022 0.000 1.214 83 Y HN 0.195 nan 8.280 nan 0.000 0.526 84 G N 0.849 109.724 108.800 0.124 0.000 2.225 84 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.254 84 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.254 84 G C 0.146 175.153 174.900 0.178 0.000 0.988 84 G CA 0.181 45.356 45.100 0.125 0.000 0.625 84 G HN 0.431 nan 8.290 nan 0.000 0.527 85 N N 0.940 119.717 118.700 0.128 0.000 2.530 85 N HA 0.497 5.237 4.740 -0.000 0.000 0.273 85 N C -0.191 175.275 175.510 -0.073 0.000 1.173 85 N CA 0.696 53.773 53.050 0.045 0.000 0.967 85 N CB 1.419 39.925 38.487 0.031 0.000 1.109 85 N HN 0.663 nan 8.380 nan 0.000 0.453 86 S N 0.459 116.031 115.700 -0.214 0.000 2.526 86 S HA 0.650 5.119 4.470 -0.000 0.000 0.293 86 S C -0.727 173.687 174.600 -0.311 0.000 1.092 86 S CA -0.906 56.998 58.200 -0.492 0.000 0.980 86 S CB 1.448 63.957 63.200 -1.152 0.000 1.048 86 S HN 0.619 nan 8.310 nan 0.000 0.483 87 S N 0.794 116.328 115.700 -0.277 0.000 2.566 87 S HA 0.581 5.051 4.470 -0.000 0.000 0.298 87 S C -0.673 173.841 174.600 -0.143 0.000 1.083 87 S CA -0.816 57.285 58.200 -0.164 0.000 0.978 87 S CB 1.771 64.913 63.200 -0.097 0.000 1.073 87 S HN 0.774 nan 8.310 nan 0.000 0.491 88 V N 3.475 123.324 119.914 -0.110 0.000 2.405 88 V HA 0.279 4.398 4.120 -0.000 0.000 0.264 88 V C 0.170 176.236 176.094 -0.047 0.000 1.048 88 V CA -0.049 62.199 62.300 -0.086 0.000 0.966 88 V CB -0.048 31.715 31.823 -0.101 0.000 1.015 88 V HN 0.929 nan 8.190 nan 0.000 0.477 89 F N 6.357 126.224 119.950 -0.139 0.000 2.179 89 F HA 0.325 4.852 4.527 -0.000 0.000 0.292 89 F C 0.672 176.402 175.800 -0.117 0.000 1.089 89 F CA 0.915 58.846 58.000 -0.115 0.000 1.295 89 F CB 0.526 39.464 39.000 -0.103 0.000 1.041 89 F HN 0.318 nan 8.300 nan 0.000 0.487 90 L N 2.128 123.383 121.223 0.053 0.000 2.446 90 L HA 0.296 4.636 4.340 -0.000 0.000 0.268 90 L C -1.214 175.575 176.870 -0.136 0.000 0.975 90 L CA -0.606 54.192 54.840 -0.070 0.000 0.848 90 L CB 1.404 43.461 42.059 -0.003 0.000 1.225 90 L HN 0.106 nan 8.230 nan 0.000 0.410 91 E N 2.750 122.841 120.200 -0.181 0.000 2.392 91 E HA 0.023 4.373 4.350 -0.000 0.000 0.264 91 E C 1.079 177.564 176.600 -0.192 0.000 1.024 91 E CA -0.270 56.026 56.400 -0.174 0.000 0.903 91 E CB 0.388 29.985 29.700 -0.172 0.000 0.963 91 E HN 0.551 nan 8.360 nan 0.000 0.432 92 N N 2.123 120.735 118.700 -0.147 0.000 2.272 92 N HA -0.213 4.527 4.740 -0.000 0.000 0.185 92 N C 1.014 176.444 175.510 -0.134 0.000 1.014 92 N CA 1.368 54.341 53.050 -0.127 0.000 0.870 92 N CB -0.339 38.090 38.487 -0.097 0.000 0.975 92 N HN 0.312 nan 8.380 nan 0.000 0.433 93 S N 0.255 115.865 115.700 -0.149 0.000 2.349 93 S HA -0.064 4.406 4.470 -0.000 0.000 0.216 93 S C 0.306 174.781 174.600 -0.208 0.000 1.033 93 S CA 1.263 59.376 58.200 -0.146 0.000 1.021 93 S CB -0.872 62.248 63.200 -0.133 0.000 0.968 93 S HN 0.648 nan 8.310 nan 0.000 0.426 94 T N 2.562 116.907 114.554 -0.348 0.000 2.860 94 T HA -0.121 4.229 4.350 -0.000 0.000 0.295 94 T C 0.153 174.492 174.700 -0.603 0.000 1.041 94 T CA 0.555 62.263 62.100 -0.653 0.000 1.132 94 T CB -0.552 67.637 68.868 -1.131 0.000 1.072 94 T HN 0.325 nan 8.240 nan 0.000 0.504 95 F N -0.515 119.328 119.950 -0.179 0.000 3.067 95 F HA -0.185 4.342 4.527 -0.000 0.000 0.279 95 F C 0.994 176.767 175.800 -0.046 0.000 0.945 95 F CA 0.107 58.029 58.000 -0.129 0.000 0.948 95 F CB -2.510 36.293 39.000 -0.329 0.000 0.898 95 F HN 0.676 nan 8.300 nan 0.000 0.746 96 D N 0.329 120.770 120.400 0.068 0.000 2.347 96 D HA -0.045 4.595 4.640 -0.000 0.000 0.213 96 D C 1.438 177.785 176.300 0.079 0.000 0.985 96 D CA 0.769 54.800 54.000 0.052 0.000 0.879 96 D CB 0.192 40.990 40.800 -0.003 0.000 0.919 96 D HN 0.647 nan 8.370 nan 0.000 0.526 97 E N -0.465 119.811 120.200 0.126 0.000 3.157 97 E HA 0.008 4.358 4.350 -0.000 0.000 0.203 97 E C 0.246 176.947 176.600 0.169 0.000 0.982 97 E CA -0.296 56.164 56.400 0.101 0.000 1.217 97 E CB 0.233 29.973 29.700 0.067 0.000 1.123 97 E HN -0.008 nan 8.360 nan 0.000 0.457 98 F N -0.076 119.881 119.950 0.011 0.000 2.664 98 F HA 0.230 4.757 4.527 -0.000 0.000 0.296 98 F C 1.609 177.322 175.800 -0.146 0.000 1.125 98 F CA 1.491 59.471 58.000 -0.034 0.000 1.444 98 F CB 0.526 39.498 39.000 -0.047 0.000 1.114 98 F HN 0.290 nan 8.300 nan 0.000 0.576 99 G N -0.251 108.423 108.800 -0.209 0.000 2.363 99 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.238 99 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.238 99 G C 0.090 174.605 174.900 -0.642 0.000 1.062 99 G CA 0.484 45.301 45.100 -0.472 0.000 0.629 99 G HN 0.550 nan 8.290 nan 0.000 0.514 100 H N 0.263 119.200 119.070 -0.222 0.000 2.524 100 H HA 0.683 5.239 4.556 -0.000 0.000 0.353 100 H C 0.259 175.660 175.328 0.121 0.000 1.136 100 H CA 0.064 56.068 56.048 -0.074 0.000 1.193 100 H CB 1.806 31.437 29.762 -0.218 0.000 1.558 100 H HN 0.276 nan 8.280 nan 0.000 0.515 101 S N 2.274 118.110 115.700 0.226 0.000 2.533 101 S HA 0.161 4.631 4.470 -0.000 0.000 0.282 101 S C -0.117 174.616 174.600 0.222 0.000 1.304 101 S CA -0.513 57.798 58.200 0.185 0.000 1.063 101 S CB -0.299 62.976 63.200 0.125 0.000 0.881 101 S HN 0.439 nan 8.310 nan 0.000 0.493 102 I N 5.894 126.565 120.570 0.168 0.000 2.321 102 I HA 0.294 4.464 4.170 -0.000 0.000 0.291 102 I C 1.527 177.694 176.117 0.082 0.000 0.998 102 I CA -0.289 61.096 61.300 0.142 0.000 1.227 102 I CB 1.253 39.283 38.000 0.050 0.000 1.368 102 I HN 0.781 nan 8.210 nan 0.000 0.466 103 N N 3.535 122.268 118.700 0.055 0.000 2.173 103 N HA -0.064 4.676 4.740 -0.000 0.000 0.184 103 N C 0.121 175.601 175.510 -0.051 0.000 1.025 103 N CA 1.044 54.067 53.050 -0.044 0.000 0.852 103 N CB 0.481 38.888 38.487 -0.133 0.000 0.998 103 N HN 0.625 nan 8.380 nan 0.000 0.427 104 D N -1.812 118.586 120.400 -0.003 0.000 2.579 104 D HA 0.184 4.823 4.640 -0.000 0.000 0.257 104 D C -1.330 175.034 176.300 0.107 0.000 1.176 104 D CA -0.476 53.532 54.000 0.012 0.000 0.914 104 D CB 1.608 42.368 40.800 -0.067 0.000 1.431 104 D HN 0.101 nan 8.370 nan 0.000 0.454 105 Y N -0.904 119.444 120.300 0.081 0.000 2.621 105 Y HA 0.751 5.301 4.550 -0.000 0.000 0.334 105 Y C -0.779 175.226 175.900 0.174 0.000 1.074 105 Y CA -0.983 57.187 58.100 0.117 0.000 1.149 105 Y CB 1.635 40.151 38.460 0.094 0.000 1.302 105 Y HN 0.133 nan 8.280 nan 0.000 0.501 106 S N 1.763 117.680 115.700 0.362 0.000 2.616 106 S HA 0.536 5.006 4.470 -0.000 0.000 0.276 106 S C -1.670 173.292 174.600 0.604 0.000 1.159 106 S CA -0.594 57.813 58.200 0.346 0.000 1.000 106 S CB 0.068 63.426 63.200 0.264 0.000 1.117 106 S HN 0.706 nan 8.310 nan 0.000 0.464 107 I N 3.647 124.427 120.570 0.349 0.000 2.385 107 I HA 0.354 4.523 4.170 -0.000 0.000 0.294 107 I C 0.794 176.622 176.117 -0.480 0.000 0.988 107 I CA -0.568 60.775 61.300 0.071 0.000 1.265 107 I CB 1.903 39.933 38.000 0.050 0.000 1.388 107 I HN 0.572 nan 8.210 nan 0.000 0.480 108 S N 6.740 121.844 115.700 -0.993 0.000 2.561 108 S HA -0.025 4.445 4.470 -0.000 0.000 0.294 108 S C -1.623 172.690 174.600 -0.479 0.000 1.294 108 S CA -0.711 56.758 58.200 -1.219 0.000 1.055 108 S CB 0.141 62.870 63.200 -0.786 0.000 0.819 108 S HN 0.499 nan 8.310 nan 0.000 0.503 109 P HA -0.047 nan 4.420 nan 0.000 0.213 109 P C -0.237 177.006 177.300 -0.095 0.000 1.170 109 P CA 1.065 64.082 63.100 -0.139 0.000 0.898 109 P CB 0.019 31.661 31.700 -0.096 0.000 0.787 110 D N -0.840 119.500 120.400 -0.099 0.000 2.522 110 D HA 0.335 4.975 4.640 -0.000 0.000 0.218 110 D C 1.524 177.831 176.300 0.011 0.000 1.149 110 D CA 0.509 54.489 54.000 -0.034 0.000 0.981 110 D CB -0.375 40.397 40.800 -0.048 0.000 1.041 110 D HN 0.157 nan 8.370 nan 0.000 0.518 111 G N 2.735 111.549 108.800 0.024 0.000 4.825 111 G HA2 -0.465 3.495 3.960 -0.000 0.000 0.224 111 G HA3 -0.465 3.495 3.960 -0.000 0.000 0.224 111 G C 1.096 176.025 174.900 0.048 0.000 1.356 111 G CA 0.439 45.584 45.100 0.075 0.000 0.966 111 G HN 0.505 nan 8.290 nan 0.000 0.690 112 Q N -0.080 119.702 119.800 -0.030 0.000 2.398 112 Q HA 0.432 4.772 4.340 -0.000 0.000 0.204 112 Q C 0.338 175.988 176.000 -0.584 0.000 0.932 112 Q CA 0.462 56.059 55.803 -0.343 0.000 0.916 112 Q CB 0.353 28.749 28.738 -0.570 0.000 1.024 112 Q HN 0.552 nan 8.270 nan 0.000 0.504 113 F N 0.037 119.962 119.950 -0.041 0.000 2.579 113 F HA 0.562 5.089 4.527 -0.000 0.000 0.324 113 F C -0.387 175.497 175.800 0.139 0.000 1.058 113 F CA -1.444 56.597 58.000 0.069 0.000 0.944 113 F CB 1.787 40.894 39.000 0.178 0.000 1.245 113 F HN -0.175 nan 8.300 nan 0.000 0.477 114 I N 2.514 123.416 120.570 0.553 0.000 2.582 114 I HA 0.447 4.617 4.170 -0.000 0.000 0.292 114 I C -1.631 174.858 176.117 0.622 0.000 1.066 114 I CA -0.737 60.905 61.300 0.570 0.000 1.053 114 I CB 1.706 39.995 38.000 0.481 0.000 1.241 114 I HN 0.506 nan 8.210 nan 0.000 0.421 115 L N 7.389 129.012 121.223 0.667 0.000 2.349 115 L HA 0.378 4.718 4.340 -0.000 0.000 0.275 115 L C -0.832 176.224 176.870 0.309 0.000 1.115 115 L CA -0.501 54.581 54.840 0.404 0.000 0.820 115 L CB 1.166 43.354 42.059 0.216 0.000 1.135 115 L HN 0.530 nan 8.230 nan 0.000 0.445 116 L N 4.389 125.755 121.223 0.239 0.000 2.298 116 L HA 0.384 4.724 4.340 -0.000 0.000 0.284 116 L C -0.068 176.945 176.870 0.238 0.000 1.013 116 L CA -0.275 54.635 54.840 0.117 0.000 0.824 116 L CB 1.583 43.497 42.059 -0.242 0.000 1.221 116 L HN 0.564 nan 8.230 nan 0.000 0.418 117 E N 4.225 124.517 120.200 0.153 0.000 2.081 117 E HA 0.345 4.695 4.350 -0.000 0.000 0.281 117 E C -1.539 175.097 176.600 0.060 0.000 0.986 117 E CA -0.539 55.820 56.400 -0.068 0.000 0.796 117 E CB 0.765 30.488 29.700 0.039 0.000 1.085 117 E HN 0.437 nan 8.360 nan 0.000 0.398 118 Y N 1.876 122.053 120.300 -0.205 0.000 2.638 118 Y HA 0.466 5.015 4.550 -0.000 0.000 0.339 118 Y C -0.061 175.759 175.900 -0.133 0.000 1.084 118 Y CA -1.815 56.230 58.100 -0.092 0.000 1.068 118 Y CB 0.620 39.072 38.460 -0.013 0.000 1.294 118 Y HN 0.448 nan 8.280 nan 0.000 0.480 119 N N -0.123 118.551 118.700 -0.042 0.000 2.740 119 N HA -0.291 4.449 4.740 -0.000 0.000 0.248 119 N C -1.043 174.439 175.510 -0.047 0.000 1.062 119 N CA 0.999 53.995 53.050 -0.090 0.000 0.704 119 N CB -1.646 36.688 38.487 -0.255 0.000 0.968 119 N HN 0.889 nan 8.380 nan 0.000 0.547 120 Y N -0.058 120.180 120.300 -0.104 0.000 2.511 120 Y HA 0.361 4.911 4.550 -0.000 0.000 0.332 120 Y C -0.082 175.793 175.900 -0.041 0.000 1.177 120 Y CA -0.241 57.813 58.100 -0.078 0.000 1.422 120 Y CB 0.855 39.214 38.460 -0.168 0.000 1.271 120 Y HN -0.017 nan 8.280 nan 0.000 0.550 121 V N 7.716 127.317 119.914 -0.522 0.000 2.419 121 V HA 0.197 4.317 4.120 -0.000 0.000 0.287 121 V C -0.440 175.278 176.094 -0.628 0.000 1.017 121 V CA -1.363 60.650 62.300 -0.479 0.000 0.844 121 V CB 1.182 32.871 31.823 -0.223 0.000 1.011 121 V HN 0.776 nan 8.190 nan 0.000 0.429 122 K N 3.875 123.841 120.400 -0.724 0.000 2.447 122 K HA 0.166 4.486 4.320 -0.000 0.000 0.281 122 K C 0.645 177.062 176.600 -0.305 0.000 1.031 122 K CA 0.299 56.308 56.287 -0.462 0.000 1.019 122 K CB 0.985 33.379 32.500 -0.176 0.000 0.918 122 K HN 0.792 nan 8.250 nan 0.000 0.476 123 Q N 3.680 123.287 119.800 -0.322 0.000 2.349 123 Q HA 0.103 4.443 4.340 -0.000 0.000 0.455 123 Q C 0.094 175.890 176.000 -0.340 0.000 1.031 123 Q CA 0.073 55.518 55.803 -0.597 0.000 0.693 123 Q CB -0.033 28.189 28.738 -0.860 0.000 3.634 123 Q HN 0.733 nan 8.270 nan 0.000 0.358 124 W N -0.094 121.210 121.300 0.005 0.000 1.705 124 W HA 0.290 4.950 4.660 -0.000 0.000 0.634 124 W C 2.014 178.526 176.519 -0.013 0.000 1.570 124 W CA -0.775 56.602 57.345 0.053 0.000 1.631 124 W CB -0.168 29.306 29.460 0.023 0.000 3.266 124 W HN 0.285 nan 8.180 nan 0.000 0.778 125 R N -0.612 119.995 120.500 0.178 0.000 2.115 125 R HA -0.083 4.256 4.340 -0.000 0.000 0.226 125 R C 1.459 177.594 176.300 -0.275 0.000 1.100 125 R CA 1.685 57.720 56.100 -0.108 0.000 0.980 125 R CB -0.264 29.848 30.300 -0.313 0.000 0.875 125 R HN 0.545 nan 8.270 nan 0.000 0.445 126 H N -1.539 117.597 119.070 0.111 0.000 3.017 126 H HA 0.171 4.727 4.556 -0.000 0.000 0.255 126 H C 0.372 175.778 175.328 0.130 0.000 0.990 126 H CA 0.188 56.317 56.048 0.134 0.000 1.205 126 H CB 0.702 30.514 29.762 0.084 0.000 1.460 126 H HN 0.100 nan 8.280 nan 0.000 0.478 127 S N 0.784 116.483 115.700 -0.003 0.000 2.601 127 S HA 0.423 4.893 4.470 -0.000 0.000 0.271 127 S C -0.547 173.934 174.600 -0.198 0.000 1.305 127 S CA -0.539 57.342 58.200 -0.532 0.000 1.022 127 S CB 0.899 63.322 63.200 -1.295 0.000 0.940 127 S HN 0.449 nan 8.310 nan 0.000 0.525 128 Y N -2.561 117.532 120.300 -0.345 0.000 2.765 128 Y HA 0.614 5.164 4.550 -0.000 0.000 0.350 128 Y C -1.148 174.749 175.900 -0.006 0.000 1.196 128 Y CA -1.063 56.913 58.100 -0.206 0.000 1.119 128 Y CB 0.660 39.030 38.460 -0.149 0.000 1.368 128 Y HN 0.630 nan 8.280 nan 0.000 0.463 129 T N 1.947 116.562 114.554 0.101 0.000 2.856 129 T HA 0.947 5.297 4.350 -0.000 0.000 0.283 129 T C -0.759 174.030 174.700 0.148 0.000 1.008 129 T CA 0.257 62.408 62.100 0.085 0.000 0.997 129 T CB 1.227 70.082 68.868 -0.022 0.000 0.992 129 T HN 1.292 nan 8.240 nan 0.000 0.454 130 A N 2.001 124.883 122.820 0.103 0.000 2.511 130 A HA 0.805 5.125 4.320 -0.000 0.000 0.293 130 A C -1.139 176.249 177.584 -0.327 0.000 1.098 130 A CA -0.812 51.162 52.037 -0.105 0.000 0.643 130 A CB 0.987 19.953 19.000 -0.056 0.000 1.302 130 A HN 0.685 nan 8.150 nan 0.000 0.446 131 S N -0.990 114.237 115.700 -0.788 0.000 2.607 131 S HA 0.866 5.336 4.470 -0.000 0.000 0.303 131 S C -1.629 172.228 174.600 -1.239 0.000 1.086 131 S CA -0.271 57.343 58.200 -0.976 0.000 0.995 131 S CB 1.067 63.469 63.200 -1.330 0.000 1.084 131 S HN 0.532 nan 8.310 nan 0.000 0.507 132 Y N -0.092 120.055 120.300 -0.255 0.000 2.479 132 Y HA 0.462 5.012 4.550 -0.000 0.000 0.338 132 Y C -0.812 175.225 175.900 0.229 0.000 1.055 132 Y CA -0.907 57.230 58.100 0.061 0.000 1.023 132 Y CB 1.773 40.161 38.460 -0.119 0.000 1.287 132 Y HN 0.505 nan 8.280 nan 0.000 0.447 133 D N 2.394 123.057 120.400 0.438 0.000 2.433 133 D HA 0.557 5.197 4.640 -0.000 0.000 0.236 133 D C -0.821 175.612 176.300 0.221 0.000 1.026 133 D CA -0.385 53.787 54.000 0.287 0.000 0.884 133 D CB 2.500 43.502 40.800 0.337 0.000 1.384 133 D HN 0.377 nan 8.370 nan 0.000 0.477 134 I N 1.656 122.347 120.570 0.201 0.000 2.336 134 I HA 0.199 4.369 4.170 -0.000 0.000 0.292 134 I C -0.700 175.629 176.117 0.353 0.000 0.991 134 I CA -0.870 60.594 61.300 0.273 0.000 1.227 134 I CB 1.058 39.192 38.000 0.225 0.000 1.366 134 I HN 0.231 nan 8.210 nan 0.000 0.466 135 Y N 6.011 126.468 120.300 0.261 0.000 2.385 135 Y HA 0.189 4.739 4.550 -0.000 0.000 0.341 135 Y C 0.272 176.322 175.900 0.249 0.000 0.965 135 Y CA -0.625 57.627 58.100 0.254 0.000 1.180 135 Y CB 0.671 39.319 38.460 0.313 0.000 1.139 135 Y HN 0.498 nan 8.280 nan 0.000 0.502 136 D N 6.530 126.834 120.400 -0.160 0.000 2.363 136 D HA -0.004 4.636 4.640 -0.000 0.000 0.263 136 D C 0.804 176.729 176.300 -0.624 0.000 1.258 136 D CA 0.493 54.270 54.000 -0.371 0.000 0.907 136 D CB 0.882 41.535 40.800 -0.246 0.000 1.107 136 D HN 0.849 nan 8.370 nan 0.000 0.495 137 L N 3.587 124.513 121.223 -0.495 0.000 2.201 137 L HA -0.072 4.267 4.340 -0.000 0.000 0.212 137 L C 1.672 178.342 176.870 -0.334 0.000 1.105 137 L CA 0.518 55.151 54.840 -0.345 0.000 0.775 137 L CB -0.235 41.681 42.059 -0.238 0.000 0.913 137 L HN 0.383 nan 8.230 nan 0.000 0.440 138 N N 1.380 119.864 118.700 -0.359 0.000 2.416 138 N HA 0.049 4.789 4.740 -0.000 0.000 0.215 138 N C -0.719 174.655 175.510 -0.226 0.000 1.208 138 N CA 0.378 53.272 53.050 -0.260 0.000 0.834 138 N CB 0.222 38.569 38.487 -0.233 0.000 1.072 138 N HN 0.439 nan 8.380 nan 0.000 0.472 139 K N -0.266 119.970 120.400 -0.273 0.000 2.589 139 K HA 0.236 4.556 4.320 -0.000 0.000 0.265 139 K C -0.850 175.594 176.600 -0.261 0.000 0.935 139 K CA -0.725 55.434 56.287 -0.213 0.000 0.850 139 K CB 1.339 33.734 32.500 -0.176 0.000 1.372 139 K HN -0.078 nan 8.250 nan 0.000 0.420 140 R N 2.603 123.037 120.500 -0.110 0.000 3.491 140 R HA -0.001 4.339 4.340 -0.000 0.000 0.186 140 R C -0.579 175.733 176.300 0.020 0.000 1.737 140 R CA 0.355 56.464 56.100 0.016 0.000 1.218 140 R CB -0.446 29.882 30.300 0.047 0.000 1.301 140 R HN 0.436 nan 8.270 nan 0.000 0.703 141 Q N 1.948 121.647 119.800 -0.169 0.000 2.280 141 Q HA 0.271 4.611 4.340 -0.000 0.000 0.259 141 Q C -0.897 175.090 176.000 -0.022 0.000 0.964 141 Q CA -0.603 55.168 55.803 -0.054 0.000 0.844 141 Q CB 2.453 31.136 28.738 -0.092 0.000 1.334 141 Q HN 0.347 nan 8.270 nan 0.000 0.423 142 L N 3.359 124.733 121.223 0.252 0.000 2.371 142 L HA 0.451 4.791 4.340 -0.000 0.000 0.272 142 L C 0.674 177.635 176.870 0.152 0.000 1.124 142 L CA -0.775 54.231 54.840 0.277 0.000 0.816 142 L CB 0.214 42.468 42.059 0.324 0.000 1.129 142 L HN 0.593 nan 8.230 nan 0.000 0.448 143 I N -1.078 119.578 120.570 0.144 0.000 2.556 143 I HA 0.112 4.282 4.170 -0.000 0.000 0.284 143 I C 0.705 176.869 176.117 0.078 0.000 1.114 143 I CA 0.081 61.439 61.300 0.097 0.000 1.418 143 I CB 0.968 39.022 38.000 0.089 0.000 1.394 143 I HN 0.564 nan 8.210 nan 0.000 0.552 144 T N 3.984 118.568 114.554 0.050 0.000 2.953 144 T HA 0.064 4.414 4.350 -0.000 0.000 0.247 144 T C 0.503 175.208 174.700 0.009 0.000 1.029 144 T CA 0.565 62.685 62.100 0.033 0.000 1.144 144 T CB -0.155 68.728 68.868 0.025 0.000 0.870 144 T HN 0.751 nan 8.240 nan 0.000 0.446 145 E N 1.635 121.836 120.200 0.001 0.000 2.349 145 E HA 0.267 4.616 4.350 -0.000 0.000 0.262 145 E C -0.087 176.492 176.600 -0.035 0.000 1.088 145 E CA -0.503 55.886 56.400 -0.018 0.000 0.899 145 E CB 0.388 30.079 29.700 -0.015 0.000 1.044 145 E HN -0.001 nan 8.360 nan 0.000 0.420 146 E N 0.313 120.478 120.200 -0.059 0.000 2.722 146 E HA -0.228 4.122 4.350 -0.000 0.000 0.265 146 E C -0.563 175.966 176.600 -0.119 0.000 1.081 146 E CA 0.750 57.099 56.400 -0.085 0.000 0.781 146 E CB -1.555 28.106 29.700 -0.066 0.000 1.372 146 E HN 0.513 nan 8.360 nan 0.000 0.423 147 R N -0.326 120.101 120.500 -0.121 0.000 2.873 147 R HA 0.152 4.492 4.340 -0.000 0.000 0.267 147 R C 1.170 177.297 176.300 -0.288 0.000 1.009 147 R CA 0.074 56.086 56.100 -0.146 0.000 1.152 147 R CB 0.242 30.483 30.300 -0.099 0.000 1.047 147 R HN 0.099 nan 8.270 nan 0.000 0.470 148 I N 3.546 123.911 120.570 -0.342 0.000 2.588 148 I HA 0.046 4.216 4.170 -0.000 0.000 0.283 148 I C -1.573 174.235 176.117 -0.515 0.000 1.119 148 I CA -1.631 59.293 61.300 -0.627 0.000 1.419 148 I CB 0.602 38.246 38.000 -0.593 0.000 1.394 148 I HN 0.357 nan 8.210 nan 0.000 0.562 149 P HA 0.068 nan 4.420 nan 0.000 0.269 149 P C -0.794 176.302 177.300 -0.340 0.000 1.215 149 P CA -0.302 62.389 63.100 -0.681 0.000 0.780 149 P CB 0.364 31.167 31.700 -1.494 0.000 0.898 150 N N 1.668 120.267 118.700 -0.170 0.000 2.260 150 N HA -0.045 4.695 4.740 -0.000 0.000 0.230 150 N C 0.464 176.069 175.510 0.158 0.000 1.323 150 N CA 0.282 53.299 53.050 -0.055 0.000 0.897 150 N CB -0.493 37.967 38.487 -0.044 0.000 1.146 150 N HN 0.426 nan 8.380 nan 0.000 0.460 151 N N -1.154 117.605 118.700 0.098 0.000 2.689 151 N HA -0.182 4.558 4.740 -0.000 0.000 0.263 151 N C -0.707 174.987 175.510 0.307 0.000 0.987 151 N CA 0.759 53.897 53.050 0.147 0.000 0.782 151 N CB -1.737 36.809 38.487 0.099 0.000 0.903 151 N HN 0.403 nan 8.380 nan 0.000 0.547 152 T N 0.547 115.278 114.554 0.296 0.000 2.909 152 T HA 0.186 4.536 4.350 -0.000 0.000 0.289 152 T C 1.658 176.524 174.700 0.277 0.000 1.005 152 T CA -0.256 62.064 62.100 0.368 0.000 1.084 152 T CB 1.534 70.549 68.868 0.246 0.000 0.975 152 T HN 0.238 nan 8.240 nan 0.000 0.509 153 Q N 1.333 121.293 119.800 0.267 0.000 2.259 153 Q HA 0.182 4.522 4.340 -0.000 0.000 0.201 153 Q C 0.051 176.254 176.000 0.338 0.000 0.938 153 Q CA 0.451 56.431 55.803 0.295 0.000 0.872 153 Q CB 0.849 29.712 28.738 0.208 0.000 0.971 153 Q HN 0.664 nan 8.270 nan 0.000 0.494 154 W N 0.186 121.470 121.300 -0.027 0.000 3.479 154 W HA 0.473 5.133 4.660 -0.000 0.000 0.304 154 W C -2.172 174.282 176.519 -0.109 0.000 1.243 154 W CA -0.768 56.519 57.345 -0.098 0.000 1.202 154 W CB 1.394 30.740 29.460 -0.190 0.000 1.346 154 W HN -0.341 nan 8.180 nan 0.000 0.539 155 V N 3.032 122.308 119.914 -1.063 0.000 2.709 155 V HA 0.708 4.828 4.120 -0.000 0.000 0.308 155 V C -0.449 174.938 176.094 -1.178 0.000 1.062 155 V CA -0.653 61.045 62.300 -1.004 0.000 0.901 155 V CB 1.833 33.001 31.823 -1.092 0.000 1.003 155 V HN 0.486 nan 8.190 nan 0.000 0.425 156 T N 1.344 115.512 114.554 -0.642 0.000 3.071 156 T HA 0.412 4.762 4.350 -0.000 0.000 0.311 156 T C -0.724 173.900 174.700 -0.126 0.000 1.042 156 T CA -0.566 61.344 62.100 -0.316 0.000 1.028 156 T CB 0.883 69.801 68.868 0.083 0.000 1.068 156 T HN 0.582 nan 8.240 nan 0.000 0.451 157 W N 2.619 123.892 121.300 -0.044 0.000 2.253 157 W HA 0.270 4.930 4.660 -0.000 0.000 0.348 157 W C 1.282 177.667 176.519 -0.223 0.000 1.267 157 W CA -0.372 56.925 57.345 -0.081 0.000 1.298 157 W CB 0.327 29.750 29.460 -0.061 0.000 1.181 157 W HN 0.741 nan 8.180 nan 0.000 0.585 158 S N 1.385 116.875 115.700 -0.350 0.000 2.645 158 S HA 0.261 4.731 4.470 -0.000 0.000 0.266 158 S C -1.851 172.473 174.600 -0.459 0.000 1.258 158 S CA -1.173 56.313 58.200 -1.190 0.000 0.990 158 S CB 1.024 63.205 63.200 -1.698 0.000 0.967 158 S HN 0.295 nan 8.310 nan 0.000 0.556 159 P HA 0.128 nan 4.420 nan 0.000 0.237 159 P C -0.269 176.964 177.300 -0.111 0.000 1.178 159 P CA 0.327 63.359 63.100 -0.113 0.000 0.766 159 P CB -0.236 31.447 31.700 -0.027 0.000 0.876 160 V N -5.420 114.380 119.914 -0.191 0.000 2.932 160 V HA 0.882 5.002 4.120 -0.000 0.000 0.307 160 V C 0.280 176.246 176.094 -0.213 0.000 1.147 160 V CA -0.343 61.864 62.300 -0.155 0.000 0.951 160 V CB 1.168 32.922 31.823 -0.116 0.000 1.031 160 V HN 0.354 nan 8.190 nan 0.000 0.426 161 G N 2.915 111.596 108.800 -0.198 0.000 2.513 161 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.227 161 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.227 161 G C 0.012 174.763 174.900 -0.247 0.000 1.176 161 G CA 0.457 45.367 45.100 -0.316 0.000 0.967 161 G HN 2.393 nan 8.290 nan 0.000 0.587 162 H N -0.510 118.561 119.070 0.002 0.000 3.233 162 H HA 0.422 4.978 4.556 -0.000 0.000 0.232 162 H C 0.081 175.554 175.328 0.242 0.000 1.322 162 H CA -0.306 55.795 56.048 0.088 0.000 1.043 162 H CB -0.087 29.718 29.762 0.071 0.000 2.572 162 H HN 0.468 nan 8.280 nan 0.000 0.597 163 K N 1.719 122.235 120.400 0.193 0.000 2.154 163 K HA 0.472 4.792 4.320 -0.000 0.000 0.264 163 K C -0.443 176.247 176.600 0.151 0.000 1.008 163 K CA -0.496 55.867 56.287 0.126 0.000 0.937 163 K CB 1.916 34.375 32.500 -0.067 0.000 1.002 163 K HN 0.131 nan 8.250 nan 0.000 0.469 164 L N 1.578 122.868 121.223 0.111 0.000 2.346 164 L HA 0.517 4.857 4.340 -0.000 0.000 0.276 164 L C -0.718 176.264 176.870 0.188 0.000 1.006 164 L CA -0.737 54.111 54.840 0.013 0.000 0.817 164 L CB 1.970 43.919 42.059 -0.183 0.000 1.272 164 L HN 0.693 nan 8.230 nan 0.000 0.421 165 A N 3.253 126.190 122.820 0.194 0.000 2.330 165 A HA 0.750 5.070 4.320 -0.000 0.000 0.313 165 A C -1.433 176.144 177.584 -0.011 0.000 1.124 165 A CA -0.375 51.706 52.037 0.074 0.000 0.774 165 A CB 0.810 19.827 19.000 0.029 0.000 1.198 165 A HN 0.631 nan 8.150 nan 0.000 0.465 166 Y N 0.126 120.366 120.300 -0.100 0.000 2.545 166 Y HA 0.791 5.341 4.550 -0.000 0.000 0.348 166 Y C -1.132 174.776 175.900 0.013 0.000 1.002 166 Y CA -1.608 56.415 58.100 -0.128 0.000 1.039 166 Y CB 1.172 39.498 38.460 -0.224 0.000 1.271 166 Y HN 0.371 nan 8.280 nan 0.000 0.467 167 V N 2.709 122.756 119.914 0.222 0.000 2.555 167 V HA 0.447 4.567 4.120 -0.000 0.000 0.302 167 V C -1.494 174.843 176.094 0.405 0.000 1.038 167 V CA -0.672 61.752 62.300 0.207 0.000 0.887 167 V CB 1.594 33.452 31.823 0.058 0.000 0.991 167 V HN 0.906 nan 8.190 nan 0.000 0.434 168 W N 4.747 126.156 121.300 0.181 0.000 3.405 168 W HA 0.417 5.077 4.660 -0.000 0.000 0.329 168 W C 0.113 176.694 176.519 0.104 0.000 1.142 168 W CA -0.631 56.792 57.345 0.131 0.000 1.235 168 W CB 1.141 30.662 29.460 0.101 0.000 1.341 168 W HN 0.774 nan 8.180 nan 0.000 0.481 169 N N 5.178 123.533 118.700 -0.575 0.000 2.727 169 N HA -0.332 4.408 4.740 -0.000 0.000 0.249 169 N C -0.014 175.358 175.510 -0.229 0.000 1.048 169 N CA 1.012 53.754 53.050 -0.514 0.000 0.714 169 N CB -0.869 37.174 38.487 -0.739 0.000 0.959 169 N HN 0.702 nan 8.380 nan 0.000 0.544 170 N N -1.478 117.142 118.700 -0.132 0.000 2.800 170 N HA -0.156 4.584 4.740 -0.000 0.000 0.250 170 N C -1.464 173.985 175.510 -0.101 0.000 1.078 170 N CA 1.575 54.560 53.050 -0.109 0.000 0.804 170 N CB -0.485 37.888 38.487 -0.190 0.000 1.135 170 N HN 0.536 nan 8.380 nan 0.000 0.565 171 D N -0.173 120.190 120.400 -0.061 0.000 2.457 171 D HA 0.489 5.129 4.640 -0.000 0.000 0.240 171 D C 0.205 176.373 176.300 -0.219 0.000 1.041 171 D CA -0.424 53.468 54.000 -0.181 0.000 0.861 171 D CB 1.360 42.025 40.800 -0.224 0.000 1.394 171 D HN 0.001 nan 8.370 nan 0.000 0.473 172 I N 2.178 122.435 120.570 -0.521 0.000 2.353 172 I HA 0.252 4.422 4.170 -0.000 0.000 0.293 172 I C -0.737 174.899 176.117 -0.802 0.000 0.992 172 I CA -0.456 60.514 61.300 -0.549 0.000 1.268 172 I CB 0.627 38.226 38.000 -0.667 0.000 1.387 172 I HN 0.166 nan 8.210 nan 0.000 0.478 173 Y N 4.446 124.354 120.300 -0.653 0.000 2.477 173 Y HA 0.604 5.154 4.550 -0.000 0.000 0.347 173 Y C -0.405 175.110 175.900 -0.642 0.000 0.981 173 Y CA -0.862 56.769 58.100 -0.782 0.000 1.033 173 Y CB 2.200 39.775 38.460 -1.476 0.000 1.245 173 Y HN 0.125 nan 8.280 nan 0.000 0.455 174 V N 3.551 123.366 119.914 -0.165 0.000 2.588 174 V HA 0.429 4.549 4.120 -0.000 0.000 0.304 174 V C -0.825 175.365 176.094 0.161 0.000 1.042 174 V CA -1.317 60.976 62.300 -0.012 0.000 0.877 174 V CB 2.016 33.819 31.823 -0.033 0.000 0.996 174 V HN 0.616 nan 8.190 nan 0.000 0.425 175 K N 4.615 125.118 120.400 0.171 0.000 2.367 175 K HA 0.456 4.776 4.320 -0.000 0.000 0.263 175 K C 0.327 177.029 176.600 0.169 0.000 1.000 175 K CA -0.702 55.696 56.287 0.185 0.000 0.891 175 K CB 1.610 34.178 32.500 0.113 0.000 1.117 175 K HN 0.439 nan 8.250 nan 0.000 0.443 176 I N 1.256 121.949 120.570 0.205 0.000 2.353 176 I HA -0.094 4.076 4.170 -0.000 0.000 0.248 176 I C 0.711 176.926 176.117 0.164 0.000 1.119 176 I CA 1.506 62.901 61.300 0.158 0.000 1.417 176 I CB -0.397 37.692 38.000 0.149 0.000 1.078 176 I HN 0.549 nan 8.210 nan 0.000 0.421 177 E N 0.060 120.331 120.200 0.117 0.000 2.336 177 E HA 0.318 4.668 4.350 -0.000 0.000 0.267 177 E C -1.953 174.593 176.600 -0.089 0.000 0.906 177 E CA -1.881 54.525 56.400 0.011 0.000 0.781 177 E CB 1.440 31.148 29.700 0.013 0.000 1.261 177 E HN -0.111 nan 8.360 nan 0.000 0.436 178 P HA -0.021 nan 4.420 nan 0.000 0.236 178 P C 0.538 177.773 177.300 -0.109 0.000 1.177 178 P CA 0.781 63.740 63.100 -0.235 0.000 0.773 178 P CB 0.200 31.638 31.700 -0.437 0.000 0.878 179 N N -1.510 117.150 118.700 -0.067 0.000 2.325 179 N HA 0.010 4.750 4.740 -0.000 0.000 0.182 179 N C 0.448 175.947 175.510 -0.019 0.000 1.088 179 N CA 0.316 53.355 53.050 -0.019 0.000 0.879 179 N CB -0.680 37.815 38.487 0.015 0.000 0.983 179 N HN -0.071 nan 8.380 nan 0.000 0.471 180 L N 1.057 122.272 121.223 -0.013 0.000 2.453 180 L HA 0.453 4.792 4.340 -0.000 0.000 0.261 180 L C -2.054 174.794 176.870 -0.037 0.000 1.179 180 L CA -2.471 52.361 54.840 -0.013 0.000 0.813 180 L CB -0.054 42.020 42.059 0.025 0.000 1.110 180 L HN -0.008 nan 8.230 nan 0.000 0.466 181 P HA 0.058 nan 4.420 nan 0.000 0.265 181 P C -0.502 176.712 177.300 -0.143 0.000 1.193 181 P CA -0.167 62.862 63.100 -0.119 0.000 0.765 181 P CB 0.397 31.998 31.700 -0.165 0.000 0.823 182 S N 2.872 118.548 115.700 -0.040 0.000 2.593 182 S HA 0.264 4.734 4.470 -0.000 0.000 0.269 182 S C -0.488 174.104 174.600 -0.015 0.000 1.334 182 S CA -0.182 58.061 58.200 0.071 0.000 1.015 182 S CB -0.045 63.258 63.200 0.172 0.000 0.912 182 S HN 0.236 nan 8.310 nan 0.000 0.541 183 Y N 0.067 120.367 120.300 -0.001 0.000 2.387 183 Y HA 0.560 5.110 4.550 -0.000 0.000 0.330 183 Y C 0.771 176.577 175.900 -0.157 0.000 1.133 183 Y CA -1.213 56.864 58.100 -0.038 0.000 1.152 183 Y CB 0.969 39.407 38.460 -0.036 0.000 1.215 183 Y HN 0.701 nan 8.280 nan 0.000 0.466 184 R N 2.705 123.130 120.500 -0.126 0.000 2.294 184 R HA 0.408 4.748 4.340 -0.000 0.000 0.319 184 R C -0.077 175.917 176.300 -0.511 0.000 0.984 184 R CA -0.294 55.422 56.100 -0.639 0.000 0.861 184 R CB 0.460 30.154 30.300 -1.011 0.000 1.104 184 R HN 0.745 nan 8.270 nan 0.000 0.451 185 I N 1.818 122.015 120.570 -0.622 0.000 2.810 185 I HA 0.011 4.181 4.170 -0.000 0.000 0.262 185 I C 1.001 176.892 176.117 -0.376 0.000 1.131 185 I CA 0.837 61.894 61.300 -0.406 0.000 1.453 185 I CB -0.610 37.115 38.000 -0.459 0.000 1.161 185 I HN 0.608 nan 8.210 nan 0.000 0.444 186 T N -3.474 110.735 114.554 -0.575 0.000 2.863 186 T HA 0.422 4.772 4.350 -0.000 0.000 0.285 186 T C -0.708 173.725 174.700 -0.446 0.000 1.009 186 T CA -0.490 61.380 62.100 -0.382 0.000 0.989 186 T CB 1.891 70.510 68.868 -0.416 0.000 1.004 186 T HN 0.184 nan 8.240 nan 0.000 0.455 187 W N 0.711 121.894 121.300 -0.196 0.000 2.684 187 W HA 0.246 4.906 4.660 -0.000 0.000 0.381 187 W C 1.828 178.289 176.519 -0.096 0.000 0.975 187 W CA -0.198 57.067 57.345 -0.133 0.000 1.789 187 W CB 0.303 29.705 29.460 -0.096 0.000 1.161 187 W HN 0.944 nan 8.180 nan 0.000 0.564 188 T N -3.315 111.281 114.554 0.071 0.000 3.014 188 T HA 0.249 4.599 4.350 -0.000 0.000 0.250 188 T C 1.359 176.058 174.700 -0.002 0.000 1.060 188 T CA 0.303 62.429 62.100 0.043 0.000 1.040 188 T CB -0.235 68.653 68.868 0.033 0.000 0.971 188 T HN -0.008 nan 8.240 nan 0.000 0.497 189 G N 1.573 110.345 108.800 -0.046 0.000 2.178 189 G HA2 0.304 4.264 3.960 -0.000 0.000 0.244 189 G HA3 0.304 4.264 3.960 -0.000 0.000 0.244 189 G C -0.586 174.260 174.900 -0.090 0.000 1.213 189 G CA -0.263 44.785 45.100 -0.088 0.000 0.912 189 G HN 0.581 nan 8.290 nan 0.000 0.474 190 K N 2.135 122.462 120.400 -0.122 0.000 2.541 190 K HA 0.237 4.557 4.320 -0.000 0.000 0.250 190 K C 0.162 176.653 176.600 -0.182 0.000 0.950 190 K CA -0.739 55.479 56.287 -0.116 0.000 0.805 190 K CB 1.579 34.044 32.500 -0.059 0.000 1.166 190 K HN 0.674 nan 8.250 nan 0.000 0.430 191 E N 3.486 123.584 120.200 -0.170 0.000 2.696 191 E HA -0.208 4.142 4.350 -0.000 0.000 0.270 191 E C -0.549 175.967 176.600 -0.139 0.000 0.958 191 E CA 1.037 57.333 56.400 -0.173 0.000 0.964 191 E CB 0.253 29.883 29.700 -0.117 0.000 0.948 191 E HN 0.682 nan 8.360 nan 0.000 0.472 192 D N 2.217 122.541 120.400 -0.127 0.000 3.018 192 D HA -0.246 4.394 4.640 -0.000 0.000 0.224 192 D C 0.516 176.863 176.300 0.079 0.000 1.185 192 D CA 1.554 55.591 54.000 0.062 0.000 0.858 192 D CB -0.708 40.157 40.800 0.108 0.000 1.112 192 D HN 0.535 nan 8.370 nan 0.000 0.415 193 I N -1.226 119.279 120.570 -0.108 0.000 4.079 193 I HA 0.086 4.256 4.170 -0.000 0.000 0.276 193 I C 0.303 176.462 176.117 0.071 0.000 1.146 193 I CA 0.079 61.407 61.300 0.045 0.000 1.324 193 I CB 0.878 38.888 38.000 0.017 0.000 1.638 193 I HN -0.154 nan 8.210 nan 0.000 0.436 194 I N 0.883 121.375 120.570 -0.129 0.000 2.499 194 I HA 0.290 4.460 4.170 -0.000 0.000 0.288 194 I C -1.640 174.384 176.117 -0.155 0.000 1.048 194 I CA -0.390 60.914 61.300 0.005 0.000 1.062 194 I CB 1.447 39.463 38.000 0.026 0.000 1.238 194 I HN 0.038 nan 8.210 nan 0.000 0.426 195 Y N 4.422 124.809 120.300 0.145 0.000 2.447 195 Y HA 0.363 4.913 4.550 -0.000 0.000 0.325 195 Y C 0.170 176.136 175.900 0.111 0.000 0.976 195 Y CA -0.687 57.505 58.100 0.154 0.000 1.280 195 Y CB 1.140 39.779 38.460 0.297 0.000 1.104 195 Y HN 0.434 nan 8.280 nan 0.000 0.486 196 N N 1.914 120.679 118.700 0.108 0.000 2.419 196 N HA 0.283 5.023 4.740 -0.000 0.000 0.277 196 N C 0.996 176.466 175.510 -0.067 0.000 1.006 196 N CA 0.583 53.629 53.050 -0.006 0.000 0.923 196 N CB 1.905 40.283 38.487 -0.182 0.000 1.140 196 N HN 0.952 nan 8.380 nan 0.000 0.488 197 G N 1.397 110.177 108.800 -0.032 0.000 2.205 197 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.269 197 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.269 197 G C 0.306 175.104 174.900 -0.170 0.000 0.977 197 G CA 1.114 46.145 45.100 -0.116 0.000 0.652 197 G HN 0.676 nan 8.290 nan 0.000 0.539 198 I N -1.716 118.797 120.570 -0.094 0.000 2.957 198 I HA 0.833 5.002 4.170 -0.000 0.000 0.310 198 I C 0.418 176.597 176.117 0.103 0.000 1.063 198 I CA -0.363 60.786 61.300 -0.252 0.000 1.033 198 I CB 1.938 39.534 38.000 -0.673 0.000 1.230 198 I HN 0.168 nan 8.210 nan 0.000 0.447 199 T N -0.100 114.463 114.554 0.015 0.000 2.881 199 T HA 0.424 4.774 4.350 -0.000 0.000 0.278 199 T C -0.205 174.390 174.700 -0.176 0.000 0.982 199 T CA -0.606 61.454 62.100 -0.066 0.000 0.989 199 T CB 1.608 70.504 68.868 0.046 0.000 1.058 199 T HN 0.774 nan 8.240 nan 0.000 0.529 200 D N -0.695 119.384 120.400 -0.535 0.000 2.567 200 D HA 0.128 4.768 4.640 -0.000 0.000 0.275 200 D C 0.903 177.177 176.300 -0.044 0.000 1.195 200 D CA -1.139 52.560 54.000 -0.501 0.000 1.087 200 D CB -0.040 40.261 40.800 -0.833 0.000 1.165 200 D HN 0.648 nan 8.370 nan 0.000 0.609 201 W N 0.132 121.400 121.300 -0.054 0.000 2.332 201 W HA -0.217 4.443 4.660 -0.000 0.000 0.321 201 W C 2.246 178.666 176.519 -0.165 0.000 1.219 201 W CA 3.189 60.497 57.345 -0.063 0.000 1.277 201 W CB -0.549 28.829 29.460 -0.137 0.000 1.161 201 W HN 0.211 nan 8.180 nan 0.000 0.476 202 V N -1.295 118.702 119.914 0.139 0.000 2.255 202 V HA -0.375 3.745 4.120 -0.000 0.000 0.247 202 V C 1.885 177.792 176.094 -0.312 0.000 1.051 202 V CA 2.033 64.266 62.300 -0.111 0.000 1.018 202 V CB -1.918 29.822 31.823 -0.138 0.000 0.641 202 V HN 0.286 nan 8.190 nan 0.000 0.445 203 Y N 1.272 121.373 120.300 -0.331 0.000 2.128 203 Y HA -0.226 4.324 4.550 -0.000 0.000 0.284 203 Y C 2.896 178.654 175.900 -0.236 0.000 1.154 203 Y CA 2.432 60.319 58.100 -0.356 0.000 1.149 203 Y CB -0.376 37.733 38.460 -0.584 0.000 0.976 203 Y HN 0.382 nan 8.280 nan 0.000 0.505 204 E N 0.182 120.344 120.200 -0.064 0.000 2.038 204 E HA -0.322 4.028 4.350 -0.000 0.000 0.195 204 E C 2.112 178.624 176.600 -0.147 0.000 1.000 204 E CA 1.704 58.083 56.400 -0.035 0.000 0.803 204 E CB -0.108 29.579 29.700 -0.022 0.000 0.750 204 E HN 0.396 nan 8.360 nan 0.000 0.448 205 E N 0.050 119.972 120.200 -0.464 0.000 2.046 205 E HA -0.160 4.190 4.350 -0.000 0.000 0.190 205 E C 1.579 178.013 176.600 -0.277 0.000 0.982 205 E CA 1.577 57.667 56.400 -0.516 0.000 0.800 205 E CB 0.173 29.172 29.700 -1.168 0.000 0.756 205 E HN 0.244 nan 8.360 nan 0.000 0.449 206 E N -1.039 118.977 120.200 -0.307 0.000 2.473 206 E HA 0.113 4.462 4.350 -0.000 0.000 0.204 206 E C 1.566 177.982 176.600 -0.307 0.000 0.994 206 E CA 0.286 56.543 56.400 -0.238 0.000 0.945 206 E CB 1.055 30.609 29.700 -0.244 0.000 0.990 206 E HN 0.188 nan 8.360 nan 0.000 0.493 207 V N -0.579 119.103 119.914 -0.387 0.000 2.939 207 V HA 0.079 4.198 4.120 -0.000 0.000 0.228 207 V C 1.229 177.077 176.094 -0.410 0.000 1.162 207 V CA 0.580 62.560 62.300 -0.533 0.000 1.222 207 V CB -0.329 30.980 31.823 -0.857 0.000 1.053 207 V HN -0.004 nan 8.190 nan 0.000 0.504 208 F N 1.063 121.024 119.950 0.018 0.000 2.693 208 F HA 0.322 4.849 4.527 -0.000 0.000 0.303 208 F C 1.414 177.170 175.800 -0.072 0.000 1.097 208 F CA -0.173 57.850 58.000 0.038 0.000 1.330 208 F CB -0.736 38.343 39.000 0.131 0.000 1.067 208 F HN 0.070 nan 8.300 nan 0.000 0.565 209 S N 0.865 116.577 115.700 0.020 0.000 3.427 209 S HA -0.007 4.463 4.470 -0.000 0.000 0.373 209 S C 0.195 174.411 174.600 -0.641 0.000 0.973 209 S CA 0.460 58.578 58.200 -0.136 0.000 1.218 209 S CB -1.707 61.450 63.200 -0.073 0.000 0.912 209 S HN 0.654 nan 8.310 nan 0.000 0.483 210 A N -0.415 122.241 122.820 -0.274 0.000 2.594 210 A HA 0.677 4.997 4.320 -0.000 0.000 0.296 210 A C -0.176 177.400 177.584 -0.012 0.000 1.061 210 A CA -0.614 51.273 52.037 -0.250 0.000 0.689 210 A CB 0.393 19.278 19.000 -0.191 0.000 1.280 210 A HN 0.207 nan 8.150 nan 0.000 0.406 211 Y N 1.796 121.935 120.300 -0.268 0.000 2.231 211 Y HA 0.129 4.679 4.550 -0.000 0.000 0.294 211 Y C 1.776 177.396 175.900 -0.467 0.000 1.120 211 Y CA 1.329 59.270 58.100 -0.266 0.000 1.141 211 Y CB -0.147 38.164 38.460 -0.249 0.000 1.022 211 Y HN 0.705 nan 8.280 nan 0.000 0.523 212 S N 0.837 115.996 115.700 -0.902 0.000 2.673 212 S HA 0.224 4.694 4.470 -0.000 0.000 0.308 212 S C 0.328 174.450 174.600 -0.796 0.000 1.246 212 S CA 0.277 57.756 58.200 -1.201 0.000 1.077 212 S CB -0.113 62.236 63.200 -1.418 0.000 0.814 212 S HN 0.436 nan 8.310 nan 0.000 0.503 213 A N 6.034 128.438 122.820 -0.693 0.000 2.985 213 A HA 0.562 4.882 4.320 -0.000 0.000 0.303 213 A C -0.754 176.217 177.584 -1.023 0.000 1.048 213 A CA -0.462 51.113 52.037 -0.771 0.000 1.016 213 A CB -0.060 18.888 19.000 -0.087 0.000 1.118 213 A HN 0.602 nan 8.150 nan 0.000 0.529 214 L N 0.134 120.588 121.223 -1.283 0.000 2.381 214 L HA 0.733 5.073 4.340 -0.000 0.000 0.268 214 L C -1.281 175.010 176.870 -0.964 0.000 0.997 214 L CA -0.768 53.609 54.840 -0.771 0.000 0.818 214 L CB 1.398 43.291 42.059 -0.276 0.000 1.310 214 L HN 0.458 nan 8.230 nan 0.000 0.416 215 W N 2.779 124.118 121.300 0.066 0.000 3.216 215 W HA 0.189 4.849 4.660 -0.000 0.000 0.335 215 W C -1.243 175.464 176.519 0.314 0.000 1.077 215 W CA -1.051 56.436 57.345 0.237 0.000 1.252 215 W CB 1.004 30.641 29.460 0.296 0.000 1.312 215 W HN 0.478 nan 8.180 nan 0.000 0.446 216 W N 2.254 123.760 121.300 0.343 0.000 2.184 216 W HA 0.302 4.962 4.660 -0.000 0.000 0.338 216 W C 1.326 177.558 176.519 -0.478 0.000 1.257 216 W CA 0.271 57.654 57.345 0.063 0.000 1.243 216 W CB 0.884 30.354 29.460 0.016 0.000 1.122 216 W HN 0.217 nan 8.180 nan 0.000 0.585 217 S N 2.120 117.393 115.700 -0.711 0.000 2.589 217 S HA 0.157 4.627 4.470 -0.000 0.000 0.265 217 S C -1.786 172.579 174.600 -0.391 0.000 1.342 217 S CA -0.846 56.545 58.200 -1.349 0.000 1.005 217 S CB 1.163 63.668 63.200 -1.158 0.000 0.909 217 S HN 0.280 nan 8.310 nan 0.000 0.555 218 P HA -0.020 nan 4.420 nan 0.000 0.216 218 P C 1.264 178.527 177.300 -0.063 0.000 1.153 218 P CA 0.874 63.934 63.100 -0.068 0.000 0.844 218 P CB -0.132 31.570 31.700 0.004 0.000 0.787 219 N N -0.439 118.226 118.700 -0.057 0.000 2.089 219 N HA -0.180 4.560 4.740 -0.000 0.000 0.198 219 N C 1.456 176.908 175.510 -0.096 0.000 1.017 219 N CA 2.364 55.384 53.050 -0.050 0.000 0.880 219 N CB -1.046 37.434 38.487 -0.012 0.000 1.042 219 N HN 0.252 nan 8.380 nan 0.000 0.446 220 G N -2.981 105.769 108.800 -0.083 0.000 2.131 220 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.223 220 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.223 220 G C 0.952 175.907 174.900 0.093 0.000 0.990 220 G CA 0.913 45.933 45.100 -0.134 0.000 0.671 220 G HN 0.410 nan 8.290 nan 0.000 0.521 221 T N -0.181 114.420 114.554 0.077 0.000 2.814 221 T HA 0.336 4.686 4.350 -0.000 0.000 0.254 221 T C 0.957 175.597 174.700 -0.101 0.000 1.037 221 T CA 1.001 63.067 62.100 -0.057 0.000 1.143 221 T CB -0.004 68.776 68.868 -0.147 0.000 0.866 221 T HN 0.277 nan 8.240 nan 0.000 0.431 222 F N 0.315 120.294 119.950 0.049 0.000 2.450 222 F HA 0.623 5.150 4.527 -0.000 0.000 0.328 222 F C -0.035 175.779 175.800 0.023 0.000 1.068 222 F CA -1.169 56.874 58.000 0.072 0.000 1.007 222 F CB 1.135 40.243 39.000 0.180 0.000 1.251 222 F HN -0.089 nan 8.300 nan 0.000 0.492 223 L N 2.053 123.368 121.223 0.154 0.000 2.504 223 L HA 0.648 4.988 4.340 -0.000 0.000 0.265 223 L C -1.211 175.703 176.870 0.075 0.000 0.975 223 L CA -0.453 54.285 54.840 -0.169 0.000 0.864 223 L CB 0.960 42.624 42.059 -0.659 0.000 1.212 223 L HN 0.766 nan 8.230 nan 0.000 0.416 224 A N 4.564 127.512 122.820 0.213 0.000 2.304 224 A HA 0.749 5.069 4.320 -0.000 0.000 0.301 224 A C -1.333 176.329 177.584 0.131 0.000 1.132 224 A CA -0.250 51.789 52.037 0.004 0.000 0.819 224 A CB 0.775 19.810 19.000 0.057 0.000 1.094 224 A HN 0.743 nan 8.150 nan 0.000 0.492 225 Y N -1.587 118.569 120.300 -0.240 0.000 2.552 225 Y HA 0.719 5.269 4.550 -0.000 0.000 0.337 225 Y C -0.296 175.533 175.900 -0.118 0.000 1.094 225 Y CA -0.884 57.184 58.100 -0.054 0.000 1.028 225 Y CB 0.799 39.159 38.460 -0.166 0.000 1.321 225 Y HN 0.893 nan 8.280 nan 0.000 0.456 226 A N 2.727 125.700 122.820 0.256 0.000 2.295 226 A HA 0.621 4.941 4.320 -0.000 0.000 0.318 226 A C -0.893 176.627 177.584 -0.106 0.000 1.134 226 A CA -0.811 51.229 52.037 0.004 0.000 0.827 226 A CB 1.485 20.480 19.000 -0.007 0.000 1.136 226 A HN 0.831 nan 8.150 nan 0.000 0.493 227 Q N 0.546 120.209 119.800 -0.228 0.000 2.312 227 Q HA 0.610 4.950 4.340 -0.000 0.000 0.263 227 Q C -2.017 173.710 176.000 -0.456 0.000 0.995 227 Q CA -0.378 55.346 55.803 -0.133 0.000 0.853 227 Q CB 1.001 29.868 28.738 0.214 0.000 1.300 227 Q HN 0.586 nan 8.270 nan 0.000 0.448 228 F N 2.407 122.471 119.950 0.190 0.000 2.482 228 F HA 0.375 4.902 4.527 -0.000 0.000 0.331 228 F C 0.203 176.168 175.800 0.275 0.000 1.115 228 F CA -0.978 57.112 58.000 0.149 0.000 0.955 228 F CB 1.516 40.514 39.000 -0.003 0.000 1.136 228 F HN 0.437 nan 8.300 nan 0.000 0.452 229 N N 2.117 121.051 118.700 0.390 0.000 2.626 229 N HA 0.212 4.952 4.740 -0.000 0.000 0.242 229 N C -0.891 174.796 175.510 0.295 0.000 1.005 229 N CA -0.393 52.841 53.050 0.307 0.000 0.905 229 N CB 0.637 39.248 38.487 0.208 0.000 1.128 229 N HN 0.538 nan 8.380 nan 0.000 0.512 230 D N 1.121 121.729 120.400 0.346 0.000 2.434 230 D HA 0.101 4.741 4.640 -0.000 0.000 0.232 230 D C 1.043 177.469 176.300 0.210 0.000 1.166 230 D CA 0.187 54.358 54.000 0.285 0.000 0.830 230 D CB 0.480 41.502 40.800 0.369 0.000 0.960 230 D HN 0.433 nan 8.370 nan 0.000 0.497 231 T N 0.239 114.896 114.554 0.171 0.000 2.803 231 T HA -0.154 4.196 4.350 -0.000 0.000 0.269 231 T C 1.224 175.986 174.700 0.103 0.000 1.052 231 T CA 1.171 63.345 62.100 0.124 0.000 1.136 231 T CB 0.019 68.947 68.868 0.101 0.000 0.864 231 T HN 0.342 nan 8.240 nan 0.000 0.467 232 E N 0.114 120.376 120.200 0.104 0.000 2.603 232 E HA 0.190 4.540 4.350 -0.000 0.000 0.211 232 E C -0.450 176.204 176.600 0.089 0.000 0.995 232 E CA -0.187 56.263 56.400 0.084 0.000 0.990 232 E CB 0.880 30.622 29.700 0.070 0.000 1.036 232 E HN 0.173 nan 8.360 nan 0.000 0.475 233 V N 3.890 123.871 119.914 0.113 0.000 2.585 233 V HA 0.057 4.177 4.120 -0.000 0.000 0.296 233 V C -1.879 174.277 176.094 0.104 0.000 1.035 233 V CA -1.130 61.239 62.300 0.116 0.000 1.084 233 V CB 0.181 32.090 31.823 0.143 0.000 0.953 233 V HN 0.056 nan 8.190 nan 0.000 0.483 234 P HA 0.251 nan 4.420 nan 0.000 0.271 234 P C -0.805 176.542 177.300 0.079 0.000 1.244 234 P CA -0.293 62.852 63.100 0.076 0.000 0.793 234 P CB 0.495 32.239 31.700 0.072 0.000 0.984 235 L N 1.306 122.555 121.223 0.044 0.000 2.333 235 L HA 0.444 4.784 4.340 -0.000 0.000 0.280 235 L C 0.204 177.049 176.870 -0.041 0.000 1.004 235 L CA -0.844 54.009 54.840 0.023 0.000 0.820 235 L CB 1.312 43.380 42.059 0.015 0.000 1.247 235 L HN 0.318 nan 8.230 nan 0.000 0.416 236 I N 3.177 123.688 120.570 -0.099 0.000 2.472 236 I HA 0.275 4.445 4.170 -0.000 0.000 0.290 236 I C -0.289 175.730 176.117 -0.163 0.000 1.016 236 I CA 0.074 61.223 61.300 -0.252 0.000 1.348 236 I CB 1.378 38.975 38.000 -0.671 0.000 1.417 236 I HN 0.753 nan 8.210 nan 0.000 0.521 237 E N 7.048 127.164 120.200 -0.141 0.000 2.314 237 E HA 0.509 4.859 4.350 -0.000 0.000 0.272 237 E C -1.808 174.778 176.600 -0.023 0.000 0.884 237 E CA -0.545 55.782 56.400 -0.122 0.000 0.753 237 E CB 2.482 32.112 29.700 -0.117 0.000 1.213 237 E HN 0.498 nan 8.360 nan 0.000 0.432 238 Y N -1.938 118.275 120.300 -0.145 0.000 2.638 238 Y HA 0.606 5.156 4.550 -0.000 0.000 0.335 238 Y C -0.807 175.017 175.900 -0.125 0.000 1.155 238 Y CA -1.294 56.724 58.100 -0.137 0.000 1.046 238 Y CB 0.805 39.193 38.460 -0.120 0.000 1.303 238 Y HN 0.276 nan 8.280 nan 0.000 0.460 239 S N 1.523 117.175 115.700 -0.081 0.000 2.586 239 S HA 0.559 5.029 4.470 -0.000 0.000 0.274 239 S C -1.421 173.003 174.600 -0.293 0.000 1.281 239 S CA -0.421 57.584 58.200 -0.325 0.000 1.035 239 S CB 0.643 63.509 63.200 -0.557 0.000 0.962 239 S HN 0.538 nan 8.310 nan 0.000 0.512 240 F N 1.415 121.071 119.950 -0.491 0.000 2.540 240 F HA 0.495 5.022 4.527 -0.000 0.000 0.317 240 F C -0.525 175.039 175.800 -0.394 0.000 1.104 240 F CA -0.757 57.053 58.000 -0.316 0.000 0.913 240 F CB 1.094 40.028 39.000 -0.111 0.000 1.170 240 F HN 0.625 nan 8.300 nan 0.000 0.450 241 Y N 2.365 122.422 120.300 -0.405 0.000 2.535 241 Y HA 0.254 4.804 4.550 -0.000 0.000 0.266 241 Y C 1.427 177.227 175.900 -0.168 0.000 1.088 241 Y CA 0.816 58.791 58.100 -0.207 0.000 1.285 241 Y CB -0.338 38.000 38.460 -0.204 0.000 1.166 241 Y HN 0.738 nan 8.280 nan 0.000 0.525 242 S N 0.022 115.582 115.700 -0.234 0.000 3.381 242 S HA -0.225 4.245 4.470 -0.000 0.000 0.636 242 S C -0.608 174.015 174.600 0.038 0.000 2.614 242 S CA 0.297 58.509 58.200 0.021 0.000 2.810 242 S CB -1.043 62.303 63.200 0.244 0.000 0.331 242 S HN 0.433 nan 8.310 nan 0.000 1.788 243 D N 2.008 122.458 120.400 0.084 0.000 2.472 243 D HA 0.178 4.817 4.640 -0.000 0.000 0.237 243 D C 1.476 177.801 176.300 0.042 0.000 1.141 243 D CA 0.769 54.803 54.000 0.057 0.000 0.875 243 D CB 0.393 41.232 40.800 0.065 0.000 1.192 243 D HN 0.656 nan 8.370 nan 0.000 0.450 244 E N 0.053 120.266 120.200 0.021 0.000 2.394 244 E HA -0.257 4.093 4.350 -0.000 0.000 0.202 244 E C 1.168 177.776 176.600 0.014 0.000 1.029 244 E CA 1.259 57.664 56.400 0.008 0.000 0.855 244 E CB -0.074 29.622 29.700 -0.006 0.000 0.770 244 E HN 0.286 nan 8.360 nan 0.000 0.527 245 S N 0.310 116.026 115.700 0.028 0.000 2.527 245 S HA 0.004 4.474 4.470 -0.000 0.000 0.222 245 S C 0.978 175.604 174.600 0.044 0.000 0.985 245 S CA -0.414 57.804 58.200 0.031 0.000 0.921 245 S CB -0.151 63.069 63.200 0.033 0.000 0.772 245 S HN 0.362 nan 8.310 nan 0.000 0.529 246 L N 2.616 123.874 121.223 0.057 0.000 2.456 246 L HA 0.184 4.524 4.340 -0.000 0.000 0.277 246 L C 1.504 178.414 176.870 0.067 0.000 1.124 246 L CA -0.031 54.855 54.840 0.078 0.000 0.880 246 L CB 1.066 43.185 42.059 0.101 0.000 1.192 246 L HN 0.462 nan 8.230 nan 0.000 0.463 247 Q N 4.773 124.622 119.800 0.082 0.000 1.993 247 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 247 Q C -0.573 175.410 176.000 -0.029 0.000 0.984 247 Q CA 1.755 57.581 55.803 0.038 0.000 0.837 247 Q CB 0.013 28.826 28.738 0.125 0.000 0.902 247 Q HN 0.616 nan 8.270 nan 0.000 0.423 248 Y N 0.909 121.223 120.300 0.023 0.000 2.342 248 Y HA 0.372 4.922 4.550 -0.000 0.000 0.338 248 Y C -2.011 173.902 175.900 0.022 0.000 0.965 248 Y CA -2.938 55.174 58.100 0.019 0.000 1.159 248 Y CB 1.168 39.631 38.460 0.005 0.000 1.157 248 Y HN 0.217 nan 8.280 nan 0.000 0.486 249 P HA -0.147 nan 4.420 nan 0.000 0.261 249 P C -0.373 176.945 177.300 0.030 0.000 1.158 249 P CA 0.260 63.392 63.100 0.052 0.000 0.758 249 P CB 0.547 32.246 31.700 -0.002 0.000 0.763 250 K N 2.665 123.072 120.400 0.012 0.000 2.276 250 K HA 0.176 4.496 4.320 -0.000 0.000 0.283 250 K C -0.523 176.027 176.600 -0.084 0.000 1.044 250 K CA -0.114 56.169 56.287 -0.007 0.000 0.944 250 K CB 0.346 32.865 32.500 0.032 0.000 1.012 250 K HN 0.354 nan 8.250 nan 0.000 0.472 251 T N 3.733 118.228 114.554 -0.099 0.000 2.723 251 T HA 0.149 4.499 4.350 -0.000 0.000 0.297 251 T C -0.136 174.441 174.700 -0.205 0.000 0.925 251 T CA -0.610 61.395 62.100 -0.158 0.000 1.030 251 T CB 0.776 69.571 68.868 -0.122 0.000 0.905 251 T HN 0.273 nan 8.240 nan 0.000 0.502 252 V N 5.502 125.204 119.914 -0.354 0.000 2.530 252 V HA 0.325 4.445 4.120 -0.000 0.000 0.282 252 V C 0.632 176.511 176.094 -0.358 0.000 1.048 252 V CA -0.390 61.660 62.300 -0.416 0.000 0.997 252 V CB 0.486 31.867 31.823 -0.736 0.000 0.987 252 V HN 0.710 nan 8.190 nan 0.000 0.477 253 R N 3.355 123.754 120.500 -0.169 0.000 2.360 253 R HA 0.679 5.019 4.340 -0.000 0.000 0.318 253 R C -1.485 174.829 176.300 0.024 0.000 0.950 253 R CA -0.492 55.558 56.100 -0.083 0.000 0.837 253 R CB 2.065 32.336 30.300 -0.050 0.000 1.165 253 R HN 0.554 nan 8.270 nan 0.000 0.458 254 V N 5.156 125.099 119.914 0.049 0.000 2.407 254 V HA 0.324 4.444 4.120 -0.000 0.000 0.291 254 V C -2.252 173.919 176.094 0.128 0.000 1.018 254 V CA -2.449 59.943 62.300 0.152 0.000 0.842 254 V CB 1.844 33.751 31.823 0.140 0.000 0.996 254 V HN 0.632 nan 8.190 nan 0.000 0.426 255 P HA 0.126 nan 4.420 nan 0.000 0.266 255 P C -1.214 176.202 177.300 0.193 0.000 1.215 255 P CA 0.289 63.502 63.100 0.188 0.000 0.763 255 P CB -0.064 31.779 31.700 0.238 0.000 0.806 256 Y N 5.916 126.210 120.300 -0.010 0.000 2.294 256 Y HA 0.338 4.888 4.550 -0.000 0.000 0.329 256 Y C -2.804 173.082 175.900 -0.024 0.000 1.135 256 Y CA -2.879 55.168 58.100 -0.089 0.000 1.213 256 Y CB 1.503 39.802 38.460 -0.268 0.000 1.141 256 Y HN 0.266 nan 8.280 nan 0.000 0.446 257 P HA 0.254 nan 4.420 nan 0.000 0.281 257 P C -0.736 176.612 177.300 0.079 0.000 1.286 257 P CA -0.058 63.082 63.100 0.067 0.000 0.772 257 P CB 1.185 32.911 31.700 0.043 0.000 0.862 258 K N 1.913 122.444 120.400 0.219 0.000 2.098 258 K HA 0.531 4.851 4.320 -0.000 0.000 0.244 258 K C 0.388 177.099 176.600 0.185 0.000 1.014 258 K CA -0.853 55.596 56.287 0.269 0.000 0.917 258 K CB 0.842 33.514 32.500 0.287 0.000 1.072 258 K HN 0.436 nan 8.250 nan 0.000 0.477 259 A N 0.811 123.766 122.820 0.225 0.000 2.563 259 A HA 0.219 4.539 4.320 -0.000 0.000 0.256 259 A C 1.129 178.762 177.584 0.082 0.000 1.056 259 A CA 1.209 53.361 52.037 0.192 0.000 0.775 259 A CB -1.382 17.804 19.000 0.311 0.000 0.973 259 A HN 0.928 nan 8.150 nan 0.000 0.516 260 G N 1.007 109.846 108.800 0.066 0.000 2.176 260 G HA2 0.134 4.094 3.960 -0.000 0.000 0.253 260 G HA3 0.134 4.094 3.960 -0.000 0.000 0.253 260 G C 0.652 175.574 174.900 0.037 0.000 0.979 260 G CA 0.585 45.699 45.100 0.023 0.000 0.641 260 G HN 2.179 nan 8.290 nan 0.000 0.530 261 A N -0.246 122.613 122.820 0.064 0.000 2.327 261 A HA 0.712 5.032 4.320 -0.000 0.000 0.255 261 A C 0.964 178.586 177.584 0.062 0.000 1.099 261 A CA 0.388 52.466 52.037 0.068 0.000 0.801 261 A CB 0.538 19.595 19.000 0.095 0.000 1.062 261 A HN 1.228 nan 8.150 nan 0.000 0.496 262 V N 1.734 121.685 119.914 0.062 0.000 2.585 262 V HA 0.022 4.142 4.120 -0.000 0.000 0.296 262 V C 0.700 176.841 176.094 0.078 0.000 1.035 262 V CA 0.213 62.549 62.300 0.060 0.000 1.084 262 V CB -0.102 31.757 31.823 0.059 0.000 0.953 262 V HN 0.885 nan 8.190 nan 0.000 0.483 263 N N 4.793 123.538 118.700 0.076 0.000 2.482 263 N HA 0.474 5.214 4.740 -0.000 0.000 0.279 263 N C -2.489 173.104 175.510 0.137 0.000 1.182 263 N CA -1.449 51.666 53.050 0.109 0.000 0.969 263 N CB 1.609 40.157 38.487 0.101 0.000 1.201 263 N HN 0.476 nan 8.380 nan 0.000 0.523 264 P HA 0.054 nan 4.420 nan 0.000 0.272 264 P C -0.702 176.752 177.300 0.258 0.000 1.230 264 P CA -0.123 63.126 63.100 0.250 0.000 0.788 264 P CB 0.643 32.526 31.700 0.305 0.000 0.949 265 T N -2.071 112.624 114.554 0.235 0.000 2.949 265 T HA 0.611 4.961 4.350 -0.000 0.000 0.287 265 T C -0.469 174.378 174.700 0.245 0.000 1.034 265 T CA -0.900 61.309 62.100 0.181 0.000 1.018 265 T CB 1.474 70.398 68.868 0.093 0.000 1.135 265 T HN 0.328 nan 8.240 nan 0.000 0.532 266 V N 1.205 121.232 119.914 0.189 0.000 2.733 266 V HA 0.587 4.707 4.120 -0.000 0.000 0.306 266 V C -1.404 174.769 176.094 0.133 0.000 1.084 266 V CA -0.845 61.510 62.300 0.092 0.000 0.905 266 V CB 1.860 33.742 31.823 0.099 0.000 1.010 266 V HN 1.013 nan 8.190 nan 0.000 0.424 267 K N 4.979 125.398 120.400 0.032 0.000 2.168 267 K HA 0.585 4.904 4.320 -0.000 0.000 0.239 267 K C -1.240 175.280 176.600 -0.133 0.000 0.999 267 K CA -0.457 55.815 56.287 -0.025 0.000 0.900 267 K CB 2.314 34.758 32.500 -0.093 0.000 1.111 267 K HN 0.575 nan 8.250 nan 0.000 0.452 268 F N 0.821 120.471 119.950 -0.500 0.000 2.540 268 F HA 0.514 5.041 4.527 -0.000 0.000 0.317 268 F C -1.484 173.742 175.800 -0.956 0.000 1.104 268 F CA -1.005 56.651 58.000 -0.574 0.000 0.913 268 F CB 1.010 39.777 39.000 -0.389 0.000 1.170 268 F HN 0.384 nan 8.300 nan 0.000 0.450 269 F N 3.719 122.848 119.950 -1.368 0.000 2.620 269 F HA 0.806 5.333 4.527 -0.000 0.000 0.320 269 F C -0.942 174.138 175.800 -1.199 0.000 1.069 269 F CA -1.187 56.128 58.000 -1.143 0.000 0.953 269 F CB 2.209 40.480 39.000 -1.215 0.000 1.322 269 F HN 0.159 nan 8.300 nan 0.000 0.479 270 V N 2.232 121.912 119.914 -0.391 0.000 2.612 270 V HA 0.538 4.658 4.120 -0.000 0.000 0.301 270 V C -1.138 175.049 176.094 0.156 0.000 1.059 270 V CA -0.756 61.432 62.300 -0.186 0.000 0.886 270 V CB 1.739 33.300 31.823 -0.436 0.000 1.007 270 V HN 0.532 nan 8.190 nan 0.000 0.426 271 V N 3.351 123.401 119.914 0.226 0.000 2.555 271 V HA 0.472 4.592 4.120 -0.000 0.000 0.302 271 V C 0.095 176.290 176.094 0.168 0.000 1.038 271 V CA -0.787 61.638 62.300 0.208 0.000 0.887 271 V CB 2.131 34.015 31.823 0.102 0.000 0.991 271 V HN 0.868 nan 8.190 nan 0.000 0.434 272 N N 2.352 121.090 118.700 0.063 0.000 2.405 272 N HA 0.053 4.793 4.740 -0.000 0.000 0.260 272 N C 0.852 176.255 175.510 -0.179 0.000 1.152 272 N CA 0.348 53.251 53.050 -0.246 0.000 0.948 272 N CB 1.599 39.920 38.487 -0.276 0.000 1.111 272 N HN 0.759 nan 8.380 nan 0.000 0.485 273 T N 1.649 116.097 114.554 -0.177 0.000 3.113 273 T HA 0.052 4.402 4.350 -0.000 0.000 0.256 273 T C 0.193 174.804 174.700 -0.148 0.000 1.131 273 T CA 0.504 62.534 62.100 -0.116 0.000 1.074 273 T CB 0.103 69.007 68.868 0.060 0.000 0.944 273 T HN 0.403 nan 8.240 nan 0.000 0.516 274 D N 0.390 120.685 120.400 -0.175 0.000 2.342 274 D HA 0.159 4.799 4.640 -0.000 0.000 0.221 274 D C 1.330 177.556 176.300 -0.123 0.000 1.101 274 D CA 0.148 54.063 54.000 -0.142 0.000 0.837 274 D CB 0.441 41.152 40.800 -0.149 0.000 0.938 274 D HN 0.473 nan 8.370 nan 0.000 0.508 275 S N -1.059 114.561 115.700 -0.134 0.000 2.730 275 S HA 0.238 4.708 4.470 -0.000 0.000 0.244 275 S C 0.566 175.109 174.600 -0.095 0.000 1.022 275 S CA -0.489 57.660 58.200 -0.084 0.000 1.014 275 S CB 0.151 63.322 63.200 -0.049 0.000 0.963 275 S HN -0.014 nan 8.310 nan 0.000 0.540 276 L N 2.502 123.598 121.223 -0.212 0.000 2.453 276 L HA 0.406 4.746 4.340 -0.000 0.000 0.272 276 L C 0.513 177.353 176.870 -0.050 0.000 1.182 276 L CA 0.029 54.682 54.840 -0.312 0.000 0.858 276 L CB 1.132 42.625 42.059 -0.943 0.000 1.120 276 L HN 0.247 nan 8.230 nan 0.000 0.474 277 S N 0.354 116.150 115.700 0.161 0.000 2.503 277 S HA 0.286 4.756 4.470 -0.000 0.000 0.301 277 S C 0.871 175.677 174.600 0.343 0.000 1.087 277 S CA -0.748 57.600 58.200 0.247 0.000 1.042 277 S CB 1.688 64.968 63.200 0.134 0.000 1.043 277 S HN 0.628 nan 8.310 nan 0.000 0.489 278 S N 2.896 118.724 115.700 0.215 0.000 2.474 278 S HA -0.014 4.456 4.470 -0.000 0.000 0.235 278 S C 1.159 175.796 174.600 0.062 0.000 0.997 278 S CA 0.600 58.830 58.200 0.050 0.000 0.949 278 S CB 0.011 63.209 63.200 -0.004 0.000 0.766 278 S HN 0.553 nan 8.310 nan 0.000 0.517 279 V N 0.330 120.301 119.914 0.096 0.000 3.251 279 V HA 0.106 4.226 4.120 -0.000 0.000 0.239 279 V C 0.307 176.453 176.094 0.086 0.000 1.332 279 V CA 0.652 62.999 62.300 0.078 0.000 1.224 279 V CB 0.342 32.196 31.823 0.051 0.000 1.004 279 V HN 0.351 nan 8.190 nan 0.000 0.464 280 T N 1.998 116.607 114.554 0.092 0.000 2.743 280 T HA 0.350 4.700 4.350 -0.000 0.000 0.293 280 T C -0.067 174.699 174.700 0.109 0.000 0.945 280 T CA -0.444 61.702 62.100 0.076 0.000 1.030 280 T CB 0.646 69.548 68.868 0.056 0.000 0.912 280 T HN 0.156 nan 8.240 nan 0.000 0.483 281 N N 1.907 120.669 118.700 0.104 0.000 2.283 281 N HA 0.191 4.931 4.740 -0.000 0.000 0.236 281 N C 0.248 175.831 175.510 0.123 0.000 1.252 281 N CA 0.001 53.150 53.050 0.164 0.000 0.856 281 N CB 0.237 38.794 38.487 0.117 0.000 1.099 281 N HN 0.884 nan 8.380 nan 0.000 0.444 282 A N 0.951 123.848 122.820 0.128 0.000 2.388 282 A HA 0.331 4.651 4.320 -0.000 0.000 0.257 282 A C 0.043 177.661 177.584 0.056 0.000 1.095 282 A CA -0.393 51.682 52.037 0.062 0.000 0.791 282 A CB 0.047 19.054 19.000 0.011 0.000 1.029 282 A HN 0.555 nan 8.150 nan 0.000 0.489 283 T N 2.444 117.035 114.554 0.060 0.000 2.875 283 T HA 0.319 4.668 4.350 -0.000 0.000 0.307 283 T C 0.138 174.902 174.700 0.106 0.000 1.013 283 T CA -0.123 62.024 62.100 0.079 0.000 0.970 283 T CB 0.110 69.035 68.868 0.095 0.000 0.986 283 T HN 0.462 nan 8.240 nan 0.000 0.536 284 S N 3.601 119.345 115.700 0.073 0.000 2.430 284 S HA 0.279 4.749 4.470 -0.000 0.000 0.282 284 S C 0.508 175.252 174.600 0.239 0.000 1.186 284 S CA -0.654 57.611 58.200 0.109 0.000 1.060 284 S CB -0.227 62.905 63.200 -0.114 0.000 0.966 284 S HN 0.513 nan 8.310 nan 0.000 0.501 285 I N 3.342 124.087 120.570 0.291 0.000 2.441 285 I HA 0.143 4.313 4.170 -0.000 0.000 0.287 285 I C 0.673 176.962 176.117 0.287 0.000 1.049 285 I CA 0.141 61.629 61.300 0.314 0.000 1.381 285 I CB 0.719 38.961 38.000 0.403 0.000 1.409 285 I HN 0.559 nan 8.210 nan 0.000 0.523 286 Q N 6.116 126.053 119.800 0.229 0.000 2.259 286 Q HA 0.482 4.822 4.340 -0.000 0.000 0.249 286 Q C -1.005 174.933 176.000 -0.103 0.000 0.914 286 Q CA -0.475 55.251 55.803 -0.128 0.000 0.904 286 Q CB 0.969 29.625 28.738 -0.136 0.000 1.213 286 Q HN 0.546 nan 8.270 nan 0.000 0.428 287 I N 3.259 123.717 120.570 -0.186 0.000 2.328 287 I HA 0.180 4.350 4.170 -0.000 0.000 0.287 287 I C 0.025 176.161 176.117 0.031 0.000 1.012 287 I CA -0.544 60.753 61.300 -0.005 0.000 1.195 287 I CB 1.662 39.711 38.000 0.080 0.000 1.350 287 I HN 0.556 nan 8.210 nan 0.000 0.464 288 T N 5.631 120.172 114.554 -0.021 0.000 2.884 288 T HA 0.349 4.699 4.350 -0.000 0.000 0.298 288 T C 0.593 175.137 174.700 -0.261 0.000 0.998 288 T CA -0.285 61.748 62.100 -0.111 0.000 1.124 288 T CB 0.831 69.636 68.868 -0.105 0.000 0.931 288 T HN 0.707 nan 8.240 nan 0.000 0.531 289 A N 6.179 128.601 122.820 -0.662 0.000 2.475 289 A HA 0.424 4.744 4.320 -0.000 0.000 0.239 289 A C -2.096 174.966 177.584 -0.870 0.000 1.087 289 A CA -0.957 50.145 52.037 -1.559 0.000 0.779 289 A CB -0.471 17.242 19.000 -2.145 0.000 1.036 289 A HN 0.542 nan 8.150 nan 0.000 0.506 290 P HA 0.291 nan 4.420 nan 0.000 0.274 290 P C 0.775 177.856 177.300 -0.366 0.000 1.246 290 P CA 0.456 63.297 63.100 -0.431 0.000 0.795 290 P CB 0.598 32.108 31.700 -0.316 0.000 1.006 291 A N 1.385 124.072 122.820 -0.222 0.000 1.948 291 A HA -0.207 4.112 4.320 -0.000 0.000 0.220 291 A C 1.983 179.471 177.584 -0.160 0.000 1.177 291 A CA 2.537 54.472 52.037 -0.169 0.000 0.636 291 A CB -1.835 17.099 19.000 -0.109 0.000 0.815 291 A HN 0.624 nan 8.150 nan 0.000 0.449 292 S N -1.841 113.783 115.700 -0.128 0.000 2.603 292 S HA 0.096 4.566 4.470 -0.000 0.000 0.220 292 S C 1.537 176.089 174.600 -0.080 0.000 0.967 292 S CA 0.852 59.012 58.200 -0.067 0.000 0.920 292 S CB -0.109 63.117 63.200 0.043 0.000 0.773 292 S HN 0.364 nan 8.310 nan 0.000 0.529 293 M N 0.923 120.381 119.600 -0.236 0.000 2.466 293 M HA 0.368 4.848 4.480 -0.000 0.000 0.265 293 M C 1.697 177.756 176.300 -0.402 0.000 1.122 293 M CA 0.634 55.704 55.300 -0.383 0.000 1.157 293 M CB -1.153 30.997 32.600 -0.750 0.000 1.352 293 M HN 0.324 nan 8.290 nan 0.000 0.464 294 L N -0.037 120.964 121.223 -0.369 0.000 2.633 294 L HA -0.075 4.265 4.340 -0.000 0.000 0.235 294 L C 2.153 178.990 176.870 -0.055 0.000 1.163 294 L CA 0.337 55.069 54.840 -0.181 0.000 0.859 294 L CB -0.309 41.635 42.059 -0.192 0.000 0.973 294 L HN 0.246 nan 8.230 nan 0.000 0.451 295 I N -0.603 119.933 120.570 -0.056 0.000 3.030 295 I HA 0.074 4.244 4.170 -0.000 0.000 0.270 295 I C 1.050 177.164 176.117 -0.004 0.000 1.211 295 I CA 0.679 61.958 61.300 -0.035 0.000 1.479 295 I CB 0.108 38.075 38.000 -0.055 0.000 1.105 295 I HN 0.180 nan 8.210 nan 0.000 0.447 296 G N -0.415 108.404 108.800 0.032 0.000 2.911 296 G HA2 0.254 4.214 3.960 -0.000 0.000 0.299 296 G HA3 0.254 4.214 3.960 -0.000 0.000 0.299 296 G C -1.408 173.533 174.900 0.068 0.000 1.283 296 G CA -0.440 44.678 45.100 0.030 0.000 0.805 296 G HN -0.006 nan 8.290 nan 0.000 0.548 297 D N 0.664 121.052 120.400 -0.019 0.000 2.399 297 D HA 0.497 5.137 4.640 -0.000 0.000 0.241 297 D C 0.025 176.242 176.300 -0.139 0.000 1.133 297 D CA 0.755 54.673 54.000 -0.137 0.000 0.890 297 D CB 0.988 41.693 40.800 -0.159 0.000 1.201 297 D HN 0.592 nan 8.370 nan 0.000 0.432 298 H N -1.831 117.103 119.070 -0.227 0.000 3.014 298 H HA 0.530 5.085 4.556 -0.000 0.000 0.337 298 H C -1.507 173.657 175.328 -0.273 0.000 1.320 298 H CA -1.011 54.875 56.048 -0.270 0.000 1.128 298 H CB 0.281 30.032 29.762 -0.019 0.000 1.862 298 H HN 0.243 nan 8.280 nan 0.000 0.536 299 Y N 0.313 120.826 120.300 0.355 0.000 2.446 299 Y HA 0.373 4.923 4.550 -0.000 0.000 0.338 299 Y C -0.003 176.148 175.900 0.418 0.000 1.055 299 Y CA -1.361 56.951 58.100 0.352 0.000 1.101 299 Y CB 1.390 39.877 38.460 0.046 0.000 1.221 299 Y HN 0.499 nan 8.280 nan 0.000 0.460 300 L N 3.369 124.918 121.223 0.544 0.000 2.326 300 L HA 0.272 4.612 4.340 -0.000 0.000 0.278 300 L C 0.229 177.138 176.870 0.065 0.000 1.092 300 L CA -0.187 54.672 54.840 0.031 0.000 0.810 300 L CB 0.802 42.770 42.059 -0.153 0.000 1.153 300 L HN 1.165 nan 8.230 nan 0.000 0.439 301 C N 0.959 120.182 119.300 -0.128 0.000 3.772 301 C HA 0.485 4.945 4.460 -0.000 0.000 0.293 301 C C -0.196 174.724 174.990 -0.117 0.000 1.659 301 C CA -0.597 58.288 59.018 -0.222 0.000 1.810 301 C CB -0.419 27.229 27.740 -0.153 0.000 3.059 301 C HN 0.859 nan 8.230 nan 0.000 0.617 302 D N 0.240 120.589 120.400 -0.085 0.000 2.747 302 D HA 0.360 5.000 4.640 -0.000 0.000 0.218 302 D C -1.907 174.147 176.300 -0.411 0.000 1.230 302 D CA 0.142 54.092 54.000 -0.082 0.000 0.774 302 D CB 2.547 43.277 40.800 -0.118 0.000 1.667 302 D HN 0.062 nan 8.370 nan 0.000 0.499 303 V N 2.966 122.552 119.914 -0.546 0.000 2.509 303 V HA 0.422 4.542 4.120 -0.000 0.000 0.289 303 V C -0.411 175.272 176.094 -0.685 0.000 1.026 303 V CA -0.355 61.369 62.300 -0.960 0.000 0.872 303 V CB 1.796 32.520 31.823 -1.831 0.000 1.017 303 V HN 0.596 nan 8.190 nan 0.000 0.436 304 T N 3.427 117.678 114.554 -0.505 0.000 2.824 304 T HA 0.465 4.815 4.350 -0.000 0.000 0.282 304 T C -0.682 173.824 174.700 -0.323 0.000 0.993 304 T CA -0.419 61.522 62.100 -0.265 0.000 0.967 304 T CB 1.156 69.951 68.868 -0.122 0.000 0.960 304 T HN 0.500 nan 8.240 nan 0.000 0.441 305 W N 1.514 122.722 121.300 -0.154 0.000 2.202 305 W HA 0.516 5.176 4.660 -0.000 0.000 0.332 305 W C 0.991 177.356 176.519 -0.256 0.000 1.263 305 W CA -0.354 56.897 57.345 -0.157 0.000 1.223 305 W CB 0.685 30.137 29.460 -0.014 0.000 1.128 305 W HN 0.841 nan 8.180 nan 0.000 0.573 306 A N 1.266 124.013 122.820 -0.121 0.000 2.011 306 A HA 0.259 4.579 4.320 -0.000 0.000 0.204 306 A C 0.731 178.243 177.584 -0.120 0.000 1.520 306 A CA 1.249 52.979 52.037 -0.511 0.000 0.819 306 A CB -0.338 18.000 19.000 -1.103 0.000 1.087 306 A HN 0.499 nan 8.150 nan 0.000 0.526 307 T N -4.762 109.812 114.554 0.033 0.000 2.742 307 T HA 0.358 4.708 4.350 -0.000 0.000 0.282 307 T C 0.278 175.102 174.700 0.206 0.000 1.025 307 T CA -0.289 61.879 62.100 0.115 0.000 1.020 307 T CB 0.904 69.831 68.868 0.097 0.000 1.317 307 T HN 0.034 nan 8.240 nan 0.000 0.538 308 Q N 0.311 120.205 119.800 0.157 0.000 2.248 308 Q HA -0.075 4.265 4.340 -0.000 0.000 0.208 308 Q C 1.072 177.224 176.000 0.253 0.000 0.984 308 Q CA 1.656 57.550 55.803 0.152 0.000 0.875 308 Q CB -0.115 28.700 28.738 0.127 0.000 0.910 308 Q HN 0.807 nan 8.270 nan 0.000 0.433 309 E N -0.185 120.179 120.200 0.275 0.000 2.660 309 E HA 0.162 4.512 4.350 -0.000 0.000 0.216 309 E C -0.031 176.763 176.600 0.324 0.000 0.986 309 E CA -0.189 56.364 56.400 0.255 0.000 1.037 309 E CB 0.943 30.743 29.700 0.167 0.000 1.041 309 E HN 0.018 nan 8.360 nan 0.000 0.480 310 R N 1.522 122.257 120.500 0.391 0.000 2.538 310 R HA 0.452 4.792 4.340 -0.000 0.000 0.292 310 R C -1.405 174.898 176.300 0.006 0.000 1.008 310 R CA -0.347 55.885 56.100 0.220 0.000 0.896 310 R CB 0.996 31.329 30.300 0.055 0.000 1.187 310 R HN -0.073 nan 8.270 nan 0.000 0.440 311 I N 1.739 122.159 120.570 -0.250 0.000 2.693 311 I HA 0.370 4.540 4.170 -0.000 0.000 0.303 311 I C -0.227 175.591 176.117 -0.499 0.000 1.025 311 I CA -0.965 59.921 61.300 -0.690 0.000 1.086 311 I CB 2.226 39.506 38.000 -1.200 0.000 1.268 311 I HN 0.512 nan 8.210 nan 0.000 0.440 312 S N 5.882 121.251 115.700 -0.552 0.000 2.552 312 S HA 0.686 5.156 4.470 -0.000 0.000 0.314 312 S C -1.041 173.246 174.600 -0.522 0.000 1.099 312 S CA -0.578 57.378 58.200 -0.407 0.000 1.070 312 S CB 0.513 63.554 63.200 -0.266 0.000 0.998 312 S HN 0.476 nan 8.310 nan 0.000 0.474 313 L N 4.526 125.456 121.223 -0.488 0.000 2.356 313 L HA 0.533 4.873 4.340 -0.000 0.000 0.277 313 L C -0.219 176.376 176.870 -0.458 0.000 0.996 313 L CA -0.560 53.890 54.840 -0.649 0.000 0.822 313 L CB 1.999 43.623 42.059 -0.725 0.000 1.256 313 L HN 0.615 nan 8.230 nan 0.000 0.413 314 Q N 2.360 121.877 119.800 -0.472 0.000 2.347 314 Q HA 0.322 4.662 4.340 -0.000 0.000 0.262 314 Q C -1.441 174.379 176.000 -0.300 0.000 0.980 314 Q CA -0.480 55.159 55.803 -0.274 0.000 0.867 314 Q CB 1.834 30.456 28.738 -0.193 0.000 1.242 314 Q HN 0.419 nan 8.270 nan 0.000 0.453 315 W N 2.636 123.862 121.300 -0.124 0.000 2.415 315 W HA 0.614 5.274 4.660 -0.000 0.000 0.355 315 W C -0.657 175.857 176.519 -0.009 0.000 1.161 315 W CA -0.630 56.681 57.345 -0.056 0.000 1.315 315 W CB 0.852 30.246 29.460 -0.109 0.000 1.261 315 W HN 0.376 nan 8.180 nan 0.000 0.636 316 L N 1.718 123.151 121.223 0.351 0.000 2.562 316 L HA 0.441 4.781 4.340 -0.000 0.000 0.266 316 L C -0.355 176.689 176.870 0.290 0.000 0.949 316 L CA -1.193 53.810 54.840 0.272 0.000 0.879 316 L CB 1.279 43.486 42.059 0.248 0.000 1.278 316 L HN 0.408 nan 8.230 nan 0.000 0.404 317 R N 2.685 123.323 120.500 0.230 0.000 2.698 317 R HA 0.119 4.459 4.340 -0.000 0.000 0.266 317 R C 1.224 177.579 176.300 0.091 0.000 1.026 317 R CA 0.232 56.426 56.100 0.157 0.000 1.102 317 R CB 0.558 30.966 30.300 0.180 0.000 0.978 317 R HN 0.711 nan 8.270 nan 0.000 0.436 318 R N 2.360 122.804 120.500 -0.094 0.000 2.091 318 R HA -0.112 4.228 4.340 -0.000 0.000 0.238 318 R C 0.391 176.752 176.300 0.102 0.000 1.136 318 R CA 1.319 57.334 56.100 -0.142 0.000 0.959 318 R CB -0.061 30.113 30.300 -0.211 0.000 0.856 318 R HN 0.507 nan 8.270 nan 0.000 0.437 319 I N 2.427 123.038 120.570 0.068 0.000 2.389 319 I HA -0.034 4.136 4.170 -0.000 0.000 0.295 319 I C 0.528 176.712 176.117 0.111 0.000 1.117 319 I CA 0.384 61.730 61.300 0.076 0.000 1.317 319 I CB 1.068 39.097 38.000 0.048 0.000 1.431 319 I HN 0.174 nan 8.210 nan 0.000 0.521 320 Q N 4.066 123.931 119.800 0.109 0.000 2.271 320 Q HA -0.066 4.274 4.340 -0.000 0.000 0.206 320 Q C 1.063 177.152 176.000 0.148 0.000 0.860 320 Q CA 0.014 55.896 55.803 0.132 0.000 0.991 320 Q CB -0.234 28.538 28.738 0.058 0.000 1.232 320 Q HN 0.535 nan 8.270 nan 0.000 0.410 321 N N -0.598 118.192 118.700 0.150 0.000 2.409 321 N HA -0.036 4.703 4.740 -0.000 0.000 0.174 321 N C -1.023 174.607 175.510 0.199 0.000 1.037 321 N CA 0.549 53.685 53.050 0.143 0.000 0.898 321 N CB 0.522 39.082 38.487 0.121 0.000 1.010 321 N HN 0.275 nan 8.380 nan 0.000 0.445 322 Y N -0.083 120.248 120.300 0.052 0.000 2.386 322 Y HA 0.466 5.016 4.550 -0.000 0.000 0.334 322 Y C -1.077 174.860 175.900 0.062 0.000 1.002 322 Y CA -1.065 57.062 58.100 0.045 0.000 1.068 322 Y CB 1.478 39.954 38.460 0.028 0.000 1.203 322 Y HN -0.187 nan 8.280 nan 0.000 0.443 323 S N 5.354 120.848 115.700 -0.343 0.000 2.571 323 S HA 0.840 5.310 4.470 -0.000 0.000 0.284 323 S C -2.179 172.234 174.600 -0.311 0.000 1.128 323 S CA -0.487 57.598 58.200 -0.191 0.000 0.970 323 S CB 1.138 64.299 63.200 -0.063 0.000 1.039 323 S HN 0.509 nan 8.310 nan 0.000 0.485 324 V N 5.569 125.393 119.914 -0.149 0.000 2.555 324 V HA 0.584 4.704 4.120 -0.000 0.000 0.302 324 V C -0.087 176.001 176.094 -0.009 0.000 1.038 324 V CA -0.761 61.480 62.300 -0.100 0.000 0.887 324 V CB 1.741 33.531 31.823 -0.055 0.000 0.991 324 V HN 0.986 nan 8.190 nan 0.000 0.434 325 M N 3.738 123.325 119.600 -0.022 0.000 2.205 325 M HA 0.560 5.040 4.480 -0.000 0.000 0.344 325 M C -1.411 174.887 176.300 -0.004 0.000 1.085 325 M CA -0.258 55.016 55.300 -0.043 0.000 1.001 325 M CB 1.286 33.822 32.600 -0.107 0.000 1.626 325 M HN 0.610 nan 8.290 nan 0.000 0.442 326 D N 5.105 125.498 120.400 -0.012 0.000 2.256 326 D HA 0.522 5.162 4.640 -0.000 0.000 0.246 326 D C -1.243 175.025 176.300 -0.054 0.000 1.042 326 D CA -0.092 53.907 54.000 -0.002 0.000 0.841 326 D CB 1.679 42.521 40.800 0.069 0.000 1.223 326 D HN 0.636 nan 8.370 nan 0.000 0.470 327 I N 2.960 123.520 120.570 -0.016 0.000 2.382 327 I HA 0.286 4.456 4.170 -0.000 0.000 0.285 327 I C -0.598 175.524 176.117 0.009 0.000 1.007 327 I CA -0.522 60.769 61.300 -0.016 0.000 1.142 327 I CB 1.187 39.222 38.000 0.059 0.000 1.289 327 I HN 0.223 nan 8.210 nan 0.000 0.453 328 c N 4.262 122.863 118.600 0.002 0.000 2.319 328 c HA 0.487 5.057 4.570 -0.000 0.000 0.323 328 c C -0.205 174.040 174.090 0.257 0.000 1.277 328 c CA -0.983 55.422 56.329 0.127 0.000 1.517 328 c CB 0.562 43.157 42.510 0.142 0.000 2.206 328 c HN 0.583 nan 8.230 nan 0.000 0.486 329 D N 0.668 121.177 120.400 0.182 0.000 2.229 329 D HA 0.246 4.886 4.640 -0.000 0.000 0.249 329 D C -0.599 175.597 176.300 -0.173 0.000 1.027 329 D CA -0.105 53.941 54.000 0.078 0.000 0.923 329 D CB 1.117 41.919 40.800 0.003 0.000 1.174 329 D HN 0.621 nan 8.370 nan 0.000 0.443 330 Y N 0.890 120.758 120.300 -0.719 0.000 2.304 330 Y HA 0.212 4.762 4.550 -0.000 0.000 0.328 330 Y C -0.343 175.233 175.900 -0.539 0.000 1.123 330 Y CA -0.546 56.814 58.100 -1.234 0.000 1.218 330 Y CB 1.017 38.624 38.460 -1.422 0.000 1.207 330 Y HN 0.104 nan 8.280 nan 0.000 0.495 331 D N 5.496 125.132 120.400 -1.273 0.000 2.454 331 D HA 0.066 4.706 4.640 -0.000 0.000 0.225 331 D C 0.973 176.686 176.300 -0.978 0.000 1.081 331 D CA -0.262 53.239 54.000 -0.831 0.000 0.864 331 D CB 0.701 41.221 40.800 -0.468 0.000 1.040 331 D HN 0.772 nan 8.370 nan 0.000 0.517 332 E N 2.867 122.697 120.200 -0.616 0.000 2.065 332 E HA -0.288 4.062 4.350 -0.000 0.000 0.201 332 E C 1.132 177.612 176.600 -0.199 0.000 1.016 332 E CA 2.102 58.328 56.400 -0.291 0.000 0.818 332 E CB -0.611 29.045 29.700 -0.074 0.000 0.749 332 E HN 0.404 nan 8.360 nan 0.000 0.453 333 S N 1.580 117.176 115.700 -0.173 0.000 2.349 333 S HA -0.188 4.281 4.470 -0.000 0.000 0.216 333 S C 2.436 176.973 174.600 -0.105 0.000 1.033 333 S CA 2.145 60.282 58.200 -0.104 0.000 1.021 333 S CB -1.114 62.036 63.200 -0.082 0.000 0.968 333 S HN 0.532 nan 8.310 nan 0.000 0.426 334 S N 1.227 116.842 115.700 -0.142 0.000 2.507 334 S HA 0.226 4.696 4.470 -0.000 0.000 0.235 334 S C 1.818 176.374 174.600 -0.073 0.000 0.988 334 S CA 0.992 59.135 58.200 -0.096 0.000 0.944 334 S CB -1.305 61.840 63.200 -0.091 0.000 0.762 334 S HN 1.732 nan 8.310 nan 0.000 0.526 335 G N 1.344 110.056 108.800 -0.146 0.000 2.186 335 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.266 335 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.266 335 G C 0.272 175.247 174.900 0.124 0.000 0.982 335 G CA 0.609 45.733 45.100 0.041 0.000 0.670 335 G HN 0.563 nan 8.290 nan 0.000 0.533 336 R N -1.538 118.926 120.500 -0.060 0.000 2.608 336 R HA 0.655 4.995 4.340 -0.000 0.000 0.255 336 R C -0.582 175.659 176.300 -0.099 0.000 1.086 336 R CA -0.826 55.308 56.100 0.056 0.000 1.125 336 R CB 0.508 30.835 30.300 0.046 0.000 1.193 336 R HN 0.201 nan 8.270 nan 0.000 0.553 337 W N 0.470 121.819 121.300 0.081 0.000 2.587 337 W HA 0.401 5.061 4.660 -0.000 0.000 0.324 337 W C -0.193 176.331 176.519 0.007 0.000 1.040 337 W CA -0.430 56.950 57.345 0.057 0.000 1.222 337 W CB 1.264 30.759 29.460 0.058 0.000 1.381 337 W HN 0.211 nan 8.180 nan 0.000 0.483 338 N N 2.391 121.191 118.700 0.167 0.000 2.314 338 N HA 0.420 5.160 4.740 -0.000 0.000 0.294 338 N C -1.592 173.972 175.510 0.091 0.000 1.029 338 N CA -0.514 52.591 53.050 0.093 0.000 0.845 338 N CB 1.767 40.265 38.487 0.018 0.000 1.321 338 N HN 0.235 nan 8.380 nan 0.000 0.481 339 c N 2.687 121.324 118.600 0.062 0.000 2.250 339 c HA 0.338 4.908 4.570 -0.000 0.000 0.319 339 c C 0.304 174.399 174.090 0.008 0.000 1.124 339 c CA -1.046 55.304 56.329 0.036 0.000 1.527 339 c CB -1.264 41.260 42.510 0.024 0.000 2.001 339 c HN 0.498 nan 8.230 nan 0.000 0.435 340 L N 3.114 124.341 121.223 0.007 0.000 2.601 340 L HA -0.014 4.326 4.340 -0.000 0.000 0.277 340 L C 1.591 178.447 176.870 -0.023 0.000 1.219 340 L CA 0.494 55.330 54.840 -0.008 0.000 0.915 340 L CB -0.214 41.843 42.059 -0.004 0.000 1.160 340 L HN 0.619 nan 8.230 nan 0.000 0.494 341 V N 4.448 124.344 119.914 -0.031 0.000 2.220 341 V HA -0.352 3.768 4.120 -0.000 0.000 0.246 341 V C 2.312 178.373 176.094 -0.055 0.000 1.049 341 V CA 2.079 64.353 62.300 -0.043 0.000 1.003 341 V CB -1.022 30.777 31.823 -0.040 0.000 0.634 341 V HN 1.040 nan 8.190 nan 0.000 0.444 342 A N -0.849 121.943 122.820 -0.048 0.000 2.214 342 A HA -0.302 4.018 4.320 -0.000 0.000 0.221 342 A C 2.283 179.813 177.584 -0.091 0.000 1.167 342 A CA 2.186 54.188 52.037 -0.059 0.000 0.670 342 A CB -0.671 18.306 19.000 -0.038 0.000 0.797 342 A HN 0.544 nan 8.150 nan 0.000 0.477 343 R N -0.986 119.463 120.500 -0.085 0.000 2.362 343 R HA 0.122 4.462 4.340 -0.000 0.000 0.227 343 R C 0.139 176.331 176.300 -0.180 0.000 0.905 343 R CA -0.138 55.904 56.100 -0.097 0.000 1.067 343 R CB 0.146 30.440 30.300 -0.009 0.000 1.078 343 R HN 0.688 nan 8.270 nan 0.000 0.516 344 Q N -0.160 119.536 119.800 -0.173 0.000 2.421 344 Q HA 0.036 4.376 4.340 -0.000 0.000 0.255 344 Q C -0.870 174.950 176.000 -0.300 0.000 1.013 344 Q CA 0.730 56.442 55.803 -0.151 0.000 0.895 344 Q CB 0.799 29.484 28.738 -0.089 0.000 1.271 344 Q HN 0.234 nan 8.270 nan 0.000 0.460 345 H N 0.579 119.643 119.070 -0.009 0.000 2.823 345 H HA 0.408 4.964 4.556 -0.000 0.000 0.332 345 H C -0.968 174.330 175.328 -0.050 0.000 0.980 345 H CA -0.373 55.679 56.048 0.008 0.000 1.286 345 H CB 0.965 30.743 29.762 0.027 0.000 1.541 345 H HN 0.419 nan 8.280 nan 0.000 0.521 346 I N 2.852 123.454 120.570 0.053 0.000 2.392 346 I HA 0.221 4.391 4.170 -0.000 0.000 0.295 346 I C -0.110 175.977 176.117 -0.050 0.000 0.985 346 I CA -0.400 60.843 61.300 -0.094 0.000 1.221 346 I CB 1.394 39.324 38.000 -0.118 0.000 1.366 346 I HN 0.494 nan 8.210 nan 0.000 0.467 347 E N 7.054 127.171 120.200 -0.139 0.000 2.199 347 E HA 0.580 4.930 4.350 -0.000 0.000 0.269 347 E C -0.940 175.606 176.600 -0.089 0.000 0.899 347 E CA -0.675 55.691 56.400 -0.058 0.000 0.772 347 E CB 2.562 32.246 29.700 -0.027 0.000 1.155 347 E HN 0.470 nan 8.360 nan 0.000 0.408 348 M N 0.729 120.337 119.600 0.013 0.000 2.819 348 M HA 0.519 4.999 4.480 -0.000 0.000 0.300 348 M C -0.307 176.020 176.300 0.046 0.000 1.237 348 M CA -0.975 54.372 55.300 0.077 0.000 0.813 348 M CB 2.210 34.888 32.600 0.129 0.000 1.755 348 M HN 0.345 nan 8.290 nan 0.000 0.484 349 S N -0.950 114.773 115.700 0.038 0.000 2.563 349 S HA 0.365 4.835 4.470 -0.000 0.000 0.279 349 S C -0.168 174.412 174.600 -0.034 0.000 1.155 349 S CA -0.545 57.641 58.200 -0.024 0.000 0.928 349 S CB 1.477 64.618 63.200 -0.097 0.000 1.107 349 S HN 0.746 nan 8.310 nan 0.000 0.462 350 T N 2.544 117.072 114.554 -0.043 0.000 3.037 350 T HA 0.057 4.407 4.350 -0.000 0.000 0.252 350 T C 1.698 176.345 174.700 -0.088 0.000 1.073 350 T CA 0.806 62.881 62.100 -0.042 0.000 1.091 350 T CB -0.141 68.715 68.868 -0.020 0.000 0.935 350 T HN 0.593 nan 8.240 nan 0.000 0.488 351 T N 0.679 115.150 114.554 -0.138 0.000 2.896 351 T HA 0.317 4.667 4.350 -0.000 0.000 0.263 351 T C 1.425 175.816 174.700 -0.514 0.000 1.050 351 T CA 1.234 63.220 62.100 -0.191 0.000 1.140 351 T CB -0.106 68.740 68.868 -0.037 0.000 0.877 351 T HN 0.575 nan 8.240 nan 0.000 0.457 352 G N -0.325 107.981 108.800 -0.824 0.000 3.454 352 G HA2 0.453 4.413 3.960 -0.000 0.000 0.162 352 G HA3 0.453 4.413 3.960 -0.000 0.000 0.162 352 G C -1.658 173.037 174.900 -0.341 0.000 1.223 352 G CA -0.294 44.271 45.100 -0.892 0.000 1.394 352 G HN 0.454 nan 8.290 nan 0.000 0.709 353 W N 0.214 121.314 121.300 -0.333 0.000 2.820 353 W HA 0.753 5.413 4.660 -0.000 0.000 0.350 353 W C -0.613 175.889 176.519 -0.028 0.000 1.116 353 W CA -1.444 55.825 57.345 -0.127 0.000 1.146 353 W CB 1.356 30.738 29.460 -0.129 0.000 1.433 353 W HN 0.270 nan 8.180 nan 0.000 0.561 354 V N 4.192 124.214 119.914 0.181 0.000 2.397 354 V HA 0.578 4.698 4.120 -0.000 0.000 0.262 354 V C 0.858 177.048 176.094 0.161 0.000 1.047 354 V CA 0.804 63.164 62.300 0.101 0.000 1.003 354 V CB -0.707 31.165 31.823 0.081 0.000 1.037 354 V HN 1.314 nan 8.190 nan 0.000 0.480 355 G N 5.197 114.053 108.800 0.094 0.000 2.661 355 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.685 355 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.685 355 G C 0.297 175.324 174.900 0.212 0.000 1.298 355 G CA -0.050 45.131 45.100 0.135 0.000 0.855 355 G HN 0.541 nan 8.290 nan 0.000 0.560 356 R N -0.788 119.841 120.500 0.214 0.000 2.070 356 R HA 0.074 4.414 4.340 -0.000 0.000 0.233 356 R C 2.070 178.501 176.300 0.217 0.000 1.137 356 R CA 2.349 58.576 56.100 0.212 0.000 0.945 356 R CB -0.121 30.343 30.300 0.274 0.000 0.845 356 R HN 0.484 nan 8.270 nan 0.000 0.430 357 F N -1.029 119.067 119.950 0.242 0.000 2.640 357 F HA 0.216 4.743 4.527 -0.000 0.000 0.285 357 F C 1.077 176.908 175.800 0.051 0.000 1.031 357 F CA -0.518 57.570 58.000 0.146 0.000 1.240 357 F CB 0.533 39.603 39.000 0.116 0.000 1.011 357 F HN -0.123 nan 8.300 nan 0.000 0.656 358 R N 0.446 121.099 120.500 0.256 0.000 2.950 358 R HA 0.565 4.905 4.340 -0.000 0.000 0.253 358 R C -3.142 173.236 176.300 0.131 0.000 1.168 358 R CA -1.954 54.213 56.100 0.111 0.000 1.014 358 R CB 0.036 30.345 30.300 0.014 0.000 1.228 358 R HN -0.282 nan 8.270 nan 0.000 0.487 359 P HA -0.021 nan 4.420 nan 0.000 0.268 359 P C -0.320 177.016 177.300 0.061 0.000 1.208 359 P CA 0.037 63.173 63.100 0.060 0.000 0.777 359 P CB 0.586 32.295 31.700 0.014 0.000 0.875 360 S N 0.296 116.035 115.700 0.066 0.000 2.624 360 S HA 0.190 4.660 4.470 -0.000 0.000 0.263 360 S C -0.067 174.563 174.600 0.050 0.000 1.287 360 S CA -0.700 57.552 58.200 0.087 0.000 0.990 360 S CB 0.578 63.845 63.200 0.112 0.000 0.950 360 S HN 0.541 nan 8.310 nan 0.000 0.561 361 E N 1.696 121.953 120.200 0.094 0.000 2.174 361 E HA 0.330 4.680 4.350 -0.000 0.000 0.282 361 E C -2.566 174.057 176.600 0.039 0.000 0.992 361 E CA -2.621 53.801 56.400 0.036 0.000 0.803 361 E CB 1.001 30.732 29.700 0.053 0.000 1.090 361 E HN 0.436 nan 8.360 nan 0.000 0.396 362 P HA 0.185 nan 4.420 nan 0.000 0.281 362 P C -1.301 175.963 177.300 -0.059 0.000 1.252 362 P CA -0.216 62.814 63.100 -0.116 0.000 0.778 362 P CB 0.625 32.022 31.700 -0.506 0.000 0.895 363 H N 2.050 121.188 119.070 0.113 0.000 2.511 363 H HA 0.439 4.995 4.556 -0.000 0.000 0.328 363 H C -0.374 175.109 175.328 0.259 0.000 1.044 363 H CA -0.141 56.046 56.048 0.231 0.000 1.212 363 H CB 0.307 30.214 29.762 0.241 0.000 1.428 363 H HN 0.265 nan 8.280 nan 0.000 0.483 364 F N 1.261 121.386 119.950 0.292 0.000 2.399 364 F HA 0.263 4.790 4.527 -0.000 0.000 0.328 364 F C 0.809 176.783 175.800 0.291 0.000 1.084 364 F CA -0.711 57.453 58.000 0.273 0.000 1.053 364 F CB 1.282 40.376 39.000 0.156 0.000 1.209 364 F HN 0.426 nan 8.300 nan 0.000 0.502 365 T N 1.943 116.766 114.554 0.447 0.000 2.898 365 T HA 0.097 4.447 4.350 -0.000 0.000 0.301 365 T C 1.286 176.176 174.700 0.317 0.000 1.049 365 T CA -0.699 61.621 62.100 0.365 0.000 1.095 365 T CB 0.828 69.878 68.868 0.304 0.000 0.976 365 T HN 0.598 nan 8.240 nan 0.000 0.539 366 L N 1.732 123.102 121.223 0.246 0.000 2.010 366 L HA -0.251 4.089 4.340 -0.000 0.000 0.219 366 L C 2.280 179.255 176.870 0.174 0.000 1.077 366 L CA 2.631 57.586 54.840 0.192 0.000 0.773 366 L CB -0.767 41.383 42.059 0.153 0.000 0.892 366 L HN 0.964 nan 8.230 nan 0.000 0.436 367 D N -1.322 119.179 120.400 0.169 0.000 2.310 367 D HA 0.011 4.651 4.640 -0.000 0.000 0.212 367 D C 1.505 177.905 176.300 0.166 0.000 0.965 367 D CA 0.852 54.940 54.000 0.148 0.000 0.879 367 D CB -0.500 40.378 40.800 0.129 0.000 0.921 367 D HN 0.447 nan 8.370 nan 0.000 0.510 368 G N 0.156 109.099 108.800 0.238 0.000 2.198 368 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.257 368 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.257 368 G C 0.623 175.722 174.900 0.333 0.000 1.042 368 G CA 0.293 45.575 45.100 0.305 0.000 0.791 368 G HN 0.406 nan 8.290 nan 0.000 0.502 369 N N -0.250 118.613 118.700 0.272 0.000 2.205 369 N HA 0.174 4.914 4.740 -0.000 0.000 0.201 369 N C 0.664 176.255 175.510 0.136 0.000 1.128 369 N CA 0.968 54.141 53.050 0.206 0.000 0.867 369 N CB 0.614 39.178 38.487 0.128 0.000 0.996 369 N HN 0.770 nan 8.380 nan 0.000 0.503 370 S N -0.136 115.642 115.700 0.131 0.000 2.656 370 S HA 0.782 5.252 4.470 -0.000 0.000 0.273 370 S C -1.045 173.456 174.600 -0.166 0.000 1.168 370 S CA -0.903 57.164 58.200 -0.222 0.000 0.817 370 S CB 1.956 64.902 63.200 -0.424 0.000 1.146 370 S HN 0.139 nan 8.310 nan 0.000 0.475 371 F N -2.429 117.133 119.950 -0.648 0.000 2.744 371 F HA 0.758 5.285 4.527 -0.000 0.000 0.311 371 F C -2.241 173.225 175.800 -0.557 0.000 1.144 371 F CA -1.557 56.047 58.000 -0.660 0.000 0.938 371 F CB 0.395 38.618 39.000 -1.295 0.000 1.292 371 F HN 0.615 nan 8.300 nan 0.000 0.444 372 Y N 1.251 121.620 120.300 0.115 0.000 2.446 372 Y HA 0.719 5.269 4.550 -0.000 0.000 0.338 372 Y C -0.218 175.804 175.900 0.203 0.000 1.055 372 Y CA -0.875 57.306 58.100 0.135 0.000 1.101 372 Y CB 2.159 40.693 38.460 0.123 0.000 1.221 372 Y HN 0.776 nan 8.280 nan 0.000 0.460 373 K N 2.544 123.143 120.400 0.332 0.000 2.569 373 K HA 0.438 4.758 4.320 -0.000 0.000 0.259 373 K C -1.979 174.759 176.600 0.229 0.000 0.932 373 K CA -0.577 55.861 56.287 0.252 0.000 0.833 373 K CB 1.361 33.928 32.500 0.113 0.000 1.340 373 K HN 0.758 nan 8.250 nan 0.000 0.429 374 I N 4.926 125.604 120.570 0.180 0.000 2.494 374 I HA 0.120 4.290 4.170 -0.000 0.000 0.289 374 I C -0.111 176.109 176.117 0.171 0.000 1.106 374 I CA -0.293 61.100 61.300 0.155 0.000 1.369 374 I CB 0.258 38.329 38.000 0.119 0.000 1.410 374 I HN 0.389 nan 8.210 nan 0.000 0.523 375 I N 5.198 125.908 120.570 0.232 0.000 2.569 375 I HA 0.194 4.364 4.170 -0.000 0.000 0.296 375 I C 0.370 176.624 176.117 0.229 0.000 1.028 375 I CA -0.581 60.868 61.300 0.249 0.000 1.082 375 I CB 1.928 40.119 38.000 0.319 0.000 1.264 375 I HN 0.428 nan 8.210 nan 0.000 0.429 376 S N 6.299 122.073 115.700 0.122 0.000 2.531 376 S HA 0.202 4.672 4.470 -0.000 0.000 0.279 376 S C 0.274 174.905 174.600 0.052 0.000 1.305 376 S CA -0.451 57.766 58.200 0.028 0.000 1.058 376 S CB -0.064 63.109 63.200 -0.045 0.000 0.899 376 S HN 0.781 nan 8.310 nan 0.000 0.493 377 N N 3.222 121.860 118.700 -0.103 0.000 2.431 377 N HA 0.205 4.945 4.740 -0.000 0.000 0.289 377 N C 0.634 176.048 175.510 -0.161 0.000 1.277 377 N CA -0.794 52.070 53.050 -0.310 0.000 0.972 377 N CB 0.326 38.267 38.487 -0.910 0.000 1.143 377 N HN 0.698 nan 8.380 nan 0.000 0.578 378 E N -0.257 119.832 120.200 -0.185 0.000 2.160 378 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 378 E C 0.399 176.954 176.600 -0.076 0.000 0.991 378 E CA 1.358 57.702 56.400 -0.094 0.000 0.810 378 E CB -0.006 29.641 29.700 -0.087 0.000 0.742 378 E HN 0.556 nan 8.360 nan 0.000 0.466 379 E N -0.852 119.302 120.200 -0.075 0.000 2.403 379 E HA 0.122 4.472 4.350 -0.000 0.000 0.188 379 E C 0.774 177.386 176.600 0.019 0.000 1.056 379 E CA 0.464 56.871 56.400 0.011 0.000 0.892 379 E CB 0.435 30.163 29.700 0.047 0.000 1.049 379 E HN 0.346 nan 8.360 nan 0.000 0.465 380 G N 0.002 108.747 108.800 -0.091 0.000 2.189 380 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.267 380 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.267 380 G C -0.170 174.535 174.900 -0.324 0.000 0.975 380 G CA 0.303 45.268 45.100 -0.226 0.000 0.644 380 G HN 0.338 nan 8.290 nan 0.000 0.537 381 Y N 1.171 121.354 120.300 -0.195 0.000 2.308 381 Y HA 0.522 5.072 4.550 -0.000 0.000 0.329 381 Y C 1.386 177.148 175.900 -0.230 0.000 1.111 381 Y CA -0.825 57.148 58.100 -0.212 0.000 1.179 381 Y CB 0.758 39.103 38.460 -0.192 0.000 1.201 381 Y HN 0.048 nan 8.280 nan 0.000 0.483 382 R N 3.919 124.329 120.500 -0.150 0.000 2.288 382 R HA 0.206 4.546 4.340 -0.000 0.000 0.330 382 R C -1.032 175.028 176.300 -0.401 0.000 1.069 382 R CA -0.052 55.952 56.100 -0.160 0.000 0.941 382 R CB -0.145 30.104 30.300 -0.085 0.000 0.998 382 R HN 0.798 nan 8.270 nan 0.000 0.452 383 H N 0.466 119.481 119.070 -0.091 0.000 2.908 383 H HA 0.446 5.002 4.556 -0.000 0.000 0.350 383 H C -0.172 175.192 175.328 0.060 0.000 1.217 383 H CA -0.828 55.140 56.048 -0.133 0.000 1.168 383 H CB 1.544 31.129 29.762 -0.296 0.000 1.891 383 H HN 0.343 nan 8.280 nan 0.000 0.566 384 I N 0.943 121.590 120.570 0.128 0.000 2.395 384 I HA 0.162 4.332 4.170 -0.000 0.000 0.289 384 I C -0.424 175.739 176.117 0.077 0.000 1.023 384 I CA 0.011 61.348 61.300 0.062 0.000 1.350 384 I CB 0.562 38.495 38.000 -0.113 0.000 1.409 384 I HN 0.272 nan 8.210 nan 0.000 0.507 385 c N 6.461 125.083 118.600 0.038 0.000 2.408 385 c HA 0.375 4.945 4.570 -0.000 0.000 0.321 385 c C -0.467 173.578 174.090 -0.075 0.000 1.245 385 c CA -0.573 55.606 56.329 -0.249 0.000 1.523 385 c CB 0.794 42.981 42.510 -0.537 0.000 2.178 385 c HN 0.626 nan 8.230 nan 0.000 0.488 386 Y N 4.975 125.038 120.300 -0.395 0.000 2.425 386 Y HA 0.609 5.159 4.550 -0.000 0.000 0.347 386 Y C -0.864 174.645 175.900 -0.650 0.000 0.976 386 Y CA -0.482 57.340 58.100 -0.463 0.000 1.190 386 Y CB 0.024 38.288 38.460 -0.326 0.000 1.136 386 Y HN 0.586 nan 8.280 nan 0.000 0.517 387 F N 3.726 122.926 119.950 -1.250 0.000 2.458 387 F HA 0.495 5.022 4.527 -0.000 0.000 0.330 387 F C -0.267 174.717 175.800 -1.360 0.000 1.082 387 F CA -0.921 56.311 58.000 -1.280 0.000 0.995 387 F CB 1.587 39.523 39.000 -1.774 0.000 1.170 387 F HN 0.336 nan 8.300 nan 0.000 0.478 388 Q N 3.070 122.498 119.800 -0.621 0.000 2.316 388 Q HA 0.402 4.742 4.340 -0.000 0.000 0.264 388 Q C 0.925 176.886 176.000 -0.066 0.000 0.987 388 Q CA -0.600 54.969 55.803 -0.391 0.000 0.852 388 Q CB 2.760 31.337 28.738 -0.268 0.000 1.287 388 Q HN 0.744 nan 8.270 nan 0.000 0.448 389 I N 1.285 121.893 120.570 0.064 0.000 2.113 389 I HA -0.322 3.847 4.170 -0.000 0.000 0.242 389 I C 1.005 177.249 176.117 0.212 0.000 1.064 389 I CA 1.619 63.084 61.300 0.275 0.000 1.320 389 I CB 0.184 38.347 38.000 0.271 0.000 1.028 389 I HN 0.673 nan 8.210 nan 0.000 0.406 390 D N 0.433 120.894 120.400 0.103 0.000 2.342 390 D HA 0.051 4.691 4.640 -0.000 0.000 0.221 390 D C 0.465 176.784 176.300 0.032 0.000 1.101 390 D CA 0.297 54.331 54.000 0.056 0.000 0.837 390 D CB 0.417 41.240 40.800 0.039 0.000 0.938 390 D HN 0.242 nan 8.370 nan 0.000 0.508 391 K N 0.311 120.737 120.400 0.043 0.000 2.502 391 K HA 0.366 4.686 4.320 -0.000 0.000 0.252 391 K C 1.015 177.661 176.600 0.077 0.000 1.043 391 K CA -0.460 55.839 56.287 0.021 0.000 0.999 391 K CB 0.919 33.402 32.500 -0.028 0.000 1.343 391 K HN -0.179 nan 8.250 nan 0.000 0.513 392 K N -0.509 119.923 120.400 0.052 0.000 2.544 392 K HA 0.245 4.565 4.320 -0.000 0.000 0.213 392 K C -0.313 176.341 176.600 0.089 0.000 1.392 392 K CA 0.049 56.392 56.287 0.092 0.000 0.980 392 K CB 0.274 32.776 32.500 0.005 0.000 1.177 392 K HN 0.330 nan 8.250 nan 0.000 0.570 393 D N 0.200 120.574 120.400 -0.043 0.000 2.539 393 D HA 0.507 5.147 4.640 -0.000 0.000 0.276 393 D C -0.274 175.765 176.300 -0.435 0.000 1.206 393 D CA -0.541 53.360 54.000 -0.165 0.000 1.081 393 D CB 1.125 41.841 40.800 -0.140 0.000 1.142 393 D HN 0.365 nan 8.370 nan 0.000 0.595 394 c N -2.139 116.079 118.600 -0.637 0.000 3.154 394 c HA 0.844 5.414 4.570 -0.000 0.000 0.312 394 c C -0.829 172.863 174.090 -0.663 0.000 1.349 394 c CA -0.605 55.161 56.329 -0.938 0.000 1.518 394 c CB 1.285 42.644 42.510 -1.918 0.000 1.934 394 c HN 0.483 nan 8.230 nan 0.000 0.462 395 T N 1.790 115.995 114.554 -0.581 0.000 2.792 395 T HA 0.561 4.911 4.350 -0.000 0.000 0.280 395 T C -0.862 173.591 174.700 -0.411 0.000 0.990 395 T CA 0.155 62.062 62.100 -0.322 0.000 0.960 395 T CB 0.439 69.258 68.868 -0.080 0.000 0.939 395 T HN 0.469 nan 8.240 nan 0.000 0.439 396 F N 2.307 122.160 119.950 -0.162 0.000 2.412 396 F HA 0.395 4.922 4.527 -0.000 0.000 0.348 396 F C 1.305 176.972 175.800 -0.222 0.000 1.102 396 F CA -0.650 57.240 58.000 -0.184 0.000 1.196 396 F CB 0.599 39.489 39.000 -0.183 0.000 1.144 396 F HN 0.531 nan 8.300 nan 0.000 0.541 397 I N 0.587 121.095 120.570 -0.103 0.000 4.187 397 I HA 0.038 4.208 4.170 -0.000 0.000 0.326 397 I C 0.193 176.193 176.117 -0.195 0.000 1.302 397 I CA 0.360 61.451 61.300 -0.349 0.000 1.196 397 I CB 0.366 38.015 38.000 -0.585 0.000 1.095 397 I HN 0.653 nan 8.210 nan 0.000 0.411 398 T N -0.643 113.818 114.554 -0.155 0.000 2.903 398 T HA 0.693 5.043 4.350 -0.000 0.000 0.299 398 T C -0.682 173.632 174.700 -0.643 0.000 1.093 398 T CA -0.786 61.176 62.100 -0.229 0.000 1.002 398 T CB 2.644 71.461 68.868 -0.085 0.000 1.127 398 T HN 0.097 nan 8.240 nan 0.000 0.488 399 K N -0.173 119.669 120.400 -0.930 0.000 2.499 399 K HA 0.932 5.252 4.320 -0.000 0.000 0.277 399 K C -0.196 175.664 176.600 -1.234 0.000 1.025 399 K CA -1.026 54.516 56.287 -1.242 0.000 0.900 399 K CB 1.428 33.585 32.500 -0.572 0.000 1.494 399 K HN 1.422 nan 8.250 nan 0.000 0.442 400 G N -0.653 107.583 108.800 -0.941 0.000 2.353 400 G HA2 0.043 4.003 3.960 -0.000 0.000 0.424 400 G HA3 0.043 4.003 3.960 -0.000 0.000 0.424 400 G C -1.032 173.376 174.900 -0.819 0.000 1.320 400 G CA -0.552 44.139 45.100 -0.681 0.000 0.995 400 G HN 0.483 nan 8.290 nan 0.000 0.580 401 T N 2.219 116.453 114.554 -0.533 0.000 3.218 401 T HA 0.511 4.861 4.350 -0.000 0.000 0.241 401 T C -0.282 174.340 174.700 -0.130 0.000 0.929 401 T CA 0.497 62.219 62.100 -0.630 0.000 0.979 401 T CB -0.897 67.784 68.868 -0.312 0.000 1.129 401 T HN 0.717 nan 8.240 nan 0.000 0.559 402 W N -0.335 120.862 121.300 -0.170 0.000 2.959 402 W HA 0.652 5.312 4.660 -0.000 0.000 0.358 402 W C -1.353 175.151 176.519 -0.026 0.000 1.228 402 W CA -0.981 56.365 57.345 0.003 0.000 1.183 402 W CB 0.753 30.204 29.460 -0.015 0.000 1.467 402 W HN -0.082 nan 8.180 nan 0.000 0.578 403 E N 0.652 120.985 120.200 0.222 0.000 2.343 403 E HA 0.453 4.803 4.350 -0.000 0.000 0.270 403 E C -1.206 175.444 176.600 0.084 0.000 0.895 403 E CA -1.106 55.226 56.400 -0.112 0.000 0.767 403 E CB 3.427 33.151 29.700 0.041 0.000 1.248 403 E HN 0.185 nan 8.360 nan 0.000 0.440 404 V N 3.592 123.426 119.914 -0.132 0.000 2.432 404 V HA 0.048 4.168 4.120 -0.000 0.000 0.271 404 V C 0.925 177.084 176.094 0.108 0.000 1.046 404 V CA 0.146 62.484 62.300 0.063 0.000 0.945 404 V CB 0.712 32.480 31.823 -0.093 0.000 0.992 404 V HN 0.676 nan 8.190 nan 0.000 0.471 405 I N 3.415 124.073 120.570 0.147 0.000 2.400 405 I HA 0.267 4.437 4.170 -0.000 0.000 0.248 405 I C 1.236 177.440 176.117 0.144 0.000 1.109 405 I CA 1.254 62.623 61.300 0.115 0.000 1.425 405 I CB -0.151 37.842 38.000 -0.012 0.000 1.094 405 I HN 0.788 nan 8.210 nan 0.000 0.425 406 G N -0.337 108.554 108.800 0.152 0.000 2.702 406 G HA2 0.501 4.461 3.960 -0.000 0.000 0.296 406 G HA3 0.501 4.461 3.960 -0.000 0.000 0.296 406 G C -1.261 173.715 174.900 0.128 0.000 1.463 406 G CA -0.603 44.585 45.100 0.147 0.000 0.890 406 G HN -0.070 nan 8.290 nan 0.000 0.534 407 I N 1.900 122.480 120.570 0.015 0.000 2.379 407 I HA 0.182 4.351 4.170 -0.000 0.000 0.290 407 I C 0.744 176.761 176.117 -0.166 0.000 1.063 407 I CA -0.395 60.805 61.300 -0.168 0.000 1.351 407 I CB 1.494 39.158 38.000 -0.561 0.000 1.410 407 I HN 0.460 nan 8.210 nan 0.000 0.505 408 E N 5.155 125.337 120.200 -0.030 0.000 2.364 408 E HA 0.335 4.684 4.350 -0.000 0.000 0.196 408 E C 0.098 176.620 176.600 -0.129 0.000 0.990 408 E CA 0.128 56.544 56.400 0.028 0.000 0.886 408 E CB 0.729 30.525 29.700 0.160 0.000 0.866 408 E HN 0.673 nan 8.360 nan 0.000 0.493 409 A N 0.529 123.192 122.820 -0.262 0.000 2.585 409 A HA 0.513 4.832 4.320 -0.000 0.000 0.299 409 A C -1.978 175.523 177.584 -0.138 0.000 1.047 409 A CA -0.749 51.048 52.037 -0.399 0.000 0.723 409 A CB 0.750 18.928 19.000 -1.371 0.000 1.275 409 A HN 0.044 nan 8.150 nan 0.000 0.408 410 L N 1.638 122.848 121.223 -0.022 0.000 2.401 410 L HA 0.983 5.323 4.340 -0.000 0.000 0.266 410 L C -0.010 176.927 176.870 0.112 0.000 0.991 410 L CA 0.625 55.508 54.840 0.071 0.000 0.818 410 L CB 2.384 44.533 42.059 0.149 0.000 1.321 410 L HN 1.440 nan 8.230 nan 0.000 0.413 411 T N -0.645 113.988 114.554 0.131 0.000 2.812 411 T HA 0.307 4.657 4.350 -0.000 0.000 0.294 411 T C 0.743 175.489 174.700 0.077 0.000 1.159 411 T CA 0.037 62.211 62.100 0.123 0.000 1.008 411 T CB 1.015 69.982 68.868 0.165 0.000 1.289 411 T HN 0.748 nan 8.240 nan 0.000 0.514 412 S N -0.161 115.570 115.700 0.052 0.000 2.423 412 S HA -0.180 4.290 4.470 -0.000 0.000 0.238 412 S C 0.826 175.377 174.600 -0.082 0.000 1.028 412 S CA 2.105 60.313 58.200 0.014 0.000 1.000 412 S CB -0.758 62.447 63.200 0.008 0.000 0.797 412 S HN 0.701 nan 8.310 nan 0.000 0.487 413 D N -1.703 118.571 120.400 -0.210 0.000 2.531 413 D HA 0.240 4.880 4.640 -0.000 0.000 0.263 413 D C -0.642 175.280 176.300 -0.629 0.000 1.057 413 D CA 0.442 54.116 54.000 -0.544 0.000 0.909 413 D CB 0.360 40.588 40.800 -0.952 0.000 1.236 413 D HN 0.417 nan 8.370 nan 0.000 0.494 414 Y N 0.460 120.736 120.300 -0.040 0.000 2.462 414 Y HA 0.511 5.061 4.550 -0.000 0.000 0.346 414 Y C -0.269 175.515 175.900 -0.193 0.000 0.976 414 Y CA -0.873 57.118 58.100 -0.182 0.000 1.044 414 Y CB 2.078 40.362 38.460 -0.293 0.000 1.230 414 Y HN -0.247 nan 8.280 nan 0.000 0.455 415 L N 2.901 124.041 121.223 -0.139 0.000 2.331 415 L HA 0.661 5.001 4.340 -0.000 0.000 0.275 415 L C -1.713 175.002 176.870 -0.258 0.000 1.022 415 L CA -0.758 53.978 54.840 -0.174 0.000 0.812 415 L CB 1.292 43.158 42.059 -0.322 0.000 1.257 415 L HN 0.648 nan 8.230 nan 0.000 0.435 416 Y N 3.251 123.467 120.300 -0.139 0.000 2.442 416 Y HA 0.542 5.092 4.550 -0.000 0.000 0.344 416 Y C -0.692 175.183 175.900 -0.042 0.000 0.976 416 Y CA -0.563 57.436 58.100 -0.168 0.000 1.040 416 Y CB 1.712 39.952 38.460 -0.367 0.000 1.228 416 Y HN 0.509 nan 8.280 nan 0.000 0.451 417 Y N -0.189 120.161 120.300 0.083 0.000 2.705 417 Y HA 0.866 5.416 4.550 -0.000 0.000 0.332 417 Y C -1.961 174.011 175.900 0.120 0.000 1.221 417 Y CA -1.953 56.188 58.100 0.068 0.000 1.059 417 Y CB 1.355 39.837 38.460 0.037 0.000 1.298 417 Y HN 0.402 nan 8.280 nan 0.000 0.459 418 I N 2.675 123.434 120.570 0.316 0.000 2.465 418 I HA 0.635 4.805 4.170 -0.000 0.000 0.291 418 I C -0.641 175.682 176.117 0.342 0.000 1.014 418 I CA -0.605 60.816 61.300 0.202 0.000 1.093 418 I CB 2.150 40.191 38.000 0.069 0.000 1.267 418 I HN 0.856 nan 8.210 nan 0.000 0.431 419 S N 3.625 119.520 115.700 0.325 0.000 2.685 419 S HA 0.418 4.888 4.470 -0.000 0.000 0.282 419 S C -0.528 174.169 174.600 0.161 0.000 1.159 419 S CA -0.965 57.419 58.200 0.307 0.000 0.833 419 S CB 1.763 65.198 63.200 0.392 0.000 1.151 419 S HN 0.764 nan 8.310 nan 0.000 0.485 420 N N -0.475 118.314 118.700 0.147 0.000 2.453 420 N HA 0.169 4.909 4.740 -0.000 0.000 0.270 420 N C 0.620 176.148 175.510 0.029 0.000 1.195 420 N CA -0.473 52.617 53.050 0.067 0.000 0.902 420 N CB 0.467 38.974 38.487 0.035 0.000 1.186 420 N HN 0.737 nan 8.380 nan 0.000 0.510 421 E N 0.586 120.669 120.200 -0.194 0.000 2.072 421 E HA -0.177 4.173 4.350 -0.000 0.000 0.190 421 E C -0.288 176.191 176.600 -0.201 0.000 0.982 421 E CA 0.393 56.410 56.400 -0.640 0.000 0.803 421 E CB 0.032 28.687 29.700 -1.742 0.000 0.755 421 E HN 0.427 nan 8.360 nan 0.000 0.453 422 Y N 2.212 122.445 120.300 -0.111 0.000 2.802 422 Y HA -0.147 4.403 4.550 -0.000 0.000 0.333 422 Y C 0.503 176.373 175.900 -0.051 0.000 1.244 422 Y CA 0.848 58.913 58.100 -0.058 0.000 1.558 422 Y CB -0.074 38.355 38.460 -0.051 0.000 1.233 422 Y HN 0.077 nan 8.280 nan 0.000 0.547 423 K N 3.414 123.555 120.400 -0.433 0.000 3.274 423 K HA -0.261 4.059 4.320 -0.000 0.000 0.305 423 K C 0.909 177.442 176.600 -0.113 0.000 1.225 423 K CA 0.857 56.935 56.287 -0.347 0.000 0.904 423 K CB -1.739 30.481 32.500 -0.466 0.000 1.227 423 K HN 1.272 nan 8.250 nan 0.000 0.453 424 G N 0.626 109.383 108.800 -0.072 0.000 2.179 424 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.257 424 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.257 424 G C 0.075 174.976 174.900 0.001 0.000 1.010 424 G CA 0.649 45.755 45.100 0.010 0.000 0.736 424 G HN 0.304 nan 8.290 nan 0.000 0.513 425 M N 1.100 120.644 119.600 -0.093 0.000 2.497 425 M HA 0.163 4.643 4.480 -0.000 0.000 0.336 425 M C -0.882 175.197 176.300 -0.369 0.000 1.378 425 M CA -1.479 53.629 55.300 -0.320 0.000 1.375 425 M CB 0.761 33.240 32.600 -0.201 0.000 1.337 425 M HN -0.034 nan 8.290 nan 0.000 0.461 426 P HA -0.121 nan 4.420 nan 0.000 0.221 426 P C 1.126 178.280 177.300 -0.243 0.000 1.145 426 P CA 1.264 64.200 63.100 -0.273 0.000 0.795 426 P CB 0.029 31.569 31.700 -0.267 0.000 0.775 427 G N -0.763 107.804 108.800 -0.387 0.000 3.088 427 G HA2 0.300 4.260 3.960 -0.000 0.000 0.212 427 G HA3 0.300 4.260 3.960 -0.000 0.000 0.212 427 G C 0.665 175.580 174.900 0.024 0.000 1.173 427 G CA 0.194 45.198 45.100 -0.161 0.000 0.779 427 G HN 0.462 nan 8.290 nan 0.000 0.540 428 G N -0.433 108.358 108.800 -0.014 0.000 2.600 428 G HA2 0.681 4.641 3.960 -0.000 0.000 0.303 428 G HA3 0.681 4.641 3.960 -0.000 0.000 0.303 428 G C -1.081 173.758 174.900 -0.103 0.000 1.253 428 G CA -0.861 44.279 45.100 0.068 0.000 0.974 428 G HN 0.078 nan 8.290 nan 0.000 0.483 429 R N 0.736 121.106 120.500 -0.217 0.000 2.564 429 R HA 0.451 4.791 4.340 -0.000 0.000 0.284 429 R C -1.355 174.859 176.300 -0.143 0.000 1.031 429 R CA -0.833 55.084 56.100 -0.304 0.000 0.904 429 R CB 2.038 31.896 30.300 -0.737 0.000 1.199 429 R HN 0.589 nan 8.270 nan 0.000 0.443 430 N N 1.597 120.216 118.700 -0.134 0.000 2.229 430 N HA 0.299 5.038 4.740 -0.000 0.000 0.298 430 N C -1.102 174.172 175.510 -0.394 0.000 1.114 430 N CA -0.848 52.001 53.050 -0.335 0.000 0.776 430 N CB 2.784 40.927 38.487 -0.573 0.000 1.501 430 N HN 0.262 nan 8.380 nan 0.000 0.474 431 L N 2.421 123.318 121.223 -0.543 0.000 2.367 431 L HA 0.372 4.712 4.340 -0.000 0.000 0.275 431 L C -1.295 175.136 176.870 -0.732 0.000 1.129 431 L CA 0.344 54.892 54.840 -0.487 0.000 0.839 431 L CB -0.311 41.492 42.059 -0.426 0.000 1.133 431 L HN 0.432 nan 8.230 nan 0.000 0.453 432 Y N 3.865 123.798 120.300 -0.611 0.000 2.602 432 Y HA 0.606 5.156 4.550 -0.000 0.000 0.342 432 Y C -0.363 175.135 175.900 -0.670 0.000 1.029 432 Y CA -0.853 56.812 58.100 -0.725 0.000 1.080 432 Y CB 1.744 39.537 38.460 -1.111 0.000 1.284 432 Y HN 0.492 nan 8.280 nan 0.000 0.485 433 K N 2.383 122.599 120.400 -0.306 0.000 2.581 433 K HA 0.563 4.883 4.320 -0.000 0.000 0.249 433 K C -2.134 174.360 176.600 -0.176 0.000 0.966 433 K CA -0.316 55.727 56.287 -0.406 0.000 0.811 433 K CB 1.173 33.352 32.500 -0.535 0.000 1.223 433 K HN 0.702 nan 8.250 nan 0.000 0.438 434 I N 4.202 124.709 120.570 -0.105 0.000 2.404 434 I HA 0.204 4.373 4.170 -0.000 0.000 0.293 434 I C 0.070 176.231 176.117 0.073 0.000 0.992 434 I CA -0.879 60.445 61.300 0.041 0.000 1.149 434 I CB 1.959 40.011 38.000 0.087 0.000 1.315 434 I HN 0.469 nan 8.210 nan 0.000 0.446 435 Q N 5.829 125.706 119.800 0.127 0.000 2.293 435 Q HA 0.337 4.677 4.340 -0.000 0.000 0.251 435 Q C 0.411 176.445 176.000 0.056 0.000 0.930 435 Q CA -0.458 55.410 55.803 0.108 0.000 0.893 435 Q CB 1.810 30.598 28.738 0.083 0.000 1.215 435 Q HN 0.681 nan 8.270 nan 0.000 0.425 436 L N 1.026 122.239 121.223 -0.017 0.000 2.341 436 L HA -0.082 4.258 4.340 -0.000 0.000 0.214 436 L C 2.199 178.962 176.870 -0.179 0.000 1.115 436 L CA 0.770 55.628 54.840 0.031 0.000 0.820 436 L CB -0.222 41.858 42.059 0.035 0.000 0.944 436 L HN 0.711 nan 8.230 nan 0.000 0.452 437 S N -1.684 113.915 115.700 -0.168 0.000 2.515 437 S HA -0.087 4.383 4.470 -0.000 0.000 0.231 437 S C 0.441 174.893 174.600 -0.247 0.000 0.987 437 S CA 0.432 58.510 58.200 -0.203 0.000 0.936 437 S CB -0.160 62.958 63.200 -0.137 0.000 0.766 437 S HN 0.424 nan 8.310 nan 0.000 0.528 438 D N -0.593 119.671 120.400 -0.227 0.000 2.419 438 D HA 0.214 4.854 4.640 -0.000 0.000 0.219 438 D C -0.421 175.842 176.300 -0.061 0.000 1.349 438 D CA -0.623 53.255 54.000 -0.203 0.000 0.964 438 D CB 0.133 40.873 40.800 -0.100 0.000 1.463 438 D HN -0.062 nan 8.370 nan 0.000 0.573 439 Y N 1.258 121.534 120.300 -0.040 0.000 2.497 439 Y HA -0.073 4.477 4.550 -0.000 0.000 0.292 439 Y C 2.512 178.407 175.900 -0.008 0.000 1.137 439 Y CA 1.542 59.624 58.100 -0.030 0.000 1.285 439 Y CB -0.743 37.694 38.460 -0.039 0.000 0.991 439 Y HN 0.490 nan 8.280 nan 0.000 0.556 440 T N -2.886 111.740 114.554 0.120 0.000 3.067 440 T HA 0.002 4.352 4.350 -0.000 0.000 0.261 440 T C 0.752 175.490 174.700 0.063 0.000 1.110 440 T CA 0.070 62.215 62.100 0.076 0.000 1.113 440 T CB -0.132 68.760 68.868 0.039 0.000 0.917 440 T HN 0.061 nan 8.240 nan 0.000 0.499 441 K N 2.208 122.643 120.400 0.059 0.000 2.171 441 K HA 0.452 4.772 4.320 -0.000 0.000 0.274 441 K C -1.258 175.377 176.600 0.058 0.000 1.110 441 K CA -0.204 56.111 56.287 0.046 0.000 0.952 441 K CB 0.875 33.393 32.500 0.031 0.000 1.309 441 K HN 0.148 nan 8.250 nan 0.000 0.414 442 V N 2.660 122.606 119.914 0.054 0.000 2.483 442 V HA 0.226 4.346 4.120 -0.000 0.000 0.297 442 V C -0.130 175.986 176.094 0.037 0.000 1.027 442 V CA -0.762 61.574 62.300 0.060 0.000 0.855 442 V CB 2.027 33.908 31.823 0.097 0.000 0.995 442 V HN 0.602 nan 8.190 nan 0.000 0.424 443 T N 3.213 117.762 114.554 -0.009 0.000 2.855 443 T HA 0.350 4.699 4.350 -0.000 0.000 0.281 443 T C -0.376 174.274 174.700 -0.084 0.000 1.007 443 T CA -0.311 61.757 62.100 -0.053 0.000 1.009 443 T CB 1.601 70.400 68.868 -0.114 0.000 0.983 443 T HN 0.777 nan 8.240 nan 0.000 0.455 444 C N 3.701 122.900 119.300 -0.169 0.000 2.388 444 C HA 0.539 4.999 4.460 -0.000 0.000 0.362 444 C C 1.352 176.064 174.990 -0.463 0.000 1.266 444 C CA -0.569 58.141 59.018 -0.514 0.000 2.028 444 C CB -1.404 25.948 27.740 -0.647 0.000 2.440 444 C HN 0.976 nan 8.230 nan 0.000 0.547 445 L N 4.386 125.276 121.223 -0.555 0.000 2.664 445 L HA 0.158 4.498 4.340 -0.000 0.000 0.233 445 L C 1.938 178.494 176.870 -0.524 0.000 1.113 445 L CA 0.508 55.091 54.840 -0.430 0.000 0.896 445 L CB -0.079 41.765 42.059 -0.359 0.000 1.163 445 L HN 0.870 nan 8.230 nan 0.000 0.497 446 S N -3.082 112.173 115.700 -0.742 0.000 2.670 446 S HA -0.031 4.439 4.470 -0.000 0.000 0.241 446 S C 1.850 175.985 174.600 -0.774 0.000 1.077 446 S CA 0.139 57.745 58.200 -0.989 0.000 0.899 446 S CB -0.312 61.848 63.200 -1.734 0.000 0.835 446 S HN 0.275 nan 8.310 nan 0.000 0.481 447 C N 2.636 121.466 119.300 -0.783 0.000 2.347 447 C HA -0.131 4.329 4.460 -0.000 0.000 0.270 447 C C 1.952 176.614 174.990 -0.547 0.000 1.145 447 C CA 1.565 60.052 59.018 -0.885 0.000 1.802 447 C CB -0.930 26.236 27.740 -0.956 0.000 2.084 447 C HN 0.600 nan 8.230 nan 0.000 0.446 448 E N -0.056 119.932 120.200 -0.353 0.000 2.496 448 E HA 0.251 4.601 4.350 -0.000 0.000 0.200 448 E C 1.545 178.082 176.600 -0.104 0.000 1.016 448 E CA -0.037 56.260 56.400 -0.173 0.000 0.962 448 E CB -0.231 29.392 29.700 -0.128 0.000 1.071 448 E HN 0.641 nan 8.360 nan 0.000 0.457 449 L N 0.320 121.483 121.223 -0.101 0.000 2.023 449 L HA 0.021 4.361 4.340 -0.000 0.000 0.205 449 L C 0.517 177.397 176.870 0.016 0.000 1.073 449 L CA 0.971 55.800 54.840 -0.018 0.000 0.745 449 L CB -0.070 42.010 42.059 0.036 0.000 0.900 449 L HN 0.049 nan 8.230 nan 0.000 0.435 450 N N -0.736 117.986 118.700 0.038 0.000 2.701 450 N HA 0.162 4.902 4.740 -0.000 0.000 0.258 450 N C -2.368 173.165 175.510 0.038 0.000 1.262 450 N CA -0.913 52.153 53.050 0.026 0.000 0.780 450 N CB 1.736 40.232 38.487 0.015 0.000 1.380 450 N HN -0.173 nan 8.380 nan 0.000 0.548 451 P HA -0.162 nan 4.420 nan 0.000 0.217 451 P C 0.947 178.299 177.300 0.088 0.000 1.148 451 P CA 1.486 64.638 63.100 0.087 0.000 0.828 451 P CB 0.523 32.293 31.700 0.116 0.000 0.783 452 E N -1.091 119.141 120.200 0.053 0.000 2.072 452 E HA -0.124 4.226 4.350 -0.000 0.000 0.190 452 E C 2.264 178.876 176.600 0.020 0.000 0.982 452 E CA 0.770 57.192 56.400 0.038 0.000 0.803 452 E CB -0.241 29.472 29.700 0.022 0.000 0.755 452 E HN 0.116 nan 8.360 nan 0.000 0.453 453 R N -0.406 120.097 120.500 0.005 0.000 2.080 453 R HA 0.087 4.427 4.340 -0.000 0.000 0.222 453 R C -0.107 176.168 176.300 -0.043 0.000 1.107 453 R CA 0.774 56.856 56.100 -0.029 0.000 0.980 453 R CB 0.226 30.498 30.300 -0.046 0.000 0.879 453 R HN 0.108 nan 8.270 nan 0.000 0.439 454 c N 0.948 119.538 118.600 -0.017 0.000 2.319 454 c HA 0.439 5.009 4.570 -0.000 0.000 0.323 454 c C -0.299 173.831 174.090 0.067 0.000 1.277 454 c CA -0.556 55.733 56.329 -0.067 0.000 1.517 454 c CB 1.345 43.817 42.510 -0.064 0.000 2.206 454 c HN 0.579 nan 8.230 nan 0.000 0.486 455 Q N 0.685 120.510 119.800 0.041 0.000 1.983 455 Q HA 0.201 4.541 4.340 -0.000 0.000 0.204 455 Q C -1.136 174.967 176.000 0.171 0.000 0.789 455 Q CA -0.008 55.885 55.803 0.151 0.000 1.007 455 Q CB 0.918 29.750 28.738 0.157 0.000 1.229 455 Q HN 0.813 nan 8.270 nan 0.000 0.431 456 Y N 0.326 120.570 120.300 -0.095 0.000 2.422 456 Y HA 0.355 4.905 4.550 -0.000 0.000 0.344 456 Y C -1.694 174.078 175.900 -0.213 0.000 1.097 456 Y CA -0.849 57.196 58.100 -0.091 0.000 1.307 456 Y CB 0.629 39.033 38.460 -0.093 0.000 1.102 456 Y HN -0.013 nan 8.280 nan 0.000 0.520 457 Y N 2.096 122.265 120.300 -0.219 0.000 2.387 457 Y HA 0.614 5.164 4.550 -0.000 0.000 0.330 457 Y C 0.662 176.447 175.900 -0.191 0.000 1.133 457 Y CA -0.325 57.668 58.100 -0.178 0.000 1.152 457 Y CB 1.888 40.222 38.460 -0.211 0.000 1.215 457 Y HN 0.500 nan 8.280 nan 0.000 0.466 458 S N 0.943 116.668 115.700 0.041 0.000 2.751 458 S HA 0.884 5.354 4.470 -0.000 0.000 0.310 458 S C -1.293 173.343 174.600 0.060 0.000 1.128 458 S CA -0.728 57.497 58.200 0.043 0.000 0.931 458 S CB 1.902 65.139 63.200 0.062 0.000 1.177 458 S HN 0.590 nan 8.310 nan 0.000 0.530 459 V N -0.228 119.732 119.914 0.078 0.000 3.188 459 V HA 0.869 4.989 4.120 -0.000 0.000 0.305 459 V C -1.558 174.618 176.094 0.137 0.000 1.232 459 V CA -0.079 62.255 62.300 0.056 0.000 1.043 459 V CB 2.249 34.061 31.823 -0.019 0.000 1.068 459 V HN 1.301 nan 8.190 nan 0.000 0.439 460 S N 3.356 119.120 115.700 0.107 0.000 2.680 460 S HA 0.617 5.087 4.470 -0.000 0.000 0.262 460 S C -1.529 173.234 174.600 0.271 0.000 1.138 460 S CA -0.354 58.017 58.200 0.286 0.000 1.072 460 S CB 0.437 63.822 63.200 0.307 0.000 1.097 460 S HN 0.520 nan 8.310 nan 0.000 0.468 461 F N 3.517 123.541 119.950 0.124 0.000 2.404 461 F HA 0.470 4.997 4.527 -0.000 0.000 0.339 461 F C 1.315 176.721 175.800 -0.657 0.000 1.105 461 F CA -0.368 57.511 58.000 -0.201 0.000 1.087 461 F CB 1.754 40.635 39.000 -0.199 0.000 1.143 461 F HN 0.633 nan 8.300 nan 0.000 0.491 462 S N 2.567 117.505 115.700 -1.269 0.000 2.576 462 S HA 0.172 4.642 4.470 -0.000 0.000 0.272 462 S C -0.057 174.391 174.600 -0.253 0.000 1.352 462 S CA -1.031 56.472 58.200 -1.161 0.000 1.021 462 S CB 0.363 62.876 63.200 -1.146 0.000 0.887 462 S HN 0.577 nan 8.310 nan 0.000 0.542 463 K N 1.451 121.838 120.400 -0.022 0.000 2.591 463 K HA -0.094 4.226 4.320 -0.000 0.000 0.280 463 K C 0.496 177.127 176.600 0.052 0.000 0.964 463 K CA 0.963 57.292 56.287 0.070 0.000 1.014 463 K CB -0.129 32.442 32.500 0.120 0.000 0.877 463 K HN 0.794 nan 8.250 nan 0.000 0.502 464 E N 0.008 120.250 120.200 0.070 0.000 2.494 464 E HA -0.307 4.043 4.350 -0.000 0.000 0.249 464 E C -0.205 176.426 176.600 0.051 0.000 1.184 464 E CA 0.362 56.805 56.400 0.071 0.000 0.727 464 E CB -1.640 28.113 29.700 0.088 0.000 1.281 464 E HN 0.804 nan 8.360 nan 0.000 0.405 465 A N -0.031 122.804 122.820 0.024 0.000 2.409 465 A HA -0.345 3.975 4.320 -0.000 0.000 0.290 465 A C 1.306 178.928 177.584 0.063 0.000 1.440 465 A CA 2.132 54.205 52.037 0.060 0.000 0.775 465 A CB -1.081 17.815 19.000 -0.174 0.000 1.069 465 A HN 0.471 nan 8.150 nan 0.000 0.389 466 K N -1.632 118.756 120.400 -0.021 0.000 2.242 466 K HA 0.250 4.570 4.320 -0.000 0.000 0.200 466 K C 0.041 176.306 176.600 -0.558 0.000 1.050 466 K CA 1.051 57.227 56.287 -0.185 0.000 0.981 466 K CB 0.167 32.634 32.500 -0.055 0.000 0.795 466 K HN 0.673 nan 8.250 nan 0.000 0.477 467 Y N -1.156 119.048 120.300 -0.160 0.000 2.638 467 Y HA 0.344 4.894 4.550 -0.000 0.000 0.339 467 Y C -1.046 174.670 175.900 -0.307 0.000 1.084 467 Y CA -1.376 56.595 58.100 -0.215 0.000 1.068 467 Y CB 1.595 39.949 38.460 -0.177 0.000 1.294 467 Y HN -0.057 nan 8.280 nan 0.000 0.480 468 Y N -1.270 118.937 120.300 -0.154 0.000 2.544 468 Y HA 0.537 5.087 4.550 -0.000 0.000 0.342 468 Y C -1.257 174.645 175.900 0.003 0.000 1.062 468 Y CA -1.436 56.428 58.100 -0.393 0.000 1.023 468 Y CB 1.540 39.218 38.460 -1.304 0.000 1.308 468 Y HN 0.567 nan 8.280 nan 0.000 0.457 469 Q N 3.487 123.424 119.800 0.228 0.000 2.290 469 Q HA 0.534 4.874 4.340 -0.000 0.000 0.259 469 Q C -1.811 174.253 176.000 0.106 0.000 0.941 469 Q CA -0.727 55.169 55.803 0.155 0.000 0.912 469 Q CB 1.411 30.215 28.738 0.110 0.000 1.244 469 Q HN 0.974 nan 8.270 nan 0.000 0.441 470 L N 4.239 125.523 121.223 0.101 0.000 2.296 470 L HA 0.527 4.867 4.340 -0.000 0.000 0.286 470 L C -0.054 176.814 176.870 -0.003 0.000 1.023 470 L CA -0.447 54.445 54.840 0.086 0.000 0.812 470 L CB 1.569 43.683 42.059 0.092 0.000 1.223 470 L HN 0.475 nan 8.230 nan 0.000 0.421 471 R N 3.639 124.079 120.500 -0.100 0.000 2.288 471 R HA 0.356 4.696 4.340 -0.000 0.000 0.326 471 R C -0.725 175.322 176.300 -0.422 0.000 0.959 471 R CA -0.555 55.286 56.100 -0.433 0.000 0.834 471 R CB 1.096 31.117 30.300 -0.465 0.000 1.157 471 R HN 0.794 nan 8.270 nan 0.000 0.470 472 c N 3.196 121.425 118.600 -0.619 0.000 2.325 472 c HA 0.403 4.973 4.570 -0.000 0.000 0.347 472 c C 0.877 174.712 174.090 -0.424 0.000 1.263 472 c CA -0.460 55.380 56.329 -0.816 0.000 1.806 472 c CB 0.884 42.625 42.510 -1.282 0.000 2.405 472 c HN 0.874 nan 8.230 nan 0.000 0.537 473 S N 2.940 118.512 115.700 -0.214 0.000 2.577 473 S HA 0.551 5.021 4.470 -0.000 0.000 0.219 473 S C 0.747 175.314 174.600 -0.055 0.000 0.962 473 S CA 0.534 58.685 58.200 -0.082 0.000 0.921 473 S CB -0.217 62.992 63.200 0.015 0.000 0.789 473 S HN 1.555 nan 8.310 nan 0.000 0.497 474 G N 1.675 110.425 108.800 -0.083 0.000 2.359 474 G HA2 0.161 4.121 3.960 -0.000 0.000 0.293 474 G HA3 0.161 4.121 3.960 -0.000 0.000 0.293 474 G C -2.996 171.887 174.900 -0.028 0.000 1.300 474 G CA -0.669 44.415 45.100 -0.027 0.000 0.888 474 G HN -0.153 nan 8.290 nan 0.000 0.541 475 P HA 0.145 nan 4.420 nan 0.000 0.233 475 P C 1.337 178.655 177.300 0.031 0.000 1.167 475 P CA 1.340 64.467 63.100 0.045 0.000 0.770 475 P CB 0.220 31.947 31.700 0.044 0.000 0.837 476 G N 0.572 109.327 108.800 -0.074 0.000 2.553 476 G HA2 0.358 4.318 3.960 -0.000 0.000 0.278 476 G HA3 0.358 4.318 3.960 -0.000 0.000 0.278 476 G C -0.267 174.380 174.900 -0.423 0.000 1.349 476 G CA -0.703 44.280 45.100 -0.195 0.000 1.037 476 G HN 0.061 nan 8.290 nan 0.000 0.508 477 L N 1.131 122.026 121.223 -0.546 0.000 2.455 477 L HA 0.180 4.520 4.340 -0.000 0.000 0.272 477 L C -1.928 174.770 176.870 -0.288 0.000 1.174 477 L CA -1.326 53.146 54.840 -0.614 0.000 0.869 477 L CB 0.395 42.189 42.059 -0.442 0.000 1.130 477 L HN 0.222 nan 8.230 nan 0.000 0.474 478 P HA -0.005 nan 4.420 nan 0.000 0.264 478 P C -0.755 176.507 177.300 -0.062 0.000 1.179 478 P CA 0.330 63.367 63.100 -0.106 0.000 0.763 478 P CB 0.512 32.245 31.700 0.055 0.000 0.806 479 L N 3.894 125.007 121.223 -0.183 0.000 2.385 479 L HA 0.442 4.782 4.340 -0.000 0.000 0.273 479 L C -1.174 175.594 176.870 -0.170 0.000 0.990 479 L CA -0.852 53.936 54.840 -0.086 0.000 0.821 479 L CB 1.189 43.187 42.059 -0.101 0.000 1.279 479 L HN 0.340 nan 8.230 nan 0.000 0.412 480 Y N 1.943 122.191 120.300 -0.087 0.000 2.328 480 Y HA 0.454 5.004 4.550 -0.000 0.000 0.333 480 Y C 0.473 176.284 175.900 -0.147 0.000 0.958 480 Y CA -0.640 57.395 58.100 -0.107 0.000 1.167 480 Y CB 2.026 40.399 38.460 -0.145 0.000 1.151 480 Y HN 0.486 nan 8.280 nan 0.000 0.470 481 T N 1.003 115.584 114.554 0.046 0.000 2.924 481 T HA 0.763 5.113 4.350 -0.000 0.000 0.291 481 T C -1.331 173.376 174.700 0.012 0.000 1.045 481 T CA -0.900 61.209 62.100 0.015 0.000 1.015 481 T CB 2.161 71.135 68.868 0.177 0.000 1.103 481 T HN 0.378 nan 8.240 nan 0.000 0.496 482 L N 1.272 122.382 121.223 -0.188 0.000 2.362 482 L HA 0.763 5.103 4.340 -0.000 0.000 0.271 482 L C -1.339 175.274 176.870 -0.429 0.000 1.002 482 L CA -0.311 54.447 54.840 -0.137 0.000 0.818 482 L CB 1.721 43.714 42.059 -0.110 0.000 1.298 482 L HN 0.917 nan 8.230 nan 0.000 0.420 483 H N 0.750 119.604 119.070 -0.360 0.000 2.980 483 H HA 0.582 5.138 4.556 -0.000 0.000 0.367 483 H C -1.170 173.923 175.328 -0.392 0.000 1.206 483 H CA -0.673 55.061 56.048 -0.524 0.000 1.126 483 H CB 2.050 31.130 29.762 -1.137 0.000 1.838 483 H HN 0.462 nan 8.280 nan 0.000 0.552 484 S N 0.162 115.776 115.700 -0.144 0.000 2.437 484 S HA 0.222 4.692 4.470 -0.000 0.000 0.305 484 S C 0.674 175.209 174.600 -0.109 0.000 1.109 484 S CA -0.520 57.600 58.200 -0.134 0.000 1.099 484 S CB 0.757 63.921 63.200 -0.059 0.000 1.004 484 S HN 0.659 nan 8.310 nan 0.000 0.475 485 S N 3.337 118.944 115.700 -0.154 0.000 2.402 485 S HA -0.102 4.368 4.470 -0.000 0.000 0.229 485 S C 1.977 176.588 174.600 0.019 0.000 1.021 485 S CA 1.277 59.510 58.200 0.055 0.000 0.974 485 S CB -0.289 62.940 63.200 0.049 0.000 0.800 485 S HN 0.677 nan 8.310 nan 0.000 0.484 486 V N 2.199 122.086 119.914 -0.046 0.000 2.219 486 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 486 V C 1.060 177.160 176.094 0.010 0.000 1.053 486 V CA 2.066 64.364 62.300 -0.004 0.000 1.009 486 V CB -0.809 30.996 31.823 -0.030 0.000 0.636 486 V HN 0.487 nan 8.190 nan 0.000 0.445 487 N N -1.236 117.462 118.700 -0.004 0.000 2.235 487 N HA 0.165 4.904 4.740 -0.000 0.000 0.231 487 N C -0.456 175.055 175.510 0.002 0.000 1.177 487 N CA -0.004 53.045 53.050 -0.001 0.000 0.874 487 N CB 0.330 38.817 38.487 -0.001 0.000 1.097 487 N HN 0.337 nan 8.380 nan 0.000 0.518 488 D N 1.213 121.627 120.400 0.024 0.000 2.686 488 D HA -0.210 4.430 4.640 -0.000 0.000 0.235 488 D C -0.148 176.193 176.300 0.070 0.000 1.160 488 D CA 1.098 55.148 54.000 0.084 0.000 0.645 488 D CB -0.318 40.514 40.800 0.053 0.000 1.039 488 D HN 0.451 nan 8.370 nan 0.000 0.423 489 K N 0.292 120.708 120.400 0.028 0.000 2.144 489 K HA 0.438 4.758 4.320 -0.000 0.000 0.270 489 K C 0.678 177.253 176.600 -0.042 0.000 1.005 489 K CA -0.280 56.004 56.287 -0.005 0.000 0.932 489 K CB 1.024 33.509 32.500 -0.026 0.000 1.021 489 K HN 0.086 nan 8.250 nan 0.000 0.462 490 G N 3.176 111.926 108.800 -0.083 0.000 2.398 490 G HA2 0.201 4.161 3.960 -0.000 0.000 0.246 490 G HA3 0.201 4.161 3.960 -0.000 0.000 0.246 490 G C 0.448 175.214 174.900 -0.223 0.000 1.289 490 G CA -0.338 44.615 45.100 -0.245 0.000 0.869 490 G HN 0.635 nan 8.290 nan 0.000 0.543 491 L N 1.329 122.366 121.223 -0.311 0.000 2.670 491 L HA 0.455 4.795 4.340 -0.000 0.000 0.177 491 L C 1.258 178.023 176.870 -0.175 0.000 1.181 491 L CA 0.154 54.879 54.840 -0.191 0.000 0.856 491 L CB 0.300 42.270 42.059 -0.148 0.000 1.205 491 L HN 0.388 nan 8.230 nan 0.000 0.506 492 R N -0.841 119.530 120.500 -0.216 0.000 2.698 492 R HA 0.518 4.858 4.340 -0.000 0.000 0.275 492 R C -1.431 174.742 176.300 -0.211 0.000 1.001 492 R CA -0.557 55.438 56.100 -0.175 0.000 0.896 492 R CB 2.981 33.193 30.300 -0.147 0.000 1.218 492 R HN -0.215 nan 8.270 nan 0.000 0.462 493 V N 4.921 124.733 119.914 -0.170 0.000 2.432 493 V HA 0.162 4.282 4.120 -0.000 0.000 0.275 493 V C 1.059 177.014 176.094 -0.231 0.000 1.043 493 V CA -0.014 62.187 62.300 -0.165 0.000 0.925 493 V CB 1.295 33.055 31.823 -0.105 0.000 0.985 493 V HN 0.700 nan 8.190 nan 0.000 0.466 494 L N 2.876 123.900 121.223 -0.332 0.000 2.062 494 L HA 0.230 4.570 4.340 -0.000 0.000 0.202 494 L C 0.806 177.429 176.870 -0.411 0.000 1.079 494 L CA 0.880 55.335 54.840 -0.641 0.000 0.755 494 L CB 0.101 41.457 42.059 -1.172 0.000 0.913 494 L HN 0.640 nan 8.230 nan 0.000 0.445 495 E N -0.035 120.028 120.200 -0.228 0.000 2.263 495 E HA 0.096 4.446 4.350 -0.000 0.000 0.268 495 E C -1.032 175.583 176.600 0.025 0.000 0.884 495 E CA -0.427 55.925 56.400 -0.081 0.000 0.766 495 E CB 1.262 30.882 29.700 -0.134 0.000 1.196 495 E HN 0.268 nan 8.360 nan 0.000 0.416 496 D N 3.675 124.082 120.400 0.012 0.000 2.469 496 D HA 0.073 4.713 4.640 -0.000 0.000 0.215 496 D C -0.249 176.056 176.300 0.009 0.000 1.154 496 D CA -0.255 53.755 54.000 0.017 0.000 0.832 496 D CB -0.001 40.792 40.800 -0.012 0.000 1.008 496 D HN 0.491 nan 8.370 nan 0.000 0.506 497 N N 0.914 119.626 118.700 0.020 0.000 2.732 497 N HA -0.251 4.489 4.740 -0.000 0.000 0.250 497 N C 1.307 176.815 175.510 -0.003 0.000 1.097 497 N CA 1.124 54.183 53.050 0.015 0.000 0.812 497 N CB -1.561 36.931 38.487 0.008 0.000 1.148 497 N HN 0.478 nan 8.380 nan 0.000 0.572 498 S N -0.935 114.762 115.700 -0.005 0.000 2.428 498 S HA -0.226 4.244 4.470 -0.000 0.000 0.240 498 S C 2.038 176.645 174.600 0.012 0.000 1.036 498 S CA 1.553 59.750 58.200 -0.005 0.000 1.009 498 S CB -0.376 62.822 63.200 -0.002 0.000 0.803 498 S HN 0.571 nan 8.310 nan 0.000 0.486 499 A N 1.934 124.769 122.820 0.025 0.000 1.877 499 A HA 0.130 4.450 4.320 -0.000 0.000 0.216 499 A C 2.284 179.904 177.584 0.060 0.000 1.186 499 A CA 1.359 53.422 52.037 0.044 0.000 0.620 499 A CB -0.835 18.196 19.000 0.051 0.000 0.822 499 A HN 0.512 nan 8.150 nan 0.000 0.443 500 L N -0.482 120.777 121.223 0.060 0.000 2.046 500 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 500 L C 2.373 179.262 176.870 0.032 0.000 1.077 500 L CA 2.371 57.257 54.840 0.077 0.000 0.747 500 L CB -0.529 41.569 42.059 0.065 0.000 0.896 500 L HN 0.468 nan 8.230 nan 0.000 0.432 501 D N -0.214 120.182 120.400 -0.007 0.000 2.123 501 D HA -0.216 4.424 4.640 -0.000 0.000 0.196 501 D C 2.136 178.431 176.300 -0.007 0.000 0.992 501 D CA 1.214 55.196 54.000 -0.030 0.000 0.833 501 D CB 0.199 40.974 40.800 -0.041 0.000 0.954 501 D HN 0.035 nan 8.370 nan 0.000 0.455 502 K N -0.120 120.289 120.400 0.014 0.000 1.991 502 K HA -0.135 4.184 4.320 -0.000 0.000 0.212 502 K C 2.374 178.997 176.600 0.039 0.000 1.049 502 K CA 1.064 57.368 56.287 0.027 0.000 0.932 502 K CB -0.661 31.861 32.500 0.037 0.000 0.717 502 K HN 0.352 nan 8.250 nan 0.000 0.441 503 M N 0.661 120.301 119.600 0.067 0.000 2.080 503 M HA -0.146 4.334 4.480 -0.000 0.000 0.260 503 M C 2.257 178.555 176.300 -0.003 0.000 1.068 503 M CA 1.442 56.802 55.300 0.100 0.000 1.109 503 M CB -0.372 32.369 32.600 0.234 0.000 1.342 503 M HN 0.043 nan 8.290 nan 0.000 0.405 504 L N -0.270 120.917 121.223 -0.060 0.000 2.191 504 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 504 L C 2.268 179.098 176.870 -0.067 0.000 1.103 504 L CA 1.225 55.989 54.840 -0.127 0.000 0.769 504 L CB -0.786 41.224 42.059 -0.082 0.000 0.908 504 L HN 0.446 nan 8.230 nan 0.000 0.438 505 Q N -0.249 119.535 119.800 -0.027 0.000 2.443 505 Q HA -0.147 4.193 4.340 -0.000 0.000 0.213 505 Q C 1.284 177.289 176.000 0.008 0.000 0.982 505 Q CA 0.746 56.545 55.803 -0.007 0.000 0.894 505 Q CB -0.023 28.717 28.738 0.004 0.000 0.947 505 Q HN 0.506 nan 8.270 nan 0.000 0.480 506 N N -0.092 118.614 118.700 0.011 0.000 2.236 506 N HA 0.043 4.783 4.740 -0.000 0.000 0.196 506 N C -0.093 175.442 175.510 0.043 0.000 1.114 506 N CA 0.241 53.314 53.050 0.039 0.000 0.859 506 N CB 1.214 39.743 38.487 0.070 0.000 0.982 506 N HN 0.069 nan 8.380 nan 0.000 0.493 507 V N -1.505 118.410 119.914 0.002 0.000 2.864 507 V HA 0.413 4.533 4.120 -0.000 0.000 0.314 507 V C -0.057 176.045 176.094 0.014 0.000 1.073 507 V CA -0.920 61.393 62.300 0.021 0.000 0.956 507 V CB 2.237 34.052 31.823 -0.014 0.000 1.023 507 V HN -0.140 nan 8.190 nan 0.000 0.435 508 Q N 3.532 123.358 119.800 0.043 0.000 2.837 508 Q HA 0.308 4.648 4.340 -0.000 0.000 0.235 508 Q C -0.481 175.507 176.000 -0.020 0.000 1.348 508 Q CA -0.334 55.475 55.803 0.009 0.000 0.990 508 Q CB 0.422 29.190 28.738 0.049 0.000 1.570 508 Q HN 0.639 nan 8.270 nan 0.000 0.575 509 M N 2.591 122.160 119.600 -0.052 0.000 2.238 509 M HA 0.230 4.709 4.480 -0.000 0.000 0.347 509 M C -2.094 174.142 176.300 -0.107 0.000 1.173 509 M CA -2.517 52.736 55.300 -0.078 0.000 1.147 509 M CB -0.350 32.208 32.600 -0.070 0.000 1.547 509 M HN 0.168 nan 8.290 nan 0.000 0.455 510 P HA 0.215 nan 4.420 nan 0.000 0.275 510 P C -0.558 176.657 177.300 -0.142 0.000 1.228 510 P CA -0.467 62.544 63.100 -0.149 0.000 0.786 510 P CB 0.519 32.118 31.700 -0.169 0.000 0.927 511 S N 1.284 116.892 115.700 -0.154 0.000 2.713 511 S HA 0.562 5.032 4.470 -0.000 0.000 0.283 511 S C -0.392 174.112 174.600 -0.159 0.000 1.161 511 S CA -0.686 57.434 58.200 -0.133 0.000 0.999 511 S CB 1.150 64.274 63.200 -0.128 0.000 1.039 511 S HN 0.372 nan 8.310 nan 0.000 0.548 512 K N 0.378 120.707 120.400 -0.119 0.000 2.270 512 K HA 0.411 4.731 4.320 -0.000 0.000 0.255 512 K C -1.140 175.397 176.600 -0.106 0.000 0.936 512 K CA -0.574 55.647 56.287 -0.110 0.000 0.809 512 K CB 1.220 33.683 32.500 -0.063 0.000 1.131 512 K HN 0.634 nan 8.250 nan 0.000 0.427 513 K N 4.872 125.203 120.400 -0.116 0.000 2.307 513 K HA 0.327 4.647 4.320 -0.000 0.000 0.263 513 K C -1.484 175.080 176.600 -0.060 0.000 0.973 513 K CA -0.628 55.607 56.287 -0.087 0.000 0.846 513 K CB 1.038 33.469 32.500 -0.114 0.000 1.100 513 K HN 0.535 nan 8.250 nan 0.000 0.438 514 L N 4.674 125.878 121.223 -0.031 0.000 2.345 514 L HA 0.410 4.750 4.340 -0.000 0.000 0.274 514 L C -1.294 175.614 176.870 0.063 0.000 0.999 514 L CA -0.125 54.726 54.840 0.019 0.000 0.849 514 L CB 1.035 43.154 42.059 0.100 0.000 1.220 514 L HN 0.776 nan 8.230 nan 0.000 0.422 515 D N 3.316 123.587 120.400 -0.215 0.000 2.958 515 D HA 0.558 5.198 4.640 -0.000 0.000 0.306 515 D C -1.407 174.568 176.300 -0.541 0.000 1.226 515 D CA 0.054 53.855 54.000 -0.331 0.000 1.032 515 D CB 2.099 42.686 40.800 -0.356 0.000 1.400 515 D HN 0.258 nan 8.370 nan 0.000 0.587 516 F N -0.455 119.177 119.950 -0.531 0.000 2.643 516 F HA 0.739 5.266 4.527 -0.000 0.000 0.314 516 F C -0.906 174.966 175.800 0.121 0.000 1.096 516 F CA -1.012 56.749 58.000 -0.400 0.000 0.953 516 F CB 0.720 38.983 39.000 -1.228 0.000 1.345 516 F HN 0.291 nan 8.300 nan 0.000 0.468 517 I N -0.184 120.669 120.570 0.471 0.000 3.239 517 I HA 0.710 4.880 4.170 -0.000 0.000 0.314 517 I C -1.351 174.998 176.117 0.388 0.000 1.126 517 I CA -1.340 60.153 61.300 0.321 0.000 0.973 517 I CB 2.431 40.541 38.000 0.184 0.000 1.252 517 I HN 0.492 nan 8.210 nan 0.000 0.463 518 I N 3.156 123.879 120.570 0.255 0.000 2.436 518 I HA 0.506 4.676 4.170 -0.000 0.000 0.289 518 I C -1.200 175.043 176.117 0.211 0.000 1.010 518 I CA -0.438 61.009 61.300 0.245 0.000 1.098 518 I CB 1.557 39.656 38.000 0.163 0.000 1.266 518 I HN 0.384 nan 8.210 nan 0.000 0.434 519 L N 6.223 127.631 121.223 0.308 0.000 2.381 519 L HA 0.458 4.798 4.340 -0.000 0.000 0.274 519 L C -0.011 176.986 176.870 0.211 0.000 0.988 519 L CA -0.327 54.644 54.840 0.219 0.000 0.824 519 L CB 1.255 43.441 42.059 0.210 0.000 1.263 519 L HN 0.444 nan 8.230 nan 0.000 0.410 520 N N 3.562 122.325 118.700 0.106 0.000 2.678 520 N HA -0.251 4.489 4.740 -0.000 0.000 0.268 520 N C 0.212 175.771 175.510 0.081 0.000 1.010 520 N CA 1.235 54.330 53.050 0.075 0.000 0.784 520 N CB -0.696 37.823 38.487 0.053 0.000 0.905 520 N HN 0.851 nan 8.380 nan 0.000 0.552 521 E N -3.331 116.912 120.200 0.072 0.000 3.065 521 E HA -0.260 4.090 4.350 -0.000 0.000 0.277 521 E C -0.592 176.028 176.600 0.033 0.000 1.008 521 E CA 1.445 57.875 56.400 0.049 0.000 0.864 521 E CB -1.260 28.456 29.700 0.026 0.000 1.439 521 E HN 0.563 nan 8.360 nan 0.000 0.445 522 T N 0.429 115.019 114.554 0.060 0.000 2.856 522 T HA 0.395 4.745 4.350 -0.000 0.000 0.283 522 T C -0.080 174.550 174.700 -0.117 0.000 1.008 522 T CA -0.839 61.214 62.100 -0.079 0.000 0.997 522 T CB 1.788 70.555 68.868 -0.170 0.000 0.992 522 T HN -0.013 nan 8.240 nan 0.000 0.454 523 K N 1.901 122.149 120.400 -0.254 0.000 2.276 523 K HA 0.499 4.819 4.320 -0.000 0.000 0.283 523 K C -1.106 175.268 176.600 -0.377 0.000 1.044 523 K CA -0.142 56.005 56.287 -0.232 0.000 0.944 523 K CB 0.502 32.684 32.500 -0.529 0.000 1.012 523 K HN 0.409 nan 8.250 nan 0.000 0.472 524 F N 1.486 121.524 119.950 0.148 0.000 2.565 524 F HA 0.367 4.894 4.527 -0.000 0.000 0.313 524 F C -0.685 175.303 175.800 0.313 0.000 1.091 524 F CA -0.716 57.429 58.000 0.243 0.000 0.915 524 F CB 1.179 40.379 39.000 0.333 0.000 1.208 524 F HN 0.429 nan 8.300 nan 0.000 0.453 525 W N 3.049 124.580 121.300 0.386 0.000 2.512 525 W HA 0.592 5.252 4.660 -0.000 0.000 0.335 525 W C -0.882 175.915 176.519 0.464 0.000 1.088 525 W CA -0.652 56.916 57.345 0.371 0.000 1.236 525 W CB 1.143 30.718 29.460 0.190 0.000 1.307 525 W HN 0.419 nan 8.180 nan 0.000 0.567 526 Y N -0.385 120.312 120.300 0.662 0.000 2.615 526 Y HA 0.692 5.242 4.550 -0.000 0.000 0.341 526 Y C -0.772 175.375 175.900 0.411 0.000 1.089 526 Y CA -1.886 56.569 58.100 0.592 0.000 1.049 526 Y CB 0.996 39.930 38.460 0.789 0.000 1.296 526 Y HN 0.574 nan 8.280 nan 0.000 0.470 527 Q N 1.602 121.613 119.800 0.352 0.000 2.458 527 Q HA 0.805 5.145 4.340 -0.000 0.000 0.282 527 Q C -1.615 174.509 176.000 0.206 0.000 1.106 527 Q CA -1.225 54.675 55.803 0.161 0.000 0.814 527 Q CB 3.314 32.116 28.738 0.108 0.000 1.425 527 Q HN 0.847 nan 8.270 nan 0.000 0.437 528 M N 1.501 121.138 119.600 0.063 0.000 2.386 528 M HA 0.433 4.913 4.480 -0.000 0.000 0.293 528 M C -1.373 174.856 176.300 -0.117 0.000 1.120 528 M CA -0.907 54.366 55.300 -0.045 0.000 0.909 528 M CB 2.430 34.964 32.600 -0.110 0.000 1.661 528 M HN 0.582 nan 8.290 nan 0.000 0.452 529 I N 4.967 125.459 120.570 -0.130 0.000 2.287 529 I HA 0.348 4.518 4.170 -0.000 0.000 0.290 529 I C -0.534 175.443 176.117 -0.234 0.000 1.069 529 I CA -0.221 60.982 61.300 -0.162 0.000 1.237 529 I CB 0.097 38.020 38.000 -0.129 0.000 1.418 529 I HN 0.603 nan 8.210 nan 0.000 0.481 530 L N 8.099 129.139 121.223 -0.305 0.000 2.289 530 L HA 0.430 4.770 4.340 -0.000 0.000 0.285 530 L C -2.108 174.579 176.870 -0.305 0.000 1.049 530 L CA -1.815 52.761 54.840 -0.441 0.000 0.804 530 L CB 1.095 42.719 42.059 -0.725 0.000 1.195 530 L HN 0.210 nan 8.230 nan 0.000 0.428 531 P HA -0.012 nan 4.420 nan 0.000 0.269 531 P C -2.390 174.845 177.300 -0.109 0.000 1.211 531 P CA -0.594 62.411 63.100 -0.158 0.000 0.781 531 P CB -0.284 31.326 31.700 -0.151 0.000 0.877 532 P HA -0.005 nan 4.420 nan 0.000 0.272 532 P C -0.403 176.842 177.300 -0.093 0.000 1.240 532 P CA 0.162 63.140 63.100 -0.204 0.000 0.791 532 P CB -0.109 31.408 31.700 -0.305 0.000 0.978 533 H N -2.959 116.149 119.070 0.064 0.000 2.690 533 H HA -0.224 4.332 4.556 -0.000 0.000 0.309 533 H C 0.045 175.440 175.328 0.112 0.000 1.138 533 H CA -0.094 55.999 56.048 0.075 0.000 1.142 533 H CB -2.500 27.297 29.762 0.059 0.000 1.410 533 H HN 0.292 nan 8.280 nan 0.000 0.409 534 F N 2.126 122.071 119.950 -0.007 0.000 2.623 534 F HA 0.061 4.588 4.527 -0.000 0.000 0.386 534 F C 0.616 176.455 175.800 0.064 0.000 1.068 534 F CA 0.013 57.971 58.000 -0.069 0.000 1.265 534 F CB 0.434 39.291 39.000 -0.239 0.000 1.026 534 F HN 0.273 nan 8.300 nan 0.000 0.568 535 D N 5.887 125.988 120.400 -0.498 0.000 2.454 535 D HA 0.154 4.794 4.640 -0.000 0.000 0.247 535 D C 0.557 176.539 176.300 -0.531 0.000 1.129 535 D CA -0.551 53.243 54.000 -0.344 0.000 0.877 535 D CB 0.840 41.566 40.800 -0.123 0.000 1.082 535 D HN 0.625 nan 8.370 nan 0.000 0.537 536 K N 1.083 121.218 120.400 -0.442 0.000 2.519 536 K HA -0.106 4.214 4.320 -0.000 0.000 0.196 536 K C 1.054 177.671 176.600 0.028 0.000 1.041 536 K CA 0.921 57.105 56.287 -0.172 0.000 0.954 536 K CB -0.118 32.437 32.500 0.092 0.000 0.774 536 K HN 0.247 nan 8.250 nan 0.000 0.480 537 S N -0.126 115.544 115.700 -0.051 0.000 2.524 537 S HA 0.125 4.595 4.470 -0.000 0.000 0.215 537 S C 0.540 175.095 174.600 -0.075 0.000 0.986 537 S CA -0.583 57.600 58.200 -0.029 0.000 0.911 537 S CB 0.132 63.314 63.200 -0.029 0.000 0.805 537 S HN 0.143 nan 8.310 nan 0.000 0.501 538 K N 1.326 121.638 120.400 -0.148 0.000 2.132 538 K HA 0.299 4.619 4.320 -0.000 0.000 0.240 538 K C -0.260 176.217 176.600 -0.205 0.000 1.036 538 K CA -0.089 56.041 56.287 -0.261 0.000 0.888 538 K CB 0.311 32.510 32.500 -0.501 0.000 1.071 538 K HN 0.106 nan 8.250 nan 0.000 0.502 539 K N 2.306 122.538 120.400 -0.280 0.000 2.762 539 K HA 0.166 4.485 4.320 -0.000 0.000 0.180 539 K C -1.169 175.363 176.600 -0.114 0.000 1.067 539 K CA -0.283 55.936 56.287 -0.114 0.000 0.973 539 K CB 0.432 32.874 32.500 -0.097 0.000 1.290 539 K HN 0.402 nan 8.250 nan 0.000 0.604 540 Y N 1.456 121.789 120.300 0.055 0.000 2.652 540 Y HA -0.020 4.530 4.550 -0.000 0.000 0.344 540 Y C -1.843 174.031 175.900 -0.042 0.000 1.254 540 Y CA -1.289 56.834 58.100 0.039 0.000 1.480 540 Y CB -0.259 38.291 38.460 0.149 0.000 1.345 540 Y HN 0.342 nan 8.280 nan 0.000 0.617 541 P HA 0.220 nan 4.420 nan 0.000 0.279 541 P C -1.085 176.180 177.300 -0.057 0.000 1.239 541 P CA -0.439 62.495 63.100 -0.277 0.000 0.789 541 P CB 0.874 32.169 31.700 -0.675 0.000 0.933 542 L N 3.769 124.962 121.223 -0.050 0.000 2.296 542 L HA 0.449 4.789 4.340 -0.000 0.000 0.286 542 L C -0.767 176.281 176.870 0.298 0.000 1.023 542 L CA -0.734 54.177 54.840 0.119 0.000 0.812 542 L CB 0.662 42.777 42.059 0.093 0.000 1.223 542 L HN 0.253 nan 8.230 nan 0.000 0.421 543 L N 5.983 127.377 121.223 0.284 0.000 2.265 543 L HA 0.375 4.715 4.340 -0.000 0.000 0.289 543 L C -0.843 176.222 176.870 0.324 0.000 1.033 543 L CA -0.910 54.127 54.840 0.329 0.000 0.814 543 L CB 1.557 43.733 42.059 0.195 0.000 1.203 543 L HN 0.583 nan 8.230 nan 0.000 0.423 544 L N 5.394 126.867 121.223 0.416 0.000 2.315 544 L HA 0.251 4.591 4.340 -0.000 0.000 0.283 544 L C -0.183 176.917 176.870 0.383 0.000 1.089 544 L CA 0.303 55.383 54.840 0.400 0.000 0.833 544 L CB 0.602 42.958 42.059 0.494 0.000 1.170 544 L HN 0.471 nan 8.230 nan 0.000 0.442 545 D N 4.635 125.226 120.400 0.319 0.000 2.396 545 D HA 0.174 4.814 4.640 -0.000 0.000 0.225 545 D C -1.004 175.374 176.300 0.130 0.000 1.121 545 D CA 0.023 54.147 54.000 0.206 0.000 0.853 545 D CB 1.244 42.224 40.800 0.299 0.000 1.043 545 D HN 0.343 nan 8.370 nan 0.000 0.500 546 V N 5.501 125.427 119.914 0.019 0.000 2.581 546 V HA 0.362 4.482 4.120 -0.000 0.000 0.303 546 V C -0.677 175.494 176.094 0.129 0.000 1.041 546 V CA -0.324 62.045 62.300 0.116 0.000 0.907 546 V CB 1.708 33.605 31.823 0.124 0.000 0.994 546 V HN 0.613 nan 8.190 nan 0.000 0.442 547 Y N 5.281 125.644 120.300 0.106 0.000 2.972 547 Y HA 0.525 5.075 4.550 -0.000 0.000 0.229 547 Y C 1.657 177.684 175.900 0.211 0.000 0.980 547 Y CA 1.316 59.505 58.100 0.149 0.000 1.475 547 Y CB 0.181 38.711 38.460 0.117 0.000 1.459 547 Y HN 0.916 nan 8.280 nan 0.000 0.460 548 A N 0.624 123.639 122.820 0.325 0.000 2.979 548 A HA -0.187 4.133 4.320 -0.000 0.000 0.260 548 A C 1.069 178.586 177.584 -0.112 0.000 1.282 548 A CA 0.943 53.081 52.037 0.169 0.000 0.971 548 A CB -2.541 16.588 19.000 0.215 0.000 1.124 548 A HN 0.910 nan 8.150 nan 0.000 0.826 549 G N -0.810 107.764 108.800 -0.376 0.000 2.684 549 G HA2 0.450 4.409 3.960 -0.000 0.000 0.255 549 G HA3 0.450 4.409 3.960 -0.000 0.000 0.255 549 G C -2.270 172.316 174.900 -0.524 0.000 1.219 549 G CA -0.507 43.931 45.100 -1.104 0.000 0.901 549 G HN 0.326 nan 8.290 nan 0.000 0.548 550 P HA 0.195 nan 4.420 nan 0.000 0.269 550 P C 0.196 177.244 177.300 -0.419 0.000 1.263 550 P CA 0.038 62.774 63.100 -0.606 0.000 0.813 550 P CB 0.554 31.494 31.700 -1.267 0.000 0.868 551 C N 2.772 121.935 119.300 -0.228 0.000 4.583 551 C HA -0.096 4.364 4.460 -0.000 0.000 0.292 551 C C 0.663 175.608 174.990 -0.074 0.000 1.127 551 C CA 0.796 59.664 59.018 -0.249 0.000 2.418 551 C CB -2.575 24.913 27.740 -0.420 0.000 1.311 551 C HN 0.681 nan 8.230 nan 0.000 0.705 552 S N 0.207 115.928 115.700 0.034 0.000 2.730 552 S HA 0.751 5.221 4.470 -0.000 0.000 0.284 552 S C -0.596 174.105 174.600 0.168 0.000 1.153 552 S CA -0.265 58.032 58.200 0.161 0.000 0.995 552 S CB 1.797 65.150 63.200 0.256 0.000 1.058 552 S HN 0.810 nan 8.310 nan 0.000 0.552 553 Q N -0.259 119.662 119.800 0.201 0.000 2.567 553 Q HA 0.275 4.615 4.340 -0.000 0.000 0.233 553 Q C -0.687 175.406 176.000 0.156 0.000 0.833 553 Q CA -0.472 55.456 55.803 0.208 0.000 0.844 553 Q CB 0.947 29.875 28.738 0.318 0.000 1.423 553 Q HN 0.643 nan 8.270 nan 0.000 0.442 554 K N 0.422 120.918 120.400 0.161 0.000 2.356 554 K HA 0.260 4.580 4.320 -0.000 0.000 0.195 554 K C 0.109 176.798 176.600 0.149 0.000 1.037 554 K CA 0.394 56.772 56.287 0.151 0.000 1.014 554 K CB 0.987 33.602 32.500 0.192 0.000 0.815 554 K HN 0.492 nan 8.250 nan 0.000 0.507 555 A N 2.970 125.892 122.820 0.171 0.000 2.253 555 A HA 0.407 4.727 4.320 -0.000 0.000 0.316 555 A C -0.758 176.886 177.584 0.101 0.000 1.327 555 A CA -0.483 51.658 52.037 0.174 0.000 0.917 555 A CB 0.177 19.347 19.000 0.284 0.000 1.162 555 A HN 0.277 nan 8.150 nan 0.000 0.535 556 D N -0.147 120.284 120.400 0.052 0.000 2.692 556 D HA 0.291 4.931 4.640 -0.000 0.000 0.290 556 D C 0.330 176.619 176.300 -0.019 0.000 1.281 556 D CA 0.238 54.244 54.000 0.009 0.000 0.804 556 D CB 0.109 40.903 40.800 -0.009 0.000 1.331 556 D HN 0.211 nan 8.370 nan 0.000 0.432 557 T N -2.299 112.254 114.554 -0.001 0.000 3.169 557 T HA 0.222 4.572 4.350 -0.000 0.000 0.250 557 T C 0.969 175.625 174.700 -0.073 0.000 1.111 557 T CA 0.156 62.262 62.100 0.011 0.000 1.010 557 T CB -0.622 68.310 68.868 0.106 0.000 0.984 557 T HN 0.557 nan 8.240 nan 0.000 0.537 558 V N 1.056 120.817 119.914 -0.255 0.000 2.881 558 V HA 0.535 4.655 4.120 -0.000 0.000 0.303 558 V C -0.288 175.762 176.094 -0.073 0.000 1.070 558 V CA -1.189 60.950 62.300 -0.267 0.000 1.074 558 V CB 0.564 32.065 31.823 -0.536 0.000 1.012 558 V HN 0.416 nan 8.190 nan 0.000 0.482 559 F N 7.066 126.926 119.950 -0.150 0.000 2.371 559 F HA 0.626 5.153 4.527 -0.000 0.000 0.363 559 F C 0.410 176.163 175.800 -0.079 0.000 1.122 559 F CA -0.530 57.410 58.000 -0.101 0.000 1.129 559 F CB 0.396 39.346 39.000 -0.082 0.000 1.173 559 F HN 0.571 nan 8.300 nan 0.000 0.489 560 R N 6.927 127.076 120.500 -0.585 0.000 2.562 560 R HA 0.500 4.840 4.340 -0.000 0.000 0.298 560 R C -1.339 174.540 176.300 -0.702 0.000 0.961 560 R CA -1.087 54.743 56.100 -0.450 0.000 0.881 560 R CB 2.033 32.200 30.300 -0.221 0.000 1.159 560 R HN 0.676 nan 8.270 nan 0.000 0.450 561 L N 4.472 125.448 121.223 -0.412 0.000 2.288 561 L HA 0.288 4.628 4.340 -0.000 0.000 0.283 561 L C 0.361 177.258 176.870 0.045 0.000 1.072 561 L CA -0.152 54.534 54.840 -0.258 0.000 0.862 561 L CB -0.211 41.822 42.059 -0.043 0.000 1.245 561 L HN 0.801 nan 8.230 nan 0.000 0.432 562 N N -0.017 118.645 118.700 -0.063 0.000 3.455 562 N HA 0.197 4.937 4.740 -0.000 0.000 0.358 562 N C 0.318 175.588 175.510 -0.399 0.000 1.580 562 N CA -0.876 52.129 53.050 -0.075 0.000 0.692 562 N CB 0.482 38.992 38.487 0.039 0.000 1.978 562 N HN 0.301 nan 8.380 nan 0.000 0.651 563 W N 0.608 121.496 121.300 -0.686 0.000 2.476 563 W HA 0.296 4.956 4.660 -0.000 0.000 0.281 563 W C 2.259 178.752 176.519 -0.045 0.000 1.230 563 W CA 1.620 58.662 57.345 -0.505 0.000 1.287 563 W CB -0.753 28.542 29.460 -0.275 0.000 1.108 563 W HN 0.678 nan 8.180 nan 0.000 0.567 564 A N 0.134 122.902 122.820 -0.088 0.000 1.883 564 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 564 A C 1.978 179.455 177.584 -0.179 0.000 1.186 564 A CA 2.913 54.845 52.037 -0.176 0.000 0.624 564 A CB -1.428 17.544 19.000 -0.046 0.000 0.822 564 A HN 0.282 nan 8.150 nan 0.000 0.444 565 T N -1.080 113.378 114.554 -0.160 0.000 2.649 565 T HA -0.307 4.043 4.350 -0.000 0.000 0.268 565 T C 1.779 176.481 174.700 0.003 0.000 1.036 565 T CA 2.151 64.130 62.100 -0.202 0.000 1.157 565 T CB -0.591 67.968 68.868 -0.514 0.000 0.861 565 T HN 0.727 nan 8.240 nan 0.000 0.445 566 Y N 1.551 121.887 120.300 0.059 0.000 2.263 566 Y HA 0.110 4.660 4.550 -0.000 0.000 0.292 566 Y C 1.943 177.838 175.900 -0.008 0.000 1.130 566 Y CA 0.796 59.001 58.100 0.174 0.000 1.179 566 Y CB -0.530 38.054 38.460 0.207 0.000 0.998 566 Y HN 0.134 nan 8.280 nan 0.000 0.532 567 L N 0.107 120.976 121.223 -0.589 0.000 2.275 567 L HA -0.094 4.246 4.340 -0.000 0.000 0.215 567 L C 2.632 179.267 176.870 -0.390 0.000 1.119 567 L CA 0.914 55.339 54.840 -0.693 0.000 0.790 567 L CB -0.705 40.983 42.059 -0.618 0.000 0.919 567 L HN 0.434 nan 8.230 nan 0.000 0.443 568 A N -1.061 121.598 122.820 -0.268 0.000 1.862 568 A HA -0.131 4.189 4.320 -0.000 0.000 0.211 568 A C 2.470 179.982 177.584 -0.121 0.000 1.220 568 A CA 1.300 53.232 52.037 -0.174 0.000 0.616 568 A CB -0.603 18.294 19.000 -0.172 0.000 0.878 568 A HN 0.247 nan 8.150 nan 0.000 0.453 569 S N -1.221 114.428 115.700 -0.086 0.000 2.382 569 S HA -0.117 4.353 4.470 -0.000 0.000 0.228 569 S C 1.889 176.496 174.600 0.011 0.000 1.027 569 S CA 2.353 60.549 58.200 -0.007 0.000 0.991 569 S CB -0.285 62.967 63.200 0.086 0.000 0.823 569 S HN 0.568 nan 8.310 nan 0.000 0.469 570 T N 0.582 115.099 114.554 -0.061 0.000 3.045 570 T HA 0.205 4.555 4.350 -0.000 0.000 0.239 570 T C 1.232 175.880 174.700 -0.087 0.000 1.008 570 T CA 0.312 62.388 62.100 -0.041 0.000 1.143 570 T CB -0.020 68.867 68.868 0.031 0.000 0.894 570 T HN 0.235 nan 8.240 nan 0.000 0.451 571 E N 1.786 121.850 120.200 -0.227 0.000 2.479 571 E HA 0.180 4.530 4.350 -0.000 0.000 0.193 571 E C 0.080 176.668 176.600 -0.020 0.000 1.049 571 E CA -0.086 56.230 56.400 -0.140 0.000 0.870 571 E CB -0.160 29.391 29.700 -0.248 0.000 0.944 571 E HN 0.322 nan 8.360 nan 0.000 0.492 572 N N 0.823 119.525 118.700 0.003 0.000 2.727 572 N HA -0.210 4.530 4.740 -0.000 0.000 0.249 572 N C -0.615 174.992 175.510 0.161 0.000 1.048 572 N CA 0.719 53.844 53.050 0.125 0.000 0.714 572 N CB -1.365 37.261 38.487 0.231 0.000 0.959 572 N HN 0.306 nan 8.380 nan 0.000 0.544 573 I N 1.131 121.720 120.570 0.033 0.000 2.339 573 I HA 0.300 4.470 4.170 -0.000 0.000 0.290 573 I C 0.933 177.036 176.117 -0.024 0.000 0.994 573 I CA -0.758 60.576 61.300 0.056 0.000 1.191 573 I CB 1.118 39.139 38.000 0.034 0.000 1.343 573 I HN -0.064 nan 8.210 nan 0.000 0.458 574 I N 6.982 127.554 120.570 0.003 0.000 2.578 574 I HA 0.020 4.190 4.170 -0.000 0.000 0.286 574 I C -0.039 176.067 176.117 -0.018 0.000 1.126 574 I CA -0.036 61.227 61.300 -0.061 0.000 1.380 574 I CB 0.323 38.303 38.000 -0.033 0.000 1.408 574 I HN 0.239 nan 8.210 nan 0.000 0.532 575 V N 7.148 127.031 119.914 -0.053 0.000 2.385 575 V HA 0.558 4.678 4.120 -0.000 0.000 0.269 575 V C 0.544 176.644 176.094 0.011 0.000 1.043 575 V CA -0.383 61.922 62.300 0.007 0.000 0.906 575 V CB 0.889 32.704 31.823 -0.013 0.000 0.995 575 V HN 0.826 nan 8.190 nan 0.000 0.467 576 A N 4.211 127.057 122.820 0.043 0.000 2.350 576 A HA 0.888 5.208 4.320 -0.000 0.000 0.324 576 A C -0.120 177.569 177.584 0.174 0.000 1.118 576 A CA -0.453 51.593 52.037 0.015 0.000 0.783 576 A CB 1.676 20.506 19.000 -0.284 0.000 1.236 576 A HN 0.667 nan 8.150 nan 0.000 0.457 577 S N -0.070 115.780 115.700 0.250 0.000 2.600 577 S HA 0.846 5.316 4.470 -0.000 0.000 0.300 577 S C -1.398 173.534 174.600 0.553 0.000 1.087 577 S CA -0.297 58.115 58.200 0.353 0.000 0.965 577 S CB 1.345 64.705 63.200 0.267 0.000 1.089 577 S HN 0.873 nan 8.310 nan 0.000 0.496 578 F N 1.632 121.808 119.950 0.378 0.000 2.605 578 F HA 0.363 4.890 4.527 -0.000 0.000 0.320 578 F C -1.801 174.211 175.800 0.354 0.000 1.159 578 F CA -0.718 57.547 58.000 0.442 0.000 0.999 578 F CB 1.373 40.657 39.000 0.473 0.000 1.258 578 F HN 0.406 nan 8.300 nan 0.000 0.464 579 D N 5.306 125.449 120.400 -0.428 0.000 2.479 579 D HA 0.324 4.964 4.640 -0.000 0.000 0.218 579 D C 0.501 176.481 176.300 -0.533 0.000 1.131 579 D CA 0.128 53.969 54.000 -0.266 0.000 0.916 579 D CB 1.416 42.240 40.800 0.040 0.000 1.022 579 D HN 0.757 nan 8.370 nan 0.000 0.515 580 G N 1.248 109.766 108.800 -0.470 0.000 2.531 580 G HA2 0.237 4.197 3.960 -0.000 0.000 0.253 580 G HA3 0.237 4.197 3.960 -0.000 0.000 0.253 580 G C 0.320 175.205 174.900 -0.024 0.000 1.439 580 G CA -0.687 44.197 45.100 -0.360 0.000 1.056 580 G HN 0.280 nan 8.290 nan 0.000 0.555 581 R N -0.949 119.541 120.500 -0.017 0.000 2.679 581 R HA 0.361 4.701 4.340 -0.000 0.000 0.268 581 R C 1.338 177.727 176.300 0.147 0.000 1.044 581 R CA 1.457 57.658 56.100 0.168 0.000 1.105 581 R CB 0.446 30.838 30.300 0.153 0.000 0.989 581 R HN 1.042 nan 8.270 nan 0.000 0.447 582 G N 0.924 109.800 108.800 0.126 0.000 2.241 582 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.244 582 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.244 582 G C 0.135 175.035 174.900 0.001 0.000 0.998 582 G CA 0.270 45.412 45.100 0.070 0.000 0.621 582 G HN 0.743 nan 8.290 nan 0.000 0.519 583 S N 0.381 116.095 115.700 0.024 0.000 2.584 583 S HA 0.642 5.112 4.470 -0.000 0.000 0.270 583 S C 0.840 175.389 174.600 -0.085 0.000 1.346 583 S CA 0.597 58.792 58.200 -0.008 0.000 1.018 583 S CB 1.799 65.030 63.200 0.051 0.000 0.899 583 S HN 1.695 nan 8.310 nan 0.000 0.542 584 G N -0.555 108.128 108.800 -0.195 0.000 2.705 584 G HA2 0.526 4.486 3.960 -0.000 0.000 0.299 584 G HA3 0.526 4.486 3.960 -0.000 0.000 0.299 584 G C -1.001 173.702 174.900 -0.328 0.000 1.315 584 G CA -0.993 43.851 45.100 -0.426 0.000 1.045 584 G HN 0.940 nan 8.290 nan 0.000 0.517 585 Y N -2.366 117.915 120.300 -0.032 0.000 4.879 585 Y HA -0.203 4.347 4.550 -0.000 0.000 0.247 585 Y C 1.354 177.247 175.900 -0.011 0.000 0.985 585 Y CA 0.915 59.010 58.100 -0.008 0.000 2.000 585 Y CB -2.199 36.277 38.460 0.026 0.000 1.519 585 Y HN 0.563 nan 8.280 nan 0.000 0.613 586 Q N -0.239 119.569 119.800 0.013 0.000 2.057 586 Q HA 0.518 4.858 4.340 -0.000 0.000 0.216 586 Q C 0.894 176.752 176.000 -0.236 0.000 0.788 586 Q CA 0.203 56.012 55.803 0.009 0.000 1.053 586 Q CB 1.802 30.546 28.738 0.010 0.000 1.210 586 Q HN 0.604 nan 8.270 nan 0.000 0.455 587 G N 0.912 109.454 108.800 -0.430 0.000 2.699 587 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.686 587 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.686 587 G C -0.490 174.037 174.900 -0.622 0.000 1.301 587 G CA -0.475 44.095 45.100 -0.883 0.000 0.816 587 G HN 0.093 nan 8.290 nan 0.000 0.595 588 D N -0.112 119.907 120.400 -0.635 0.000 2.264 588 D HA -0.047 4.593 4.640 -0.000 0.000 0.208 588 D C 2.212 178.273 176.300 -0.398 0.000 0.966 588 D CA 1.165 54.797 54.000 -0.613 0.000 0.864 588 D CB 0.060 40.528 40.800 -0.553 0.000 0.933 588 D HN 0.537 nan 8.370 nan 0.000 0.499 589 K N 0.367 120.576 120.400 -0.318 0.000 2.063 589 K HA -0.132 4.188 4.320 -0.000 0.000 0.208 589 K C 2.088 178.616 176.600 -0.120 0.000 1.048 589 K CA 0.829 57.010 56.287 -0.176 0.000 0.928 589 K CB -0.070 32.340 32.500 -0.150 0.000 0.713 589 K HN 0.091 nan 8.250 nan 0.000 0.442 590 I N 0.555 121.039 120.570 -0.145 0.000 2.193 590 I HA -0.259 3.911 4.170 -0.000 0.000 0.240 590 I C 2.634 178.724 176.117 -0.046 0.000 1.084 590 I CA 0.986 62.266 61.300 -0.034 0.000 1.365 590 I CB -0.125 37.863 38.000 -0.020 0.000 1.064 590 I HN 0.242 nan 8.210 nan 0.000 0.410 591 M N 0.041 119.530 119.600 -0.185 0.000 2.065 591 M HA -0.272 4.208 4.480 -0.000 0.000 0.259 591 M C 2.032 178.287 176.300 -0.075 0.000 1.071 591 M CA 2.049 57.234 55.300 -0.192 0.000 1.109 591 M CB -0.420 31.946 32.600 -0.390 0.000 1.313 591 M HN 0.279 nan 8.290 nan 0.000 0.408 592 H N -0.604 118.349 119.070 -0.196 0.000 2.562 592 H HA 0.102 4.658 4.556 -0.000 0.000 0.272 592 H C 1.674 177.005 175.328 0.005 0.000 1.019 592 H CA 0.097 56.036 56.048 -0.181 0.000 1.160 592 H CB -0.031 29.537 29.762 -0.324 0.000 1.334 592 H HN 0.517 nan 8.280 nan 0.000 0.611 593 A N 0.608 123.521 122.820 0.155 0.000 2.121 593 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 593 A C 1.899 179.689 177.584 0.342 0.000 1.154 593 A CA 0.999 53.160 52.037 0.207 0.000 0.679 593 A CB -0.125 18.973 19.000 0.162 0.000 0.795 593 A HN 0.366 nan 8.150 nan 0.000 0.458 594 I N -0.698 120.030 120.570 0.264 0.000 3.956 594 I HA 0.100 4.270 4.170 -0.000 0.000 0.333 594 I C 0.521 176.715 176.117 0.127 0.000 1.302 594 I CA -0.313 61.100 61.300 0.188 0.000 1.122 594 I CB -0.200 37.888 38.000 0.145 0.000 1.013 594 I HN 0.307 nan 8.210 nan 0.000 0.405 595 N N 1.975 120.800 118.700 0.209 0.000 2.294 595 N HA -0.134 4.605 4.740 -0.000 0.000 0.263 595 N C 0.514 176.052 175.510 0.048 0.000 1.281 595 N CA 0.745 53.921 53.050 0.210 0.000 0.846 595 N CB 0.092 38.660 38.487 0.136 0.000 1.061 595 N HN 0.201 nan 8.380 nan 0.000 0.478 596 R N 0.725 121.227 120.500 0.003 0.000 4.000 596 R HA -0.232 4.108 4.340 -0.000 0.000 0.362 596 R C -0.284 175.865 176.300 -0.251 0.000 1.183 596 R CA 1.207 57.253 56.100 -0.090 0.000 1.011 596 R CB -1.385 28.885 30.300 -0.050 0.000 1.501 596 R HN 0.701 nan 8.270 nan 0.000 0.553 597 R N 0.319 120.648 120.500 -0.285 0.000 2.522 597 R HA 0.257 4.597 4.340 -0.000 0.000 0.373 597 R C -0.375 175.801 176.300 -0.207 0.000 1.062 597 R CA -0.339 55.400 56.100 -0.602 0.000 1.167 597 R CB 0.628 30.560 30.300 -0.613 0.000 1.378 597 R HN -0.007 nan 8.270 nan 0.000 0.662 598 L N -0.225 120.992 121.223 -0.011 0.000 2.499 598 L HA 0.127 4.467 4.340 -0.000 0.000 0.281 598 L C 1.441 178.569 176.870 0.431 0.000 1.234 598 L CA 1.238 56.175 54.840 0.162 0.000 0.839 598 L CB 0.369 42.417 42.059 -0.018 0.000 1.104 598 L HN 0.654 nan 8.230 nan 0.000 0.500 599 G N 0.589 109.682 108.800 0.489 0.000 2.175 599 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.244 599 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.244 599 G C 0.432 175.411 174.900 0.133 0.000 0.982 599 G CA 0.470 45.795 45.100 0.375 0.000 0.641 599 G HN 0.738 nan 8.290 nan 0.000 0.527 600 T N -1.486 113.109 114.554 0.068 0.000 3.422 600 T HA 0.484 4.834 4.350 -0.000 0.000 0.192 600 T C 1.789 176.451 174.700 -0.064 0.000 0.857 600 T CA 1.155 63.183 62.100 -0.120 0.000 1.400 600 T CB -0.095 68.525 68.868 -0.413 0.000 1.864 600 T HN 0.102 nan 8.240 nan 0.000 0.415 601 F N 3.043 123.047 119.950 0.090 0.000 2.186 601 F HA 0.103 4.630 4.527 -0.000 0.000 0.299 601 F C 2.626 178.470 175.800 0.073 0.000 1.090 601 F CA 1.125 59.163 58.000 0.064 0.000 1.307 601 F CB -0.789 38.242 39.000 0.053 0.000 1.019 601 F HN 0.459 nan 8.300 nan 0.000 0.489 602 E N 0.982 121.336 120.200 0.257 0.000 2.209 602 E HA -0.146 4.204 4.350 -0.000 0.000 0.196 602 E C 1.961 178.679 176.600 0.198 0.000 0.993 602 E CA 1.618 58.149 56.400 0.219 0.000 0.819 602 E CB -0.956 28.884 29.700 0.233 0.000 0.745 602 E HN 0.318 nan 8.360 nan 0.000 0.477 603 V N 1.281 121.288 119.914 0.156 0.000 2.331 603 V HA -0.152 3.968 4.120 -0.000 0.000 0.242 603 V C 2.404 178.559 176.094 0.100 0.000 1.034 603 V CA 1.723 64.080 62.300 0.095 0.000 1.027 603 V CB -0.658 31.173 31.823 0.013 0.000 0.667 603 V HN 0.144 nan 8.190 nan 0.000 0.457 604 E N 0.567 120.836 120.200 0.115 0.000 2.070 604 E HA -0.288 4.062 4.350 -0.000 0.000 0.197 604 E C 1.901 178.548 176.600 0.078 0.000 1.004 604 E CA 1.918 58.380 56.400 0.103 0.000 0.805 604 E CB -0.201 29.592 29.700 0.155 0.000 0.744 604 E HN 0.592 nan 8.360 nan 0.000 0.451 605 D N -0.148 120.317 120.400 0.108 0.000 2.264 605 D HA -0.126 4.514 4.640 -0.000 0.000 0.208 605 D C 1.886 178.270 176.300 0.139 0.000 0.966 605 D CA 0.648 54.701 54.000 0.088 0.000 0.864 605 D CB -0.065 40.789 40.800 0.089 0.000 0.933 605 D HN 0.111 nan 8.370 nan 0.000 0.499 606 Q N 0.008 119.919 119.800 0.185 0.000 2.083 606 Q HA 0.001 4.341 4.340 -0.000 0.000 0.198 606 Q C 2.513 178.597 176.000 0.140 0.000 0.969 606 Q CA 0.462 56.395 55.803 0.217 0.000 0.838 606 Q CB -0.107 28.769 28.738 0.230 0.000 0.900 606 Q HN 0.398 nan 8.270 nan 0.000 0.436 607 I N 0.969 121.622 120.570 0.137 0.000 2.099 607 I HA -0.299 3.871 4.170 -0.000 0.000 0.239 607 I C 2.437 178.508 176.117 -0.077 0.000 1.066 607 I CA 1.347 62.723 61.300 0.126 0.000 1.324 607 I CB -0.358 37.702 38.000 0.101 0.000 1.037 607 I HN 0.142 nan 8.210 nan 0.000 0.401 608 E N 1.358 121.479 120.200 -0.131 0.000 2.086 608 E HA -0.280 4.070 4.350 -0.000 0.000 0.200 608 E C 2.095 178.413 176.600 -0.470 0.000 1.012 608 E CA 2.033 58.285 56.400 -0.247 0.000 0.812 608 E CB -0.439 29.137 29.700 -0.207 0.000 0.743 608 E HN 0.450 nan 8.360 nan 0.000 0.453 609 A N 0.911 123.324 122.820 -0.679 0.000 1.859 609 A HA -0.182 4.137 4.320 -0.000 0.000 0.217 609 A C 2.529 179.450 177.584 -1.104 0.000 1.198 609 A CA 3.111 54.432 52.037 -1.193 0.000 0.629 609 A CB -1.401 16.806 19.000 -1.323 0.000 0.830 609 A HN 0.427 nan 8.150 nan 0.000 0.446 610 A N -0.579 121.987 122.820 -0.423 0.000 1.927 610 A HA -0.263 4.057 4.320 -0.000 0.000 0.220 610 A C 2.268 179.668 177.584 -0.306 0.000 1.185 610 A CA 1.957 53.884 52.037 -0.183 0.000 0.639 610 A CB -0.567 18.309 19.000 -0.206 0.000 0.820 610 A HN 0.585 nan 8.150 nan 0.000 0.451 611 R N -0.871 119.421 120.500 -0.346 0.000 2.073 611 R HA -0.145 4.195 4.340 -0.000 0.000 0.234 611 R C 2.489 178.608 176.300 -0.302 0.000 1.134 611 R CA 1.679 57.608 56.100 -0.284 0.000 0.952 611 R CB -0.327 29.831 30.300 -0.237 0.000 0.850 611 R HN 0.701 nan 8.270 nan 0.000 0.433 612 Q N -0.542 118.996 119.800 -0.437 0.000 2.224 612 Q HA -0.121 4.219 4.340 -0.000 0.000 0.203 612 Q C 1.782 177.562 176.000 -0.367 0.000 0.970 612 Q CA 1.072 56.620 55.803 -0.426 0.000 0.865 612 Q CB 0.009 28.433 28.738 -0.524 0.000 0.922 612 Q HN 0.282 nan 8.270 nan 0.000 0.445 613 F N 0.692 120.480 119.950 -0.271 0.000 2.186 613 F HA -0.121 4.406 4.527 -0.000 0.000 0.299 613 F C 2.493 178.136 175.800 -0.262 0.000 1.090 613 F CA 0.590 58.435 58.000 -0.257 0.000 1.307 613 F CB -0.964 37.922 39.000 -0.190 0.000 1.019 613 F HN -0.084 nan 8.300 nan 0.000 0.489 614 S N 0.294 115.939 115.700 -0.092 0.000 2.404 614 S HA -0.246 4.224 4.470 -0.000 0.000 0.230 614 S C 1.190 175.690 174.600 -0.167 0.000 1.046 614 S CA 1.484 59.600 58.200 -0.139 0.000 1.135 614 S CB -0.693 62.412 63.200 -0.159 0.000 1.056 614 S HN 0.324 nan 8.310 nan 0.000 0.426 615 K N 1.612 121.910 120.400 -0.169 0.000 2.978 615 K HA 0.150 4.470 4.320 -0.000 0.000 0.261 615 K C -0.498 175.984 176.600 -0.197 0.000 1.181 615 K CA 0.519 56.709 56.287 -0.161 0.000 1.164 615 K CB -0.669 31.748 32.500 -0.139 0.000 1.331 615 K HN 0.344 nan 8.250 nan 0.000 0.266 616 M N -0.820 118.608 119.600 -0.287 0.000 2.378 616 M HA 0.188 4.667 4.480 -0.000 0.000 0.289 616 M C 0.831 176.858 176.300 -0.456 0.000 1.136 616 M CA -0.645 54.386 55.300 -0.449 0.000 0.917 616 M CB 2.169 34.281 32.600 -0.814 0.000 1.669 616 M HN 0.330 nan 8.290 nan 0.000 0.461 617 G N 1.302 109.934 108.800 -0.280 0.000 2.990 617 G HA2 0.029 3.989 3.960 -0.000 0.000 0.206 617 G HA3 0.029 3.989 3.960 -0.000 0.000 0.206 617 G C 0.446 175.331 174.900 -0.025 0.000 1.169 617 G CA 0.347 45.377 45.100 -0.117 0.000 0.819 617 G HN 0.719 nan 8.290 nan 0.000 0.517 618 F N -0.848 119.147 119.950 0.076 0.000 2.706 618 F HA 0.462 4.989 4.527 -0.000 0.000 0.313 618 F C 0.095 175.997 175.800 0.170 0.000 1.096 618 F CA -1.420 56.658 58.000 0.131 0.000 1.219 618 F CB 0.007 39.162 39.000 0.259 0.000 1.051 618 F HN 0.002 nan 8.300 nan 0.000 0.568 619 V N 1.247 121.148 119.914 -0.021 0.000 2.378 619 V HA 0.480 4.600 4.120 -0.000 0.000 0.288 619 V C -0.829 175.232 176.094 -0.055 0.000 1.016 619 V CA -0.728 61.593 62.300 0.035 0.000 0.840 619 V CB 0.964 32.797 31.823 0.016 0.000 0.994 619 V HN 0.232 nan 8.190 nan 0.000 0.431 620 D N 4.837 125.203 120.400 -0.058 0.000 2.358 620 D HA 0.119 4.759 4.640 -0.000 0.000 0.258 620 D C 1.295 177.520 176.300 -0.124 0.000 1.223 620 D CA 0.468 54.406 54.000 -0.103 0.000 0.886 620 D CB 0.888 41.615 40.800 -0.123 0.000 1.120 620 D HN 0.767 nan 8.370 nan 0.000 0.482 621 N N 3.337 121.967 118.700 -0.116 0.000 2.512 621 N HA -0.132 4.608 4.740 -0.000 0.000 0.183 621 N C 0.631 176.071 175.510 -0.116 0.000 1.073 621 N CA 0.191 53.167 53.050 -0.123 0.000 0.911 621 N CB 0.121 38.535 38.487 -0.121 0.000 0.964 621 N HN 0.401 nan 8.380 nan 0.000 0.447 622 K N 0.480 120.815 120.400 -0.107 0.000 2.459 622 K HA 0.120 4.440 4.320 -0.000 0.000 0.193 622 K C 0.320 176.868 176.600 -0.086 0.000 1.030 622 K CA 0.335 56.574 56.287 -0.080 0.000 1.026 622 K CB 0.296 32.756 32.500 -0.066 0.000 0.809 622 K HN 0.177 nan 8.250 nan 0.000 0.504 623 R N 1.657 122.051 120.500 -0.177 0.000 2.629 623 R HA 0.274 4.614 4.340 -0.000 0.000 0.277 623 R C -0.972 175.158 176.300 -0.282 0.000 1.637 623 R CA -0.231 55.671 56.100 -0.331 0.000 1.663 623 R CB 0.716 30.555 30.300 -0.768 0.000 1.228 623 R HN -0.024 nan 8.270 nan 0.000 0.632 624 I N 1.408 121.990 120.570 0.021 0.000 2.354 624 I HA 0.454 4.624 4.170 -0.000 0.000 0.286 624 I C 0.490 176.901 176.117 0.489 0.000 1.007 624 I CA -0.698 60.697 61.300 0.157 0.000 1.167 624 I CB 1.131 39.061 38.000 -0.116 0.000 1.320 624 I HN 0.286 nan 8.210 nan 0.000 0.458 625 A N 7.400 130.622 122.820 0.671 0.000 2.256 625 A HA 0.917 5.237 4.320 -0.000 0.000 0.318 625 A C -0.524 177.392 177.584 0.555 0.000 1.103 625 A CA -0.604 51.764 52.037 0.551 0.000 0.860 625 A CB 1.992 21.154 19.000 0.270 0.000 1.182 625 A HN 0.776 nan 8.150 nan 0.000 0.501 626 I N -0.011 120.783 120.570 0.373 0.000 2.841 626 I HA 0.649 4.819 4.170 -0.000 0.000 0.298 626 I C -2.088 174.279 176.117 0.418 0.000 1.304 626 I CA -0.617 60.851 61.300 0.279 0.000 1.019 626 I CB 1.781 39.634 38.000 -0.244 0.000 1.282 626 I HN 0.976 nan 8.210 nan 0.000 0.432 627 W N 6.280 127.685 121.300 0.175 0.000 3.146 627 W HA 0.825 5.485 4.660 -0.000 0.000 0.319 627 W C -1.418 175.248 176.519 0.244 0.000 1.258 627 W CA -0.998 56.475 57.345 0.213 0.000 1.189 627 W CB 0.682 30.320 29.460 0.298 0.000 1.412 627 W HN 0.839 nan 8.180 nan 0.000 0.567 628 G N 0.306 109.050 108.800 -0.093 0.000 2.608 628 G HA2 0.542 4.502 3.960 -0.000 0.000 0.291 628 G HA3 0.542 4.502 3.960 -0.000 0.000 0.291 628 G C -2.715 172.195 174.900 0.017 0.000 1.425 628 G CA -0.737 44.184 45.100 -0.298 0.000 0.787 628 G HN 0.624 nan 8.290 nan 0.000 0.484 629 W N 0.797 122.028 121.300 -0.115 0.000 2.761 629 W HA 0.552 5.212 4.660 -0.000 0.000 0.340 629 W C 0.824 177.386 176.519 0.072 0.000 1.072 629 W CA 0.519 57.867 57.345 0.005 0.000 1.215 629 W CB 1.761 31.242 29.460 0.034 0.000 1.420 629 W HN 1.226 nan 8.180 nan 0.000 0.519 630 S N 1.694 117.673 115.700 0.464 0.000 3.762 630 S HA -0.435 4.035 4.470 -0.000 0.000 0.627 630 S C 0.778 175.422 174.600 0.074 0.000 2.389 630 S CA 1.295 59.717 58.200 0.369 0.000 3.978 630 S CB -1.494 62.039 63.200 0.554 0.000 0.234 630 S HN 0.726 nan 8.310 nan 0.000 0.960 631 Y N 3.173 123.361 120.300 -0.188 0.000 2.219 631 Y HA -0.192 4.358 4.550 -0.000 0.000 0.283 631 Y C 2.539 178.294 175.900 -0.241 0.000 1.191 631 Y CA 2.393 60.334 58.100 -0.264 0.000 1.199 631 Y CB -1.060 37.102 38.460 -0.498 0.000 0.972 631 Y HN 0.671 nan 8.280 nan 0.000 0.527 632 G N -1.216 107.491 108.800 -0.156 0.000 2.440 632 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.218 632 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.218 632 G C 1.927 176.833 174.900 0.010 0.000 1.154 632 G CA 0.861 45.943 45.100 -0.030 0.000 0.767 632 G HN 0.575 nan 8.290 nan 0.000 0.552 633 G N -0.519 108.295 108.800 0.023 0.000 2.421 633 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.217 633 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.217 633 G C 1.605 176.511 174.900 0.010 0.000 1.143 633 G CA 0.961 46.076 45.100 0.024 0.000 0.784 633 G HN 0.424 nan 8.290 nan 0.000 0.541 634 Y N 1.339 121.517 120.300 -0.203 0.000 2.181 634 Y HA -0.130 4.420 4.550 -0.000 0.000 0.288 634 Y C 2.651 178.428 175.900 -0.206 0.000 1.146 634 Y CA 1.642 59.564 58.100 -0.298 0.000 1.164 634 Y CB -0.257 37.864 38.460 -0.565 0.000 0.982 634 Y HN 0.044 nan 8.280 nan 0.000 0.515 635 V N -0.803 119.020 119.914 -0.152 0.000 2.302 635 V HA -0.246 3.874 4.120 -0.000 0.000 0.243 635 V C 2.291 178.293 176.094 -0.153 0.000 1.036 635 V CA 2.224 64.429 62.300 -0.157 0.000 1.020 635 V CB -1.173 30.697 31.823 0.078 0.000 0.657 635 V HN 0.410 nan 8.190 nan 0.000 0.453 636 T N 0.098 114.607 114.554 -0.077 0.000 2.620 636 T HA -0.270 4.080 4.350 -0.000 0.000 0.267 636 T C 2.156 176.781 174.700 -0.124 0.000 1.044 636 T CA 2.299 64.351 62.100 -0.080 0.000 1.161 636 T CB -0.357 68.538 68.868 0.045 0.000 0.862 636 T HN 0.445 nan 8.240 nan 0.000 0.438 637 S N 0.466 116.123 115.700 -0.070 0.000 2.368 637 S HA -0.032 4.438 4.470 -0.000 0.000 0.225 637 S C 2.131 176.620 174.600 -0.185 0.000 1.030 637 S CA 0.950 59.117 58.200 -0.054 0.000 0.999 637 S CB -0.280 62.951 63.200 0.052 0.000 0.844 637 S HN 0.291 nan 8.310 nan 0.000 0.459 638 M N 0.775 120.191 119.600 -0.308 0.000 2.159 638 M HA -0.035 4.445 4.480 -0.000 0.000 0.263 638 M C 2.174 178.308 176.300 -0.276 0.000 1.063 638 M CA 1.058 56.153 55.300 -0.341 0.000 1.110 638 M CB -1.446 30.848 32.600 -0.510 0.000 1.374 638 M HN 0.168 nan 8.290 nan 0.000 0.411 639 V N 0.574 120.329 119.914 -0.265 0.000 2.223 639 V HA -0.261 3.858 4.120 -0.000 0.000 0.244 639 V C 2.530 178.440 176.094 -0.306 0.000 1.045 639 V CA 1.450 63.605 62.300 -0.242 0.000 1.000 639 V CB -0.645 30.988 31.823 -0.316 0.000 0.635 639 V HN 0.407 nan 8.190 nan 0.000 0.445 640 L N 0.272 121.240 121.223 -0.425 0.000 2.270 640 L HA -0.166 4.174 4.340 -0.000 0.000 0.217 640 L C 1.917 178.302 176.870 -0.807 0.000 1.107 640 L CA 1.612 56.124 54.840 -0.547 0.000 0.772 640 L CB -0.723 40.954 42.059 -0.637 0.000 0.902 640 L HN 0.545 nan 8.230 nan 0.000 0.439 641 G N -1.943 106.386 108.800 -0.786 0.000 3.690 641 G HA2 0.070 4.030 3.960 -0.000 0.000 0.283 641 G HA3 0.070 4.030 3.960 -0.000 0.000 0.283 641 G C 1.180 175.897 174.900 -0.305 0.000 1.057 641 G CA 0.495 45.168 45.100 -0.712 0.000 0.821 641 G HN 0.386 nan 8.290 nan 0.000 0.526 642 S N -1.109 114.453 115.700 -0.231 0.000 2.524 642 S HA 0.338 4.808 4.470 -0.000 0.000 0.216 642 S C 1.969 176.519 174.600 -0.083 0.000 0.987 642 S CA 0.980 59.108 58.200 -0.120 0.000 0.909 642 S CB 0.123 63.275 63.200 -0.079 0.000 0.781 642 S HN 1.339 nan 8.310 nan 0.000 0.521 643 G N 1.721 110.461 108.800 -0.100 0.000 2.179 643 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.260 643 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.260 643 G C 1.124 176.005 174.900 -0.031 0.000 0.977 643 G CA 0.967 46.029 45.100 -0.062 0.000 0.641 643 G HN 1.362 nan 8.290 nan 0.000 0.533 644 S N 0.467 116.158 115.700 -0.014 0.000 2.441 644 S HA 0.151 4.621 4.470 -0.000 0.000 0.242 644 S C 2.531 177.129 174.600 -0.004 0.000 1.018 644 S CA 1.612 59.814 58.200 0.004 0.000 0.988 644 S CB -0.880 62.351 63.200 0.051 0.000 0.778 644 S HN 2.402 nan 8.310 nan 0.000 0.498 645 G N 0.172 108.975 108.800 0.005 0.000 2.439 645 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.305 645 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.305 645 G C 0.538 175.426 174.900 -0.019 0.000 0.966 645 G CA 0.564 45.666 45.100 0.003 0.000 0.890 645 G HN 0.757 nan 8.290 nan 0.000 0.513 646 V N -1.422 118.472 119.914 -0.032 0.000 3.506 646 V HA 0.340 4.460 4.120 -0.000 0.000 0.263 646 V C 0.722 176.586 176.094 -0.384 0.000 1.203 646 V CA 0.736 62.907 62.300 -0.215 0.000 1.133 646 V CB -0.198 31.440 31.823 -0.308 0.000 0.802 646 V HN 0.324 nan 8.190 nan 0.000 0.459 647 F N -0.333 119.620 119.950 0.005 0.000 2.495 647 F HA 0.417 4.944 4.527 -0.000 0.000 0.327 647 F C 1.018 176.847 175.800 0.048 0.000 1.103 647 F CA -0.654 57.373 58.000 0.044 0.000 0.949 647 F CB 1.851 40.880 39.000 0.049 0.000 1.142 647 F HN -0.292 nan 8.300 nan 0.000 0.457 648 K N 1.573 122.127 120.400 0.257 0.000 2.076 648 K HA 0.063 4.383 4.320 -0.000 0.000 0.204 648 K C -0.197 176.519 176.600 0.193 0.000 1.051 648 K CA 1.079 57.479 56.287 0.189 0.000 0.949 648 K CB 0.218 32.837 32.500 0.198 0.000 0.726 648 K HN 0.758 nan 8.250 nan 0.000 0.443 649 c N -2.325 116.419 118.600 0.240 0.000 3.239 649 c HA 0.879 5.449 4.570 -0.000 0.000 0.329 649 c C -0.069 174.184 174.090 0.273 0.000 1.252 649 c CA -0.784 55.675 56.329 0.217 0.000 1.323 649 c CB 1.120 43.640 42.510 0.016 0.000 1.663 649 c HN 0.366 nan 8.230 nan 0.000 0.487 650 G N 0.369 109.388 108.800 0.365 0.000 2.725 650 G HA2 0.830 4.790 3.960 -0.000 0.000 0.288 650 G HA3 0.830 4.790 3.960 -0.000 0.000 0.288 650 G C -1.850 173.381 174.900 0.551 0.000 1.399 650 G CA -0.892 44.442 45.100 0.389 0.000 0.859 650 G HN 0.981 nan 8.290 nan 0.000 0.479 651 I N 0.525 121.379 120.570 0.473 0.000 2.499 651 I HA 0.574 4.744 4.170 -0.000 0.000 0.288 651 I C -0.029 176.272 176.117 0.307 0.000 1.048 651 I CA -0.903 60.599 61.300 0.335 0.000 1.062 651 I CB 2.282 40.466 38.000 0.306 0.000 1.238 651 I HN 0.600 nan 8.210 nan 0.000 0.426 652 A N 6.461 129.372 122.820 0.151 0.000 2.291 652 A HA 0.745 5.065 4.320 -0.000 0.000 0.311 652 A C -0.714 176.812 177.584 -0.097 0.000 1.224 652 A CA -0.503 51.593 52.037 0.099 0.000 0.821 652 A CB 1.057 20.169 19.000 0.187 0.000 1.172 652 A HN 0.440 nan 8.150 nan 0.000 0.494 653 V N 2.501 122.300 119.914 -0.192 0.000 2.333 653 V HA 0.524 4.643 4.120 -0.000 0.000 0.274 653 V C 0.911 176.601 176.094 -0.672 0.000 1.028 653 V CA 0.445 62.394 62.300 -0.585 0.000 0.851 653 V CB 0.343 31.517 31.823 -1.083 0.000 1.000 653 V HN 2.059 nan 8.190 nan 0.000 0.456 654 A N 6.177 128.622 122.820 -0.625 0.000 2.519 654 A HA -0.097 4.223 4.320 -0.000 0.000 0.297 654 A C -1.715 175.698 177.584 -0.284 0.000 1.472 654 A CA 0.164 51.718 52.037 -0.805 0.000 0.739 654 A CB -1.494 17.061 19.000 -0.743 0.000 1.096 654 A HN 0.610 nan 8.150 nan 0.000 0.414 655 P HA 0.388 nan 4.420 nan 0.000 0.274 655 P C 0.448 177.698 177.300 -0.083 0.000 1.237 655 P CA -0.176 62.885 63.100 -0.066 0.000 0.793 655 P CB 0.963 32.648 31.700 -0.025 0.000 0.977 656 V N 1.522 121.305 119.914 -0.218 0.000 2.924 656 V HA 0.115 4.235 4.120 -0.000 0.000 0.305 656 V C 1.629 177.568 176.094 -0.257 0.000 1.073 656 V CA 1.183 63.240 62.300 -0.405 0.000 1.098 656 V CB 0.797 31.986 31.823 -1.057 0.000 1.000 656 V HN 0.895 nan 8.190 nan 0.000 0.484 657 S N 2.367 117.921 115.700 -0.242 0.000 2.648 657 S HA 0.317 4.787 4.470 -0.000 0.000 0.270 657 S C 0.349 174.820 174.600 -0.215 0.000 1.080 657 S CA -0.415 57.715 58.200 -0.116 0.000 1.159 657 S CB 0.398 63.590 63.200 -0.015 0.000 1.091 657 S HN 0.687 nan 8.310 nan 0.000 0.605 658 R N -0.644 119.621 120.500 -0.392 0.000 2.522 658 R HA 0.287 4.627 4.340 -0.000 0.000 0.273 658 R C -1.107 174.927 176.300 -0.443 0.000 1.133 658 R CA -0.564 55.251 56.100 -0.476 0.000 0.969 658 R CB 0.533 30.404 30.300 -0.716 0.000 1.235 658 R HN 0.307 nan 8.270 nan 0.000 0.433 659 W N 2.169 123.428 121.300 -0.070 0.000 2.465 659 W HA -0.055 4.605 4.660 -0.000 0.000 0.268 659 W C 1.304 177.964 176.519 0.234 0.000 1.242 659 W CA 0.618 57.997 57.345 0.056 0.000 1.248 659 W CB 0.407 29.832 29.460 -0.058 0.000 1.118 659 W HN 0.634 nan 8.180 nan 0.000 0.587 660 E N -0.709 119.673 120.200 0.303 0.000 2.409 660 E HA -0.193 4.157 4.350 -0.000 0.000 0.198 660 E C 1.195 177.949 176.600 0.255 0.000 1.024 660 E CA 0.721 57.230 56.400 0.181 0.000 0.861 660 E CB -0.290 29.398 29.700 -0.019 0.000 0.788 660 E HN 0.411 nan 8.360 nan 0.000 0.521 661 Y N -0.948 119.477 120.300 0.208 0.000 2.448 661 Y HA 0.040 4.590 4.550 -0.000 0.000 0.289 661 Y C 0.962 177.008 175.900 0.242 0.000 1.114 661 Y CA -0.315 57.883 58.100 0.162 0.000 1.235 661 Y CB -0.504 37.999 38.460 0.073 0.000 1.045 661 Y HN 0.014 nan 8.280 nan 0.000 0.554 662 Y N 2.151 122.656 120.300 0.342 0.000 2.326 662 Y HA 0.240 4.790 4.550 -0.000 0.000 0.324 662 Y C 0.363 176.503 175.900 0.400 0.000 1.291 662 Y CA -1.936 56.374 58.100 0.349 0.000 1.348 662 Y CB 0.322 39.024 38.460 0.404 0.000 1.294 662 Y HN 0.206 nan 8.280 nan 0.000 0.525 663 D N 0.149 120.337 120.400 -0.353 0.000 2.472 663 D HA 0.013 4.653 4.640 -0.000 0.000 0.237 663 D C 0.985 177.281 176.300 -0.007 0.000 1.141 663 D CA 0.569 54.398 54.000 -0.285 0.000 0.875 663 D CB 0.915 41.343 40.800 -0.621 0.000 1.192 663 D HN 0.532 nan 8.370 nan 0.000 0.450 664 S N 1.957 117.655 115.700 -0.004 0.000 2.368 664 S HA -0.288 4.182 4.470 -0.000 0.000 0.226 664 S C 1.943 176.549 174.600 0.009 0.000 1.044 664 S CA 1.300 59.535 58.200 0.057 0.000 1.062 664 S CB -1.047 62.196 63.200 0.071 0.000 0.931 664 S HN 0.449 nan 8.310 nan 0.000 0.440 665 V N 0.799 120.648 119.914 -0.107 0.000 2.287 665 V HA -0.176 3.943 4.120 -0.000 0.000 0.248 665 V C 2.268 178.229 176.094 -0.222 0.000 1.053 665 V CA 2.271 64.397 62.300 -0.290 0.000 1.027 665 V CB -0.937 30.558 31.823 -0.548 0.000 0.646 665 V HN 0.620 nan 8.190 nan 0.000 0.447 666 Y N 0.989 121.181 120.300 -0.180 0.000 2.133 666 Y HA -0.233 4.317 4.550 -0.000 0.000 0.287 666 Y C 2.702 178.473 175.900 -0.215 0.000 1.134 666 Y CA 2.406 60.440 58.100 -0.110 0.000 1.133 666 Y CB -0.418 38.200 38.460 0.264 0.000 0.987 666 Y HN 0.239 nan 8.280 nan 0.000 0.502 667 T N 0.148 114.786 114.554 0.140 0.000 2.701 667 T HA -0.168 4.182 4.350 -0.000 0.000 0.263 667 T C 1.499 176.090 174.700 -0.181 0.000 1.040 667 T CA 1.789 63.905 62.100 0.026 0.000 1.147 667 T CB -0.320 68.748 68.868 0.333 0.000 0.865 667 T HN 0.392 nan 8.240 nan 0.000 0.426 668 E N 0.670 120.828 120.200 -0.071 0.000 2.333 668 E HA -0.106 4.244 4.350 -0.000 0.000 0.198 668 E C 2.249 178.716 176.600 -0.221 0.000 1.007 668 E CA 0.462 56.828 56.400 -0.057 0.000 0.845 668 E CB -0.091 29.636 29.700 0.044 0.000 0.766 668 E HN 0.338 nan 8.360 nan 0.000 0.507 669 R N 0.254 120.450 120.500 -0.507 0.000 2.070 669 R HA -0.175 4.165 4.340 -0.000 0.000 0.233 669 R C 1.288 177.108 176.300 -0.800 0.000 1.137 669 R CA 1.592 57.229 56.100 -0.772 0.000 0.945 669 R CB -0.081 29.416 30.300 -1.339 0.000 0.845 669 R HN 0.213 nan 8.270 nan 0.000 0.430 670 Y N -1.523 118.409 120.300 -0.615 0.000 2.500 670 Y HA 0.228 4.777 4.550 -0.000 0.000 0.270 670 Y C 1.483 177.164 175.900 -0.366 0.000 1.134 670 Y CA 0.042 57.786 58.100 -0.594 0.000 1.293 670 Y CB 0.501 38.484 38.460 -0.795 0.000 1.063 670 Y HN 0.033 nan 8.280 nan 0.000 0.534 671 M N -0.860 118.610 119.600 -0.215 0.000 2.279 671 M HA 0.373 4.853 4.480 -0.000 0.000 0.306 671 M C 1.095 177.384 176.300 -0.019 0.000 0.965 671 M CA 0.692 55.866 55.300 -0.209 0.000 1.038 671 M CB 0.062 32.355 32.600 -0.511 0.000 1.636 671 M HN 0.269 nan 8.290 nan 0.000 0.574 672 G N 2.181 110.993 108.800 0.020 0.000 2.692 672 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.248 672 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.248 672 G C -0.375 174.654 174.900 0.215 0.000 1.340 672 G CA -0.637 44.522 45.100 0.097 0.000 0.896 672 G HN 0.368 nan 8.290 nan 0.000 0.570 673 L N 1.204 122.527 121.223 0.167 0.000 2.418 673 L HA 0.421 4.761 4.340 -0.000 0.000 0.265 673 L C -1.421 175.498 176.870 0.082 0.000 1.143 673 L CA -1.641 53.272 54.840 0.122 0.000 0.809 673 L CB 1.272 43.359 42.059 0.048 0.000 1.124 673 L HN 0.422 nan 8.230 nan 0.000 0.456 674 P HA 0.084 nan 4.420 nan 0.000 0.220 674 P C -0.326 176.832 177.300 -0.237 0.000 1.793 674 P CA -0.208 62.511 63.100 -0.635 0.000 0.917 674 P CB -0.366 30.624 31.700 -1.183 0.000 1.755 675 T N -3.447 111.056 114.554 -0.085 0.000 2.944 675 T HA 0.453 4.803 4.350 -0.000 0.000 0.284 675 T C -2.017 172.682 174.700 -0.002 0.000 1.010 675 T CA -2.370 59.707 62.100 -0.037 0.000 1.025 675 T CB 1.381 70.241 68.868 -0.013 0.000 1.079 675 T HN -0.261 nan 8.240 nan 0.000 0.516 676 P HA 0.013 nan 4.420 nan 0.000 0.222 676 P C 0.830 178.148 177.300 0.028 0.000 1.147 676 P CA 0.788 63.901 63.100 0.021 0.000 0.790 676 P CB 0.018 31.727 31.700 0.015 0.000 0.780 677 E N -1.155 119.058 120.200 0.022 0.000 2.358 677 E HA -0.070 4.280 4.350 -0.000 0.000 0.195 677 E C 1.279 177.900 176.600 0.035 0.000 1.010 677 E CA 0.785 57.200 56.400 0.024 0.000 0.856 677 E CB -0.375 29.334 29.700 0.015 0.000 0.795 677 E HN 0.290 nan 8.360 nan 0.000 0.504 678 D N -0.535 119.894 120.400 0.048 0.000 3.180 678 D HA 0.137 4.777 4.640 -0.000 0.000 0.226 678 D C 0.089 176.452 176.300 0.104 0.000 1.252 678 D CA -0.089 53.953 54.000 0.070 0.000 1.287 678 D CB -0.029 40.818 40.800 0.078 0.000 0.919 678 D HN -0.036 nan 8.370 nan 0.000 0.186 679 N N 0.644 119.446 118.700 0.169 0.000 2.338 679 N HA 0.176 4.916 4.740 -0.000 0.000 0.251 679 N C 1.378 177.100 175.510 0.353 0.000 1.199 679 N CA -0.124 53.075 53.050 0.249 0.000 0.879 679 N CB 0.700 39.354 38.487 0.277 0.000 1.159 679 N HN 0.097 nan 8.380 nan 0.000 0.514 680 L N 0.334 121.676 121.223 0.198 0.000 2.012 680 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 680 L C 1.273 178.256 176.870 0.188 0.000 1.073 680 L CA 1.686 56.612 54.840 0.144 0.000 0.748 680 L CB -0.263 41.821 42.059 0.042 0.000 0.891 680 L HN 0.354 nan 8.230 nan 0.000 0.431 681 D N -1.148 119.343 120.400 0.152 0.000 2.126 681 D HA -0.296 4.344 4.640 -0.000 0.000 0.190 681 D C 2.015 178.407 176.300 0.154 0.000 1.001 681 D CA 1.618 55.695 54.000 0.129 0.000 0.841 681 D CB -0.478 40.390 40.800 0.112 0.000 0.949 681 D HN 0.471 nan 8.370 nan 0.000 0.446 682 H N -0.666 118.476 119.070 0.121 0.000 2.357 682 H HA -0.119 4.437 4.556 -0.000 0.000 0.301 682 H C 2.023 177.428 175.328 0.129 0.000 1.082 682 H CA 1.049 57.148 56.048 0.086 0.000 1.342 682 H CB -0.188 29.587 29.762 0.022 0.000 1.389 682 H HN 0.202 nan 8.280 nan 0.000 0.511 683 Y N 0.887 121.219 120.300 0.053 0.000 2.228 683 Y HA -0.270 4.279 4.550 -0.000 0.000 0.285 683 Y C 2.753 178.639 175.900 -0.023 0.000 1.178 683 Y CA 1.842 59.978 58.100 0.059 0.000 1.202 683 Y CB -0.011 38.498 38.460 0.081 0.000 0.974 683 Y HN 0.129 nan 8.280 nan 0.000 0.527 684 R N -0.249 120.323 120.500 0.119 0.000 2.055 684 R HA -0.052 4.288 4.340 -0.000 0.000 0.226 684 R C 1.841 178.115 176.300 -0.043 0.000 1.135 684 R CA 1.191 57.310 56.100 0.032 0.000 0.959 684 R CB -0.768 29.555 30.300 0.039 0.000 0.854 684 R HN 0.162 nan 8.270 nan 0.000 0.431 685 N N 0.136 118.778 118.700 -0.097 0.000 2.322 685 N HA -0.124 4.616 4.740 -0.000 0.000 0.189 685 N C 0.017 175.422 175.510 -0.175 0.000 1.012 685 N CA 1.613 54.582 53.050 -0.134 0.000 0.880 685 N CB -0.057 38.341 38.487 -0.149 0.000 0.967 685 N HN 0.240 nan 8.380 nan 0.000 0.439 686 S N -1.559 114.010 115.700 -0.219 0.000 2.457 686 S HA 0.251 4.721 4.470 -0.000 0.000 0.237 686 S C 0.038 174.656 174.600 0.031 0.000 1.213 686 S CA -0.839 57.295 58.200 -0.109 0.000 1.218 686 S CB -0.152 62.956 63.200 -0.153 0.000 0.922 686 S HN 0.166 nan 8.310 nan 0.000 0.488 687 T N -2.159 112.375 114.554 -0.033 0.000 2.925 687 T HA 0.538 4.888 4.350 -0.000 0.000 0.285 687 T C 1.277 175.936 174.700 -0.068 0.000 1.021 687 T CA -0.751 61.321 62.100 -0.048 0.000 1.042 687 T CB 1.427 70.252 68.868 -0.072 0.000 1.037 687 T HN -0.042 nan 8.240 nan 0.000 0.481 688 V N 1.549 121.415 119.914 -0.080 0.000 2.469 688 V HA -0.180 3.940 4.120 -0.000 0.000 0.251 688 V C 2.500 178.563 176.094 -0.051 0.000 1.064 688 V CA 1.832 64.085 62.300 -0.079 0.000 1.066 688 V CB -0.986 30.793 31.823 -0.074 0.000 0.667 688 V HN 0.803 nan 8.190 nan 0.000 0.461 689 M N 0.856 120.417 119.600 -0.065 0.000 2.132 689 M HA -0.123 4.357 4.480 -0.000 0.000 0.263 689 M C 2.372 178.650 176.300 -0.037 0.000 1.065 689 M CA 2.008 57.268 55.300 -0.066 0.000 1.122 689 M CB -0.965 31.605 32.600 -0.050 0.000 1.365 689 M HN 0.495 nan 8.290 nan 0.000 0.411 690 S N -0.253 115.430 115.700 -0.028 0.000 2.488 690 S HA -0.152 4.318 4.470 -0.000 0.000 0.246 690 S C 1.601 176.205 174.600 0.006 0.000 0.992 690 S CA 1.028 59.219 58.200 -0.014 0.000 0.963 690 S CB -0.614 62.573 63.200 -0.023 0.000 0.754 690 S HN 0.519 nan 8.310 nan 0.000 0.519 691 R N -0.215 120.305 120.500 0.035 0.000 2.596 691 R HA 0.466 4.806 4.340 -0.000 0.000 0.369 691 R C 1.799 178.227 176.300 0.212 0.000 1.042 691 R CA 0.415 56.565 56.100 0.082 0.000 1.120 691 R CB 0.113 30.448 30.300 0.059 0.000 1.353 691 R HN 0.402 nan 8.270 nan 0.000 0.564 692 A N 1.326 124.215 122.820 0.115 0.000 1.978 692 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 692 A C 1.775 179.474 177.584 0.192 0.000 1.170 692 A CA 1.238 53.325 52.037 0.084 0.000 0.636 692 A CB -0.060 18.890 19.000 -0.082 0.000 0.810 692 A HN 0.195 nan 8.150 nan 0.000 0.448 693 E N 0.617 120.888 120.200 0.118 0.000 2.058 693 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 693 E C 1.682 178.340 176.600 0.097 0.000 0.997 693 E CA 1.364 57.817 56.400 0.089 0.000 0.801 693 E CB -0.487 29.242 29.700 0.049 0.000 0.746 693 E HN 0.700 nan 8.360 nan 0.000 0.450 694 N N 0.440 119.181 118.700 0.068 0.000 2.223 694 N HA -0.133 4.607 4.740 -0.000 0.000 0.185 694 N C 1.786 177.273 175.510 -0.038 0.000 1.016 694 N CA 0.666 53.703 53.050 -0.021 0.000 0.863 694 N CB -0.461 37.957 38.487 -0.115 0.000 0.983 694 N HN 0.141 nan 8.380 nan 0.000 0.429 695 F N 1.947 121.851 119.950 -0.075 0.000 2.323 695 F HA -0.149 4.378 4.527 -0.000 0.000 0.301 695 F C 2.217 178.022 175.800 0.007 0.000 1.060 695 F CA 1.002 58.957 58.000 -0.076 0.000 1.398 695 F CB -0.266 38.650 39.000 -0.139 0.000 1.075 695 F HN -0.018 nan 8.300 nan 0.000 0.540 696 K N -0.071 120.426 120.400 0.161 0.000 2.113 696 K HA -0.243 4.077 4.320 -0.000 0.000 0.208 696 K C 2.039 178.695 176.600 0.092 0.000 1.047 696 K CA 1.648 58.008 56.287 0.121 0.000 0.928 696 K CB -0.198 32.354 32.500 0.086 0.000 0.716 696 K HN 0.425 nan 8.250 nan 0.000 0.446 697 Q N 0.218 120.047 119.800 0.050 0.000 2.020 697 Q HA -0.045 4.295 4.340 -0.000 0.000 0.198 697 Q C 1.021 177.054 176.000 0.055 0.000 0.974 697 Q CA 1.037 56.860 55.803 0.034 0.000 0.829 697 Q CB -0.091 28.645 28.738 -0.003 0.000 0.894 697 Q HN 0.215 nan 8.270 nan 0.000 0.433 698 V N -0.694 119.244 119.914 0.040 0.000 3.036 698 V HA 0.260 4.380 4.120 -0.000 0.000 0.308 698 V C -0.367 175.839 176.094 0.187 0.000 1.070 698 V CA -0.837 61.512 62.300 0.081 0.000 1.056 698 V CB 1.343 33.153 31.823 -0.022 0.000 1.084 698 V HN 0.078 nan 8.190 nan 0.000 0.471 699 E N 1.672 122.018 120.200 0.244 0.000 2.146 699 E HA 0.368 4.718 4.350 -0.000 0.000 0.282 699 E C -1.515 175.429 176.600 0.573 0.000 0.989 699 E CA -0.419 56.207 56.400 0.376 0.000 0.799 699 E CB 1.314 31.207 29.700 0.322 0.000 1.088 699 E HN 0.693 nan 8.360 nan 0.000 0.397 700 Y N 3.008 123.561 120.300 0.420 0.000 2.419 700 Y HA 0.509 5.059 4.550 -0.000 0.000 0.328 700 Y C -1.097 174.911 175.900 0.180 0.000 1.162 700 Y CA -1.663 56.652 58.100 0.358 0.000 1.174 700 Y CB 1.135 39.811 38.460 0.361 0.000 1.228 700 Y HN 0.381 nan 8.280 nan 0.000 0.473 701 L N 6.903 128.048 121.223 -0.130 0.000 2.529 701 L HA 0.427 4.767 4.340 -0.000 0.000 0.260 701 L C -2.198 174.368 176.870 -0.507 0.000 0.997 701 L CA -0.610 53.922 54.840 -0.514 0.000 0.885 701 L CB 1.036 42.479 42.059 -1.027 0.000 1.185 701 L HN 0.532 nan 8.230 nan 0.000 0.442 702 L N 5.926 126.835 121.223 -0.523 0.000 2.261 702 L HA 0.612 4.951 4.340 -0.000 0.000 0.289 702 L C -0.832 175.925 176.870 -0.189 0.000 1.059 702 L CA 0.321 54.897 54.840 -0.440 0.000 0.816 702 L CB 0.543 42.328 42.059 -0.457 0.000 1.191 702 L HN 0.554 nan 8.230 nan 0.000 0.431 703 I N 4.736 125.202 120.570 -0.174 0.000 2.493 703 I HA 0.470 4.640 4.170 -0.000 0.000 0.298 703 I C -0.781 175.301 176.117 -0.058 0.000 0.998 703 I CA -0.636 60.612 61.300 -0.087 0.000 1.137 703 I CB 1.669 39.584 38.000 -0.143 0.000 1.310 703 I HN 0.663 nan 8.210 nan 0.000 0.445 704 H N 2.146 121.227 119.070 0.019 0.000 3.112 704 H HA 0.479 5.035 4.556 -0.000 0.000 0.347 704 H C -0.414 175.123 175.328 0.349 0.000 1.188 704 H CA -0.631 55.453 56.048 0.060 0.000 1.240 704 H CB 1.731 31.382 29.762 -0.186 0.000 1.920 704 H HN 0.716 nan 8.280 nan 0.000 0.535 705 G N 0.324 109.486 108.800 0.602 0.000 2.476 705 G HA2 0.274 4.234 3.960 -0.000 0.000 0.286 705 G HA3 0.274 4.234 3.960 -0.000 0.000 0.286 705 G C 0.977 176.267 174.900 0.650 0.000 1.177 705 G CA 0.089 45.545 45.100 0.593 0.000 0.870 705 G HN 0.716 nan 8.290 nan 0.000 0.528 706 T N -1.932 112.887 114.554 0.443 0.000 3.067 706 T HA 0.214 4.564 4.350 -0.000 0.000 0.257 706 T C 1.743 176.543 174.700 0.166 0.000 1.105 706 T CA 1.022 63.250 62.100 0.215 0.000 1.104 706 T CB 0.320 69.225 68.868 0.062 0.000 0.925 706 T HN 0.628 nan 8.240 nan 0.000 0.498 707 A N 1.240 124.211 122.820 0.252 0.000 2.415 707 A HA 0.274 4.594 4.320 -0.000 0.000 0.248 707 A C 0.705 178.295 177.584 0.011 0.000 1.299 707 A CA -0.393 51.786 52.037 0.238 0.000 0.899 707 A CB -0.392 18.960 19.000 0.586 0.000 0.997 707 A HN 0.345 nan 8.150 nan 0.000 0.506 708 D N 1.795 122.227 120.400 0.053 0.000 2.385 708 D HA -0.050 4.590 4.640 -0.000 0.000 0.260 708 D C 0.722 176.985 176.300 -0.063 0.000 1.326 708 D CA 0.308 54.406 54.000 0.163 0.000 1.023 708 D CB 0.296 41.357 40.800 0.436 0.000 1.083 708 D HN 0.592 nan 8.370 nan 0.000 0.517 709 D N 2.512 122.874 120.400 -0.063 0.000 2.178 709 D HA -0.207 4.433 4.640 -0.000 0.000 0.202 709 D C 1.187 177.361 176.300 -0.211 0.000 0.974 709 D CA 0.175 54.051 54.000 -0.208 0.000 0.841 709 D CB 0.205 40.773 40.800 -0.387 0.000 0.953 709 D HN 0.255 nan 8.370 nan 0.000 0.478 710 N N 0.999 119.722 118.700 0.038 0.000 2.093 710 N HA -0.089 4.651 4.740 -0.000 0.000 0.191 710 N C 0.080 175.502 175.510 -0.146 0.000 1.062 710 N CA 0.739 53.889 53.050 0.167 0.000 0.854 710 N CB 0.017 38.644 38.487 0.234 0.000 1.043 710 N HN -0.039 nan 8.380 nan 0.000 0.438 711 V N 2.476 122.363 119.914 -0.046 0.000 2.288 711 V HA 0.179 4.299 4.120 -0.000 0.000 0.266 711 V C -0.516 175.625 176.094 0.078 0.000 1.048 711 V CA -0.363 61.942 62.300 0.007 0.000 0.842 711 V CB -0.274 31.574 31.823 0.042 0.000 1.064 711 V HN 0.298 nan 8.190 nan 0.000 0.472 712 H N 2.949 122.003 119.070 -0.026 0.000 2.871 712 H HA 0.037 4.593 4.556 -0.000 0.000 0.355 712 H C 0.800 175.992 175.328 -0.227 0.000 1.092 712 H CA -0.052 55.890 56.048 -0.176 0.000 1.420 712 H CB 0.885 30.456 29.762 -0.318 0.000 1.400 712 H HN 0.598 nan 8.280 nan 0.000 0.604 713 F N 1.685 121.429 119.950 -0.342 0.000 2.115 713 F HA -0.344 4.183 4.527 -0.000 0.000 0.300 713 F C 2.686 178.249 175.800 -0.394 0.000 1.092 713 F CA 1.929 59.547 58.000 -0.636 0.000 1.245 713 F CB -0.169 38.603 39.000 -0.380 0.000 0.995 713 F HN 0.696 nan 8.300 nan 0.000 0.481 714 Q N 0.113 119.864 119.800 -0.082 0.000 2.167 714 Q HA -0.401 3.938 4.340 -0.000 0.000 0.218 714 Q C 2.137 177.965 176.000 -0.286 0.000 1.033 714 Q CA 2.787 58.462 55.803 -0.213 0.000 0.918 714 Q CB -0.473 28.047 28.738 -0.364 0.000 1.019 714 Q HN 0.595 nan 8.270 nan 0.000 0.417 715 Q N -0.501 119.153 119.800 -0.245 0.000 2.002 715 Q HA -0.145 4.195 4.340 -0.000 0.000 0.204 715 Q C 2.318 178.257 176.000 -0.101 0.000 0.988 715 Q CA 1.841 57.616 55.803 -0.047 0.000 0.843 715 Q CB -0.280 28.502 28.738 0.072 0.000 0.908 715 Q HN 0.338 nan 8.270 nan 0.000 0.420 716 S N 0.402 115.943 115.700 -0.265 0.000 2.447 716 S HA -0.035 4.435 4.470 -0.000 0.000 0.233 716 S C 1.908 176.323 174.600 -0.308 0.000 1.006 716 S CA 0.727 58.750 58.200 -0.295 0.000 0.957 716 S CB -0.075 62.881 63.200 -0.407 0.000 0.773 716 S HN 0.455 nan 8.310 nan 0.000 0.507 717 A N 1.186 123.814 122.820 -0.321 0.000 1.897 717 A HA -0.070 4.250 4.320 -0.000 0.000 0.215 717 A C 2.145 179.706 177.584 -0.038 0.000 1.181 717 A CA 0.903 52.894 52.037 -0.076 0.000 0.620 717 A CB -0.415 18.633 19.000 0.080 0.000 0.821 717 A HN 0.335 nan 8.150 nan 0.000 0.443 718 Q N -0.152 119.621 119.800 -0.045 0.000 2.124 718 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 718 Q C 2.141 178.124 176.000 -0.029 0.000 0.977 718 Q CA 1.208 57.016 55.803 0.008 0.000 0.850 718 Q CB -0.456 28.355 28.738 0.120 0.000 0.901 718 Q HN 0.761 nan 8.270 nan 0.000 0.429 719 I N 1.149 121.676 120.570 -0.071 0.000 2.118 719 I HA -0.335 3.835 4.170 -0.000 0.000 0.241 719 I C 2.465 178.443 176.117 -0.230 0.000 1.070 719 I CA 1.799 63.005 61.300 -0.156 0.000 1.327 719 I CB -0.451 37.456 38.000 -0.156 0.000 1.034 719 I HN 0.223 nan 8.210 nan 0.000 0.405 720 S N 0.148 115.747 115.700 -0.169 0.000 2.402 720 S HA -0.205 4.265 4.470 -0.000 0.000 0.229 720 S C 1.981 176.587 174.600 0.010 0.000 1.021 720 S CA 0.906 59.051 58.200 -0.091 0.000 0.974 720 S CB -0.329 63.001 63.200 0.217 0.000 0.800 720 S HN 0.367 nan 8.310 nan 0.000 0.484 721 K N 1.470 121.869 120.400 -0.001 0.000 2.057 721 K HA 0.044 4.364 4.320 -0.000 0.000 0.206 721 K C 2.380 178.971 176.600 -0.016 0.000 1.050 721 K CA 1.026 57.320 56.287 0.013 0.000 0.935 721 K CB -0.547 31.961 32.500 0.013 0.000 0.715 721 K HN 0.454 nan 8.250 nan 0.000 0.439 722 A N 1.296 124.078 122.820 -0.064 0.000 1.858 722 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 722 A C 2.023 179.541 177.584 -0.110 0.000 1.190 722 A CA 1.355 53.340 52.037 -0.086 0.000 0.617 722 A CB -0.695 18.233 19.000 -0.121 0.000 0.827 722 A HN 0.296 nan 8.150 nan 0.000 0.443 723 L N -0.476 120.623 121.223 -0.207 0.000 2.362 723 L HA -0.104 4.236 4.340 -0.000 0.000 0.219 723 L C 2.220 179.101 176.870 0.017 0.000 1.134 723 L CA 0.382 55.095 54.840 -0.212 0.000 0.807 723 L CB -0.380 41.325 42.059 -0.590 0.000 0.927 723 L HN 0.242 nan 8.230 nan 0.000 0.447 724 V N -0.898 119.055 119.914 0.064 0.000 2.426 724 V HA -0.158 3.962 4.120 -0.000 0.000 0.242 724 V C 1.750 177.879 176.094 0.058 0.000 1.036 724 V CA 1.295 63.661 62.300 0.109 0.000 1.044 724 V CB -0.297 31.596 31.823 0.116 0.000 0.688 724 V HN 0.323 nan 8.190 nan 0.000 0.462 725 D N -0.358 120.061 120.400 0.031 0.000 2.397 725 D HA -0.122 4.518 4.640 -0.000 0.000 0.219 725 D C 1.308 177.622 176.300 0.023 0.000 0.975 725 D CA 1.081 55.094 54.000 0.021 0.000 0.940 725 D CB 0.256 41.062 40.800 0.009 0.000 0.884 725 D HN 0.346 nan 8.370 nan 0.000 0.505 726 V N -1.498 118.434 119.914 0.029 0.000 3.432 726 V HA 0.263 4.383 4.120 -0.000 0.000 0.290 726 V C 0.581 176.705 176.094 0.049 0.000 1.591 726 V CA 0.606 62.925 62.300 0.031 0.000 1.069 726 V CB 0.669 32.505 31.823 0.021 0.000 0.892 726 V HN 0.223 nan 8.190 nan 0.000 0.436 727 G N 1.353 110.191 108.800 0.063 0.000 2.401 727 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.283 727 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.283 727 G C -0.314 174.647 174.900 0.102 0.000 1.117 727 G CA 0.325 45.471 45.100 0.078 0.000 1.051 727 G HN 0.676 nan 8.290 nan 0.000 0.510 728 V N 1.025 121.022 119.914 0.138 0.000 2.378 728 V HA 0.409 4.529 4.120 -0.000 0.000 0.288 728 V C 0.423 176.694 176.094 0.295 0.000 1.016 728 V CA -0.734 61.678 62.300 0.187 0.000 0.840 728 V CB 1.690 33.608 31.823 0.159 0.000 0.994 728 V HN 0.550 nan 8.190 nan 0.000 0.431 729 D N 4.191 124.738 120.400 0.245 0.000 2.382 729 D HA 0.469 5.109 4.640 -0.000 0.000 0.240 729 D C -0.550 175.999 176.300 0.415 0.000 1.146 729 D CA 0.549 54.691 54.000 0.236 0.000 0.897 729 D CB 0.621 41.502 40.800 0.136 0.000 1.197 729 D HN 0.387 nan 8.370 nan 0.000 0.432 730 F N -0.706 119.304 119.950 0.099 0.000 2.770 730 F HA 0.374 4.901 4.527 -0.000 0.000 0.313 730 F C -1.632 174.182 175.800 0.024 0.000 1.154 730 F CA -1.179 56.888 58.000 0.112 0.000 0.923 730 F CB 0.629 39.724 39.000 0.158 0.000 1.301 730 F HN 0.088 nan 8.300 nan 0.000 0.449 731 Q N 1.762 121.562 119.800 -0.001 0.000 2.235 731 Q HA 0.807 5.147 4.340 -0.000 0.000 0.250 731 Q C -0.554 175.339 176.000 -0.179 0.000 0.909 731 Q CA -0.501 55.189 55.803 -0.188 0.000 0.910 731 Q CB 1.933 30.526 28.738 -0.241 0.000 1.223 731 Q HN 1.046 nan 8.270 nan 0.000 0.432 732 A N 1.764 124.460 122.820 -0.207 0.000 2.532 732 A HA 0.875 5.195 4.320 -0.000 0.000 0.290 732 A C -1.247 176.261 177.584 -0.126 0.000 1.143 732 A CA -0.639 51.336 52.037 -0.103 0.000 0.728 732 A CB 1.968 20.966 19.000 -0.004 0.000 1.317 732 A HN 0.619 nan 8.150 nan 0.000 0.414 733 M N 0.891 120.426 119.600 -0.108 0.000 2.355 733 M HA 0.452 4.932 4.480 -0.000 0.000 0.232 733 M C -1.811 174.392 176.300 -0.162 0.000 0.988 733 M CA -0.456 54.656 55.300 -0.313 0.000 0.931 733 M CB 0.769 33.134 32.600 -0.392 0.000 2.294 733 M HN 0.948 nan 8.290 nan 0.000 0.459 734 W N 4.218 125.433 121.300 -0.141 0.000 2.283 734 W HA 0.741 5.401 4.660 -0.000 0.000 0.341 734 W C -1.788 174.566 176.519 -0.276 0.000 1.206 734 W CA -0.539 56.817 57.345 0.018 0.000 1.294 734 W CB 0.248 29.743 29.460 0.058 0.000 1.154 734 W HN 0.612 nan 8.180 nan 0.000 0.613 735 Y N 2.050 122.514 120.300 0.274 0.000 2.338 735 Y HA 0.286 4.836 4.550 -0.000 0.000 0.328 735 Y C 0.384 176.446 175.900 0.270 0.000 0.965 735 Y CA -1.190 56.986 58.100 0.127 0.000 1.208 735 Y CB 1.447 39.963 38.460 0.092 0.000 1.132 735 Y HN 0.435 nan 8.280 nan 0.000 0.469 736 T N 3.907 118.672 114.554 0.353 0.000 2.831 736 T HA 0.007 4.357 4.350 -0.000 0.000 0.291 736 T C 0.188 175.011 174.700 0.206 0.000 0.981 736 T CA 0.409 62.675 62.100 0.276 0.000 1.174 736 T CB 0.014 68.965 68.868 0.140 0.000 0.929 736 T HN 0.737 nan 8.240 nan 0.000 0.532 737 D N 0.074 120.588 120.400 0.190 0.000 2.946 737 D HA -0.131 4.509 4.640 -0.000 0.000 0.202 737 D C 0.476 176.948 176.300 0.286 0.000 1.068 737 D CA 1.321 55.370 54.000 0.081 0.000 1.011 737 D CB -0.409 40.206 40.800 -0.308 0.000 1.105 737 D HN 0.610 nan 8.370 nan 0.000 0.425 738 E N 0.850 121.231 120.200 0.302 0.000 2.371 738 E HA 0.281 4.631 4.350 -0.000 0.000 0.257 738 E C 0.849 177.662 176.600 0.354 0.000 1.134 738 E CA 0.053 56.639 56.400 0.310 0.000 0.919 738 E CB 0.919 30.779 29.700 0.265 0.000 1.025 738 E HN 0.417 nan 8.360 nan 0.000 0.438 739 D N -0.859 119.748 120.400 0.345 0.000 2.577 739 D HA -0.005 4.635 4.640 -0.000 0.000 0.248 739 D C 1.099 177.631 176.300 0.386 0.000 1.181 739 D CA -0.189 54.033 54.000 0.370 0.000 1.083 739 D CB -0.404 40.634 40.800 0.396 0.000 1.198 739 D HN 0.448 nan 8.370 nan 0.000 0.626 740 H N -1.390 117.866 119.070 0.310 0.000 2.456 740 H HA 0.141 4.697 4.556 -0.000 0.000 0.296 740 H C 1.740 177.335 175.328 0.445 0.000 1.079 740 H CA 2.202 58.453 56.048 0.339 0.000 1.322 740 H CB -0.325 29.618 29.762 0.302 0.000 1.388 740 H HN 0.460 nan 8.280 nan 0.000 0.538 741 G N -0.407 108.561 108.800 0.279 0.000 3.042 741 G HA2 0.081 4.041 3.960 -0.000 0.000 0.212 741 G HA3 0.081 4.041 3.960 -0.000 0.000 0.212 741 G C 0.441 175.489 174.900 0.247 0.000 1.166 741 G CA 0.090 45.274 45.100 0.139 0.000 0.767 741 G HN 0.480 nan 8.290 nan 0.000 0.546 742 I N 0.301 121.066 120.570 0.325 0.000 2.850 742 I HA -0.356 3.814 4.170 -0.000 0.000 0.126 742 I C 1.786 178.020 176.117 0.195 0.000 0.898 742 I CA 0.198 61.640 61.300 0.237 0.000 2.782 742 I CB -0.840 37.266 38.000 0.176 0.000 0.675 742 I HN 0.247 nan 8.210 nan 0.000 0.351 743 A N 1.732 124.644 122.820 0.154 0.000 2.169 743 A HA 0.181 4.501 4.320 -0.000 0.000 0.210 743 A C 1.296 178.928 177.584 0.080 0.000 1.168 743 A CA 0.631 52.722 52.037 0.089 0.000 0.813 743 A CB 0.121 19.155 19.000 0.056 0.000 0.861 743 A HN 0.649 nan 8.150 nan 0.000 0.481 744 S N -0.476 115.289 115.700 0.108 0.000 2.579 744 S HA 0.176 4.646 4.470 -0.000 0.000 0.275 744 S C 1.147 175.808 174.600 0.101 0.000 1.345 744 S CA 0.378 58.636 58.200 0.098 0.000 1.031 744 S CB 1.130 64.397 63.200 0.110 0.000 0.892 744 S HN 0.350 nan 8.310 nan 0.000 0.529 745 S N 1.498 117.247 115.700 0.081 0.000 2.383 745 S HA -0.148 4.322 4.470 -0.000 0.000 0.229 745 S C 2.008 176.667 174.600 0.097 0.000 1.030 745 S CA 2.074 60.324 58.200 0.084 0.000 1.002 745 S CB -1.359 61.872 63.200 0.052 0.000 0.829 745 S HN 1.008 nan 8.310 nan 0.000 0.467 746 T N -0.690 113.912 114.554 0.079 0.000 2.942 746 T HA 0.272 4.622 4.350 -0.000 0.000 0.265 746 T C 1.892 176.642 174.700 0.083 0.000 1.062 746 T CA 0.975 63.119 62.100 0.073 0.000 1.139 746 T CB -0.550 68.350 68.868 0.053 0.000 0.883 746 T HN 0.382 nan 8.240 nan 0.000 0.468 747 A N 1.165 124.023 122.820 0.063 0.000 1.970 747 A HA 0.047 4.367 4.320 -0.000 0.000 0.216 747 A C 2.153 179.724 177.584 -0.022 0.000 1.170 747 A CA 1.537 53.549 52.037 -0.041 0.000 0.645 747 A CB -0.995 17.947 19.000 -0.098 0.000 0.816 747 A HN 0.686 nan 8.150 nan 0.000 0.447 748 H N 0.059 119.135 119.070 0.011 0.000 2.321 748 H HA -0.098 4.458 4.556 -0.000 0.000 0.300 748 H C 2.050 177.455 175.328 0.129 0.000 1.087 748 H CA 2.267 58.374 56.048 0.097 0.000 1.319 748 H CB -0.259 29.543 29.762 0.067 0.000 1.379 748 H HN 0.530 nan 8.280 nan 0.000 0.501 749 Q N -1.248 118.527 119.800 -0.043 0.000 2.135 749 Q HA -0.212 4.128 4.340 -0.000 0.000 0.204 749 Q C 2.042 178.023 176.000 -0.032 0.000 0.981 749 Q CA 1.735 57.475 55.803 -0.104 0.000 0.856 749 Q CB -0.143 28.584 28.738 -0.018 0.000 0.902 749 Q HN 0.633 nan 8.270 nan 0.000 0.425 750 H N 0.413 119.454 119.070 -0.048 0.000 2.284 750 H HA -0.023 4.533 4.556 -0.000 0.000 0.304 750 H C 1.882 177.208 175.328 -0.005 0.000 1.069 750 H CA 1.549 57.603 56.048 0.009 0.000 1.327 750 H CB -0.108 29.718 29.762 0.106 0.000 1.387 750 H HN 0.187 nan 8.280 nan 0.000 0.498 751 I N -0.251 120.313 120.570 -0.011 0.000 2.248 751 I HA -0.369 3.801 4.170 -0.000 0.000 0.248 751 I C 1.312 177.210 176.117 -0.365 0.000 1.107 751 I CA 1.542 62.753 61.300 -0.148 0.000 1.373 751 I CB -0.140 37.652 38.000 -0.347 0.000 1.055 751 I HN 0.349 nan 8.210 nan 0.000 0.418 752 Y N 0.847 120.943 120.300 -0.341 0.000 2.314 752 Y HA -0.179 4.371 4.550 -0.000 0.000 0.293 752 Y C 2.678 178.311 175.900 -0.445 0.000 1.129 752 Y CA 1.782 59.544 58.100 -0.562 0.000 1.201 752 Y CB -0.683 37.420 38.460 -0.595 0.000 0.999 752 Y HN 0.173 nan 8.280 nan 0.000 0.541 753 T N -1.549 112.882 114.554 -0.204 0.000 2.708 753 T HA -0.250 4.100 4.350 -0.000 0.000 0.266 753 T C 1.528 176.063 174.700 -0.275 0.000 1.037 753 T CA 1.958 63.902 62.100 -0.260 0.000 1.146 753 T CB -0.513 68.225 68.868 -0.216 0.000 0.865 753 T HN 0.376 nan 8.240 nan 0.000 0.435 754 H N 1.278 120.175 119.070 -0.289 0.000 2.293 754 H HA 0.100 4.655 4.556 -0.000 0.000 0.300 754 H C 2.236 177.504 175.328 -0.100 0.000 1.082 754 H CA 1.587 57.542 56.048 -0.154 0.000 1.308 754 H CB -0.445 29.214 29.762 -0.171 0.000 1.375 754 H HN 0.227 nan 8.280 nan 0.000 0.495 755 M N -0.592 118.895 119.600 -0.189 0.000 2.144 755 M HA -0.215 4.265 4.480 -0.000 0.000 0.260 755 M C 2.406 178.750 176.300 0.074 0.000 1.067 755 M CA 1.765 56.962 55.300 -0.171 0.000 1.095 755 M CB -0.224 32.044 32.600 -0.554 0.000 1.365 755 M HN 0.214 nan 8.290 nan 0.000 0.406 756 S N -0.717 115.018 115.700 0.059 0.000 2.356 756 S HA -0.140 4.330 4.470 -0.000 0.000 0.223 756 S C 1.647 176.279 174.600 0.054 0.000 1.032 756 S CA 0.958 59.282 58.200 0.206 0.000 1.005 756 S CB -0.588 62.724 63.200 0.186 0.000 0.867 756 S HN 0.473 nan 8.310 nan 0.000 0.449 757 H N 0.079 119.189 119.070 0.067 0.000 2.319 757 H HA -0.093 4.463 4.556 -0.000 0.000 0.297 757 H C 1.992 177.336 175.328 0.027 0.000 1.097 757 H CA 1.464 57.526 56.048 0.023 0.000 1.285 757 H CB -0.813 28.930 29.762 -0.030 0.000 1.368 757 H HN 0.430 nan 8.280 nan 0.000 0.495 758 F N 1.106 121.020 119.950 -0.060 0.000 2.171 758 F HA -0.154 4.373 4.527 -0.000 0.000 0.300 758 F C 2.207 177.945 175.800 -0.104 0.000 1.090 758 F CA 0.671 58.609 58.000 -0.103 0.000 1.293 758 F CB -0.216 38.686 39.000 -0.162 0.000 1.013 758 F HN -0.036 nan 8.300 nan 0.000 0.486 759 I N 0.466 120.961 120.570 -0.126 0.000 2.206 759 I HA -0.212 3.958 4.170 -0.000 0.000 0.239 759 I C 2.291 178.168 176.117 -0.400 0.000 1.078 759 I CA 1.204 62.267 61.300 -0.395 0.000 1.367 759 I CB -1.327 36.531 38.000 -0.236 0.000 1.078 759 I HN 0.096 nan 8.210 nan 0.000 0.413 760 K N 0.744 121.065 120.400 -0.131 0.000 2.089 760 K HA -0.285 4.035 4.320 -0.000 0.000 0.210 760 K C 2.001 178.588 176.600 -0.022 0.000 1.048 760 K CA 2.251 58.524 56.287 -0.024 0.000 0.926 760 K CB -0.291 32.253 32.500 0.073 0.000 0.714 760 K HN 0.519 nan 8.250 nan 0.000 0.448 761 Q N 0.588 120.356 119.800 -0.053 0.000 2.123 761 Q HA -0.121 4.218 4.340 -0.000 0.000 0.199 761 Q C 2.220 178.167 176.000 -0.088 0.000 0.966 761 Q CA 1.655 57.434 55.803 -0.039 0.000 0.845 761 Q CB -1.037 27.694 28.738 -0.011 0.000 0.907 761 Q HN 0.297 nan 8.270 nan 0.000 0.439 762 c N -0.211 118.226 118.600 -0.271 0.000 2.403 762 c HA -0.072 4.498 4.570 -0.000 0.000 0.282 762 c C 1.028 175.204 174.090 0.143 0.000 1.297 762 c CA 0.647 56.824 56.329 -0.254 0.000 1.785 762 c CB -1.184 40.960 42.510 -0.611 0.000 1.963 762 c HN 0.639 nan 8.230 nan 0.000 0.507 763 F N 0.610 120.519 119.950 -0.068 0.000 2.668 763 F HA 0.295 4.822 4.527 -0.000 0.000 0.301 763 F C 1.572 177.359 175.800 -0.021 0.000 1.106 763 F CA 0.069 58.048 58.000 -0.034 0.000 1.289 763 F CB -1.173 37.813 39.000 -0.024 0.000 1.006 763 F HN 0.160 nan 8.300 nan 0.000 0.535 764 S N 0.583 116.375 115.700 0.153 0.000 3.380 764 S HA -0.216 4.254 4.470 -0.000 0.000 0.300 764 S C 0.275 174.925 174.600 0.083 0.000 1.255 764 S CA 0.301 58.553 58.200 0.086 0.000 0.963 764 S CB -1.725 61.509 63.200 0.057 0.000 1.106 764 S HN 0.261 nan 8.310 nan 0.000 0.629 765 L N 1.703 122.991 121.223 0.110 0.000 2.278 765 L HA 0.337 4.677 4.340 -0.000 0.000 0.287 765 L C -1.519 175.398 176.870 0.078 0.000 1.072 765 L CA -1.967 52.930 54.840 0.094 0.000 0.819 765 L CB 0.283 42.412 42.059 0.116 0.000 1.176 765 L HN -0.009 nan 8.230 nan 0.000 0.435 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.139 63.100 0.066 0.000 0.800 766 P CB 0.000 31.732 31.700 0.054 0.000 0.726