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 2z87_1_B DATA FIRST_RESID 59 DATA SEQUENCE AVIDIDAATK IMCSNAKAIS LNEVEKNEII SKYREITAKK SERAELKEVE DATA SEQUENCE PIPLDWPSDL TLPPLPESTN DYVWAGKRKX XXXXXXXQLI IDGLSIVIPT DATA SEQUENCE YNRAKILAIT LACLCNQKTI YDYEVIVADD GSKENIEEIV REFESLLNIK DATA SEQUENCE YVRQKDYGYQ LCAVRNLGLR AAKYNYVAIL DCDMAPNPLW VQSYMELLAV DATA SEQUENCE DDNVALIGPR KYIDTSKHTY LDFLSQKSLI NEIPEIITNX XXXXXXXQNK DATA SEQUENCE SVDWRIEHFK NTDNLRLCNT PFRFFSGGNV AFAKKWLFRA GWFDEEFTHW DATA SEQUENCE GGEDNEFGYR LYREGCYFRS VEGAMAYHQE PPGKXXXXXX XXXXXXXXXL DATA SEQUENCE LQQKVPYFYR KKEKIESATL KRVPLVSIYI PAYNCSKYIV RCVESALNQT DATA SEQUENCE ITDLEVCICD DGSTDDTLRI LQEHYANHPR VRFISQKNKG IGSASNTAVR DATA SEQUENCE LCRGFYIGQL DSDDFLEPDA VELCLDEFRK DLSLACVYTT NRNIDREGNL DATA SEQUENCE ISNGYNWPIY SREKLTSAMI CHHFRMFTAR AWNLTEGFNE SISNAVDYDM DATA SEQUENCE YLKLSEVGPF KHINKICYNR VLHXXNTSIK KLDIQKENHF KVVNESLSRL DATA SEQUENCE GIKKYKYSPL TNLNECRKYT WEKI 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 59 A HA 0.000 nan 4.320 nan 0.000 0.244 59 A C 0.000 177.569 177.584 -0.025 0.000 1.274 59 A CA 0.000 52.024 52.037 -0.022 0.000 0.836 59 A CB 0.000 18.989 19.000 -0.019 0.000 0.831 60 V N 2.275 122.175 119.914 -0.023 0.000 2.715 60 V HA 0.529 4.860 4.120 0.351 0.000 0.299 60 V C 0.212 176.287 176.094 -0.032 0.000 1.054 60 V CA 0.469 62.754 62.300 -0.025 0.000 1.077 60 V CB 1.153 32.964 31.823 -0.020 0.000 0.972 60 V HN 0.606 nan 8.190 nan 0.000 0.484 61 I N 4.038 124.585 120.570 -0.038 0.000 2.622 61 I HA 0.249 4.630 4.170 0.351 0.000 0.294 61 I C -1.508 174.572 176.117 -0.061 0.000 1.772 61 I CA -0.206 61.064 61.300 -0.050 0.000 1.042 61 I CB 1.747 39.710 38.000 -0.062 0.000 1.590 61 I HN 0.995 nan 8.210 nan 0.000 0.499 62 D N 6.544 126.906 120.400 -0.063 0.000 3.557 62 D HA 0.369 5.220 4.640 0.351 0.000 0.331 62 D C 0.370 176.631 176.300 -0.065 0.000 1.442 62 D CA -0.223 53.736 54.000 -0.068 0.000 0.971 62 D CB 1.227 41.999 40.800 -0.046 0.000 1.423 62 D HN 0.447 nan 8.370 nan 0.000 0.604 63 I N -1.269 119.276 120.570 -0.042 0.000 5.395 63 I HA 0.392 4.773 4.170 0.351 0.000 0.168 63 I C 0.091 176.254 176.117 0.078 0.000 1.421 63 I CA -0.402 60.905 61.300 0.012 0.000 1.273 63 I CB -0.078 37.889 38.000 -0.054 0.000 1.691 63 I HN 0.459 nan 8.210 nan 0.000 0.777 64 D N 0.082 120.556 120.400 0.124 0.000 2.450 64 D HA 0.478 5.329 4.640 0.351 0.000 0.238 64 D C 0.346 176.703 176.300 0.095 0.000 1.020 64 D CA -0.356 53.727 54.000 0.139 0.000 1.010 64 D CB 2.061 42.991 40.800 0.215 0.000 1.342 64 D HN 0.595 nan 8.370 nan 0.000 0.530 65 A N 1.178 124.057 122.820 0.099 0.000 2.213 65 A HA 0.137 4.668 4.320 0.351 0.000 0.192 65 A C 2.223 179.800 177.584 -0.012 0.000 1.296 65 A CA 2.639 54.716 52.037 0.067 0.000 0.703 65 A CB -1.594 17.494 19.000 0.146 0.000 0.941 65 A HN 0.983 nan 8.150 nan 0.000 0.517 66 A N -1.774 120.978 122.820 -0.114 0.000 1.913 66 A HA -0.398 4.133 4.320 0.351 0.000 0.236 66 A C 2.435 179.938 177.584 -0.134 0.000 1.760 66 A CA 4.109 55.951 52.037 -0.326 0.000 0.740 66 A CB -1.972 16.810 19.000 -0.363 0.000 0.847 66 A HN 1.030 nan 8.150 nan 0.000 0.508 67 T N -1.609 112.939 114.554 -0.011 0.000 2.635 67 T HA -0.253 4.308 4.350 0.351 0.000 0.267 67 T C 1.938 176.634 174.700 -0.007 0.000 1.040 67 T CA 2.580 64.705 62.100 0.042 0.000 1.156 67 T CB -0.329 68.653 68.868 0.190 0.000 0.863 67 T HN 0.539 nan 8.240 nan 0.000 0.430 68 K N 0.673 121.064 120.400 -0.015 0.000 2.049 68 K HA -0.138 4.393 4.320 0.351 0.000 0.219 68 K C 2.138 178.716 176.600 -0.036 0.000 1.056 68 K CA 2.228 58.497 56.287 -0.030 0.000 0.946 68 K CB -0.896 31.593 32.500 -0.019 0.000 0.723 68 K HN 0.578 nan 8.250 nan 0.000 0.453 69 I N 0.075 120.615 120.570 -0.050 0.000 2.118 69 I HA -0.366 4.014 4.170 0.351 0.000 0.241 69 I C 2.488 178.577 176.117 -0.047 0.000 1.070 69 I CA 1.857 63.124 61.300 -0.055 0.000 1.327 69 I CB -0.331 37.616 38.000 -0.088 0.000 1.034 69 I HN 0.280 nan 8.210 nan 0.000 0.405 70 M N -0.450 119.119 119.600 -0.051 0.000 2.108 70 M HA -0.269 4.422 4.480 0.351 0.000 0.261 70 M C 2.411 178.700 176.300 -0.017 0.000 1.066 70 M CA 1.568 56.849 55.300 -0.032 0.000 1.107 70 M CB -0.719 31.867 32.600 -0.023 0.000 1.356 70 M HN 0.384 nan 8.290 nan 0.000 0.406 71 C N -0.234 119.056 119.300 -0.016 0.000 2.485 71 C HA -0.037 4.634 4.460 0.351 0.000 0.283 71 C C 2.991 177.972 174.990 -0.016 0.000 1.478 71 C CA 1.044 60.054 59.018 -0.014 0.000 1.741 71 C CB -1.205 26.521 27.740 -0.022 0.000 1.675 71 C HN 0.609 nan 8.230 nan 0.000 0.573 72 S N 0.981 116.670 115.700 -0.019 0.000 2.541 72 S HA -0.014 4.667 4.470 0.351 0.000 0.219 72 S C 1.682 176.274 174.600 -0.015 0.000 1.025 72 S CA 0.495 58.685 58.200 -0.017 0.000 0.917 72 S CB -0.325 62.863 63.200 -0.019 0.000 0.859 72 S HN 0.588 nan 8.310 nan 0.000 0.584 73 N N 2.546 121.235 118.700 -0.017 0.000 2.396 73 N HA -0.112 4.839 4.740 0.351 0.000 0.191 73 N C 1.488 176.991 175.510 -0.011 0.000 1.015 73 N CA 1.319 54.361 53.050 -0.015 0.000 0.893 73 N CB -0.626 37.850 38.487 -0.018 0.000 0.956 73 N HN 0.542 nan 8.380 nan 0.000 0.445 74 A N 1.206 124.020 122.820 -0.010 0.000 1.878 74 A HA -0.007 4.524 4.320 0.351 0.000 0.213 74 A C 1.095 178.676 177.584 -0.006 0.000 1.192 74 A CA 0.344 52.378 52.037 -0.006 0.000 0.619 74 A CB -0.111 18.887 19.000 -0.003 0.000 0.837 74 A HN 0.134 nan 8.150 nan 0.000 0.446 75 K N -0.525 119.871 120.400 -0.007 0.000 2.508 75 K HA 0.158 4.689 4.320 0.351 0.000 0.273 75 K C 0.730 177.326 176.600 -0.006 0.000 0.964 75 K CA 0.245 56.528 56.287 -0.006 0.000 0.948 75 K CB 0.208 32.703 32.500 -0.008 0.000 0.917 75 K HN 0.295 nan 8.250 nan 0.000 0.512 76 A N 2.280 125.097 122.820 -0.005 0.000 2.345 76 A HA 0.124 4.655 4.320 0.351 0.000 0.225 76 A C 0.233 177.814 177.584 -0.005 0.000 1.243 76 A CA 0.093 52.127 52.037 -0.004 0.000 0.875 76 A CB 0.177 19.175 19.000 -0.003 0.000 0.929 76 A HN 0.397 nan 8.150 nan 0.000 0.502 77 I N 1.413 121.980 120.570 -0.005 0.000 2.354 77 I HA 0.186 4.567 4.170 0.351 0.000 0.286 77 I C -0.172 175.941 176.117 -0.006 0.000 1.007 77 I CA -0.242 61.054 61.300 -0.005 0.000 1.167 77 I CB 1.003 39.000 38.000 -0.006 0.000 1.320 77 I HN -0.028 nan 8.210 nan 0.000 0.458 78 S N 7.373 123.069 115.700 -0.006 0.000 2.589 78 S HA 0.091 4.772 4.470 0.351 0.000 0.306 78 S C 0.237 174.833 174.600 -0.006 0.000 1.221 78 S CA -0.168 58.029 58.200 -0.006 0.000 1.159 78 S CB -0.206 62.991 63.200 -0.005 0.000 0.990 78 S HN 0.439 nan 8.310 nan 0.000 0.514 79 L N 4.844 126.063 121.223 -0.006 0.000 2.416 79 L HA 0.152 4.703 4.340 0.351 0.000 0.272 79 L C 0.508 177.375 176.870 -0.005 0.000 1.161 79 L CA -0.846 53.990 54.840 -0.006 0.000 0.845 79 L CB 0.396 42.451 42.059 -0.008 0.000 1.119 79 L HN 0.621 nan 8.230 nan 0.000 0.464 80 N N 3.943 122.641 118.700 -0.005 0.000 2.418 80 N HA -0.167 4.783 4.740 0.351 0.000 0.277 80 N C 0.527 176.035 175.510 -0.002 0.000 1.317 80 N CA 0.261 53.309 53.050 -0.003 0.000 0.922 80 N CB 0.702 39.187 38.487 -0.003 0.000 1.194 80 N HN 0.815 nan 8.380 nan 0.000 0.485 81 E N 2.061 122.260 120.200 -0.002 0.000 2.324 81 E HA -0.268 4.293 4.350 0.351 0.000 0.205 81 E C 0.942 177.543 176.600 0.001 0.000 1.031 81 E CA 1.635 58.035 56.400 -0.000 0.000 0.836 81 E CB 0.204 29.904 29.700 0.000 0.000 0.742 81 E HN 0.613 nan 8.360 nan 0.000 0.491 82 V N 0.116 120.030 119.914 0.001 0.000 2.239 82 V HA -0.237 4.094 4.120 0.351 0.000 0.242 82 V C 2.368 178.463 176.094 0.002 0.000 1.038 82 V CA 2.132 64.434 62.300 0.002 0.000 1.002 82 V CB -1.036 30.788 31.823 0.001 0.000 0.641 82 V HN 0.303 nan 8.190 nan 0.000 0.449 83 E N 0.714 120.914 120.200 0.000 0.000 2.136 83 E HA -0.355 4.206 4.350 0.351 0.000 0.202 83 E C 2.198 178.799 176.600 0.001 0.000 1.019 83 E CA 2.324 58.724 56.400 -0.001 0.000 0.819 83 E CB -0.126 29.572 29.700 -0.004 0.000 0.739 83 E HN 0.633 nan 8.360 nan 0.000 0.458 84 K N 0.121 120.521 120.400 0.001 0.000 1.965 84 K HA -0.186 4.345 4.320 0.351 0.000 0.214 84 K C 2.054 178.659 176.600 0.008 0.000 1.042 84 K CA 1.434 57.721 56.287 0.001 0.000 0.950 84 K CB -0.173 32.327 32.500 -0.001 0.000 0.733 84 K HN 0.060 nan 8.250 nan 0.000 0.441 85 N N 1.189 119.895 118.700 0.010 0.000 2.184 85 N HA -0.296 4.655 4.740 0.351 0.000 0.188 85 N C 1.567 177.091 175.510 0.023 0.000 0.923 85 N CA 2.552 55.611 53.050 0.016 0.000 0.897 85 N CB -0.690 37.804 38.487 0.012 0.000 1.060 85 N HN 0.418 nan 8.380 nan 0.000 0.763 86 E N 0.591 120.802 120.200 0.019 0.000 2.086 86 E HA -0.199 4.362 4.350 0.351 0.000 0.200 86 E C 2.241 178.861 176.600 0.033 0.000 1.012 86 E CA 1.139 57.553 56.400 0.022 0.000 0.812 86 E CB -0.371 29.337 29.700 0.015 0.000 0.743 86 E HN 0.466 nan 8.360 nan 0.000 0.453 87 I N 1.127 121.715 120.570 0.029 0.000 2.194 87 I HA -0.303 4.078 4.170 0.351 0.000 0.246 87 I C 2.466 178.623 176.117 0.067 0.000 1.093 87 I CA 1.262 62.585 61.300 0.039 0.000 1.355 87 I CB -0.348 37.663 38.000 0.019 0.000 1.046 87 I HN 0.134 nan 8.210 nan 0.000 0.413 88 I N -0.238 120.369 120.570 0.061 0.000 2.286 88 I HA -0.281 4.100 4.170 0.351 0.000 0.248 88 I C 2.727 178.917 176.117 0.121 0.000 1.115 88 I CA 1.387 62.743 61.300 0.095 0.000 1.392 88 I CB -0.418 37.619 38.000 0.062 0.000 1.065 88 I HN 0.218 nan 8.210 nan 0.000 0.418 89 S N 0.948 116.694 115.700 0.076 0.000 2.387 89 S HA -0.203 4.477 4.470 0.351 0.000 0.226 89 S C 2.054 176.690 174.600 0.061 0.000 1.026 89 S CA 1.438 59.672 58.200 0.057 0.000 0.972 89 S CB -0.077 63.144 63.200 0.034 0.000 0.814 89 S HN 0.253 nan 8.310 nan 0.000 0.477 90 K N 0.875 121.320 120.400 0.075 0.000 1.987 90 K HA -0.205 4.325 4.320 0.351 0.000 0.216 90 K C 1.869 178.532 176.600 0.105 0.000 1.051 90 K CA 2.307 58.639 56.287 0.076 0.000 0.942 90 K CB -1.366 31.184 32.500 0.083 0.000 0.722 90 K HN 0.482 nan 8.250 nan 0.000 0.444 91 Y N 1.049 121.358 120.300 0.013 0.000 2.040 91 Y HA -0.301 4.460 4.550 0.351 0.000 0.275 91 Y C 2.224 178.132 175.900 0.013 0.000 1.171 91 Y CA 2.433 60.543 58.100 0.016 0.000 1.123 91 Y CB -0.573 37.898 38.460 0.018 0.000 0.963 91 Y HN 0.077 nan 8.280 nan 0.000 0.493 92 R N 0.542 121.030 120.500 -0.021 0.000 2.122 92 R HA -0.239 4.312 4.340 0.351 0.000 0.236 92 R C 2.319 178.540 176.300 -0.131 0.000 1.129 92 R CA 2.211 58.241 56.100 -0.117 0.000 0.925 92 R CB -0.977 29.320 30.300 -0.005 0.000 0.850 92 R HN 0.712 nan 8.270 nan 0.000 0.431 93 E N -0.125 120.039 120.200 -0.061 0.000 2.204 93 E HA -0.135 4.426 4.350 0.351 0.000 0.194 93 E C 1.800 178.358 176.600 -0.069 0.000 0.989 93 E CA 1.316 57.684 56.400 -0.053 0.000 0.824 93 E CB -0.550 29.136 29.700 -0.023 0.000 0.756 93 E HN 0.460 nan 8.360 nan 0.000 0.477 94 I N 0.986 121.512 120.570 -0.075 0.000 3.111 94 I HA -0.070 4.310 4.170 0.351 0.000 0.272 94 I C 0.941 176.982 176.117 -0.128 0.000 1.268 94 I CA 1.530 62.791 61.300 -0.065 0.000 1.467 94 I CB 0.099 38.097 38.000 -0.004 0.000 1.087 94 I HN 0.439 nan 8.210 nan 0.000 0.467 95 T N -4.061 110.351 114.554 -0.238 0.000 3.087 95 T HA 0.322 4.883 4.350 0.351 0.000 0.283 95 T C 1.305 175.880 174.700 -0.207 0.000 0.956 95 T CA 0.311 62.240 62.100 -0.285 0.000 0.894 95 T CB 0.265 68.762 68.868 -0.617 0.000 1.160 95 T HN 0.096 nan 8.240 nan 0.000 0.532 96 A N 1.251 123.977 122.820 -0.157 0.000 2.255 96 A HA 0.255 4.786 4.320 0.351 0.000 0.206 96 A C 0.999 178.544 177.584 -0.064 0.000 1.193 96 A CA 0.162 52.138 52.037 -0.101 0.000 0.794 96 A CB -0.461 18.494 19.000 -0.076 0.000 0.794 96 A HN 0.547 nan 8.150 nan 0.000 0.481 97 K N 0.814 121.178 120.400 -0.060 0.000 2.118 97 K HA 0.405 4.936 4.320 0.351 0.000 0.267 97 K C -0.702 175.883 176.600 -0.025 0.000 0.991 97 K CA -0.400 55.867 56.287 -0.034 0.000 0.916 97 K CB 0.514 33.000 32.500 -0.023 0.000 1.041 97 K HN 0.203 nan 8.250 nan 0.000 0.455 98 K N 1.358 121.750 120.400 -0.014 0.000 2.318 98 K HA 0.248 4.779 4.320 0.351 0.000 0.249 98 K C -0.928 175.674 176.600 0.003 0.000 0.942 98 K CA -0.859 55.424 56.287 -0.006 0.000 0.808 98 K CB 2.035 34.531 32.500 -0.007 0.000 1.189 98 K HN 0.493 nan 8.250 nan 0.000 0.428 99 S N 2.607 118.313 115.700 0.010 0.000 2.515 99 S HA -0.043 4.638 4.470 0.351 0.000 0.285 99 S C -0.026 174.582 174.600 0.013 0.000 1.265 99 S CA -0.254 57.957 58.200 0.018 0.000 1.079 99 S CB -0.074 63.145 63.200 0.031 0.000 0.877 99 S HN 0.525 nan 8.310 nan 0.000 0.493 100 E N 4.103 124.311 120.200 0.013 0.000 2.373 100 E HA 0.180 4.740 4.350 0.351 0.000 0.267 100 E C -0.309 176.296 176.600 0.008 0.000 1.032 100 E CA -0.735 55.670 56.400 0.008 0.000 0.889 100 E CB 0.623 30.328 29.700 0.009 0.000 0.984 100 E HN 0.445 nan 8.360 nan 0.000 0.425 101 R N 1.214 121.714 120.500 -0.000 0.000 2.817 101 R HA 0.188 4.739 4.340 0.351 0.000 0.264 101 R C -0.089 176.210 176.300 -0.002 0.000 1.009 101 R CA 0.320 56.415 56.100 -0.008 0.000 1.133 101 R CB 0.192 30.482 30.300 -0.017 0.000 1.013 101 R HN 0.681 nan 8.270 nan 0.000 0.453 102 A N 1.530 124.345 122.820 -0.009 0.000 2.312 102 A HA 0.215 4.746 4.320 0.351 0.000 0.328 102 A C -0.333 177.248 177.584 -0.005 0.000 1.158 102 A CA -0.724 51.315 52.037 0.003 0.000 0.821 102 A CB 0.518 19.525 19.000 0.011 0.000 1.170 102 A HN 0.743 nan 8.150 nan 0.000 0.490 103 E N 0.552 120.758 120.200 0.011 0.000 2.760 103 E HA -0.043 4.518 4.350 0.351 0.000 0.268 103 E C -0.788 175.810 176.600 -0.003 0.000 0.935 103 E CA 0.688 57.095 56.400 0.012 0.000 0.960 103 E CB 0.056 29.776 29.700 0.034 0.000 0.931 103 E HN 0.462 nan 8.360 nan 0.000 0.483 104 L N 3.820 125.037 121.223 -0.010 0.000 2.261 104 L HA 0.327 4.878 4.340 0.351 0.000 0.289 104 L C 0.367 177.223 176.870 -0.023 0.000 1.059 104 L CA -0.185 54.638 54.840 -0.028 0.000 0.816 104 L CB 0.197 42.239 42.059 -0.029 0.000 1.191 104 L HN 0.336 nan 8.230 nan 0.000 0.431 105 K N 2.495 122.870 120.400 -0.042 0.000 2.208 105 K HA 0.448 4.979 4.320 0.351 0.000 0.247 105 K C -0.978 175.570 176.600 -0.088 0.000 0.953 105 K CA -0.738 55.525 56.287 -0.040 0.000 0.837 105 K CB 2.095 34.584 32.500 -0.018 0.000 1.131 105 K HN 0.432 nan 8.250 nan 0.000 0.431 106 E N 2.234 122.393 120.200 -0.068 0.000 2.145 106 E HA 0.376 4.937 4.350 0.351 0.000 0.270 106 E C -1.542 174.999 176.600 -0.100 0.000 0.906 106 E CA -0.654 55.695 56.400 -0.084 0.000 0.761 106 E CB 1.410 31.086 29.700 -0.040 0.000 1.116 106 E HN 0.361 nan 8.360 nan 0.000 0.408 107 V N 2.599 122.411 119.914 -0.170 0.000 3.165 107 V HA 0.458 4.789 4.120 0.351 0.000 0.309 107 V C -0.650 175.389 176.094 -0.092 0.000 1.267 107 V CA -1.128 61.072 62.300 -0.168 0.000 1.067 107 V CB 2.171 33.695 31.823 -0.499 0.000 1.082 107 V HN 0.628 nan 8.190 nan 0.000 0.451 108 E N 2.421 122.628 120.200 0.013 0.000 2.063 108 E HA 0.298 4.858 4.350 0.351 0.000 0.265 108 E C -1.648 175.024 176.600 0.120 0.000 0.919 108 E CA -1.635 54.806 56.400 0.069 0.000 0.756 108 E CB 1.580 31.353 29.700 0.121 0.000 1.120 108 E HN 0.508 nan 8.360 nan 0.000 0.414 109 P HA -0.252 nan 4.420 nan 0.000 0.225 109 P C 0.273 177.656 177.300 0.139 0.000 1.154 109 P CA 1.558 64.695 63.100 0.063 0.000 0.933 109 P CB 0.261 31.963 31.700 0.002 0.000 0.790 110 I N 0.042 120.674 120.570 0.104 0.000 2.377 110 I HA 0.286 4.666 4.170 0.351 0.000 0.293 110 I C -2.341 173.904 176.117 0.213 0.000 0.987 110 I CA -3.044 58.308 61.300 0.086 0.000 1.185 110 I CB 1.461 39.442 38.000 -0.031 0.000 1.341 110 I HN -0.271 nan 8.210 nan 0.000 0.455 111 P HA -0.098 nan 4.420 nan 0.000 0.258 111 P C 0.541 178.057 177.300 0.361 0.000 1.172 111 P CA -0.126 63.205 63.100 0.385 0.000 0.762 111 P CB 0.459 32.470 31.700 0.519 0.000 0.764 112 L N 4.107 125.501 121.223 0.285 0.000 2.642 112 L HA -0.131 4.420 4.340 0.351 0.000 0.236 112 L C 0.971 177.986 176.870 0.242 0.000 1.169 112 L CA 1.809 56.786 54.840 0.227 0.000 0.851 112 L CB -1.092 41.070 42.059 0.171 0.000 0.968 112 L HN 0.311 nan 8.230 nan 0.000 0.453 113 D N -3.258 117.334 120.400 0.320 0.000 2.360 113 D HA -0.144 4.707 4.640 0.351 0.000 0.210 113 D C 0.823 177.327 176.300 0.340 0.000 1.047 113 D CA -0.373 53.824 54.000 0.328 0.000 0.854 113 D CB -0.496 40.524 40.800 0.366 0.000 0.936 113 D HN 0.252 nan 8.370 nan 0.000 0.514 114 W N 2.753 124.162 121.300 0.182 0.000 2.417 114 W HA 0.169 5.040 4.660 0.351 0.000 0.332 114 W C -2.298 174.130 176.519 -0.152 0.000 1.413 114 W CA -1.487 55.845 57.345 -0.022 0.000 1.299 114 W CB 0.307 29.756 29.460 -0.020 0.000 1.304 114 W HN -0.041 nan 8.180 nan 0.000 0.565 115 P HA -0.034 nan 4.420 nan 0.000 0.264 115 P C 0.645 177.820 177.300 -0.207 0.000 1.193 115 P CA 0.583 63.372 63.100 -0.518 0.000 0.763 115 P CB 0.830 31.969 31.700 -0.935 0.000 0.810 116 S N 1.607 117.272 115.700 -0.059 0.000 2.402 116 S HA -0.132 4.549 4.470 0.351 0.000 0.229 116 S C 1.086 175.665 174.600 -0.034 0.000 1.021 116 S CA 1.485 59.693 58.200 0.012 0.000 0.974 116 S CB -0.500 62.713 63.200 0.021 0.000 0.800 116 S HN 0.677 nan 8.310 nan 0.000 0.484 117 D N 0.706 121.039 120.400 -0.112 0.000 2.434 117 D HA 0.111 4.961 4.640 0.351 0.000 0.232 117 D C 0.026 176.166 176.300 -0.267 0.000 1.166 117 D CA -0.033 53.889 54.000 -0.129 0.000 0.830 117 D CB -0.293 40.465 40.800 -0.069 0.000 0.960 117 D HN 0.273 nan 8.370 nan 0.000 0.497 118 L N 0.350 121.400 121.223 -0.288 0.000 2.372 118 L HA 0.399 4.950 4.340 0.351 0.000 0.273 118 L C -1.301 175.601 176.870 0.053 0.000 0.989 118 L CA -0.202 54.439 54.840 -0.332 0.000 0.841 118 L CB 1.849 43.416 42.059 -0.819 0.000 1.225 118 L HN -0.186 nan 8.230 nan 0.000 0.414 119 T N 5.305 119.870 114.554 0.018 0.000 2.864 119 T HA 0.347 4.908 4.350 0.351 0.000 0.299 119 T C -0.323 174.403 174.700 0.044 0.000 1.011 119 T CA -0.440 61.691 62.100 0.052 0.000 0.975 119 T CB 1.310 70.182 68.868 0.006 0.000 0.962 119 T HN 0.255 nan 8.240 nan 0.000 0.448 120 L N 5.709 126.966 121.223 0.056 0.000 2.513 120 L HA 0.263 4.814 4.340 0.351 0.000 0.272 120 L C -1.902 174.984 176.870 0.026 0.000 1.187 120 L CA -1.543 53.323 54.840 0.042 0.000 0.895 120 L CB -0.285 41.769 42.059 -0.009 0.000 1.147 120 L HN 0.403 nan 8.230 nan 0.000 0.483 121 P HA 0.005 nan 4.420 nan 0.000 0.258 121 P C -2.356 175.019 177.300 0.126 0.000 1.172 121 P CA -0.559 62.588 63.100 0.078 0.000 0.762 121 P CB -0.207 31.539 31.700 0.076 0.000 0.764 122 P HA -0.006 nan 4.420 nan 0.000 0.264 122 P C 0.116 177.497 177.300 0.134 0.000 1.183 122 P CA 0.302 63.459 63.100 0.096 0.000 0.763 122 P CB 0.353 32.100 31.700 0.078 0.000 0.807 123 L N 5.056 126.244 121.223 -0.058 0.000 2.473 123 L HA 0.195 4.746 4.340 0.351 0.000 0.265 123 L C -1.485 174.997 176.870 -0.646 0.000 1.243 123 L CA -1.653 52.971 54.840 -0.360 0.000 0.822 123 L CB -0.483 41.410 42.059 -0.277 0.000 1.101 123 L HN 0.309 nan 8.230 nan 0.000 0.507 124 P HA 0.045 nan 4.420 nan 0.000 0.273 124 P C -0.432 176.695 177.300 -0.287 0.000 1.250 124 P CA -0.212 62.433 63.100 -0.759 0.000 0.793 124 P CB 0.690 31.907 31.700 -0.806 0.000 1.011 125 E N -0.721 119.412 120.200 -0.112 0.000 2.442 125 E HA 0.052 4.613 4.350 0.351 0.000 0.195 125 E C 0.383 176.976 176.600 -0.011 0.000 1.030 125 E CA 0.308 56.679 56.400 -0.049 0.000 0.869 125 E CB 0.256 29.946 29.700 -0.016 0.000 0.857 125 E HN 0.528 nan 8.360 nan 0.000 0.505 126 S N -1.802 113.901 115.700 0.006 0.000 2.567 126 S HA 0.064 4.745 4.470 0.351 0.000 0.270 126 S C 0.849 175.510 174.600 0.102 0.000 1.152 126 S CA -0.249 57.992 58.200 0.069 0.000 0.835 126 S CB 1.096 64.357 63.200 0.102 0.000 1.115 126 S HN 0.042 nan 8.310 nan 0.000 0.459 127 T N -0.601 114.040 114.554 0.145 0.000 2.822 127 T HA -0.164 4.397 4.350 0.351 0.000 0.270 127 T C 0.869 175.688 174.700 0.198 0.000 1.064 127 T CA 2.047 64.240 62.100 0.154 0.000 1.131 127 T CB -0.807 68.200 68.868 0.232 0.000 0.858 127 T HN 0.692 nan 8.240 nan 0.000 0.483 128 N N 1.423 120.298 118.700 0.291 0.000 2.453 128 N HA 0.114 5.065 4.740 0.351 0.000 0.270 128 N C -0.784 175.048 175.510 0.538 0.000 1.195 128 N CA -0.353 52.954 53.050 0.428 0.000 0.902 128 N CB -0.022 38.732 38.487 0.444 0.000 1.186 128 N HN 0.232 nan 8.380 nan 0.000 0.510 129 D N 0.514 121.176 120.400 0.437 0.000 2.508 129 D HA -0.069 4.782 4.640 0.351 0.000 0.224 129 D C 0.740 177.113 176.300 0.122 0.000 1.171 129 D CA -0.502 53.596 54.000 0.163 0.000 1.006 129 D CB -0.205 40.663 40.800 0.115 0.000 1.073 129 D HN 0.446 nan 8.370 nan 0.000 0.513 130 Y N 0.921 121.314 120.300 0.155 0.000 2.574 130 Y HA -0.017 4.745 4.550 0.353 0.000 0.294 130 Y C 1.644 177.471 175.900 -0.122 0.000 1.142 130 Y CA -0.063 57.928 58.100 -0.181 0.000 1.314 130 Y CB -0.574 37.837 38.460 -0.081 0.000 0.991 130 Y HN 0.124 nan 8.280 nan 0.000 0.555 131 V N -0.273 119.511 119.914 -0.216 0.000 2.407 131 V HA -0.190 4.141 4.120 0.351 0.000 0.245 131 V C 2.263 178.341 176.094 -0.028 0.000 1.041 131 V CA 1.558 63.805 62.300 -0.089 0.000 1.040 131 V CB -0.670 31.078 31.823 -0.124 0.000 0.671 131 V HN 0.718 nan 8.190 nan 0.000 0.455 132 W N 1.364 122.578 121.300 -0.142 0.000 2.354 132 W HA -0.190 4.680 4.660 0.350 0.000 0.315 132 W C 2.462 178.911 176.519 -0.115 0.000 1.206 132 W CA 2.248 59.536 57.345 -0.095 0.000 1.290 132 W CB -0.605 28.822 29.460 -0.055 0.000 1.152 132 W HN 0.176 nan 8.180 nan 0.000 0.489 133 A N 1.163 123.888 122.820 -0.160 0.000 1.927 133 A HA -0.171 4.360 4.320 0.351 0.000 0.220 133 A C 2.269 179.586 177.584 -0.445 0.000 1.185 133 A CA 2.611 54.356 52.037 -0.486 0.000 0.639 133 A CB -1.827 16.787 19.000 -0.642 0.000 0.820 133 A HN 0.525 nan 8.150 nan 0.000 0.451 134 G N -0.321 108.310 108.800 -0.281 0.000 2.491 134 G HA2 -0.313 3.857 3.960 0.351 0.000 0.218 134 G HA3 -0.313 3.857 3.960 0.351 0.000 0.218 134 G C 1.672 176.436 174.900 -0.227 0.000 1.180 134 G CA 1.293 46.276 45.100 -0.196 0.000 0.774 134 G HN 0.621 nan 8.290 nan 0.000 0.562 135 K N 0.101 120.343 120.400 -0.265 0.000 2.032 135 K HA -0.061 4.470 4.320 0.351 0.000 0.209 135 K C 1.462 177.876 176.600 -0.311 0.000 1.048 135 K CA 0.213 56.349 56.287 -0.252 0.000 0.927 135 K CB -0.156 32.200 32.500 -0.240 0.000 0.712 135 K HN 0.107 nan 8.250 nan 0.000 0.441 136 R N 2.305 122.503 120.500 -0.504 0.000 2.526 136 R HA -0.152 4.398 4.340 0.351 0.000 0.319 136 R C -0.372 175.755 176.300 -0.290 0.000 0.888 136 R CA 1.166 56.977 56.100 -0.481 0.000 1.127 136 R CB -0.331 29.546 30.300 -0.704 0.000 0.888 136 R HN 0.393 nan 8.270 nan 0.000 0.410 147 L N 3.952 125.194 121.223 0.032 0.000 2.418 147 L HA 0.475 5.026 4.340 0.351 0.000 0.265 147 L C 0.186 177.107 176.870 0.084 0.000 1.143 147 L CA -0.628 54.246 54.840 0.058 0.000 0.809 147 L CB 0.912 43.031 42.059 0.099 0.000 1.124 147 L HN 0.587 nan 8.230 nan 0.000 0.456 148 I N 3.937 124.565 120.570 0.097 0.000 2.281 148 I HA 0.122 4.503 4.170 0.351 0.000 0.293 148 I C -0.176 176.067 176.117 0.211 0.000 1.085 148 I CA -0.203 61.166 61.300 0.115 0.000 1.257 148 I CB 0.404 38.455 38.000 0.085 0.000 1.430 148 I HN 0.300 nan 8.210 nan 0.000 0.489 149 I N 6.633 127.319 120.570 0.192 0.000 2.243 149 I HA 0.037 4.417 4.170 0.351 0.000 0.297 149 I C 0.844 177.053 176.117 0.154 0.000 1.161 149 I CA -0.019 61.415 61.300 0.223 0.000 1.298 149 I CB -0.297 37.779 38.000 0.127 0.000 1.475 149 I HN 0.583 nan 8.210 nan 0.000 0.561 150 D N 3.568 124.071 120.400 0.172 0.000 2.120 150 D HA 0.169 5.020 4.640 0.351 0.000 0.202 150 D C 1.100 177.224 176.300 -0.293 0.000 0.972 150 D CA 0.825 54.852 54.000 0.045 0.000 0.837 150 D CB 0.257 41.204 40.800 0.245 0.000 0.989 150 D HN 0.493 nan 8.370 nan 0.000 0.469 151 G N -0.989 107.604 108.800 -0.346 0.000 2.344 151 G HA2 0.340 4.511 3.960 0.351 0.000 0.282 151 G HA3 0.340 4.511 3.960 0.351 0.000 0.282 151 G C -2.084 172.693 174.900 -0.207 0.000 1.281 151 G CA -0.807 43.975 45.100 -0.530 0.000 0.877 151 G HN 0.172 nan 8.290 nan 0.000 0.494 152 L N 1.066 122.258 121.223 -0.051 0.000 2.313 152 L HA 0.651 5.202 4.340 0.351 0.000 0.283 152 L C -0.144 176.958 176.870 0.387 0.000 1.013 152 L CA -0.726 54.209 54.840 0.159 0.000 0.816 152 L CB 1.971 44.064 42.059 0.057 0.000 1.236 152 L HN 0.472 nan 8.230 nan 0.000 0.419 153 S N 4.793 120.688 115.700 0.324 0.000 2.420 153 S HA 0.501 5.182 4.470 0.351 0.000 0.313 153 S C -0.259 174.435 174.600 0.157 0.000 1.079 153 S CA -0.404 57.957 58.200 0.268 0.000 1.104 153 S CB 0.415 63.724 63.200 0.180 0.000 0.969 153 S HN 0.332 nan 8.310 nan 0.000 0.471 154 I N 3.884 124.573 120.570 0.199 0.000 2.291 154 I HA 0.236 4.617 4.170 0.351 0.000 0.290 154 I C -0.308 175.881 176.117 0.120 0.000 1.050 154 I CA -0.417 60.994 61.300 0.185 0.000 1.245 154 I CB 1.048 39.218 38.000 0.283 0.000 1.405 154 I HN 0.226 nan 8.210 nan 0.000 0.478 155 V N 7.925 127.886 119.914 0.078 0.000 2.408 155 V HA 0.260 4.591 4.120 0.351 0.000 0.267 155 V C 0.395 176.505 176.094 0.026 0.000 1.047 155 V CA -0.179 62.150 62.300 0.047 0.000 0.937 155 V CB 0.670 32.513 31.823 0.033 0.000 0.999 155 V HN 0.479 nan 8.190 nan 0.000 0.472 156 I N 7.861 128.439 120.570 0.013 0.000 2.347 156 I HA 0.300 4.681 4.170 0.351 0.000 0.283 156 I C -2.399 173.704 176.117 -0.023 0.000 1.058 156 I CA -1.974 59.316 61.300 -0.017 0.000 1.202 156 I CB 1.459 39.438 38.000 -0.037 0.000 1.386 156 I HN 0.399 nan 8.210 nan 0.000 0.475 157 P HA 0.079 nan 4.420 nan 0.000 0.265 157 P C -0.568 176.719 177.300 -0.021 0.000 1.222 157 P CA 0.379 63.444 63.100 -0.058 0.000 0.767 157 P CB 0.557 32.190 31.700 -0.112 0.000 0.801 158 T N 3.523 118.088 114.554 0.018 0.000 2.887 158 T HA 0.451 5.012 4.350 0.351 0.000 0.288 158 T C -1.350 173.440 174.700 0.151 0.000 1.021 158 T CA -0.156 61.982 62.100 0.064 0.000 1.000 158 T CB 0.933 69.840 68.868 0.064 0.000 1.034 158 T HN 0.172 nan 8.240 nan 0.000 0.467 159 Y N 3.992 124.290 120.300 -0.003 0.000 2.517 159 Y HA 0.261 5.021 4.550 0.351 0.000 0.328 159 Y C 0.227 176.143 175.900 0.026 0.000 1.130 159 Y CA -0.708 57.397 58.100 0.008 0.000 1.280 159 Y CB -0.628 37.832 38.460 0.000 0.000 1.101 159 Y HN 0.858 nan 8.280 nan 0.000 0.610 160 N N 1.984 120.567 118.700 -0.196 0.000 1.755 160 N HA -0.251 4.699 4.740 0.351 0.000 0.158 160 N C -0.298 175.170 175.510 -0.070 0.000 0.881 160 N CA 1.108 54.040 53.050 -0.195 0.000 0.957 160 N CB -0.509 37.770 38.487 -0.346 0.000 1.145 160 N HN 0.740 nan 8.380 nan 0.000 0.582 161 R N -0.653 119.820 120.500 -0.046 0.000 3.627 161 R HA -0.229 4.322 4.340 0.351 0.000 0.281 161 R C 1.161 177.459 176.300 -0.003 0.000 1.140 161 R CA 0.902 57.000 56.100 -0.003 0.000 0.761 161 R CB -2.161 28.148 30.300 0.015 0.000 1.181 161 R HN 0.636 nan 8.270 nan 0.000 0.472 162 A N 0.801 123.616 122.820 -0.010 0.000 2.032 162 A HA -0.229 4.302 4.320 0.351 0.000 0.221 162 A C 1.974 179.576 177.584 0.030 0.000 1.165 162 A CA 1.648 53.683 52.037 -0.004 0.000 0.645 162 A CB -0.192 18.804 19.000 -0.007 0.000 0.807 162 A HN 0.435 nan 8.150 nan 0.000 0.453 163 K N -0.729 119.706 120.400 0.059 0.000 2.116 163 K HA 0.074 4.605 4.320 0.351 0.000 0.203 163 K C 1.791 178.452 176.600 0.101 0.000 1.052 163 K CA 1.147 57.505 56.287 0.118 0.000 0.952 163 K CB -0.243 32.329 32.500 0.120 0.000 0.729 163 K HN 0.547 nan 8.250 nan 0.000 0.446 164 I N 1.103 121.701 120.570 0.047 0.000 2.226 164 I HA -0.279 4.102 4.170 0.351 0.000 0.245 164 I C 2.361 178.447 176.117 -0.052 0.000 1.100 164 I CA 0.666 61.969 61.300 0.004 0.000 1.374 164 I CB -0.239 37.757 38.000 -0.008 0.000 1.057 164 I HN 0.106 nan 8.210 nan 0.000 0.413 165 L N 1.503 122.690 121.223 -0.060 0.000 2.013 165 L HA -0.235 4.316 4.340 0.351 0.000 0.212 165 L C 2.641 179.395 176.870 -0.195 0.000 1.073 165 L CA 2.282 57.047 54.840 -0.125 0.000 0.753 165 L CB -0.816 41.182 42.059 -0.103 0.000 0.890 165 L HN 0.217 nan 8.230 nan 0.000 0.432 166 A N -0.354 122.404 122.820 -0.103 0.000 1.917 166 A HA -0.259 4.271 4.320 0.351 0.000 0.219 166 A C 2.318 179.907 177.584 0.008 0.000 1.182 166 A CA 2.442 54.435 52.037 -0.074 0.000 0.633 166 A CB -1.012 18.049 19.000 0.102 0.000 0.819 166 A HN 0.557 nan 8.150 nan 0.000 0.448 167 I N -0.839 119.761 120.570 0.051 0.000 2.252 167 I HA -0.205 4.176 4.170 0.351 0.000 0.245 167 I C 2.607 178.562 176.117 -0.270 0.000 1.102 167 I CA 1.687 62.943 61.300 -0.075 0.000 1.385 167 I CB -0.459 37.415 38.000 -0.210 0.000 1.064 167 I HN 0.286 nan 8.210 nan 0.000 0.414 168 T N 1.339 115.732 114.554 -0.268 0.000 2.674 168 T HA -0.136 4.425 4.350 0.351 0.000 0.265 168 T C 1.945 176.454 174.700 -0.318 0.000 1.039 168 T CA 1.263 63.185 62.100 -0.296 0.000 1.150 168 T CB -0.341 68.368 68.868 -0.264 0.000 0.864 168 T HN 0.228 nan 8.240 nan 0.000 0.427 169 L N 0.854 121.810 121.223 -0.446 0.000 2.042 169 L HA -0.140 4.411 4.340 0.351 0.000 0.210 169 L C 3.073 179.676 176.870 -0.445 0.000 1.076 169 L CA 1.289 55.740 54.840 -0.649 0.000 0.749 169 L CB -0.789 40.440 42.059 -1.383 0.000 0.893 169 L HN 0.255 nan 8.230 nan 0.000 0.432 170 A N -0.745 121.940 122.820 -0.226 0.000 1.940 170 A HA -0.238 4.293 4.320 0.351 0.000 0.219 170 A C 2.392 180.051 177.584 0.125 0.000 1.176 170 A CA 1.956 54.143 52.037 0.249 0.000 0.631 170 A CB -1.125 18.129 19.000 0.423 0.000 0.814 170 A HN 0.555 nan 8.150 nan 0.000 0.446 171 C N -1.049 118.231 119.300 -0.034 0.000 2.435 171 C HA 0.022 4.693 4.460 0.351 0.000 0.279 171 C C 2.512 177.494 174.990 -0.013 0.000 1.321 171 C CA 0.825 59.821 59.018 -0.037 0.000 1.752 171 C CB -1.443 26.204 27.740 -0.155 0.000 1.959 171 C HN 0.622 nan 8.230 nan 0.000 0.500 172 L N -0.309 120.889 121.223 -0.042 0.000 2.376 172 L HA -0.124 4.427 4.340 0.351 0.000 0.219 172 L C 2.391 179.375 176.870 0.190 0.000 1.133 172 L CA 0.808 55.671 54.840 0.039 0.000 0.816 172 L CB -0.439 41.638 42.059 0.030 0.000 0.933 172 L HN 0.464 nan 8.230 nan 0.000 0.449 173 C N -0.310 119.094 119.300 0.173 0.000 2.450 173 C HA -0.090 4.581 4.460 0.351 0.000 0.279 173 C C 1.951 177.059 174.990 0.198 0.000 1.335 173 C CA 0.563 59.714 59.018 0.222 0.000 1.749 173 C CB -1.201 26.690 27.740 0.251 0.000 1.963 173 C HN 0.553 nan 8.230 nan 0.000 0.501 174 N N 0.508 119.304 118.700 0.160 0.000 2.362 174 N HA 0.009 4.960 4.740 0.351 0.000 0.211 174 N C -0.172 175.407 175.510 0.116 0.000 1.170 174 N CA -0.154 52.976 53.050 0.133 0.000 0.828 174 N CB 0.071 38.632 38.487 0.124 0.000 1.034 174 N HN 0.519 nan 8.380 nan 0.000 0.475 175 Q N 1.289 121.170 119.800 0.135 0.000 2.297 175 Q HA 0.142 4.692 4.340 0.351 0.000 0.267 175 Q C -0.189 175.875 176.000 0.107 0.000 1.006 175 Q CA 0.563 56.419 55.803 0.088 0.000 0.896 175 Q CB 1.001 29.733 28.738 -0.010 0.000 1.186 175 Q HN 0.145 nan 8.270 nan 0.000 0.392 176 K N 2.107 122.550 120.400 0.072 0.000 2.300 176 K HA 0.334 4.865 4.320 0.351 0.000 0.264 176 K C -0.244 176.392 176.600 0.060 0.000 1.083 176 K CA -0.105 56.224 56.287 0.070 0.000 0.958 176 K CB 1.010 33.541 32.500 0.053 0.000 1.318 176 K HN 0.523 nan 8.250 nan 0.000 0.448 177 T N 0.523 115.129 114.554 0.087 0.000 2.792 177 T HA 0.402 4.963 4.350 0.351 0.000 0.303 177 T C 0.585 175.342 174.700 0.096 0.000 1.310 177 T CA -0.763 61.396 62.100 0.098 0.000 1.007 177 T CB 0.952 69.882 68.868 0.103 0.000 1.335 177 T HN 0.483 nan 8.240 nan 0.000 0.504 178 I N -1.081 119.523 120.570 0.057 0.000 3.526 178 I HA 0.453 4.834 4.170 0.351 0.000 0.294 178 I C -0.109 175.934 176.117 -0.124 0.000 1.229 178 I CA -0.370 60.875 61.300 -0.091 0.000 1.408 178 I CB -0.074 37.770 38.000 -0.260 0.000 1.127 178 I HN 0.401 nan 8.210 nan 0.000 0.439 179 Y N 3.159 123.456 120.300 -0.004 0.000 2.379 179 Y HA 0.253 5.015 4.550 0.352 0.000 0.337 179 Y C 0.300 176.233 175.900 0.054 0.000 1.238 179 Y CA -0.335 57.751 58.100 -0.023 0.000 1.405 179 Y CB -0.055 38.356 38.460 -0.082 0.000 1.310 179 Y HN 0.038 nan 8.280 nan 0.000 0.569 180 D N 1.118 121.587 120.400 0.114 0.000 2.341 180 D HA 0.218 5.069 4.640 0.351 0.000 0.245 180 D C -0.820 175.544 176.300 0.107 0.000 1.106 180 D CA 0.278 54.318 54.000 0.067 0.000 0.905 180 D CB 0.512 41.276 40.800 -0.060 0.000 1.202 180 D HN 0.479 nan 8.370 nan 0.000 0.426 181 Y N -1.702 118.633 120.300 0.060 0.000 2.625 181 Y HA 0.592 5.350 4.550 0.347 0.000 0.338 181 Y C -1.015 175.068 175.900 0.305 0.000 1.123 181 Y CA -1.287 56.913 58.100 0.167 0.000 1.046 181 Y CB 1.089 39.634 38.460 0.142 0.000 1.299 181 Y HN 0.368 nan 8.280 nan 0.000 0.464 182 E N 0.618 121.107 120.200 0.482 0.000 2.340 182 E HA 0.723 5.284 4.350 0.351 0.000 0.273 182 E C -2.030 174.730 176.600 0.267 0.000 0.891 182 E CA -1.352 55.209 56.400 0.268 0.000 0.757 182 E CB 2.775 32.590 29.700 0.192 0.000 1.231 182 E HN 0.516 nan 8.360 nan 0.000 0.439 183 V N 3.427 123.444 119.914 0.171 0.000 2.313 183 V HA 0.343 4.674 4.120 0.351 0.000 0.278 183 V C -0.287 175.863 176.094 0.094 0.000 1.017 183 V CA -0.578 61.808 62.300 0.144 0.000 0.823 183 V CB 0.565 32.457 31.823 0.114 0.000 1.010 183 V HN 0.643 nan 8.190 nan 0.000 0.443 184 I N 5.116 125.739 120.570 0.088 0.000 2.307 184 I HA 0.319 4.700 4.170 0.351 0.000 0.289 184 I C -0.141 176.014 176.117 0.063 0.000 1.021 184 I CA -0.669 60.672 61.300 0.068 0.000 1.224 184 I CB 1.695 39.727 38.000 0.052 0.000 1.376 184 I HN 0.283 nan 8.210 nan 0.000 0.470 185 V N 6.438 126.410 119.914 0.097 0.000 2.372 185 V HA 0.305 4.636 4.120 0.351 0.000 0.261 185 V C 0.789 176.933 176.094 0.082 0.000 1.055 185 V CA -0.476 61.896 62.300 0.120 0.000 0.930 185 V CB 0.823 32.788 31.823 0.237 0.000 1.031 185 V HN 0.823 nan 8.190 nan 0.000 0.479 186 A N 3.934 126.769 122.820 0.026 0.000 2.316 186 A HA 0.443 4.974 4.320 0.351 0.000 0.311 186 A C 0.002 177.586 177.584 0.001 0.000 1.339 186 A CA -0.348 51.675 52.037 -0.024 0.000 0.960 186 A CB 0.069 19.046 19.000 -0.038 0.000 1.152 186 A HN 0.783 nan 8.150 nan 0.000 0.547 187 D N 2.352 122.746 120.400 -0.010 0.000 2.396 187 D HA 0.204 5.054 4.640 0.351 0.000 0.225 187 D C -0.503 175.822 176.300 0.042 0.000 1.121 187 D CA -0.226 53.816 54.000 0.070 0.000 0.853 187 D CB 1.042 41.953 40.800 0.185 0.000 1.043 187 D HN 0.486 nan 8.370 nan 0.000 0.500 188 D N 2.695 123.127 120.400 0.054 0.000 2.845 188 D HA 0.372 5.223 4.640 0.351 0.000 0.235 188 D C 0.988 177.350 176.300 0.103 0.000 1.158 188 D CA 0.155 54.155 54.000 0.001 0.000 0.990 188 D CB -0.694 40.008 40.800 -0.164 0.000 1.094 188 D HN 0.579 nan 8.370 nan 0.000 0.486 189 G N 1.180 110.073 108.800 0.154 0.000 2.171 189 G HA2 -0.252 3.918 3.960 0.351 0.000 0.238 189 G HA3 -0.252 3.918 3.960 0.351 0.000 0.238 189 G C 0.382 175.445 174.900 0.271 0.000 1.039 189 G CA -0.007 45.216 45.100 0.205 0.000 0.759 189 G HN 0.420 nan 8.290 nan 0.000 0.501 190 S N -0.523 115.289 115.700 0.187 0.000 2.549 190 S HA 0.252 4.933 4.470 0.351 0.000 0.286 190 S C 1.564 176.158 174.600 -0.010 0.000 1.314 190 S CA 0.521 58.719 58.200 -0.004 0.000 1.062 190 S CB 1.552 64.754 63.200 0.003 0.000 0.865 190 S HN 0.561 nan 8.310 nan 0.000 0.498 191 K N 2.407 122.749 120.400 -0.097 0.000 2.098 191 K HA 0.024 4.555 4.320 0.351 0.000 0.203 191 K C 0.333 176.914 176.600 -0.032 0.000 1.051 191 K CA 0.714 56.977 56.287 -0.039 0.000 0.957 191 K CB 0.063 32.529 32.500 -0.057 0.000 0.738 191 K HN 0.678 nan 8.250 nan 0.000 0.447 192 E N 1.090 121.251 120.200 -0.065 0.000 2.428 192 E HA -0.053 4.508 4.350 0.351 0.000 0.257 192 E C -0.191 176.396 176.600 -0.022 0.000 1.197 192 E CA -0.226 56.149 56.400 -0.042 0.000 0.974 192 E CB 0.291 29.956 29.700 -0.058 0.000 0.976 192 E HN 0.130 nan 8.360 nan 0.000 0.463 193 N N 2.291 120.978 118.700 -0.021 0.000 2.807 193 N HA 0.005 4.956 4.740 0.351 0.000 0.259 193 N C 0.418 175.888 175.510 -0.066 0.000 1.149 193 N CA -0.071 52.962 53.050 -0.029 0.000 1.042 193 N CB 0.183 38.655 38.487 -0.024 0.000 1.367 193 N HN 0.422 nan 8.380 nan 0.000 0.516 194 I N 1.116 121.640 120.570 -0.077 0.000 2.315 194 I HA -0.194 4.186 4.170 0.351 0.000 0.248 194 I C 2.304 178.198 176.117 -0.371 0.000 1.117 194 I CA 0.886 62.098 61.300 -0.147 0.000 1.404 194 I CB -0.692 37.285 38.000 -0.039 0.000 1.071 194 I HN 0.581 nan 8.210 nan 0.000 0.419 195 E N 1.201 121.110 120.200 -0.486 0.000 2.070 195 E HA -0.309 4.252 4.350 0.351 0.000 0.197 195 E C 2.050 178.469 176.600 -0.302 0.000 1.004 195 E CA 1.937 57.973 56.400 -0.607 0.000 0.805 195 E CB -0.059 29.467 29.700 -0.291 0.000 0.744 195 E HN 0.570 nan 8.360 nan 0.000 0.451 196 E N -0.087 120.011 120.200 -0.169 0.000 2.070 196 E HA -0.216 4.345 4.350 0.351 0.000 0.197 196 E C 2.192 178.740 176.600 -0.086 0.000 1.004 196 E CA 1.540 57.883 56.400 -0.095 0.000 0.805 196 E CB -0.075 29.594 29.700 -0.052 0.000 0.744 196 E HN 0.232 nan 8.360 nan 0.000 0.451 197 I N 0.860 121.375 120.570 -0.092 0.000 2.179 197 I HA -0.223 4.157 4.170 0.351 0.000 0.242 197 I C 2.570 178.700 176.117 0.022 0.000 1.088 197 I CA 0.774 62.051 61.300 -0.038 0.000 1.357 197 I CB -1.305 36.665 38.000 -0.049 0.000 1.051 197 I HN 0.128 nan 8.210 nan 0.000 0.409 198 V N 0.869 120.722 119.914 -0.100 0.000 2.233 198 V HA -0.309 4.022 4.120 0.351 0.000 0.247 198 V C 2.715 178.810 176.094 0.002 0.000 1.050 198 V CA 2.150 64.409 62.300 -0.068 0.000 1.010 198 V CB -0.794 30.892 31.823 -0.229 0.000 0.637 198 V HN 0.339 nan 8.190 nan 0.000 0.444 199 R N -0.360 120.101 120.500 -0.065 0.000 2.211 199 R HA -0.250 4.301 4.340 0.351 0.000 0.240 199 R C 2.188 178.473 176.300 -0.026 0.000 1.144 199 R CA 1.814 57.892 56.100 -0.036 0.000 0.992 199 R CB -0.139 30.128 30.300 -0.055 0.000 0.869 199 R HN 0.663 nan 8.270 nan 0.000 0.462 200 E N -0.650 119.530 120.200 -0.034 0.000 2.076 200 E HA -0.101 4.460 4.350 0.351 0.000 0.190 200 E C 0.708 177.199 176.600 -0.181 0.000 0.979 200 E CA 1.089 57.416 56.400 -0.122 0.000 0.807 200 E CB -0.083 29.496 29.700 -0.201 0.000 0.761 200 E HN 0.310 nan 8.360 nan 0.000 0.454 201 F N 1.655 121.538 119.950 -0.112 0.000 2.769 201 F HA 0.138 4.877 4.527 0.353 0.000 0.304 201 F C 1.619 177.396 175.800 -0.039 0.000 1.158 201 F CA 0.276 58.229 58.000 -0.078 0.000 1.398 201 F CB 0.104 39.049 39.000 -0.091 0.000 1.094 201 F HN 0.076 nan 8.300 nan 0.000 0.553 202 E N -0.154 120.094 120.200 0.080 0.000 2.077 202 E HA -0.173 4.388 4.350 0.351 0.000 0.193 202 E C 1.723 178.348 176.600 0.041 0.000 0.989 202 E CA 1.562 57.996 56.400 0.056 0.000 0.800 202 E CB -0.302 29.414 29.700 0.027 0.000 0.746 202 E HN 0.341 nan 8.360 nan 0.000 0.452 203 S N -0.112 115.598 115.700 0.018 0.000 2.815 203 S HA 0.278 4.959 4.470 0.351 0.000 0.254 203 S C 1.017 175.633 174.600 0.026 0.000 1.197 203 S CA -0.141 58.067 58.200 0.013 0.000 1.216 203 S CB -0.213 62.984 63.200 -0.003 0.000 0.871 203 S HN 0.159 nan 8.310 nan 0.000 0.473 204 L N -1.282 119.976 121.223 0.058 0.000 3.188 204 L HA 0.427 4.977 4.340 0.351 0.000 0.327 204 L C -0.438 176.486 176.870 0.090 0.000 1.009 204 L CA 0.063 54.954 54.840 0.086 0.000 1.373 204 L CB 0.284 42.424 42.059 0.135 0.000 2.331 204 L HN 0.288 nan 8.230 nan 0.000 0.594 205 L N 0.415 121.696 121.223 0.096 0.000 2.388 205 L HA 0.484 5.035 4.340 0.351 0.000 0.264 205 L C -0.792 176.088 176.870 0.017 0.000 0.998 205 L CA -0.746 54.122 54.840 0.046 0.000 0.817 205 L CB 1.869 43.984 42.059 0.094 0.000 1.338 205 L HN -0.027 nan 8.230 nan 0.000 0.414 206 N N 3.250 121.927 118.700 -0.038 0.000 2.508 206 N HA 0.301 5.252 4.740 0.351 0.000 0.253 206 N C -0.827 174.698 175.510 0.025 0.000 1.145 206 N CA 0.193 53.239 53.050 -0.007 0.000 0.973 206 N CB 0.924 39.399 38.487 -0.019 0.000 1.305 206 N HN 0.489 nan 8.380 nan 0.000 0.506 207 I N 1.514 122.111 120.570 0.045 0.000 2.362 207 I HA 0.302 4.683 4.170 0.351 0.000 0.289 207 I C -0.597 175.564 176.117 0.074 0.000 0.994 207 I CA -0.760 60.577 61.300 0.063 0.000 1.158 207 I CB 0.865 38.905 38.000 0.067 0.000 1.315 207 I HN 0.010 nan 8.210 nan 0.000 0.451 208 K N 5.960 126.409 120.400 0.080 0.000 2.156 208 K HA 0.432 4.962 4.320 0.351 0.000 0.250 208 K C -1.573 175.118 176.600 0.152 0.000 0.955 208 K CA -0.380 55.961 56.287 0.090 0.000 0.855 208 K CB 1.374 33.902 32.500 0.048 0.000 1.101 208 K HN 0.443 nan 8.250 nan 0.000 0.434 209 Y N 2.108 122.415 120.300 0.011 0.000 2.346 209 Y HA 0.512 5.276 4.550 0.356 0.000 0.332 209 Y C -1.210 174.697 175.900 0.012 0.000 0.985 209 Y CA -1.176 56.930 58.100 0.009 0.000 1.112 209 Y CB 0.935 39.401 38.460 0.010 0.000 1.170 209 Y HN 0.333 nan 8.280 nan 0.000 0.447 210 V N 4.478 124.102 119.914 -0.484 0.000 2.769 210 V HA 0.764 5.095 4.120 0.351 0.000 0.312 210 V C -0.798 174.898 176.094 -0.663 0.000 1.058 210 V CA -1.072 60.943 62.300 -0.474 0.000 0.952 210 V CB 1.914 33.618 31.823 -0.198 0.000 1.019 210 V HN 0.887 nan 8.190 nan 0.000 0.445 211 R N 2.133 122.373 120.500 -0.434 0.000 2.584 211 R HA 0.518 5.069 4.340 0.351 0.000 0.276 211 R C -1.397 174.843 176.300 -0.100 0.000 1.046 211 R CA -0.435 55.499 56.100 -0.276 0.000 0.906 211 R CB 2.497 32.630 30.300 -0.279 0.000 1.215 211 R HN 1.105 nan 8.270 nan 0.000 0.449 212 Q N 2.903 122.690 119.800 -0.020 0.000 2.433 212 Q HA 0.420 4.971 4.340 0.351 0.000 0.279 212 Q C -0.997 175.065 176.000 0.104 0.000 1.105 212 Q CA -1.198 54.635 55.803 0.050 0.000 0.815 212 Q CB 2.373 31.176 28.738 0.109 0.000 1.403 212 Q HN 0.581 nan 8.270 nan 0.000 0.435 213 K N 0.322 120.802 120.400 0.133 0.000 2.187 213 K HA 0.087 4.618 4.320 0.351 0.000 0.247 213 K C -0.425 176.321 176.600 0.242 0.000 1.019 213 K CA -0.521 55.860 56.287 0.157 0.000 0.893 213 K CB 0.363 32.931 32.500 0.112 0.000 1.025 213 K HN 0.578 nan 8.250 nan 0.000 0.500 214 D N 1.933 122.444 120.400 0.186 0.000 2.435 214 D HA 0.000 4.851 4.640 0.351 0.000 0.230 214 D C -0.863 175.555 176.300 0.197 0.000 1.215 214 D CA -0.286 53.808 54.000 0.157 0.000 0.947 214 D CB -0.108 40.785 40.800 0.155 0.000 1.048 214 D HN 0.596 nan 8.370 nan 0.000 0.512 215 Y N 2.168 122.478 120.300 0.016 0.000 2.781 215 Y HA 0.547 5.305 4.550 0.347 0.000 0.326 215 Y C 0.699 176.607 175.900 0.013 0.000 1.019 215 Y CA -0.520 57.590 58.100 0.016 0.000 1.372 215 Y CB 0.225 38.690 38.460 0.008 0.000 1.260 215 Y HN 0.366 nan 8.280 nan 0.000 0.546 216 G N 0.811 109.570 108.800 -0.069 0.000 2.451 216 G HA2 -0.297 3.874 3.960 0.351 0.000 0.208 216 G HA3 -0.297 3.874 3.960 0.351 0.000 0.208 216 G C -1.465 173.308 174.900 -0.212 0.000 1.248 216 G CA -0.534 44.510 45.100 -0.095 0.000 0.989 216 G HN 0.525 nan 8.290 nan 0.000 0.559 217 Y N 2.674 122.801 120.300 -0.289 0.000 2.691 217 Y HA 0.607 5.371 4.550 0.356 0.000 0.338 217 Y C 0.539 176.251 175.900 -0.313 0.000 1.148 217 Y CA -0.364 57.524 58.100 -0.353 0.000 1.430 217 Y CB 0.431 38.711 38.460 -0.300 0.000 1.303 217 Y HN 0.291 nan 8.280 nan 0.000 0.499 218 Q N 7.016 126.428 119.800 -0.646 0.000 2.842 218 Q HA 0.110 4.661 4.340 0.351 0.000 0.323 218 Q C 1.130 176.788 176.000 -0.569 0.000 1.111 218 Q CA -0.065 55.389 55.803 -0.582 0.000 1.047 218 Q CB 1.075 29.347 28.738 -0.778 0.000 1.280 218 Q HN 0.925 nan 8.270 nan 0.000 0.475 219 L N -0.195 120.562 121.223 -0.776 0.000 1.961 219 L HA -0.238 4.313 4.340 0.351 0.000 0.210 219 L C 1.638 178.279 176.870 -0.381 0.000 1.072 219 L CA 1.528 56.001 54.840 -0.611 0.000 0.749 219 L CB -0.050 41.620 42.059 -0.648 0.000 0.889 219 L HN 0.485 nan 8.230 nan 0.000 0.432 220 C N -0.128 119.004 119.300 -0.281 0.000 2.398 220 C HA -0.230 4.441 4.460 0.351 0.000 0.276 220 C C 2.994 177.933 174.990 -0.085 0.000 1.222 220 C CA 0.652 59.566 59.018 -0.175 0.000 1.746 220 C CB -1.500 26.272 27.740 0.054 0.000 2.039 220 C HN 0.745 nan 8.230 nan 0.000 0.470 221 A N 0.078 122.859 122.820 -0.064 0.000 1.852 221 A HA -0.242 4.289 4.320 0.351 0.000 0.217 221 A C 2.404 179.970 177.584 -0.031 0.000 1.215 221 A CA 2.505 54.542 52.037 -0.000 0.000 0.641 221 A CB -1.369 17.642 19.000 0.018 0.000 0.838 221 A HN 0.401 nan 8.150 nan 0.000 0.450 222 V N 0.033 119.886 119.914 -0.100 0.000 2.324 222 V HA -0.306 4.025 4.120 0.351 0.000 0.250 222 V C 2.660 178.703 176.094 -0.086 0.000 1.060 222 V CA 2.683 64.927 62.300 -0.092 0.000 1.042 222 V CB -0.706 31.037 31.823 -0.134 0.000 0.650 222 V HN 0.620 nan 8.190 nan 0.000 0.450 223 R N -0.161 120.246 120.500 -0.156 0.000 2.091 223 R HA -0.164 4.387 4.340 0.351 0.000 0.238 223 R C 2.189 178.501 176.300 0.020 0.000 1.136 223 R CA 1.932 57.928 56.100 -0.175 0.000 0.959 223 R CB -0.435 29.552 30.300 -0.522 0.000 0.856 223 R HN 0.600 nan 8.270 nan 0.000 0.437 224 N N 0.945 119.706 118.700 0.103 0.000 2.106 224 N HA -0.176 4.774 4.740 0.351 0.000 0.188 224 N C 1.882 177.486 175.510 0.156 0.000 1.029 224 N CA 0.868 54.084 53.050 0.277 0.000 0.848 224 N CB -0.313 38.298 38.487 0.207 0.000 1.007 224 N HN 0.209 nan 8.380 nan 0.000 0.423 225 L N 0.989 122.239 121.223 0.045 0.000 1.997 225 L HA -0.184 4.367 4.340 0.351 0.000 0.216 225 L C 2.205 179.100 176.870 0.041 0.000 1.074 225 L CA 1.977 56.822 54.840 0.008 0.000 0.763 225 L CB -0.864 41.184 42.059 -0.017 0.000 0.890 225 L HN 0.177 nan 8.230 nan 0.000 0.434 226 G N -0.277 108.549 108.800 0.044 0.000 2.433 226 G HA2 -0.258 3.912 3.960 0.351 0.000 0.216 226 G HA3 -0.258 3.912 3.960 0.351 0.000 0.216 226 G C 1.539 176.506 174.900 0.111 0.000 1.186 226 G CA 0.895 46.026 45.100 0.051 0.000 0.779 226 G HN 0.391 nan 8.290 nan 0.000 0.543 227 L N -0.200 121.133 121.223 0.183 0.000 2.079 227 L HA -0.111 4.440 4.340 0.351 0.000 0.210 227 L C 3.179 180.258 176.870 0.347 0.000 1.081 227 L CA 1.041 56.030 54.840 0.249 0.000 0.752 227 L CB -0.330 41.928 42.059 0.330 0.000 0.896 227 L HN 0.183 nan 8.230 nan 0.000 0.433 228 R N -0.218 120.519 120.500 0.394 0.000 2.081 228 R HA -0.116 4.435 4.340 0.351 0.000 0.235 228 R C 2.322 178.731 176.300 0.182 0.000 1.131 228 R CA 1.364 57.644 56.100 0.301 0.000 0.960 228 R CB -0.396 29.931 30.300 0.045 0.000 0.856 228 R HN 0.341 nan 8.270 nan 0.000 0.436 229 A N 1.248 124.135 122.820 0.111 0.000 2.119 229 A HA 0.134 4.665 4.320 0.351 0.000 0.217 229 A C 1.043 178.658 177.584 0.052 0.000 1.153 229 A CA 0.631 52.705 52.037 0.061 0.000 0.692 229 A CB -0.234 18.783 19.000 0.027 0.000 0.799 229 A HN 0.353 nan 8.150 nan 0.000 0.458 230 A N 0.527 123.395 122.820 0.080 0.000 2.565 230 A HA 0.303 4.833 4.320 0.351 0.000 0.237 230 A C 1.104 178.698 177.584 0.017 0.000 1.053 230 A CA 0.723 52.789 52.037 0.049 0.000 0.755 230 A CB 0.040 19.086 19.000 0.075 0.000 0.980 230 A HN 0.628 nan 8.150 nan 0.000 0.506 231 K N 1.140 121.477 120.400 -0.105 0.000 2.373 231 K HA 0.210 4.741 4.320 0.351 0.000 0.200 231 K C -0.762 175.737 176.600 -0.168 0.000 1.054 231 K CA -0.126 56.060 56.287 -0.168 0.000 1.065 231 K CB 0.197 32.527 32.500 -0.283 0.000 0.886 231 K HN 0.548 nan 8.250 nan 0.000 0.546 232 Y N 1.319 121.667 120.300 0.079 0.000 2.545 232 Y HA 0.284 5.045 4.550 0.351 0.000 0.324 232 Y C 1.049 176.967 175.900 0.031 0.000 1.220 232 Y CA -1.589 56.559 58.100 0.081 0.000 1.290 232 Y CB 0.643 39.178 38.460 0.126 0.000 1.355 232 Y HN -0.076 nan 8.280 nan 0.000 0.516 233 N N -0.058 118.744 118.700 0.169 0.000 2.461 233 N HA -0.028 4.923 4.740 0.351 0.000 0.188 233 N C -1.208 173.980 175.510 -0.537 0.000 1.134 233 N CA 0.594 53.536 53.050 -0.180 0.000 0.878 233 N CB 0.035 38.337 38.487 -0.309 0.000 0.972 233 N HN 0.445 nan 8.380 nan 0.000 0.456 234 Y N -0.368 119.982 120.300 0.083 0.000 2.442 234 Y HA 0.430 5.204 4.550 0.374 0.000 0.344 234 Y C 0.296 176.151 175.900 -0.075 0.000 0.976 234 Y CA -1.289 56.795 58.100 -0.026 0.000 1.040 234 Y CB 1.642 40.055 38.460 -0.080 0.000 1.228 234 Y HN -0.277 nan 8.280 nan 0.000 0.451 235 V N -0.447 119.376 119.914 -0.152 0.000 3.158 235 V HA 1.082 5.412 4.120 0.351 0.000 0.315 235 V C -0.692 175.142 176.094 -0.434 0.000 1.148 235 V CA -1.202 60.938 62.300 -0.267 0.000 1.042 235 V CB 1.706 33.309 31.823 -0.366 0.000 1.101 235 V HN 1.002 nan 8.190 nan 0.000 0.448 236 A N 1.538 124.190 122.820 -0.279 0.000 2.566 236 A HA 0.873 5.404 4.320 0.351 0.000 0.297 236 A C -1.252 176.331 177.584 -0.001 0.000 1.059 236 A CA -0.588 51.317 52.037 -0.220 0.000 0.691 236 A CB 1.393 20.296 19.000 -0.163 0.000 1.282 236 A HN 0.972 nan 8.150 nan 0.000 0.401 237 I N 1.039 121.648 120.570 0.065 0.000 2.530 237 I HA 0.683 5.064 4.170 0.351 0.000 0.297 237 I C -1.150 175.059 176.117 0.153 0.000 1.011 237 I CA -0.937 60.421 61.300 0.097 0.000 1.107 237 I CB 2.064 40.112 38.000 0.080 0.000 1.285 237 I HN 0.480 nan 8.210 nan 0.000 0.436 238 L N 4.906 126.170 121.223 0.068 0.000 2.620 238 L HA 0.405 4.956 4.340 0.351 0.000 0.261 238 L C -0.945 175.888 176.870 -0.062 0.000 0.978 238 L CA -0.265 54.575 54.840 -0.001 0.000 0.897 238 L CB 1.081 43.075 42.059 -0.107 0.000 1.207 238 L HN 0.425 nan 8.230 nan 0.000 0.425 239 D N 2.522 122.888 120.400 -0.056 0.000 2.629 239 D HA -0.093 4.758 4.640 0.351 0.000 0.228 239 D C 1.645 177.884 176.300 -0.101 0.000 1.127 239 D CA 0.748 54.708 54.000 -0.067 0.000 0.855 239 D CB 0.900 41.668 40.800 -0.053 0.000 1.180 239 D HN 0.869 nan 8.370 nan 0.000 0.484 240 C N 1.382 120.636 119.300 -0.077 0.000 2.396 240 C HA -0.240 4.431 4.460 0.351 0.000 0.279 240 C C 1.409 176.323 174.990 -0.127 0.000 1.229 240 C CA 1.186 60.151 59.018 -0.088 0.000 1.801 240 C CB -1.020 26.696 27.740 -0.040 0.000 2.050 240 C HN 0.702 nan 8.230 nan 0.000 0.491 241 D N -0.863 119.449 120.400 -0.147 0.000 2.342 241 D HA 0.119 4.970 4.640 0.351 0.000 0.221 241 D C 0.694 176.850 176.300 -0.241 0.000 1.101 241 D CA 0.044 53.930 54.000 -0.190 0.000 0.837 241 D CB -0.439 40.232 40.800 -0.215 0.000 0.938 241 D HN 0.343 nan 8.370 nan 0.000 0.508 242 M N 1.600 121.063 119.600 -0.229 0.000 3.176 242 M HA 0.359 5.050 4.480 0.351 0.000 0.284 242 M C -0.121 176.011 176.300 -0.280 0.000 1.392 242 M CA -0.622 54.542 55.300 -0.227 0.000 1.520 242 M CB 0.113 32.593 32.600 -0.200 0.000 1.100 242 M HN 0.130 nan 8.290 nan 0.000 0.555 243 A N 5.689 128.379 122.820 -0.217 0.000 2.513 243 A HA 0.288 4.819 4.320 0.351 0.000 0.274 243 A C -1.984 175.453 177.584 -0.244 0.000 1.115 243 A CA -0.683 51.214 52.037 -0.233 0.000 0.792 243 A CB -0.887 17.998 19.000 -0.192 0.000 1.053 243 A HN 0.397 nan 8.150 nan 0.000 0.515 244 P HA 0.059 nan 4.420 nan 0.000 0.275 244 P C -0.385 176.778 177.300 -0.228 0.000 1.228 244 P CA -0.485 62.242 63.100 -0.621 0.000 0.786 244 P CB 0.788 31.792 31.700 -1.161 0.000 0.927 245 N N 2.804 121.428 118.700 -0.127 0.000 2.424 245 N HA 0.079 5.030 4.740 0.351 0.000 0.257 245 N C -1.986 173.561 175.510 0.063 0.000 1.250 245 N CA -1.472 51.618 53.050 0.068 0.000 0.946 245 N CB -0.136 38.393 38.487 0.071 0.000 1.175 245 N HN 0.134 nan 8.380 nan 0.000 0.477 246 P HA -0.056 nan 4.420 nan 0.000 0.218 246 P C 0.590 177.925 177.300 0.058 0.000 1.146 246 P CA 1.287 64.427 63.100 0.068 0.000 0.813 246 P CB 0.156 31.897 31.700 0.068 0.000 0.778 247 L N -3.331 117.920 121.223 0.047 0.000 2.912 247 L HA 0.214 4.765 4.340 0.351 0.000 0.240 247 L C 1.425 178.283 176.870 -0.020 0.000 1.262 247 L CA -0.439 54.406 54.840 0.009 0.000 1.058 247 L CB -0.462 41.589 42.059 -0.015 0.000 1.383 247 L HN 0.038 nan 8.230 nan 0.000 0.512 248 W N 0.770 121.945 121.300 -0.209 0.000 2.423 248 W HA -0.130 4.739 4.660 0.348 0.000 0.321 248 W C 2.117 178.430 176.519 -0.344 0.000 1.180 248 W CA 1.505 58.655 57.345 -0.325 0.000 1.322 248 W CB -0.273 29.032 29.460 -0.258 0.000 1.174 248 W HN -0.105 nan 8.180 nan 0.000 0.470 249 V N 1.002 120.887 119.914 -0.049 0.000 2.278 249 V HA -0.400 3.931 4.120 0.351 0.000 0.251 249 V C 2.251 178.191 176.094 -0.256 0.000 1.062 249 V CA 2.527 64.693 62.300 -0.223 0.000 1.038 249 V CB -1.443 30.211 31.823 -0.282 0.000 0.646 249 V HN 0.339 nan 8.190 nan 0.000 0.447 250 Q N 0.532 120.236 119.800 -0.159 0.000 2.020 250 Q HA -0.171 4.380 4.340 0.351 0.000 0.202 250 Q C 2.351 178.231 176.000 -0.200 0.000 0.982 250 Q CA 2.368 58.112 55.803 -0.098 0.000 0.838 250 Q CB -0.611 28.117 28.738 -0.015 0.000 0.899 250 Q HN 0.596 nan 8.270 nan 0.000 0.423 251 S N -0.517 115.023 115.700 -0.267 0.000 2.420 251 S HA -0.155 4.525 4.470 0.351 0.000 0.237 251 S C 1.349 175.750 174.600 -0.332 0.000 1.023 251 S CA 1.230 59.241 58.200 -0.315 0.000 0.991 251 S CB -0.375 62.582 63.200 -0.404 0.000 0.792 251 S HN 0.411 nan 8.310 nan 0.000 0.488 252 Y N 0.731 120.760 120.300 -0.452 0.000 2.177 252 Y HA 0.169 4.935 4.550 0.359 0.000 0.291 252 Y C 2.480 178.075 175.900 -0.509 0.000 1.117 252 Y CA 0.261 58.061 58.100 -0.500 0.000 1.114 252 Y CB -0.828 37.244 38.460 -0.646 0.000 1.017 252 Y HN 0.145 nan 8.280 nan 0.000 0.505 253 M N 0.338 119.662 119.600 -0.460 0.000 2.108 253 M HA -0.228 4.463 4.480 0.351 0.000 0.261 253 M C 1.886 177.723 176.300 -0.771 0.000 1.066 253 M CA 1.438 56.216 55.300 -0.870 0.000 1.107 253 M CB -1.367 30.291 32.600 -1.570 0.000 1.356 253 M HN 0.361 nan 8.290 nan 0.000 0.406 254 E N 0.199 120.110 120.200 -0.482 0.000 2.086 254 E HA -0.228 4.333 4.350 0.351 0.000 0.200 254 E C 2.135 178.625 176.600 -0.182 0.000 1.012 254 E CA 1.386 57.668 56.400 -0.197 0.000 0.812 254 E CB -0.255 29.386 29.700 -0.099 0.000 0.743 254 E HN 0.468 nan 8.360 nan 0.000 0.453 255 L N 0.102 121.204 121.223 -0.202 0.000 2.162 255 L HA -0.095 4.456 4.340 0.351 0.000 0.205 255 L C 2.392 179.150 176.870 -0.186 0.000 1.086 255 L CA 0.385 55.128 54.840 -0.162 0.000 0.778 255 L CB -0.176 41.794 42.059 -0.149 0.000 0.928 255 L HN 0.139 nan 8.230 nan 0.000 0.446 256 L N -0.126 120.932 121.223 -0.274 0.000 2.127 256 L HA -0.196 4.355 4.340 0.351 0.000 0.211 256 L C 2.746 179.408 176.870 -0.346 0.000 1.089 256 L CA 1.175 55.828 54.840 -0.312 0.000 0.757 256 L CB -0.638 41.117 42.059 -0.508 0.000 0.899 256 L HN 0.243 nan 8.230 nan 0.000 0.434 257 A N -0.399 122.195 122.820 -0.375 0.000 2.066 257 A HA -0.077 4.454 4.320 0.351 0.000 0.218 257 A C 2.243 179.777 177.584 -0.082 0.000 1.157 257 A CA 1.420 53.320 52.037 -0.229 0.000 0.670 257 A CB -0.531 18.391 19.000 -0.130 0.000 0.804 257 A HN 0.327 nan 8.150 nan 0.000 0.453 258 V N -3.276 116.590 119.914 -0.081 0.000 2.725 258 V HA 0.187 4.518 4.120 0.351 0.000 0.247 258 V C 0.273 176.347 176.094 -0.032 0.000 1.058 258 V CA 1.311 63.584 62.300 -0.045 0.000 1.080 258 V CB 0.042 31.837 31.823 -0.046 0.000 0.713 258 V HN 0.339 nan 8.190 nan 0.000 0.465 259 D N 0.911 121.292 120.400 -0.031 0.000 2.365 259 D HA 0.167 5.018 4.640 0.351 0.000 0.235 259 D C -0.249 176.078 176.300 0.045 0.000 1.368 259 D CA 0.091 54.088 54.000 -0.005 0.000 1.001 259 D CB 1.378 42.157 40.800 -0.035 0.000 1.364 259 D HN 0.468 nan 8.370 nan 0.000 0.577 260 D N 1.982 122.460 120.400 0.131 0.000 2.328 260 D HA -0.022 4.829 4.640 0.351 0.000 0.226 260 D C 0.051 176.555 176.300 0.341 0.000 1.066 260 D CA -0.108 54.050 54.000 0.264 0.000 0.861 260 D CB 0.165 41.190 40.800 0.376 0.000 0.912 260 D HN 0.107 nan 8.370 nan 0.000 0.521 261 N N 0.377 119.231 118.700 0.257 0.000 2.270 261 N HA 0.043 4.993 4.740 0.351 0.000 0.198 261 N C -0.165 175.434 175.510 0.149 0.000 1.117 261 N CA 0.010 53.295 53.050 0.393 0.000 0.845 261 N CB 1.772 40.454 38.487 0.324 0.000 0.980 261 N HN 0.185 nan 8.380 nan 0.000 0.486 262 V N 0.137 120.061 119.914 0.016 0.000 2.540 262 V HA 0.780 5.110 4.120 0.351 0.000 0.302 262 V C -0.960 175.010 176.094 -0.207 0.000 1.035 262 V CA -0.934 61.291 62.300 -0.125 0.000 0.873 262 V CB 1.471 33.232 31.823 -0.104 0.000 0.992 262 V HN 0.097 nan 8.190 nan 0.000 0.428 263 A N 7.246 129.846 122.820 -0.366 0.000 2.309 263 A HA 0.783 5.314 4.320 0.351 0.000 0.298 263 A C -0.498 177.008 177.584 -0.130 0.000 1.165 263 A CA -0.632 51.278 52.037 -0.212 0.000 0.821 263 A CB 0.477 19.317 19.000 -0.268 0.000 1.102 263 A HN 0.974 nan 8.150 nan 0.000 0.500 264 L N 3.413 124.560 121.223 -0.127 0.000 2.275 264 L HA 0.422 4.973 4.340 0.351 0.000 0.288 264 L C -0.467 176.353 176.870 -0.084 0.000 1.046 264 L CA -0.120 54.642 54.840 -0.128 0.000 0.805 264 L CB 0.862 42.842 42.059 -0.131 0.000 1.193 264 L HN 0.550 nan 8.230 nan 0.000 0.426 265 I N 2.404 122.950 120.570 -0.040 0.000 2.331 265 I HA 0.389 4.769 4.170 0.351 0.000 0.292 265 I C 0.765 176.864 176.117 -0.030 0.000 0.998 265 I CA -0.192 61.094 61.300 -0.024 0.000 1.267 265 I CB 1.635 39.666 38.000 0.052 0.000 1.386 265 I HN 0.633 nan 8.210 nan 0.000 0.476 266 G N 7.033 115.887 108.800 0.090 0.000 2.371 266 G HA2 0.637 4.808 3.960 0.351 0.000 0.326 266 G HA3 0.637 4.808 3.960 0.351 0.000 0.326 266 G C -2.799 172.158 174.900 0.094 0.000 1.127 266 G CA -1.258 43.895 45.100 0.088 0.000 0.885 266 G HN 0.318 nan 8.290 nan 0.000 0.477 267 P HA 0.396 nan 4.420 nan 0.000 0.284 267 P C -0.674 176.596 177.300 -0.050 0.000 1.258 267 P CA -0.518 62.632 63.100 0.083 0.000 0.824 267 P CB 2.039 33.786 31.700 0.077 0.000 1.038 268 R N 0.763 121.201 120.500 -0.103 0.000 2.960 268 R HA 0.844 5.395 4.340 0.351 0.000 0.249 268 R C -0.630 175.497 176.300 -0.289 0.000 1.192 268 R CA -1.117 54.850 56.100 -0.222 0.000 1.035 268 R CB 1.689 31.863 30.300 -0.211 0.000 1.234 268 R HN 0.253 nan 8.270 nan 0.000 0.493 269 K N 0.369 120.559 120.400 -0.350 0.000 2.557 269 K HA 0.261 4.792 4.320 0.351 0.000 0.257 269 K C -1.794 174.681 176.600 -0.207 0.000 0.933 269 K CA -0.668 55.484 56.287 -0.225 0.000 0.820 269 K CB 1.986 34.535 32.500 0.081 0.000 1.330 269 K HN 0.406 nan 8.250 nan 0.000 0.432 270 Y N 3.286 123.678 120.300 0.154 0.000 2.308 270 Y HA 0.503 5.263 4.550 0.351 0.000 0.329 270 Y C 0.653 176.647 175.900 0.156 0.000 1.111 270 Y CA -0.606 57.582 58.100 0.146 0.000 1.179 270 Y CB 0.629 39.116 38.460 0.046 0.000 1.201 270 Y HN 0.409 nan 8.280 nan 0.000 0.483 271 I N -0.800 119.953 120.570 0.305 0.000 3.191 271 I HA 0.590 4.971 4.170 0.351 0.000 0.313 271 I C -1.444 174.785 176.117 0.187 0.000 1.193 271 I CA -1.487 59.932 61.300 0.199 0.000 0.968 271 I CB 2.625 40.697 38.000 0.121 0.000 1.262 271 I HN 0.389 nan 8.210 nan 0.000 0.456 272 D N 0.964 121.453 120.400 0.148 0.000 2.232 272 D HA 0.250 5.101 4.640 0.351 0.000 0.242 272 D C 0.013 176.420 176.300 0.178 0.000 1.093 272 D CA -0.480 53.609 54.000 0.149 0.000 0.845 272 D CB 2.200 43.075 40.800 0.125 0.000 1.124 272 D HN 0.706 nan 8.370 nan 0.000 0.467 273 T N 0.091 114.757 114.554 0.186 0.000 2.954 273 T HA -0.026 4.535 4.350 0.351 0.000 0.252 273 T C 1.754 176.613 174.700 0.265 0.000 0.983 273 T CA 0.739 62.985 62.100 0.244 0.000 0.941 273 T CB -0.023 68.946 68.868 0.167 0.000 1.141 273 T HN 0.446 nan 8.240 nan 0.000 0.500 274 S N 2.331 118.135 115.700 0.173 0.000 2.381 274 S HA -0.211 4.470 4.470 0.351 0.000 0.230 274 S C 1.851 176.507 174.600 0.094 0.000 1.052 274 S CA 1.089 59.364 58.200 0.124 0.000 1.068 274 S CB -0.537 62.714 63.200 0.085 0.000 0.918 274 S HN 0.365 nan 8.310 nan 0.000 0.448 275 K N 1.643 122.082 120.400 0.064 0.000 2.442 275 K HA 0.021 4.551 4.320 0.351 0.000 0.199 275 K C 0.714 177.116 176.600 -0.329 0.000 1.044 275 K CA 0.931 57.143 56.287 -0.125 0.000 0.941 275 K CB -0.491 31.896 32.500 -0.188 0.000 0.759 275 K HN 0.711 nan 8.250 nan 0.000 0.472 276 H N -0.583 118.529 119.070 0.070 0.000 2.754 276 H HA 0.324 5.091 4.556 0.352 0.000 0.352 276 H C 0.131 175.525 175.328 0.110 0.000 1.213 276 H CA -0.510 55.575 56.048 0.062 0.000 1.244 276 H CB 1.907 31.714 29.762 0.076 0.000 1.843 276 H HN -0.033 nan 8.280 nan 0.000 0.587 277 T N -1.955 112.728 114.554 0.215 0.000 2.893 277 T HA 0.154 4.715 4.350 0.351 0.000 0.291 277 T C 1.025 175.857 174.700 0.220 0.000 1.028 277 T CA -0.885 61.279 62.100 0.107 0.000 0.995 277 T CB 0.906 69.704 68.868 -0.118 0.000 1.051 277 T HN 0.642 nan 8.240 nan 0.000 0.470 278 Y N 1.727 122.215 120.300 0.313 0.000 2.283 278 Y HA -0.107 4.655 4.550 0.353 0.000 0.285 278 Y C 1.705 177.825 175.900 0.367 0.000 1.176 278 Y CA 0.994 59.325 58.100 0.385 0.000 1.229 278 Y CB -1.277 37.395 38.460 0.354 0.000 0.975 278 Y HN 0.512 nan 8.280 nan 0.000 0.537 279 L N 0.536 121.659 121.223 -0.166 0.000 2.046 279 L HA -0.211 4.340 4.340 0.351 0.000 0.208 279 L C 2.250 179.137 176.870 0.027 0.000 1.077 279 L CA 1.722 56.518 54.840 -0.073 0.000 0.747 279 L CB -0.662 41.226 42.059 -0.285 0.000 0.896 279 L HN 0.179 nan 8.230 nan 0.000 0.432 280 D N -0.097 120.280 120.400 -0.040 0.000 2.133 280 D HA -0.236 4.615 4.640 0.351 0.000 0.192 280 D C 2.016 178.193 176.300 -0.206 0.000 1.001 280 D CA 1.691 55.586 54.000 -0.176 0.000 0.844 280 D CB -0.399 40.211 40.800 -0.316 0.000 0.944 280 D HN 0.260 nan 8.370 nan 0.000 0.447 281 F N 0.333 120.315 119.950 0.053 0.000 2.333 281 F HA -0.011 4.728 4.527 0.353 0.000 0.300 281 F C 2.385 178.235 175.800 0.082 0.000 1.083 281 F CA 0.314 58.344 58.000 0.050 0.000 1.395 281 F CB -0.353 38.684 39.000 0.062 0.000 1.056 281 F HN -0.051 nan 8.300 nan 0.000 0.529 282 L N -0.687 120.690 121.223 0.256 0.000 2.131 282 L HA -0.146 4.405 4.340 0.351 0.000 0.206 282 L C 2.641 179.578 176.870 0.111 0.000 1.087 282 L CA 1.384 56.345 54.840 0.200 0.000 0.767 282 L CB -0.526 41.656 42.059 0.204 0.000 0.917 282 L HN 0.234 nan 8.230 nan 0.000 0.441 283 S N -0.882 114.854 115.700 0.060 0.000 2.356 283 S HA -0.129 4.552 4.470 0.351 0.000 0.219 283 S C 1.234 175.842 174.600 0.013 0.000 1.036 283 S CA 0.077 58.293 58.200 0.026 0.000 0.965 283 S CB -0.374 62.825 63.200 -0.002 0.000 0.864 283 S HN 0.394 nan 8.310 nan 0.000 0.471 284 Q N 1.621 121.409 119.800 -0.020 0.000 3.184 284 Q HA 0.275 4.826 4.340 0.351 0.000 0.288 284 Q C 0.354 176.356 176.000 0.004 0.000 1.412 284 Q CA -0.211 55.568 55.803 -0.040 0.000 0.991 284 Q CB 0.008 28.675 28.738 -0.119 0.000 1.688 284 Q HN 0.497 nan 8.270 nan 0.000 0.554 285 K N 0.362 120.789 120.400 0.045 0.000 2.520 285 K HA -0.129 4.402 4.320 0.351 0.000 0.198 285 K C 0.784 177.427 176.600 0.072 0.000 1.045 285 K CA 0.710 57.044 56.287 0.079 0.000 0.934 285 K CB 0.120 32.663 32.500 0.070 0.000 0.766 285 K HN 0.105 nan 8.250 nan 0.000 0.483 286 S N 0.450 116.174 115.700 0.039 0.000 2.204 286 S HA 0.248 4.929 4.470 0.351 0.000 0.147 286 S C -0.185 174.410 174.600 -0.009 0.000 1.711 286 S CA -0.633 57.584 58.200 0.028 0.000 1.274 286 S CB 0.282 63.493 63.200 0.018 0.000 1.257 286 S HN 0.205 nan 8.310 nan 0.000 0.404 287 L N 3.964 125.186 121.223 -0.002 0.000 2.815 287 L HA 0.598 5.149 4.340 0.351 0.000 0.241 287 L C 1.311 178.151 176.870 -0.051 0.000 1.047 287 L CA 0.653 55.440 54.840 -0.089 0.000 0.939 287 L CB -0.378 41.507 42.059 -0.290 0.000 1.490 287 L HN 0.523 nan 8.230 nan 0.000 0.510 288 I N 0.687 121.315 120.570 0.097 0.000 2.530 288 I HA -0.229 4.152 4.170 0.351 0.000 0.257 288 I C 1.650 177.459 176.117 -0.514 0.000 1.179 288 I CA 1.658 62.919 61.300 -0.065 0.000 1.440 288 I CB -0.558 37.450 38.000 0.014 0.000 1.087 288 I HN 0.429 nan 8.210 nan 0.000 0.440 289 N N -0.530 118.023 118.700 -0.245 0.000 2.395 289 N HA -0.044 4.907 4.740 0.351 0.000 0.175 289 N C 1.386 176.796 175.510 -0.166 0.000 1.029 289 N CA 0.555 53.485 53.050 -0.200 0.000 0.897 289 N CB 0.135 38.630 38.487 0.013 0.000 0.991 289 N HN 0.428 nan 8.380 nan 0.000 0.441 290 E N 0.594 120.712 120.200 -0.136 0.000 2.318 290 E HA 0.084 4.645 4.350 0.351 0.000 0.193 290 E C 0.045 176.588 176.600 -0.094 0.000 0.998 290 E CA 0.149 56.496 56.400 -0.088 0.000 0.859 290 E CB 0.433 30.094 29.700 -0.065 0.000 0.812 290 E HN 0.310 nan 8.360 nan 0.000 0.492 291 I N 4.357 124.839 120.570 -0.146 0.000 2.683 291 I HA 0.021 4.401 4.170 0.351 0.000 0.286 291 I C -1.881 174.195 176.117 -0.068 0.000 1.175 291 I CA -1.662 59.580 61.300 -0.097 0.000 1.429 291 I CB 0.012 37.949 38.000 -0.106 0.000 1.371 291 I HN -0.119 nan 8.210 nan 0.000 0.569 292 P HA 0.090 nan 4.420 nan 0.000 0.271 292 P C -0.763 176.573 177.300 0.059 0.000 1.216 292 P CA -0.284 62.833 63.100 0.028 0.000 0.771 292 P CB 0.520 32.241 31.700 0.035 0.000 0.864 293 E N 2.452 122.699 120.200 0.078 0.000 2.398 293 E HA 0.212 4.773 4.350 0.351 0.000 0.263 293 E C 0.612 177.279 176.600 0.112 0.000 1.046 293 E CA -0.252 56.220 56.400 0.120 0.000 0.908 293 E CB 0.324 30.100 29.700 0.126 0.000 0.963 293 E HN 0.416 nan 8.360 nan 0.000 0.431 294 I N -1.889 118.765 120.570 0.139 0.000 4.235 294 I HA 0.477 4.857 4.170 0.351 0.000 0.228 294 I C -0.433 175.736 176.117 0.088 0.000 1.088 294 I CA -0.969 60.392 61.300 0.102 0.000 1.466 294 I CB 0.736 38.796 38.000 0.099 0.000 1.351 294 I HN 0.360 nan 8.210 nan 0.000 0.433 295 I N 1.287 121.882 120.570 0.042 0.000 2.466 295 I HA 0.306 4.687 4.170 0.351 0.000 0.279 295 I C -0.692 175.381 176.117 -0.073 0.000 1.033 295 I CA -0.329 60.966 61.300 -0.009 0.000 1.123 295 I CB 1.422 39.419 38.000 -0.006 0.000 1.237 295 I HN 0.567 nan 8.210 nan 0.000 0.460 296 T N 4.793 119.224 114.554 -0.205 0.000 2.898 296 T HA 0.226 4.787 4.350 0.351 0.000 0.301 296 T C 0.200 174.748 174.700 -0.254 0.000 1.049 296 T CA -0.008 61.894 62.100 -0.330 0.000 1.095 296 T CB 0.793 69.122 68.868 -0.898 0.000 0.976 296 T HN 0.536 nan 8.240 nan 0.000 0.539 307 N N -0.947 117.770 118.700 0.028 0.000 2.926 307 N HA -0.191 4.760 4.740 0.351 0.000 0.192 307 N C -0.663 174.868 175.510 0.035 0.000 1.055 307 N CA 2.466 55.532 53.050 0.027 0.000 1.022 307 N CB -0.396 38.107 38.487 0.026 0.000 0.974 307 N HN 0.609 nan 8.380 nan 0.000 0.569 308 K N -2.690 117.738 120.400 0.046 0.000 2.228 308 K HA 0.683 5.214 4.320 0.351 0.000 0.261 308 K C -1.194 175.452 176.600 0.077 0.000 0.941 308 K CA -0.729 55.596 56.287 0.063 0.000 0.792 308 K CB 0.718 33.267 32.500 0.081 0.000 1.495 308 K HN -0.074 nan 8.250 nan 0.000 0.387 309 S N 0.814 116.589 115.700 0.125 0.000 2.437 309 S HA 0.528 5.209 4.470 0.351 0.000 0.305 309 S C -0.760 174.034 174.600 0.325 0.000 1.109 309 S CA -0.737 57.562 58.200 0.166 0.000 1.099 309 S CB 1.230 64.446 63.200 0.027 0.000 1.004 309 S HN 0.440 nan 8.310 nan 0.000 0.475 310 V N 0.326 120.401 119.914 0.269 0.000 2.735 310 V HA 0.550 4.881 4.120 0.351 0.000 0.310 310 V C -0.409 175.826 176.094 0.235 0.000 1.061 310 V CA -1.221 61.208 62.300 0.215 0.000 0.913 310 V CB 1.773 33.658 31.823 0.102 0.000 1.005 310 V HN 0.670 nan 8.190 nan 0.000 0.428 311 D N 5.290 125.749 120.400 0.099 0.000 2.376 311 D HA -0.060 4.791 4.640 0.351 0.000 0.278 311 D C 1.348 177.585 176.300 -0.106 0.000 1.384 311 D CA -0.031 53.972 54.000 0.006 0.000 1.033 311 D CB 0.309 41.027 40.800 -0.137 0.000 1.102 311 D HN 0.823 nan 8.370 nan 0.000 0.530 312 W N 4.970 126.261 121.300 -0.014 0.000 2.313 312 W HA -0.255 4.615 4.660 0.350 0.000 0.293 312 W C 1.059 177.437 176.519 -0.235 0.000 1.216 312 W CA 0.386 57.681 57.345 -0.083 0.000 1.223 312 W CB -0.819 28.649 29.460 0.013 0.000 1.138 312 W HN 0.362 nan 8.180 nan 0.000 0.535 313 R N 0.715 120.321 120.500 -1.490 0.000 2.115 313 R HA -0.062 4.489 4.340 0.351 0.000 0.230 313 R C 2.391 177.801 176.300 -1.483 0.000 1.111 313 R CA 1.791 56.824 56.100 -1.778 0.000 0.976 313 R CB -0.590 28.589 30.300 -1.869 0.000 0.870 313 R HN 0.244 nan 8.270 nan 0.000 0.445 314 I N 1.024 121.057 120.570 -0.895 0.000 2.248 314 I HA -0.285 4.096 4.170 0.351 0.000 0.248 314 I C 2.529 178.416 176.117 -0.382 0.000 1.107 314 I CA 1.277 62.292 61.300 -0.475 0.000 1.373 314 I CB -0.263 37.630 38.000 -0.179 0.000 1.055 314 I HN 0.167 nan 8.210 nan 0.000 0.418 315 E N 0.928 120.852 120.200 -0.461 0.000 2.058 315 E HA -0.251 4.310 4.350 0.351 0.000 0.194 315 E C 2.175 178.543 176.600 -0.386 0.000 0.997 315 E CA 1.773 57.941 56.400 -0.388 0.000 0.801 315 E CB -0.212 29.222 29.700 -0.444 0.000 0.746 315 E HN 0.498 nan 8.360 nan 0.000 0.450 316 H N -0.819 118.024 119.070 -0.378 0.000 2.387 316 H HA -0.101 4.665 4.556 0.351 0.000 0.299 316 H C 1.926 177.113 175.328 -0.235 0.000 1.090 316 H CA 1.353 57.172 56.048 -0.380 0.000 1.332 316 H CB -0.568 28.750 29.762 -0.739 0.000 1.386 316 H HN 0.233 nan 8.280 nan 0.000 0.516 317 F N 1.792 121.598 119.950 -0.241 0.000 2.236 317 F HA -0.166 4.572 4.527 0.351 0.000 0.302 317 F C 2.272 178.030 175.800 -0.069 0.000 1.073 317 F CA 1.275 59.179 58.000 -0.160 0.000 1.336 317 F CB -0.294 38.603 39.000 -0.172 0.000 1.040 317 F HN 0.319 nan 8.300 nan 0.000 0.507 318 K N -1.155 119.310 120.400 0.109 0.000 2.367 318 K HA 0.101 4.632 4.320 0.351 0.000 0.194 318 K C 1.089 177.722 176.600 0.056 0.000 1.027 318 K CA 0.605 56.932 56.287 0.068 0.000 1.075 318 K CB -0.075 32.444 32.500 0.032 0.000 0.845 318 K HN 0.059 nan 8.250 nan 0.000 0.529 319 N N 1.323 120.059 118.700 0.060 0.000 2.322 319 N HA -0.093 4.858 4.740 0.351 0.000 0.186 319 N C 1.134 176.693 175.510 0.081 0.000 1.037 319 N CA 1.787 54.874 53.050 0.062 0.000 0.869 319 N CB -0.335 38.192 38.487 0.067 0.000 1.036 319 N HN 0.320 nan 8.380 nan 0.000 0.439 320 T N -0.823 113.797 114.554 0.109 0.000 3.427 320 T HA -0.060 4.501 4.350 0.351 0.000 0.256 320 T C 0.081 174.861 174.700 0.133 0.000 1.172 320 T CA 0.356 62.534 62.100 0.130 0.000 1.018 320 T CB -0.664 68.312 68.868 0.181 0.000 0.981 320 T HN 0.234 nan 8.240 nan 0.000 0.555 321 D N 2.577 123.042 120.400 0.108 0.000 2.737 321 D HA -0.246 4.605 4.640 0.351 0.000 0.238 321 D C -0.105 176.291 176.300 0.159 0.000 1.157 321 D CA 0.864 54.925 54.000 0.101 0.000 0.694 321 D CB -2.139 38.700 40.800 0.064 0.000 1.021 321 D HN 0.636 nan 8.370 nan 0.000 0.420 322 N N 0.269 119.064 118.700 0.159 0.000 2.754 322 N HA -0.247 4.704 4.740 0.351 0.000 0.248 322 N C 1.217 176.887 175.510 0.266 0.000 1.093 322 N CA 1.061 54.194 53.050 0.139 0.000 0.699 322 N CB -1.158 37.392 38.487 0.106 0.000 1.016 322 N HN 0.717 nan 8.380 nan 0.000 0.552 323 L N -3.471 117.941 121.223 0.316 0.000 4.029 323 L HA -0.339 4.212 4.340 0.351 0.000 0.394 323 L C 1.767 178.873 176.870 0.393 0.000 0.733 323 L CA 1.858 56.934 54.840 0.394 0.000 2.638 323 L CB -1.279 41.054 42.059 0.458 0.000 1.037 323 L HN 0.371 nan 8.230 nan 0.000 0.655 324 R N 0.776 121.510 120.500 0.390 0.000 2.276 324 R HA -0.177 4.374 4.340 0.351 0.000 0.243 324 R C 1.473 177.810 176.300 0.062 0.000 1.161 324 R CA 1.541 57.660 56.100 0.032 0.000 1.007 324 R CB 0.078 30.144 30.300 -0.390 0.000 0.867 324 R HN 0.406 nan 8.270 nan 0.000 0.472 325 L N -0.637 120.660 121.223 0.123 0.000 2.766 325 L HA 0.158 4.709 4.340 0.351 0.000 0.242 325 L C 0.357 177.303 176.870 0.127 0.000 1.136 325 L CA 0.096 54.997 54.840 0.101 0.000 0.933 325 L CB -0.449 41.656 42.059 0.077 0.000 1.241 325 L HN 0.156 nan 8.230 nan 0.000 0.522 326 C N 0.916 120.319 119.300 0.171 0.000 2.536 326 C HA 0.255 4.926 4.460 0.351 0.000 0.396 326 C C 1.713 176.756 174.990 0.089 0.000 1.279 326 C CA -0.219 58.878 59.018 0.132 0.000 2.148 326 C CB 0.243 28.105 27.740 0.204 0.000 2.584 326 C HN 0.394 nan 8.230 nan 0.000 0.579 327 N N 0.818 119.524 118.700 0.010 0.000 2.203 327 N HA 0.116 5.066 4.740 0.351 0.000 0.207 327 N C 0.324 175.773 175.510 -0.102 0.000 1.130 327 N CA 0.357 53.442 53.050 0.058 0.000 0.861 327 N CB 0.442 39.017 38.487 0.147 0.000 1.005 327 N HN 0.886 nan 8.380 nan 0.000 0.507 328 T N -2.835 111.447 114.554 -0.453 0.000 3.697 328 T HA 0.227 4.788 4.350 0.351 0.000 0.260 328 T C -2.018 171.893 174.700 -1.315 0.000 0.998 328 T CA -1.071 60.421 62.100 -1.013 0.000 1.128 328 T CB 1.176 69.196 68.868 -1.413 0.000 1.082 328 T HN -0.133 nan 8.240 nan 0.000 0.541 329 P HA -0.189 nan 4.420 nan 0.000 0.219 329 P C 1.392 178.020 177.300 -1.120 0.000 1.144 329 P CA 1.026 63.684 63.100 -0.736 0.000 0.806 329 P CB -0.459 31.128 31.700 -0.187 0.000 0.771 330 F N -0.118 119.167 119.950 -1.109 0.000 2.722 330 F HA 0.070 4.808 4.527 0.352 0.000 0.298 330 F C 1.891 177.404 175.800 -0.478 0.000 1.175 330 F CA 0.044 57.524 58.000 -0.866 0.000 1.462 330 F CB -1.414 37.228 39.000 -0.596 0.000 1.111 330 F HN -0.219 nan 8.300 nan 0.000 0.592 331 R N 0.145 120.020 120.500 -1.041 0.000 2.299 331 R HA 0.099 4.650 4.340 0.351 0.000 0.197 331 R C 0.229 176.367 176.300 -0.270 0.000 0.971 331 R CA 0.583 56.282 56.100 -0.669 0.000 1.030 331 R CB -0.410 29.340 30.300 -0.916 0.000 0.932 331 R HN 0.424 nan 8.270 nan 0.000 0.477 332 F N -0.617 119.351 119.950 0.029 0.000 2.791 332 F HA 0.255 4.993 4.527 0.351 0.000 0.308 332 F C -0.003 175.915 175.800 0.197 0.000 1.138 332 F CA -1.040 57.006 58.000 0.076 0.000 1.294 332 F CB 0.357 39.390 39.000 0.055 0.000 0.975 332 F HN -0.157 nan 8.300 nan 0.000 0.512 333 F N 1.729 121.792 119.950 0.188 0.000 2.391 333 F HA 0.524 5.258 4.527 0.346 0.000 0.359 333 F C 0.116 176.072 175.800 0.261 0.000 1.122 333 F CA -0.413 57.728 58.000 0.236 0.000 1.120 333 F CB 0.729 39.843 39.000 0.190 0.000 1.142 333 F HN -0.237 nan 8.300 nan 0.000 0.483 334 S N 3.386 119.085 115.700 -0.002 0.000 2.502 334 S HA 0.428 5.109 4.470 0.351 0.000 0.304 334 S C 0.679 175.303 174.600 0.041 0.000 1.097 334 S CA -0.414 57.854 58.200 0.114 0.000 1.045 334 S CB 1.656 64.932 63.200 0.127 0.000 1.019 334 S HN 0.864 nan 8.310 nan 0.000 0.481 335 G N 1.289 110.186 108.800 0.161 0.000 3.210 335 G HA2 0.278 4.449 3.960 0.351 0.000 0.220 335 G HA3 0.278 4.449 3.960 0.351 0.000 0.220 335 G C 0.843 175.768 174.900 0.041 0.000 1.200 335 G CA 0.107 45.280 45.100 0.123 0.000 0.834 335 G HN 0.768 nan 8.290 nan 0.000 0.524 336 G N -0.335 108.501 108.800 0.060 0.000 2.939 336 G HA2 0.158 4.328 3.960 0.351 0.000 0.216 336 G HA3 0.158 4.328 3.960 0.351 0.000 0.216 336 G C 0.295 175.248 174.900 0.087 0.000 1.125 336 G CA -0.176 44.956 45.100 0.054 0.000 0.766 336 G HN 0.349 nan 8.290 nan 0.000 0.541 337 N N -0.139 118.638 118.700 0.129 0.000 3.111 337 N HA 0.246 5.197 4.740 0.351 0.000 0.200 337 N C -0.973 174.663 175.510 0.209 0.000 1.464 337 N CA -0.207 53.004 53.050 0.269 0.000 0.758 337 N CB 0.809 39.444 38.487 0.246 0.000 1.548 337 N HN 0.194 nan 8.380 nan 0.000 0.595 338 V N -0.913 119.059 119.914 0.096 0.000 3.181 338 V HA 1.080 5.411 4.120 0.351 0.000 0.308 338 V C -0.761 175.056 176.094 -0.463 0.000 1.214 338 V CA -1.026 61.179 62.300 -0.158 0.000 1.053 338 V CB 1.590 33.303 31.823 -0.182 0.000 1.069 338 V HN 0.445 nan 8.190 nan 0.000 0.441 339 A N 2.007 124.430 122.820 -0.661 0.000 2.488 339 A HA 1.003 5.534 4.320 0.351 0.000 0.295 339 A C -1.165 176.216 177.584 -0.338 0.000 1.045 339 A CA -0.421 51.126 52.037 -0.816 0.000 0.703 339 A CB 1.437 19.466 19.000 -1.618 0.000 1.271 339 A HN 2.207 nan 8.150 nan 0.000 0.400 340 F N -0.322 119.548 119.950 -0.134 0.000 2.741 340 F HA 0.823 5.542 4.527 0.320 0.000 0.313 340 F C -0.047 175.838 175.800 0.141 0.000 1.153 340 F CA -0.990 57.002 58.000 -0.012 0.000 0.931 340 F CB 1.016 40.004 39.000 -0.020 0.000 1.335 340 F HN 0.938 nan 8.300 nan 0.000 0.460 341 A N 1.960 125.136 122.820 0.592 0.000 2.484 341 A HA 0.248 4.779 4.320 0.351 0.000 0.268 341 A C 1.316 179.187 177.584 0.479 0.000 1.114 341 A CA -0.016 52.265 52.037 0.406 0.000 0.780 341 A CB 0.126 19.389 19.000 0.438 0.000 1.061 341 A HN 0.976 nan 8.150 nan 0.000 0.505 342 K N 2.776 123.263 120.400 0.145 0.000 2.218 342 K HA -0.239 4.292 4.320 0.351 0.000 0.205 342 K C 1.952 178.659 176.600 0.179 0.000 1.046 342 K CA 2.066 58.450 56.287 0.162 0.000 0.933 342 K CB -0.120 32.425 32.500 0.075 0.000 0.728 342 K HN 0.856 nan 8.250 nan 0.000 0.454 343 K N -0.692 119.768 120.400 0.100 0.000 2.228 343 K HA -0.204 4.327 4.320 0.351 0.000 0.205 343 K C 1.451 177.966 176.600 -0.142 0.000 1.045 343 K CA 1.822 58.106 56.287 -0.004 0.000 0.931 343 K CB -0.509 31.816 32.500 -0.293 0.000 0.727 343 K HN 0.279 nan 8.250 nan 0.000 0.458 344 W N 1.577 122.868 121.300 -0.014 0.000 2.388 344 W HA 0.065 4.933 4.660 0.347 0.000 0.294 344 W C 2.034 178.379 176.519 -0.290 0.000 1.212 344 W CA 0.315 57.556 57.345 -0.174 0.000 1.271 344 W CB -0.267 29.015 29.460 -0.296 0.000 1.126 344 W HN -0.058 nan 8.180 nan 0.000 0.535 345 L N -1.044 120.052 121.223 -0.213 0.000 2.012 345 L HA -0.253 4.298 4.340 0.351 0.000 0.210 345 L C 2.132 178.618 176.870 -0.640 0.000 1.073 345 L CA 1.442 55.835 54.840 -0.744 0.000 0.748 345 L CB -0.889 40.244 42.059 -1.542 0.000 0.891 345 L HN -0.041 nan 8.230 nan 0.000 0.431 346 F N -0.982 118.828 119.950 -0.234 0.000 2.451 346 F HA -0.111 4.766 4.527 0.582 0.000 0.299 346 F C 2.650 178.421 175.800 -0.048 0.000 1.101 346 F CA 0.974 58.959 58.000 -0.023 0.000 1.436 346 F CB -0.342 38.645 39.000 -0.022 0.000 1.074 346 F HN -0.030 nan 8.300 nan 0.000 0.553 347 R N -0.641 119.875 120.500 0.026 0.000 2.191 347 R HA 0.296 4.846 4.340 0.351 0.000 0.196 347 R C 1.665 177.953 176.300 -0.020 0.000 0.991 347 R CA 0.798 56.874 56.100 -0.040 0.000 1.075 347 R CB 0.099 30.265 30.300 -0.223 0.000 1.040 347 R HN 0.147 nan 8.270 nan 0.000 0.526 348 A N 0.267 123.063 122.820 -0.040 0.000 2.390 348 A HA 0.414 4.945 4.320 0.351 0.000 0.232 348 A C 0.371 177.892 177.584 -0.106 0.000 1.233 348 A CA 0.435 52.404 52.037 -0.113 0.000 0.907 348 A CB 0.511 19.360 19.000 -0.250 0.000 0.967 348 A HN 0.433 nan 8.150 nan 0.000 0.512 349 G N -1.869 106.925 108.800 -0.009 0.000 2.707 349 G HA2 -0.101 4.069 3.960 0.351 0.000 0.686 349 G HA3 -0.101 4.069 3.960 0.351 0.000 0.686 349 G C -0.361 174.645 174.900 0.177 0.000 1.315 349 G CA -0.411 44.779 45.100 0.151 0.000 0.832 349 G HN 0.454 nan 8.290 nan 0.000 0.573 350 W N -0.679 120.695 121.300 0.124 0.000 2.119 350 W HA 0.762 5.309 4.660 -0.189 0.000 0.530 350 W C 0.839 177.392 176.519 0.056 0.000 1.988 350 W CA -0.744 56.671 57.345 0.117 0.000 2.234 350 W CB -0.190 29.314 29.460 0.073 0.000 2.045 350 W HN 0.394 nan 8.180 nan 0.000 0.754 351 F N 1.596 121.658 119.950 0.186 0.000 2.443 351 F HA 0.043 4.773 4.527 0.338 0.000 0.353 351 F C 0.938 176.841 175.800 0.172 0.000 1.101 351 F CA -0.155 57.844 58.000 -0.001 0.000 1.226 351 F CB 0.251 39.150 39.000 -0.168 0.000 1.140 351 F HN 0.001 nan 8.300 nan 0.000 0.557 352 D N 4.024 124.653 120.400 0.380 0.000 2.383 352 D HA -0.017 4.834 4.640 0.351 0.000 0.245 352 D C 0.721 177.274 176.300 0.422 0.000 1.263 352 D CA 0.216 54.453 54.000 0.396 0.000 0.936 352 D CB 0.288 41.384 40.800 0.493 0.000 1.053 352 D HN 0.663 nan 8.370 nan 0.000 0.507 353 E N 2.004 122.376 120.200 0.287 0.000 2.501 353 E HA -0.174 4.387 4.350 0.351 0.000 0.203 353 E C 0.966 177.700 176.600 0.223 0.000 1.072 353 E CA 0.322 56.859 56.400 0.228 0.000 0.885 353 E CB 0.230 30.029 29.700 0.165 0.000 0.813 353 E HN 0.598 nan 8.360 nan 0.000 0.556 354 E N -0.142 120.195 120.200 0.228 0.000 2.512 354 E HA -0.023 4.537 4.350 0.351 0.000 0.195 354 E C -0.320 176.283 176.600 0.005 0.000 1.083 354 E CA -0.164 56.287 56.400 0.086 0.000 0.873 354 E CB 0.241 29.940 29.700 -0.002 0.000 0.897 354 E HN 0.056 nan 8.360 nan 0.000 0.514 355 F N -0.451 119.572 119.950 0.122 0.000 2.380 355 F HA 0.202 4.938 4.527 0.349 0.000 0.319 355 F C 1.255 177.158 175.800 0.172 0.000 1.113 355 F CA -0.328 57.759 58.000 0.145 0.000 1.056 355 F CB 1.319 40.417 39.000 0.163 0.000 1.289 355 F HN -0.172 nan 8.300 nan 0.000 0.515 356 T N -2.937 111.874 114.554 0.428 0.000 2.644 356 T HA 0.174 4.734 4.350 0.351 0.000 0.253 356 T C 1.136 176.086 174.700 0.417 0.000 0.910 356 T CA -0.246 62.079 62.100 0.374 0.000 1.066 356 T CB 0.411 69.407 68.868 0.213 0.000 1.484 356 T HN 0.608 nan 8.240 nan 0.000 0.560 357 H N -0.920 118.098 119.070 -0.086 0.000 2.525 357 H HA -0.024 4.743 4.556 0.352 0.000 0.295 357 H C -0.468 174.737 175.328 -0.205 0.000 1.114 357 H CA 1.355 56.952 56.048 -0.752 0.000 1.206 357 H CB -0.096 29.413 29.762 -0.422 0.000 1.352 357 H HN 0.488 nan 8.280 nan 0.000 0.547 358 W N -1.386 119.981 121.300 0.112 0.000 3.074 358 W HA 0.430 5.304 4.660 0.356 0.000 0.332 358 W C 0.665 177.307 176.519 0.204 0.000 1.253 358 W CA -0.028 57.412 57.345 0.159 0.000 1.180 358 W CB 0.494 29.986 29.460 0.055 0.000 1.445 358 W HN 0.226 nan 8.180 nan 0.000 0.573 359 G N 1.353 110.006 108.800 -0.246 0.000 2.382 359 G HA2 0.172 4.343 3.960 0.351 0.000 1.019 359 G HA3 0.172 4.343 3.960 0.351 0.000 1.019 359 G C 1.163 176.029 174.900 -0.056 0.000 1.421 359 G CA 2.158 47.119 45.100 -0.232 0.000 0.846 359 G HN 2.057 nan 8.290 nan 0.000 0.502 360 G N -1.986 106.795 108.800 -0.031 0.000 2.708 360 G HA2 -0.318 3.853 3.960 0.351 0.000 0.229 360 G HA3 -0.318 3.853 3.960 0.351 0.000 0.229 360 G C 1.210 175.876 174.900 -0.390 0.000 1.236 360 G CA 1.353 46.450 45.100 -0.004 0.000 0.749 360 G HN 1.335 nan 8.290 nan 0.000 0.515 361 E N 1.151 120.863 120.200 -0.812 0.000 2.001 361 E HA 0.053 4.614 4.350 0.351 0.000 0.195 361 E C 1.837 178.430 176.600 -0.012 0.000 1.002 361 E CA 1.387 57.419 56.400 -0.613 0.000 0.819 361 E CB -0.597 28.838 29.700 -0.443 0.000 0.769 361 E HN 0.375 nan 8.360 nan 0.000 0.454 362 D N 0.155 120.625 120.400 0.118 0.000 2.170 362 D HA -0.213 4.638 4.640 0.351 0.000 0.193 362 D C 1.779 178.280 176.300 0.335 0.000 1.004 362 D CA 1.614 55.847 54.000 0.389 0.000 0.860 362 D CB -0.474 40.517 40.800 0.319 0.000 0.931 362 D HN 0.169 nan 8.370 nan 0.000 0.448 363 N N -0.171 118.657 118.700 0.213 0.000 2.300 363 N HA -0.116 4.834 4.740 0.351 0.000 0.179 363 N C 1.447 177.103 175.510 0.244 0.000 1.016 363 N CA 0.748 53.954 53.050 0.260 0.000 0.876 363 N CB 0.222 38.869 38.487 0.267 0.000 0.979 363 N HN 0.068 nan 8.380 nan 0.000 0.432 364 E N -0.714 119.586 120.200 0.167 0.000 2.140 364 E HA -0.106 4.455 4.350 0.351 0.000 0.191 364 E C 1.490 178.162 176.600 0.121 0.000 0.973 364 E CA 0.344 56.862 56.400 0.197 0.000 0.829 364 E CB -0.194 29.666 29.700 0.267 0.000 0.781 364 E HN 0.388 nan 8.360 nan 0.000 0.466 365 F N 1.265 121.125 119.950 -0.151 0.000 2.146 365 F HA 0.026 4.752 4.527 0.332 0.000 0.298 365 F C 2.064 177.548 175.800 -0.526 0.000 1.096 365 F CA 2.000 59.766 58.000 -0.390 0.000 1.275 365 F CB -0.629 37.971 39.000 -0.667 0.000 1.008 365 F HN 0.044 nan 8.300 nan 0.000 0.480 366 G N -0.730 107.747 108.800 -0.538 0.000 2.440 366 G HA2 -0.372 3.799 3.960 0.351 0.000 0.218 366 G HA3 -0.372 3.799 3.960 0.351 0.000 0.218 366 G C 1.593 176.288 174.900 -0.342 0.000 1.154 366 G CA 1.048 45.747 45.100 -0.669 0.000 0.767 366 G HN 0.537 nan 8.290 nan 0.000 0.552 367 Y N 1.717 121.778 120.300 -0.398 0.000 2.070 367 Y HA -0.168 4.595 4.550 0.355 0.000 0.280 367 Y C 2.950 178.618 175.900 -0.386 0.000 1.148 367 Y CA 2.102 59.800 58.100 -0.671 0.000 1.125 367 Y CB -0.543 37.484 38.460 -0.722 0.000 0.975 367 Y HN 0.105 nan 8.280 nan 0.000 0.492 368 R N -0.371 119.681 120.500 -0.746 0.000 2.094 368 R HA -0.224 4.327 4.340 0.351 0.000 0.239 368 R C 2.178 178.119 176.300 -0.599 0.000 1.137 368 R CA 1.802 57.459 56.100 -0.737 0.000 0.943 368 R CB -0.900 29.127 30.300 -0.456 0.000 0.850 368 R HN 0.340 nan 8.270 nan 0.000 0.433 369 L N -0.024 120.810 121.223 -0.649 0.000 1.997 369 L HA -0.271 4.280 4.340 0.351 0.000 0.216 369 L C 2.233 178.899 176.870 -0.339 0.000 1.074 369 L CA 1.826 56.320 54.840 -0.578 0.000 0.763 369 L CB -0.926 40.707 42.059 -0.710 0.000 0.890 369 L HN 0.194 nan 8.230 nan 0.000 0.434 370 Y N -0.052 120.112 120.300 -0.226 0.000 2.114 370 Y HA -0.343 4.417 4.550 0.350 0.000 0.282 370 Y C 2.883 178.634 175.900 -0.250 0.000 1.165 370 Y CA 2.078 60.121 58.100 -0.096 0.000 1.148 370 Y CB -0.134 38.280 38.460 -0.077 0.000 0.972 370 Y HN 0.093 nan 8.280 nan 0.000 0.504 371 R N 0.238 120.476 120.500 -0.436 0.000 2.152 371 R HA -0.128 4.423 4.340 0.351 0.000 0.232 371 R C 0.912 177.057 176.300 -0.258 0.000 1.117 371 R CA 1.317 57.187 56.100 -0.384 0.000 0.981 371 R CB -0.041 29.998 30.300 -0.436 0.000 0.870 371 R HN 0.297 nan 8.270 nan 0.000 0.451 372 E N -0.499 119.584 120.200 -0.195 0.000 2.359 372 E HA 0.079 4.640 4.350 0.351 0.000 0.187 372 E C 0.605 177.268 176.600 0.106 0.000 1.081 372 E CA 0.465 56.865 56.400 -0.000 0.000 0.929 372 E CB 0.514 30.291 29.700 0.128 0.000 1.086 372 E HN 0.547 nan 8.360 nan 0.000 0.462 373 G N 0.754 109.486 108.800 -0.114 0.000 2.148 373 G HA2 -0.317 3.854 3.960 0.351 0.000 0.254 373 G HA3 -0.317 3.854 3.960 0.351 0.000 0.254 373 G C 0.597 175.406 174.900 -0.152 0.000 0.981 373 G CA 0.323 45.361 45.100 -0.104 0.000 0.670 373 G HN 0.444 nan 8.290 nan 0.000 0.528 374 C N -0.161 118.849 119.300 -0.484 0.000 2.595 374 C HA 0.732 5.403 4.460 0.351 0.000 0.384 374 C C 0.582 175.126 174.990 -0.745 0.000 1.289 374 C CA -0.519 57.927 59.018 -0.954 0.000 2.372 374 C CB -0.067 26.651 27.740 -1.703 0.000 2.593 374 C HN 0.353 nan 8.230 nan 0.000 0.639 375 Y N 1.305 121.229 120.300 -0.626 0.000 2.509 375 Y HA 0.609 5.368 4.550 0.349 0.000 0.341 375 Y C -0.253 175.261 175.900 -0.644 0.000 1.038 375 Y CA -0.432 57.471 58.100 -0.328 0.000 1.089 375 Y CB 1.198 39.645 38.460 -0.022 0.000 1.241 375 Y HN 0.533 nan 8.280 nan 0.000 0.468 376 F N 2.035 122.097 119.950 0.186 0.000 2.449 376 F HA 0.569 5.307 4.527 0.352 0.000 0.342 376 F C -0.126 175.680 175.800 0.009 0.000 1.127 376 F CA -0.804 57.255 58.000 0.097 0.000 0.975 376 F CB 1.588 40.682 39.000 0.157 0.000 1.146 376 F HN 0.220 nan 8.300 nan 0.000 0.444 377 R N 2.141 122.587 120.500 -0.091 0.000 2.483 377 R HA 0.458 5.009 4.340 0.351 0.000 0.303 377 R C -0.986 175.160 176.300 -0.257 0.000 0.987 377 R CA -0.531 55.347 56.100 -0.370 0.000 0.881 377 R CB 1.317 31.056 30.300 -0.935 0.000 1.177 377 R HN 0.726 nan 8.270 nan 0.000 0.451 378 S N 2.648 118.167 115.700 -0.302 0.000 2.481 378 S HA 0.293 4.973 4.470 0.351 0.000 0.276 378 S C 0.186 174.544 174.600 -0.404 0.000 1.247 378 S CA -0.721 57.151 58.200 -0.547 0.000 1.053 378 S CB 1.424 63.761 63.200 -1.438 0.000 0.925 378 S HN 0.288 nan 8.310 nan 0.000 0.491 379 V N 3.303 123.037 119.914 -0.300 0.000 2.617 379 V HA 0.346 4.677 4.120 0.351 0.000 0.298 379 V C 1.417 177.362 176.094 -0.248 0.000 1.048 379 V CA -0.589 61.569 62.300 -0.238 0.000 0.964 379 V CB 1.601 33.298 31.823 -0.211 0.000 1.004 379 V HN 1.027 nan 8.190 nan 0.000 0.466 380 E N 2.924 123.006 120.200 -0.196 0.000 2.099 380 E HA -0.004 4.557 4.350 0.351 0.000 0.191 380 E C 2.003 178.508 176.600 -0.157 0.000 0.962 380 E CA 1.117 57.426 56.400 -0.151 0.000 0.826 380 E CB 0.009 29.649 29.700 -0.100 0.000 0.788 380 E HN 0.909 nan 8.360 nan 0.000 0.461 381 G N 0.692 109.387 108.800 -0.175 0.000 2.615 381 G HA2 -0.138 4.032 3.960 0.351 0.000 0.213 381 G HA3 -0.138 4.032 3.960 0.351 0.000 0.213 381 G C 1.104 175.859 174.900 -0.242 0.000 1.135 381 G CA 0.721 45.715 45.100 -0.176 0.000 0.772 381 G HN 0.295 nan 8.290 nan 0.000 0.542 382 A N -0.148 122.468 122.820 -0.340 0.000 2.532 382 A HA 0.607 5.137 4.320 0.351 0.000 0.273 382 A C 0.814 178.400 177.584 0.003 0.000 1.342 382 A CA -0.431 51.351 52.037 -0.426 0.000 0.929 382 A CB -0.265 18.116 19.000 -1.032 0.000 1.051 382 A HN 0.318 nan 8.150 nan 0.000 0.521 383 M N 1.005 120.559 119.600 -0.076 0.000 2.250 383 M HA 0.385 5.076 4.480 0.351 0.000 0.337 383 M C -0.112 176.016 176.300 -0.287 0.000 1.161 383 M CA 0.237 55.424 55.300 -0.188 0.000 1.088 383 M CB 0.120 32.568 32.600 -0.255 0.000 1.639 383 M HN 0.492 nan 8.290 nan 0.000 0.447 384 A N 4.548 127.106 122.820 -0.437 0.000 2.486 384 A HA 0.669 5.199 4.320 0.351 0.000 0.300 384 A C -2.013 175.208 177.584 -0.605 0.000 1.048 384 A CA -0.630 51.103 52.037 -0.507 0.000 0.696 384 A CB 0.838 19.657 19.000 -0.301 0.000 1.278 384 A HN 0.739 nan 8.150 nan 0.000 0.405 385 Y N 2.009 122.227 120.300 -0.136 0.000 2.341 385 Y HA 0.314 5.076 4.550 0.352 0.000 0.340 385 Y C 0.721 176.590 175.900 -0.052 0.000 0.997 385 Y CA -0.199 57.848 58.100 -0.088 0.000 1.149 385 Y CB 0.835 39.248 38.460 -0.077 0.000 1.171 385 Y HN 0.711 nan 8.280 nan 0.000 0.494 386 H N 4.938 124.019 119.070 0.018 0.000 2.864 386 H HA 0.179 4.946 4.556 0.352 0.000 0.281 386 H C -0.634 174.791 175.328 0.162 0.000 1.093 386 H CA -0.200 55.894 56.048 0.077 0.000 1.453 386 H CB 0.323 30.148 29.762 0.104 0.000 1.462 386 H HN 0.787 nan 8.280 nan 0.000 0.480 387 Q N 3.373 123.255 119.800 0.137 0.000 2.314 387 Q HA 0.084 4.635 4.340 0.351 0.000 0.258 387 Q C 0.062 176.230 176.000 0.280 0.000 0.954 387 Q CA -0.421 55.483 55.803 0.168 0.000 0.890 387 Q CB 1.193 29.951 28.738 0.032 0.000 1.210 387 Q HN 0.559 nan 8.270 nan 0.000 0.410 388 E N 3.547 123.907 120.200 0.267 0.000 2.290 388 E HA 0.150 4.711 4.350 0.351 0.000 0.277 388 E C -2.159 174.544 176.600 0.172 0.000 1.035 388 E CA -1.631 54.913 56.400 0.241 0.000 0.873 388 E CB 0.479 30.285 29.700 0.176 0.000 1.029 388 E HN 0.382 nan 8.360 nan 0.000 0.419 389 P HA 0.084 nan 4.420 nan 0.000 0.269 389 P C -2.283 175.078 177.300 0.102 0.000 1.217 389 P CA -0.623 62.558 63.100 0.135 0.000 0.783 389 P CB -0.059 31.734 31.700 0.155 0.000 0.898 390 P HA 0.229 nan 4.420 nan 0.000 0.321 390 P C -0.100 177.237 177.300 0.061 0.000 1.304 390 P CA -0.567 62.573 63.100 0.067 0.000 0.759 390 P CB 0.310 32.045 31.700 0.057 0.000 1.385 391 G N 0.417 109.246 108.800 0.048 0.000 2.635 391 G HA2 0.023 4.194 3.960 0.351 0.000 0.289 391 G HA3 0.023 4.194 3.960 0.351 0.000 0.289 391 G C 0.135 175.063 174.900 0.048 0.000 0.705 391 G CA 0.214 45.340 45.100 0.042 0.000 2.034 391 G HN 0.328 nan 8.290 nan 0.000 0.519 409 L N 0.534 121.844 121.223 0.146 0.000 2.121 409 L HA 0.098 4.648 4.340 0.351 0.000 0.200 409 L C 2.247 179.195 176.870 0.130 0.000 1.077 409 L CA 1.932 56.890 54.840 0.197 0.000 0.766 409 L CB -0.736 41.437 42.059 0.190 0.000 0.931 409 L HN 0.217 nan 8.230 nan 0.000 0.452 410 Q N -0.244 119.611 119.800 0.093 0.000 2.191 410 Q HA -0.358 4.193 4.340 0.351 0.000 0.219 410 Q C 2.265 178.296 176.000 0.050 0.000 1.044 410 Q CA 2.393 58.238 55.803 0.071 0.000 0.933 410 Q CB -0.332 28.426 28.738 0.034 0.000 1.049 410 Q HN 0.377 nan 8.270 nan 0.000 0.424 411 Q N -0.195 119.629 119.800 0.041 0.000 2.062 411 Q HA -0.182 4.369 4.340 0.351 0.000 0.209 411 Q C 1.203 177.229 176.000 0.043 0.000 0.996 411 Q CA 2.225 58.048 55.803 0.032 0.000 0.859 411 Q CB -0.129 28.618 28.738 0.015 0.000 0.920 411 Q HN 0.564 nan 8.270 nan 0.000 0.415 412 K N -0.262 120.176 120.400 0.064 0.000 2.437 412 K HA 0.238 4.769 4.320 0.351 0.000 0.205 412 K C -0.459 176.133 176.600 -0.014 0.000 1.026 412 K CA -0.038 56.295 56.287 0.077 0.000 1.153 412 K CB 1.242 33.831 32.500 0.148 0.000 0.863 412 K HN -0.127 nan 8.250 nan 0.000 0.502 413 V N 2.651 122.501 119.914 -0.108 0.000 2.501 413 V HA 0.128 4.459 4.120 0.351 0.000 0.277 413 V C -2.129 173.759 176.094 -0.343 0.000 1.004 413 V CA -1.060 60.966 62.300 -0.456 0.000 0.862 413 V CB 1.731 33.371 31.823 -0.306 0.000 1.035 413 V HN 0.011 nan 8.190 nan 0.000 0.448 414 P HA -0.045 nan 4.420 nan 0.000 0.238 414 P C 1.363 178.613 177.300 -0.084 0.000 1.183 414 P CA 0.407 63.440 63.100 -0.111 0.000 0.813 414 P CB 0.576 32.301 31.700 0.043 0.000 0.944 415 Y N 0.283 120.330 120.300 -0.421 0.000 2.151 415 Y HA -0.212 4.549 4.550 0.352 0.000 0.284 415 Y C 1.870 177.713 175.900 -0.094 0.000 1.166 415 Y CA 1.668 59.514 58.100 -0.423 0.000 1.163 415 Y CB -0.852 37.078 38.460 -0.882 0.000 0.974 415 Y HN -0.143 nan 8.280 nan 0.000 0.511 416 F N -1.785 117.823 119.950 -0.570 0.000 2.534 416 F HA 0.069 4.807 4.527 0.351 0.000 0.274 416 F C 1.898 177.503 175.800 -0.325 0.000 0.917 416 F CA 0.430 58.069 58.000 -0.601 0.000 1.145 416 F CB -1.199 37.385 39.000 -0.693 0.000 1.145 416 F HN -0.111 nan 8.300 nan 0.000 0.746 417 Y N 0.958 121.166 120.300 -0.153 0.000 2.207 417 Y HA -0.096 4.664 4.550 0.350 0.000 0.287 417 Y C 1.270 177.060 175.900 -0.182 0.000 1.156 417 Y CA 0.799 58.754 58.100 -0.242 0.000 1.182 417 Y CB -1.590 36.818 38.460 -0.086 0.000 0.979 417 Y HN -0.105 nan 8.280 nan 0.000 0.521 418 R N 2.603 123.107 120.500 0.007 0.000 2.481 418 R HA -0.067 4.484 4.340 0.351 0.000 0.291 418 R C -1.016 175.267 176.300 -0.028 0.000 0.934 418 R CA 0.328 56.427 56.100 -0.002 0.000 1.116 418 R CB -0.225 30.077 30.300 0.004 0.000 0.895 418 R HN 0.150 nan 8.270 nan 0.000 0.410 419 K N 3.905 124.294 120.400 -0.018 0.000 2.316 419 K HA 0.152 4.683 4.320 0.351 0.000 0.267 419 K C -0.584 176.009 176.600 -0.012 0.000 1.025 419 K CA -0.548 55.722 56.287 -0.027 0.000 0.896 419 K CB 1.447 33.928 32.500 -0.031 0.000 1.124 419 K HN 0.393 nan 8.250 nan 0.000 0.451 420 K N 4.273 124.667 120.400 -0.010 0.000 2.036 420 K HA -0.108 4.423 4.320 0.351 0.000 0.246 420 K C -0.491 176.111 176.600 0.003 0.000 1.148 420 K CA 0.290 56.577 56.287 0.001 0.000 1.200 420 K CB -0.069 32.431 32.500 0.001 0.000 0.964 420 K HN 0.619 nan 8.250 nan 0.000 0.364 421 E N 3.849 124.051 120.200 0.004 0.000 2.216 421 E HA 0.156 4.717 4.350 0.351 0.000 0.279 421 E C -0.750 175.854 176.600 0.007 0.000 0.997 421 E CA -0.948 55.454 56.400 0.003 0.000 0.817 421 E CB 1.201 30.900 29.700 -0.002 0.000 1.096 421 E HN 0.210 nan 8.360 nan 0.000 0.393 422 K N 1.883 122.289 120.400 0.010 0.000 2.370 422 K HA -0.109 4.422 4.320 0.351 0.000 0.263 422 K C 1.006 177.606 176.600 -0.001 0.000 0.983 422 K CA 0.127 56.424 56.287 0.017 0.000 0.873 422 K CB 0.229 32.741 32.500 0.020 0.000 0.979 422 K HN 0.497 nan 8.250 nan 0.000 0.529 423 I N 0.975 121.542 120.570 -0.006 0.000 2.162 423 I HA -0.226 4.155 4.170 0.351 0.000 0.238 423 I C 2.216 178.304 176.117 -0.048 0.000 1.076 423 I CA 1.179 62.442 61.300 -0.061 0.000 1.353 423 I CB -0.878 37.046 38.000 -0.127 0.000 1.063 423 I HN 0.696 nan 8.210 nan 0.000 0.408 424 E N 1.767 121.954 120.200 -0.022 0.000 2.333 424 E HA -0.224 4.337 4.350 0.351 0.000 0.200 424 E C 1.403 177.994 176.600 -0.015 0.000 1.010 424 E CA 1.887 58.277 56.400 -0.016 0.000 0.841 424 E CB -0.561 29.139 29.700 -0.000 0.000 0.757 424 E HN 0.668 nan 8.360 nan 0.000 0.508 425 S N -1.179 114.512 115.700 -0.014 0.000 2.780 425 S HA 0.601 5.282 4.470 0.351 0.000 0.248 425 S C 0.897 175.489 174.600 -0.014 0.000 1.036 425 S CA -0.161 58.031 58.200 -0.012 0.000 1.061 425 S CB 0.483 63.679 63.200 -0.007 0.000 1.037 425 S HN 0.458 nan 8.310 nan 0.000 0.584 426 A N 1.667 124.474 122.820 -0.022 0.000 2.250 426 A HA 0.672 5.202 4.320 0.351 0.000 0.284 426 A C 0.641 178.214 177.584 -0.017 0.000 1.269 426 A CA 0.586 52.610 52.037 -0.022 0.000 0.834 426 A CB -0.397 18.579 19.000 -0.040 0.000 1.146 426 A HN 0.724 nan 8.150 nan 0.000 0.509 427 T N -2.756 111.790 114.554 -0.013 0.000 2.669 427 T HA 0.373 4.934 4.350 0.351 0.000 0.305 427 T C -1.873 172.829 174.700 0.004 0.000 1.838 427 T CA -0.663 61.434 62.100 -0.005 0.000 0.978 427 T CB -0.011 68.856 68.868 -0.002 0.000 1.851 427 T HN 0.632 nan 8.240 nan 0.000 0.503 428 L N 3.276 124.505 121.223 0.011 0.000 2.259 428 L HA 0.471 5.022 4.340 0.351 0.000 0.288 428 L C 0.127 177.012 176.870 0.024 0.000 1.051 428 L CA -0.949 53.904 54.840 0.023 0.000 0.824 428 L CB 0.907 42.984 42.059 0.030 0.000 1.206 428 L HN 0.450 nan 8.230 nan 0.000 0.429 429 K N 2.641 123.057 120.400 0.028 0.000 2.326 429 K HA 0.087 4.618 4.320 0.351 0.000 0.275 429 K C 0.739 177.361 176.600 0.036 0.000 1.018 429 K CA -0.249 56.056 56.287 0.030 0.000 0.962 429 K CB 1.258 33.778 32.500 0.033 0.000 0.953 429 K HN 0.382 nan 8.250 nan 0.000 0.475 430 R N 1.542 122.063 120.500 0.035 0.000 2.127 430 R HA -0.088 4.463 4.340 0.351 0.000 0.228 430 R C 0.193 176.525 176.300 0.053 0.000 1.125 430 R CA 1.380 57.504 56.100 0.040 0.000 0.904 430 R CB -0.458 29.864 30.300 0.037 0.000 0.831 430 R HN 0.387 nan 8.270 nan 0.000 0.431 431 V N 3.977 123.927 119.914 0.061 0.000 2.408 431 V HA 0.239 4.569 4.120 0.351 0.000 0.267 431 V C -1.984 174.154 176.094 0.073 0.000 1.047 431 V CA -1.682 60.665 62.300 0.079 0.000 0.937 431 V CB 1.037 32.922 31.823 0.104 0.000 0.999 431 V HN 0.434 nan 8.190 nan 0.000 0.472 432 P HA 0.071 nan 4.420 nan 0.000 0.272 432 P C 0.535 177.901 177.300 0.111 0.000 1.240 432 P CA -0.239 62.907 63.100 0.078 0.000 0.791 432 P CB 1.409 33.148 31.700 0.065 0.000 0.978 433 L N 1.083 122.378 121.223 0.121 0.000 2.298 433 L HA 0.165 4.716 4.340 0.351 0.000 0.209 433 L C 0.005 177.018 176.870 0.240 0.000 1.084 433 L CA 1.191 56.150 54.840 0.198 0.000 0.816 433 L CB 0.294 42.456 42.059 0.172 0.000 0.967 433 L HN 0.045 nan 8.230 nan 0.000 0.460 434 V N -0.212 119.786 119.914 0.140 0.000 2.823 434 V HA 0.515 4.846 4.120 0.351 0.000 0.312 434 V C -0.575 175.548 176.094 0.048 0.000 1.072 434 V CA -0.552 61.809 62.300 0.102 0.000 0.937 434 V CB 2.030 33.898 31.823 0.075 0.000 1.013 434 V HN 0.174 nan 8.190 nan 0.000 0.430 435 S N 4.199 119.905 115.700 0.011 0.000 2.547 435 S HA 0.685 5.366 4.470 0.351 0.000 0.281 435 S C -1.103 173.502 174.600 0.008 0.000 1.118 435 S CA -0.458 57.742 58.200 0.001 0.000 0.947 435 S CB 1.531 64.720 63.200 -0.018 0.000 1.053 435 S HN 0.459 nan 8.310 nan 0.000 0.482 436 I N 4.040 124.626 120.570 0.027 0.000 2.389 436 I HA 0.318 4.699 4.170 0.351 0.000 0.288 436 I C -0.688 175.466 176.117 0.062 0.000 0.999 436 I CA -0.835 60.488 61.300 0.039 0.000 1.129 436 I CB 0.878 38.888 38.000 0.016 0.000 1.288 436 I HN 0.754 nan 8.210 nan 0.000 0.444 437 Y N 6.370 126.664 120.300 -0.009 0.000 2.342 437 Y HA 0.797 5.559 4.550 0.353 0.000 0.334 437 Y C -0.693 175.223 175.900 0.028 0.000 1.067 437 Y CA -1.291 56.803 58.100 -0.010 0.000 1.128 437 Y CB 1.169 39.605 38.460 -0.041 0.000 1.200 437 Y HN 0.375 nan 8.280 nan 0.000 0.464 438 I N 6.884 127.443 120.570 -0.017 0.000 2.466 438 I HA 0.293 4.674 4.170 0.351 0.000 0.279 438 I C -2.557 173.590 176.117 0.051 0.000 1.033 438 I CA -2.357 58.911 61.300 -0.053 0.000 1.123 438 I CB 2.045 40.034 38.000 -0.019 0.000 1.237 438 I HN 0.486 nan 8.210 nan 0.000 0.460 439 P HA 0.186 nan 4.420 nan 0.000 0.276 439 P C -0.691 176.673 177.300 0.106 0.000 1.253 439 P CA -0.057 63.101 63.100 0.097 0.000 0.766 439 P CB 1.386 33.135 31.700 0.082 0.000 0.845 440 A N 4.456 127.349 122.820 0.122 0.000 2.304 440 A HA 0.557 5.088 4.320 0.351 0.000 0.323 440 A C -1.435 176.284 177.584 0.224 0.000 1.195 440 A CA -0.658 51.463 52.037 0.140 0.000 0.826 440 A CB 0.795 19.852 19.000 0.095 0.000 1.184 440 A HN 0.623 nan 8.150 nan 0.000 0.496 441 Y N 3.250 123.585 120.300 0.059 0.000 2.379 441 Y HA 0.238 4.999 4.550 0.351 0.000 0.342 441 Y C -0.172 175.763 175.900 0.059 0.000 1.126 441 Y CA -0.512 57.621 58.100 0.056 0.000 1.310 441 Y CB 0.711 39.206 38.460 0.059 0.000 1.115 441 Y HN 0.846 nan 8.280 nan 0.000 0.505 442 N N 3.439 121.962 118.700 -0.296 0.000 2.699 442 N HA -0.185 4.765 4.740 0.351 0.000 0.257 442 N C -0.083 175.378 175.510 -0.081 0.000 1.077 442 N CA 1.338 54.224 53.050 -0.273 0.000 0.702 442 N CB -1.552 36.662 38.487 -0.454 0.000 0.886 442 N HN 0.706 nan 8.380 nan 0.000 0.549 443 C N -3.039 116.241 119.300 -0.033 0.000 3.115 443 C HA 0.387 5.058 4.460 0.351 0.000 0.277 443 C C 2.259 177.216 174.990 -0.055 0.000 1.460 443 C CA 0.142 59.179 59.018 0.032 0.000 1.789 443 C CB -0.124 27.671 27.740 0.092 0.000 2.674 443 C HN 0.564 nan 8.230 nan 0.000 0.582 444 S N 3.025 118.658 115.700 -0.111 0.000 2.399 444 S HA -0.308 4.372 4.470 0.351 0.000 0.235 444 S C 2.018 176.489 174.600 -0.214 0.000 1.063 444 S CA 2.544 60.655 58.200 -0.148 0.000 1.070 444 S CB -0.272 62.844 63.200 -0.139 0.000 0.904 444 S HN 0.903 nan 8.310 nan 0.000 0.456 445 K N -1.030 119.159 120.400 -0.353 0.000 2.432 445 K HA -0.006 4.525 4.320 0.351 0.000 0.196 445 K C 0.539 176.744 176.600 -0.658 0.000 1.038 445 K CA 1.035 56.977 56.287 -0.576 0.000 0.986 445 K CB -0.248 31.750 32.500 -0.838 0.000 0.782 445 K HN 0.632 nan 8.250 nan 0.000 0.485 446 Y N -0.609 119.668 120.300 -0.039 0.000 2.717 446 Y HA 0.238 4.999 4.550 0.351 0.000 0.250 446 Y C 1.253 177.133 175.900 -0.033 0.000 1.149 446 Y CA -0.844 57.236 58.100 -0.034 0.000 1.211 446 Y CB 0.474 38.922 38.460 -0.020 0.000 1.289 446 Y HN -0.065 nan 8.280 nan 0.000 0.552 447 I N -0.311 120.283 120.570 0.039 0.000 2.400 447 I HA -0.111 4.270 4.170 0.351 0.000 0.248 447 I C 1.905 178.026 176.117 0.005 0.000 1.109 447 I CA 1.226 62.536 61.300 0.016 0.000 1.425 447 I CB -0.254 37.730 38.000 -0.027 0.000 1.094 447 I HN 0.017 nan 8.210 nan 0.000 0.425 448 V N 1.957 121.838 119.914 -0.055 0.000 2.407 448 V HA -0.258 4.072 4.120 0.351 0.000 0.248 448 V C 2.720 178.846 176.094 0.054 0.000 1.055 448 V CA 2.103 64.392 62.300 -0.019 0.000 1.049 448 V CB -1.159 30.567 31.823 -0.162 0.000 0.662 448 V HN 0.461 nan 8.190 nan 0.000 0.455 449 R N -0.521 119.993 120.500 0.024 0.000 2.120 449 R HA -0.190 4.360 4.340 0.351 0.000 0.234 449 R C 2.286 178.605 176.300 0.032 0.000 1.123 449 R CA 2.085 58.189 56.100 0.006 0.000 0.975 449 R CB -0.784 29.507 30.300 -0.015 0.000 0.866 449 R HN 0.575 nan 8.270 nan 0.000 0.446 450 C N -0.267 119.067 119.300 0.057 0.000 3.083 450 C HA -0.030 4.641 4.460 0.351 0.000 0.291 450 C C 2.753 177.754 174.990 0.018 0.000 1.277 450 C CA 0.831 59.882 59.018 0.055 0.000 1.748 450 C CB -0.888 26.879 27.740 0.044 0.000 2.149 450 C HN 0.395 nan 8.230 nan 0.000 0.480 451 V N 1.852 121.753 119.914 -0.022 0.000 2.277 451 V HA -0.299 4.032 4.120 0.351 0.000 0.255 451 V C 2.567 178.609 176.094 -0.087 0.000 1.074 451 V CA 2.516 64.739 62.300 -0.127 0.000 1.058 451 V CB -0.923 30.705 31.823 -0.325 0.000 0.656 451 V HN 0.590 nan 8.190 nan 0.000 0.449 452 E N -0.065 120.156 120.200 0.035 0.000 2.033 452 E HA -0.266 4.295 4.350 0.351 0.000 0.199 452 E C 2.520 179.149 176.600 0.047 0.000 1.011 452 E CA 1.877 58.328 56.400 0.086 0.000 0.815 452 E CB -0.761 29.018 29.700 0.132 0.000 0.755 452 E HN 0.597 nan 8.360 nan 0.000 0.451 453 S N 0.283 116.007 115.700 0.041 0.000 2.407 453 S HA -0.242 4.439 4.470 0.351 0.000 0.235 453 S C 1.998 176.618 174.600 0.033 0.000 1.036 453 S CA 1.594 59.821 58.200 0.045 0.000 1.013 453 S CB -0.141 63.105 63.200 0.077 0.000 0.820 453 S HN 0.355 nan 8.310 nan 0.000 0.476 454 A N 1.196 124.020 122.820 0.006 0.000 1.902 454 A HA 0.049 4.580 4.320 0.351 0.000 0.217 454 A C 2.209 179.800 177.584 0.013 0.000 1.181 454 A CA 1.512 53.548 52.037 -0.003 0.000 0.623 454 A CB -0.741 18.237 19.000 -0.036 0.000 0.818 454 A HN 0.588 nan 8.150 nan 0.000 0.443 455 L N -0.261 120.962 121.223 0.001 0.000 2.056 455 L HA -0.107 4.444 4.340 0.351 0.000 0.207 455 L C 0.431 177.366 176.870 0.108 0.000 1.078 455 L CA 0.683 55.542 54.840 0.033 0.000 0.749 455 L CB -0.611 41.465 42.059 0.029 0.000 0.901 455 L HN 0.287 nan 8.230 nan 0.000 0.433 456 N N 1.459 120.230 118.700 0.118 0.000 3.254 456 N HA 0.084 5.035 4.740 0.351 0.000 0.308 456 N C -0.278 175.312 175.510 0.134 0.000 1.281 456 N CA 0.306 53.456 53.050 0.167 0.000 1.212 456 N CB 0.299 38.858 38.487 0.120 0.000 1.478 456 N HN 0.298 nan 8.380 nan 0.000 0.548 457 Q N -0.585 119.317 119.800 0.170 0.000 2.416 457 Q HA 0.267 4.818 4.340 0.351 0.000 0.279 457 Q C 1.238 177.343 176.000 0.174 0.000 1.101 457 Q CA -0.399 55.474 55.803 0.117 0.000 0.830 457 Q CB 1.414 30.205 28.738 0.088 0.000 1.402 457 Q HN 0.387 nan 8.270 nan 0.000 0.445 458 T N -2.503 112.105 114.554 0.091 0.000 3.139 458 T HA 0.058 4.619 4.350 0.351 0.000 0.267 458 T C 0.932 175.730 174.700 0.164 0.000 1.164 458 T CA 0.596 62.758 62.100 0.103 0.000 1.075 458 T CB 0.069 68.957 68.868 0.034 0.000 0.904 458 T HN 0.268 nan 8.240 nan 0.000 0.540 459 I N 1.384 122.040 120.570 0.143 0.000 2.412 459 I HA 0.288 4.669 4.170 0.351 0.000 0.296 459 I C 1.331 177.510 176.117 0.103 0.000 0.987 459 I CA -0.426 60.937 61.300 0.105 0.000 1.180 459 I CB 1.580 39.621 38.000 0.068 0.000 1.340 459 I HN 0.134 nan 8.210 nan 0.000 0.455 460 T N 2.237 116.830 114.554 0.066 0.000 3.033 460 T HA -0.009 4.551 4.350 0.351 0.000 0.248 460 T C 0.645 175.360 174.700 0.026 0.000 1.040 460 T CA 0.545 62.658 62.100 0.023 0.000 1.133 460 T CB -0.016 68.840 68.868 -0.019 0.000 0.895 460 T HN 0.480 nan 8.240 nan 0.000 0.465 461 D N 2.009 122.430 120.400 0.035 0.000 2.619 461 D HA 0.315 5.166 4.640 0.351 0.000 0.224 461 D C -0.623 175.707 176.300 0.050 0.000 1.133 461 D CA -0.056 53.968 54.000 0.041 0.000 1.017 461 D CB -0.644 40.183 40.800 0.045 0.000 1.077 461 D HN 0.428 nan 8.370 nan 0.000 0.503 462 L N 1.381 122.629 121.223 0.042 0.000 2.465 462 L HA 0.538 5.089 4.340 0.351 0.000 0.257 462 L C -1.257 175.624 176.870 0.018 0.000 0.988 462 L CA -0.635 54.227 54.840 0.038 0.000 0.827 462 L CB 2.052 44.135 42.059 0.040 0.000 1.397 462 L HN 0.158 nan 8.230 nan 0.000 0.410 463 E N 2.256 122.460 120.200 0.008 0.000 2.410 463 E HA 0.730 5.291 4.350 0.351 0.000 0.269 463 E C -1.931 174.647 176.600 -0.036 0.000 0.937 463 E CA -0.924 55.466 56.400 -0.018 0.000 0.793 463 E CB 2.589 32.291 29.700 0.003 0.000 1.314 463 E HN 0.345 nan 8.360 nan 0.000 0.447 464 V N 0.732 120.603 119.914 -0.072 0.000 2.577 464 V HA 0.345 4.676 4.120 0.351 0.000 0.303 464 V C -0.946 175.125 176.094 -0.038 0.000 1.042 464 V CA -0.841 61.413 62.300 -0.077 0.000 0.872 464 V CB 1.412 33.131 31.823 -0.172 0.000 0.998 464 V HN 0.845 nan 8.190 nan 0.000 0.423 465 C N 6.651 125.958 119.300 0.012 0.000 2.294 465 C HA 0.670 5.341 4.460 0.351 0.000 0.319 465 C C -0.018 175.021 174.990 0.082 0.000 1.164 465 C CA -0.671 58.377 59.018 0.049 0.000 1.497 465 C CB -0.509 27.258 27.740 0.045 0.000 2.061 465 C HN 0.676 nan 8.230 nan 0.000 0.438 466 I N 2.224 122.855 120.570 0.103 0.000 2.428 466 I HA 0.415 4.796 4.170 0.351 0.000 0.296 466 I C 0.336 176.549 176.117 0.160 0.000 0.985 466 I CA -0.110 61.260 61.300 0.117 0.000 1.260 466 I CB 0.970 39.024 38.000 0.091 0.000 1.389 466 I HN 0.623 nan 8.210 nan 0.000 0.484 467 C N 5.180 124.560 119.300 0.133 0.000 2.321 467 C HA 0.503 5.173 4.460 0.351 0.000 0.323 467 C C -0.391 174.676 174.990 0.128 0.000 1.191 467 C CA -0.702 58.393 59.018 0.128 0.000 1.455 467 C CB -0.480 27.314 27.740 0.090 0.000 2.083 467 C HN 0.897 nan 8.230 nan 0.000 0.442 468 D N 3.479 123.968 120.400 0.148 0.000 2.338 468 D HA 0.124 4.975 4.640 0.351 0.000 0.255 468 D C 0.042 176.433 176.300 0.152 0.000 1.237 468 D CA 0.353 54.439 54.000 0.144 0.000 0.883 468 D CB 0.771 41.652 40.800 0.134 0.000 1.087 468 D HN 0.608 nan 8.370 nan 0.000 0.485 469 D N 3.396 123.908 120.400 0.186 0.000 2.688 469 D HA 0.274 5.124 4.640 0.351 0.000 0.228 469 D C 1.043 177.495 176.300 0.253 0.000 1.116 469 D CA 0.258 54.357 54.000 0.165 0.000 1.023 469 D CB -0.763 40.090 40.800 0.089 0.000 1.100 469 D HN 0.667 nan 8.370 nan 0.000 0.487 470 G N 2.225 111.142 108.800 0.195 0.000 2.371 470 G HA2 -0.284 3.887 3.960 0.351 0.000 0.299 470 G HA3 -0.284 3.887 3.960 0.351 0.000 0.299 470 G C 0.473 175.536 174.900 0.271 0.000 1.014 470 G CA 0.422 45.639 45.100 0.196 0.000 1.097 470 G HN 0.453 nan 8.290 nan 0.000 0.512 471 S N -0.714 115.091 115.700 0.175 0.000 2.563 471 S HA 0.355 5.036 4.470 0.351 0.000 0.284 471 S C 2.001 176.565 174.600 -0.059 0.000 1.331 471 S CA 0.518 58.691 58.200 -0.045 0.000 1.047 471 S CB 1.168 64.319 63.200 -0.082 0.000 0.859 471 S HN 1.111 nan 8.310 nan 0.000 0.514 472 T N 0.330 114.778 114.554 -0.176 0.000 2.814 472 T HA -0.062 4.499 4.350 0.351 0.000 0.254 472 T C 0.728 175.379 174.700 -0.082 0.000 1.037 472 T CA 0.830 62.878 62.100 -0.087 0.000 1.143 472 T CB -0.533 68.276 68.868 -0.097 0.000 0.866 472 T HN 0.725 nan 8.240 nan 0.000 0.431 473 D N 2.483 122.808 120.400 -0.125 0.000 2.274 473 D HA -0.020 4.831 4.640 0.351 0.000 0.256 473 D C 0.789 177.046 176.300 -0.072 0.000 1.274 473 D CA 0.130 54.073 54.000 -0.094 0.000 0.998 473 D CB 0.031 40.763 40.800 -0.113 0.000 1.139 473 D HN 0.466 nan 8.370 nan 0.000 0.540 474 D N -2.103 118.257 120.400 -0.067 0.000 2.349 474 D HA -0.072 4.779 4.640 0.351 0.000 0.224 474 D C 1.150 177.411 176.300 -0.064 0.000 1.029 474 D CA 0.131 54.099 54.000 -0.053 0.000 0.879 474 D CB -0.622 40.149 40.800 -0.048 0.000 0.906 474 D HN 0.324 nan 8.370 nan 0.000 0.528 475 T N 1.541 116.047 114.554 -0.079 0.000 2.634 475 T HA -0.303 4.258 4.350 0.351 0.000 0.256 475 T C 1.712 176.360 174.700 -0.087 0.000 1.131 475 T CA 2.066 64.116 62.100 -0.083 0.000 1.149 475 T CB -0.540 68.289 68.868 -0.065 0.000 0.849 475 T HN 0.196 nan 8.240 nan 0.000 0.457 476 L N 1.312 122.503 121.223 -0.053 0.000 1.990 476 L HA -0.160 4.391 4.340 0.351 0.000 0.213 476 L C 2.534 179.351 176.870 -0.090 0.000 1.072 476 L CA 1.886 56.695 54.840 -0.051 0.000 0.755 476 L CB -0.565 41.514 42.059 0.033 0.000 0.889 476 L HN 0.205 nan 8.230 nan 0.000 0.432 477 R N -0.658 119.813 120.500 -0.048 0.000 2.083 477 R HA -0.182 4.369 4.340 0.351 0.000 0.237 477 R C 2.168 178.434 176.300 -0.056 0.000 1.137 477 R CA 1.737 57.816 56.100 -0.034 0.000 0.951 477 R CB -0.641 29.649 30.300 -0.017 0.000 0.851 477 R HN 0.378 nan 8.270 nan 0.000 0.434 478 I N 1.425 121.945 120.570 -0.083 0.000 2.118 478 I HA -0.300 4.080 4.170 0.351 0.000 0.241 478 I C 2.492 178.516 176.117 -0.154 0.000 1.070 478 I CA 1.651 62.885 61.300 -0.110 0.000 1.327 478 I CB -1.308 36.565 38.000 -0.212 0.000 1.034 478 I HN 0.191 nan 8.210 nan 0.000 0.405 479 L N 0.017 121.097 121.223 -0.238 0.000 2.012 479 L HA -0.260 4.291 4.340 0.351 0.000 0.210 479 L C 2.765 179.369 176.870 -0.443 0.000 1.073 479 L CA 1.446 56.086 54.840 -0.333 0.000 0.748 479 L CB -0.730 40.975 42.059 -0.591 0.000 0.891 479 L HN 0.340 nan 8.230 nan 0.000 0.431 480 Q N 0.485 120.035 119.800 -0.417 0.000 1.921 480 Q HA -0.255 4.295 4.340 0.351 0.000 0.208 480 Q C 1.813 177.817 176.000 0.008 0.000 0.994 480 Q CA 2.072 57.804 55.803 -0.118 0.000 0.857 480 Q CB -0.396 28.371 28.738 0.049 0.000 0.925 480 Q HN 0.604 nan 8.270 nan 0.000 0.421 481 E N -0.272 119.928 120.200 0.000 0.000 2.527 481 E HA -0.187 4.374 4.350 0.351 0.000 0.204 481 E C 0.627 177.137 176.600 -0.149 0.000 1.132 481 E CA 0.871 57.251 56.400 -0.034 0.000 0.905 481 E CB 0.004 29.682 29.700 -0.035 0.000 0.875 481 E HN 0.458 nan 8.360 nan 0.000 0.548 482 H N -1.424 117.473 119.070 -0.289 0.000 2.501 482 H HA 0.165 4.932 4.556 0.351 0.000 0.281 482 H C 0.102 175.016 175.328 -0.689 0.000 0.988 482 H CA 0.863 56.540 56.048 -0.619 0.000 1.232 482 H CB 0.574 29.739 29.762 -0.994 0.000 1.455 482 H HN 0.170 nan 8.280 nan 0.000 0.501 483 Y N -1.603 118.816 120.300 0.199 0.000 2.672 483 Y HA 0.448 5.209 4.550 0.352 0.000 0.252 483 Y C 1.782 177.901 175.900 0.365 0.000 1.132 483 Y CA 0.184 58.454 58.100 0.283 0.000 1.228 483 Y CB 0.127 38.736 38.460 0.247 0.000 1.310 483 Y HN 0.153 nan 8.280 nan 0.000 0.549 484 A N 0.854 123.946 122.820 0.453 0.000 2.204 484 A HA -0.207 4.324 4.320 0.351 0.000 0.220 484 A C 1.491 179.248 177.584 0.288 0.000 1.165 484 A CA 2.181 54.513 52.037 0.492 0.000 0.671 484 A CB -0.380 18.824 19.000 0.339 0.000 0.792 484 A HN 0.527 nan 8.150 nan 0.000 0.473 485 N N -2.479 116.371 118.700 0.250 0.000 2.113 485 N HA 0.015 4.966 4.740 0.351 0.000 0.223 485 N C -0.154 175.470 175.510 0.190 0.000 1.310 485 N CA -0.278 52.870 53.050 0.163 0.000 0.896 485 N CB -0.034 38.505 38.487 0.086 0.000 1.097 485 N HN 0.507 nan 8.380 nan 0.000 0.507 486 H N 4.785 123.979 119.070 0.207 0.000 3.125 486 H HA 0.021 4.787 4.556 0.351 0.000 0.310 486 H C -1.489 173.923 175.328 0.140 0.000 0.980 486 H CA -0.279 55.892 56.048 0.206 0.000 1.422 486 H CB 1.103 31.076 29.762 0.351 0.000 1.432 486 H HN 0.070 nan 8.280 nan 0.000 0.577 487 P HA 0.073 nan 4.420 nan 0.000 0.256 487 P C 0.194 177.660 177.300 0.276 0.000 1.335 487 P CA 0.507 63.753 63.100 0.244 0.000 0.808 487 P CB 0.295 32.066 31.700 0.118 0.000 1.305 488 R N -1.481 119.238 120.500 0.366 0.000 2.496 488 R HA 0.253 4.804 4.340 0.351 0.000 0.369 488 R C -0.516 175.711 176.300 -0.122 0.000 0.896 488 R CA 0.019 56.157 56.100 0.062 0.000 1.147 488 R CB 1.438 31.748 30.300 0.017 0.000 1.697 488 R HN -0.026 nan 8.270 nan 0.000 0.518 489 V N 1.299 121.175 119.914 -0.064 0.000 2.709 489 V HA 0.532 4.862 4.120 0.351 0.000 0.308 489 V C -0.672 175.489 176.094 0.112 0.000 1.062 489 V CA -0.857 61.393 62.300 -0.083 0.000 0.901 489 V CB 2.324 33.979 31.823 -0.279 0.000 1.003 489 V HN 0.134 nan 8.190 nan 0.000 0.425 490 R N 3.834 124.399 120.500 0.109 0.000 2.564 490 R HA 0.733 5.284 4.340 0.351 0.000 0.284 490 R C -1.443 174.959 176.300 0.169 0.000 1.031 490 R CA -0.456 55.702 56.100 0.098 0.000 0.904 490 R CB 2.285 32.596 30.300 0.018 0.000 1.199 490 R HN 0.689 nan 8.270 nan 0.000 0.443 491 F N 0.787 120.766 119.950 0.048 0.000 2.664 491 F HA 0.827 5.566 4.527 0.354 0.000 0.329 491 F C -0.845 174.985 175.800 0.049 0.000 1.090 491 F CA -1.451 56.578 58.000 0.048 0.000 0.978 491 F CB 1.522 40.564 39.000 0.069 0.000 1.378 491 F HN 0.435 nan 8.300 nan 0.000 0.495 492 I N 0.155 120.845 120.570 0.200 0.000 2.984 492 I HA 0.567 4.948 4.170 0.351 0.000 0.303 492 I C -1.620 174.598 176.117 0.169 0.000 1.381 492 I CA -0.344 61.013 61.300 0.094 0.000 0.988 492 I CB 2.500 40.517 38.000 0.029 0.000 1.307 492 I HN 0.749 nan 8.210 nan 0.000 0.460 493 S N 4.044 119.821 115.700 0.128 0.000 2.568 493 S HA 0.730 5.410 4.470 0.351 0.000 0.302 493 S C -1.530 173.121 174.600 0.084 0.000 1.082 493 S CA -0.599 57.675 58.200 0.123 0.000 1.009 493 S CB 1.890 65.169 63.200 0.130 0.000 1.069 493 S HN 0.582 nan 8.310 nan 0.000 0.500 494 Q N 0.444 120.294 119.800 0.083 0.000 2.472 494 Q HA 0.414 4.965 4.340 0.351 0.000 0.281 494 Q C -1.570 174.471 176.000 0.069 0.000 0.997 494 Q CA -1.342 54.498 55.803 0.062 0.000 0.828 494 Q CB 0.989 29.756 28.738 0.049 0.000 1.443 494 Q HN 0.577 nan 8.270 nan 0.000 0.390 495 K N 1.248 121.681 120.400 0.055 0.000 2.489 495 K HA 0.015 4.546 4.320 0.351 0.000 0.278 495 K C -0.230 176.400 176.600 0.050 0.000 1.000 495 K CA -0.110 56.212 56.287 0.058 0.000 1.012 495 K CB 0.240 32.766 32.500 0.042 0.000 0.903 495 K HN 0.678 nan 8.250 nan 0.000 0.485 496 N N 2.496 121.238 118.700 0.070 0.000 2.223 496 N HA -0.144 4.807 4.740 0.351 0.000 0.271 496 N C -0.712 174.767 175.510 -0.051 0.000 1.315 496 N CA 0.553 53.603 53.050 0.000 0.000 0.835 496 N CB 0.406 38.885 38.487 -0.013 0.000 1.066 496 N HN 0.682 nan 8.380 nan 0.000 0.486 497 K N 2.094 122.450 120.400 -0.072 0.000 2.564 497 K HA 0.301 4.832 4.320 0.351 0.000 0.201 497 K C -0.093 176.462 176.600 -0.076 0.000 1.086 497 K CA -0.076 56.176 56.287 -0.058 0.000 1.062 497 K CB 0.780 33.265 32.500 -0.025 0.000 0.849 497 K HN 0.799 nan 8.250 nan 0.000 0.529 498 G N 1.353 110.076 108.800 -0.128 0.000 2.555 498 G HA2 -0.183 3.988 3.960 0.351 0.000 0.686 498 G HA3 -0.183 3.988 3.960 0.351 0.000 0.686 498 G C 0.252 175.098 174.900 -0.089 0.000 1.275 498 G CA -0.408 44.625 45.100 -0.112 0.000 0.871 498 G HN 0.117 nan 8.290 nan 0.000 0.603 499 I N -1.303 119.230 120.570 -0.062 0.000 2.406 499 I HA 0.297 4.678 4.170 0.351 0.000 0.249 499 I C 2.435 178.506 176.117 -0.077 0.000 1.122 499 I CA 2.418 63.694 61.300 -0.041 0.000 1.431 499 I CB -0.697 37.311 38.000 0.012 0.000 1.087 499 I HN 1.064 nan 8.210 nan 0.000 0.424 500 G N -0.116 108.662 108.800 -0.037 0.000 2.479 500 G HA2 -0.250 3.921 3.960 0.351 0.000 0.220 500 G HA3 -0.250 3.921 3.960 0.351 0.000 0.220 500 G C 1.644 176.525 174.900 -0.031 0.000 1.115 500 G CA 1.026 46.124 45.100 -0.002 0.000 0.757 500 G HN 0.505 nan 8.290 nan 0.000 0.560 501 S N 0.064 115.736 115.700 -0.046 0.000 2.371 501 S HA 0.265 4.946 4.470 0.351 0.000 0.219 501 S C 2.796 177.362 174.600 -0.057 0.000 1.040 501 S CA 1.188 59.370 58.200 -0.030 0.000 0.958 501 S CB -0.457 62.731 63.200 -0.021 0.000 0.860 501 S HN 0.490 nan 8.310 nan 0.000 0.487 502 A N 1.341 124.125 122.820 -0.060 0.000 1.927 502 A HA -0.122 4.409 4.320 0.351 0.000 0.220 502 A C 2.337 179.864 177.584 -0.094 0.000 1.185 502 A CA 2.469 54.484 52.037 -0.036 0.000 0.639 502 A CB -1.361 17.640 19.000 0.002 0.000 0.820 502 A HN 0.567 nan 8.150 nan 0.000 0.451 503 S N 0.487 116.030 115.700 -0.261 0.000 2.363 503 S HA -0.191 4.490 4.470 0.351 0.000 0.218 503 S C 1.813 176.151 174.600 -0.436 0.000 1.035 503 S CA 1.244 59.084 58.200 -0.601 0.000 1.043 503 S CB -0.638 61.517 63.200 -1.742 0.000 0.986 503 S HN 0.683 nan 8.310 nan 0.000 0.423 504 N N 0.637 119.215 118.700 -0.204 0.000 2.484 504 N HA -0.104 4.846 4.740 0.351 0.000 0.193 504 N C 1.316 176.868 175.510 0.070 0.000 1.033 504 N CA 1.232 54.396 53.050 0.190 0.000 0.906 504 N CB -0.280 38.356 38.487 0.250 0.000 0.947 504 N HN 0.408 nan 8.380 nan 0.000 0.448 505 T N -0.494 114.044 114.554 -0.025 0.000 3.042 505 T HA 0.224 4.784 4.350 0.351 0.000 0.245 505 T C 1.909 176.591 174.700 -0.031 0.000 1.029 505 T CA 0.489 62.585 62.100 -0.006 0.000 1.120 505 T CB 0.147 69.021 68.868 0.009 0.000 0.917 505 T HN 0.245 nan 8.240 nan 0.000 0.467 506 A N 1.168 123.960 122.820 -0.047 0.000 1.855 506 A HA 0.001 4.532 4.320 0.351 0.000 0.215 506 A C 2.440 179.965 177.584 -0.098 0.000 1.191 506 A CA 1.224 53.259 52.037 -0.003 0.000 0.613 506 A CB -1.078 18.001 19.000 0.131 0.000 0.829 506 A HN 0.292 nan 8.150 nan 0.000 0.442 507 V N -0.037 119.689 119.914 -0.314 0.000 2.392 507 V HA -0.240 4.091 4.120 0.351 0.000 0.249 507 V C 2.602 178.445 176.094 -0.418 0.000 1.059 507 V CA 2.299 64.279 62.300 -0.534 0.000 1.051 507 V CB -0.767 30.470 31.823 -0.977 0.000 0.658 507 V HN 0.613 nan 8.190 nan 0.000 0.455 508 R N -0.686 119.666 120.500 -0.247 0.000 2.285 508 R HA -0.029 4.522 4.340 0.351 0.000 0.213 508 R C 2.070 178.339 176.300 -0.053 0.000 1.068 508 R CA 0.857 56.908 56.100 -0.081 0.000 1.004 508 R CB -0.096 30.231 30.300 0.044 0.000 0.873 508 R HN 0.514 nan 8.270 nan 0.000 0.467 509 L N -0.315 120.869 121.223 -0.066 0.000 2.253 509 L HA 0.112 4.663 4.340 0.351 0.000 0.205 509 L C 0.322 177.172 176.870 -0.033 0.000 1.078 509 L CA -0.014 54.809 54.840 -0.029 0.000 0.805 509 L CB 0.182 42.236 42.059 -0.009 0.000 0.963 509 L HN 0.188 nan 8.230 nan 0.000 0.459 510 C N 0.684 119.947 119.300 -0.062 0.000 2.674 510 C HA -0.072 4.599 4.460 0.351 0.000 0.405 510 C C 1.832 176.800 174.990 -0.037 0.000 1.285 510 C CA 0.113 59.100 59.018 -0.051 0.000 1.845 510 C CB -0.220 27.465 27.740 -0.092 0.000 2.689 510 C HN 0.490 nan 8.230 nan 0.000 0.643 511 R N 0.399 120.895 120.500 -0.006 0.000 2.469 511 R HA 0.178 4.729 4.340 0.351 0.000 0.250 511 R C 1.119 177.453 176.300 0.056 0.000 0.909 511 R CA 0.205 56.320 56.100 0.025 0.000 1.050 511 R CB 0.291 30.617 30.300 0.043 0.000 1.256 511 R HN 0.877 nan 8.270 nan 0.000 0.550 512 G N -0.294 108.530 108.800 0.041 0.000 2.653 512 G HA2 0.002 4.173 3.960 0.351 0.000 0.265 512 G HA3 0.002 4.173 3.960 0.351 0.000 0.265 512 G C -0.144 174.804 174.900 0.080 0.000 1.237 512 G CA -0.374 44.777 45.100 0.086 0.000 0.946 512 G HN 0.126 nan 8.290 nan 0.000 0.522 513 F N -1.052 118.880 119.950 -0.030 0.000 2.530 513 F HA 0.381 5.117 4.527 0.349 0.000 0.292 513 F C 0.150 175.686 175.800 -0.440 0.000 1.109 513 F CA -0.312 57.570 58.000 -0.198 0.000 1.450 513 F CB 0.260 39.148 39.000 -0.187 0.000 1.114 513 F HN 0.247 nan 8.300 nan 0.000 0.560 514 Y N 1.934 122.090 120.300 -0.239 0.000 2.385 514 Y HA 0.440 5.203 4.550 0.354 0.000 0.341 514 Y C -0.257 175.394 175.900 -0.415 0.000 0.965 514 Y CA -0.790 57.030 58.100 -0.468 0.000 1.180 514 Y CB 0.630 38.866 38.460 -0.373 0.000 1.139 514 Y HN -0.225 nan 8.280 nan 0.000 0.502 515 I N 3.104 123.373 120.570 -0.503 0.000 2.377 515 I HA 0.601 4.982 4.170 0.351 0.000 0.293 515 I C 0.476 176.175 176.117 -0.698 0.000 0.987 515 I CA -0.601 60.367 61.300 -0.552 0.000 1.185 515 I CB 1.760 39.390 38.000 -0.617 0.000 1.341 515 I HN 0.727 nan 8.210 nan 0.000 0.455 516 G N 4.627 113.267 108.800 -0.266 0.000 2.495 516 G HA2 0.404 4.574 3.960 0.351 0.000 0.318 516 G HA3 0.404 4.574 3.960 0.351 0.000 0.318 516 G C -1.364 173.568 174.900 0.053 0.000 1.257 516 G CA -0.452 44.571 45.100 -0.128 0.000 0.962 516 G HN 0.569 nan 8.290 nan 0.000 0.483 517 Q N 1.412 121.266 119.800 0.091 0.000 2.256 517 Q HA 0.518 5.069 4.340 0.351 0.000 0.254 517 Q C -1.257 174.710 176.000 -0.055 0.000 0.916 517 Q CA -0.487 55.202 55.803 -0.191 0.000 0.932 517 Q CB 1.249 30.099 28.738 0.187 0.000 1.207 517 Q HN 0.459 nan 8.270 nan 0.000 0.426 518 L N 4.821 125.916 121.223 -0.214 0.000 2.504 518 L HA 0.361 4.911 4.340 0.351 0.000 0.265 518 L C -1.318 175.565 176.870 0.020 0.000 0.975 518 L CA -0.685 54.190 54.840 0.058 0.000 0.864 518 L CB 1.792 43.878 42.059 0.045 0.000 1.212 518 L HN 0.751 nan 8.230 nan 0.000 0.416 519 D N 2.284 122.781 120.400 0.162 0.000 2.389 519 D HA 0.040 4.891 4.640 0.351 0.000 0.247 519 D C 1.391 177.725 176.300 0.056 0.000 1.128 519 D CA 0.349 54.413 54.000 0.108 0.000 0.884 519 D CB 1.922 42.819 40.800 0.161 0.000 1.194 519 D HN 0.685 nan 8.370 nan 0.000 0.441 520 S N 2.480 118.217 115.700 0.061 0.000 2.401 520 S HA -0.309 4.372 4.470 0.351 0.000 0.236 520 S C 1.197 175.839 174.600 0.069 0.000 1.058 520 S CA 1.849 60.089 58.200 0.066 0.000 1.151 520 S CB -0.334 62.923 63.200 0.095 0.000 1.049 520 S HN 0.695 nan 8.310 nan 0.000 0.432 521 D N 1.713 122.147 120.400 0.057 0.000 2.378 521 D HA 0.004 4.855 4.640 0.351 0.000 0.227 521 D C -0.029 176.205 176.300 -0.111 0.000 1.012 521 D CA 0.473 54.474 54.000 0.002 0.000 0.905 521 D CB -0.443 40.290 40.800 -0.112 0.000 0.895 521 D HN 0.418 nan 8.370 nan 0.000 0.532 522 D N 0.345 120.669 120.400 -0.127 0.000 2.478 522 D HA 0.469 5.320 4.640 0.351 0.000 0.263 522 D C -0.083 176.122 176.300 -0.159 0.000 1.153 522 D CA -0.428 53.390 54.000 -0.304 0.000 1.038 522 D CB 1.126 41.583 40.800 -0.572 0.000 1.120 522 D HN 0.164 nan 8.370 nan 0.000 0.564 523 F N -1.303 118.385 119.950 -0.435 0.000 2.622 523 F HA 0.454 5.192 4.527 0.351 0.000 0.318 523 F C -1.489 174.093 175.800 -0.363 0.000 1.135 523 F CA -1.117 56.703 58.000 -0.299 0.000 1.015 523 F CB 0.337 39.223 39.000 -0.190 0.000 1.275 523 F HN 0.070 nan 8.300 nan 0.000 0.457 524 L N 2.581 123.715 121.223 -0.147 0.000 2.479 524 L HA 0.409 4.960 4.340 0.351 0.000 0.249 524 L C 0.444 177.301 176.870 -0.022 0.000 1.178 524 L CA -0.724 54.025 54.840 -0.152 0.000 0.811 524 L CB 0.533 42.494 42.059 -0.163 0.000 1.187 524 L HN 0.600 nan 8.230 nan 0.000 0.480 525 E N 1.777 121.950 120.200 -0.045 0.000 2.277 525 E HA 0.199 4.759 4.350 0.351 0.000 0.274 525 E C -2.145 174.457 176.600 0.004 0.000 1.022 525 E CA -1.863 54.542 56.400 0.009 0.000 0.853 525 E CB 0.916 30.620 29.700 0.008 0.000 1.086 525 E HN 0.221 nan 8.360 nan 0.000 0.397 526 P HA 0.062 nan 4.420 nan 0.000 0.226 526 P C -0.373 176.922 177.300 -0.008 0.000 1.783 526 P CA 0.404 63.502 63.100 -0.002 0.000 0.980 526 P CB -0.134 31.551 31.700 -0.025 0.000 1.967 527 D N 0.086 120.493 120.400 0.012 0.000 4.318 527 D HA -0.070 4.781 4.640 0.351 0.000 0.187 527 D C 0.782 177.111 176.300 0.049 0.000 0.460 527 D CA 0.126 54.140 54.000 0.023 0.000 0.635 527 D CB -1.306 39.499 40.800 0.007 0.000 1.653 527 D HN 0.124 nan 8.370 nan 0.000 0.093 528 A N 0.820 123.672 122.820 0.053 0.000 1.970 528 A HA 0.205 4.736 4.320 0.351 0.000 0.216 528 A C 2.144 179.868 177.584 0.233 0.000 1.170 528 A CA 1.690 53.797 52.037 0.117 0.000 0.645 528 A CB -0.293 18.702 19.000 -0.008 0.000 0.816 528 A HN 0.176 nan 8.150 nan 0.000 0.447 529 V N 0.069 120.088 119.914 0.174 0.000 2.871 529 V HA -0.148 4.183 4.120 0.351 0.000 0.256 529 V C 2.332 178.486 176.094 0.099 0.000 1.082 529 V CA 1.819 64.229 62.300 0.184 0.000 1.105 529 V CB -0.428 31.471 31.823 0.127 0.000 0.713 529 V HN 0.721 nan 8.190 nan 0.000 0.473 530 E N 0.550 120.798 120.200 0.079 0.000 2.033 530 E HA -0.113 4.448 4.350 0.351 0.000 0.189 530 E C 2.229 178.857 176.600 0.047 0.000 0.979 530 E CA 0.896 57.324 56.400 0.047 0.000 0.802 530 E CB -0.003 29.722 29.700 0.041 0.000 0.763 530 E HN 0.543 nan 8.360 nan 0.000 0.449 531 L N 0.710 121.970 121.223 0.062 0.000 1.971 531 L HA -0.291 4.260 4.340 0.351 0.000 0.215 531 L C 2.962 179.862 176.870 0.052 0.000 1.072 531 L CA 1.546 56.416 54.840 0.049 0.000 0.758 531 L CB -0.867 41.227 42.059 0.058 0.000 0.889 531 L HN 0.345 nan 8.230 nan 0.000 0.433 532 C N -0.323 119.030 119.300 0.089 0.000 2.398 532 C HA -0.208 4.463 4.460 0.351 0.000 0.276 532 C C 2.776 177.886 174.990 0.199 0.000 1.222 532 C CA 0.604 59.685 59.018 0.106 0.000 1.746 532 C CB -0.906 26.912 27.740 0.130 0.000 2.039 532 C HN 0.429 nan 8.230 nan 0.000 0.470 533 L N 0.942 122.227 121.223 0.104 0.000 2.127 533 L HA -0.146 4.405 4.340 0.351 0.000 0.211 533 L C 2.021 178.911 176.870 0.033 0.000 1.089 533 L CA 1.952 56.781 54.840 -0.018 0.000 0.757 533 L CB -0.811 41.181 42.059 -0.112 0.000 0.899 533 L HN 0.344 nan 8.230 nan 0.000 0.434 534 D N -0.701 119.721 120.400 0.036 0.000 2.084 534 D HA -0.163 4.688 4.640 0.351 0.000 0.196 534 D C 2.056 178.377 176.300 0.035 0.000 0.985 534 D CA 1.139 55.155 54.000 0.027 0.000 0.826 534 D CB -0.123 40.684 40.800 0.013 0.000 0.978 534 D HN 0.327 nan 8.370 nan 0.000 0.456 535 E N 0.294 120.492 120.200 -0.003 0.000 2.097 535 E HA -0.189 4.372 4.350 0.351 0.000 0.196 535 E C 2.284 178.857 176.600 -0.045 0.000 1.000 535 E CA 0.673 57.031 56.400 -0.071 0.000 0.804 535 E CB -0.616 28.973 29.700 -0.184 0.000 0.740 535 E HN 0.395 nan 8.360 nan 0.000 0.454 536 F N 0.832 120.801 119.950 0.030 0.000 2.171 536 F HA -0.170 4.568 4.527 0.352 0.000 0.300 536 F C 2.643 178.536 175.800 0.156 0.000 1.090 536 F CA 0.974 59.056 58.000 0.138 0.000 1.293 536 F CB -0.069 39.033 39.000 0.170 0.000 1.013 536 F HN -0.076 nan 8.300 nan 0.000 0.486 537 R N 0.864 121.510 120.500 0.243 0.000 2.081 537 R HA -0.089 4.462 4.340 0.351 0.000 0.235 537 R C 1.899 178.277 176.300 0.130 0.000 1.131 537 R CA 1.271 57.468 56.100 0.162 0.000 0.960 537 R CB -0.493 29.854 30.300 0.079 0.000 0.856 537 R HN 0.172 nan 8.270 nan 0.000 0.436 538 K N -0.298 120.157 120.400 0.091 0.000 2.362 538 K HA -0.052 4.479 4.320 0.351 0.000 0.200 538 K C -0.125 176.519 176.600 0.074 0.000 1.046 538 K CA 0.811 57.135 56.287 0.062 0.000 0.952 538 K CB 0.066 32.581 32.500 0.025 0.000 0.753 538 K HN 0.087 nan 8.250 nan 0.000 0.466 539 D N -0.564 119.900 120.400 0.108 0.000 2.966 539 D HA 0.148 4.999 4.640 0.351 0.000 0.222 539 D C 0.057 176.488 176.300 0.218 0.000 1.292 539 D CA -0.393 53.679 54.000 0.119 0.000 0.907 539 D CB 1.362 42.197 40.800 0.058 0.000 1.621 539 D HN -0.162 nan 8.370 nan 0.000 0.557 540 L N 1.808 123.174 121.223 0.239 0.000 2.590 540 L HA 0.141 4.692 4.340 0.351 0.000 0.227 540 L C 1.946 178.994 176.870 0.297 0.000 1.099 540 L CA -0.061 54.992 54.840 0.356 0.000 0.872 540 L CB 0.059 42.336 42.059 0.364 0.000 1.088 540 L HN 0.228 nan 8.230 nan 0.000 0.479 541 S N 0.313 116.127 115.700 0.190 0.000 2.383 541 S HA -0.033 4.648 4.470 0.351 0.000 0.227 541 S C 0.889 175.578 174.600 0.147 0.000 1.026 541 S CA 0.276 58.557 58.200 0.135 0.000 0.981 541 S CB -0.169 63.076 63.200 0.075 0.000 0.818 541 S HN 0.087 nan 8.310 nan 0.000 0.472 542 L N 1.699 123.015 121.223 0.154 0.000 2.678 542 L HA -0.085 4.466 4.340 0.351 0.000 0.285 542 L C 1.092 178.103 176.870 0.235 0.000 1.233 542 L CA 0.282 55.199 54.840 0.127 0.000 0.920 542 L CB -0.022 42.033 42.059 -0.007 0.000 1.176 542 L HN 0.161 nan 8.230 nan 0.000 0.495 543 A N 3.573 126.526 122.820 0.222 0.000 2.085 543 A HA 0.243 4.774 4.320 0.351 0.000 0.208 543 A C 0.648 178.371 177.584 0.233 0.000 1.191 543 A CA 0.720 52.919 52.037 0.270 0.000 0.799 543 A CB 0.174 19.362 19.000 0.313 0.000 0.877 543 A HN 0.710 nan 8.150 nan 0.000 0.473 544 C N -0.245 119.009 119.300 -0.077 0.000 3.181 544 C HA 0.595 5.266 4.460 0.351 0.000 0.362 544 C C -1.392 173.253 174.990 -0.576 0.000 1.125 544 C CA -0.244 58.552 59.018 -0.370 0.000 1.265 544 C CB 0.856 27.965 27.740 -1.051 0.000 1.632 544 C HN 1.001 nan 8.230 nan 0.000 0.525 545 V N 3.905 123.568 119.914 -0.418 0.000 2.735 545 V HA 0.958 5.289 4.120 0.351 0.000 0.310 545 V C -1.121 174.836 176.094 -0.228 0.000 1.061 545 V CA -0.504 61.547 62.300 -0.415 0.000 0.913 545 V CB 1.403 32.919 31.823 -0.512 0.000 1.005 545 V HN 1.419 nan 8.190 nan 0.000 0.428 546 Y N 1.120 121.234 120.300 -0.311 0.000 2.513 546 Y HA 0.859 5.620 4.550 0.351 0.000 0.340 546 Y C 0.195 176.050 175.900 -0.076 0.000 1.055 546 Y CA -0.065 57.860 58.100 -0.290 0.000 1.020 546 Y CB 1.295 39.491 38.460 -0.439 0.000 1.301 546 Y HN 0.983 nan 8.280 nan 0.000 0.453 547 T N -0.612 114.024 114.554 0.137 0.000 3.753 547 T HA 0.695 5.256 4.350 0.351 0.000 0.299 547 T C 0.023 174.950 174.700 0.379 0.000 1.202 547 T CA 0.564 62.809 62.100 0.241 0.000 0.945 547 T CB 1.130 70.142 68.868 0.241 0.000 2.279 547 T HN 0.953 nan 8.240 nan 0.000 0.509 548 T N -0.472 114.280 114.554 0.329 0.000 2.618 548 T HA 0.626 5.187 4.350 0.351 0.000 0.293 548 T C -1.846 172.993 174.700 0.231 0.000 1.093 548 T CA -0.422 61.859 62.100 0.303 0.000 1.061 548 T CB 1.036 70.053 68.868 0.248 0.000 1.498 548 T HN 1.179 nan 8.240 nan 0.000 0.494 549 N N -0.732 118.069 118.700 0.168 0.000 3.308 549 N HA 0.602 5.553 4.740 0.351 0.000 0.276 549 N C -1.827 173.724 175.510 0.069 0.000 1.533 549 N CA -1.143 51.993 53.050 0.144 0.000 0.878 549 N CB 0.944 39.573 38.487 0.237 0.000 1.566 549 N HN 0.828 nan 8.380 nan 0.000 0.546 550 R N -0.442 120.066 120.500 0.014 0.000 2.574 550 R HA 0.547 5.098 4.340 0.351 0.000 0.288 550 R C -1.241 175.024 176.300 -0.057 0.000 1.004 550 R CA -0.940 55.154 56.100 -0.009 0.000 0.895 550 R CB 0.949 31.241 30.300 -0.013 0.000 1.191 550 R HN 0.476 nan 8.270 nan 0.000 0.444 551 N N 2.853 121.533 118.700 -0.034 0.000 2.482 551 N HA 0.241 5.191 4.740 0.351 0.000 0.260 551 N C -0.227 175.238 175.510 -0.073 0.000 1.236 551 N CA 0.052 53.067 53.050 -0.059 0.000 0.938 551 N CB 0.730 39.206 38.487 -0.019 0.000 1.128 551 N HN 0.422 nan 8.380 nan 0.000 0.448 552 I N -0.106 120.404 120.570 -0.100 0.000 3.042 552 I HA 0.186 4.567 4.170 0.351 0.000 0.310 552 I C 0.028 176.104 176.117 -0.068 0.000 1.117 552 I CA -0.677 60.581 61.300 -0.070 0.000 1.003 552 I CB 1.962 39.922 38.000 -0.067 0.000 1.228 552 I HN 0.390 nan 8.210 nan 0.000 0.443 553 D N 2.607 122.983 120.400 -0.040 0.000 2.256 553 D HA 0.205 5.056 4.640 0.351 0.000 0.250 553 D C 1.138 177.391 176.300 -0.078 0.000 1.093 553 D CA -0.208 53.769 54.000 -0.039 0.000 0.882 553 D CB 1.392 42.186 40.800 -0.011 0.000 1.185 553 D HN 0.405 nan 8.370 nan 0.000 0.437 554 R N 2.263 122.698 120.500 -0.109 0.000 2.234 554 R HA -0.279 4.272 4.340 0.351 0.000 0.262 554 R C 1.827 178.023 176.300 -0.173 0.000 1.150 554 R CA 2.110 58.078 56.100 -0.219 0.000 0.981 554 R CB -0.157 30.110 30.300 -0.055 0.000 0.899 554 R HN 0.663 nan 8.270 nan 0.000 0.458 555 E N -1.321 118.868 120.200 -0.018 0.000 2.005 555 E HA -0.125 4.436 4.350 0.351 0.000 0.191 555 E C 1.451 178.054 176.600 0.005 0.000 0.987 555 E CA 1.555 57.977 56.400 0.037 0.000 0.814 555 E CB 0.107 29.830 29.700 0.038 0.000 0.772 555 E HN 0.442 nan 8.360 nan 0.000 0.453 556 G N -0.216 108.586 108.800 0.003 0.000 4.397 556 G HA2 -0.045 4.125 3.960 0.351 0.000 0.149 556 G HA3 -0.045 4.125 3.960 0.351 0.000 0.149 556 G C -0.433 174.484 174.900 0.029 0.000 0.854 556 G CA -0.396 44.714 45.100 0.015 0.000 0.842 556 G HN 0.206 nan 8.290 nan 0.000 0.432 557 N N 2.347 121.055 118.700 0.013 0.000 2.359 557 N HA 0.116 5.067 4.740 0.351 0.000 0.261 557 N C -0.094 175.424 175.510 0.015 0.000 1.267 557 N CA -0.172 52.885 53.050 0.013 0.000 0.864 557 N CB 1.188 39.680 38.487 0.008 0.000 1.063 557 N HN 0.134 nan 8.380 nan 0.000 0.474 558 L N 5.185 126.419 121.223 0.019 0.000 2.433 558 L HA 0.111 4.662 4.340 0.351 0.000 0.275 558 L C 0.385 177.259 176.870 0.006 0.000 1.128 558 L CA 0.418 55.267 54.840 0.014 0.000 0.875 558 L CB -0.098 41.972 42.059 0.019 0.000 1.171 558 L HN 0.658 nan 8.230 nan 0.000 0.463 559 I N 3.449 124.017 120.570 -0.002 0.000 5.414 559 I HA 0.031 4.412 4.170 0.351 0.000 0.219 559 I C 0.978 177.098 176.117 0.006 0.000 0.931 559 I CA 0.204 61.505 61.300 0.001 0.000 1.560 559 I CB -0.047 37.952 38.000 -0.003 0.000 1.386 559 I HN 0.721 nan 8.210 nan 0.000 0.442 560 S N 0.663 116.368 115.700 0.007 0.000 2.638 560 S HA 0.393 5.074 4.470 0.351 0.000 0.298 560 S C -0.476 174.135 174.600 0.019 0.000 1.111 560 S CA -0.886 57.324 58.200 0.016 0.000 1.027 560 S CB 1.507 64.719 63.200 0.020 0.000 1.064 560 S HN 0.194 nan 8.310 nan 0.000 0.525 561 N N 1.125 119.842 118.700 0.029 0.000 2.520 561 N HA 0.309 5.260 4.740 0.351 0.000 0.273 561 N C 0.552 176.095 175.510 0.054 0.000 1.155 561 N CA 0.232 53.304 53.050 0.036 0.000 0.967 561 N CB 0.864 39.375 38.487 0.040 0.000 1.092 561 N HN 0.915 nan 8.380 nan 0.000 0.457 562 G N 1.304 110.137 108.800 0.056 0.000 2.554 562 G HA2 -0.032 4.139 3.960 0.351 0.000 0.238 562 G HA3 -0.032 4.139 3.960 0.351 0.000 0.238 562 G C -0.002 174.950 174.900 0.088 0.000 1.259 562 G CA -0.087 45.060 45.100 0.078 0.000 0.843 562 G HN 0.467 nan 8.290 nan 0.000 0.582 563 Y N 1.259 121.509 120.300 -0.084 0.000 2.641 563 Y HA 0.170 4.930 4.550 0.351 0.000 0.351 563 Y C 0.347 176.002 175.900 -0.408 0.000 1.269 563 Y CA -0.260 57.757 58.100 -0.139 0.000 1.485 563 Y CB 0.590 39.013 38.460 -0.062 0.000 1.364 563 Y HN 0.536 nan 8.280 nan 0.000 0.651 564 N N 3.929 122.317 118.700 -0.520 0.000 2.554 564 N HA 0.033 4.984 4.740 0.351 0.000 0.271 564 N C -2.128 173.403 175.510 0.034 0.000 1.081 564 N CA -0.538 52.319 53.050 -0.321 0.000 0.994 564 N CB 0.675 39.160 38.487 -0.005 0.000 1.641 564 N HN 0.874 nan 8.380 nan 0.000 0.511 565 W N 6.129 127.560 121.300 0.218 0.000 2.349 565 W HA 0.332 5.202 4.660 0.351 0.000 0.309 565 W C -1.883 174.774 176.519 0.230 0.000 1.083 565 W CA -1.991 55.435 57.345 0.135 0.000 1.224 565 W CB 1.532 31.079 29.460 0.145 0.000 1.256 565 W HN 0.516 nan 8.180 nan 0.000 0.461 566 P HA -0.203 nan 4.420 nan 0.000 0.214 566 P C 0.067 177.247 177.300 -0.200 0.000 1.169 566 P CA 1.856 64.799 63.100 -0.261 0.000 0.908 566 P CB 0.268 31.749 31.700 -0.364 0.000 0.791 567 I N -3.376 117.046 120.570 -0.247 0.000 2.608 567 I HA 0.230 4.611 4.170 0.351 0.000 0.295 567 I C -0.176 176.063 176.117 0.204 0.000 1.049 567 I CA -1.802 59.483 61.300 -0.026 0.000 1.063 567 I CB 0.910 38.859 38.000 -0.085 0.000 1.248 567 I HN -0.085 nan 8.210 nan 0.000 0.424 568 Y N 4.704 125.128 120.300 0.207 0.000 2.298 568 Y HA 0.528 5.289 4.550 0.351 0.000 0.329 568 Y C 0.365 176.372 175.900 0.180 0.000 1.293 568 Y CA 0.175 58.450 58.100 0.292 0.000 1.388 568 Y CB 1.063 39.706 38.460 0.305 0.000 1.309 568 Y HN 0.719 nan 8.280 nan 0.000 0.544 569 S N 3.290 118.330 115.700 -1.100 0.000 2.606 569 S HA 0.329 5.009 4.470 0.351 0.000 0.290 569 S C -0.364 173.571 174.600 -1.109 0.000 1.103 569 S CA -1.041 56.660 58.200 -0.833 0.000 0.870 569 S CB 1.212 64.225 63.200 -0.312 0.000 1.077 569 S HN 0.842 nan 8.310 nan 0.000 0.448 570 R N 1.069 121.141 120.500 -0.714 0.000 2.075 570 R HA -0.058 4.493 4.340 0.351 0.000 0.232 570 R C 1.424 177.504 176.300 -0.368 0.000 1.126 570 R CA 2.012 57.844 56.100 -0.446 0.000 0.963 570 R CB -0.440 29.697 30.300 -0.271 0.000 0.858 570 R HN 0.744 nan 8.270 nan 0.000 0.435 571 E N 0.819 120.703 120.200 -0.528 0.000 2.130 571 E HA -0.227 4.334 4.350 0.351 0.000 0.196 571 E C 1.741 178.250 176.600 -0.153 0.000 0.998 571 E CA 1.287 57.223 56.400 -0.774 0.000 0.806 571 E CB -0.052 28.869 29.700 -1.298 0.000 0.738 571 E HN 0.065 nan 8.360 nan 0.000 0.459 572 K N 0.474 120.785 120.400 -0.148 0.000 2.007 572 K HA -0.052 4.479 4.320 0.351 0.000 0.206 572 K C 1.828 178.408 176.600 -0.034 0.000 1.047 572 K CA 0.659 56.932 56.287 -0.023 0.000 0.937 572 K CB -0.506 31.991 32.500 -0.006 0.000 0.718 572 K HN 0.148 nan 8.250 nan 0.000 0.438 573 L N 1.161 122.335 121.223 -0.081 0.000 2.187 573 L HA -0.101 4.450 4.340 0.351 0.000 0.213 573 L C 1.223 178.157 176.870 0.106 0.000 1.100 573 L CA 2.221 57.080 54.840 0.032 0.000 0.765 573 L CB -0.902 41.202 42.059 0.075 0.000 0.904 573 L HN 0.419 nan 8.230 nan 0.000 0.437 574 T N -4.531 110.063 114.554 0.067 0.000 3.169 574 T HA 0.118 4.679 4.350 0.351 0.000 0.250 574 T C 1.490 176.183 174.700 -0.012 0.000 1.111 574 T CA 0.722 62.845 62.100 0.039 0.000 1.010 574 T CB -0.030 68.974 68.868 0.226 0.000 0.984 574 T HN 0.248 nan 8.240 nan 0.000 0.537 575 S N 0.265 116.005 115.700 0.067 0.000 2.649 575 S HA 0.713 5.394 4.470 0.351 0.000 0.246 575 S C 0.248 174.888 174.600 0.067 0.000 1.057 575 S CA 0.069 58.250 58.200 -0.033 0.000 1.051 575 S CB 0.702 64.015 63.200 0.188 0.000 1.018 575 S HN 0.790 nan 8.310 nan 0.000 0.569 576 A N 1.085 123.986 122.820 0.135 0.000 2.541 576 A HA 0.450 4.981 4.320 0.351 0.000 0.312 576 A C -0.706 176.822 177.584 -0.092 0.000 1.025 576 A CA -0.779 51.348 52.037 0.150 0.000 0.887 576 A CB -0.106 18.991 19.000 0.161 0.000 1.189 576 A HN 0.148 nan 8.150 nan 0.000 0.377 577 M N 3.710 123.047 119.600 -0.438 0.000 3.031 577 M HA 0.053 4.744 4.480 0.351 0.000 0.373 577 M C 0.563 176.746 176.300 -0.196 0.000 1.815 577 M CA 0.469 55.440 55.300 -0.548 0.000 1.350 577 M CB -0.883 31.290 32.600 -0.713 0.000 2.030 577 M HN 0.773 nan 8.290 nan 0.000 0.474 578 I N 1.006 121.437 120.570 -0.232 0.000 3.941 578 I HA 0.296 4.676 4.170 0.351 0.000 0.335 578 I C 0.168 175.876 176.117 -0.681 0.000 1.402 578 I CA -0.462 60.626 61.300 -0.352 0.000 1.112 578 I CB -0.007 37.831 38.000 -0.269 0.000 1.043 578 I HN 0.575 nan 8.210 nan 0.000 0.395 579 C N 4.049 122.957 119.300 -0.654 0.000 2.225 579 C HA 0.389 5.060 4.460 0.351 0.000 0.437 579 C C 1.077 175.524 174.990 -0.906 0.000 1.039 579 C CA -0.449 57.877 59.018 -1.153 0.000 1.406 579 C CB -1.633 25.684 27.740 -0.704 0.000 1.548 579 C HN 0.447 nan 8.230 nan 0.000 0.515 580 H N 1.624 120.448 119.070 -0.409 0.000 2.572 580 H HA 0.039 4.806 4.556 0.352 0.000 0.390 580 H C 0.498 175.746 175.328 -0.133 0.000 1.911 580 H CA 0.760 56.754 56.048 -0.090 0.000 1.451 580 H CB 0.251 30.080 29.762 0.112 0.000 1.568 580 H HN 0.569 nan 8.280 nan 0.000 0.566 581 H N 0.384 119.499 119.070 0.076 0.000 2.685 581 H HA 0.198 4.964 4.556 0.351 0.000 0.286 581 H C -0.983 174.220 175.328 -0.208 0.000 1.102 581 H CA -0.139 55.792 56.048 -0.194 0.000 1.254 581 H CB -0.314 29.269 29.762 -0.298 0.000 1.397 581 H HN 0.210 nan 8.280 nan 0.000 0.473 582 F N 3.459 123.308 119.950 -0.167 0.000 2.650 582 F HA 0.461 5.199 4.527 0.351 0.000 0.310 582 F C -1.702 174.020 175.800 -0.129 0.000 1.112 582 F CA -0.932 56.924 58.000 -0.241 0.000 0.986 582 F CB 1.317 40.263 39.000 -0.089 0.000 1.285 582 F HN 0.387 nan 8.300 nan 0.000 0.440 583 R N 5.683 125.781 120.500 -0.669 0.000 2.523 583 R HA 0.665 5.216 4.340 0.351 0.000 0.278 583 R C -1.532 174.481 176.300 -0.480 0.000 1.150 583 R CA -0.520 55.293 56.100 -0.477 0.000 0.987 583 R CB 2.198 32.212 30.300 -0.476 0.000 1.232 583 R HN 0.730 nan 8.270 nan 0.000 0.424 584 M N 4.321 123.721 119.600 -0.333 0.000 2.446 584 M HA 0.575 5.266 4.480 0.351 0.000 0.294 584 M C -1.425 174.875 176.300 -0.000 0.000 1.158 584 M CA -0.825 54.303 55.300 -0.287 0.000 0.899 584 M CB 2.093 34.602 32.600 -0.152 0.000 1.687 584 M HN 0.513 nan 8.290 nan 0.000 0.455 585 F N -1.501 118.487 119.950 0.063 0.000 2.643 585 F HA 0.708 5.445 4.527 0.350 0.000 0.314 585 F C -0.451 175.250 175.800 -0.164 0.000 1.096 585 F CA -1.108 56.933 58.000 0.070 0.000 0.953 585 F CB 0.641 39.676 39.000 0.058 0.000 1.345 585 F HN 0.317 nan 8.300 nan 0.000 0.468 586 T N 1.571 116.146 114.554 0.034 0.000 2.901 586 T HA 0.422 4.983 4.350 0.351 0.000 0.301 586 T C 1.251 175.761 174.700 -0.316 0.000 1.012 586 T CA 0.464 62.262 62.100 -0.502 0.000 1.135 586 T CB 1.378 70.000 68.868 -0.410 0.000 0.936 586 T HN 0.903 nan 8.240 nan 0.000 0.539 587 A N 4.164 126.568 122.820 -0.693 0.000 1.917 587 A HA -0.177 4.353 4.320 0.351 0.000 0.219 587 A C 2.300 179.808 177.584 -0.127 0.000 1.182 587 A CA 1.897 53.760 52.037 -0.291 0.000 0.633 587 A CB -0.530 18.255 19.000 -0.358 0.000 0.819 587 A HN 0.874 nan 8.150 nan 0.000 0.448 588 R N -0.395 119.919 120.500 -0.310 0.000 2.083 588 R HA -0.120 4.431 4.340 0.351 0.000 0.237 588 R C 2.342 178.565 176.300 -0.129 0.000 1.137 588 R CA 1.621 57.568 56.100 -0.254 0.000 0.951 588 R CB -0.550 29.480 30.300 -0.450 0.000 0.851 588 R HN 0.434 nan 8.270 nan 0.000 0.434 589 A N 0.969 123.741 122.820 -0.079 0.000 1.852 589 A HA -0.275 4.256 4.320 0.351 0.000 0.217 589 A C 1.937 179.517 177.584 -0.008 0.000 1.215 589 A CA 1.721 53.761 52.037 0.005 0.000 0.641 589 A CB -1.630 17.425 19.000 0.092 0.000 0.838 589 A HN 0.740 nan 8.150 nan 0.000 0.450 590 W N 1.361 122.564 121.300 -0.162 0.000 2.280 590 W HA -0.289 4.579 4.660 0.347 0.000 0.332 590 W C 1.942 178.344 176.519 -0.195 0.000 1.300 590 W CA 2.531 59.713 57.345 -0.272 0.000 1.274 590 W CB -0.476 28.860 29.460 -0.206 0.000 1.141 590 W HN 0.434 nan 8.180 nan 0.000 0.474 591 N N 0.161 118.855 118.700 -0.010 0.000 2.430 591 N HA -0.153 4.798 4.740 0.351 0.000 0.186 591 N C 1.512 176.904 175.510 -0.197 0.000 1.032 591 N CA 1.563 54.522 53.050 -0.151 0.000 0.893 591 N CB -0.537 37.949 38.487 -0.001 0.000 0.957 591 N HN 0.335 nan 8.380 nan 0.000 0.442 592 L N 0.282 121.414 121.223 -0.151 0.000 2.591 592 L HA 0.040 4.591 4.340 0.351 0.000 0.228 592 L C 1.189 177.969 176.870 -0.150 0.000 1.133 592 L CA 0.177 54.979 54.840 -0.063 0.000 0.880 592 L CB -0.134 41.963 42.059 0.063 0.000 1.033 592 L HN 0.127 nan 8.230 nan 0.000 0.450 593 T N -4.786 109.563 114.554 -0.341 0.000 2.922 593 T HA 0.239 4.800 4.350 0.351 0.000 0.281 593 T C 0.612 175.005 174.700 -0.512 0.000 1.005 593 T CA -0.703 61.151 62.100 -0.409 0.000 0.982 593 T CB 1.353 69.909 68.868 -0.520 0.000 1.158 593 T HN 0.023 nan 8.240 nan 0.000 0.566 594 E N 0.130 120.058 120.200 -0.452 0.000 2.437 594 E HA 0.374 4.935 4.350 0.351 0.000 0.189 594 E C 1.123 177.442 176.600 -0.468 0.000 1.054 594 E CA 0.011 56.172 56.400 -0.398 0.000 0.874 594 E CB -0.395 29.141 29.700 -0.272 0.000 1.011 594 E HN 0.990 nan 8.360 nan 0.000 0.474 595 G N 1.101 109.451 108.800 -0.751 0.000 2.752 595 G HA2 -0.310 3.861 3.960 0.351 0.000 0.234 595 G HA3 -0.310 3.861 3.960 0.351 0.000 0.234 595 G C -0.317 174.356 174.900 -0.378 0.000 1.367 595 G CA -0.695 44.025 45.100 -0.634 0.000 0.879 595 G HN 0.172 nan 8.290 nan 0.000 0.563 596 F N 0.648 120.566 119.950 -0.053 0.000 2.444 596 F HA 0.362 5.099 4.527 0.350 0.000 0.331 596 F C 1.214 176.962 175.800 -0.088 0.000 1.167 596 F CA -0.135 57.825 58.000 -0.066 0.000 1.262 596 F CB 0.580 39.577 39.000 -0.006 0.000 1.196 596 F HN 0.480 nan 8.300 nan 0.000 0.583 597 N N 1.762 120.512 118.700 0.083 0.000 2.406 597 N HA 0.043 4.994 4.740 0.351 0.000 0.251 597 N C -0.345 175.178 175.510 0.021 0.000 1.069 597 N CA 0.018 53.068 53.050 -0.000 0.000 0.947 597 N CB 0.458 38.909 38.487 -0.060 0.000 1.111 597 N HN 0.654 nan 8.380 nan 0.000 0.497 598 E N 1.217 121.424 120.200 0.011 0.000 2.335 598 E HA 0.048 4.608 4.350 0.351 0.000 0.191 598 E C 0.261 176.848 176.600 -0.022 0.000 1.077 598 E CA -0.075 56.325 56.400 0.000 0.000 1.010 598 E CB 0.181 29.885 29.700 0.006 0.000 1.141 598 E HN 0.613 nan 8.360 nan 0.000 0.452 599 S N -0.190 115.486 115.700 -0.040 0.000 2.847 599 S HA 0.193 4.874 4.470 0.351 0.000 0.254 599 S C 0.416 174.973 174.600 -0.072 0.000 1.039 599 S CA -0.671 57.505 58.200 -0.041 0.000 1.113 599 S CB -0.294 62.888 63.200 -0.030 0.000 1.092 599 S HN 0.275 nan 8.310 nan 0.000 0.620 600 I N -1.125 119.357 120.570 -0.147 0.000 2.436 600 I HA 0.620 5.001 4.170 0.351 0.000 0.289 600 I C 0.745 176.694 176.117 -0.280 0.000 1.010 600 I CA -0.878 60.198 61.300 -0.373 0.000 1.098 600 I CB 1.914 39.534 38.000 -0.633 0.000 1.266 600 I HN -0.132 nan 8.210 nan 0.000 0.434 601 S N 4.613 120.241 115.700 -0.120 0.000 2.372 601 S HA -0.225 4.456 4.470 0.351 0.000 0.227 601 S C 0.549 175.179 174.600 0.050 0.000 1.044 601 S CA 2.323 60.570 58.200 0.079 0.000 1.050 601 S CB -0.768 62.606 63.200 0.291 0.000 0.901 601 S HN 0.966 nan 8.310 nan 0.000 0.447 602 N N -2.316 116.406 118.700 0.037 0.000 3.157 602 N HA 0.662 5.613 4.740 0.351 0.000 0.291 602 N C -0.040 175.505 175.510 0.057 0.000 1.515 602 N CA -0.323 52.793 53.050 0.110 0.000 0.807 602 N CB 0.656 39.279 38.487 0.225 0.000 1.672 602 N HN 0.190 nan 8.380 nan 0.000 0.592 603 A N -1.970 120.941 122.820 0.151 0.000 3.601 603 A HA -0.227 4.304 4.320 0.351 0.000 0.266 603 A C 1.409 179.055 177.584 0.103 0.000 1.077 603 A CA 1.130 53.266 52.037 0.164 0.000 1.228 603 A CB -2.543 16.555 19.000 0.163 0.000 1.099 603 A HN 0.691 nan 8.150 nan 0.000 0.916 604 V N 2.059 122.018 119.914 0.075 0.000 2.277 604 V HA -0.435 3.896 4.120 0.351 0.000 0.253 604 V C 2.556 178.724 176.094 0.122 0.000 1.067 604 V CA 3.015 65.370 62.300 0.092 0.000 1.047 604 V CB -0.919 30.991 31.823 0.144 0.000 0.649 604 V HN 0.905 nan 8.190 nan 0.000 0.447 605 D N -0.374 120.134 120.400 0.182 0.000 2.137 605 D HA -0.331 4.519 4.640 0.351 0.000 0.189 605 D C 2.141 178.535 176.300 0.157 0.000 0.998 605 D CA 2.114 56.234 54.000 0.200 0.000 0.839 605 D CB -0.925 40.029 40.800 0.255 0.000 0.962 605 D HN 0.496 nan 8.370 nan 0.000 0.446 606 Y N 2.016 122.328 120.300 0.020 0.000 2.365 606 Y HA -0.183 4.577 4.550 0.352 0.000 0.287 606 Y C 1.790 177.608 175.900 -0.138 0.000 1.162 606 Y CA 1.406 59.473 58.100 -0.056 0.000 1.260 606 Y CB -0.628 37.747 38.460 -0.142 0.000 0.976 606 Y HN 0.048 nan 8.280 nan 0.000 0.548 607 D N -1.349 118.980 120.400 -0.118 0.000 2.213 607 D HA -0.128 4.723 4.640 0.351 0.000 0.205 607 D C 2.083 178.197 176.300 -0.310 0.000 0.961 607 D CA 0.806 54.654 54.000 -0.254 0.000 0.853 607 D CB -0.048 40.638 40.800 -0.191 0.000 0.967 607 D HN 0.269 nan 8.370 nan 0.000 0.496 608 M N -0.583 118.777 119.600 -0.400 0.000 2.115 608 M HA -0.029 4.662 4.480 0.351 0.000 0.261 608 M C 1.019 176.985 176.300 -0.557 0.000 1.079 608 M CA 1.470 56.364 55.300 -0.676 0.000 1.143 608 M CB -0.766 31.183 32.600 -1.084 0.000 1.332 608 M HN 0.025 nan 8.290 nan 0.000 0.421 609 Y N -0.292 119.959 120.300 -0.082 0.000 2.639 609 Y HA -0.035 4.726 4.550 0.352 0.000 0.297 609 Y C 1.909 177.844 175.900 0.057 0.000 1.151 609 Y CA 0.494 58.629 58.100 0.058 0.000 1.335 609 Y CB -0.918 37.590 38.460 0.081 0.000 0.994 609 Y HN 0.255 nan 8.280 nan 0.000 0.548 610 L N -0.056 121.145 121.223 -0.037 0.000 2.200 610 L HA 0.036 4.586 4.340 0.351 0.000 0.200 610 L C 2.012 178.796 176.870 -0.143 0.000 1.072 610 L CA 1.366 56.128 54.840 -0.129 0.000 0.787 610 L CB -0.456 41.399 42.059 -0.340 0.000 0.957 610 L HN -0.090 nan 8.230 nan 0.000 0.459 611 K N -0.618 119.661 120.400 -0.202 0.000 2.152 611 K HA -0.148 4.383 4.320 0.351 0.000 0.206 611 K C 2.030 178.547 176.600 -0.138 0.000 1.048 611 K CA 1.352 57.516 56.287 -0.206 0.000 0.933 611 K CB -0.188 32.129 32.500 -0.306 0.000 0.721 611 K HN 0.297 nan 8.250 nan 0.000 0.447 612 L N 0.756 121.931 121.223 -0.080 0.000 2.068 612 L HA -0.142 4.409 4.340 0.351 0.000 0.204 612 L C 2.530 179.478 176.870 0.130 0.000 1.076 612 L CA 1.104 55.990 54.840 0.077 0.000 0.753 612 L CB -0.535 41.658 42.059 0.223 0.000 0.910 612 L HN 0.246 nan 8.230 nan 0.000 0.439 613 S N -0.397 115.293 115.700 -0.018 0.000 2.461 613 S HA -0.257 4.424 4.470 0.351 0.000 0.246 613 S C 1.505 175.980 174.600 -0.208 0.000 1.007 613 S CA 1.655 59.574 58.200 -0.469 0.000 0.976 613 S CB -0.451 62.516 63.200 -0.389 0.000 0.763 613 S HN 0.545 nan 8.310 nan 0.000 0.508 614 E N 0.451 120.614 120.200 -0.062 0.000 2.122 614 E HA 0.059 4.620 4.350 0.351 0.000 0.190 614 E C 2.000 178.671 176.600 0.118 0.000 0.977 614 E CA 0.852 57.273 56.400 0.036 0.000 0.820 614 E CB -0.136 29.600 29.700 0.060 0.000 0.770 614 E HN 0.430 nan 8.360 nan 0.000 0.462 615 V N 0.478 120.450 119.914 0.097 0.000 2.667 615 V HA 0.023 4.353 4.120 0.351 0.000 0.252 615 V C 1.009 177.004 176.094 -0.165 0.000 1.065 615 V CA 1.295 63.635 62.300 0.066 0.000 1.083 615 V CB 0.080 31.972 31.823 0.114 0.000 0.692 615 V HN 0.321 nan 8.190 nan 0.000 0.468 616 G N -0.677 108.093 108.800 -0.051 0.000 2.550 616 G HA2 0.498 4.669 3.960 0.351 0.000 0.293 616 G HA3 0.498 4.669 3.960 0.351 0.000 0.293 616 G C -3.331 171.603 174.900 0.056 0.000 1.402 616 G CA -0.746 44.332 45.100 -0.037 0.000 0.784 616 G HN -0.073 nan 8.290 nan 0.000 0.482 617 P HA 0.565 nan 4.420 nan 0.000 0.281 617 P C -1.310 176.203 177.300 0.356 0.000 1.249 617 P CA -0.260 62.928 63.100 0.146 0.000 0.810 617 P CB 1.347 33.098 31.700 0.085 0.000 1.008 618 F N 1.273 121.113 119.950 -0.184 0.000 2.507 618 F HA 0.580 5.317 4.527 0.350 0.000 0.327 618 F C 0.772 176.375 175.800 -0.330 0.000 1.068 618 F CA -1.227 56.518 58.000 -0.426 0.000 0.965 618 F CB 1.656 40.002 39.000 -1.090 0.000 1.192 618 F HN 0.195 nan 8.300 nan 0.000 0.476 619 K N 0.955 121.254 120.400 -0.169 0.000 2.324 619 K HA 0.298 4.829 4.320 0.351 0.000 0.253 619 K C -1.632 174.798 176.600 -0.284 0.000 0.932 619 K CA -0.457 55.730 56.287 -0.166 0.000 0.799 619 K CB 1.038 33.411 32.500 -0.212 0.000 1.154 619 K HN 0.758 nan 8.250 nan 0.000 0.425 620 H N 5.113 123.960 119.070 -0.371 0.000 2.638 620 H HA 0.403 5.169 4.556 0.352 0.000 0.317 620 H C -0.567 174.548 175.328 -0.354 0.000 1.006 620 H CA -0.840 54.836 56.048 -0.619 0.000 1.222 620 H CB 0.699 30.101 29.762 -0.601 0.000 1.419 620 H HN 0.541 nan 8.280 nan 0.000 0.489 621 I N 5.258 125.797 120.570 -0.051 0.000 2.421 621 I HA -0.097 4.284 4.170 0.351 0.000 0.291 621 I C 0.483 176.506 176.117 -0.156 0.000 1.089 621 I CA 0.003 61.250 61.300 -0.089 0.000 1.354 621 I CB 0.294 38.283 38.000 -0.017 0.000 1.413 621 I HN 0.641 nan 8.210 nan 0.000 0.513 622 N N 7.861 126.369 118.700 -0.320 0.000 3.091 622 N HA 0.142 5.093 4.740 0.351 0.000 0.301 622 N C -0.568 174.887 175.510 -0.092 0.000 1.325 622 N CA 0.244 53.112 53.050 -0.304 0.000 1.143 622 N CB 0.193 38.486 38.487 -0.325 0.000 1.450 622 N HN 0.536 nan 8.380 nan 0.000 0.542 623 K N 0.373 120.768 120.400 -0.008 0.000 2.422 623 K HA 0.462 4.993 4.320 0.351 0.000 0.251 623 K C -0.222 176.422 176.600 0.073 0.000 0.933 623 K CA -0.690 55.611 56.287 0.023 0.000 0.798 623 K CB 2.339 34.849 32.500 0.017 0.000 1.238 623 K HN 0.026 nan 8.250 nan 0.000 0.428 624 I N 2.297 122.904 120.570 0.061 0.000 2.421 624 I HA 0.017 4.398 4.170 0.351 0.000 0.291 624 I C 0.374 176.536 176.117 0.074 0.000 1.089 624 I CA -0.237 61.109 61.300 0.077 0.000 1.354 624 I CB 0.171 38.201 38.000 0.049 0.000 1.413 624 I HN 0.705 nan 8.210 nan 0.000 0.513 625 C N 5.387 124.755 119.300 0.112 0.000 3.642 625 C HA 0.235 4.906 4.460 0.351 0.000 0.305 625 C C 0.178 175.222 174.990 0.091 0.000 1.492 625 C CA -0.402 58.670 59.018 0.089 0.000 1.809 625 C CB -0.865 26.949 27.740 0.123 0.000 2.639 625 C HN 0.619 nan 8.230 nan 0.000 0.672 626 Y N 2.279 122.531 120.300 -0.080 0.000 2.446 626 Y HA 0.509 5.270 4.550 0.351 0.000 0.345 626 Y C -0.613 175.124 175.900 -0.272 0.000 0.984 626 Y CA -0.800 57.191 58.100 -0.182 0.000 1.058 626 Y CB 0.840 39.258 38.460 -0.070 0.000 1.220 626 Y HN 0.118 nan 8.280 nan 0.000 0.455 627 N N 5.098 123.299 118.700 -0.832 0.000 2.524 627 N HA 0.305 5.256 4.740 0.351 0.000 0.261 627 N C -1.305 173.609 175.510 -0.994 0.000 0.998 627 N CA -0.572 51.954 53.050 -0.874 0.000 0.915 627 N CB 1.971 39.590 38.487 -1.446 0.000 1.187 627 N HN 0.592 nan 8.380 nan 0.000 0.507 628 R N 1.814 121.981 120.500 -0.555 0.000 2.514 628 R HA 0.444 4.995 4.340 0.351 0.000 0.301 628 R C -0.451 175.672 176.300 -0.295 0.000 0.962 628 R CA -0.547 55.285 56.100 -0.447 0.000 0.882 628 R CB 1.196 31.356 30.300 -0.233 0.000 1.143 628 R HN 0.120 nan 8.270 nan 0.000 0.452 629 V N 4.510 124.233 119.914 -0.318 0.000 2.963 629 V HA 0.029 4.360 4.120 0.351 0.000 0.306 629 V C 0.209 176.183 176.094 -0.200 0.000 1.077 629 V CA -0.130 61.996 62.300 -0.290 0.000 1.124 629 V CB 1.066 32.621 31.823 -0.446 0.000 0.987 629 V HN 0.601 nan 8.190 nan 0.000 0.487 630 L N 5.309 126.464 121.223 -0.113 0.000 2.719 630 L HA 0.373 4.924 4.340 0.351 0.000 0.236 630 L C 0.252 177.179 176.870 0.096 0.000 1.221 630 L CA 0.197 55.037 54.840 0.000 0.000 1.048 630 L CB -0.559 41.504 42.059 0.006 0.000 1.364 630 L HN 0.887 nan 8.230 nan 0.000 0.447 635 T N 1.581 116.145 114.554 0.017 0.000 2.809 635 T HA 0.685 5.246 4.350 0.351 0.000 0.296 635 T C -1.332 173.372 174.700 0.006 0.000 1.015 635 T CA -0.091 62.016 62.100 0.011 0.000 0.954 635 T CB 0.339 69.214 68.868 0.012 0.000 0.950 635 T HN 0.165 nan 8.240 nan 0.000 0.450 636 S N 5.755 121.458 115.700 0.006 0.000 2.530 636 S HA 0.467 5.148 4.470 0.351 0.000 0.322 636 S C 0.393 174.995 174.600 0.004 0.000 1.085 636 S CA -0.880 57.322 58.200 0.005 0.000 1.096 636 S CB 0.442 63.647 63.200 0.008 0.000 0.988 636 S HN 0.862 nan 8.310 nan 0.000 0.466 637 I N 1.277 121.849 120.570 0.004 0.000 2.533 637 I HA 0.212 4.593 4.170 0.351 0.000 0.284 637 I C 1.531 177.648 176.117 -0.001 0.000 1.109 637 I CA -0.556 60.745 61.300 0.002 0.000 1.412 637 I CB 0.444 38.446 38.000 0.003 0.000 1.396 637 I HN 0.687 nan 8.210 nan 0.000 0.543 638 K N 5.074 125.471 120.400 -0.004 0.000 2.209 638 K HA -0.322 4.209 4.320 0.351 0.000 0.220 638 K C 1.750 178.344 176.600 -0.011 0.000 1.002 638 K CA 2.719 59.001 56.287 -0.009 0.000 0.947 638 K CB -0.066 32.429 32.500 -0.010 0.000 0.891 638 K HN 0.743 nan 8.250 nan 0.000 0.476 639 K N 0.259 120.653 120.400 -0.009 0.000 2.032 639 K HA -0.211 4.320 4.320 0.351 0.000 0.218 639 K C 2.263 178.854 176.600 -0.015 0.000 1.054 639 K CA 2.043 58.324 56.287 -0.011 0.000 0.941 639 K CB -0.762 31.734 32.500 -0.006 0.000 0.720 639 K HN 0.261 nan 8.250 nan 0.000 0.449 640 L N 1.249 122.468 121.223 -0.007 0.000 2.131 640 L HA -0.162 4.388 4.340 0.351 0.000 0.210 640 L C 1.741 178.605 176.870 -0.011 0.000 1.092 640 L CA 1.557 56.394 54.840 -0.005 0.000 0.759 640 L CB -0.626 41.440 42.059 0.012 0.000 0.903 640 L HN 0.126 nan 8.230 nan 0.000 0.435 641 D N -0.562 119.833 120.400 -0.008 0.000 2.309 641 D HA -0.132 4.719 4.640 0.351 0.000 0.212 641 D C 2.120 178.405 176.300 -0.025 0.000 0.968 641 D CA 0.721 54.715 54.000 -0.010 0.000 0.882 641 D CB 0.025 40.819 40.800 -0.011 0.000 0.918 641 D HN 0.190 nan 8.370 nan 0.000 0.503 642 I N 0.704 121.254 120.570 -0.034 0.000 2.439 642 I HA -0.170 4.211 4.170 0.351 0.000 0.251 642 I C 2.252 178.326 176.117 -0.072 0.000 1.139 642 I CA 1.047 62.321 61.300 -0.044 0.000 1.438 642 I CB -1.070 36.907 38.000 -0.038 0.000 1.085 642 I HN 0.227 nan 8.210 nan 0.000 0.427 643 Q N 0.989 120.725 119.800 -0.108 0.000 2.250 643 Q HA -0.052 4.499 4.340 0.351 0.000 0.200 643 Q C 1.940 177.771 176.000 -0.280 0.000 0.941 643 Q CA 0.489 56.146 55.803 -0.243 0.000 0.872 643 Q CB -0.199 28.359 28.738 -0.299 0.000 0.965 643 Q HN 0.289 nan 8.270 nan 0.000 0.480 644 K N 1.291 121.635 120.400 -0.094 0.000 2.000 644 K HA -0.284 4.246 4.320 0.351 0.000 0.218 644 K C 2.128 178.792 176.600 0.107 0.000 1.053 644 K CA 2.109 58.427 56.287 0.053 0.000 0.946 644 K CB -0.205 32.338 32.500 0.072 0.000 0.723 644 K HN 0.426 nan 8.250 nan 0.000 0.446 645 E N 1.138 121.364 120.200 0.042 0.000 2.160 645 E HA -0.242 4.319 4.350 0.351 0.000 0.195 645 E C 1.920 178.593 176.600 0.122 0.000 0.991 645 E CA 1.308 57.739 56.400 0.052 0.000 0.810 645 E CB -0.075 29.608 29.700 -0.028 0.000 0.742 645 E HN 0.200 nan 8.360 nan 0.000 0.466 646 N N 0.115 118.837 118.700 0.036 0.000 2.039 646 N HA -0.198 4.753 4.740 0.351 0.000 0.193 646 N C 1.696 177.288 175.510 0.137 0.000 1.044 646 N CA 1.897 54.964 53.050 0.028 0.000 0.847 646 N CB -0.432 38.000 38.487 -0.091 0.000 1.030 646 N HN 0.456 nan 8.380 nan 0.000 0.422 647 H N -0.685 118.463 119.070 0.129 0.000 2.265 647 H HA -0.180 4.587 4.556 0.352 0.000 0.293 647 H C 1.845 177.268 175.328 0.158 0.000 1.089 647 H CA 1.699 57.818 56.048 0.117 0.000 1.244 647 H CB -0.377 29.456 29.762 0.118 0.000 1.355 647 H HN 0.187 nan 8.280 nan 0.000 0.485 648 F N 1.785 121.881 119.950 0.245 0.000 2.088 648 F HA -0.405 4.334 4.527 0.352 0.000 0.296 648 F C 2.319 178.227 175.800 0.180 0.000 1.161 648 F CA 2.126 60.268 58.000 0.237 0.000 1.236 648 F CB -0.231 38.901 39.000 0.219 0.000 0.936 648 F HN -0.064 nan 8.300 nan 0.000 0.528 649 K N 0.257 120.958 120.400 0.501 0.000 2.089 649 K HA -0.189 4.342 4.320 0.351 0.000 0.210 649 K C 1.848 178.530 176.600 0.137 0.000 1.048 649 K CA 1.710 58.211 56.287 0.357 0.000 0.926 649 K CB -1.178 31.492 32.500 0.283 0.000 0.714 649 K HN 0.338 nan 8.250 nan 0.000 0.448 650 V N 0.113 120.092 119.914 0.109 0.000 2.255 650 V HA -0.269 4.062 4.120 0.351 0.000 0.247 650 V C 2.229 178.290 176.094 -0.056 0.000 1.051 650 V CA 1.807 64.132 62.300 0.042 0.000 1.018 650 V CB -0.720 31.150 31.823 0.078 0.000 0.641 650 V HN 0.050 nan 8.190 nan 0.000 0.445 651 V N 0.653 120.500 119.914 -0.113 0.000 2.233 651 V HA -0.388 3.943 4.120 0.351 0.000 0.252 651 V C 2.321 178.199 176.094 -0.361 0.000 1.063 651 V CA 2.795 64.934 62.300 -0.270 0.000 1.032 651 V CB -1.048 30.535 31.823 -0.400 0.000 0.645 651 V HN 0.593 nan 8.190 nan 0.000 0.446 652 N N 0.003 118.439 118.700 -0.439 0.000 1.997 652 N HA -0.182 4.769 4.740 0.351 0.000 0.198 652 N C 1.773 177.135 175.510 -0.247 0.000 1.063 652 N CA 1.766 54.531 53.050 -0.475 0.000 0.860 652 N CB -0.486 37.580 38.487 -0.702 0.000 1.063 652 N HN 0.496 nan 8.380 nan 0.000 0.424 653 E N 0.370 120.497 120.200 -0.122 0.000 2.136 653 E HA -0.215 4.346 4.350 0.351 0.000 0.202 653 E C 1.923 178.489 176.600 -0.057 0.000 1.019 653 E CA 0.945 57.326 56.400 -0.031 0.000 0.819 653 E CB -0.740 28.970 29.700 0.017 0.000 0.739 653 E HN 0.227 nan 8.360 nan 0.000 0.458 654 S N 0.358 116.003 115.700 -0.091 0.000 2.440 654 S HA -0.111 4.570 4.470 0.351 0.000 0.240 654 S C 1.283 175.818 174.600 -0.108 0.000 1.014 654 S CA 0.245 58.388 58.200 -0.097 0.000 0.980 654 S CB -0.188 62.939 63.200 -0.122 0.000 0.775 654 S HN 0.228 nan 8.310 nan 0.000 0.499 655 L N 2.368 123.515 121.223 -0.126 0.000 2.919 655 L HA 0.159 4.710 4.340 0.351 0.000 0.242 655 L C 1.082 177.918 176.870 -0.057 0.000 1.366 655 L CA 0.116 54.889 54.840 -0.111 0.000 1.212 655 L CB -0.410 41.566 42.059 -0.139 0.000 1.604 655 L HN 0.322 nan 8.230 nan 0.000 0.433 656 S N -1.072 114.599 115.700 -0.048 0.000 2.572 656 S HA 0.054 4.734 4.470 0.351 0.000 0.228 656 S C 1.581 176.160 174.600 -0.035 0.000 0.963 656 S CA -0.584 57.603 58.200 -0.021 0.000 0.939 656 S CB 0.065 63.256 63.200 -0.015 0.000 0.804 656 S HN 0.735 nan 8.310 nan 0.000 0.480 657 R N 0.516 120.985 120.500 -0.052 0.000 2.161 657 R HA 0.308 4.858 4.340 0.351 0.000 0.213 657 R C 1.540 177.807 176.300 -0.054 0.000 1.055 657 R CA 0.390 56.452 56.100 -0.063 0.000 0.996 657 R CB -0.740 29.511 30.300 -0.081 0.000 0.901 657 R HN 0.356 nan 8.270 nan 0.000 0.456 658 L N 1.733 122.935 121.223 -0.036 0.000 2.700 658 L HA 0.076 4.627 4.340 0.351 0.000 0.240 658 L C 0.862 177.719 176.870 -0.022 0.000 1.162 658 L CA 0.833 55.660 54.840 -0.021 0.000 0.874 658 L CB -0.552 41.509 42.059 0.004 0.000 1.001 658 L HN 0.689 nan 8.230 nan 0.000 0.447 659 G N 0.692 109.476 108.800 -0.027 0.000 2.155 659 G HA2 -0.316 3.855 3.960 0.351 0.000 0.257 659 G HA3 -0.316 3.855 3.960 0.351 0.000 0.257 659 G C 0.298 175.196 174.900 -0.003 0.000 0.983 659 G CA -0.075 45.012 45.100 -0.023 0.000 0.676 659 G HN 0.365 nan 8.290 nan 0.000 0.528 660 I N 0.156 120.732 120.570 0.010 0.000 2.471 660 I HA 0.216 4.597 4.170 0.351 0.000 0.286 660 I C 1.220 177.368 176.117 0.052 0.000 1.079 660 I CA 0.028 61.347 61.300 0.032 0.000 1.398 660 I CB 1.049 39.075 38.000 0.043 0.000 1.403 660 I HN -0.110 nan 8.210 nan 0.000 0.530 661 K N 5.359 125.796 120.400 0.063 0.000 2.450 661 K HA 0.093 4.624 4.320 0.351 0.000 0.206 661 K C 1.259 177.913 176.600 0.090 0.000 1.148 661 K CA 0.282 56.606 56.287 0.062 0.000 1.014 661 K CB 0.565 33.085 32.500 0.034 0.000 0.966 661 K HN 0.581 nan 8.250 nan 0.000 0.566 662 K N -1.173 119.320 120.400 0.155 0.000 2.352 662 K HA 0.121 4.652 4.320 0.351 0.000 0.194 662 K C -0.039 176.696 176.600 0.225 0.000 1.038 662 K CA 0.194 56.597 56.287 0.194 0.000 1.023 662 K CB 0.267 32.920 32.500 0.256 0.000 0.840 662 K HN -0.194 nan 8.250 nan 0.000 0.519 663 Y N 1.549 121.881 120.300 0.054 0.000 2.485 663 Y HA 0.445 5.206 4.550 0.351 0.000 0.345 663 Y C -0.741 175.281 175.900 0.204 0.000 0.998 663 Y CA -1.455 56.729 58.100 0.141 0.000 1.059 663 Y CB 2.163 40.696 38.460 0.122 0.000 1.234 663 Y HN -0.164 nan 8.280 nan 0.000 0.461 664 K N 2.049 122.637 120.400 0.313 0.000 2.471 664 K HA 0.282 4.813 4.320 0.351 0.000 0.252 664 K C -1.891 174.799 176.600 0.150 0.000 0.938 664 K CA -0.792 55.616 56.287 0.202 0.000 0.796 664 K CB 0.997 33.542 32.500 0.076 0.000 1.161 664 K HN 0.709 nan 8.250 nan 0.000 0.425 665 Y N 3.688 123.914 120.300 -0.124 0.000 2.594 665 Y HA 0.224 4.985 4.550 0.352 0.000 0.344 665 Y C -0.810 174.945 175.900 -0.243 0.000 1.185 665 Y CA 0.198 58.005 58.100 -0.489 0.000 1.565 665 Y CB 0.250 38.364 38.460 -0.577 0.000 1.415 665 Y HN 0.456 nan 8.280 nan 0.000 0.488 666 S N 6.503 122.023 115.700 -0.299 0.000 2.713 666 S HA 0.522 5.202 4.470 0.351 0.000 0.283 666 S C -2.537 171.896 174.600 -0.279 0.000 1.161 666 S CA -1.388 56.688 58.200 -0.206 0.000 0.999 666 S CB 1.339 64.467 63.200 -0.119 0.000 1.039 666 S HN 0.463 nan 8.310 nan 0.000 0.548 667 P HA 0.300 nan 4.420 nan 0.000 0.276 667 P C -0.434 176.782 177.300 -0.140 0.000 1.244 667 P CA -0.521 62.486 63.100 -0.154 0.000 0.801 667 P CB 0.460 32.103 31.700 -0.095 0.000 1.006 668 L N 0.674 121.813 121.223 -0.141 0.000 3.141 668 L HA 0.495 5.046 4.340 0.351 0.000 0.267 668 L C -0.804 176.007 176.870 -0.099 0.000 1.281 668 L CA 0.343 55.108 54.840 -0.125 0.000 1.037 668 L CB -0.661 41.303 42.059 -0.158 0.000 1.407 668 L HN 0.240 nan 8.230 nan 0.000 0.566 669 T N -0.864 113.638 114.554 -0.088 0.000 3.343 669 T HA 0.135 4.696 4.350 0.351 0.000 0.383 669 T C 0.167 174.829 174.700 -0.064 0.000 1.615 669 T CA -0.509 61.548 62.100 -0.072 0.000 1.153 669 T CB 1.086 69.908 68.868 -0.076 0.000 1.434 669 T HN 0.175 nan 8.240 nan 0.000 0.476 670 N N 1.292 119.961 118.700 -0.052 0.000 2.461 670 N HA 0.213 5.164 4.740 0.351 0.000 0.188 670 N C 0.347 175.831 175.510 -0.044 0.000 1.134 670 N CA 0.132 53.156 53.050 -0.045 0.000 0.878 670 N CB -0.025 38.440 38.487 -0.037 0.000 0.972 670 N HN 0.476 nan 8.380 nan 0.000 0.456 671 L N 0.917 122.110 121.223 -0.049 0.000 2.456 671 L HA 0.075 4.626 4.340 0.351 0.000 0.272 671 L C 1.096 177.934 176.870 -0.053 0.000 1.189 671 L CA -0.295 54.516 54.840 -0.047 0.000 0.846 671 L CB 0.416 42.446 42.059 -0.049 0.000 1.111 671 L HN 0.182 nan 8.230 nan 0.000 0.475 672 N N 1.306 119.978 118.700 -0.047 0.000 2.300 672 N HA -0.104 4.847 4.740 0.351 0.000 0.179 672 N C 0.857 176.331 175.510 -0.060 0.000 1.016 672 N CA 1.112 54.133 53.050 -0.048 0.000 0.876 672 N CB 0.189 38.654 38.487 -0.037 0.000 0.979 672 N HN 0.623 nan 8.380 nan 0.000 0.432 673 E N 0.037 120.201 120.200 -0.060 0.000 2.463 673 E HA 0.063 4.623 4.350 0.351 0.000 0.193 673 E C -0.064 176.478 176.600 -0.097 0.000 1.041 673 E CA -0.331 56.026 56.400 -0.072 0.000 0.879 673 E CB 0.397 30.066 29.700 -0.051 0.000 0.997 673 E HN 0.159 nan 8.360 nan 0.000 0.478 674 C N 0.584 119.824 119.300 -0.100 0.000 2.534 674 C HA 0.306 4.977 4.460 0.351 0.000 0.385 674 C C 1.109 176.003 174.990 -0.159 0.000 1.264 674 C CA -0.319 58.633 59.018 -0.110 0.000 2.342 674 C CB 0.161 27.846 27.740 -0.091 0.000 2.564 674 C HN 0.292 nan 8.230 nan 0.000 0.603 675 R N 1.846 122.249 120.500 -0.161 0.000 2.549 675 R HA 0.197 4.748 4.340 0.351 0.000 0.361 675 R C -0.012 176.252 176.300 -0.059 0.000 0.969 675 R CA -0.135 55.841 56.100 -0.208 0.000 1.158 675 R CB -0.093 30.020 30.300 -0.311 0.000 1.456 675 R HN 0.705 nan 8.270 nan 0.000 0.540 676 K N 1.572 121.919 120.400 -0.089 0.000 2.448 676 K HA 0.048 4.579 4.320 0.351 0.000 0.278 676 K C -0.324 176.173 176.600 -0.172 0.000 1.009 676 K CA 0.455 56.653 56.287 -0.148 0.000 0.995 676 K CB 0.376 32.773 32.500 -0.173 0.000 0.917 676 K HN -0.039 nan 8.250 nan 0.000 0.481 677 Y N -1.762 118.375 120.300 -0.272 0.000 2.602 677 Y HA 0.640 5.401 4.550 0.352 0.000 0.342 677 Y C -0.260 175.400 175.900 -0.399 0.000 1.029 677 Y CA -1.222 56.588 58.100 -0.483 0.000 1.080 677 Y CB 1.683 39.580 38.460 -0.938 0.000 1.284 677 Y HN 0.410 nan 8.280 nan 0.000 0.485 678 T N 0.734 115.109 114.554 -0.298 0.000 2.912 678 T HA 0.371 4.931 4.350 0.351 0.000 0.299 678 T C -2.181 172.392 174.700 -0.212 0.000 1.052 678 T CA -0.550 61.434 62.100 -0.192 0.000 0.996 678 T CB 0.562 69.358 68.868 -0.119 0.000 1.070 678 T HN 0.670 nan 8.240 nan 0.000 0.465 679 W N 4.594 125.930 121.300 0.061 0.000 2.226 679 W HA 0.329 5.199 4.660 0.351 0.000 0.379 679 W C 0.658 177.145 176.519 -0.054 0.000 0.923 679 W CA -0.829 56.569 57.345 0.087 0.000 1.524 679 W CB 0.291 29.870 29.460 0.197 0.000 1.552 679 W HN 0.663 nan 8.180 nan 0.000 0.337 680 E N 2.740 122.977 120.200 0.062 0.000 2.257 680 E HA 0.156 4.717 4.350 0.351 0.000 0.278 680 E C -0.314 176.123 176.600 -0.271 0.000 1.049 680 E CA -0.525 55.828 56.400 -0.079 0.000 0.876 680 E CB 0.701 30.363 29.700 -0.065 0.000 1.035 680 E HN 0.241 nan 8.360 nan 0.000 0.419 681 K N 5.571 125.733 120.400 -0.396 0.000 2.338 681 K HA 0.215 4.746 4.320 0.351 0.000 0.290 681 K C 0.461 176.896 176.600 -0.276 0.000 1.069 681 K CA -0.198 55.733 56.287 -0.594 0.000 0.941 681 K CB 0.089 32.318 32.500 -0.452 0.000 1.023 681 K HN 0.577 nan 8.250 nan 0.000 0.477 682 I N 0.000 120.442 120.570 -0.214 0.000 2.984 682 I HA 0.000 4.381 4.170 0.351 0.000 0.288 682 I CA 0.000 61.243 61.300 -0.094 0.000 1.566 682 I CB 0.000 37.972 38.000 -0.046 0.000 1.214 682 I HN 0.000 nan 8.210 nan 0.000 0.494