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 2oqe_1_D DATA FIRST_RESID 17 DATA SEQUENCE APARPAHPLD PLSTAEIKAA TNTVKSYFAG KKISFNTVTL REPARKAYIQ DATA SEQUENCE WKEQGGPLPP RLAYYVILEA GKPGVKEGLV DLASLSVIET RALETVQPIL DATA SEQUENCE TVEDLCSTEE VIRNDPAVIE QCVLSGIPAN EMHKVYCDPW TIGYDERWGT DATA SEQUENCE GKRLQQALVY YRSDEDDSQY SHPLDFCPIV DTEEKKVIFI DIPNRRRKVS DATA SEQUENCE KHKHANFYPK HMIEKVGAMR PEAPPINVTQ PEGVSFKMTG NVMEWSNFKF DATA SEQUENCE HIGFNYREGI VLSDVSYNDH GNVRPIFHRI SLSEMIVPYG SPEFPHQRKH DATA SEQUENCE ALDIGEYGAG YMTNPLSLGC DCKGVIHYLD AHFSDRAGDP ITVKNAVCIH DATA SEQUENCE EEDDGLLFKH SDFRDNFATS LVTRATKLVV SQIFTAANXE YCLYWVFMQD DATA SEQUENCE GAIRLDIRLT GILNTYILGD DEEAGPWGTR VYPNVNAHNH QHLFSLRIDP DATA SEQUENCE RIDGDGNSAA ACDAKSSPYP LGSPENMYGN AFYSEKTTFK TVKDSLTNYE DATA SEQUENCE SATGRSWDIF NPNKVNPYSG KPPSYKLVST QCPPLLAKEG SLVAKRAPWA DATA SEQUENCE SHSVNVVPYK DNRLYPSGDH VPQWSGDGVR GMREWIGDGS ENIDNTDILF DATA SEQUENCE FHTFGITHFP APEDFPLMPA EPITLMLRPR HFFTENPGLD IQPSYAMTTS DATA SEQUENCE EAKRAV 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 17 A HA 0.000 nan 4.320 nan 0.000 0.244 17 A C 0.000 177.586 177.584 0.003 0.000 1.274 17 A CA 0.000 52.040 52.037 0.005 0.000 0.836 17 A CB 0.000 19.002 19.000 0.003 0.000 0.831 18 P HA 0.548 nan 4.420 nan 0.000 0.271 18 P C 0.030 177.333 177.300 0.004 0.000 1.216 18 P CA 0.677 63.777 63.100 -0.000 0.000 0.776 18 P CB 0.904 32.603 31.700 -0.002 0.000 0.881 19 A N 4.168 126.991 122.820 0.004 0.000 2.483 19 A HA 0.148 4.472 4.320 0.006 0.000 0.238 19 A C 0.707 178.299 177.584 0.013 0.000 1.070 19 A CA -0.350 51.693 52.037 0.010 0.000 0.770 19 A CB -0.007 19.000 19.000 0.011 0.000 1.008 19 A HN 0.538 nan 8.150 nan 0.000 0.497 20 R N 2.028 122.538 120.500 0.015 0.000 2.641 20 R HA 0.324 4.668 4.340 0.006 0.000 0.269 20 R C -2.089 174.228 176.300 0.028 0.000 1.074 20 R CA -1.120 54.989 56.100 0.015 0.000 1.133 20 R CB -0.183 30.122 30.300 0.007 0.000 1.029 20 R HN 0.644 nan 8.270 nan 0.000 0.488 21 P HA 0.079 nan 4.420 nan 0.000 0.275 21 P C -0.077 177.273 177.300 0.084 0.000 1.266 21 P CA -0.292 62.847 63.100 0.065 0.000 0.793 21 P CB 0.629 32.377 31.700 0.080 0.000 1.074 22 A N -0.335 122.560 122.820 0.125 0.000 2.070 22 A HA -0.103 4.221 4.320 0.006 0.000 0.220 22 A C 1.036 178.762 177.584 0.237 0.000 1.159 22 A CA 1.389 53.524 52.037 0.164 0.000 0.656 22 A CB -0.780 18.320 19.000 0.168 0.000 0.800 22 A HN 0.724 nan 8.150 nan 0.000 0.453 23 H N -2.458 116.666 119.070 0.089 0.000 3.087 23 H HA 0.266 4.825 4.556 0.006 0.000 0.348 23 H C -2.795 172.484 175.328 -0.081 0.000 1.092 23 H CA -1.256 54.837 56.048 0.075 0.000 1.285 23 H CB 1.854 31.747 29.762 0.218 0.000 1.875 23 H HN -0.100 nan 8.280 nan 0.000 0.512 24 P HA -0.045 nan 4.420 nan 0.000 0.221 24 P C 1.217 178.490 177.300 -0.044 0.000 1.145 24 P CA 1.010 63.949 63.100 -0.269 0.000 0.795 24 P CB 0.319 31.696 31.700 -0.539 0.000 0.775 25 L N -2.044 119.245 121.223 0.110 0.000 2.607 25 L HA 0.159 4.502 4.340 0.006 0.000 0.228 25 L C 0.262 177.090 176.870 -0.071 0.000 1.123 25 L CA -0.237 54.490 54.840 -0.189 0.000 0.890 25 L CB -0.402 41.265 42.059 -0.655 0.000 1.103 25 L HN -0.154 nan 8.230 nan 0.000 0.468 26 D N 1.828 122.323 120.400 0.159 0.000 2.455 26 D HA 0.118 4.761 4.640 0.006 0.000 0.241 26 D C -2.037 174.371 176.300 0.179 0.000 1.138 26 D CA -1.052 53.106 54.000 0.264 0.000 0.877 26 D CB 0.647 41.585 40.800 0.229 0.000 1.187 26 D HN -0.075 nan 8.370 nan 0.000 0.451 27 P HA 0.017 nan 4.420 nan 0.000 0.269 27 P C -0.007 177.391 177.300 0.163 0.000 1.217 27 P CA -0.221 62.993 63.100 0.189 0.000 0.783 27 P CB 0.500 32.333 31.700 0.221 0.000 0.898 28 L N 0.815 122.133 121.223 0.158 0.000 2.490 28 L HA 0.045 4.389 4.340 0.006 0.000 0.274 28 L C 1.281 178.212 176.870 0.102 0.000 1.201 28 L CA 0.054 54.964 54.840 0.118 0.000 0.869 28 L CB -0.192 41.937 42.059 0.117 0.000 1.123 28 L HN 0.498 nan 8.230 nan 0.000 0.484 29 S N 0.269 115.989 115.700 0.033 0.000 2.608 29 S HA 0.081 4.555 4.470 0.006 0.000 0.261 29 S C 1.350 175.865 174.600 -0.142 0.000 1.314 29 S CA -0.187 57.969 58.200 -0.074 0.000 0.992 29 S CB 1.244 64.406 63.200 -0.062 0.000 0.935 29 S HN 0.783 nan 8.310 nan 0.000 0.564 30 T N -1.043 113.321 114.554 -0.317 0.000 2.759 30 T HA -0.128 4.226 4.350 0.006 0.000 0.269 30 T C 1.962 176.594 174.700 -0.114 0.000 1.042 30 T CA 1.218 63.185 62.100 -0.220 0.000 1.140 30 T CB -1.127 67.583 68.868 -0.263 0.000 0.864 30 T HN 0.914 nan 8.240 nan 0.000 0.455 31 A N 1.744 124.505 122.820 -0.099 0.000 1.933 31 A HA -0.067 4.257 4.320 0.006 0.000 0.218 31 A C 2.329 179.888 177.584 -0.042 0.000 1.175 31 A CA 1.562 53.563 52.037 -0.060 0.000 0.628 31 A CB -0.650 18.322 19.000 -0.047 0.000 0.814 31 A HN 0.663 nan 8.150 nan 0.000 0.444 32 E N -0.444 119.737 120.200 -0.032 0.000 2.106 32 E HA -0.116 4.238 4.350 0.006 0.000 0.192 32 E C 1.848 178.442 176.600 -0.009 0.000 0.984 32 E CA 1.034 57.429 56.400 -0.008 0.000 0.806 32 E CB -0.240 29.468 29.700 0.014 0.000 0.750 32 E HN 0.701 nan 8.360 nan 0.000 0.458 33 I N 1.035 121.595 120.570 -0.016 0.000 2.142 33 I HA -0.279 3.895 4.170 0.006 0.000 0.240 33 I C 2.461 178.528 176.117 -0.083 0.000 1.078 33 I CA 1.067 62.352 61.300 -0.026 0.000 1.343 33 I CB -0.110 37.888 38.000 -0.003 0.000 1.046 33 I HN -0.038 nan 8.210 nan 0.000 0.405 34 K N 1.397 121.749 120.400 -0.081 0.000 2.097 34 K HA -0.124 4.199 4.320 0.006 0.000 0.206 34 K C 2.029 178.578 176.600 -0.085 0.000 1.049 34 K CA 1.627 57.855 56.287 -0.098 0.000 0.933 34 K CB -0.376 32.081 32.500 -0.073 0.000 0.717 34 K HN 0.300 nan 8.250 nan 0.000 0.442 35 A N 0.445 123.233 122.820 -0.054 0.000 1.902 35 A HA -0.078 4.246 4.320 0.006 0.000 0.217 35 A C 2.366 179.929 177.584 -0.035 0.000 1.181 35 A CA 2.049 54.066 52.037 -0.033 0.000 0.623 35 A CB -1.060 17.931 19.000 -0.015 0.000 0.818 35 A HN 0.419 nan 8.150 nan 0.000 0.443 36 A N -0.329 122.467 122.820 -0.039 0.000 1.898 36 A HA -0.094 4.230 4.320 0.006 0.000 0.216 36 A C 2.465 179.999 177.584 -0.084 0.000 1.181 36 A CA 2.550 54.571 52.037 -0.027 0.000 0.620 36 A CB -1.376 17.632 19.000 0.013 0.000 0.819 36 A HN 0.788 nan 8.150 nan 0.000 0.442 37 T N -2.142 112.281 114.554 -0.218 0.000 2.904 37 T HA -0.120 4.233 4.350 0.006 0.000 0.267 37 T C 1.651 176.273 174.700 -0.130 0.000 1.059 37 T CA 1.362 63.201 62.100 -0.435 0.000 1.137 37 T CB -0.527 67.756 68.868 -0.975 0.000 0.879 37 T HN 0.349 nan 8.240 nan 0.000 0.467 38 N N 1.473 120.123 118.700 -0.084 0.000 2.084 38 N HA -0.062 4.682 4.740 0.006 0.000 0.190 38 N C 2.079 177.608 175.510 0.032 0.000 1.030 38 N CA 1.873 54.917 53.050 -0.010 0.000 0.849 38 N CB -1.065 37.412 38.487 -0.017 0.000 1.012 38 N HN 0.489 nan 8.380 nan 0.000 0.423 39 T N 0.748 115.313 114.554 0.017 0.000 2.746 39 T HA -0.039 4.315 4.350 0.006 0.000 0.267 39 T C 2.110 176.844 174.700 0.057 0.000 1.039 39 T CA 0.846 62.965 62.100 0.032 0.000 1.142 39 T CB -0.228 68.649 68.868 0.015 0.000 0.866 39 T HN -0.013 nan 8.240 nan 0.000 0.444 40 V N 1.199 121.145 119.914 0.053 0.000 2.379 40 V HA -0.113 4.011 4.120 0.006 0.000 0.245 40 V C 2.419 178.680 176.094 0.279 0.000 1.044 40 V CA 1.426 63.774 62.300 0.080 0.000 1.036 40 V CB -0.459 31.315 31.823 -0.081 0.000 0.664 40 V HN 0.426 nan 8.190 nan 0.000 0.453 41 K N 0.274 120.843 120.400 0.281 0.000 2.074 41 K HA -0.169 4.154 4.320 0.006 0.000 0.209 41 K C 2.381 179.086 176.600 0.174 0.000 1.048 41 K CA 1.867 58.300 56.287 0.242 0.000 0.926 41 K CB -0.300 32.319 32.500 0.198 0.000 0.713 41 K HN 0.381 nan 8.250 nan 0.000 0.444 42 S N -0.020 115.756 115.700 0.126 0.000 2.387 42 S HA -0.128 4.346 4.470 0.006 0.000 0.226 42 S C 1.643 176.272 174.600 0.047 0.000 1.026 42 S CA 0.746 58.991 58.200 0.074 0.000 0.972 42 S CB -0.280 62.953 63.200 0.054 0.000 0.814 42 S HN 0.333 nan 8.310 nan 0.000 0.477 43 Y N 1.180 121.432 120.300 -0.081 0.000 2.181 43 Y HA -0.019 4.534 4.550 0.006 0.000 0.288 43 Y C 0.655 176.331 175.900 -0.374 0.000 1.146 43 Y CA 1.234 59.179 58.100 -0.258 0.000 1.164 43 Y CB -0.124 38.105 38.460 -0.385 0.000 0.982 43 Y HN 0.178 nan 8.280 nan 0.000 0.515 44 F N 1.135 121.142 119.950 0.095 0.000 2.974 44 F HA 0.417 4.947 4.527 0.006 0.000 0.292 44 F C 0.839 176.627 175.800 -0.021 0.000 1.209 44 F CA -0.408 57.600 58.000 0.013 0.000 1.366 44 F CB -0.871 38.156 39.000 0.045 0.000 1.033 44 F HN 0.006 nan 8.300 nan 0.000 0.516 45 A N 0.224 123.069 122.820 0.041 0.000 2.546 45 A HA 0.394 4.717 4.320 0.006 0.000 0.243 45 A C 1.557 179.159 177.584 0.031 0.000 1.063 45 A CA 0.879 52.933 52.037 0.028 0.000 0.757 45 A CB -0.539 18.449 19.000 -0.020 0.000 0.991 45 A HN 1.117 nan 8.150 nan 0.000 0.503 46 G N 1.779 110.602 108.800 0.038 0.000 2.199 46 G HA2 -0.204 3.760 3.960 0.006 0.000 0.254 46 G HA3 -0.204 3.760 3.960 0.006 0.000 0.254 46 G C 0.236 175.158 174.900 0.037 0.000 0.982 46 G CA 0.553 45.670 45.100 0.028 0.000 0.632 46 G HN 0.786 nan 8.290 nan 0.000 0.529 47 K N 0.565 121.003 120.400 0.064 0.000 2.138 47 K HA 0.415 4.739 4.320 0.006 0.000 0.263 47 K C -0.078 176.531 176.600 0.015 0.000 0.965 47 K CA -0.779 55.537 56.287 0.049 0.000 0.868 47 K CB 2.027 34.585 32.500 0.097 0.000 1.083 47 K HN 0.248 nan 8.250 nan 0.000 0.443 48 K N 4.763 125.153 120.400 -0.016 0.000 2.250 48 K HA 0.183 4.506 4.320 0.006 0.000 0.285 48 K C -0.018 176.530 176.600 -0.087 0.000 1.097 48 K CA -0.256 56.011 56.287 -0.033 0.000 0.913 48 K CB -0.142 32.343 32.500 -0.025 0.000 1.179 48 K HN 0.624 nan 8.250 nan 0.000 0.462 49 I N 0.323 120.824 120.570 -0.116 0.000 2.797 49 I HA 0.575 4.749 4.170 0.006 0.000 0.307 49 I C -0.673 175.317 176.117 -0.212 0.000 1.033 49 I CA -0.774 60.382 61.300 -0.239 0.000 1.071 49 I CB 2.208 39.962 38.000 -0.410 0.000 1.255 49 I HN 0.489 nan 8.210 nan 0.000 0.445 50 S N 2.846 118.377 115.700 -0.282 0.000 2.548 50 S HA 0.663 5.137 4.470 0.006 0.000 0.286 50 S C -1.082 173.335 174.600 -0.305 0.000 1.098 50 S CA -0.647 57.449 58.200 -0.173 0.000 0.930 50 S CB 1.362 64.520 63.200 -0.069 0.000 1.070 50 S HN 0.509 nan 8.310 nan 0.000 0.480 51 F N 2.844 122.770 119.950 -0.040 0.000 2.411 51 F HA 0.464 4.995 4.527 0.006 0.000 0.350 51 F C 1.760 177.545 175.800 -0.025 0.000 1.114 51 F CA -0.565 57.417 58.000 -0.029 0.000 1.135 51 F CB 1.293 40.285 39.000 -0.015 0.000 1.120 51 F HN 0.854 nan 8.300 nan 0.000 0.495 52 N N 1.067 119.825 118.700 0.096 0.000 2.436 52 N HA 0.014 4.757 4.740 0.006 0.000 0.178 52 N C -0.379 175.190 175.510 0.098 0.000 1.026 52 N CA 0.726 53.814 53.050 0.063 0.000 0.880 52 N CB 0.590 39.087 38.487 0.017 0.000 1.061 52 N HN 0.543 nan 8.380 nan 0.000 0.434 53 T N 0.861 115.451 114.554 0.060 0.000 3.032 53 T HA 0.457 4.811 4.350 0.006 0.000 0.312 53 T C -1.237 173.460 174.700 -0.004 0.000 1.078 53 T CA -0.499 61.547 62.100 -0.089 0.000 1.028 53 T CB 2.630 71.297 68.868 -0.336 0.000 1.091 53 T HN -0.135 nan 8.240 nan 0.000 0.457 54 V N 2.752 122.682 119.914 0.026 0.000 2.447 54 V HA 0.779 4.903 4.120 0.006 0.000 0.292 54 V C -0.114 176.040 176.094 0.101 0.000 1.021 54 V CA -0.481 61.871 62.300 0.088 0.000 0.850 54 V CB 1.620 33.495 31.823 0.087 0.000 1.005 54 V HN 0.989 nan 8.190 nan 0.000 0.426 55 T N 4.047 118.683 114.554 0.137 0.000 2.868 55 T HA 0.588 4.942 4.350 0.006 0.000 0.306 55 T C -1.174 173.662 174.700 0.226 0.000 1.224 55 T CA -0.536 61.685 62.100 0.202 0.000 1.012 55 T CB 1.607 70.609 68.868 0.223 0.000 1.221 55 T HN 0.565 nan 8.240 nan 0.000 0.499 56 L N 3.339 124.684 121.223 0.204 0.000 2.540 56 L HA 0.493 4.836 4.340 0.006 0.000 0.276 56 L C 0.295 177.255 176.870 0.151 0.000 1.212 56 L CA 0.161 55.095 54.840 0.158 0.000 0.893 56 L CB 0.306 42.442 42.059 0.128 0.000 1.138 56 L HN 0.606 nan 8.230 nan 0.000 0.491 57 R N 4.621 125.198 120.500 0.128 0.000 2.196 57 R HA 0.281 4.624 4.340 0.006 0.000 0.340 57 R C -0.482 175.841 176.300 0.038 0.000 1.043 57 R CA -0.052 56.095 56.100 0.078 0.000 0.883 57 R CB -0.009 30.345 30.300 0.090 0.000 1.078 57 R HN 0.742 nan 8.270 nan 0.000 0.462 58 E N 5.440 125.647 120.200 0.011 0.000 2.398 58 E HA 0.123 4.476 4.350 0.006 0.000 0.263 58 E C -1.927 174.676 176.600 0.005 0.000 1.046 58 E CA -1.533 54.863 56.400 -0.007 0.000 0.908 58 E CB 0.320 29.998 29.700 -0.037 0.000 0.963 58 E HN 0.534 nan 8.360 nan 0.000 0.431 59 P HA -0.025 nan 4.420 nan 0.000 0.268 59 P C -0.963 176.382 177.300 0.075 0.000 1.208 59 P CA -0.091 63.034 63.100 0.041 0.000 0.777 59 P CB 0.419 32.158 31.700 0.065 0.000 0.875 60 A N 2.393 125.256 122.820 0.071 0.000 2.561 60 A HA -0.061 4.263 4.320 0.006 0.000 0.234 60 A C 1.832 179.481 177.584 0.109 0.000 1.055 60 A CA 0.098 52.187 52.037 0.087 0.000 0.756 60 A CB -0.385 18.654 19.000 0.064 0.000 0.986 60 A HN 0.678 nan 8.150 nan 0.000 0.505 61 R N 1.417 121.966 120.500 0.082 0.000 2.096 61 R HA -0.183 4.161 4.340 0.006 0.000 0.240 61 R C 1.769 178.021 176.300 -0.080 0.000 1.139 61 R CA 2.266 58.308 56.100 -0.096 0.000 0.952 61 R CB -0.231 29.813 30.300 -0.427 0.000 0.854 61 R HN 0.845 nan 8.270 nan 0.000 0.436 62 K N -0.379 119.992 120.400 -0.048 0.000 2.057 62 K HA -0.089 4.234 4.320 0.006 0.000 0.207 62 K C 2.102 178.722 176.600 0.033 0.000 1.049 62 K CA 1.281 57.553 56.287 -0.026 0.000 0.931 62 K CB -0.121 32.371 32.500 -0.014 0.000 0.714 62 K HN 0.251 nan 8.250 nan 0.000 0.440 63 A N 0.729 123.587 122.820 0.064 0.000 1.902 63 A HA -0.209 4.114 4.320 0.006 0.000 0.217 63 A C 2.056 179.717 177.584 0.130 0.000 1.181 63 A CA 1.291 53.376 52.037 0.080 0.000 0.623 63 A CB -0.727 18.311 19.000 0.064 0.000 0.818 63 A HN 0.418 nan 8.150 nan 0.000 0.443 64 Y N 0.455 120.801 120.300 0.077 0.000 2.114 64 Y HA -0.184 4.369 4.550 0.006 0.000 0.284 64 Y C 2.035 178.079 175.900 0.241 0.000 1.143 64 Y CA 1.930 60.127 58.100 0.161 0.000 1.135 64 Y CB -0.294 38.274 38.460 0.181 0.000 0.980 64 Y HN 0.253 nan 8.280 nan 0.000 0.499 65 I N 0.218 120.889 120.570 0.169 0.000 2.226 65 I HA -0.362 3.812 4.170 0.006 0.000 0.245 65 I C 2.371 178.468 176.117 -0.034 0.000 1.100 65 I CA 1.701 63.038 61.300 0.062 0.000 1.374 65 I CB -0.495 37.532 38.000 0.044 0.000 1.057 65 I HN 0.367 nan 8.210 nan 0.000 0.413 66 Q N -0.585 119.214 119.800 -0.001 0.000 2.119 66 Q HA -0.256 4.087 4.340 0.006 0.000 0.201 66 Q C 1.998 177.984 176.000 -0.022 0.000 0.972 66 Q CA 1.858 57.653 55.803 -0.014 0.000 0.847 66 Q CB -0.262 28.483 28.738 0.012 0.000 0.903 66 Q HN 0.639 nan 8.270 nan 0.000 0.433 67 W N 1.715 122.898 121.300 -0.195 0.000 2.358 67 W HA -0.157 4.506 4.660 0.006 0.000 0.303 67 W C 2.016 178.374 176.519 -0.269 0.000 1.208 67 W CA 1.207 58.417 57.345 -0.225 0.000 1.274 67 W CB 0.053 29.356 29.460 -0.262 0.000 1.138 67 W HN -0.157 nan 8.180 nan 0.000 0.515 68 K N 0.305 120.406 120.400 -0.499 0.000 2.167 68 K HA -0.112 4.211 4.320 0.006 0.000 0.203 68 K C 1.239 177.562 176.600 -0.463 0.000 1.052 68 K CA 1.744 57.585 56.287 -0.743 0.000 0.956 68 K CB -0.039 32.178 32.500 -0.471 0.000 0.735 68 K HN 0.343 nan 8.250 nan 0.000 0.451 69 E N -1.144 118.889 120.200 -0.278 0.000 2.508 69 E HA 0.049 4.403 4.350 0.006 0.000 0.217 69 E C 0.545 177.059 176.600 -0.143 0.000 0.896 69 E CA 0.010 56.307 56.400 -0.172 0.000 1.118 69 E CB 0.884 30.529 29.700 -0.090 0.000 1.133 69 E HN 0.191 nan 8.360 nan 0.000 0.526 70 Q N -0.236 119.476 119.800 -0.147 0.000 2.112 70 Q HA 0.205 4.548 4.340 0.006 0.000 0.222 70 Q C 0.350 176.287 176.000 -0.105 0.000 0.798 70 Q CA 0.171 55.913 55.803 -0.102 0.000 1.060 70 Q CB 1.756 30.455 28.738 -0.064 0.000 1.184 70 Q HN 0.299 nan 8.270 nan 0.000 0.475 71 G N 0.851 109.553 108.800 -0.163 0.000 2.225 71 G HA2 -0.284 3.679 3.960 0.006 0.000 0.267 71 G HA3 -0.284 3.679 3.960 0.006 0.000 0.267 71 G C 0.434 175.289 174.900 -0.075 0.000 1.024 71 G CA 0.024 45.037 45.100 -0.145 0.000 0.784 71 G HN 0.487 nan 8.290 nan 0.000 0.507 72 G N -0.048 108.723 108.800 -0.049 0.000 2.651 72 G HA2 0.610 4.574 3.960 0.006 0.000 0.260 72 G HA3 0.610 4.574 3.960 0.006 0.000 0.260 72 G C -1.296 173.684 174.900 0.133 0.000 1.216 72 G CA -0.328 44.794 45.100 0.038 0.000 0.913 72 G HN 0.330 nan 8.290 nan 0.000 0.535 73 P HA 0.152 nan 4.420 nan 0.000 0.274 73 P C -0.318 177.089 177.300 0.178 0.000 1.231 73 P CA -0.679 62.502 63.100 0.136 0.000 0.790 73 P CB 1.079 32.819 31.700 0.066 0.000 0.951 74 L N 5.031 126.328 121.223 0.123 0.000 2.477 74 L HA 0.214 4.558 4.340 0.006 0.000 0.272 74 L C -2.081 174.696 176.870 -0.155 0.000 1.157 74 L CA -1.345 53.407 54.840 -0.147 0.000 0.889 74 L CB -0.936 41.062 42.059 -0.103 0.000 1.158 74 L HN 0.289 nan 8.230 nan 0.000 0.473 75 P HA 0.155 nan 4.420 nan 0.000 0.268 75 P C -2.502 174.738 177.300 -0.099 0.000 1.208 75 P CA -0.728 62.299 63.100 -0.122 0.000 0.777 75 P CB -0.304 31.325 31.700 -0.118 0.000 0.875 76 P HA 0.166 nan 4.420 nan 0.000 0.269 76 P C -0.381 176.903 177.300 -0.026 0.000 1.209 76 P CA -0.091 62.994 63.100 -0.026 0.000 0.776 76 P CB 0.398 32.096 31.700 -0.004 0.000 0.876 77 R N 2.963 123.454 120.500 -0.016 0.000 2.220 77 R HA 0.369 4.713 4.340 0.006 0.000 0.340 77 R C -0.872 175.443 176.300 0.026 0.000 1.076 77 R CA 0.102 56.201 56.100 -0.002 0.000 0.920 77 R CB -0.916 29.383 30.300 -0.001 0.000 1.062 77 R HN 0.433 nan 8.270 nan 0.000 0.469 78 L N 2.879 124.126 121.223 0.040 0.000 2.346 78 L HA 0.758 5.101 4.340 0.006 0.000 0.274 78 L C -0.293 176.638 176.870 0.102 0.000 1.007 78 L CA -1.290 53.591 54.840 0.068 0.000 0.818 78 L CB 2.178 44.276 42.059 0.065 0.000 1.284 78 L HN 0.650 nan 8.230 nan 0.000 0.424 79 A N 1.994 124.894 122.820 0.132 0.000 2.303 79 A HA 0.535 4.859 4.320 0.006 0.000 0.320 79 A C -1.478 176.254 177.584 0.247 0.000 1.192 79 A CA -0.376 51.767 52.037 0.177 0.000 0.821 79 A CB 0.821 19.914 19.000 0.155 0.000 1.188 79 A HN 0.594 nan 8.150 nan 0.000 0.492 80 Y N 3.524 123.890 120.300 0.110 0.000 2.313 80 Y HA 0.549 5.102 4.550 0.006 0.000 0.332 80 Y C -0.710 175.267 175.900 0.128 0.000 1.071 80 Y CA -0.771 57.368 58.100 0.065 0.000 1.169 80 Y CB 0.618 39.100 38.460 0.037 0.000 1.192 80 Y HN 0.686 nan 8.280 nan 0.000 0.487 81 Y N 3.568 123.585 120.300 -0.472 0.000 2.536 81 Y HA 0.818 5.372 4.550 0.006 0.000 0.347 81 Y C -1.954 173.582 175.900 -0.607 0.000 1.000 81 Y CA -1.668 56.200 58.100 -0.387 0.000 1.051 81 Y CB 1.159 39.607 38.460 -0.021 0.000 1.259 81 Y HN 0.329 nan 8.280 nan 0.000 0.468 82 V N 5.195 124.975 119.914 -0.224 0.000 2.531 82 V HA 0.558 4.682 4.120 0.006 0.000 0.301 82 V C -0.217 175.854 176.094 -0.039 0.000 1.034 82 V CA -0.771 61.430 62.300 -0.166 0.000 0.865 82 V CB 1.370 33.128 31.823 -0.108 0.000 0.995 82 V HN 0.861 nan 8.190 nan 0.000 0.424 83 I N 2.320 122.828 120.570 -0.104 0.000 2.892 83 I HA 0.805 4.979 4.170 0.006 0.000 0.306 83 I C -1.448 174.516 176.117 -0.256 0.000 1.078 83 I CA -1.093 60.035 61.300 -0.285 0.000 1.032 83 I CB 2.171 39.845 38.000 -0.543 0.000 1.229 83 I HN 0.315 nan 8.210 nan 0.000 0.435 84 L N 2.573 123.639 121.223 -0.262 0.000 2.330 84 L HA 0.568 4.912 4.340 0.006 0.000 0.271 84 L C -0.219 176.507 176.870 -0.240 0.000 1.013 84 L CA -0.188 54.529 54.840 -0.206 0.000 0.816 84 L CB 1.611 43.587 42.059 -0.138 0.000 1.287 84 L HN 0.721 nan 8.230 nan 0.000 0.435 85 E N 1.151 121.235 120.200 -0.194 0.000 2.222 85 E HA 0.690 5.044 4.350 0.006 0.000 0.267 85 E C -0.991 175.546 176.600 -0.106 0.000 0.884 85 E CA -1.072 55.225 56.400 -0.172 0.000 0.764 85 E CB 1.747 31.335 29.700 -0.186 0.000 1.169 85 E HN 0.721 nan 8.360 nan 0.000 0.413 86 A N 2.659 125.428 122.820 -0.084 0.000 2.546 86 A HA 0.396 4.720 4.320 0.006 0.000 0.243 86 A C 1.213 178.772 177.584 -0.042 0.000 1.063 86 A CA 0.914 52.919 52.037 -0.054 0.000 0.757 86 A CB -0.523 18.453 19.000 -0.041 0.000 0.991 86 A HN 1.147 nan 8.150 nan 0.000 0.503 87 G N 1.593 110.373 108.800 -0.033 0.000 2.189 87 G HA2 -0.219 3.744 3.960 0.006 0.000 0.267 87 G HA3 -0.219 3.744 3.960 0.006 0.000 0.267 87 G C 0.222 175.109 174.900 -0.023 0.000 0.975 87 G CA 0.804 45.890 45.100 -0.022 0.000 0.644 87 G HN 0.751 nan 8.290 nan 0.000 0.537 88 K N 1.022 121.401 120.400 -0.035 0.000 2.221 88 K HA 0.514 4.838 4.320 0.006 0.000 0.258 88 K C -2.295 174.283 176.600 -0.037 0.000 0.944 88 K CA -1.696 54.571 56.287 -0.034 0.000 0.823 88 K CB 2.512 34.983 32.500 -0.048 0.000 1.113 88 K HN 0.163 nan 8.250 nan 0.000 0.431 89 P HA 0.208 nan 4.420 nan 0.000 0.277 89 P C 0.565 177.843 177.300 -0.035 0.000 1.240 89 P CA 0.193 63.281 63.100 -0.020 0.000 0.798 89 P CB 0.822 32.520 31.700 -0.002 0.000 0.979 90 G N 0.710 109.486 108.800 -0.040 0.000 2.527 90 G HA2 -0.086 3.878 3.960 0.006 0.000 0.268 90 G HA3 -0.086 3.878 3.960 0.006 0.000 0.268 90 G C -0.319 174.518 174.900 -0.105 0.000 1.175 90 G CA 0.462 45.522 45.100 -0.065 0.000 0.962 90 G HN 0.995 nan 8.290 nan 0.000 0.560 91 V N -3.614 116.218 119.914 -0.137 0.000 3.181 91 V HA 0.939 5.062 4.120 0.006 0.000 0.308 91 V C -0.516 175.494 176.094 -0.140 0.000 1.214 91 V CA -0.685 61.512 62.300 -0.171 0.000 1.053 91 V CB 1.909 33.575 31.823 -0.263 0.000 1.069 91 V HN 1.045 nan 8.190 nan 0.000 0.441 92 K N 1.074 121.388 120.400 -0.144 0.000 2.318 92 K HA 0.702 5.025 4.320 0.006 0.000 0.249 92 K C -0.949 175.594 176.600 -0.094 0.000 0.942 92 K CA -0.579 55.661 56.287 -0.078 0.000 0.808 92 K CB 2.398 34.860 32.500 -0.063 0.000 1.189 92 K HN 1.008 nan 8.250 nan 0.000 0.428 93 E N 0.412 120.537 120.200 -0.125 0.000 2.410 93 E HA 0.813 5.166 4.350 0.006 0.000 0.269 93 E C -0.398 175.851 176.600 -0.585 0.000 0.937 93 E CA -1.264 54.901 56.400 -0.391 0.000 0.793 93 E CB 2.242 31.866 29.700 -0.126 0.000 1.314 93 E HN 0.637 nan 8.360 nan 0.000 0.447 94 G N -0.011 108.139 108.800 -1.083 0.000 2.325 94 G HA2 0.383 4.347 3.960 0.006 0.000 0.295 94 G HA3 0.383 4.347 3.960 0.006 0.000 0.295 94 G C -1.829 172.793 174.900 -0.464 0.000 1.274 94 G CA -0.999 43.705 45.100 -0.659 0.000 0.857 94 G HN 0.411 nan 8.290 nan 0.000 0.499 95 L N -0.184 121.018 121.223 -0.035 0.000 2.381 95 L HA 0.743 5.087 4.340 0.006 0.000 0.268 95 L C -0.556 176.434 176.870 0.200 0.000 0.997 95 L CA -1.206 53.711 54.840 0.128 0.000 0.818 95 L CB 2.333 44.451 42.059 0.099 0.000 1.310 95 L HN 0.351 nan 8.230 nan 0.000 0.416 96 V N 0.837 120.876 119.914 0.208 0.000 2.448 96 V HA 0.189 4.313 4.120 0.006 0.000 0.295 96 V C -0.652 175.497 176.094 0.091 0.000 1.025 96 V CA -0.537 61.845 62.300 0.137 0.000 0.859 96 V CB 1.940 33.843 31.823 0.133 0.000 0.988 96 V HN 0.718 nan 8.190 nan 0.000 0.431 97 D N 3.519 123.955 120.400 0.061 0.000 2.325 97 D HA 0.279 4.923 4.640 0.006 0.000 0.251 97 D C 0.922 177.245 176.300 0.038 0.000 1.196 97 D CA -0.123 53.904 54.000 0.045 0.000 0.866 97 D CB 1.110 41.931 40.800 0.034 0.000 1.101 97 D HN 0.439 nan 8.370 nan 0.000 0.476 98 L N 3.644 124.888 121.223 0.036 0.000 2.156 98 L HA -0.001 4.342 4.340 0.006 0.000 0.208 98 L C 2.363 179.245 176.870 0.020 0.000 1.095 98 L CA 0.861 55.718 54.840 0.029 0.000 0.770 98 L CB -0.278 41.798 42.059 0.029 0.000 0.914 98 L HN 0.577 nan 8.230 nan 0.000 0.439 99 A N -0.072 122.759 122.820 0.017 0.000 1.933 99 A HA -0.185 4.139 4.320 0.006 0.000 0.218 99 A C 2.357 179.950 177.584 0.015 0.000 1.175 99 A CA 1.983 54.028 52.037 0.013 0.000 0.628 99 A CB -0.478 18.529 19.000 0.011 0.000 0.814 99 A HN 0.483 nan 8.150 nan 0.000 0.444 100 S N -1.322 114.389 115.700 0.018 0.000 2.540 100 S HA 0.395 4.869 4.470 0.006 0.000 0.218 100 S C 0.502 175.115 174.600 0.021 0.000 0.977 100 S CA 0.142 58.353 58.200 0.019 0.000 0.918 100 S CB -0.554 62.658 63.200 0.020 0.000 0.806 100 S HN 0.587 nan 8.310 nan 0.000 0.496 101 L N 2.099 123.335 121.223 0.022 0.000 3.854 101 L HA -0.183 4.161 4.340 0.006 0.000 0.460 101 L C 0.104 176.991 176.870 0.029 0.000 1.228 101 L CA 0.536 55.390 54.840 0.023 0.000 0.760 101 L CB -2.359 39.711 42.059 0.018 0.000 1.597 101 L HN 0.700 nan 8.230 nan 0.000 0.852 102 S N -2.204 113.514 115.700 0.030 0.000 2.549 102 S HA 0.736 5.210 4.470 0.006 0.000 0.280 102 S C -0.331 174.278 174.600 0.015 0.000 1.109 102 S CA -1.011 57.208 58.200 0.032 0.000 0.905 102 S CB 2.525 65.747 63.200 0.037 0.000 1.081 102 S HN -0.007 nan 8.310 nan 0.000 0.477 103 V N 3.675 123.570 119.914 -0.032 0.000 2.470 103 V HA 0.208 4.331 4.120 0.006 0.000 0.276 103 V C 1.179 177.228 176.094 -0.075 0.000 1.040 103 V CA 0.037 62.266 62.300 -0.118 0.000 1.008 103 V CB 0.215 31.720 31.823 -0.530 0.000 0.990 103 V HN 0.917 nan 8.190 nan 0.000 0.477 104 I N 1.165 121.724 120.570 -0.017 0.000 4.181 104 I HA 0.541 4.715 4.170 0.006 0.000 0.331 104 I C 0.561 176.680 176.117 0.003 0.000 1.312 104 I CA 0.278 61.580 61.300 0.004 0.000 1.146 104 I CB 0.531 38.545 38.000 0.024 0.000 1.074 104 I HN 0.620 nan 8.210 nan 0.000 0.402 105 E N 0.523 120.719 120.200 -0.007 0.000 2.363 105 E HA 0.473 4.827 4.350 0.006 0.000 0.281 105 E C -1.417 175.173 176.600 -0.015 0.000 0.953 105 E CA -0.489 55.911 56.400 0.001 0.000 0.778 105 E CB 2.485 32.195 29.700 0.016 0.000 1.220 105 E HN 0.082 nan 8.360 nan 0.000 0.431 106 T N 2.485 117.042 114.554 0.005 0.000 2.932 106 T HA 0.662 5.016 4.350 0.006 0.000 0.318 106 T C -1.964 172.774 174.700 0.064 0.000 1.265 106 T CA -0.674 61.447 62.100 0.036 0.000 1.036 106 T CB 0.964 69.864 68.868 0.055 0.000 1.209 106 T HN 0.625 nan 8.240 nan 0.000 0.484 107 R N 1.631 122.173 120.500 0.071 0.000 2.634 107 R HA 0.793 5.137 4.340 0.006 0.000 0.263 107 R C -1.744 174.596 176.300 0.067 0.000 1.060 107 R CA -1.123 55.021 56.100 0.074 0.000 0.898 107 R CB 0.945 31.277 30.300 0.053 0.000 1.253 107 R HN 0.686 nan 8.270 nan 0.000 0.461 108 A N 3.493 126.352 122.820 0.065 0.000 2.292 108 A HA 0.656 4.979 4.320 0.006 0.000 0.319 108 A C -0.625 176.967 177.584 0.014 0.000 1.206 108 A CA -0.870 51.189 52.037 0.036 0.000 0.835 108 A CB 0.763 19.794 19.000 0.051 0.000 1.164 108 A HN 0.615 nan 8.150 nan 0.000 0.505 109 L N 3.000 124.210 121.223 -0.020 0.000 2.384 109 L HA 0.320 4.664 4.340 0.006 0.000 0.261 109 L C 0.732 177.580 176.870 -0.037 0.000 1.024 109 L CA -0.090 54.735 54.840 -0.026 0.000 0.899 109 L CB 1.293 43.324 42.059 -0.047 0.000 1.243 109 L HN 0.916 nan 8.230 nan 0.000 0.449 110 E N 0.453 120.647 120.200 -0.010 0.000 2.358 110 E HA -0.074 4.279 4.350 0.006 0.000 0.195 110 E C 0.893 177.495 176.600 0.003 0.000 1.010 110 E CA 1.128 57.523 56.400 -0.007 0.000 0.856 110 E CB 0.355 30.060 29.700 0.007 0.000 0.795 110 E HN 0.662 nan 8.360 nan 0.000 0.504 111 T N -1.753 112.809 114.554 0.014 0.000 3.331 111 T HA 0.313 4.666 4.350 0.006 0.000 0.282 111 T C 0.100 174.832 174.700 0.054 0.000 1.010 111 T CA -0.549 61.576 62.100 0.042 0.000 0.928 111 T CB -0.237 68.666 68.868 0.058 0.000 1.154 111 T HN -0.028 nan 8.240 nan 0.000 0.516 112 V N -2.383 117.539 119.914 0.013 0.000 3.126 112 V HA 0.844 4.967 4.120 0.006 0.000 0.314 112 V C -1.508 174.580 176.094 -0.010 0.000 1.138 112 V CA -1.096 61.216 62.300 0.021 0.000 1.034 112 V CB 2.320 34.136 31.823 -0.013 0.000 1.075 112 V HN 0.165 nan 8.190 nan 0.000 0.442 113 Q N 1.764 121.582 119.800 0.030 0.000 2.375 113 Q HA 0.651 4.994 4.340 0.006 0.000 0.271 113 Q C -2.842 173.178 176.000 0.033 0.000 1.074 113 Q CA -1.736 54.073 55.803 0.010 0.000 0.808 113 Q CB 2.819 31.585 28.738 0.046 0.000 1.327 113 Q HN 0.732 nan 8.270 nan 0.000 0.441 114 P HA 0.341 nan 4.420 nan 0.000 0.284 114 P C -0.019 177.334 177.300 0.088 0.000 1.287 114 P CA -0.817 62.346 63.100 0.105 0.000 0.824 114 P CB 1.288 33.017 31.700 0.048 0.000 1.180 115 I N 0.215 120.861 120.570 0.127 0.000 2.948 115 I HA -0.106 4.067 4.170 0.006 0.000 0.303 115 I C 0.016 176.185 176.117 0.086 0.000 1.224 115 I CA 0.187 61.537 61.300 0.084 0.000 1.442 115 I CB 0.023 38.133 38.000 0.184 0.000 1.328 115 I HN 0.117 nan 8.210 nan 0.000 0.578 116 L N 7.705 128.952 121.223 0.040 0.000 2.278 116 L HA 0.247 4.590 4.340 0.006 0.000 0.287 116 L C 0.654 177.591 176.870 0.111 0.000 1.072 116 L CA -0.440 54.451 54.840 0.084 0.000 0.819 116 L CB 0.868 43.006 42.059 0.131 0.000 1.176 116 L HN 0.673 nan 8.230 nan 0.000 0.435 117 T N -0.468 114.078 114.554 -0.014 0.000 2.816 117 T HA 0.212 4.565 4.350 0.006 0.000 0.282 117 T C 1.365 175.987 174.700 -0.130 0.000 0.993 117 T CA -0.882 61.070 62.100 -0.246 0.000 0.994 117 T CB 1.483 70.106 68.868 -0.409 0.000 1.025 117 T HN 0.197 nan 8.240 nan 0.000 0.529 118 V N 1.144 120.942 119.914 -0.194 0.000 2.392 118 V HA -0.153 3.971 4.120 0.006 0.000 0.249 118 V C 2.813 178.888 176.094 -0.031 0.000 1.059 118 V CA 2.134 64.399 62.300 -0.058 0.000 1.051 118 V CB -1.018 30.787 31.823 -0.030 0.000 0.658 118 V HN 0.931 nan 8.190 nan 0.000 0.455 119 E N 0.684 120.847 120.200 -0.061 0.000 2.007 119 E HA -0.258 4.095 4.350 0.006 0.000 0.194 119 E C 1.831 178.428 176.600 -0.004 0.000 0.999 119 E CA 1.626 58.012 56.400 -0.024 0.000 0.811 119 E CB -0.314 29.368 29.700 -0.029 0.000 0.762 119 E HN 0.878 nan 8.360 nan 0.000 0.450 120 D N 0.175 120.569 120.400 -0.011 0.000 2.384 120 D HA -0.152 4.491 4.640 0.006 0.000 0.222 120 D C 1.655 177.977 176.300 0.037 0.000 0.976 120 D CA 0.730 54.736 54.000 0.010 0.000 0.915 120 D CB -0.200 40.603 40.800 0.005 0.000 0.896 120 D HN 0.224 nan 8.370 nan 0.000 0.523 121 L N -0.711 120.539 121.223 0.046 0.000 2.286 121 L HA 0.079 4.422 4.340 0.006 0.000 0.203 121 L C 1.940 178.849 176.870 0.066 0.000 1.068 121 L CA 0.158 55.042 54.840 0.075 0.000 0.811 121 L CB -0.165 41.949 42.059 0.091 0.000 0.989 121 L HN 0.124 nan 8.230 nan 0.000 0.467 122 C N 0.283 119.613 119.300 0.050 0.000 2.430 122 C HA -0.101 4.363 4.460 0.006 0.000 0.288 122 C C 2.920 177.937 174.990 0.045 0.000 1.448 122 C CA 1.258 60.307 59.018 0.052 0.000 1.784 122 C CB -1.016 26.750 27.740 0.044 0.000 1.776 122 C HN 0.623 nan 8.230 nan 0.000 0.547 123 S N -0.993 114.730 115.700 0.039 0.000 2.527 123 S HA -0.080 4.394 4.470 0.006 0.000 0.222 123 S C 1.428 176.047 174.600 0.032 0.000 0.985 123 S CA 1.201 59.419 58.200 0.029 0.000 0.921 123 S CB -0.572 62.641 63.200 0.022 0.000 0.772 123 S HN 0.607 nan 8.310 nan 0.000 0.529 124 T N 2.320 116.902 114.554 0.047 0.000 2.857 124 T HA 0.001 4.355 4.350 0.006 0.000 0.266 124 T C 1.623 176.349 174.700 0.044 0.000 1.048 124 T CA 1.347 63.478 62.100 0.051 0.000 1.139 124 T CB -0.241 68.672 68.868 0.075 0.000 0.874 124 T HN 0.545 nan 8.240 nan 0.000 0.455 125 E N 0.658 120.883 120.200 0.042 0.000 2.051 125 E HA -0.152 4.202 4.350 0.006 0.000 0.192 125 E C 2.341 178.938 176.600 -0.005 0.000 0.991 125 E CA 0.889 57.299 56.400 0.018 0.000 0.799 125 E CB 0.094 29.793 29.700 -0.000 0.000 0.748 125 E HN 0.289 nan 8.360 nan 0.000 0.449 126 E N -0.023 120.176 120.200 -0.003 0.000 2.150 126 E HA -0.129 4.224 4.350 0.006 0.000 0.193 126 E C 2.197 178.799 176.600 0.003 0.000 0.985 126 E CA 0.531 56.927 56.400 -0.006 0.000 0.814 126 E CB -0.056 29.642 29.700 -0.004 0.000 0.752 126 E HN 0.166 nan 8.360 nan 0.000 0.466 127 V N 2.161 122.081 119.914 0.011 0.000 2.261 127 V HA -0.262 3.861 4.120 0.006 0.000 0.246 127 V C 2.551 178.655 176.094 0.017 0.000 1.047 127 V CA 2.007 64.314 62.300 0.012 0.000 1.015 127 V CB -0.707 31.125 31.823 0.014 0.000 0.642 127 V HN 0.340 nan 8.190 nan 0.000 0.446 128 I N -1.304 119.283 120.570 0.028 0.000 2.439 128 I HA -0.142 4.031 4.170 0.006 0.000 0.251 128 I C 2.508 178.648 176.117 0.039 0.000 1.139 128 I CA 1.465 62.791 61.300 0.044 0.000 1.438 128 I CB -0.583 37.461 38.000 0.073 0.000 1.085 128 I HN 0.054 nan 8.210 nan 0.000 0.427 129 R N 1.217 121.729 120.500 0.020 0.000 2.193 129 R HA -0.018 4.326 4.340 0.006 0.000 0.229 129 R C 1.211 177.519 176.300 0.014 0.000 1.110 129 R CA 1.256 57.363 56.100 0.012 0.000 0.988 129 R CB -0.402 29.890 30.300 -0.014 0.000 0.871 129 R HN 0.543 nan 8.270 nan 0.000 0.458 130 N N 0.480 119.186 118.700 0.010 0.000 2.205 130 N HA -0.035 4.708 4.740 0.006 0.000 0.201 130 N C -0.696 174.815 175.510 0.002 0.000 1.128 130 N CA 0.126 53.179 53.050 0.005 0.000 0.867 130 N CB 0.548 39.036 38.487 0.002 0.000 0.996 130 N HN 0.159 nan 8.380 nan 0.000 0.503 131 D N 1.142 121.545 120.400 0.004 0.000 2.295 131 D HA 0.174 4.818 4.640 0.006 0.000 0.248 131 D C -1.571 174.720 176.300 -0.015 0.000 1.154 131 D CA -1.919 52.078 54.000 -0.004 0.000 0.857 131 D CB 1.927 42.727 40.800 0.000 0.000 1.117 131 D HN -0.101 nan 8.370 nan 0.000 0.468 132 P HA -0.190 nan 4.420 nan 0.000 0.216 132 P C 0.855 178.122 177.300 -0.055 0.000 1.153 132 P CA 1.322 64.403 63.100 -0.032 0.000 0.858 132 P CB 0.131 31.814 31.700 -0.029 0.000 0.789 133 A N -0.827 121.955 122.820 -0.064 0.000 1.930 133 A HA -0.128 4.196 4.320 0.006 0.000 0.217 133 A C 2.328 179.823 177.584 -0.148 0.000 1.175 133 A CA 1.623 53.597 52.037 -0.105 0.000 0.627 133 A CB -1.609 17.329 19.000 -0.104 0.000 0.815 133 A HN 0.036 nan 8.150 nan 0.000 0.443 134 V N 0.263 120.118 119.914 -0.099 0.000 2.358 134 V HA -0.263 3.860 4.120 0.006 0.000 0.246 134 V C 2.411 178.445 176.094 -0.100 0.000 1.047 134 V CA 1.994 64.239 62.300 -0.091 0.000 1.035 134 V CB -0.725 31.127 31.823 0.049 0.000 0.658 134 V HN 0.574 nan 8.190 nan 0.000 0.452 135 I N 0.198 120.737 120.570 -0.051 0.000 2.163 135 I HA -0.314 3.859 4.170 0.006 0.000 0.243 135 I C 2.611 178.682 176.117 -0.078 0.000 1.085 135 I CA 2.181 63.460 61.300 -0.036 0.000 1.347 135 I CB -0.419 37.570 38.000 -0.019 0.000 1.044 135 I HN 0.431 nan 8.210 nan 0.000 0.408 136 E N 0.571 120.704 120.200 -0.110 0.000 2.085 136 E HA -0.277 4.076 4.350 0.006 0.000 0.194 136 E C 2.193 178.676 176.600 -0.194 0.000 0.994 136 E CA 1.227 57.550 56.400 -0.128 0.000 0.801 136 E CB 0.087 29.712 29.700 -0.126 0.000 0.743 136 E HN 0.432 nan 8.360 nan 0.000 0.453 137 Q N -0.068 119.529 119.800 -0.338 0.000 2.167 137 Q HA -0.109 4.234 4.340 0.006 0.000 0.202 137 Q C 2.404 178.180 176.000 -0.373 0.000 0.970 137 Q CA 1.117 56.576 55.803 -0.574 0.000 0.855 137 Q CB -0.502 27.446 28.738 -1.317 0.000 0.911 137 Q HN 0.454 nan 8.270 nan 0.000 0.438 138 C N -0.208 118.994 119.300 -0.165 0.000 2.446 138 C HA -0.060 4.403 4.460 0.006 0.000 0.277 138 C C 2.856 177.846 174.990 -0.000 0.000 1.275 138 C CA 0.342 59.394 59.018 0.057 0.000 1.727 138 C CB -0.989 26.816 27.740 0.109 0.000 2.010 138 C HN 0.240 nan 8.230 nan 0.000 0.486 139 V N 1.216 121.106 119.914 -0.039 0.000 2.287 139 V HA -0.244 3.879 4.120 0.006 0.000 0.248 139 V C 2.353 178.422 176.094 -0.042 0.000 1.053 139 V CA 1.994 64.272 62.300 -0.036 0.000 1.027 139 V CB -0.664 31.135 31.823 -0.040 0.000 0.646 139 V HN 0.558 nan 8.190 nan 0.000 0.447 140 L N -0.087 121.098 121.223 -0.064 0.000 2.131 140 L HA -0.135 4.208 4.340 0.006 0.000 0.210 140 L C 2.210 179.063 176.870 -0.028 0.000 1.092 140 L CA 1.449 56.255 54.840 -0.055 0.000 0.759 140 L CB -0.495 41.515 42.059 -0.082 0.000 0.903 140 L HN 0.281 nan 8.230 nan 0.000 0.435 141 S N -0.452 115.245 115.700 -0.006 0.000 2.650 141 S HA 0.186 4.659 4.470 0.006 0.000 0.219 141 S C 1.347 175.936 174.600 -0.020 0.000 0.960 141 S CA 0.652 58.869 58.200 0.028 0.000 0.925 141 S CB 0.362 63.647 63.200 0.141 0.000 0.775 141 S HN 0.651 nan 8.310 nan 0.000 0.525 142 G N 1.431 110.209 108.800 -0.036 0.000 2.131 142 G HA2 -0.214 3.749 3.960 0.006 0.000 0.223 142 G HA3 -0.214 3.749 3.960 0.006 0.000 0.223 142 G C -0.114 174.731 174.900 -0.092 0.000 0.990 142 G CA -0.395 44.668 45.100 -0.061 0.000 0.671 142 G HN 0.499 nan 8.290 nan 0.000 0.521 143 I N 1.700 122.227 120.570 -0.072 0.000 2.382 143 I HA 0.336 4.510 4.170 0.006 0.000 0.285 143 I C -2.123 173.988 176.117 -0.009 0.000 1.007 143 I CA -2.546 58.714 61.300 -0.066 0.000 1.142 143 I CB 1.999 39.965 38.000 -0.055 0.000 1.289 143 I HN -0.167 nan 8.210 nan 0.000 0.453 144 P HA 0.016 nan 4.420 nan 0.000 0.267 144 P C 0.570 177.887 177.300 0.029 0.000 1.200 144 P CA -0.058 63.051 63.100 0.016 0.000 0.772 144 P CB 0.885 32.601 31.700 0.026 0.000 0.855 145 A N 3.268 126.101 122.820 0.021 0.000 2.024 145 A HA -0.211 4.112 4.320 0.006 0.000 0.220 145 A C 1.486 179.097 177.584 0.044 0.000 1.164 145 A CA 1.835 53.887 52.037 0.025 0.000 0.643 145 A CB -1.217 17.790 19.000 0.011 0.000 0.806 145 A HN 0.712 nan 8.150 nan 0.000 0.451 146 N N -0.340 118.393 118.700 0.054 0.000 2.383 146 N HA 0.001 4.744 4.740 0.006 0.000 0.192 146 N C 0.290 175.885 175.510 0.143 0.000 1.141 146 N CA 0.592 53.690 53.050 0.081 0.000 0.851 146 N CB -0.185 38.341 38.487 0.064 0.000 0.976 146 N HN 0.602 nan 8.380 nan 0.000 0.465 147 E N -0.269 119.996 120.200 0.109 0.000 2.685 147 E HA 0.226 4.579 4.350 0.006 0.000 0.208 147 E C 0.699 177.285 176.600 -0.023 0.000 0.996 147 E CA -0.291 56.145 56.400 0.061 0.000 1.054 147 E CB 0.255 29.989 29.700 0.057 0.000 1.075 147 E HN 0.143 nan 8.360 nan 0.000 0.460 148 M N 0.757 120.392 119.600 0.059 0.000 2.460 148 M HA -0.113 4.370 4.480 0.006 0.000 0.263 148 M C 1.965 178.251 176.300 -0.023 0.000 1.071 148 M CA 1.314 56.633 55.300 0.032 0.000 1.096 148 M CB -0.943 31.686 32.600 0.047 0.000 1.408 148 M HN 0.377 nan 8.290 nan 0.000 0.463 149 H N -0.675 118.379 119.070 -0.027 0.000 2.545 149 H HA 0.002 4.562 4.556 0.006 0.000 0.282 149 H C 0.981 176.240 175.328 -0.114 0.000 1.020 149 H CA 0.790 56.784 56.048 -0.090 0.000 1.243 149 H CB -0.421 29.309 29.762 -0.053 0.000 1.377 149 H HN 0.364 nan 8.280 nan 0.000 0.581 150 K N 0.989 121.108 120.400 -0.468 0.000 2.393 150 K HA 0.198 4.521 4.320 0.006 0.000 0.193 150 K C 0.122 176.742 176.600 0.033 0.000 1.026 150 K CA -0.048 56.092 56.287 -0.244 0.000 1.064 150 K CB 1.085 33.395 32.500 -0.317 0.000 0.833 150 K HN 0.013 nan 8.250 nan 0.000 0.521 151 V N 1.781 121.687 119.914 -0.013 0.000 2.465 151 V HA 0.219 4.343 4.120 0.006 0.000 0.279 151 V C -0.611 175.434 176.094 -0.083 0.000 1.045 151 V CA -0.474 61.893 62.300 0.112 0.000 0.938 151 V CB 0.351 32.240 31.823 0.110 0.000 0.986 151 V HN 0.053 nan 8.190 nan 0.000 0.467 152 Y N 2.627 122.970 120.300 0.070 0.000 2.605 152 Y HA 0.731 5.285 4.550 0.006 0.000 0.343 152 Y C 0.187 176.155 175.900 0.113 0.000 1.036 152 Y CA -0.737 57.403 58.100 0.067 0.000 1.065 152 Y CB 2.210 40.684 38.460 0.024 0.000 1.288 152 Y HN 0.843 nan 8.280 nan 0.000 0.481 153 C N -1.139 118.325 119.300 0.274 0.000 2.985 153 C HA 0.593 5.056 4.460 0.006 0.000 0.314 153 C C -1.552 173.609 174.990 0.285 0.000 1.215 153 C CA -1.050 58.123 59.018 0.259 0.000 1.414 153 C CB 1.469 29.298 27.740 0.149 0.000 1.842 153 C HN 0.723 nan 8.230 nan 0.000 0.477 154 D N 4.252 124.870 120.400 0.364 0.000 2.347 154 D HA 0.407 5.051 4.640 0.006 0.000 0.235 154 D C -2.262 174.296 176.300 0.430 0.000 1.149 154 D CA -1.073 53.169 54.000 0.404 0.000 0.850 154 D CB 1.524 42.673 40.800 0.581 0.000 1.061 154 D HN 0.521 nan 8.370 nan 0.000 0.487 155 P HA 0.163 nan 4.420 nan 0.000 0.286 155 P C -0.719 176.829 177.300 0.414 0.000 1.321 155 P CA -0.505 62.773 63.100 0.298 0.000 0.790 155 P CB 0.247 32.061 31.700 0.191 0.000 0.897 156 W N 1.446 122.824 121.300 0.129 0.000 2.509 156 W HA 0.395 5.058 4.660 0.006 0.000 0.351 156 W C 1.101 177.749 176.519 0.214 0.000 1.107 156 W CA -0.539 56.937 57.345 0.217 0.000 1.264 156 W CB 0.708 30.258 29.460 0.150 0.000 1.312 156 W HN 0.167 nan 8.180 nan 0.000 0.608 157 T N 1.980 116.818 114.554 0.473 0.000 2.903 157 T HA -0.032 4.322 4.350 0.006 0.000 0.314 157 T C 1.198 176.031 174.700 0.222 0.000 1.078 157 T CA -0.081 62.151 62.100 0.220 0.000 1.114 157 T CB 0.321 69.207 68.868 0.030 0.000 0.987 157 T HN 0.472 nan 8.240 nan 0.000 0.548 158 I N 2.711 123.354 120.570 0.122 0.000 2.700 158 I HA 0.042 4.215 4.170 0.006 0.000 0.261 158 I C 1.734 177.891 176.117 0.068 0.000 1.219 158 I CA 1.557 62.904 61.300 0.079 0.000 1.463 158 I CB -0.782 37.240 38.000 0.038 0.000 1.092 158 I HN 1.107 nan 8.210 nan 0.000 0.452 159 G N 0.381 109.223 108.800 0.070 0.000 4.766 159 G HA2 -0.386 3.578 3.960 0.006 0.000 0.314 159 G HA3 -0.386 3.578 3.960 0.006 0.000 0.314 159 G C -0.009 175.001 174.900 0.183 0.000 1.427 159 G CA 0.515 45.621 45.100 0.010 0.000 1.024 159 G HN 0.427 nan 8.290 nan 0.000 0.754 160 Y N 1.986 122.326 120.300 0.067 0.000 2.442 160 Y HA 0.595 5.149 4.550 0.006 0.000 0.330 160 Y C -2.070 173.890 175.900 0.100 0.000 1.100 160 Y CA -0.645 57.514 58.100 0.098 0.000 1.034 160 Y CB 2.152 40.665 38.460 0.089 0.000 1.285 160 Y HN 0.455 nan 8.280 nan 0.000 0.440 161 D N 5.492 125.504 120.400 -0.647 0.000 2.620 161 D HA 0.120 4.764 4.640 0.006 0.000 0.252 161 D C 0.504 176.361 176.300 -0.739 0.000 1.207 161 D CA -0.247 53.486 54.000 -0.446 0.000 0.884 161 D CB 1.508 42.324 40.800 0.027 0.000 1.262 161 D HN 0.856 nan 8.370 nan 0.000 0.552 162 E N 3.701 123.523 120.200 -0.630 0.000 2.401 162 E HA -0.164 4.189 4.350 0.006 0.000 0.199 162 E C 0.817 177.205 176.600 -0.353 0.000 1.023 162 E CA 0.521 56.687 56.400 -0.389 0.000 0.859 162 E CB 0.012 29.665 29.700 -0.079 0.000 0.780 162 E HN 0.464 nan 8.360 nan 0.000 0.523 163 R N -0.642 119.549 120.500 -0.516 0.000 2.189 163 R HA 0.026 4.369 4.340 0.006 0.000 0.218 163 R C 1.318 177.057 176.300 -0.934 0.000 1.074 163 R CA 1.338 56.900 56.100 -0.896 0.000 0.991 163 R CB 0.039 29.398 30.300 -1.570 0.000 0.883 163 R HN 0.343 nan 8.270 nan 0.000 0.457 164 W N -0.866 120.324 121.300 -0.184 0.000 2.520 164 W HA 0.321 4.985 4.660 0.006 0.000 0.272 164 W C 1.013 177.482 176.519 -0.084 0.000 0.984 164 W CA 0.430 57.703 57.345 -0.120 0.000 1.314 164 W CB -0.031 29.366 29.460 -0.105 0.000 0.945 164 W HN 0.226 nan 8.180 nan 0.000 0.596 165 G N 2.161 110.985 108.800 0.040 0.000 2.611 165 G HA2 -0.420 3.544 3.960 0.006 0.000 0.301 165 G HA3 -0.420 3.544 3.960 0.006 0.000 0.301 165 G C 0.734 175.747 174.900 0.187 0.000 1.233 165 G CA 2.123 47.307 45.100 0.141 0.000 0.993 165 G HN 0.144 nan 8.290 nan 0.000 0.553 166 T N -1.605 113.063 114.554 0.189 0.000 3.134 166 T HA 0.508 4.861 4.350 0.006 0.000 0.260 166 T C 2.022 176.786 174.700 0.107 0.000 1.027 166 T CA 1.027 63.217 62.100 0.151 0.000 0.913 166 T CB 0.700 69.659 68.868 0.152 0.000 1.046 166 T HN 1.562 nan 8.240 nan 0.000 0.553 167 G N 1.714 110.585 108.800 0.119 0.000 2.443 167 G HA2 0.062 4.026 3.960 0.006 0.000 0.219 167 G HA3 0.062 4.026 3.960 0.006 0.000 0.219 167 G C 0.473 175.416 174.900 0.071 0.000 1.131 167 G CA 0.130 45.288 45.100 0.097 0.000 0.775 167 G HN 0.492 nan 8.290 nan 0.000 0.547 168 K N -0.592 119.845 120.400 0.062 0.000 2.435 168 K HA 0.419 4.743 4.320 0.006 0.000 0.251 168 K C -0.917 175.679 176.600 -0.007 0.000 0.954 168 K CA -0.950 55.339 56.287 0.003 0.000 0.820 168 K CB 2.438 34.901 32.500 -0.061 0.000 1.292 168 K HN -0.034 nan 8.250 nan 0.000 0.436 169 R N 2.830 123.317 120.500 -0.021 0.000 2.248 169 R HA 0.314 4.657 4.340 0.006 0.000 0.328 169 R C -1.025 175.252 176.300 -0.038 0.000 1.067 169 R CA -0.102 55.989 56.100 -0.015 0.000 0.924 169 R CB 0.170 30.462 30.300 -0.014 0.000 1.013 169 R HN 0.483 nan 8.270 nan 0.000 0.454 170 L N 3.814 125.019 121.223 -0.030 0.000 2.381 170 L HA 0.450 4.794 4.340 0.006 0.000 0.268 170 L C -0.474 176.393 176.870 -0.005 0.000 0.997 170 L CA -0.918 53.884 54.840 -0.064 0.000 0.818 170 L CB 2.453 44.431 42.059 -0.136 0.000 1.310 170 L HN 0.608 nan 8.230 nan 0.000 0.416 171 Q N 1.621 121.421 119.800 -0.000 0.000 2.399 171 Q HA 0.459 4.802 4.340 0.006 0.000 0.276 171 Q C -1.338 174.688 176.000 0.045 0.000 1.098 171 Q CA -0.866 54.977 55.803 0.066 0.000 0.827 171 Q CB 2.938 31.734 28.738 0.098 0.000 1.386 171 Q HN 0.526 nan 8.270 nan 0.000 0.443 172 Q N -0.066 119.788 119.800 0.090 0.000 2.322 172 Q HA 0.747 5.090 4.340 0.006 0.000 0.265 172 Q C -1.367 174.666 176.000 0.055 0.000 0.985 172 Q CA -0.947 54.879 55.803 0.039 0.000 0.849 172 Q CB 1.699 30.430 28.738 -0.013 0.000 1.274 172 Q HN 0.549 nan 8.270 nan 0.000 0.449 173 A N 5.287 128.126 122.820 0.031 0.000 2.294 173 A HA 0.401 4.724 4.320 0.006 0.000 0.316 173 A C -0.213 177.347 177.584 -0.040 0.000 1.359 173 A CA -0.762 51.302 52.037 0.046 0.000 0.956 173 A CB 0.128 19.165 19.000 0.061 0.000 1.155 173 A HN 0.843 nan 8.150 nan 0.000 0.544 174 L N 3.783 124.972 121.223 -0.056 0.000 2.385 174 L HA 0.221 4.564 4.340 0.006 0.000 0.281 174 L C -0.322 176.465 176.870 -0.138 0.000 1.106 174 L CA -0.343 54.400 54.840 -0.162 0.000 0.856 174 L CB 0.605 42.548 42.059 -0.194 0.000 1.186 174 L HN 0.368 nan 8.230 nan 0.000 0.453 175 V N 4.438 124.124 119.914 -0.380 0.000 2.481 175 V HA 0.412 4.535 4.120 0.006 0.000 0.286 175 V C -0.487 175.289 176.094 -0.529 0.000 1.042 175 V CA -0.360 61.744 62.300 -0.327 0.000 0.928 175 V CB 1.335 32.878 31.823 -0.466 0.000 0.986 175 V HN 0.436 nan 8.190 nan 0.000 0.462 176 Y N 2.636 122.939 120.300 0.005 0.000 2.609 176 Y HA 0.591 5.144 4.550 0.006 0.000 0.342 176 Y C -0.862 175.156 175.900 0.196 0.000 1.058 176 Y CA -0.931 57.200 58.100 0.052 0.000 1.055 176 Y CB 2.017 40.435 38.460 -0.069 0.000 1.292 176 Y HN 0.592 nan 8.280 nan 0.000 0.476 177 Y N 1.458 121.922 120.300 0.274 0.000 2.409 177 Y HA 0.687 5.241 4.550 0.006 0.000 0.343 177 Y C -1.082 174.958 175.900 0.235 0.000 0.973 177 Y CA -1.362 56.879 58.100 0.235 0.000 1.064 177 Y CB 1.323 39.901 38.460 0.196 0.000 1.207 177 Y HN 0.549 nan 8.280 nan 0.000 0.452 178 R N 3.695 123.866 120.500 -0.549 0.000 2.437 178 R HA 0.329 4.672 4.340 0.006 0.000 0.310 178 R C 0.495 176.127 176.300 -1.113 0.000 0.955 178 R CA -0.496 55.140 56.100 -0.772 0.000 0.851 178 R CB 1.812 31.740 30.300 -0.621 0.000 1.161 178 R HN 0.823 nan 8.270 nan 0.000 0.446 179 S N 1.030 116.101 115.700 -1.048 0.000 2.423 179 S HA -0.120 4.354 4.470 0.006 0.000 0.231 179 S C 0.309 174.684 174.600 -0.374 0.000 1.014 179 S CA 1.120 58.992 58.200 -0.546 0.000 0.965 179 S CB -0.069 62.988 63.200 -0.238 0.000 0.785 179 S HN 0.665 nan 8.310 nan 0.000 0.495 180 D N -0.878 119.262 120.400 -0.435 0.000 2.753 180 D HA 0.193 4.837 4.640 0.006 0.000 0.224 180 D C 0.602 176.736 176.300 -0.277 0.000 1.213 180 D CA -0.542 53.304 54.000 -0.258 0.000 0.833 180 D CB 1.115 41.797 40.800 -0.197 0.000 1.607 180 D HN 0.055 nan 8.370 nan 0.000 0.463 181 E N 1.161 121.267 120.200 -0.156 0.000 2.267 181 E HA -0.209 4.144 4.350 0.006 0.000 0.197 181 E C 0.172 176.637 176.600 -0.225 0.000 0.998 181 E CA 1.009 57.326 56.400 -0.139 0.000 0.830 181 E CB 0.012 29.694 29.700 -0.029 0.000 0.751 181 E HN 0.365 nan 8.360 nan 0.000 0.491 182 D N 1.142 121.409 120.400 -0.221 0.000 2.340 182 D HA 0.033 4.676 4.640 0.006 0.000 0.220 182 D C -0.272 175.868 176.300 -0.267 0.000 1.039 182 D CA 0.254 54.110 54.000 -0.240 0.000 0.866 182 D CB -0.108 40.567 40.800 -0.209 0.000 0.913 182 D HN 0.135 nan 8.370 nan 0.000 0.523 183 D N 0.096 120.272 120.400 -0.373 0.000 2.382 183 D HA 0.001 4.644 4.640 0.006 0.000 0.240 183 D C 0.155 176.209 176.300 -0.410 0.000 1.146 183 D CA 0.254 53.959 54.000 -0.492 0.000 0.897 183 D CB 0.889 41.231 40.800 -0.763 0.000 1.197 183 D HN -0.202 nan 8.370 nan 0.000 0.432 184 S N 0.502 115.983 115.700 -0.365 0.000 2.465 184 S HA 0.025 4.498 4.470 0.006 0.000 0.279 184 S C 1.201 175.760 174.600 -0.068 0.000 1.201 184 S CA -0.607 57.483 58.200 -0.185 0.000 1.053 184 S CB 0.487 63.625 63.200 -0.103 0.000 0.953 184 S HN 0.385 nan 8.310 nan 0.000 0.488 185 Q N 4.287 123.932 119.800 -0.257 0.000 2.436 185 Q HA -0.111 4.232 4.340 0.006 0.000 0.209 185 Q C 0.343 176.249 176.000 -0.158 0.000 0.965 185 Q CA 1.305 56.957 55.803 -0.252 0.000 0.910 185 Q CB -0.412 28.016 28.738 -0.517 0.000 0.980 185 Q HN 0.896 nan 8.270 nan 0.000 0.491 186 Y N 2.019 122.322 120.300 0.004 0.000 2.571 186 Y HA -0.067 4.487 4.550 0.006 0.000 0.294 186 Y C 2.576 178.692 175.900 0.359 0.000 1.141 186 Y CA 1.128 59.276 58.100 0.080 0.000 1.308 186 Y CB 0.087 38.587 38.460 0.067 0.000 1.002 186 Y HN 0.340 nan 8.280 nan 0.000 0.551 187 S N -1.549 114.423 115.700 0.454 0.000 2.561 187 S HA -0.089 4.385 4.470 0.006 0.000 0.225 187 S C 0.207 174.872 174.600 0.109 0.000 0.977 187 S CA 0.633 59.047 58.200 0.357 0.000 0.926 187 S CB -0.454 62.864 63.200 0.197 0.000 0.769 187 S HN 0.474 nan 8.310 nan 0.000 0.533 188 H N 1.870 121.032 119.070 0.153 0.000 2.535 188 H HA 0.424 4.983 4.556 0.006 0.000 0.232 188 H C -2.840 172.605 175.328 0.195 0.000 1.405 188 H CA -1.842 54.284 56.048 0.131 0.000 1.224 188 H CB 0.636 30.459 29.762 0.102 0.000 1.763 188 H HN 0.340 nan 8.280 nan 0.000 0.529 189 P HA 0.027 nan 4.420 nan 0.000 0.271 189 P C 0.031 177.165 177.300 -0.276 0.000 1.218 189 P CA -0.025 62.925 63.100 -0.250 0.000 0.780 189 P CB 1.747 33.278 31.700 -0.283 0.000 0.901 190 L N 1.987 122.976 121.223 -0.390 0.000 2.400 190 L HA 0.247 4.591 4.340 0.006 0.000 0.264 190 L C 1.767 178.409 176.870 -0.380 0.000 1.061 190 L CA -0.479 54.152 54.840 -0.349 0.000 0.799 190 L CB 0.540 42.332 42.059 -0.444 0.000 1.240 190 L HN 0.375 nan 8.230 nan 0.000 0.461 191 D N -0.556 119.731 120.400 -0.188 0.000 2.348 191 D HA -0.026 4.618 4.640 0.006 0.000 0.211 191 D C 0.098 176.526 176.300 0.213 0.000 0.998 191 D CA 0.260 54.257 54.000 -0.006 0.000 0.873 191 D CB -0.038 40.798 40.800 0.060 0.000 0.925 191 D HN 0.253 nan 8.370 nan 0.000 0.524 192 F N -0.895 119.105 119.950 0.084 0.000 2.541 192 F HA 0.635 5.166 4.527 0.006 0.000 0.331 192 F C -0.695 175.128 175.800 0.038 0.000 1.057 192 F CA -2.009 56.030 58.000 0.064 0.000 0.975 192 F CB 1.396 40.407 39.000 0.018 0.000 1.246 192 F HN -0.142 nan 8.300 nan 0.000 0.484 193 C N 3.696 123.125 119.300 0.214 0.000 2.654 193 C HA 0.588 5.052 4.460 0.006 0.000 0.315 193 C C -2.796 172.296 174.990 0.170 0.000 1.054 193 C CA -2.048 57.017 59.018 0.077 0.000 1.419 193 C CB 0.089 27.823 27.740 -0.009 0.000 1.889 193 C HN 0.654 nan 8.230 nan 0.000 0.447 194 P HA 0.280 nan 4.420 nan 0.000 0.271 194 P C -0.640 176.708 177.300 0.080 0.000 1.216 194 P CA 0.063 63.250 63.100 0.146 0.000 0.776 194 P CB 0.400 32.189 31.700 0.149 0.000 0.881 195 I N 3.257 123.863 120.570 0.060 0.000 2.378 195 I HA 0.299 4.472 4.170 0.006 0.000 0.291 195 I C -0.118 175.947 176.117 -0.087 0.000 0.992 195 I CA -0.680 60.595 61.300 -0.041 0.000 1.154 195 I CB 1.362 39.276 38.000 -0.145 0.000 1.315 195 I HN 0.033 nan 8.210 nan 0.000 0.448 196 V N 5.046 124.909 119.914 -0.084 0.000 2.540 196 V HA 0.260 4.383 4.120 0.006 0.000 0.302 196 V C -0.060 175.978 176.094 -0.094 0.000 1.035 196 V CA -0.777 61.486 62.300 -0.063 0.000 0.873 196 V CB 2.276 34.095 31.823 -0.008 0.000 0.992 196 V HN 0.639 nan 8.190 nan 0.000 0.428 197 D N 3.298 123.638 120.400 -0.100 0.000 2.344 197 D HA 0.088 4.731 4.640 0.006 0.000 0.253 197 D C 1.258 177.530 176.300 -0.046 0.000 1.255 197 D CA 0.164 54.109 54.000 -0.092 0.000 0.894 197 D CB 1.709 42.455 40.800 -0.091 0.000 1.067 197 D HN 0.617 nan 8.370 nan 0.000 0.492 198 T N 3.392 117.926 114.554 -0.033 0.000 2.759 198 T HA -0.152 4.202 4.350 0.006 0.000 0.269 198 T C 1.350 176.042 174.700 -0.013 0.000 1.042 198 T CA 1.077 63.170 62.100 -0.011 0.000 1.140 198 T CB 0.253 69.121 68.868 -0.000 0.000 0.864 198 T HN 0.454 nan 8.240 nan 0.000 0.455 199 E N 0.512 120.699 120.200 -0.022 0.000 2.216 199 E HA 0.040 4.393 4.350 0.006 0.000 0.192 199 E C 2.238 178.826 176.600 -0.020 0.000 0.973 199 E CA 0.493 56.880 56.400 -0.022 0.000 0.851 199 E CB -0.037 29.646 29.700 -0.028 0.000 0.804 199 E HN 0.432 nan 8.360 nan 0.000 0.477 200 E N 0.928 121.114 120.200 -0.023 0.000 2.371 200 E HA -0.007 4.347 4.350 0.006 0.000 0.194 200 E C -0.033 176.558 176.600 -0.015 0.000 1.012 200 E CA 0.122 56.510 56.400 -0.019 0.000 0.860 200 E CB 0.064 29.751 29.700 -0.022 0.000 0.811 200 E HN 0.185 nan 8.360 nan 0.000 0.502 201 K N 0.809 121.199 120.400 -0.015 0.000 3.150 201 K HA -0.181 4.143 4.320 0.006 0.000 0.267 201 K C -0.448 176.146 176.600 -0.010 0.000 1.028 201 K CA 0.667 56.949 56.287 -0.009 0.000 0.753 201 K CB -1.159 31.338 32.500 -0.004 0.000 1.288 201 K HN 0.063 nan 8.250 nan 0.000 0.473 202 K N 0.216 120.605 120.400 -0.017 0.000 2.464 202 K HA 0.379 4.702 4.320 0.006 0.000 0.253 202 K C -0.271 176.314 176.600 -0.025 0.000 0.933 202 K CA -0.986 55.290 56.287 -0.017 0.000 0.801 202 K CB 2.574 35.063 32.500 -0.017 0.000 1.271 202 K HN -0.113 nan 8.250 nan 0.000 0.430 203 V N 4.228 124.133 119.914 -0.015 0.000 2.470 203 V HA 0.054 4.178 4.120 0.006 0.000 0.276 203 V C 1.289 177.373 176.094 -0.016 0.000 1.040 203 V CA 0.110 62.401 62.300 -0.015 0.000 1.008 203 V CB 0.213 32.036 31.823 0.000 0.000 0.990 203 V HN 0.771 nan 8.190 nan 0.000 0.477 204 I N 1.631 122.179 120.570 -0.036 0.000 3.941 204 I HA 0.527 4.700 4.170 0.006 0.000 0.321 204 I C 0.154 176.371 176.117 0.166 0.000 1.284 204 I CA 0.550 61.848 61.300 -0.003 0.000 1.226 204 I CB 0.434 38.352 38.000 -0.137 0.000 1.045 204 I HN 0.452 nan 8.210 nan 0.000 0.420 205 F N 0.932 120.853 119.950 -0.048 0.000 2.744 205 F HA 0.625 5.155 4.527 0.006 0.000 0.311 205 F C -1.918 173.916 175.800 0.056 0.000 1.144 205 F CA -1.076 56.960 58.000 0.059 0.000 0.938 205 F CB 1.752 40.872 39.000 0.200 0.000 1.292 205 F HN -0.246 nan 8.300 nan 0.000 0.444 206 I N 3.659 123.993 120.570 -0.394 0.000 2.478 206 I HA 0.264 4.437 4.170 0.006 0.000 0.287 206 I C -1.273 174.782 176.117 -0.104 0.000 1.042 206 I CA -0.832 60.398 61.300 -0.117 0.000 1.067 206 I CB 1.724 39.644 38.000 -0.133 0.000 1.233 206 I HN 0.357 nan 8.210 nan 0.000 0.431 207 D N 7.537 128.082 120.400 0.241 0.000 2.371 207 D HA 0.394 5.037 4.640 0.006 0.000 0.256 207 D C -0.299 176.131 176.300 0.216 0.000 1.193 207 D CA 0.508 54.702 54.000 0.323 0.000 0.881 207 D CB 1.421 42.434 40.800 0.354 0.000 1.143 207 D HN 0.290 nan 8.370 nan 0.000 0.473 208 I N 4.660 125.327 120.570 0.162 0.000 2.436 208 I HA 0.224 4.398 4.170 0.006 0.000 0.289 208 I C -1.973 174.225 176.117 0.134 0.000 1.010 208 I CA -1.853 59.525 61.300 0.130 0.000 1.098 208 I CB 2.240 40.251 38.000 0.018 0.000 1.266 208 I HN 0.113 nan 8.210 nan 0.000 0.434 209 P HA 0.245 nan 4.420 nan 0.000 0.276 209 P C -0.213 177.142 177.300 0.092 0.000 1.244 209 P CA -0.399 62.784 63.100 0.139 0.000 0.801 209 P CB 0.987 32.799 31.700 0.186 0.000 1.006 210 N N 0.671 119.415 118.700 0.073 0.000 2.166 210 N HA -0.109 4.634 4.740 0.006 0.000 0.186 210 N C 0.990 176.529 175.510 0.050 0.000 1.019 210 N CA 1.018 54.096 53.050 0.047 0.000 0.856 210 N CB -0.020 38.487 38.487 0.034 0.000 0.993 210 N HN 0.461 nan 8.380 nan 0.000 0.426 211 R N 2.063 122.604 120.500 0.068 0.000 2.204 211 R HA 0.117 4.461 4.340 0.006 0.000 0.341 211 R C -0.574 175.769 176.300 0.071 0.000 1.035 211 R CA -0.524 55.614 56.100 0.063 0.000 0.887 211 R CB 0.486 30.830 30.300 0.073 0.000 1.114 211 R HN -0.106 nan 8.270 nan 0.000 0.473 212 R N 3.262 123.792 120.500 0.051 0.000 2.490 212 R HA 0.193 4.537 4.340 0.006 0.000 0.280 212 R C -0.344 175.977 176.300 0.034 0.000 1.077 212 R CA -0.336 55.794 56.100 0.051 0.000 1.065 212 R CB 0.527 30.846 30.300 0.033 0.000 1.003 212 R HN 0.525 nan 8.270 nan 0.000 0.470 213 R N 1.440 121.957 120.500 0.027 0.000 2.473 213 R HA 0.291 4.634 4.340 0.006 0.000 0.303 213 R C -0.371 175.919 176.300 -0.017 0.000 1.002 213 R CA -0.468 55.626 56.100 -0.010 0.000 0.884 213 R CB 1.794 32.065 30.300 -0.050 0.000 1.173 213 R HN 0.367 nan 8.270 nan 0.000 0.464 214 K N 0.879 121.269 120.400 -0.018 0.000 2.180 214 K HA 0.209 4.533 4.320 0.006 0.000 0.251 214 K C 0.084 176.657 176.600 -0.045 0.000 1.014 214 K CA -0.590 55.684 56.287 -0.022 0.000 0.913 214 K CB 1.087 33.571 32.500 -0.027 0.000 1.008 214 K HN 0.210 nan 8.250 nan 0.000 0.490 215 V N 1.920 121.802 119.914 -0.055 0.000 2.720 215 V HA -0.091 4.032 4.120 0.006 0.000 0.307 215 V C 0.307 176.379 176.094 -0.037 0.000 1.071 215 V CA 0.480 62.743 62.300 -0.062 0.000 1.199 215 V CB 1.226 32.961 31.823 -0.147 0.000 0.900 215 V HN 0.847 nan 8.190 nan 0.000 0.494 216 S N 5.752 121.434 115.700 -0.031 0.000 2.552 216 S HA 0.110 4.584 4.470 0.006 0.000 0.289 216 S C 0.864 175.524 174.600 0.100 0.000 1.304 216 S CA -0.219 57.962 58.200 -0.031 0.000 1.063 216 S CB 0.398 63.440 63.200 -0.264 0.000 0.848 216 S HN 0.811 nan 8.310 nan 0.000 0.499 217 K N 2.879 123.281 120.400 0.004 0.000 2.374 217 K HA 0.126 4.449 4.320 0.006 0.000 0.196 217 K C 0.440 177.049 176.600 0.014 0.000 1.023 217 K CA 0.146 56.435 56.287 0.003 0.000 1.103 217 K CB -0.213 32.228 32.500 -0.098 0.000 0.848 217 K HN 0.688 nan 8.250 nan 0.000 0.528 218 H N 1.705 120.871 119.070 0.159 0.000 2.745 218 H HA 0.098 4.658 4.556 0.006 0.000 0.373 218 H C 0.344 175.878 175.328 0.343 0.000 1.226 218 H CA 0.389 56.545 56.048 0.179 0.000 1.435 218 H CB 0.678 30.482 29.762 0.070 0.000 1.461 218 H HN -0.154 nan 8.280 nan 0.000 0.616 219 K N 1.103 121.760 120.400 0.429 0.000 2.414 219 K HA 0.002 4.326 4.320 0.006 0.000 0.272 219 K C -0.127 176.755 176.600 0.470 0.000 0.993 219 K CA -0.027 56.487 56.287 0.377 0.000 0.964 219 K CB 0.218 32.893 32.500 0.293 0.000 0.925 219 K HN 0.460 nan 8.250 nan 0.000 0.487 220 H N 0.169 119.359 119.070 0.200 0.000 2.871 220 H HA 0.082 4.642 4.556 0.006 0.000 0.355 220 H C -0.153 175.163 175.328 -0.021 0.000 1.092 220 H CA 0.347 56.459 56.048 0.107 0.000 1.420 220 H CB 0.680 30.352 29.762 -0.150 0.000 1.400 220 H HN 0.632 nan 8.280 nan 0.000 0.604 221 A N 4.329 127.061 122.820 -0.145 0.000 2.506 221 A HA 0.220 4.544 4.320 0.006 0.000 0.320 221 A C -0.062 177.356 177.584 -0.276 0.000 1.424 221 A CA -0.654 51.163 52.037 -0.366 0.000 1.044 221 A CB -0.457 18.040 19.000 -0.840 0.000 1.140 221 A HN 0.662 nan 8.150 nan 0.000 0.538 222 N N 0.835 119.391 118.700 -0.241 0.000 2.483 222 N HA 0.690 5.433 4.740 0.006 0.000 0.285 222 N C -0.116 175.307 175.510 -0.145 0.000 1.210 222 N CA -0.414 52.377 53.050 -0.432 0.000 0.931 222 N CB 1.297 39.214 38.487 -0.950 0.000 1.220 222 N HN 0.604 nan 8.380 nan 0.000 0.542 223 F N -2.617 117.335 119.950 0.004 0.000 2.974 223 F HA 0.430 4.960 4.527 0.006 0.000 0.357 223 F C -0.393 175.446 175.800 0.066 0.000 1.114 223 F CA -0.735 57.272 58.000 0.012 0.000 1.099 223 F CB -0.248 38.674 39.000 -0.130 0.000 1.205 223 F HN 0.199 nan 8.300 nan 0.000 0.535 224 Y N 2.729 123.167 120.300 0.229 0.000 2.314 224 Y HA 0.298 4.851 4.550 0.006 0.000 0.334 224 Y C -1.125 174.795 175.900 0.033 0.000 1.266 224 Y CA -1.432 56.742 58.100 0.124 0.000 1.391 224 Y CB 0.265 38.689 38.460 -0.060 0.000 1.306 224 Y HN -0.236 nan 8.280 nan 0.000 0.558 225 P HA -0.276 nan 4.420 nan 0.000 0.216 225 P C 1.083 178.390 177.300 0.012 0.000 1.154 225 P CA 2.595 65.734 63.100 0.066 0.000 0.865 225 P CB 0.098 31.829 31.700 0.053 0.000 0.789 226 K N -1.310 119.040 120.400 -0.082 0.000 2.097 226 K HA -0.210 4.113 4.320 0.006 0.000 0.206 226 K C 1.842 178.376 176.600 -0.110 0.000 1.049 226 K CA 1.516 57.715 56.287 -0.148 0.000 0.933 226 K CB -1.031 31.319 32.500 -0.250 0.000 0.717 226 K HN 0.254 nan 8.250 nan 0.000 0.442 227 H N 0.486 119.575 119.070 0.033 0.000 2.395 227 H HA 0.059 4.619 4.556 0.006 0.000 0.299 227 H C 2.206 177.556 175.328 0.038 0.000 1.070 227 H CA 1.333 57.393 56.048 0.020 0.000 1.356 227 H CB -0.094 29.668 29.762 -0.001 0.000 1.401 227 H HN 0.217 nan 8.280 nan 0.000 0.524 228 M N 0.416 120.115 119.600 0.165 0.000 2.175 228 M HA -0.062 4.422 4.480 0.006 0.000 0.264 228 M C 2.578 178.925 176.300 0.078 0.000 1.063 228 M CA 0.796 56.164 55.300 0.113 0.000 1.119 228 M CB -0.855 31.802 32.600 0.096 0.000 1.377 228 M HN 0.177 nan 8.290 nan 0.000 0.415 229 I N 0.202 120.807 120.570 0.059 0.000 2.208 229 I HA -0.302 3.872 4.170 0.006 0.000 0.245 229 I C 2.241 178.387 176.117 0.048 0.000 1.097 229 I CA 1.343 62.668 61.300 0.041 0.000 1.363 229 I CB -0.360 37.653 38.000 0.022 0.000 1.051 229 I HN 0.379 nan 8.210 nan 0.000 0.413 230 E N 0.595 120.830 120.200 0.059 0.000 2.072 230 E HA -0.264 4.089 4.350 0.006 0.000 0.191 230 E C 2.127 178.772 176.600 0.074 0.000 0.985 230 E CA 1.101 57.540 56.400 0.065 0.000 0.801 230 E CB -0.074 29.673 29.700 0.078 0.000 0.750 230 E HN 0.394 nan 8.360 nan 0.000 0.452 231 K N 0.927 121.379 120.400 0.088 0.000 2.007 231 K HA -0.098 4.226 4.320 0.006 0.000 0.206 231 K C 1.903 178.548 176.600 0.075 0.000 1.047 231 K CA 1.563 57.905 56.287 0.091 0.000 0.937 231 K CB 0.308 32.870 32.500 0.104 0.000 0.718 231 K HN 0.147 nan 8.250 nan 0.000 0.438 232 V N -3.924 116.030 119.914 0.066 0.000 3.477 232 V HA 0.485 4.608 4.120 0.006 0.000 0.297 232 V C 0.794 176.914 176.094 0.044 0.000 1.433 232 V CA 0.352 62.685 62.300 0.054 0.000 1.052 232 V CB 0.305 32.159 31.823 0.052 0.000 0.895 232 V HN 0.498 nan 8.190 nan 0.000 0.438 233 G N 0.070 108.896 108.800 0.043 0.000 2.358 233 G HA2 0.156 4.119 3.960 0.006 0.000 0.224 233 G HA3 0.156 4.119 3.960 0.006 0.000 0.224 233 G C 0.354 175.271 174.900 0.029 0.000 1.073 233 G CA -0.003 45.118 45.100 0.034 0.000 0.635 233 G HN 2.093 nan 8.290 nan 0.000 0.509 234 A N -0.043 122.794 122.820 0.030 0.000 2.599 234 A HA 0.737 5.061 4.320 0.006 0.000 0.294 234 A C -0.280 177.320 177.584 0.026 0.000 1.055 234 A CA -0.136 51.916 52.037 0.024 0.000 0.683 234 A CB 0.775 19.787 19.000 0.020 0.000 1.278 234 A HN 0.558 nan 8.150 nan 0.000 0.412 235 M N 1.170 120.784 119.600 0.023 0.000 2.202 235 M HA 0.330 4.813 4.480 0.006 0.000 0.316 235 M C 0.769 177.079 176.300 0.017 0.000 1.138 235 M CA 0.058 55.371 55.300 0.022 0.000 1.151 235 M CB 0.185 32.797 32.600 0.020 0.000 1.422 235 M HN 0.782 nan 8.290 nan 0.000 0.471 236 R N 0.870 121.379 120.500 0.015 0.000 2.694 236 R HA 0.246 4.590 4.340 0.006 0.000 0.268 236 R C -2.046 174.259 176.300 0.009 0.000 1.061 236 R CA -1.260 54.846 56.100 0.011 0.000 1.133 236 R CB -0.670 29.635 30.300 0.008 0.000 1.020 236 R HN 0.382 nan 8.270 nan 0.000 0.475 237 P HA -0.044 nan 4.420 nan 0.000 0.267 237 P C -0.648 176.655 177.300 0.005 0.000 1.200 237 P CA -0.120 62.984 63.100 0.006 0.000 0.772 237 P CB 0.452 32.156 31.700 0.006 0.000 0.855 238 E N 1.396 121.599 120.200 0.005 0.000 2.493 238 E HA 0.256 4.609 4.350 0.006 0.000 0.255 238 E C -0.197 176.404 176.600 0.002 0.000 0.999 238 E CA 0.028 56.429 56.400 0.003 0.000 0.934 238 E CB -0.058 29.644 29.700 0.004 0.000 0.940 238 E HN 0.476 nan 8.360 nan 0.000 0.473 239 A N 6.037 128.857 122.820 0.001 0.000 2.386 239 A HA 0.362 4.686 4.320 0.006 0.000 0.248 239 A C -1.906 175.678 177.584 -0.000 0.000 1.082 239 A CA -1.142 50.895 52.037 -0.000 0.000 0.789 239 A CB -0.298 18.701 19.000 -0.002 0.000 1.025 239 A HN 0.659 nan 8.150 nan 0.000 0.490 240 P HA 0.246 nan 4.420 nan 0.000 0.268 240 P C -2.484 174.816 177.300 -0.001 0.000 1.205 240 P CA -0.731 62.369 63.100 -0.000 0.000 0.771 240 P CB -0.404 31.296 31.700 -0.000 0.000 0.858 241 P HA 0.282 nan 4.420 nan 0.000 0.271 241 P C -0.447 176.853 177.300 -0.001 0.000 1.218 241 P CA 0.055 63.154 63.100 -0.001 0.000 0.780 241 P CB 0.778 32.478 31.700 0.000 0.000 0.901 242 I N 2.796 123.365 120.570 -0.002 0.000 2.359 242 I HA 0.205 4.379 4.170 0.006 0.000 0.284 242 I C 0.081 176.197 176.117 -0.001 0.000 1.018 242 I CA -0.567 60.731 61.300 -0.002 0.000 1.173 242 I CB 0.715 38.712 38.000 -0.004 0.000 1.326 242 I HN 0.144 nan 8.210 nan 0.000 0.462 243 N N 6.263 124.964 118.700 0.001 0.000 2.422 243 N HA 0.338 5.082 4.740 0.006 0.000 0.266 243 N C -0.720 174.793 175.510 0.005 0.000 1.007 243 N CA -0.304 52.747 53.050 0.003 0.000 0.941 243 N CB 2.503 40.992 38.487 0.003 0.000 1.115 243 N HN 0.180 nan 8.380 nan 0.000 0.492 244 V N 2.138 122.056 119.914 0.007 0.000 2.334 244 V HA 0.418 4.541 4.120 0.006 0.000 0.281 244 V C 0.335 176.438 176.094 0.015 0.000 1.016 244 V CA -0.658 61.650 62.300 0.013 0.000 0.832 244 V CB 0.967 32.800 31.823 0.017 0.000 0.999 244 V HN 0.725 nan 8.190 nan 0.000 0.439 245 T N 1.955 116.520 114.554 0.017 0.000 2.885 245 T HA 0.663 5.016 4.350 0.006 0.000 0.285 245 T C -0.532 174.181 174.700 0.022 0.000 1.019 245 T CA -0.814 61.296 62.100 0.016 0.000 1.010 245 T CB 2.163 71.037 68.868 0.011 0.000 1.022 245 T HN 0.530 nan 8.240 nan 0.000 0.466 246 Q N 1.804 121.616 119.800 0.020 0.000 2.965 246 Q HA 0.262 4.605 4.340 0.006 0.000 0.288 246 Q C -1.805 174.199 176.000 0.008 0.000 0.974 246 Q CA -1.912 53.903 55.803 0.021 0.000 0.849 246 Q CB 1.380 30.136 28.738 0.029 0.000 1.280 246 Q HN 0.581 nan 8.270 nan 0.000 0.441 247 P HA -0.134 nan 4.420 nan 0.000 0.226 247 P C 0.026 177.324 177.300 -0.003 0.000 1.153 247 P CA 1.005 64.106 63.100 0.002 0.000 0.777 247 P CB 0.475 32.177 31.700 0.004 0.000 0.794 248 E N -0.230 119.967 120.200 -0.004 0.000 2.496 248 E HA 0.360 4.713 4.350 0.006 0.000 0.200 248 E C 0.911 177.497 176.600 -0.024 0.000 1.016 248 E CA -0.038 56.356 56.400 -0.011 0.000 0.962 248 E CB 0.213 29.910 29.700 -0.005 0.000 1.071 248 E HN 0.170 nan 8.360 nan 0.000 0.457 249 G N 0.957 109.740 108.800 -0.029 0.000 2.542 249 G HA2 -0.264 3.700 3.960 0.006 0.000 0.235 249 G HA3 -0.264 3.700 3.960 0.006 0.000 0.235 249 G C -0.112 174.744 174.900 -0.074 0.000 1.286 249 G CA -0.372 44.691 45.100 -0.062 0.000 0.904 249 G HN 0.459 nan 8.290 nan 0.000 0.577 250 V N -3.250 116.567 119.914 -0.161 0.000 3.126 250 V HA 0.894 5.017 4.120 0.006 0.000 0.314 250 V C 1.267 177.262 176.094 -0.166 0.000 1.138 250 V CA 0.801 62.982 62.300 -0.199 0.000 1.034 250 V CB 1.463 32.959 31.823 -0.545 0.000 1.075 250 V HN 2.311 nan 8.190 nan 0.000 0.442 251 S N 0.873 116.575 115.700 0.003 0.000 2.524 251 S HA 0.225 4.698 4.470 0.006 0.000 0.216 251 S C 0.552 175.267 174.600 0.192 0.000 0.987 251 S CA 0.012 58.269 58.200 0.095 0.000 0.909 251 S CB -0.653 62.651 63.200 0.173 0.000 0.781 251 S HN 1.061 nan 8.310 nan 0.000 0.521 252 F N 1.369 121.476 119.950 0.260 0.000 2.380 252 F HA 0.711 5.242 4.527 0.006 0.000 0.325 252 F C -0.027 175.806 175.800 0.054 0.000 1.136 252 F CA -0.963 57.162 58.000 0.209 0.000 1.171 252 F CB 0.676 39.749 39.000 0.123 0.000 1.230 252 F HN -0.106 nan 8.300 nan 0.000 0.554 253 K N 4.428 124.986 120.400 0.263 0.000 2.507 253 K HA 0.406 4.730 4.320 0.006 0.000 0.251 253 K C -1.674 174.962 176.600 0.060 0.000 0.943 253 K CA -0.709 55.636 56.287 0.098 0.000 0.794 253 K CB 1.579 34.097 32.500 0.030 0.000 1.188 253 K HN 0.897 nan 8.250 nan 0.000 0.428 254 M N 2.668 122.270 119.600 0.004 0.000 2.336 254 M HA 0.276 4.759 4.480 0.006 0.000 0.342 254 M C -0.674 175.580 176.300 -0.078 0.000 1.128 254 M CA -0.611 54.607 55.300 -0.136 0.000 1.016 254 M CB 2.100 34.465 32.600 -0.390 0.000 1.665 254 M HN 0.457 nan 8.290 nan 0.000 0.445 255 T N 2.424 116.932 114.554 -0.078 0.000 2.991 255 T HA 0.524 4.878 4.350 0.006 0.000 0.347 255 T C 0.642 175.336 174.700 -0.010 0.000 1.122 255 T CA 0.159 62.249 62.100 -0.016 0.000 1.062 255 T CB 1.130 70.003 68.868 0.009 0.000 1.043 255 T HN 1.069 nan 8.240 nan 0.000 0.491 256 G N 4.693 113.500 108.800 0.012 0.000 2.596 256 G HA2 -0.352 3.612 3.960 0.006 0.000 0.304 256 G HA3 -0.352 3.612 3.960 0.006 0.000 0.304 256 G C 0.718 175.579 174.900 -0.066 0.000 1.189 256 G CA 0.484 45.596 45.100 0.020 0.000 0.986 256 G HN 0.602 nan 8.290 nan 0.000 0.548 257 N N 0.177 118.797 118.700 -0.132 0.000 2.270 257 N HA 0.370 5.114 4.740 0.006 0.000 0.198 257 N C 0.125 175.360 175.510 -0.458 0.000 1.117 257 N CA 0.507 53.354 53.050 -0.338 0.000 0.845 257 N CB 0.790 38.964 38.487 -0.523 0.000 0.980 257 N HN 0.445 nan 8.380 nan 0.000 0.486 258 V N 1.828 121.572 119.914 -0.283 0.000 2.432 258 V HA 0.297 4.420 4.120 0.006 0.000 0.275 258 V C 0.054 175.949 176.094 -0.332 0.000 1.043 258 V CA -0.668 61.476 62.300 -0.259 0.000 0.925 258 V CB 1.130 32.918 31.823 -0.058 0.000 0.985 258 V HN 0.156 nan 8.190 nan 0.000 0.466 259 M N 5.241 124.501 119.600 -0.566 0.000 2.300 259 M HA 0.508 4.991 4.480 0.006 0.000 0.348 259 M C -0.536 175.482 176.300 -0.470 0.000 1.151 259 M CA 0.105 55.011 55.300 -0.657 0.000 1.046 259 M CB 1.173 33.012 32.600 -1.268 0.000 1.647 259 M HN 0.658 nan 8.290 nan 0.000 0.451 260 E N 3.854 123.943 120.200 -0.185 0.000 2.218 260 E HA 0.497 4.850 4.350 0.006 0.000 0.263 260 E C -2.176 174.526 176.600 0.169 0.000 0.879 260 E CA -0.286 56.100 56.400 -0.023 0.000 0.762 260 E CB 1.698 31.391 29.700 -0.012 0.000 1.166 260 E HN 0.764 nan 8.360 nan 0.000 0.415 261 W N 2.517 123.827 121.300 0.016 0.000 3.624 261 W HA 0.191 4.855 4.660 0.006 0.000 0.312 261 W C -0.232 176.391 176.519 0.173 0.000 1.203 261 W CA -0.449 56.960 57.345 0.108 0.000 1.225 261 W CB 1.473 31.008 29.460 0.123 0.000 1.321 261 W HN 0.453 nan 8.180 nan 0.000 0.506 262 S N 4.356 119.611 115.700 -0.742 0.000 3.486 262 S HA -0.379 4.095 4.470 0.006 0.000 0.371 262 S C 0.816 175.123 174.600 -0.488 0.000 1.001 262 S CA 2.368 60.082 58.200 -0.810 0.000 1.164 262 S CB -1.767 60.497 63.200 -1.560 0.000 0.911 262 S HN 1.059 nan 8.310 nan 0.000 0.472 263 N N -2.730 115.714 118.700 -0.426 0.000 2.967 263 N HA -0.190 4.554 4.740 0.006 0.000 0.218 263 N C -0.224 174.945 175.510 -0.569 0.000 0.870 263 N CA 1.309 53.967 53.050 -0.654 0.000 1.030 263 N CB -1.233 36.498 38.487 -1.261 0.000 1.027 263 N HN 0.510 nan 8.380 nan 0.000 0.603 264 F N 1.631 121.514 119.950 -0.112 0.000 2.418 264 F HA 0.387 4.918 4.527 0.006 0.000 0.341 264 F C 0.784 176.652 175.800 0.114 0.000 1.120 264 F CA 0.412 58.514 58.000 0.170 0.000 1.232 264 F CB 0.905 40.176 39.000 0.451 0.000 1.175 264 F HN -0.119 nan 8.300 nan 0.000 0.569 265 K N 3.910 124.549 120.400 0.398 0.000 2.482 265 K HA 0.627 4.951 4.320 0.006 0.000 0.251 265 K C -1.747 175.047 176.600 0.323 0.000 0.936 265 K CA -0.521 55.875 56.287 0.183 0.000 0.791 265 K CB 1.562 34.127 32.500 0.108 0.000 1.213 265 K HN 0.519 nan 8.250 nan 0.000 0.428 266 F N -0.455 119.514 119.950 0.033 0.000 2.741 266 F HA 0.383 4.913 4.527 0.006 0.000 0.311 266 F C -1.491 174.304 175.800 -0.008 0.000 1.149 266 F CA -1.180 56.839 58.000 0.032 0.000 0.930 266 F CB 0.937 39.928 39.000 -0.015 0.000 1.312 266 F HN 0.429 nan 8.300 nan 0.000 0.450 267 H N 2.426 121.550 119.070 0.090 0.000 2.467 267 H HA 0.571 5.131 4.556 0.006 0.000 0.326 267 H C -1.178 174.148 175.328 -0.003 0.000 1.094 267 H CA -0.569 55.419 56.048 -0.099 0.000 1.253 267 H CB 1.495 31.134 29.762 -0.206 0.000 1.439 267 H HN 0.727 nan 8.280 nan 0.000 0.479 268 I N 5.180 125.464 120.570 -0.476 0.000 2.307 268 I HA 0.264 4.437 4.170 0.006 0.000 0.289 268 I C 0.923 176.855 176.117 -0.309 0.000 1.021 268 I CA -0.327 60.834 61.300 -0.232 0.000 1.224 268 I CB 1.303 39.200 38.000 -0.170 0.000 1.376 268 I HN 0.543 nan 8.210 nan 0.000 0.470 269 G N 5.217 114.025 108.800 0.013 0.000 2.667 269 G HA2 0.763 4.726 3.960 0.006 0.000 0.310 269 G HA3 0.763 4.726 3.960 0.006 0.000 0.310 269 G C -1.665 173.366 174.900 0.218 0.000 1.259 269 G CA -0.409 44.791 45.100 0.167 0.000 1.019 269 G HN 0.382 nan 8.290 nan 0.000 0.496 270 F N 0.549 120.528 119.950 0.048 0.000 2.654 270 F HA 0.473 5.004 4.527 0.006 0.000 0.314 270 F C -1.087 174.780 175.800 0.112 0.000 1.116 270 F CA -0.869 57.164 58.000 0.056 0.000 1.017 270 F CB 2.128 41.157 39.000 0.048 0.000 1.285 270 F HN 0.823 nan 8.300 nan 0.000 0.448 271 N N 2.014 120.553 118.700 -0.267 0.000 2.647 271 N HA 0.243 4.986 4.740 0.006 0.000 0.266 271 N C 0.127 175.507 175.510 -0.217 0.000 1.373 271 N CA -0.500 52.547 53.050 -0.005 0.000 0.807 271 N CB 0.356 38.888 38.487 0.075 0.000 1.513 271 N HN 0.517 nan 8.380 nan 0.000 0.505 272 Y N -1.254 118.914 120.300 -0.220 0.000 2.298 272 Y HA 0.041 4.594 4.550 0.006 0.000 0.287 272 Y C 2.048 177.484 175.900 -0.773 0.000 1.164 272 Y CA 1.387 58.997 58.100 -0.817 0.000 1.229 272 Y CB -0.319 37.337 38.460 -1.341 0.000 0.977 272 Y HN 0.656 nan 8.280 nan 0.000 0.538 273 R N 0.241 119.944 120.500 -1.328 0.000 2.076 273 R HA 0.106 4.449 4.340 0.006 0.000 0.203 273 R C 1.951 177.824 176.300 -0.713 0.000 1.229 273 R CA 0.849 56.213 56.100 -1.227 0.000 1.094 273 R CB 0.033 29.342 30.300 -1.652 0.000 0.991 273 R HN 0.358 nan 8.270 nan 0.000 0.471 274 E N -0.051 119.827 120.200 -0.537 0.000 2.358 274 E HA 0.118 4.471 4.350 0.006 0.000 0.195 274 E C 0.868 177.255 176.600 -0.355 0.000 1.010 274 E CA 0.461 56.672 56.400 -0.316 0.000 0.856 274 E CB 0.341 29.948 29.700 -0.156 0.000 0.795 274 E HN 0.569 nan 8.360 nan 0.000 0.504 275 G N 1.820 110.245 108.800 -0.624 0.000 2.536 275 G HA2 -0.348 3.616 3.960 0.006 0.000 0.280 275 G HA3 -0.348 3.616 3.960 0.006 0.000 0.280 275 G C 0.097 174.546 174.900 -0.752 0.000 1.152 275 G CA -0.124 44.418 45.100 -0.931 0.000 0.970 275 G HN 0.195 nan 8.290 nan 0.000 0.549 276 I N 1.221 121.714 120.570 -0.129 0.000 2.618 276 I HA 0.347 4.520 4.170 0.006 0.000 0.284 276 I C 0.321 176.319 176.117 -0.198 0.000 1.146 276 I CA 0.046 61.364 61.300 0.030 0.000 1.425 276 I CB 0.923 38.992 38.000 0.115 0.000 1.383 276 I HN 0.335 nan 8.210 nan 0.000 0.562 277 V N 7.946 127.753 119.914 -0.179 0.000 2.443 277 V HA 0.363 4.487 4.120 0.006 0.000 0.293 277 V C -0.097 175.860 176.094 -0.228 0.000 1.021 277 V CA -0.592 61.562 62.300 -0.244 0.000 0.848 277 V CB 1.587 33.324 31.823 -0.143 0.000 0.998 277 V HN 0.441 nan 8.190 nan 0.000 0.424 278 L N 4.166 125.164 121.223 -0.375 0.000 2.264 278 L HA 0.641 4.985 4.340 0.006 0.000 0.289 278 L C 0.225 176.999 176.870 -0.160 0.000 1.044 278 L CA 0.169 54.868 54.840 -0.236 0.000 0.807 278 L CB 1.518 43.338 42.059 -0.398 0.000 1.192 278 L HN 0.614 nan 8.230 nan 0.000 0.425 279 S N 0.860 116.545 115.700 -0.024 0.000 2.599 279 S HA 0.311 4.785 4.470 0.006 0.000 0.294 279 S C -0.440 174.174 174.600 0.024 0.000 1.094 279 S CA -0.537 57.587 58.200 -0.125 0.000 0.931 279 S CB 1.740 64.776 63.200 -0.273 0.000 1.093 279 S HN 0.764 nan 8.310 nan 0.000 0.488 280 D N 1.002 121.377 120.400 -0.041 0.000 2.697 280 D HA -0.147 4.496 4.640 0.006 0.000 0.238 280 D C -0.712 175.747 176.300 0.265 0.000 1.152 280 D CA 0.347 54.453 54.000 0.177 0.000 0.666 280 D CB -1.244 39.739 40.800 0.305 0.000 1.037 280 D HN 0.223 nan 8.370 nan 0.000 0.423 281 V N 1.262 121.325 119.914 0.248 0.000 2.432 281 V HA 0.553 4.677 4.120 0.006 0.000 0.271 281 V C 0.937 177.197 176.094 0.277 0.000 1.046 281 V CA 0.254 62.748 62.300 0.324 0.000 0.945 281 V CB 1.357 33.359 31.823 0.299 0.000 0.992 281 V HN 0.493 nan 8.190 nan 0.000 0.471 282 S N 4.441 120.347 115.700 0.343 0.000 2.632 282 S HA 0.776 5.250 4.470 0.006 0.000 0.289 282 S C -1.291 173.520 174.600 0.351 0.000 1.115 282 S CA -0.801 57.567 58.200 0.280 0.000 0.889 282 S CB 2.016 65.340 63.200 0.207 0.000 1.116 282 S HN 0.582 nan 8.310 nan 0.000 0.486 283 Y N 1.604 121.991 120.300 0.146 0.000 2.361 283 Y HA 0.506 5.060 4.550 0.006 0.000 0.337 283 Y C -0.488 175.456 175.900 0.074 0.000 0.965 283 Y CA -0.739 57.388 58.100 0.045 0.000 1.091 283 Y CB 1.563 40.046 38.460 0.038 0.000 1.182 283 Y HN 0.847 nan 8.280 nan 0.000 0.450 284 N N 4.813 123.286 118.700 -0.378 0.000 2.448 284 N HA 0.019 4.763 4.740 0.006 0.000 0.250 284 N C -1.203 174.214 175.510 -0.155 0.000 1.136 284 N CA 0.075 53.003 53.050 -0.203 0.000 0.953 284 N CB 0.208 38.553 38.487 -0.237 0.000 1.251 284 N HN 0.650 nan 8.380 nan 0.000 0.502 285 D N 2.606 123.105 120.400 0.164 0.000 2.522 285 D HA 0.082 4.726 4.640 0.006 0.000 0.218 285 D C -0.384 175.982 176.300 0.110 0.000 1.149 285 D CA -0.127 54.023 54.000 0.251 0.000 0.981 285 D CB -0.732 40.316 40.800 0.413 0.000 1.041 285 D HN 0.577 nan 8.370 nan 0.000 0.518 286 H N 1.595 120.716 119.070 0.086 0.000 2.604 286 H HA -0.204 4.356 4.556 0.006 0.000 0.321 286 H C 1.438 176.777 175.328 0.018 0.000 1.132 286 H CA 0.940 57.007 56.048 0.032 0.000 1.129 286 H CB -1.039 28.744 29.762 0.035 0.000 1.526 286 H HN 0.671 nan 8.280 nan 0.000 0.415 287 G N -0.442 108.395 108.800 0.063 0.000 2.254 287 G HA2 -0.342 3.622 3.960 0.006 0.000 0.225 287 G HA3 -0.342 3.622 3.960 0.006 0.000 0.225 287 G C 0.152 175.071 174.900 0.033 0.000 1.003 287 G CA -0.034 45.089 45.100 0.038 0.000 0.622 287 G HN 0.665 nan 8.290 nan 0.000 0.507 288 N N 1.168 119.901 118.700 0.055 0.000 2.469 288 N HA 0.456 5.200 4.740 0.006 0.000 0.239 288 N C 0.111 175.660 175.510 0.064 0.000 1.053 288 N CA -0.123 52.956 53.050 0.048 0.000 0.937 288 N CB 1.074 39.589 38.487 0.048 0.000 1.163 288 N HN 0.233 nan 8.380 nan 0.000 0.509 289 V N 5.274 125.215 119.914 0.046 0.000 2.405 289 V HA 0.259 4.382 4.120 0.006 0.000 0.264 289 V C 0.609 176.756 176.094 0.088 0.000 1.048 289 V CA -0.243 62.095 62.300 0.064 0.000 0.966 289 V CB -0.236 31.610 31.823 0.038 0.000 1.015 289 V HN 0.489 nan 8.190 nan 0.000 0.477 290 R N 5.871 126.463 120.500 0.155 0.000 2.343 290 R HA 0.432 4.776 4.340 0.006 0.000 0.320 290 R C -2.744 173.682 176.300 0.210 0.000 0.956 290 R CA -1.868 54.333 56.100 0.167 0.000 0.836 290 R CB 1.625 32.040 30.300 0.192 0.000 1.151 290 R HN 0.407 nan 8.270 nan 0.000 0.450 291 P HA 0.069 nan 4.420 nan 0.000 0.269 291 P C -0.060 177.279 177.300 0.066 0.000 1.209 291 P CA 0.201 63.371 63.100 0.116 0.000 0.776 291 P CB 0.806 32.559 31.700 0.088 0.000 0.876 292 I N -0.032 120.478 120.570 -0.101 0.000 3.518 292 I HA 0.205 4.378 4.170 0.006 0.000 0.260 292 I C 0.027 175.721 176.117 -0.704 0.000 1.148 292 I CA 0.506 61.472 61.300 -0.556 0.000 1.440 292 I CB 0.169 37.604 38.000 -0.942 0.000 1.485 292 I HN 0.120 nan 8.210 nan 0.000 0.456 293 F N -0.426 119.482 119.950 -0.070 0.000 2.556 293 F HA 0.331 4.862 4.527 0.006 0.000 0.314 293 F C 0.795 176.601 175.800 0.010 0.000 1.106 293 F CA -1.026 56.934 58.000 -0.067 0.000 0.911 293 F CB 1.070 39.984 39.000 -0.144 0.000 1.190 293 F HN -0.092 nan 8.300 nan 0.000 0.448 294 H N 1.414 120.559 119.070 0.126 0.000 2.403 294 H HA 0.273 4.833 4.556 0.006 0.000 0.298 294 H C 0.259 175.579 175.328 -0.014 0.000 1.059 294 H CA 1.425 57.495 56.048 0.037 0.000 1.363 294 H CB 0.456 30.198 29.762 -0.035 0.000 1.410 294 H HN 0.540 nan 8.280 nan 0.000 0.528 295 R N -0.040 120.396 120.500 -0.105 0.000 2.594 295 R HA 0.398 4.741 4.340 0.006 0.000 0.265 295 R C -2.114 174.042 176.300 -0.241 0.000 1.070 295 R CA -0.655 55.307 56.100 -0.229 0.000 0.909 295 R CB 1.365 31.525 30.300 -0.233 0.000 1.243 295 R HN 0.258 nan 8.270 nan 0.000 0.455 296 I N 2.630 123.002 120.570 -0.329 0.000 2.656 296 I HA 0.596 4.770 4.170 0.006 0.000 0.292 296 I C -1.496 174.342 176.117 -0.465 0.000 1.144 296 I CA -0.094 60.959 61.300 -0.411 0.000 1.038 296 I CB 2.075 39.753 38.000 -0.537 0.000 1.244 296 I HN 0.899 nan 8.210 nan 0.000 0.420 297 S N 6.258 121.795 115.700 -0.272 0.000 2.636 297 S HA 0.553 5.026 4.470 0.006 0.000 0.266 297 S C -1.534 173.161 174.600 0.158 0.000 1.147 297 S CA -1.060 57.054 58.200 -0.144 0.000 0.815 297 S CB 1.139 64.242 63.200 -0.161 0.000 1.119 297 S HN 0.586 nan 8.310 nan 0.000 0.470 298 L N 2.598 123.985 121.223 0.273 0.000 2.276 298 L HA 0.495 4.839 4.340 0.006 0.000 0.286 298 L C 1.249 178.169 176.870 0.083 0.000 1.061 298 L CA -0.163 54.803 54.840 0.210 0.000 0.807 298 L CB 1.650 43.865 42.059 0.260 0.000 1.177 298 L HN 1.038 nan 8.230 nan 0.000 0.429 299 S N 0.493 116.225 115.700 0.053 0.000 2.505 299 S HA 0.229 4.703 4.470 0.006 0.000 0.216 299 S C 0.278 174.883 174.600 0.008 0.000 1.018 299 S CA -0.231 58.028 58.200 0.097 0.000 0.911 299 S CB 0.560 63.869 63.200 0.181 0.000 0.818 299 S HN 0.639 nan 8.310 nan 0.000 0.497 300 E N -0.484 119.603 120.200 -0.189 0.000 2.409 300 E HA 0.653 5.006 4.350 0.006 0.000 0.280 300 E C -1.791 174.630 176.600 -0.298 0.000 1.079 300 E CA -0.377 55.852 56.400 -0.285 0.000 0.840 300 E CB 1.368 30.790 29.700 -0.465 0.000 1.309 300 E HN 0.332 nan 8.360 nan 0.000 0.447 301 M N 1.736 121.272 119.600 -0.105 0.000 2.631 301 M HA 0.650 5.134 4.480 0.006 0.000 0.288 301 M C -1.092 175.343 176.300 0.225 0.000 1.260 301 M CA -0.956 54.313 55.300 -0.051 0.000 0.842 301 M CB 2.496 34.935 32.600 -0.269 0.000 1.743 301 M HN 0.592 nan 8.290 nan 0.000 0.461 302 I N 0.652 121.324 120.570 0.170 0.000 2.752 302 I HA 0.507 4.680 4.170 0.006 0.000 0.295 302 I C -1.575 174.527 176.117 -0.026 0.000 1.219 302 I CA -0.713 60.640 61.300 0.089 0.000 1.030 302 I CB 2.107 40.142 38.000 0.058 0.000 1.259 302 I HN 0.424 nan 8.210 nan 0.000 0.423 303 V N 8.181 128.113 119.914 0.030 0.000 2.260 303 V HA 0.343 4.467 4.120 0.006 0.000 0.263 303 V C -2.335 173.805 176.094 0.076 0.000 1.036 303 V CA -1.258 61.033 62.300 -0.015 0.000 0.874 303 V CB 0.509 32.350 31.823 0.029 0.000 1.116 303 V HN 0.524 nan 8.190 nan 0.000 0.454 304 P HA 0.260 nan 4.420 nan 0.000 0.282 304 P C -0.754 176.551 177.300 0.009 0.000 1.262 304 P CA -0.119 63.032 63.100 0.085 0.000 0.773 304 P CB 0.697 32.381 31.700 -0.026 0.000 0.879 305 Y N 1.112 121.460 120.300 0.080 0.000 2.300 305 Y HA 0.404 4.958 4.550 0.006 0.000 0.328 305 Y C 2.025 177.911 175.900 -0.022 0.000 1.270 305 Y CA 0.302 58.439 58.100 0.061 0.000 1.352 305 Y CB 0.807 39.301 38.460 0.057 0.000 1.286 305 Y HN 0.472 nan 8.280 nan 0.000 0.536 306 G N 0.165 109.009 108.800 0.073 0.000 3.453 306 G HA2 0.018 3.981 3.960 0.006 0.000 0.263 306 G HA3 0.018 3.981 3.960 0.006 0.000 0.263 306 G C -0.215 174.613 174.900 -0.119 0.000 1.060 306 G CA -0.160 44.936 45.100 -0.007 0.000 0.793 306 G HN 0.433 nan 8.290 nan 0.000 0.532 307 S N 1.497 117.066 115.700 -0.217 0.000 2.452 307 S HA 0.445 4.918 4.470 0.006 0.000 0.284 307 S C -0.854 173.478 174.600 -0.446 0.000 1.171 307 S CA -1.386 56.545 58.200 -0.449 0.000 1.064 307 S CB 1.784 64.563 63.200 -0.702 0.000 0.967 307 S HN 0.079 nan 8.310 nan 0.000 0.484 308 P HA 0.062 nan 4.420 nan 0.000 0.241 308 P C -0.296 176.871 177.300 -0.221 0.000 1.191 308 P CA 0.258 63.100 63.100 -0.430 0.000 0.771 308 P CB 0.087 31.454 31.700 -0.555 0.000 0.929 309 E N 0.100 120.204 120.200 -0.160 0.000 2.338 309 E HA 0.148 4.502 4.350 0.006 0.000 0.272 309 E C -0.368 176.154 176.600 -0.130 0.000 1.029 309 E CA -0.782 55.593 56.400 -0.042 0.000 0.872 309 E CB 0.366 30.113 29.700 0.077 0.000 1.015 309 E HN 0.051 nan 8.360 nan 0.000 0.417 310 F N 5.043 124.857 119.950 -0.225 0.000 2.518 310 F HA 0.083 4.614 4.527 0.006 0.000 0.359 310 F C -1.358 174.144 175.800 -0.497 0.000 1.118 310 F CA -1.559 56.275 58.000 -0.277 0.000 1.287 310 F CB 0.835 39.741 39.000 -0.156 0.000 1.132 310 F HN 0.343 nan 8.300 nan 0.000 0.587 311 P HA 0.083 nan 4.420 nan 0.000 0.254 311 P C 0.180 177.018 177.300 -0.771 0.000 1.620 311 P CA 0.264 62.553 63.100 -1.353 0.000 1.050 311 P CB -0.133 30.911 31.700 -1.092 0.000 1.539 312 H N 0.751 119.560 119.070 -0.435 0.000 2.546 312 H HA -0.060 4.499 4.556 0.006 0.000 0.277 312 H C 2.084 177.270 175.328 -0.236 0.000 1.004 312 H CA 0.857 56.691 56.048 -0.356 0.000 1.231 312 H CB -0.199 29.339 29.762 -0.373 0.000 1.382 312 H HN 0.386 nan 8.280 nan 0.000 0.580 313 Q N 1.834 121.550 119.800 -0.141 0.000 2.291 313 Q HA -0.148 4.196 4.340 0.006 0.000 0.206 313 Q C 1.373 177.434 176.000 0.101 0.000 0.976 313 Q CA 0.986 56.764 55.803 -0.043 0.000 0.875 313 Q CB -0.345 28.352 28.738 -0.069 0.000 0.927 313 Q HN 0.407 nan 8.270 nan 0.000 0.450 314 R N 0.838 121.329 120.500 -0.014 0.000 2.313 314 R HA 0.148 4.492 4.340 0.006 0.000 0.199 314 R C 0.188 176.499 176.300 0.018 0.000 0.958 314 R CA 0.152 56.274 56.100 0.037 0.000 1.047 314 R CB 0.207 30.449 30.300 -0.097 0.000 0.955 314 R HN 0.160 nan 8.270 nan 0.000 0.481 315 K N 2.220 122.660 120.400 0.067 0.000 2.244 315 K HA 0.077 4.401 4.320 0.006 0.000 0.263 315 K C -0.340 176.525 176.600 0.442 0.000 1.103 315 K CA -0.065 56.301 56.287 0.132 0.000 0.966 315 K CB 0.412 32.742 32.500 -0.283 0.000 1.429 315 K HN 0.299 nan 8.250 nan 0.000 0.434 316 H N 0.202 119.488 119.070 0.359 0.000 3.080 316 H HA 0.205 4.764 4.556 0.006 0.000 0.211 316 H C -0.709 174.752 175.328 0.221 0.000 1.359 316 H CA -0.732 55.470 56.048 0.256 0.000 1.322 316 H CB -0.523 29.308 29.762 0.115 0.000 2.164 316 H HN 0.363 nan 8.280 nan 0.000 0.526 317 A N 2.027 124.979 122.820 0.220 0.000 2.546 317 A HA 0.280 4.604 4.320 0.006 0.000 0.243 317 A C 0.213 177.845 177.584 0.080 0.000 1.063 317 A CA -0.205 51.886 52.037 0.089 0.000 0.757 317 A CB 0.048 19.032 19.000 -0.027 0.000 0.991 317 A HN 0.493 nan 8.150 nan 0.000 0.503 318 L N 3.626 124.872 121.223 0.037 0.000 2.397 318 L HA 0.207 4.551 4.340 0.006 0.000 0.263 318 L C 0.719 177.570 176.870 -0.032 0.000 1.136 318 L CA -0.030 54.837 54.840 0.045 0.000 1.019 318 L CB 0.600 42.714 42.059 0.091 0.000 1.352 318 L HN 0.728 nan 8.230 nan 0.000 0.420 319 D N 1.419 121.821 120.400 0.004 0.000 2.149 319 D HA -0.185 4.458 4.640 0.006 0.000 0.198 319 D C 2.031 178.282 176.300 -0.083 0.000 0.990 319 D CA 1.617 55.664 54.000 0.079 0.000 0.839 319 D CB 0.366 41.228 40.800 0.103 0.000 0.948 319 D HN 0.498 nan 8.370 nan 0.000 0.460 320 I N 0.794 121.253 120.570 -0.184 0.000 2.202 320 I HA -0.139 4.034 4.170 0.006 0.000 0.242 320 I C 2.535 178.454 176.117 -0.329 0.000 1.091 320 I CA 1.300 62.417 61.300 -0.304 0.000 1.368 320 I CB -0.281 37.559 38.000 -0.267 0.000 1.058 320 I HN -0.003 nan 8.210 nan 0.000 0.410 321 G N -0.297 108.349 108.800 -0.255 0.000 2.511 321 G HA2 -0.118 3.846 3.960 0.006 0.000 0.217 321 G HA3 -0.118 3.846 3.960 0.006 0.000 0.217 321 G C 1.466 176.225 174.900 -0.235 0.000 1.133 321 G CA 0.291 45.233 45.100 -0.263 0.000 0.792 321 G HN 0.398 nan 8.290 nan 0.000 0.539 322 E N -1.513 118.503 120.200 -0.306 0.000 2.389 322 E HA 0.141 4.494 4.350 0.006 0.000 0.199 322 E C 1.025 177.201 176.600 -0.707 0.000 0.978 322 E CA 0.264 56.352 56.400 -0.519 0.000 0.912 322 E CB 0.362 29.644 29.700 -0.695 0.000 0.907 322 E HN 0.580 nan 8.360 nan 0.000 0.494 323 Y N -0.472 119.789 120.300 -0.065 0.000 2.723 323 Y HA 0.358 4.912 4.550 0.006 0.000 0.272 323 Y C 0.766 176.650 175.900 -0.026 0.000 1.142 323 Y CA 0.224 58.309 58.100 -0.024 0.000 1.217 323 Y CB 1.168 39.596 38.460 -0.053 0.000 1.391 323 Y HN -0.038 nan 8.280 nan 0.000 0.479 324 G N 0.707 109.454 108.800 -0.089 0.000 3.434 324 G HA2 0.166 4.130 3.960 0.006 0.000 0.686 324 G HA3 0.166 4.130 3.960 0.006 0.000 0.686 324 G C 0.509 175.143 174.900 -0.443 0.000 1.099 324 G CA -0.350 44.550 45.100 -0.334 0.000 0.931 324 G HN 0.616 nan 8.290 nan 0.000 0.520 325 A N 1.172 123.585 122.820 -0.677 0.000 2.121 325 A HA 0.366 4.690 4.320 0.006 0.000 0.218 325 A C 2.512 179.872 177.584 -0.375 0.000 1.154 325 A CA 2.414 53.907 52.037 -0.907 0.000 0.679 325 A CB -0.281 18.218 19.000 -0.834 0.000 0.795 325 A HN 2.109 nan 8.150 nan 0.000 0.458 326 G N -1.553 107.029 108.800 -0.363 0.000 2.417 326 G HA2 -0.051 3.912 3.960 0.006 0.000 0.212 326 G HA3 -0.051 3.912 3.960 0.006 0.000 0.212 326 G C 1.373 176.384 174.900 0.185 0.000 1.187 326 G CA 0.755 45.836 45.100 -0.032 0.000 0.804 326 G HN 0.397 nan 8.290 nan 0.000 0.534 327 Y N 0.583 120.723 120.300 -0.266 0.000 2.193 327 Y HA 0.000 4.554 4.550 0.006 0.000 0.285 327 Y C 2.724 178.648 175.900 0.040 0.000 1.166 327 Y CA 0.572 58.524 58.100 -0.247 0.000 1.181 327 Y CB -0.125 38.203 38.460 -0.220 0.000 0.976 327 Y HN 0.108 nan 8.280 nan 0.000 0.520 328 M N -0.948 118.774 119.600 0.203 0.000 2.494 328 M HA 0.069 4.553 4.480 0.006 0.000 0.232 328 M C 0.700 177.193 176.300 0.322 0.000 1.137 328 M CA 0.213 55.650 55.300 0.229 0.000 1.012 328 M CB -1.087 31.635 32.600 0.203 0.000 1.567 328 M HN -0.090 nan 8.290 nan 0.000 0.486 329 T N 2.253 117.022 114.554 0.359 0.000 2.919 329 T HA 0.146 4.499 4.350 0.006 0.000 0.302 329 T C 0.340 175.204 174.700 0.274 0.000 1.031 329 T CA 0.023 62.357 62.100 0.390 0.000 1.127 329 T CB 0.425 69.596 68.868 0.505 0.000 0.952 329 T HN 0.376 nan 8.240 nan 0.000 0.540 330 N N 4.672 123.501 118.700 0.215 0.000 2.514 330 N HA 0.265 5.008 4.740 0.006 0.000 0.277 330 N C -2.641 172.914 175.510 0.075 0.000 1.126 330 N CA -1.555 51.574 53.050 0.130 0.000 0.978 330 N CB 1.000 39.547 38.487 0.100 0.000 1.106 330 N HN 0.394 nan 8.380 nan 0.000 0.461 331 P HA 0.038 nan 4.420 nan 0.000 0.271 331 P C 0.156 177.429 177.300 -0.046 0.000 1.226 331 P CA 0.138 63.215 63.100 -0.039 0.000 0.765 331 P CB 0.651 32.324 31.700 -0.045 0.000 0.835 332 L N 1.649 122.817 121.223 -0.091 0.000 2.509 332 L HA -0.036 4.308 4.340 0.006 0.000 0.222 332 L C 2.368 179.214 176.870 -0.040 0.000 1.123 332 L CA 0.618 55.443 54.840 -0.025 0.000 0.856 332 L CB -0.526 41.584 42.059 0.086 0.000 0.985 332 L HN 0.395 nan 8.230 nan 0.000 0.456 333 S N 0.939 116.533 115.700 -0.178 0.000 2.372 333 S HA -0.185 4.289 4.470 0.006 0.000 0.227 333 S C 1.756 176.354 174.600 -0.003 0.000 1.044 333 S CA 1.586 59.718 58.200 -0.113 0.000 1.050 333 S CB -0.120 62.977 63.200 -0.171 0.000 0.901 333 S HN 0.436 nan 8.310 nan 0.000 0.447 334 L N 0.473 121.691 121.223 -0.009 0.000 2.592 334 L HA 0.251 4.595 4.340 0.006 0.000 0.227 334 L C 2.302 179.186 176.870 0.024 0.000 1.127 334 L CA 0.405 55.253 54.840 0.013 0.000 0.884 334 L CB -0.365 41.701 42.059 0.012 0.000 1.065 334 L HN 0.414 nan 8.230 nan 0.000 0.457 335 G N -1.545 107.273 108.800 0.029 0.000 2.744 335 G HA2 -0.106 3.858 3.960 0.006 0.000 0.211 335 G HA3 -0.106 3.858 3.960 0.006 0.000 0.211 335 G C 1.068 175.988 174.900 0.033 0.000 1.143 335 G CA 0.442 45.562 45.100 0.033 0.000 0.788 335 G HN 0.526 nan 8.290 nan 0.000 0.534 336 C N -0.186 119.135 119.300 0.035 0.000 4.233 336 C HA -0.158 4.306 4.460 0.006 0.000 0.292 336 C C 1.098 176.099 174.990 0.019 0.000 1.469 336 C CA 0.742 59.773 59.018 0.022 0.000 2.013 336 C CB -2.116 25.631 27.740 0.011 0.000 1.282 336 C HN 0.579 nan 8.230 nan 0.000 0.796 337 D N -1.153 119.270 120.400 0.038 0.000 2.479 337 D HA 0.277 4.921 4.640 0.006 0.000 0.218 337 D C 0.238 176.540 176.300 0.003 0.000 1.177 337 D CA 0.038 54.067 54.000 0.049 0.000 0.830 337 D CB 0.139 41.007 40.800 0.113 0.000 1.014 337 D HN 0.615 nan 8.370 nan 0.000 0.503 338 C N 1.717 121.000 119.300 -0.029 0.000 2.987 338 C HA 0.399 4.862 4.460 0.006 0.000 0.262 338 C C 0.499 175.383 174.990 -0.176 0.000 1.531 338 C CA -1.348 57.593 59.018 -0.128 0.000 1.571 338 C CB -1.038 26.733 27.740 0.050 0.000 2.381 338 C HN 0.020 nan 8.230 nan 0.000 0.519 339 K N 1.474 121.734 120.400 -0.233 0.000 2.382 339 K HA 0.503 4.827 4.320 0.006 0.000 0.275 339 K C 1.002 177.515 176.600 -0.145 0.000 1.009 339 K CA 1.555 57.754 56.287 -0.147 0.000 0.970 339 K CB 0.667 33.100 32.500 -0.112 0.000 0.934 339 K HN 0.820 nan 8.250 nan 0.000 0.479 340 G N 0.567 109.332 108.800 -0.058 0.000 2.482 340 G HA2 -0.234 3.730 3.960 0.006 0.000 0.214 340 G HA3 -0.234 3.730 3.960 0.006 0.000 0.214 340 G C -1.040 173.857 174.900 -0.005 0.000 1.271 340 G CA -0.638 44.454 45.100 -0.012 0.000 0.944 340 G HN 0.458 nan 8.290 nan 0.000 0.568 341 V N 1.553 121.485 119.914 0.031 0.000 2.348 341 V HA 0.585 4.708 4.120 0.006 0.000 0.270 341 V C 0.628 176.779 176.094 0.094 0.000 1.037 341 V CA 0.558 62.875 62.300 0.029 0.000 0.872 341 V CB 0.216 32.043 31.823 0.007 0.000 1.002 341 V HN 1.144 nan 8.190 nan 0.000 0.464 342 I N 1.872 122.461 120.570 0.031 0.000 3.108 342 I HA 0.721 4.894 4.170 0.006 0.000 0.312 342 I C -0.668 175.464 176.117 0.026 0.000 1.095 342 I CA -1.040 60.277 61.300 0.029 0.000 1.000 342 I CB 2.065 39.920 38.000 -0.242 0.000 1.229 342 I HN 0.543 nan 8.210 nan 0.000 0.454 343 H N 0.722 119.751 119.070 -0.068 0.000 2.572 343 H HA 0.703 5.263 4.556 0.006 0.000 0.359 343 H C -1.858 173.358 175.328 -0.188 0.000 1.134 343 H CA -0.417 55.593 56.048 -0.064 0.000 1.187 343 H CB 1.294 31.115 29.762 0.099 0.000 1.597 343 H HN 0.547 nan 8.280 nan 0.000 0.524 344 Y N 3.180 123.394 120.300 -0.143 0.000 2.509 344 Y HA 0.454 5.007 4.550 0.006 0.000 0.341 344 Y C -0.685 175.187 175.900 -0.047 0.000 1.038 344 Y CA -0.925 57.138 58.100 -0.062 0.000 1.089 344 Y CB 1.597 39.993 38.460 -0.105 0.000 1.241 344 Y HN 0.419 nan 8.280 nan 0.000 0.468 345 L N 2.570 123.876 121.223 0.138 0.000 2.362 345 L HA 0.494 4.838 4.340 0.006 0.000 0.271 345 L C -0.991 175.777 176.870 -0.171 0.000 1.002 345 L CA -1.030 53.802 54.840 -0.014 0.000 0.818 345 L CB 1.784 43.812 42.059 -0.052 0.000 1.298 345 L HN 0.524 nan 8.230 nan 0.000 0.420 346 D N 1.422 121.687 120.400 -0.224 0.000 2.253 346 D HA 0.596 5.239 4.640 0.006 0.000 0.249 346 D C -0.300 175.618 176.300 -0.636 0.000 1.049 346 D CA -0.087 53.674 54.000 -0.397 0.000 0.929 346 D CB 2.107 42.701 40.800 -0.343 0.000 1.176 346 D HN 0.567 nan 8.370 nan 0.000 0.437 347 A N 1.629 123.998 122.820 -0.751 0.000 2.337 347 A HA 0.615 4.938 4.320 0.006 0.000 0.329 347 A C -1.052 175.897 177.584 -1.059 0.000 1.146 347 A CA -0.557 51.002 52.037 -0.797 0.000 0.800 347 A CB 0.509 19.140 19.000 -0.615 0.000 1.220 347 A HN 0.677 nan 8.150 nan 0.000 0.472 348 H N 0.509 119.257 119.070 -0.538 0.000 2.609 348 H HA 0.650 5.210 4.556 0.006 0.000 0.344 348 H C -1.298 173.827 175.328 -0.339 0.000 1.040 348 H CA -0.220 55.584 56.048 -0.408 0.000 1.216 348 H CB 1.427 31.106 29.762 -0.138 0.000 1.529 348 H HN 0.548 nan 8.280 nan 0.000 0.519 349 F N -0.287 119.828 119.950 0.274 0.000 2.691 349 F HA 0.545 5.075 4.527 0.006 0.000 0.334 349 F C 0.473 176.373 175.800 0.166 0.000 1.107 349 F CA -1.215 56.942 58.000 0.262 0.000 0.991 349 F CB 1.475 40.720 39.000 0.408 0.000 1.400 349 F HN 0.374 nan 8.300 nan 0.000 0.503 350 S N 0.011 115.927 115.700 0.359 0.000 2.549 350 S HA 0.526 5.000 4.470 0.006 0.000 0.297 350 S C -0.973 173.716 174.600 0.150 0.000 1.115 350 S CA -0.778 57.517 58.200 0.159 0.000 1.059 350 S CB 0.520 63.744 63.200 0.039 0.000 1.046 350 S HN 0.604 nan 8.310 nan 0.000 0.506 351 D N 2.738 123.189 120.400 0.085 0.000 2.478 351 D HA 0.289 4.933 4.640 0.006 0.000 0.269 351 D C 1.093 177.446 176.300 0.088 0.000 1.232 351 D CA -0.515 53.522 54.000 0.063 0.000 1.059 351 D CB 0.277 41.106 40.800 0.049 0.000 1.104 351 D HN 0.551 nan 8.370 nan 0.000 0.566 352 R N -0.739 119.808 120.500 0.079 0.000 2.120 352 R HA -0.031 4.313 4.340 0.006 0.000 0.234 352 R C 1.912 178.323 176.300 0.186 0.000 1.123 352 R CA 1.424 57.595 56.100 0.119 0.000 0.975 352 R CB -0.433 29.900 30.300 0.056 0.000 0.866 352 R HN 0.580 nan 8.270 nan 0.000 0.446 353 A N -0.261 122.632 122.820 0.120 0.000 2.167 353 A HA 0.137 4.461 4.320 0.006 0.000 0.214 353 A C 1.455 179.094 177.584 0.092 0.000 1.151 353 A CA 1.020 53.127 52.037 0.115 0.000 0.735 353 A CB -0.088 18.945 19.000 0.056 0.000 0.802 353 A HN 0.462 nan 8.150 nan 0.000 0.467 354 G N -0.783 108.010 108.800 -0.012 0.000 2.141 354 G HA2 -0.157 3.807 3.960 0.006 0.000 0.231 354 G HA3 -0.157 3.807 3.960 0.006 0.000 0.231 354 G C -0.520 174.233 174.900 -0.246 0.000 0.984 354 G CA 0.121 44.983 45.100 -0.397 0.000 0.660 354 G HN 0.455 nan 8.290 nan 0.000 0.525 355 D N 1.090 121.432 120.400 -0.097 0.000 2.193 355 D HA 0.511 5.154 4.640 0.006 0.000 0.249 355 D C -2.336 173.949 176.300 -0.026 0.000 1.034 355 D CA -1.372 52.593 54.000 -0.059 0.000 0.902 355 D CB 1.550 42.337 40.800 -0.021 0.000 1.182 355 D HN 0.062 nan 8.370 nan 0.000 0.436 356 P HA 0.215 nan 4.420 nan 0.000 0.271 356 P C -0.421 176.910 177.300 0.052 0.000 1.216 356 P CA -0.203 62.907 63.100 0.018 0.000 0.776 356 P CB 0.502 32.188 31.700 -0.022 0.000 0.881 357 I N -1.430 119.204 120.570 0.107 0.000 2.785 357 I HA 0.712 4.886 4.170 0.006 0.000 0.302 357 I C -0.902 175.274 176.117 0.098 0.000 1.069 357 I CA -0.681 60.687 61.300 0.113 0.000 1.045 357 I CB 2.626 40.715 38.000 0.150 0.000 1.236 357 I HN 0.047 nan 8.210 nan 0.000 0.429 358 T N 3.839 118.433 114.554 0.067 0.000 2.824 358 T HA 0.513 4.866 4.350 0.006 0.000 0.282 358 T C -0.541 174.121 174.700 -0.063 0.000 0.993 358 T CA -0.473 61.625 62.100 -0.004 0.000 0.967 358 T CB 2.008 70.928 68.868 0.086 0.000 0.960 358 T HN 0.430 nan 8.240 nan 0.000 0.441 359 V N 4.797 124.601 119.914 -0.184 0.000 2.328 359 V HA 0.344 4.467 4.120 0.006 0.000 0.278 359 V C 0.240 176.216 176.094 -0.197 0.000 1.021 359 V CA -1.016 61.220 62.300 -0.107 0.000 0.838 359 V CB 1.001 32.824 31.823 0.001 0.000 0.999 359 V HN 0.647 nan 8.190 nan 0.000 0.447 360 K N 3.493 123.804 120.400 -0.148 0.000 2.350 360 K HA 0.207 4.531 4.320 0.006 0.000 0.279 360 K C 0.664 177.112 176.600 -0.252 0.000 1.027 360 K CA 0.173 56.347 56.287 -0.188 0.000 0.969 360 K CB 0.044 32.454 32.500 -0.151 0.000 0.954 360 K HN 0.814 nan 8.250 nan 0.000 0.474 361 N N 0.822 119.329 118.700 -0.320 0.000 2.714 361 N HA -0.268 4.476 4.740 0.006 0.000 0.253 361 N C 0.403 175.763 175.510 -0.251 0.000 1.024 361 N CA 0.392 53.173 53.050 -0.449 0.000 0.726 361 N CB -0.717 37.181 38.487 -0.982 0.000 0.908 361 N HN 0.720 nan 8.380 nan 0.000 0.542 362 A N -0.634 122.040 122.820 -0.244 0.000 1.968 362 A HA 0.164 4.488 4.320 0.006 0.000 0.217 362 A C 0.888 178.376 177.584 -0.160 0.000 1.169 362 A CA 1.042 52.934 52.037 -0.241 0.000 0.638 362 A CB 0.640 19.332 19.000 -0.513 0.000 0.812 362 A HN 0.187 nan 8.150 nan 0.000 0.446 363 V N -0.626 119.210 119.914 -0.130 0.000 2.495 363 V HA 0.377 4.501 4.120 0.006 0.000 0.298 363 V C -0.427 175.775 176.094 0.180 0.000 1.031 363 V CA -0.982 61.330 62.300 0.020 0.000 0.871 363 V CB 1.113 32.917 31.823 -0.032 0.000 0.988 363 V HN 0.384 nan 8.190 nan 0.000 0.432 364 C N 7.074 126.488 119.300 0.190 0.000 2.329 364 C HA 0.801 5.264 4.460 0.006 0.000 0.329 364 C C -0.405 174.651 174.990 0.111 0.000 1.275 364 C CA -0.401 58.717 59.018 0.167 0.000 1.726 364 C CB -0.726 27.136 27.740 0.202 0.000 2.291 364 C HN 0.807 nan 8.230 nan 0.000 0.514 365 I N 8.082 128.663 120.570 0.018 0.000 2.436 365 I HA 0.559 4.732 4.170 0.006 0.000 0.289 365 I C -0.114 175.951 176.117 -0.086 0.000 1.010 365 I CA -0.011 61.219 61.300 -0.116 0.000 1.098 365 I CB 1.327 39.159 38.000 -0.279 0.000 1.266 365 I HN 0.859 nan 8.210 nan 0.000 0.434 366 H N 4.675 123.597 119.070 -0.246 0.000 2.981 366 H HA 0.536 5.096 4.556 0.006 0.000 0.327 366 H C -1.925 173.344 175.328 -0.097 0.000 1.342 366 H CA -1.036 54.969 56.048 -0.072 0.000 1.123 366 H CB 1.652 31.418 29.762 0.006 0.000 1.851 366 H HN 0.615 nan 8.280 nan 0.000 0.531 367 E N 1.245 121.487 120.200 0.070 0.000 2.227 367 E HA 0.591 4.945 4.350 0.006 0.000 0.268 367 E C -1.092 175.556 176.600 0.081 0.000 0.907 367 E CA -0.889 55.486 56.400 -0.043 0.000 0.786 367 E CB 2.996 32.770 29.700 0.124 0.000 1.191 367 E HN 0.640 nan 8.360 nan 0.000 0.411 368 E N 1.180 121.393 120.200 0.022 0.000 2.367 368 E HA 0.129 4.483 4.350 0.006 0.000 0.273 368 E C -1.326 175.318 176.600 0.073 0.000 0.903 368 E CA -0.946 55.498 56.400 0.074 0.000 0.764 368 E CB 2.047 31.772 29.700 0.042 0.000 1.252 368 E HN 0.555 nan 8.360 nan 0.000 0.446 369 D N 1.266 121.708 120.400 0.070 0.000 2.455 369 D HA -0.051 4.592 4.640 0.006 0.000 0.241 369 D C -0.625 175.698 176.300 0.038 0.000 1.138 369 D CA 0.575 54.609 54.000 0.058 0.000 0.877 369 D CB 0.896 41.721 40.800 0.041 0.000 1.187 369 D HN 0.329 nan 8.370 nan 0.000 0.451 370 D N 2.100 122.524 120.400 0.040 0.000 2.804 370 D HA 0.316 4.960 4.640 0.006 0.000 0.308 370 D C 0.629 176.936 176.300 0.012 0.000 1.371 370 D CA 0.393 54.408 54.000 0.024 0.000 0.823 370 D CB -0.108 40.718 40.800 0.043 0.000 1.126 370 D HN 0.718 nan 8.370 nan 0.000 0.467 371 G N 0.280 109.083 108.800 0.004 0.000 2.553 371 G HA2 -0.254 3.710 3.960 0.006 0.000 0.242 371 G HA3 -0.254 3.710 3.960 0.006 0.000 0.242 371 G C -0.360 174.529 174.900 -0.019 0.000 1.277 371 G CA -0.245 44.851 45.100 -0.007 0.000 0.910 371 G HN 0.289 nan 8.290 nan 0.000 0.576 372 L N 0.512 121.721 121.223 -0.025 0.000 2.349 372 L HA 0.413 4.756 4.340 0.006 0.000 0.275 372 L C 1.718 178.547 176.870 -0.068 0.000 1.115 372 L CA -0.692 54.117 54.840 -0.052 0.000 0.820 372 L CB 1.196 43.237 42.059 -0.029 0.000 1.135 372 L HN 0.581 nan 8.230 nan 0.000 0.445 373 L N 3.897 125.010 121.223 -0.184 0.000 2.145 373 L HA 0.253 4.597 4.340 0.006 0.000 0.201 373 L C -0.056 176.736 176.870 -0.129 0.000 1.075 373 L CA 1.361 56.065 54.840 -0.228 0.000 0.773 373 L CB 0.216 41.992 42.059 -0.472 0.000 0.936 373 L HN 0.575 nan 8.230 nan 0.000 0.451 374 F N -2.757 117.216 119.950 0.038 0.000 2.741 374 F HA 0.577 5.108 4.527 0.006 0.000 0.311 374 F C -0.717 175.114 175.800 0.051 0.000 1.149 374 F CA -1.417 56.607 58.000 0.039 0.000 0.930 374 F CB 0.910 39.929 39.000 0.033 0.000 1.312 374 F HN -0.232 nan 8.300 nan 0.000 0.450 375 K N 0.733 121.330 120.400 0.329 0.000 2.562 375 K HA 0.596 4.920 4.320 0.006 0.000 0.267 375 K C -2.495 174.265 176.600 0.266 0.000 0.938 375 K CA -0.815 55.615 56.287 0.238 0.000 0.840 375 K CB 2.289 34.856 32.500 0.112 0.000 1.390 375 K HN 1.032 nan 8.250 nan 0.000 0.428 376 H N 0.178 119.320 119.070 0.120 0.000 3.029 376 H HA 0.525 5.085 4.556 0.006 0.000 0.358 376 H C -1.866 173.522 175.328 0.100 0.000 1.129 376 H CA -0.260 55.841 56.048 0.089 0.000 1.230 376 H CB 2.037 31.845 29.762 0.077 0.000 1.827 376 H HN 0.532 nan 8.280 nan 0.000 0.530 377 S N 2.904 118.250 115.700 -0.589 0.000 2.568 377 S HA 0.246 4.720 4.470 0.006 0.000 0.293 377 S C -1.296 173.112 174.600 -0.320 0.000 1.089 377 S CA -0.912 57.116 58.200 -0.287 0.000 0.945 377 S CB 1.661 64.838 63.200 -0.038 0.000 1.077 377 S HN 0.673 nan 8.310 nan 0.000 0.485 378 D N 1.405 121.785 120.400 -0.033 0.000 2.274 378 D HA 0.254 4.897 4.640 0.006 0.000 0.239 378 D C 0.864 177.118 176.300 -0.076 0.000 1.104 378 D CA -0.921 53.040 54.000 -0.065 0.000 0.840 378 D CB 0.568 41.294 40.800 -0.123 0.000 1.100 378 D HN 0.455 nan 8.370 nan 0.000 0.477 379 F N 3.354 123.291 119.950 -0.022 0.000 2.333 379 F HA -0.004 4.527 4.527 0.006 0.000 0.300 379 F C 1.794 177.407 175.800 -0.312 0.000 1.083 379 F CA 0.414 58.188 58.000 -0.378 0.000 1.395 379 F CB -0.281 38.624 39.000 -0.158 0.000 1.056 379 F HN 0.205 nan 8.300 nan 0.000 0.529 380 R N 0.924 120.970 120.500 -0.757 0.000 2.096 380 R HA -0.126 4.218 4.340 0.006 0.000 0.235 380 R C 0.517 176.680 176.300 -0.227 0.000 1.127 380 R CA 1.540 57.346 56.100 -0.490 0.000 0.968 380 R CB -0.621 29.364 30.300 -0.525 0.000 0.861 380 R HN 0.517 nan 8.270 nan 0.000 0.440 381 D N -1.300 118.973 120.400 -0.212 0.000 2.755 381 D HA 0.072 4.715 4.640 0.006 0.000 0.257 381 D C -0.728 175.485 176.300 -0.146 0.000 1.291 381 D CA -0.577 53.344 54.000 -0.132 0.000 0.836 381 D CB -0.437 40.314 40.800 -0.081 0.000 1.059 381 D HN -0.104 nan 8.370 nan 0.000 0.486 382 N N 0.446 118.987 118.700 -0.264 0.000 2.714 382 N HA -0.274 4.470 4.740 0.006 0.000 0.252 382 N C -0.693 174.648 175.510 -0.282 0.000 1.014 382 N CA 0.597 53.407 53.050 -0.400 0.000 0.735 382 N CB -1.223 37.156 38.487 -0.181 0.000 0.924 382 N HN 0.292 nan 8.380 nan 0.000 0.540 383 F N -5.300 114.654 119.950 0.006 0.000 2.840 383 F HA -0.343 4.187 4.527 0.006 0.000 0.310 383 F C 1.772 177.578 175.800 0.010 0.000 0.688 383 F CA 0.594 58.589 58.000 -0.007 0.000 1.286 383 F CB -1.979 37.021 39.000 -0.001 0.000 1.612 383 F HN 0.315 nan 8.300 nan 0.000 0.335 384 A N -0.959 121.934 122.820 0.122 0.000 1.902 384 A HA -0.070 4.253 4.320 0.006 0.000 0.217 384 A C 1.474 179.135 177.584 0.127 0.000 1.181 384 A CA 2.015 54.121 52.037 0.114 0.000 0.623 384 A CB -0.590 18.445 19.000 0.058 0.000 0.818 384 A HN 0.366 nan 8.150 nan 0.000 0.443 385 T N 0.998 115.598 114.554 0.077 0.000 2.738 385 T HA 0.437 4.791 4.350 0.006 0.000 0.293 385 T C -0.240 174.517 174.700 0.094 0.000 0.913 385 T CA 0.600 62.737 62.100 0.061 0.000 1.103 385 T CB 0.237 69.111 68.868 0.011 0.000 0.880 385 T HN 0.310 nan 8.240 nan 0.000 0.526 386 S N 3.383 119.157 115.700 0.124 0.000 2.535 386 S HA 0.693 5.167 4.470 0.006 0.000 0.272 386 S C -1.764 172.933 174.600 0.161 0.000 1.149 386 S CA -0.881 57.412 58.200 0.155 0.000 0.888 386 S CB 1.066 64.409 63.200 0.238 0.000 1.110 386 S HN 0.678 nan 8.310 nan 0.000 0.463 387 L N 4.343 125.664 121.223 0.164 0.000 2.436 387 L HA 0.941 5.285 4.340 0.006 0.000 0.268 387 L C -1.500 175.492 176.870 0.204 0.000 0.974 387 L CA -0.539 54.403 54.840 0.170 0.000 0.826 387 L CB 1.787 43.939 42.059 0.156 0.000 1.291 387 L HN 0.566 nan 8.230 nan 0.000 0.406 388 V N 3.651 123.679 119.914 0.189 0.000 2.686 388 V HA 0.714 4.838 4.120 0.006 0.000 0.306 388 V C -0.937 175.183 176.094 0.042 0.000 1.065 388 V CA 0.114 62.488 62.300 0.124 0.000 0.894 388 V CB 2.537 34.420 31.823 0.099 0.000 1.004 388 V HN 0.870 nan 8.190 nan 0.000 0.424 389 T N 7.086 121.567 114.554 -0.121 0.000 2.879 389 T HA 0.540 4.894 4.350 0.006 0.000 0.290 389 T C -0.415 174.103 174.700 -0.304 0.000 0.993 389 T CA -0.562 61.375 62.100 -0.271 0.000 0.975 389 T CB 1.228 69.757 68.868 -0.564 0.000 0.981 389 T HN 0.717 nan 8.240 nan 0.000 0.439 390 R N 1.405 121.809 120.500 -0.161 0.000 2.459 390 R HA 0.721 5.065 4.340 0.006 0.000 0.281 390 R C 0.050 176.289 176.300 -0.103 0.000 1.050 390 R CA -0.644 55.391 56.100 -0.107 0.000 1.055 390 R CB 0.990 31.267 30.300 -0.039 0.000 1.045 390 R HN 0.685 nan 8.270 nan 0.000 0.495 391 A N 1.561 124.347 122.820 -0.056 0.000 2.304 391 A HA 0.464 4.787 4.320 0.006 0.000 0.301 391 A C -0.370 177.266 177.584 0.087 0.000 1.132 391 A CA -0.331 51.711 52.037 0.008 0.000 0.819 391 A CB 1.071 20.085 19.000 0.023 0.000 1.094 391 A HN 0.618 nan 8.150 nan 0.000 0.492 392 T N 2.085 116.750 114.554 0.185 0.000 2.856 392 T HA 0.568 4.921 4.350 0.006 0.000 0.283 392 T C -0.386 174.561 174.700 0.412 0.000 1.008 392 T CA -0.686 61.585 62.100 0.284 0.000 0.997 392 T CB 1.318 70.413 68.868 0.378 0.000 0.992 392 T HN 0.765 nan 8.240 nan 0.000 0.454 393 K N 1.526 122.049 120.400 0.205 0.000 2.318 393 K HA 0.778 5.101 4.320 0.006 0.000 0.249 393 K C -1.418 174.967 176.600 -0.359 0.000 0.942 393 K CA -1.106 55.204 56.287 0.038 0.000 0.808 393 K CB 1.771 34.271 32.500 -0.000 0.000 1.189 393 K HN 0.352 nan 8.250 nan 0.000 0.428 394 L N 2.346 123.091 121.223 -0.797 0.000 2.296 394 L HA 0.412 4.755 4.340 0.006 0.000 0.286 394 L C -1.426 175.184 176.870 -0.434 0.000 1.023 394 L CA -0.467 53.823 54.840 -0.916 0.000 0.812 394 L CB 1.810 42.977 42.059 -1.487 0.000 1.223 394 L HN 0.575 nan 8.230 nan 0.000 0.421 395 V N 5.759 125.402 119.914 -0.452 0.000 2.448 395 V HA 0.508 4.632 4.120 0.006 0.000 0.295 395 V C -0.556 175.466 176.094 -0.120 0.000 1.025 395 V CA -0.716 61.439 62.300 -0.242 0.000 0.859 395 V CB 1.819 33.421 31.823 -0.368 0.000 0.988 395 V HN 0.485 nan 8.190 nan 0.000 0.431 396 V N 4.558 124.532 119.914 0.099 0.000 2.357 396 V HA 0.712 4.836 4.120 0.006 0.000 0.284 396 V C 0.117 176.376 176.094 0.274 0.000 1.018 396 V CA -0.175 62.220 62.300 0.158 0.000 0.841 396 V CB 1.535 33.476 31.823 0.196 0.000 0.991 396 V HN 1.028 nan 8.190 nan 0.000 0.437 397 S N 4.457 120.285 115.700 0.213 0.000 2.595 397 S HA 0.929 5.403 4.470 0.006 0.000 0.281 397 S C -1.035 173.640 174.600 0.125 0.000 1.117 397 S CA -0.824 57.455 58.200 0.132 0.000 0.873 397 S CB 2.533 65.778 63.200 0.074 0.000 1.108 397 S HN 0.840 nan 8.310 nan 0.000 0.477 398 Q N 0.431 120.267 119.800 0.059 0.000 2.511 398 Q HA 0.775 5.118 4.340 0.006 0.000 0.289 398 Q C -1.711 174.314 176.000 0.042 0.000 1.021 398 Q CA -1.117 54.768 55.803 0.138 0.000 0.785 398 Q CB 1.532 30.473 28.738 0.339 0.000 1.472 398 Q HN 0.738 nan 8.270 nan 0.000 0.411 399 I N 2.161 122.795 120.570 0.107 0.000 2.499 399 I HA 0.531 4.704 4.170 0.006 0.000 0.288 399 I C -1.115 175.124 176.117 0.204 0.000 1.048 399 I CA -0.943 60.392 61.300 0.058 0.000 1.062 399 I CB 1.485 39.488 38.000 0.005 0.000 1.238 399 I HN 0.701 nan 8.210 nan 0.000 0.426 400 F N 2.858 122.890 119.950 0.137 0.000 2.561 400 F HA 0.801 5.332 4.527 0.006 0.000 0.321 400 F C -0.620 175.277 175.800 0.162 0.000 1.065 400 F CA -0.638 57.457 58.000 0.157 0.000 0.934 400 F CB 1.719 40.817 39.000 0.163 0.000 1.215 400 F HN 0.158 nan 8.300 nan 0.000 0.471 401 T N 2.528 117.294 114.554 0.352 0.000 2.791 401 T HA 0.661 5.015 4.350 0.006 0.000 0.288 401 T C -0.489 174.361 174.700 0.249 0.000 0.999 401 T CA -0.494 61.720 62.100 0.190 0.000 0.952 401 T CB 1.165 70.102 68.868 0.115 0.000 0.938 401 T HN 0.899 nan 8.240 nan 0.000 0.444 402 A N 2.918 125.866 122.820 0.213 0.000 2.690 402 A HA 0.766 5.089 4.320 0.006 0.000 0.342 402 A C 1.228 178.757 177.584 -0.092 0.000 1.410 402 A CA 0.059 52.126 52.037 0.049 0.000 0.958 402 A CB -0.897 18.204 19.000 0.168 0.000 1.153 402 A HN 1.464 nan 8.150 nan 0.000 0.497 403 A N 2.306 125.070 122.820 -0.093 0.000 5.023 403 A HA -0.321 4.002 4.320 0.006 0.000 0.346 403 A C 1.072 178.685 177.584 0.048 0.000 1.724 403 A CA 1.801 53.835 52.037 -0.005 0.000 0.700 403 A CB -2.101 16.892 19.000 -0.012 0.000 1.464 403 A HN 1.456 nan 8.150 nan 0.000 0.404 407 Y N 1.345 121.316 120.300 -0.549 0.000 2.334 407 Y HA 0.438 4.992 4.550 0.006 0.000 0.336 407 Y C -0.304 175.336 175.900 -0.433 0.000 0.960 407 Y CA -0.778 56.990 58.100 -0.553 0.000 1.164 407 Y CB 1.162 39.067 38.460 -0.925 0.000 1.155 407 Y HN 0.456 nan 8.280 nan 0.000 0.478 408 C N 5.784 124.986 119.300 -0.162 0.000 2.255 408 C HA 0.584 5.048 4.460 0.006 0.000 0.326 408 C C -0.042 174.720 174.990 -0.380 0.000 1.258 408 C CA -1.199 57.670 59.018 -0.249 0.000 1.676 408 C CB -1.104 26.572 27.740 -0.107 0.000 2.314 408 C HN 0.644 nan 8.230 nan 0.000 0.509 409 L N 3.846 124.780 121.223 -0.483 0.000 2.313 409 L HA 0.500 4.843 4.340 0.006 0.000 0.283 409 L C -1.098 175.422 176.870 -0.583 0.000 1.013 409 L CA -0.429 54.172 54.840 -0.398 0.000 0.816 409 L CB 0.758 42.751 42.059 -0.111 0.000 1.236 409 L HN 0.619 nan 8.230 nan 0.000 0.419 410 Y N 0.969 121.118 120.300 -0.253 0.000 2.363 410 Y HA 0.307 4.860 4.550 0.006 0.000 0.325 410 Y C -0.811 174.900 175.900 -0.315 0.000 0.984 410 Y CA -0.671 57.328 58.100 -0.168 0.000 1.248 410 Y CB 1.093 39.481 38.460 -0.119 0.000 1.116 410 Y HN 0.468 nan 8.280 nan 0.000 0.470 411 W N 3.647 124.966 121.300 0.032 0.000 2.335 411 W HA 0.626 5.290 4.660 0.006 0.000 0.306 411 W C -0.891 175.575 176.519 -0.088 0.000 1.216 411 W CA -0.726 56.570 57.345 -0.081 0.000 1.237 411 W CB 1.066 30.487 29.460 -0.064 0.000 1.243 411 W HN 0.122 nan 8.180 nan 0.000 0.493 412 V N 5.233 125.117 119.914 -0.050 0.000 2.444 412 V HA 0.424 4.547 4.120 0.006 0.000 0.294 412 V C -0.574 175.375 176.094 -0.242 0.000 1.022 412 V CA -1.172 61.077 62.300 -0.085 0.000 0.850 412 V CB 0.692 32.455 31.823 -0.101 0.000 0.992 412 V HN 0.264 nan 8.190 nan 0.000 0.426 413 F N 4.498 124.323 119.950 -0.208 0.000 2.421 413 F HA 0.715 5.246 4.527 0.006 0.000 0.337 413 F C 0.354 176.262 175.800 0.180 0.000 1.105 413 F CA -0.460 57.446 58.000 -0.156 0.000 1.049 413 F CB 1.767 40.553 39.000 -0.356 0.000 1.139 413 F HN 0.269 nan 8.300 nan 0.000 0.479 414 M N 1.866 121.805 119.600 0.566 0.000 2.662 414 M HA 0.297 4.780 4.480 0.006 0.000 0.310 414 M C 0.544 177.250 176.300 0.677 0.000 1.204 414 M CA -0.539 55.099 55.300 0.562 0.000 0.891 414 M CB 2.240 35.015 32.600 0.291 0.000 1.732 414 M HN 0.607 nan 8.290 nan 0.000 0.467 415 Q N 0.611 120.689 119.800 0.463 0.000 2.472 415 Q HA -0.097 4.247 4.340 0.006 0.000 0.208 415 Q C 0.395 176.495 176.000 0.165 0.000 0.958 415 Q CA 0.666 56.620 55.803 0.253 0.000 0.932 415 Q CB 0.078 28.891 28.738 0.124 0.000 1.007 415 Q HN 0.647 nan 8.270 nan 0.000 0.508 416 D N -1.288 119.220 120.400 0.180 0.000 2.328 416 D HA 0.037 4.680 4.640 0.006 0.000 0.221 416 D C 1.124 177.440 176.300 0.028 0.000 1.072 416 D CA 0.711 54.754 54.000 0.071 0.000 0.850 416 D CB 0.238 41.093 40.800 0.092 0.000 0.922 416 D HN 0.221 nan 8.370 nan 0.000 0.516 417 G N -0.365 108.548 108.800 0.188 0.000 2.175 417 G HA2 -0.163 3.801 3.960 0.006 0.000 0.244 417 G HA3 -0.163 3.801 3.960 0.006 0.000 0.244 417 G C 0.529 175.759 174.900 0.551 0.000 0.982 417 G CA 0.170 45.428 45.100 0.265 0.000 0.641 417 G HN 0.812 nan 8.290 nan 0.000 0.527 418 A N -0.322 122.724 122.820 0.378 0.000 2.313 418 A HA 0.806 5.129 4.320 0.006 0.000 0.261 418 A C 0.191 177.914 177.584 0.232 0.000 1.090 418 A CA 0.125 52.336 52.037 0.289 0.000 0.807 418 A CB 0.497 19.574 19.000 0.129 0.000 1.055 418 A HN 0.883 nan 8.150 nan 0.000 0.492 419 I N 0.378 120.993 120.570 0.076 0.000 2.533 419 I HA 0.465 4.639 4.170 0.006 0.000 0.290 419 I C 0.032 176.037 176.117 -0.186 0.000 1.056 419 I CA -0.329 60.817 61.300 -0.256 0.000 1.057 419 I CB 2.033 39.779 38.000 -0.424 0.000 1.240 419 I HN 0.762 nan 8.210 nan 0.000 0.423 420 R N 4.600 124.957 120.500 -0.238 0.000 2.740 420 R HA 0.711 5.055 4.340 0.006 0.000 0.282 420 R C -1.773 174.365 176.300 -0.270 0.000 0.969 420 R CA -0.837 55.141 56.100 -0.203 0.000 0.918 420 R CB 2.106 32.316 30.300 -0.149 0.000 1.175 420 R HN 0.498 nan 8.270 nan 0.000 0.464 421 L N 3.172 124.182 121.223 -0.356 0.000 2.305 421 L HA 0.470 4.814 4.340 0.006 0.000 0.284 421 L C -1.560 175.069 176.870 -0.401 0.000 1.013 421 L CA -0.215 54.295 54.840 -0.549 0.000 0.819 421 L CB 1.617 43.186 42.059 -0.817 0.000 1.227 421 L HN 0.565 nan 8.230 nan 0.000 0.417 422 D N 6.050 126.275 120.400 -0.292 0.000 2.278 422 D HA 0.534 5.177 4.640 0.006 0.000 0.245 422 D C -0.459 175.801 176.300 -0.066 0.000 1.052 422 D CA 0.209 54.119 54.000 -0.151 0.000 0.834 422 D CB 2.164 42.902 40.800 -0.104 0.000 1.194 422 D HN 0.441 nan 8.370 nan 0.000 0.481 423 I N 1.648 122.172 120.570 -0.077 0.000 2.569 423 I HA 0.400 4.573 4.170 0.006 0.000 0.296 423 I C 0.129 176.253 176.117 0.012 0.000 1.028 423 I CA -0.820 60.448 61.300 -0.054 0.000 1.082 423 I CB 1.930 39.809 38.000 -0.203 0.000 1.264 423 I HN -0.054 nan 8.210 nan 0.000 0.429 424 R N 5.500 126.040 120.500 0.066 0.000 2.480 424 R HA 0.530 4.874 4.340 0.006 0.000 0.306 424 R C -1.343 174.906 176.300 -0.086 0.000 0.958 424 R CA -0.990 55.115 56.100 0.009 0.000 0.861 424 R CB 2.105 32.454 30.300 0.081 0.000 1.171 424 R HN 0.349 nan 8.270 nan 0.000 0.445 425 L N 2.421 123.549 121.223 -0.159 0.000 2.276 425 L HA 0.403 4.747 4.340 0.006 0.000 0.286 425 L C 0.508 177.224 176.870 -0.257 0.000 1.061 425 L CA 0.651 55.310 54.840 -0.302 0.000 0.807 425 L CB 1.437 43.273 42.059 -0.372 0.000 1.177 425 L HN 0.763 nan 8.230 nan 0.000 0.429 426 T N 1.658 116.038 114.554 -0.290 0.000 2.572 426 T HA 0.784 5.137 4.350 0.006 0.000 0.274 426 T C 0.045 174.598 174.700 -0.245 0.000 0.949 426 T CA 0.489 62.455 62.100 -0.223 0.000 1.126 426 T CB 1.199 69.960 68.868 -0.178 0.000 1.478 426 T HN 0.965 nan 8.240 nan 0.000 0.492 427 G N 0.360 109.023 108.800 -0.228 0.000 2.484 427 G HA2 -0.056 3.908 3.960 0.006 0.000 0.225 427 G HA3 -0.056 3.908 3.960 0.006 0.000 0.225 427 G C -0.954 173.809 174.900 -0.228 0.000 1.250 427 G CA -0.137 44.825 45.100 -0.229 0.000 0.926 427 G HN 0.949 nan 8.290 nan 0.000 0.581 428 I N 0.761 121.189 120.570 -0.236 0.000 2.608 428 I HA 0.421 4.595 4.170 0.006 0.000 0.295 428 I C 0.694 176.703 176.117 -0.180 0.000 1.049 428 I CA -0.912 60.236 61.300 -0.255 0.000 1.063 428 I CB 1.836 39.563 38.000 -0.455 0.000 1.248 428 I HN 0.514 nan 8.210 nan 0.000 0.424 429 L N 4.971 126.196 121.223 0.003 0.000 2.559 429 L HA -0.014 4.329 4.340 0.006 0.000 0.282 429 L C 0.951 177.820 176.870 -0.002 0.000 1.232 429 L CA 0.321 55.205 54.840 0.073 0.000 0.885 429 L CB -0.145 42.019 42.059 0.175 0.000 1.131 429 L HN 0.671 nan 8.230 nan 0.000 0.498 430 N N 2.343 121.075 118.700 0.054 0.000 2.483 430 N HA 0.047 4.790 4.740 0.006 0.000 0.264 430 N C -0.645 174.933 175.510 0.114 0.000 1.197 430 N CA -0.073 53.048 53.050 0.118 0.000 0.927 430 N CB 0.831 39.384 38.487 0.111 0.000 1.065 430 N HN 0.694 nan 8.380 nan 0.000 0.461 431 T N 0.946 115.638 114.554 0.230 0.000 2.907 431 T HA 0.432 4.786 4.350 0.006 0.000 0.292 431 T C -0.986 173.791 174.700 0.128 0.000 1.043 431 T CA -0.749 61.430 62.100 0.133 0.000 1.003 431 T CB 1.607 70.601 68.868 0.211 0.000 1.084 431 T HN 0.494 nan 8.240 nan 0.000 0.483 432 Y N 1.234 121.393 120.300 -0.236 0.000 2.602 432 Y HA 0.685 5.239 4.550 0.006 0.000 0.342 432 Y C -0.496 175.306 175.900 -0.163 0.000 1.029 432 Y CA -2.079 55.877 58.100 -0.241 0.000 1.080 432 Y CB 1.511 39.748 38.460 -0.371 0.000 1.284 432 Y HN 0.983 nan 8.280 nan 0.000 0.485 433 I N 4.072 124.013 120.570 -1.049 0.000 2.696 433 I HA 0.242 4.416 4.170 0.006 0.000 0.284 433 I C -1.300 174.568 176.117 -0.415 0.000 1.129 433 I CA -0.267 60.648 61.300 -0.642 0.000 1.410 433 I CB 0.560 38.186 38.000 -0.624 0.000 1.399 433 I HN 0.596 nan 8.210 nan 0.000 0.579 434 L N 7.021 128.118 121.223 -0.209 0.000 2.385 434 L HA 0.642 4.985 4.340 0.006 0.000 0.273 434 L C 0.029 176.857 176.870 -0.070 0.000 0.990 434 L CA -0.109 54.678 54.840 -0.088 0.000 0.821 434 L CB 1.569 43.588 42.059 -0.067 0.000 1.279 434 L HN 0.626 nan 8.230 nan 0.000 0.412 435 G N 2.234 111.018 108.800 -0.027 0.000 2.594 435 G HA2 0.120 4.084 3.960 0.006 0.000 0.243 435 G HA3 0.120 4.084 3.960 0.006 0.000 0.243 435 G C 0.350 175.241 174.900 -0.014 0.000 1.229 435 G CA -0.193 44.897 45.100 -0.017 0.000 0.843 435 G HN 0.788 nan 8.290 nan 0.000 0.578 436 D N 0.209 120.604 120.400 -0.008 0.000 2.149 436 D HA -0.108 4.535 4.640 0.006 0.000 0.194 436 D C 1.119 177.416 176.300 -0.005 0.000 1.001 436 D CA 1.442 55.442 54.000 -0.001 0.000 0.849 436 D CB 0.233 41.036 40.800 0.004 0.000 0.939 436 D HN 0.434 nan 8.370 nan 0.000 0.449 437 D N 0.079 120.479 120.400 -0.001 0.000 2.440 437 D HA 0.027 4.670 4.640 0.006 0.000 0.216 437 D C 0.276 176.579 176.300 0.005 0.000 1.150 437 D CA -0.134 53.865 54.000 -0.000 0.000 0.832 437 D CB 0.525 41.326 40.800 0.002 0.000 0.992 437 D HN 0.286 nan 8.370 nan 0.000 0.502 438 E N 1.792 121.998 120.200 0.010 0.000 2.338 438 E HA 0.045 4.398 4.350 0.006 0.000 0.272 438 E C -0.238 176.373 176.600 0.019 0.000 1.029 438 E CA -0.234 56.181 56.400 0.026 0.000 0.872 438 E CB 0.978 30.704 29.700 0.043 0.000 1.015 438 E HN -0.031 nan 8.360 nan 0.000 0.417 439 E N 2.718 122.933 120.200 0.024 0.000 2.229 439 E HA 0.146 4.499 4.350 0.006 0.000 0.283 439 E C 0.084 176.704 176.600 0.034 0.000 1.030 439 E CA -0.120 56.286 56.400 0.010 0.000 0.836 439 E CB 1.726 31.421 29.700 -0.008 0.000 1.068 439 E HN 0.632 nan 8.360 nan 0.000 0.401 440 A N 3.860 126.697 122.820 0.027 0.000 1.930 440 A HA 0.067 4.391 4.320 0.006 0.000 0.215 440 A C 1.279 178.890 177.584 0.045 0.000 1.176 440 A CA 1.031 53.109 52.037 0.068 0.000 0.632 440 A CB -0.322 18.709 19.000 0.052 0.000 0.819 440 A HN 0.587 nan 8.150 nan 0.000 0.445 441 G N -0.518 108.260 108.800 -0.037 0.000 2.606 441 G HA2 0.390 4.354 3.960 0.006 0.000 0.252 441 G HA3 0.390 4.354 3.960 0.006 0.000 0.252 441 G C -1.242 173.464 174.900 -0.324 0.000 1.206 441 G CA -0.344 44.671 45.100 -0.141 0.000 0.861 441 G HN 0.209 nan 8.290 nan 0.000 0.561 442 P HA 0.061 nan 4.420 nan 0.000 0.255 442 P C 0.474 177.533 177.300 -0.401 0.000 1.248 442 P CA 0.425 63.153 63.100 -0.621 0.000 0.807 442 P CB 0.151 31.320 31.700 -0.886 0.000 1.150 443 W N 0.490 121.852 121.300 0.102 0.000 3.197 443 W HA 0.408 5.071 4.660 0.006 0.000 0.274 443 W C 1.042 177.674 176.519 0.188 0.000 1.297 443 W CA -0.089 57.327 57.345 0.118 0.000 1.662 443 W CB 0.351 29.841 29.460 0.049 0.000 1.106 443 W HN -0.017 nan 8.180 nan 0.000 0.663 444 G N -0.576 108.421 108.800 0.329 0.000 2.606 444 G HA2 0.521 4.485 3.960 0.006 0.000 0.300 444 G HA3 0.521 4.485 3.960 0.006 0.000 0.300 444 G C -1.449 173.544 174.900 0.155 0.000 1.360 444 G CA -0.621 44.655 45.100 0.294 0.000 0.783 444 G HN -0.299 nan 8.290 nan 0.000 0.484 445 T N 0.111 114.727 114.554 0.104 0.000 2.861 445 T HA 0.466 4.820 4.350 0.006 0.000 0.287 445 T C -0.069 174.626 174.700 -0.008 0.000 1.003 445 T CA -0.616 61.512 62.100 0.048 0.000 0.977 445 T CB 1.894 70.798 68.868 0.060 0.000 0.996 445 T HN 0.569 nan 8.240 nan 0.000 0.448 446 R N 2.817 123.304 120.500 -0.023 0.000 2.309 446 R HA 0.263 4.607 4.340 0.006 0.000 0.331 446 R C 1.056 177.313 176.300 -0.072 0.000 1.116 446 R CA -0.140 55.923 56.100 -0.063 0.000 0.970 446 R CB -0.209 30.057 30.300 -0.057 0.000 1.024 446 R HN 0.579 nan 8.270 nan 0.000 0.472 447 V N 2.292 122.124 119.914 -0.137 0.000 3.650 447 V HA 0.288 4.411 4.120 0.006 0.000 0.271 447 V C -0.253 175.822 176.094 -0.031 0.000 1.281 447 V CA -0.006 62.219 62.300 -0.126 0.000 1.120 447 V CB -0.789 30.873 31.823 -0.269 0.000 0.856 447 V HN 0.693 nan 8.190 nan 0.000 0.443 448 Y N -0.703 119.450 120.300 -0.245 0.000 2.638 448 Y HA 0.569 5.122 4.550 0.006 0.000 0.334 448 Y C -3.194 172.573 175.900 -0.222 0.000 1.182 448 Y CA -2.179 55.825 58.100 -0.160 0.000 1.102 448 Y CB 1.566 39.971 38.460 -0.091 0.000 1.343 448 Y HN -0.121 nan 8.280 nan 0.000 0.463 449 P HA 0.203 nan 4.420 nan 0.000 0.264 449 P C -0.707 176.350 177.300 -0.405 0.000 1.193 449 P CA 1.276 63.983 63.100 -0.655 0.000 0.763 449 P CB 0.188 31.132 31.700 -1.260 0.000 0.810 450 N N -0.824 117.745 118.700 -0.217 0.000 2.800 450 N HA -0.137 4.607 4.740 0.006 0.000 0.250 450 N C -0.920 174.506 175.510 -0.140 0.000 1.078 450 N CA 0.233 53.203 53.050 -0.133 0.000 0.804 450 N CB -1.292 37.146 38.487 -0.081 0.000 1.135 450 N HN 0.122 nan 8.380 nan 0.000 0.565 451 V N 0.786 120.617 119.914 -0.138 0.000 2.444 451 V HA 0.385 4.509 4.120 0.006 0.000 0.294 451 V C -0.169 175.823 176.094 -0.169 0.000 1.022 451 V CA -0.773 61.433 62.300 -0.157 0.000 0.850 451 V CB 1.769 33.470 31.823 -0.203 0.000 0.992 451 V HN 0.185 nan 8.190 nan 0.000 0.426 452 N N 3.869 122.474 118.700 -0.159 0.000 2.469 452 N HA 0.550 5.293 4.740 0.006 0.000 0.253 452 N C -0.357 175.024 175.510 -0.216 0.000 0.970 452 N CA -0.286 52.681 53.050 -0.140 0.000 0.940 452 N CB 1.837 40.277 38.487 -0.079 0.000 1.128 452 N HN 0.807 nan 8.380 nan 0.000 0.503 453 A N 3.883 126.621 122.820 -0.136 0.000 2.260 453 A HA 0.308 4.632 4.320 0.006 0.000 0.312 453 A C -0.327 177.302 177.584 0.074 0.000 1.321 453 A CA -0.446 51.549 52.037 -0.069 0.000 0.928 453 A CB -0.315 18.657 19.000 -0.047 0.000 1.158 453 A HN 0.852 nan 8.150 nan 0.000 0.542 454 H N 2.114 121.292 119.070 0.180 0.000 2.707 454 H HA 0.098 4.658 4.556 0.006 0.000 0.359 454 H C 0.198 175.697 175.328 0.285 0.000 1.113 454 H CA -0.507 55.689 56.048 0.247 0.000 1.422 454 H CB 0.680 30.614 29.762 0.287 0.000 1.443 454 H HN 0.665 nan 8.280 nan 0.000 0.591 455 N N 2.824 121.723 118.700 0.332 0.000 2.441 455 N HA 0.000 4.744 4.740 0.006 0.000 0.251 455 N C -0.210 175.248 175.510 -0.085 0.000 1.242 455 N CA 0.441 53.521 53.050 0.049 0.000 0.898 455 N CB 0.377 38.934 38.487 0.116 0.000 1.100 455 N HN 0.682 nan 8.380 nan 0.000 0.443 456 H N -1.760 117.022 119.070 -0.479 0.000 2.967 456 H HA 0.358 4.918 4.556 0.006 0.000 0.318 456 H C -1.283 173.756 175.328 -0.482 0.000 1.375 456 H CA -0.785 54.865 56.048 -0.664 0.000 1.132 456 H CB 0.911 29.815 29.762 -1.430 0.000 1.848 456 H HN 0.395 nan 8.280 nan 0.000 0.524 457 Q N 0.528 120.117 119.800 -0.352 0.000 2.297 457 Q HA 0.375 4.718 4.340 0.006 0.000 0.268 457 Q C -0.729 175.127 176.000 -0.241 0.000 1.045 457 Q CA -0.956 54.698 55.803 -0.247 0.000 0.861 457 Q CB 2.349 30.995 28.738 -0.153 0.000 1.344 457 Q HN 0.531 nan 8.270 nan 0.000 0.452 458 H N 1.589 120.652 119.070 -0.013 0.000 2.587 458 H HA 0.433 4.992 4.556 0.006 0.000 0.325 458 H C -0.858 174.357 175.328 -0.187 0.000 1.012 458 H CA -0.319 55.700 56.048 -0.049 0.000 1.213 458 H CB 0.963 30.809 29.762 0.140 0.000 1.431 458 H HN 0.340 nan 8.280 nan 0.000 0.492 459 L N 3.915 124.976 121.223 -0.269 0.000 2.362 459 L HA 0.483 4.827 4.340 0.006 0.000 0.271 459 L C -0.864 175.745 176.870 -0.435 0.000 1.002 459 L CA -0.754 53.962 54.840 -0.207 0.000 0.818 459 L CB 1.590 43.623 42.059 -0.044 0.000 1.298 459 L HN 0.392 nan 8.230 nan 0.000 0.420 460 F N 0.036 119.833 119.950 -0.255 0.000 2.563 460 F HA 0.417 4.948 4.527 0.006 0.000 0.316 460 F C 0.265 175.889 175.800 -0.293 0.000 1.076 460 F CA -0.745 57.017 58.000 -0.397 0.000 0.921 460 F CB 2.250 40.706 39.000 -0.906 0.000 1.209 460 F HN 0.247 nan 8.300 nan 0.000 0.462 461 S N 3.247 118.831 115.700 -0.194 0.000 2.532 461 S HA 0.464 4.937 4.470 0.006 0.000 0.318 461 S C -1.082 173.578 174.600 0.099 0.000 1.083 461 S CA -0.557 57.531 58.200 -0.188 0.000 1.131 461 S CB 0.111 62.800 63.200 -0.853 0.000 0.973 461 S HN 0.552 nan 8.310 nan 0.000 0.468 462 L N 5.969 127.375 121.223 0.306 0.000 2.319 462 L HA 0.519 4.862 4.340 0.006 0.000 0.280 462 L C 0.222 177.134 176.870 0.070 0.000 1.099 462 L CA 0.232 55.234 54.840 0.270 0.000 0.828 462 L CB 0.576 42.840 42.059 0.341 0.000 1.150 462 L HN 0.680 nan 8.230 nan 0.000 0.442 463 R N 6.391 126.823 120.500 -0.113 0.000 2.265 463 R HA 0.553 4.897 4.340 0.006 0.000 0.328 463 R C -1.413 174.660 176.300 -0.377 0.000 0.969 463 R CA -0.519 55.277 56.100 -0.508 0.000 0.832 463 R CB 0.563 30.506 30.300 -0.594 0.000 1.139 463 R HN 0.775 nan 8.270 nan 0.000 0.457 464 I N 3.670 124.028 120.570 -0.353 0.000 2.362 464 I HA 0.172 4.346 4.170 0.006 0.000 0.289 464 I C -0.563 175.450 176.117 -0.173 0.000 0.994 464 I CA -0.736 60.383 61.300 -0.301 0.000 1.158 464 I CB 1.812 39.615 38.000 -0.328 0.000 1.315 464 I HN 0.511 nan 8.210 nan 0.000 0.451 465 D N 9.698 130.029 120.400 -0.115 0.000 2.473 465 D HA 0.325 4.968 4.640 0.006 0.000 0.226 465 D C -2.526 173.848 176.300 0.125 0.000 1.089 465 D CA -2.078 51.939 54.000 0.028 0.000 0.883 465 D CB 1.360 42.206 40.800 0.075 0.000 1.029 465 D HN 0.145 nan 8.370 nan 0.000 0.517 466 P HA 0.356 nan 4.420 nan 0.000 0.282 466 P C -0.517 176.853 177.300 0.116 0.000 1.259 466 P CA -0.620 62.637 63.100 0.263 0.000 0.826 466 P CB 1.295 33.127 31.700 0.220 0.000 1.064 467 R N 1.787 122.324 120.500 0.061 0.000 2.593 467 R HA 0.258 4.602 4.340 0.006 0.000 0.258 467 R C -0.338 175.954 176.300 -0.014 0.000 1.410 467 R CA -0.361 55.749 56.100 0.017 0.000 1.537 467 R CB -0.105 30.223 30.300 0.046 0.000 1.362 467 R HN 0.293 nan 8.270 nan 0.000 0.734 468 I N 2.646 123.210 120.570 -0.010 0.000 2.680 468 I HA -0.021 4.153 4.170 0.006 0.000 0.286 468 I C 0.594 176.784 176.117 0.121 0.000 1.144 468 I CA 0.878 62.208 61.300 0.050 0.000 1.370 468 I CB -0.025 38.045 38.000 0.118 0.000 1.420 468 I HN 0.626 nan 8.210 nan 0.000 0.540 469 D N 4.961 125.478 120.400 0.194 0.000 2.882 469 D HA -0.167 4.477 4.640 0.006 0.000 0.229 469 D C 0.639 176.942 176.300 0.005 0.000 1.167 469 D CA 1.645 55.670 54.000 0.042 0.000 0.759 469 D CB -0.652 40.057 40.800 -0.151 0.000 1.088 469 D HN 1.170 nan 8.370 nan 0.000 0.425 470 G N -1.180 107.634 108.800 0.024 0.000 2.396 470 G HA2 -0.041 3.922 3.960 0.006 0.000 0.254 470 G HA3 -0.041 3.922 3.960 0.006 0.000 0.254 470 G C -1.166 173.730 174.900 -0.005 0.000 1.248 470 G CA -0.207 44.896 45.100 0.005 0.000 1.033 470 G HN 0.195 nan 8.290 nan 0.000 0.502 471 D N 1.000 121.389 120.400 -0.017 0.000 2.264 471 D HA 0.553 5.196 4.640 0.006 0.000 0.249 471 D C 0.785 177.069 176.300 -0.026 0.000 1.070 471 D CA 1.482 55.464 54.000 -0.030 0.000 0.912 471 D CB 1.135 41.912 40.800 -0.038 0.000 1.193 471 D HN 2.038 nan 8.370 nan 0.000 0.427 472 G N 1.601 110.382 108.800 -0.032 0.000 2.897 472 G HA2 -0.164 3.800 3.960 0.006 0.000 0.436 472 G HA3 -0.164 3.800 3.960 0.006 0.000 0.436 472 G C -0.694 174.177 174.900 -0.049 0.000 1.079 472 G CA -0.767 44.315 45.100 -0.031 0.000 1.090 472 G HN 0.566 nan 8.290 nan 0.000 0.480 473 N N -0.134 118.525 118.700 -0.067 0.000 2.469 473 N HA 0.837 5.580 4.740 0.006 0.000 0.286 473 N C -0.365 175.011 175.510 -0.222 0.000 1.275 473 N CA -0.800 52.170 53.050 -0.134 0.000 0.790 473 N CB 1.987 40.435 38.487 -0.065 0.000 1.446 473 N HN 0.407 nan 8.380 nan 0.000 0.501 474 S N -0.251 115.149 115.700 -0.501 0.000 2.651 474 S HA 0.837 5.311 4.470 0.006 0.000 0.279 474 S C -1.294 173.023 174.600 -0.473 0.000 1.148 474 S CA -0.692 57.189 58.200 -0.531 0.000 0.837 474 S CB 1.966 64.671 63.200 -0.824 0.000 1.138 474 S HN 0.676 nan 8.310 nan 0.000 0.478 475 A N 0.229 123.010 122.820 -0.065 0.000 2.469 475 A HA 1.009 5.332 4.320 0.006 0.000 0.299 475 A C -1.006 176.558 177.584 -0.033 0.000 1.098 475 A CA -0.596 51.569 52.037 0.212 0.000 0.737 475 A CB 1.526 20.869 19.000 0.573 0.000 1.312 475 A HN 1.414 nan 8.150 nan 0.000 0.414 476 A N -0.349 122.404 122.820 -0.112 0.000 2.606 476 A HA 0.856 5.180 4.320 0.006 0.000 0.293 476 A C -0.363 177.044 177.584 -0.294 0.000 1.082 476 A CA 0.035 51.750 52.037 -0.537 0.000 0.685 476 A CB 0.985 19.955 19.000 -0.049 0.000 1.284 476 A HN 2.446 nan 8.150 nan 0.000 0.408 477 A N -0.060 122.574 122.820 -0.311 0.000 2.306 477 A HA 0.602 4.926 4.320 0.006 0.000 0.314 477 A C -0.299 177.202 177.584 -0.138 0.000 1.164 477 A CA -0.299 51.670 52.037 -0.114 0.000 0.822 477 A CB 0.101 19.154 19.000 0.088 0.000 1.130 477 A HN 1.250 nan 8.150 nan 0.000 0.496 478 C N 2.214 121.396 119.300 -0.197 0.000 2.319 478 C HA 0.625 5.089 4.460 0.006 0.000 0.323 478 C C -0.825 174.070 174.990 -0.160 0.000 1.277 478 C CA -0.815 58.126 59.018 -0.129 0.000 1.517 478 C CB 0.387 28.080 27.740 -0.078 0.000 2.206 478 C HN 0.793 nan 8.230 nan 0.000 0.486 479 D N 2.192 122.513 120.400 -0.132 0.000 2.492 479 D HA 0.485 5.128 4.640 0.006 0.000 0.248 479 D C -0.285 175.910 176.300 -0.174 0.000 1.101 479 D CA 0.128 54.036 54.000 -0.154 0.000 0.840 479 D CB 2.140 42.858 40.800 -0.136 0.000 1.209 479 D HN 0.690 nan 8.370 nan 0.000 0.524 480 A N 3.043 125.766 122.820 -0.160 0.000 2.450 480 A HA 0.387 4.710 4.320 0.006 0.000 0.255 480 A C 0.162 177.605 177.584 -0.236 0.000 1.096 480 A CA 0.100 52.035 52.037 -0.171 0.000 0.778 480 A CB 0.422 19.334 19.000 -0.146 0.000 1.031 480 A HN 0.417 nan 8.150 nan 0.000 0.494 481 K N 1.872 122.072 120.400 -0.332 0.000 2.501 481 K HA 0.385 4.709 4.320 0.006 0.000 0.252 481 K C -0.692 175.821 176.600 -0.147 0.000 0.934 481 K CA -0.543 55.551 56.287 -0.322 0.000 0.797 481 K CB 2.229 34.426 32.500 -0.505 0.000 1.270 481 K HN 0.681 nan 8.250 nan 0.000 0.431 482 S N 0.983 116.687 115.700 0.007 0.000 2.568 482 S HA -0.013 4.460 4.470 0.006 0.000 0.282 482 S C 0.360 175.129 174.600 0.281 0.000 1.338 482 S CA -0.158 58.139 58.200 0.162 0.000 1.045 482 S CB 1.045 64.308 63.200 0.105 0.000 0.873 482 S HN 0.599 nan 8.310 nan 0.000 0.516 483 S N 2.850 118.769 115.700 0.364 0.000 2.561 483 S HA 0.035 4.508 4.470 0.006 0.000 0.294 483 S C -1.095 173.638 174.600 0.222 0.000 1.294 483 S CA -1.014 57.398 58.200 0.353 0.000 1.055 483 S CB 0.262 63.637 63.200 0.292 0.000 0.819 483 S HN 0.553 nan 8.310 nan 0.000 0.503 484 P HA -0.003 nan 4.420 nan 0.000 0.226 484 P C -0.345 176.874 177.300 -0.134 0.000 1.153 484 P CA 0.701 63.771 63.100 -0.051 0.000 0.777 484 P CB -0.080 31.508 31.700 -0.187 0.000 0.794 485 Y N 2.458 122.788 120.300 0.050 0.000 2.359 485 Y HA 0.227 4.781 4.550 0.006 0.000 0.330 485 Y C -1.409 174.512 175.900 0.035 0.000 1.143 485 Y CA -2.442 55.676 58.100 0.031 0.000 1.318 485 Y CB -0.305 38.166 38.460 0.018 0.000 1.234 485 Y HN 0.005 nan 8.280 nan 0.000 0.522 486 P HA 0.061 nan 4.420 nan 0.000 0.276 486 P C -0.661 176.691 177.300 0.088 0.000 1.252 486 P CA -0.575 62.584 63.100 0.099 0.000 0.802 486 P CB 1.127 32.867 31.700 0.067 0.000 1.035 487 L N 1.455 122.715 121.223 0.061 0.000 2.615 487 L HA 0.161 4.504 4.340 0.006 0.000 0.284 487 L C 1.449 178.319 176.870 0.001 0.000 1.237 487 L CA 2.320 57.180 54.840 0.034 0.000 0.905 487 L CB -1.195 40.882 42.059 0.030 0.000 1.149 487 L HN 0.871 nan 8.230 nan 0.000 0.499 488 G N 2.187 110.959 108.800 -0.046 0.000 2.176 488 G HA2 -0.274 3.690 3.960 0.006 0.000 0.253 488 G HA3 -0.274 3.690 3.960 0.006 0.000 0.253 488 G C 0.303 175.168 174.900 -0.057 0.000 0.979 488 G CA 0.408 45.459 45.100 -0.082 0.000 0.641 488 G HN 1.211 nan 8.290 nan 0.000 0.530 489 S N 0.045 115.734 115.700 -0.019 0.000 2.617 489 S HA 0.619 5.093 4.470 0.006 0.000 0.269 489 S C -0.811 173.753 174.600 -0.059 0.000 1.292 489 S CA -0.588 57.605 58.200 -0.012 0.000 1.010 489 S CB 2.121 65.356 63.200 0.057 0.000 0.944 489 S HN -0.025 nan 8.310 nan 0.000 0.536 490 P HA -0.081 nan 4.420 nan 0.000 0.217 490 P C 0.725 177.949 177.300 -0.128 0.000 1.148 490 P CA 1.200 64.243 63.100 -0.095 0.000 0.828 490 P CB -0.002 31.641 31.700 -0.094 0.000 0.783 491 E N -1.957 118.117 120.200 -0.210 0.000 2.371 491 E HA -0.017 4.337 4.350 0.006 0.000 0.194 491 E C 0.670 177.199 176.600 -0.119 0.000 1.012 491 E CA 0.574 56.794 56.400 -0.299 0.000 0.860 491 E CB -0.279 28.925 29.700 -0.827 0.000 0.811 491 E HN 0.088 nan 8.360 nan 0.000 0.502 492 N N -0.426 118.254 118.700 -0.033 0.000 2.639 492 N HA 0.074 4.818 4.740 0.006 0.000 0.265 492 N C 0.137 175.665 175.510 0.030 0.000 1.689 492 N CA -0.008 53.072 53.050 0.050 0.000 0.813 492 N CB 0.033 38.594 38.487 0.124 0.000 1.353 492 N HN -0.065 nan 8.380 nan 0.000 0.510 493 M N 0.262 119.854 119.600 -0.015 0.000 2.082 493 M HA -0.048 4.435 4.480 0.006 0.000 0.258 493 M C 0.226 176.351 176.300 -0.291 0.000 1.069 493 M CA 2.060 57.245 55.300 -0.193 0.000 1.102 493 M CB -0.299 32.116 32.600 -0.310 0.000 1.336 493 M HN 0.372 nan 8.290 nan 0.000 0.404 494 Y N -0.757 119.559 120.300 0.026 0.000 2.485 494 Y HA 0.445 4.999 4.550 0.006 0.000 0.260 494 Y C 1.451 177.379 175.900 0.046 0.000 1.173 494 Y CA 0.083 58.202 58.100 0.031 0.000 1.252 494 Y CB -0.232 38.244 38.460 0.027 0.000 1.123 494 Y HN 0.452 nan 8.280 nan 0.000 0.524 495 G N 1.393 110.287 108.800 0.157 0.000 2.153 495 G HA2 -0.375 3.588 3.960 0.006 0.000 0.252 495 G HA3 -0.375 3.588 3.960 0.006 0.000 0.252 495 G C 0.915 175.910 174.900 0.157 0.000 0.994 495 G CA 0.732 45.912 45.100 0.134 0.000 0.698 495 G HN 0.567 nan 8.290 nan 0.000 0.521 496 N N -0.004 118.803 118.700 0.178 0.000 2.254 496 N HA 0.401 5.145 4.740 0.006 0.000 0.190 496 N C 1.033 176.683 175.510 0.233 0.000 1.107 496 N CA 0.718 53.883 53.050 0.192 0.000 0.869 496 N CB 0.057 38.638 38.487 0.157 0.000 0.983 496 N HN 0.993 nan 8.380 nan 0.000 0.487 497 A N 0.980 123.912 122.820 0.186 0.000 2.477 497 A HA 0.464 4.787 4.320 0.006 0.000 0.246 497 A C -0.398 177.360 177.584 0.291 0.000 1.078 497 A CA -0.285 51.843 52.037 0.151 0.000 0.770 497 A CB -0.444 18.632 19.000 0.127 0.000 1.011 497 A HN 0.483 nan 8.150 nan 0.000 0.494 498 F N 0.404 120.442 119.950 0.147 0.000 2.713 498 F HA 0.768 5.298 4.527 0.006 0.000 0.311 498 F C -1.029 174.900 175.800 0.214 0.000 1.141 498 F CA -1.352 56.746 58.000 0.163 0.000 0.939 498 F CB 1.065 40.094 39.000 0.049 0.000 1.325 498 F HN 0.800 nan 8.300 nan 0.000 0.453 499 Y N -0.717 119.750 120.300 0.277 0.000 2.705 499 Y HA 0.761 5.315 4.550 0.006 0.000 0.332 499 Y C -1.528 174.475 175.900 0.170 0.000 1.221 499 Y CA -1.613 56.562 58.100 0.125 0.000 1.059 499 Y CB 1.121 39.611 38.460 0.049 0.000 1.298 499 Y HN 0.812 nan 8.280 nan 0.000 0.459 500 S N 0.999 116.776 115.700 0.127 0.000 2.438 500 S HA 0.264 4.738 4.470 0.006 0.000 0.316 500 S C -0.976 173.664 174.600 0.066 0.000 1.084 500 S CA -0.609 57.590 58.200 -0.001 0.000 1.107 500 S CB 0.272 63.505 63.200 0.055 0.000 0.981 500 S HN 0.722 nan 8.310 nan 0.000 0.466 501 E N 4.230 124.384 120.200 -0.077 0.000 2.152 501 E HA 0.193 4.546 4.350 0.006 0.000 0.285 501 E C -0.535 176.077 176.600 0.020 0.000 1.043 501 E CA -0.382 56.066 56.400 0.079 0.000 0.839 501 E CB 0.500 30.223 29.700 0.038 0.000 1.069 501 E HN 0.526 nan 8.360 nan 0.000 0.399 502 K N 3.738 124.156 120.400 0.031 0.000 2.263 502 K HA 0.215 4.538 4.320 0.006 0.000 0.272 502 K C -1.199 175.397 176.600 -0.008 0.000 1.033 502 K CA -0.380 55.890 56.287 -0.028 0.000 0.884 502 K CB 1.175 33.627 32.500 -0.080 0.000 1.107 502 K HN 0.341 nan 8.250 nan 0.000 0.460 503 T N 3.515 118.060 114.554 -0.014 0.000 2.853 503 T HA 0.140 4.494 4.350 0.006 0.000 0.317 503 T C -0.500 174.175 174.700 -0.042 0.000 1.059 503 T CA -0.410 61.711 62.100 0.035 0.000 0.954 503 T CB 1.011 69.949 68.868 0.117 0.000 0.994 503 T HN 0.485 nan 8.240 nan 0.000 0.479 504 T N 4.411 118.980 114.554 0.025 0.000 2.851 504 T HA 0.302 4.656 4.350 0.006 0.000 0.298 504 T C 0.057 174.855 174.700 0.163 0.000 0.977 504 T CA -0.234 61.900 62.100 0.057 0.000 1.126 504 T CB -0.070 68.921 68.868 0.205 0.000 0.916 504 T HN 0.254 nan 8.240 nan 0.000 0.529 505 F N 3.051 123.129 119.950 0.214 0.000 2.445 505 F HA 0.323 4.853 4.527 0.005 0.000 0.359 505 F C 1.433 177.304 175.800 0.118 0.000 1.101 505 F CA -1.119 56.973 58.000 0.153 0.000 1.177 505 F CB 0.509 39.600 39.000 0.153 0.000 1.110 505 F HN 0.556 nan 8.300 nan 0.000 0.522 506 K N 0.627 121.198 120.400 0.285 0.000 2.168 506 K HA 0.061 4.385 4.320 0.006 0.000 0.201 506 K C 0.755 177.437 176.600 0.137 0.000 1.049 506 K CA 0.959 57.352 56.287 0.177 0.000 0.974 506 K CB 0.217 32.799 32.500 0.137 0.000 0.792 506 K HN 0.714 nan 8.250 nan 0.000 0.463 507 T N -2.823 111.802 114.554 0.119 0.000 2.930 507 T HA 0.240 4.594 4.350 0.006 0.000 0.290 507 T C 1.296 176.019 174.700 0.038 0.000 1.052 507 T CA -0.935 61.208 62.100 0.071 0.000 1.017 507 T CB 1.761 70.658 68.868 0.049 0.000 1.137 507 T HN -0.221 nan 8.240 nan 0.000 0.511 508 V N 1.354 121.277 119.914 0.016 0.000 2.278 508 V HA -0.212 3.912 4.120 0.006 0.000 0.251 508 V C 2.866 178.899 176.094 -0.102 0.000 1.062 508 V CA 2.462 64.744 62.300 -0.030 0.000 1.038 508 V CB -0.923 30.898 31.823 -0.004 0.000 0.646 508 V HN 1.044 nan 8.190 nan 0.000 0.447 509 K N -0.192 120.165 120.400 -0.071 0.000 2.113 509 K HA -0.265 4.058 4.320 0.006 0.000 0.208 509 K C 1.817 178.329 176.600 -0.148 0.000 1.047 509 K CA 2.015 58.242 56.287 -0.099 0.000 0.928 509 K CB -0.283 32.190 32.500 -0.045 0.000 0.716 509 K HN 0.493 nan 8.250 nan 0.000 0.446 510 D N 0.058 120.392 120.400 -0.110 0.000 2.182 510 D HA -0.136 4.507 4.640 0.006 0.000 0.201 510 D C 1.924 177.923 176.300 -0.501 0.000 0.986 510 D CA 1.598 55.534 54.000 -0.106 0.000 0.847 510 D CB -0.146 40.715 40.800 0.101 0.000 0.942 510 D HN 0.375 nan 8.370 nan 0.000 0.467 511 S N -0.079 115.152 115.700 -0.781 0.000 2.489 511 S HA -0.033 4.440 4.470 0.006 0.000 0.228 511 S C 1.183 175.296 174.600 -0.812 0.000 0.995 511 S CA -0.069 57.224 58.200 -1.512 0.000 0.934 511 S CB -0.426 62.268 63.200 -0.844 0.000 0.771 511 S HN 0.165 nan 8.310 nan 0.000 0.522 512 L N 3.703 124.608 121.223 -0.530 0.000 2.462 512 L HA 0.323 4.667 4.340 0.006 0.000 0.283 512 L C 0.114 176.801 176.870 -0.305 0.000 1.166 512 L CA -0.248 54.249 54.840 -0.572 0.000 0.964 512 L CB -0.621 40.925 42.059 -0.855 0.000 1.294 512 L HN 0.362 nan 8.230 nan 0.000 0.449 513 T N -0.628 113.925 114.554 -0.002 0.000 2.903 513 T HA 0.485 4.839 4.350 0.006 0.000 0.299 513 T C -0.510 174.479 174.700 0.482 0.000 1.093 513 T CA -1.036 61.248 62.100 0.307 0.000 1.002 513 T CB 2.052 71.222 68.868 0.503 0.000 1.127 513 T HN 0.390 nan 8.240 nan 0.000 0.488 514 N N -0.255 118.740 118.700 0.492 0.000 2.404 514 N HA 0.469 5.213 4.740 0.006 0.000 0.297 514 N C -1.431 174.456 175.510 0.628 0.000 1.163 514 N CA -0.991 52.365 53.050 0.510 0.000 0.864 514 N CB 1.259 39.934 38.487 0.313 0.000 1.247 514 N HN 0.690 nan 8.380 nan 0.000 0.510 515 Y N 1.327 121.989 120.300 0.602 0.000 2.597 515 Y HA -0.011 4.542 4.550 0.006 0.000 0.336 515 Y C -0.441 175.589 175.900 0.217 0.000 1.216 515 Y CA 0.392 58.770 58.100 0.463 0.000 1.463 515 Y CB 0.503 39.248 38.460 0.476 0.000 1.303 515 Y HN 0.389 nan 8.280 nan 0.000 0.576 516 E N 3.659 123.350 120.200 -0.849 0.000 2.244 516 E HA 0.139 4.492 4.350 0.006 0.000 0.260 516 E C 0.431 176.498 176.600 -0.888 0.000 0.884 516 E CA 0.007 56.029 56.400 -0.631 0.000 0.777 516 E CB 1.626 31.146 29.700 -0.300 0.000 1.197 516 E HN 0.784 nan 8.360 nan 0.000 0.416 517 S N 1.656 117.013 115.700 -0.572 0.000 2.402 517 S HA -0.153 4.320 4.470 0.006 0.000 0.229 517 S C 1.841 176.338 174.600 -0.172 0.000 1.021 517 S CA 0.934 58.978 58.200 -0.259 0.000 0.974 517 S CB -0.080 63.114 63.200 -0.011 0.000 0.800 517 S HN 0.484 nan 8.310 nan 0.000 0.484 518 A N 1.820 124.542 122.820 -0.164 0.000 2.070 518 A HA 0.003 4.327 4.320 0.006 0.000 0.220 518 A C 2.265 179.768 177.584 -0.134 0.000 1.159 518 A CA 1.754 53.721 52.037 -0.116 0.000 0.656 518 A CB -0.925 18.021 19.000 -0.090 0.000 0.800 518 A HN 0.786 nan 8.150 nan 0.000 0.453 519 T N -5.527 108.920 114.554 -0.177 0.000 3.091 519 T HA 0.432 4.786 4.350 0.006 0.000 0.277 519 T C 1.064 175.666 174.700 -0.163 0.000 0.996 519 T CA 0.889 62.887 62.100 -0.170 0.000 0.897 519 T CB -0.030 68.735 68.868 -0.172 0.000 1.109 519 T HN 1.634 nan 8.240 nan 0.000 0.534 520 G N 2.749 111.458 108.800 -0.153 0.000 2.366 520 G HA2 -0.337 3.627 3.960 0.006 0.000 0.299 520 G HA3 -0.337 3.627 3.960 0.006 0.000 0.299 520 G C 0.002 174.891 174.900 -0.018 0.000 1.020 520 G CA 0.277 45.359 45.100 -0.029 0.000 1.026 520 G HN 0.918 nan 8.290 nan 0.000 0.512 521 R N 0.072 120.470 120.500 -0.170 0.000 2.585 521 R HA 0.388 4.731 4.340 0.006 0.000 0.275 521 R C 0.893 177.063 176.300 -0.218 0.000 1.018 521 R CA 0.810 56.743 56.100 -0.278 0.000 1.072 521 R CB 0.264 30.270 30.300 -0.489 0.000 0.953 521 R HN 0.612 nan 8.270 nan 0.000 0.419 522 S N 3.670 119.172 115.700 -0.329 0.000 2.709 522 S HA 0.616 5.089 4.470 0.006 0.000 0.302 522 S C -1.138 173.289 174.600 -0.290 0.000 1.127 522 S CA -1.022 57.071 58.200 -0.180 0.000 0.905 522 S CB 1.431 64.644 63.200 0.021 0.000 1.151 522 S HN 0.633 nan 8.310 nan 0.000 0.510 523 W N 0.382 121.787 121.300 0.175 0.000 2.915 523 W HA 0.435 5.098 4.660 0.005 0.000 0.337 523 W C -1.424 175.188 176.519 0.155 0.000 1.102 523 W CA -0.471 57.010 57.345 0.225 0.000 1.224 523 W CB 2.112 31.840 29.460 0.446 0.000 1.416 523 W HN 0.609 nan 8.180 nan 0.000 0.503 524 D N 1.951 122.581 120.400 0.385 0.000 2.185 524 D HA 0.540 5.184 4.640 0.006 0.000 0.247 524 D C -0.447 176.095 176.300 0.403 0.000 1.027 524 D CA -0.365 53.831 54.000 0.327 0.000 0.861 524 D CB 2.190 43.153 40.800 0.271 0.000 1.202 524 D HN 0.086 nan 8.370 nan 0.000 0.453 525 I N 2.835 123.590 120.570 0.309 0.000 2.389 525 I HA 0.445 4.618 4.170 0.006 0.000 0.288 525 I C -0.591 175.720 176.117 0.323 0.000 0.999 525 I CA -0.906 60.543 61.300 0.249 0.000 1.129 525 I CB 0.560 38.627 38.000 0.112 0.000 1.288 525 I HN 0.240 nan 8.210 nan 0.000 0.444 526 F N 3.784 123.810 119.950 0.125 0.000 2.692 526 F HA 0.588 5.118 4.527 0.005 0.000 0.320 526 F C -0.930 174.921 175.800 0.085 0.000 1.123 526 F CA -1.130 56.935 58.000 0.108 0.000 0.961 526 F CB 1.244 40.293 39.000 0.081 0.000 1.383 526 F HN 0.212 nan 8.300 nan 0.000 0.483 527 N N 2.225 121.075 118.700 0.249 0.000 2.558 527 N HA 0.384 5.127 4.740 0.006 0.000 0.242 527 N C -2.217 173.409 175.510 0.194 0.000 0.979 527 N CA -2.628 50.484 53.050 0.103 0.000 0.931 527 N CB 1.605 40.133 38.487 0.070 0.000 1.122 527 N HN 0.399 nan 8.380 nan 0.000 0.508 528 P HA 0.020 nan 4.420 nan 0.000 0.242 528 P C 0.199 177.565 177.300 0.110 0.000 1.197 528 P CA 0.600 63.840 63.100 0.234 0.000 0.765 528 P CB 0.478 32.305 31.700 0.212 0.000 0.936 529 N N -0.064 118.674 118.700 0.062 0.000 2.412 529 N HA 0.047 4.791 4.740 0.006 0.000 0.184 529 N C 0.553 176.072 175.510 0.015 0.000 1.101 529 N CA 0.581 53.649 53.050 0.029 0.000 0.881 529 N CB 0.493 38.987 38.487 0.011 0.000 0.969 529 N HN 0.349 nan 8.380 nan 0.000 0.459 530 K N 0.336 120.748 120.400 0.020 0.000 2.444 530 K HA 0.615 4.939 4.320 0.006 0.000 0.252 530 K C -1.067 175.527 176.600 -0.010 0.000 0.993 530 K CA -0.714 55.566 56.287 -0.012 0.000 0.847 530 K CB 3.127 35.600 32.500 -0.044 0.000 1.340 530 K HN -0.321 nan 8.250 nan 0.000 0.446 531 V N 1.113 121.006 119.914 -0.036 0.000 2.686 531 V HA 0.209 4.332 4.120 0.006 0.000 0.306 531 V C -0.485 175.575 176.094 -0.056 0.000 1.065 531 V CA -1.189 61.089 62.300 -0.037 0.000 0.894 531 V CB 1.805 33.612 31.823 -0.027 0.000 1.004 531 V HN 0.760 nan 8.190 nan 0.000 0.424 532 N N 6.029 124.702 118.700 -0.044 0.000 2.468 532 N HA 0.118 4.861 4.740 0.006 0.000 0.265 532 N C -1.474 174.018 175.510 -0.030 0.000 1.199 532 N CA -1.048 51.976 53.050 -0.043 0.000 0.928 532 N CB 1.980 40.493 38.487 0.042 0.000 1.059 532 N HN 0.404 nan 8.380 nan 0.000 0.467 533 P HA -0.088 nan 4.420 nan 0.000 0.226 533 P C 0.543 177.928 177.300 0.141 0.000 1.153 533 P CA 1.084 64.163 63.100 -0.035 0.000 0.777 533 P CB 0.168 31.793 31.700 -0.125 0.000 0.794 534 Y N 1.247 121.554 120.300 0.012 0.000 2.190 534 Y HA -0.022 4.532 4.550 0.006 0.000 0.290 534 Y C 2.866 178.780 175.900 0.024 0.000 1.115 534 Y CA 1.049 59.159 58.100 0.017 0.000 1.107 534 Y CB -1.440 37.033 38.460 0.022 0.000 1.033 534 Y HN 0.051 nan 8.280 nan 0.000 0.502 535 S N -1.101 114.739 115.700 0.234 0.000 2.496 535 S HA 0.196 4.670 4.470 0.006 0.000 0.224 535 S C 1.867 176.497 174.600 0.051 0.000 0.996 535 S CA 0.638 58.934 58.200 0.161 0.000 0.927 535 S CB -0.334 63.049 63.200 0.305 0.000 0.774 535 S HN 0.657 nan 8.310 nan 0.000 0.524 536 G N 1.121 109.942 108.800 0.034 0.000 2.162 536 G HA2 -0.220 3.744 3.960 0.006 0.000 0.260 536 G HA3 -0.220 3.744 3.960 0.006 0.000 0.260 536 G C -0.053 174.799 174.900 -0.081 0.000 0.976 536 G CA 0.394 45.483 45.100 -0.018 0.000 0.655 536 G HN 0.511 nan 8.290 nan 0.000 0.533 537 K N 0.787 121.099 120.400 -0.147 0.000 2.118 537 K HA 0.538 4.862 4.320 0.006 0.000 0.254 537 K C -2.321 174.181 176.600 -0.162 0.000 0.961 537 K CA -2.302 53.818 56.287 -0.279 0.000 0.876 537 K CB 1.621 33.682 32.500 -0.730 0.000 1.077 537 K HN 0.116 nan 8.250 nan 0.000 0.440 538 P HA 0.129 nan 4.420 nan 0.000 0.271 538 P C -2.493 174.840 177.300 0.054 0.000 1.218 538 P CA -1.291 61.807 63.100 -0.004 0.000 0.780 538 P CB -0.319 31.442 31.700 0.102 0.000 0.901 539 P HA 0.040 nan 4.420 nan 0.000 0.268 539 P C -0.267 177.201 177.300 0.280 0.000 1.205 539 P CA 0.412 63.578 63.100 0.110 0.000 0.771 539 P CB 0.480 32.116 31.700 -0.106 0.000 0.858 540 S N 1.983 117.884 115.700 0.335 0.000 2.579 540 S HA 0.576 5.050 4.470 0.006 0.000 0.272 540 S C -1.551 173.212 174.600 0.272 0.000 1.141 540 S CA -0.747 57.660 58.200 0.344 0.000 0.843 540 S CB 1.080 64.447 63.200 0.279 0.000 1.122 540 S HN 0.325 nan 8.310 nan 0.000 0.468 541 Y N 0.774 121.122 120.300 0.080 0.000 2.352 541 Y HA 0.564 5.117 4.550 0.006 0.000 0.339 541 Y C 0.303 176.250 175.900 0.078 0.000 0.992 541 Y CA -0.575 57.539 58.100 0.024 0.000 1.100 541 Y CB 1.858 40.310 38.460 -0.013 0.000 1.192 541 Y HN 0.763 nan 8.280 nan 0.000 0.458 542 K N 4.262 124.723 120.400 0.102 0.000 2.235 542 K HA 0.394 4.717 4.320 0.006 0.000 0.266 542 K C -1.475 175.186 176.600 0.102 0.000 0.980 542 K CA -0.929 55.425 56.287 0.112 0.000 0.849 542 K CB 0.944 33.485 32.500 0.068 0.000 1.098 542 K HN 0.610 nan 8.250 nan 0.000 0.445 543 L N 5.674 126.969 121.223 0.121 0.000 2.315 543 L HA 0.252 4.596 4.340 0.006 0.000 0.283 543 L C -1.358 175.606 176.870 0.156 0.000 1.089 543 L CA 0.028 54.914 54.840 0.076 0.000 0.833 543 L CB 1.104 43.161 42.059 -0.003 0.000 1.170 543 L HN 0.353 nan 8.230 nan 0.000 0.442 544 V N 4.908 124.863 119.914 0.068 0.000 2.350 544 V HA 0.624 4.748 4.120 0.006 0.000 0.285 544 V C -0.105 176.004 176.094 0.024 0.000 1.014 544 V CA -0.283 62.059 62.300 0.069 0.000 0.831 544 V CB 1.022 32.865 31.823 0.033 0.000 1.000 544 V HN 0.841 nan 8.190 nan 0.000 0.433 545 S N 2.804 118.538 115.700 0.056 0.000 2.652 545 S HA 0.426 4.900 4.470 0.006 0.000 0.273 545 S C 0.440 174.965 174.600 -0.124 0.000 1.172 545 S CA 0.218 58.435 58.200 0.028 0.000 1.009 545 S CB 1.697 64.985 63.200 0.146 0.000 1.094 545 S HN 0.955 nan 8.310 nan 0.000 0.471 546 T N 1.388 115.802 114.554 -0.232 0.000 2.975 546 T HA 0.295 4.648 4.350 0.006 0.000 0.257 546 T C 0.403 174.971 174.700 -0.219 0.000 1.003 546 T CA -0.046 61.723 62.100 -0.550 0.000 0.932 546 T CB -0.101 68.559 68.868 -0.346 0.000 1.087 546 T HN 0.559 nan 8.240 nan 0.000 0.512 547 Q N 1.078 120.866 119.800 -0.019 0.000 2.844 547 Q HA 0.359 4.702 4.340 0.006 0.000 0.235 547 Q C -0.960 175.154 176.000 0.191 0.000 1.336 547 Q CA -0.476 55.387 55.803 0.100 0.000 1.026 547 Q CB -0.314 28.502 28.738 0.131 0.000 1.513 547 Q HN 0.457 nan 8.270 nan 0.000 0.577 548 C N 2.987 122.393 119.300 0.177 0.000 3.188 548 C HA 0.352 4.816 4.460 0.006 0.000 0.230 548 C C -2.172 172.962 174.990 0.239 0.000 1.239 548 C CA -1.849 57.321 59.018 0.253 0.000 1.494 548 C CB -0.392 27.569 27.740 0.369 0.000 1.798 548 C HN 0.550 nan 8.230 nan 0.000 0.458 549 P HA 0.255 nan 4.420 nan 0.000 0.271 549 P C -2.177 175.190 177.300 0.112 0.000 1.218 549 P CA -0.709 62.472 63.100 0.135 0.000 0.780 549 P CB 0.085 31.838 31.700 0.088 0.000 0.901 550 P HA 0.055 nan 4.420 nan 0.000 0.272 550 P C -0.586 176.712 177.300 -0.003 0.000 1.223 550 P CA -0.324 62.805 63.100 0.049 0.000 0.784 550 P CB 0.520 32.250 31.700 0.049 0.000 0.923 551 L N 3.209 124.398 121.223 -0.057 0.000 2.433 551 L HA 0.046 4.390 4.340 0.006 0.000 0.275 551 L C 1.147 177.968 176.870 -0.082 0.000 1.128 551 L CA 0.379 55.157 54.840 -0.103 0.000 0.875 551 L CB -0.488 41.466 42.059 -0.176 0.000 1.171 551 L HN 0.333 nan 8.230 nan 0.000 0.463 552 L N 4.824 126.007 121.223 -0.067 0.000 2.179 552 L HA 0.158 4.501 4.340 0.006 0.000 0.208 552 L C 1.423 178.256 176.870 -0.062 0.000 1.096 552 L CA 0.420 55.237 54.840 -0.038 0.000 0.779 552 L CB -0.482 41.575 42.059 -0.004 0.000 0.922 552 L HN 0.836 nan 8.230 nan 0.000 0.443 553 A N 1.121 123.881 122.820 -0.101 0.000 2.531 553 A HA 0.091 4.415 4.320 0.006 0.000 0.236 553 A C 0.296 177.805 177.584 -0.125 0.000 1.062 553 A CA 0.070 52.032 52.037 -0.125 0.000 0.760 553 A CB 0.046 18.946 19.000 -0.167 0.000 0.995 553 A HN 0.147 nan 8.150 nan 0.000 0.501 554 K N 1.794 122.125 120.400 -0.116 0.000 2.219 554 K HA 0.132 4.456 4.320 0.006 0.000 0.258 554 K C -0.048 176.479 176.600 -0.122 0.000 1.008 554 K CA -0.224 56.002 56.287 -0.102 0.000 0.928 554 K CB 0.564 33.013 32.500 -0.085 0.000 0.983 554 K HN 0.777 nan 8.250 nan 0.000 0.484 555 E N 0.006 120.141 120.200 -0.108 0.000 2.452 555 E HA -0.024 4.329 4.350 0.006 0.000 0.261 555 E C 0.843 177.374 176.600 -0.115 0.000 0.987 555 E CA 0.640 56.972 56.400 -0.114 0.000 0.926 555 E CB 0.145 29.791 29.700 -0.089 0.000 0.934 555 E HN 0.874 nan 8.360 nan 0.000 0.452 556 G N 2.636 111.355 108.800 -0.135 0.000 2.199 556 G HA2 -0.352 3.611 3.960 0.006 0.000 0.254 556 G HA3 -0.352 3.611 3.960 0.006 0.000 0.254 556 G C 0.435 175.239 174.900 -0.160 0.000 0.982 556 G CA 0.368 45.385 45.100 -0.139 0.000 0.632 556 G HN 0.718 nan 8.290 nan 0.000 0.529 557 S N 0.023 115.620 115.700 -0.172 0.000 2.584 557 S HA 0.521 4.994 4.470 0.006 0.000 0.270 557 S C 1.546 175.995 174.600 -0.251 0.000 1.346 557 S CA 0.165 58.249 58.200 -0.193 0.000 1.018 557 S CB 1.538 64.622 63.200 -0.193 0.000 0.899 557 S HN 1.043 nan 8.310 nan 0.000 0.542 558 L N 2.733 123.797 121.223 -0.266 0.000 2.043 558 L HA -0.069 4.274 4.340 0.006 0.000 0.212 558 L C 2.386 178.993 176.870 -0.439 0.000 1.075 558 L CA 1.650 56.288 54.840 -0.338 0.000 0.752 558 L CB -1.077 40.815 42.059 -0.280 0.000 0.891 558 L HN 0.742 nan 8.230 nan 0.000 0.432 559 V N -0.208 119.424 119.914 -0.470 0.000 2.261 559 V HA -0.293 3.831 4.120 0.006 0.000 0.246 559 V C 2.756 178.642 176.094 -0.347 0.000 1.047 559 V CA 1.729 63.769 62.300 -0.434 0.000 1.015 559 V CB -1.333 30.282 31.823 -0.347 0.000 0.642 559 V HN 0.597 nan 8.190 nan 0.000 0.446 560 A N -0.480 122.154 122.820 -0.311 0.000 1.972 560 A HA -0.233 4.091 4.320 0.006 0.000 0.219 560 A C 2.271 179.672 177.584 -0.306 0.000 1.169 560 A CA 1.958 53.816 52.037 -0.298 0.000 0.635 560 A CB -0.397 18.459 19.000 -0.241 0.000 0.810 560 A HN 0.579 nan 8.150 nan 0.000 0.446 561 K N -0.728 119.474 120.400 -0.330 0.000 2.062 561 K HA -0.026 4.298 4.320 0.006 0.000 0.205 561 K C 2.150 178.460 176.600 -0.484 0.000 1.051 561 K CA 1.200 57.256 56.287 -0.385 0.000 0.941 561 K CB -0.124 32.111 32.500 -0.442 0.000 0.719 561 K HN 0.361 nan 8.250 nan 0.000 0.440 562 R N 0.122 120.346 120.500 -0.459 0.000 2.236 562 R HA 0.066 4.410 4.340 0.006 0.000 0.208 562 R C 0.438 176.711 176.300 -0.044 0.000 1.036 562 R CA 0.673 56.572 56.100 -0.335 0.000 1.001 562 R CB 0.309 30.509 30.300 -0.167 0.000 0.896 562 R HN 0.010 nan 8.270 nan 0.000 0.464 563 A N 1.353 124.023 122.820 -0.250 0.000 3.204 563 A HA 0.297 4.621 4.320 0.006 0.000 0.327 563 A C -2.037 175.130 177.584 -0.696 0.000 0.998 563 A CA -1.274 50.430 52.037 -0.555 0.000 0.891 563 A CB 0.581 19.079 19.000 -0.836 0.000 1.061 563 A HN -0.075 nan 8.150 nan 0.000 0.478 564 P HA -0.173 nan 4.420 nan 0.000 0.218 564 P C 1.534 178.726 177.300 -0.180 0.000 1.148 564 P CA 1.142 64.118 63.100 -0.206 0.000 0.822 564 P CB -0.245 31.415 31.700 -0.067 0.000 0.784 565 W N 0.409 121.664 121.300 -0.075 0.000 2.392 565 W HA 0.126 4.790 4.660 0.006 0.000 0.279 565 W C 1.505 178.021 176.519 -0.005 0.000 1.225 565 W CA 0.720 58.036 57.345 -0.049 0.000 1.233 565 W CB -1.805 27.610 29.460 -0.075 0.000 1.122 565 W HN -0.078 nan 8.180 nan 0.000 0.561 566 A N 0.864 123.284 122.820 -0.667 0.000 2.167 566 A HA 0.006 4.330 4.320 0.006 0.000 0.214 566 A C 2.095 179.520 177.584 -0.265 0.000 1.151 566 A CA 1.243 52.941 52.037 -0.566 0.000 0.735 566 A CB -0.694 17.660 19.000 -1.076 0.000 0.802 566 A HN 0.208 nan 8.150 nan 0.000 0.467 567 S N -0.669 114.877 115.700 -0.256 0.000 2.453 567 S HA 0.011 4.485 4.470 0.006 0.000 0.231 567 S C 0.224 174.552 174.600 -0.453 0.000 1.005 567 S CA 0.648 58.651 58.200 -0.329 0.000 0.949 567 S CB -0.233 62.751 63.200 -0.361 0.000 0.774 567 S HN 0.791 nan 8.310 nan 0.000 0.510 568 H N -1.376 117.700 119.070 0.011 0.000 2.821 568 H HA 0.408 4.968 4.556 0.006 0.000 0.373 568 H C 0.738 176.127 175.328 0.102 0.000 1.165 568 H CA -0.506 55.580 56.048 0.063 0.000 1.154 568 H CB 1.445 31.230 29.762 0.039 0.000 1.765 568 H HN -0.126 nan 8.280 nan 0.000 0.549 569 S N 0.535 116.402 115.700 0.278 0.000 2.402 569 S HA -0.000 4.473 4.470 0.006 0.000 0.229 569 S C 0.467 175.139 174.600 0.120 0.000 1.021 569 S CA 0.676 59.015 58.200 0.233 0.000 0.974 569 S CB 0.277 63.717 63.200 0.400 0.000 0.800 569 S HN 0.251 nan 8.310 nan 0.000 0.484 570 V N 2.627 122.547 119.914 0.011 0.000 2.638 570 V HA 0.420 4.544 4.120 0.006 0.000 0.306 570 V C -1.081 174.896 176.094 -0.195 0.000 1.052 570 V CA -0.955 61.185 62.300 -0.267 0.000 0.885 570 V CB 2.034 33.422 31.823 -0.724 0.000 0.999 570 V HN 0.273 nan 8.190 nan 0.000 0.424 571 N N 3.291 121.874 118.700 -0.194 0.000 2.410 571 N HA 0.582 5.326 4.740 0.006 0.000 0.287 571 N C -1.446 173.996 175.510 -0.113 0.000 1.044 571 N CA -0.339 52.638 53.050 -0.122 0.000 0.881 571 N CB 2.808 41.319 38.487 0.039 0.000 1.405 571 N HN 0.337 nan 8.380 nan 0.000 0.490 572 V N 1.894 121.728 119.914 -0.133 0.000 2.448 572 V HA 0.541 4.665 4.120 0.006 0.000 0.295 572 V C 0.210 176.348 176.094 0.074 0.000 1.025 572 V CA -0.777 61.522 62.300 -0.001 0.000 0.859 572 V CB 1.665 33.511 31.823 0.038 0.000 0.988 572 V HN 0.502 nan 8.190 nan 0.000 0.431 573 V N 3.117 123.122 119.914 0.151 0.000 3.102 573 V HA 0.788 4.912 4.120 0.006 0.000 0.312 573 V C -2.944 173.209 176.094 0.098 0.000 1.135 573 V CA -3.027 59.347 62.300 0.123 0.000 1.022 573 V CB 2.198 34.118 31.823 0.163 0.000 1.056 573 V HN 0.623 nan 8.190 nan 0.000 0.436 574 P HA 0.153 nan 4.420 nan 0.000 0.269 574 P C -1.172 176.128 177.300 -0.001 0.000 1.209 574 P CA 0.223 63.353 63.100 0.049 0.000 0.776 574 P CB 0.032 31.749 31.700 0.028 0.000 0.876 575 Y N 3.056 123.323 120.300 -0.054 0.000 2.442 575 Y HA 0.232 4.785 4.550 0.006 0.000 0.330 575 Y C 0.130 175.956 175.900 -0.124 0.000 1.129 575 Y CA 0.724 58.764 58.100 -0.099 0.000 1.365 575 Y CB 0.365 38.779 38.460 -0.076 0.000 1.233 575 Y HN 0.212 nan 8.280 nan 0.000 0.529 576 K N 4.163 123.964 120.400 -0.998 0.000 2.469 576 K HA 0.276 4.600 4.320 0.006 0.000 0.254 576 K C -1.366 174.568 176.600 -1.109 0.000 0.939 576 K CA -0.777 55.054 56.287 -0.760 0.000 0.812 576 K CB 1.189 33.426 32.500 -0.437 0.000 1.301 576 K HN 0.596 nan 8.250 nan 0.000 0.433 577 D N 1.334 121.424 120.400 -0.515 0.000 2.449 577 D HA -0.027 4.617 4.640 0.006 0.000 0.236 577 D C 0.355 176.459 176.300 -0.326 0.000 1.149 577 D CA 0.846 54.670 54.000 -0.292 0.000 0.878 577 D CB 0.418 41.195 40.800 -0.038 0.000 1.198 577 D HN 0.627 nan 8.370 nan 0.000 0.446 578 N N 0.738 119.272 118.700 -0.277 0.000 2.741 578 N HA -0.233 4.510 4.740 0.006 0.000 0.250 578 N C -0.834 174.464 175.510 -0.353 0.000 1.115 578 N CA 0.480 53.364 53.050 -0.276 0.000 0.724 578 N CB -0.659 37.708 38.487 -0.200 0.000 1.090 578 N HN 0.341 nan 8.380 nan 0.000 0.558 579 R N 0.636 120.813 120.500 -0.538 0.000 3.171 579 R HA 0.263 4.607 4.340 0.006 0.000 0.241 579 R C 0.901 176.836 176.300 -0.608 0.000 1.421 579 R CA -0.203 55.413 56.100 -0.806 0.000 1.444 579 R CB 0.210 29.711 30.300 -1.332 0.000 1.247 579 R HN 0.340 nan 8.270 nan 0.000 0.636 580 L N 0.626 121.601 121.223 -0.414 0.000 2.433 580 L HA 0.201 4.545 4.340 0.006 0.000 0.200 580 L C -0.160 176.553 176.870 -0.262 0.000 1.059 580 L CA 0.454 54.957 54.840 -0.562 0.000 0.835 580 L CB 0.241 41.511 42.059 -1.314 0.000 1.076 580 L HN 0.340 nan 8.230 nan 0.000 0.481 581 Y N 1.016 121.488 120.300 0.287 0.000 2.402 581 Y HA 0.294 4.847 4.550 0.006 0.000 0.332 581 Y C -1.716 174.205 175.900 0.035 0.000 0.960 581 Y CA -3.267 54.902 58.100 0.116 0.000 1.228 581 Y CB 0.178 38.613 38.460 -0.043 0.000 1.120 581 Y HN -0.057 nan 8.280 nan 0.000 0.491 582 P HA -0.001 nan 4.420 nan 0.000 0.241 582 P C 0.471 177.680 177.300 -0.152 0.000 1.191 582 P CA 0.693 63.553 63.100 -0.401 0.000 0.771 582 P CB 0.585 31.995 31.700 -0.484 0.000 0.929 583 S N -0.602 115.117 115.700 0.031 0.000 2.575 583 S HA 0.490 4.964 4.470 0.006 0.000 0.237 583 S C 0.814 175.325 174.600 -0.148 0.000 0.975 583 S CA 0.268 58.555 58.200 0.145 0.000 0.960 583 S CB -0.140 63.289 63.200 0.381 0.000 0.822 583 S HN 0.483 nan 8.310 nan 0.000 0.472 584 G N 1.421 110.070 108.800 -0.251 0.000 2.662 584 G HA2 -0.147 3.816 3.960 0.006 0.000 0.686 584 G HA3 -0.147 3.816 3.960 0.006 0.000 0.686 584 G C -0.383 174.414 174.900 -0.171 0.000 1.271 584 G CA -0.454 44.450 45.100 -0.328 0.000 0.816 584 G HN 0.203 nan 8.290 nan 0.000 0.608 585 D N -0.035 120.244 120.400 -0.201 0.000 2.149 585 D HA 0.036 4.679 4.640 0.006 0.000 0.201 585 D C 0.847 176.830 176.300 -0.528 0.000 0.972 585 D CA 1.448 55.272 54.000 -0.292 0.000 0.835 585 D CB 0.005 40.590 40.800 -0.359 0.000 0.966 585 D HN 0.493 nan 8.370 nan 0.000 0.476 586 H N 0.170 119.201 119.070 -0.064 0.000 2.792 586 H HA 0.255 4.814 4.556 0.006 0.000 0.298 586 H C 0.866 176.169 175.328 -0.040 0.000 1.042 586 H CA -0.305 55.721 56.048 -0.036 0.000 1.300 586 H CB 1.643 31.396 29.762 -0.014 0.000 1.431 586 H HN -0.208 nan 8.280 nan 0.000 0.496 587 V N 3.892 123.842 119.914 0.060 0.000 2.379 587 V HA -0.005 4.118 4.120 0.006 0.000 0.243 587 V C -1.640 174.551 176.094 0.161 0.000 1.035 587 V CA 0.473 62.833 62.300 0.099 0.000 1.035 587 V CB -0.905 30.943 31.823 0.042 0.000 0.673 587 V HN 0.454 nan 8.190 nan 0.000 0.457 588 P HA 0.053 nan 4.420 nan 0.000 0.262 588 P C 0.246 177.655 177.300 0.181 0.000 1.182 588 P CA 0.848 64.002 63.100 0.091 0.000 0.761 588 P CB 0.129 31.845 31.700 0.025 0.000 0.795 589 Q N -1.537 118.402 119.800 0.232 0.000 2.374 589 Q HA -0.224 4.120 4.340 0.006 0.000 0.218 589 Q C -0.289 175.976 176.000 0.442 0.000 0.691 589 Q CA 0.468 56.471 55.803 0.334 0.000 1.340 589 Q CB -1.840 27.035 28.738 0.228 0.000 1.498 589 Q HN 0.527 nan 8.270 nan 0.000 0.739 590 W N 2.177 123.559 121.300 0.137 0.000 2.253 590 W HA 0.260 4.923 4.660 0.005 0.000 0.322 590 W C 1.259 177.685 176.519 -0.154 0.000 1.342 590 W CA 0.237 57.599 57.345 0.029 0.000 1.218 590 W CB 0.527 29.987 29.460 0.000 0.000 1.205 590 W HN 0.145 nan 8.180 nan 0.000 0.551 591 S N 3.545 118.824 115.700 -0.702 0.000 2.481 591 S HA 0.091 4.564 4.470 0.006 0.000 0.231 591 S C 1.617 175.415 174.600 -1.338 0.000 0.996 591 S CA 0.840 58.191 58.200 -1.415 0.000 0.942 591 S CB -0.397 62.198 63.200 -1.008 0.000 0.768 591 S HN 1.693 nan 8.310 nan 0.000 0.520 592 G N 0.739 108.260 108.800 -2.133 0.000 2.194 592 G HA2 -0.177 3.786 3.960 0.006 0.000 0.236 592 G HA3 -0.177 3.786 3.960 0.006 0.000 0.236 592 G C -0.454 173.781 174.900 -1.109 0.000 0.987 592 G CA 0.089 43.950 45.100 -2.064 0.000 0.635 592 G HN 0.574 nan 8.290 nan 0.000 0.520 593 D N 1.219 121.209 120.400 -0.683 0.000 2.225 593 D HA 0.554 5.197 4.640 0.006 0.000 0.248 593 D C 0.716 177.143 176.300 0.212 0.000 1.096 593 D CA 1.396 55.295 54.000 -0.167 0.000 0.863 593 D CB 1.345 42.065 40.800 -0.134 0.000 1.156 593 D HN 1.365 nan 8.370 nan 0.000 0.450 594 G N 0.195 109.115 108.800 0.201 0.000 2.428 594 G HA2 -0.069 3.895 3.960 0.006 0.000 0.681 594 G HA3 -0.069 3.895 3.960 0.006 0.000 0.681 594 G C -1.063 173.943 174.900 0.177 0.000 1.340 594 G CA -0.999 44.231 45.100 0.216 0.000 0.915 594 G HN 0.333 nan 8.290 nan 0.000 0.645 595 V N 2.300 122.250 119.914 0.060 0.000 2.284 595 V HA 0.635 4.759 4.120 0.006 0.000 0.260 595 V C 0.784 176.828 176.094 -0.083 0.000 1.084 595 V CA 0.528 62.825 62.300 -0.006 0.000 0.894 595 V CB -0.259 31.559 31.823 -0.008 0.000 1.119 595 V HN 1.021 nan 8.190 nan 0.000 0.484 596 R N 2.744 123.143 120.500 -0.168 0.000 2.781 596 R HA 0.841 5.184 4.340 0.006 0.000 0.269 596 R C 0.475 176.472 176.300 -0.505 0.000 1.025 596 R CA -0.130 55.774 56.100 -0.327 0.000 0.914 596 R CB 1.183 31.208 30.300 -0.459 0.000 1.236 596 R HN 0.764 nan 8.270 nan 0.000 0.465 597 G N 1.151 109.550 108.800 -0.669 0.000 2.594 597 G HA2 -0.433 3.531 3.960 0.006 0.000 0.297 597 G HA3 -0.433 3.531 3.960 0.006 0.000 0.297 597 G C 0.541 174.360 174.900 -1.802 0.000 1.273 597 G CA 0.868 45.286 45.100 -1.137 0.000 0.974 597 G HN 0.766 nan 8.290 nan 0.000 0.552 598 M N 0.482 119.285 119.600 -1.328 0.000 2.202 598 M HA 0.020 4.504 4.480 0.006 0.000 0.262 598 M C 2.397 178.419 176.300 -0.464 0.000 1.063 598 M CA 2.714 57.480 55.300 -0.890 0.000 1.097 598 M CB -0.538 31.843 32.600 -0.365 0.000 1.382 598 M HN 0.615 nan 8.290 nan 0.000 0.413 599 R N -0.364 119.927 120.500 -0.347 0.000 2.081 599 R HA -0.199 4.145 4.340 0.006 0.000 0.235 599 R C 2.235 178.439 176.300 -0.160 0.000 1.131 599 R CA 1.999 57.998 56.100 -0.167 0.000 0.960 599 R CB -0.359 29.898 30.300 -0.070 0.000 0.856 599 R HN 0.667 nan 8.270 nan 0.000 0.436 600 E N -0.536 119.504 120.200 -0.266 0.000 2.072 600 E HA -0.184 4.170 4.350 0.006 0.000 0.191 600 E C 1.414 178.033 176.600 0.031 0.000 0.985 600 E CA 1.190 57.514 56.400 -0.128 0.000 0.801 600 E CB -0.072 29.542 29.700 -0.143 0.000 0.750 600 E HN 0.414 nan 8.360 nan 0.000 0.452 601 W N 0.511 121.764 121.300 -0.079 0.000 2.402 601 W HA -0.008 4.655 4.660 0.005 0.000 0.286 601 W C 2.050 178.532 176.519 -0.061 0.000 1.221 601 W CA 0.212 57.508 57.345 -0.082 0.000 1.257 601 W CB -0.803 28.584 29.460 -0.121 0.000 1.120 601 W HN 0.168 nan 8.180 nan 0.000 0.551 602 I N 0.036 120.674 120.570 0.112 0.000 2.353 602 I HA -0.064 4.109 4.170 0.006 0.000 0.248 602 I C 2.211 178.349 176.117 0.034 0.000 1.119 602 I CA 1.260 62.589 61.300 0.048 0.000 1.417 602 I CB -1.069 36.928 38.000 -0.004 0.000 1.078 602 I HN 0.070 nan 8.210 nan 0.000 0.421 603 G N 2.389 111.205 108.800 0.026 0.000 2.651 603 G HA2 -0.443 3.520 3.960 0.006 0.000 0.315 603 G HA3 -0.443 3.520 3.960 0.006 0.000 0.315 603 G C 0.560 175.466 174.900 0.009 0.000 1.258 603 G CA 0.809 45.921 45.100 0.020 0.000 1.002 603 G HN 0.541 nan 8.290 nan 0.000 0.551 604 D N 1.341 121.748 120.400 0.012 0.000 2.328 604 D HA 0.380 5.024 4.640 0.006 0.000 0.221 604 D C 1.775 178.077 176.300 0.005 0.000 1.072 604 D CA 1.093 55.097 54.000 0.007 0.000 0.850 604 D CB -0.414 40.392 40.800 0.009 0.000 0.922 604 D HN 2.152 nan 8.370 nan 0.000 0.516 605 G N 0.378 109.180 108.800 0.004 0.000 2.184 605 G HA2 -0.365 3.598 3.960 0.006 0.000 0.264 605 G HA3 -0.365 3.598 3.960 0.006 0.000 0.264 605 G C 1.082 175.985 174.900 0.006 0.000 0.975 605 G CA 0.866 45.964 45.100 -0.004 0.000 0.642 605 G HN 0.731 nan 8.290 nan 0.000 0.536 606 S N -0.677 115.032 115.700 0.016 0.000 2.548 606 S HA 0.329 4.802 4.470 0.006 0.000 0.215 606 S C 0.615 175.233 174.600 0.029 0.000 0.976 606 S CA 0.637 58.850 58.200 0.022 0.000 0.908 606 S CB 0.396 63.609 63.200 0.021 0.000 0.781 606 S HN 0.604 nan 8.310 nan 0.000 0.519 607 E N 2.402 122.621 120.200 0.031 0.000 2.392 607 E HA 0.179 4.533 4.350 0.006 0.000 0.264 607 E C -0.291 176.337 176.600 0.046 0.000 1.024 607 E CA -0.413 56.009 56.400 0.037 0.000 0.903 607 E CB 0.284 30.007 29.700 0.038 0.000 0.963 607 E HN 0.393 nan 8.360 nan 0.000 0.432 608 N N 2.446 121.174 118.700 0.047 0.000 2.483 608 N HA -0.006 4.738 4.740 0.006 0.000 0.264 608 N C -0.038 175.511 175.510 0.065 0.000 1.197 608 N CA 0.313 53.397 53.050 0.057 0.000 0.927 608 N CB 0.361 38.877 38.487 0.049 0.000 1.065 608 N HN 0.538 nan 8.380 nan 0.000 0.461 609 I N -1.713 118.907 120.570 0.084 0.000 3.994 609 I HA 0.430 4.604 4.170 0.006 0.000 0.323 609 I C -0.413 175.758 176.117 0.090 0.000 1.501 609 I CA -0.540 60.817 61.300 0.096 0.000 1.112 609 I CB 0.325 38.402 38.000 0.127 0.000 1.254 609 I HN 0.232 nan 8.210 nan 0.000 0.495 610 D N 2.551 122.995 120.400 0.074 0.000 2.274 610 D HA 0.198 4.841 4.640 0.006 0.000 0.239 610 D C 0.227 176.537 176.300 0.016 0.000 1.104 610 D CA 0.077 54.106 54.000 0.049 0.000 0.840 610 D CB 0.666 41.514 40.800 0.080 0.000 1.100 610 D HN 0.255 nan 8.370 nan 0.000 0.477 611 N N 2.425 121.104 118.700 -0.034 0.000 2.681 611 N HA -0.217 4.527 4.740 0.006 0.000 0.259 611 N C -1.345 174.158 175.510 -0.010 0.000 1.066 611 N CA 1.200 54.231 53.050 -0.032 0.000 0.717 611 N CB -0.938 37.548 38.487 -0.002 0.000 0.885 611 N HN 0.531 nan 8.380 nan 0.000 0.547 612 T N -0.840 113.708 114.554 -0.010 0.000 2.626 612 T HA 0.329 4.682 4.350 0.006 0.000 0.299 612 T C -1.865 172.840 174.700 0.007 0.000 1.181 612 T CA -0.551 61.554 62.100 0.007 0.000 1.053 612 T CB 0.710 69.594 68.868 0.027 0.000 1.566 612 T HN 0.061 nan 8.240 nan 0.000 0.486 613 D N 2.377 122.789 120.400 0.021 0.000 2.316 613 D HA 0.469 5.113 4.640 0.006 0.000 0.245 613 D C 0.157 176.518 176.300 0.102 0.000 1.171 613 D CA 0.035 54.048 54.000 0.022 0.000 0.856 613 D CB 0.423 41.215 40.800 -0.013 0.000 1.090 613 D HN 0.624 nan 8.370 nan 0.000 0.476 614 I N -1.711 118.922 120.570 0.106 0.000 2.957 614 I HA 0.613 4.787 4.170 0.006 0.000 0.310 614 I C -1.172 175.054 176.117 0.181 0.000 1.063 614 I CA -1.158 60.230 61.300 0.147 0.000 1.033 614 I CB 1.953 40.039 38.000 0.143 0.000 1.230 614 I HN 0.017 nan 8.210 nan 0.000 0.447 615 L N 2.973 124.310 121.223 0.189 0.000 2.385 615 L HA 0.498 4.841 4.340 0.006 0.000 0.273 615 L C -1.419 175.592 176.870 0.235 0.000 0.990 615 L CA -0.440 54.496 54.840 0.161 0.000 0.821 615 L CB 2.377 44.527 42.059 0.151 0.000 1.279 615 L HN 0.575 nan 8.230 nan 0.000 0.412 616 F N 3.440 123.366 119.950 -0.040 0.000 2.403 616 F HA 0.525 5.055 4.527 0.006 0.000 0.355 616 F C -1.022 174.727 175.800 -0.086 0.000 1.119 616 F CA -0.482 57.540 58.000 0.037 0.000 1.007 616 F CB 0.710 39.729 39.000 0.032 0.000 1.194 616 F HN 0.174 nan 8.300 nan 0.000 0.443 617 F N 5.149 125.153 119.950 0.090 0.000 2.404 617 F HA 0.282 4.813 4.527 0.006 0.000 0.354 617 F C -0.247 175.643 175.800 0.151 0.000 1.122 617 F CA -0.628 57.460 58.000 0.146 0.000 1.080 617 F CB 0.889 39.960 39.000 0.117 0.000 1.131 617 F HN 0.454 nan 8.300 nan 0.000 0.471 618 H N 1.562 120.813 119.070 0.302 0.000 2.505 618 H HA 0.444 5.004 4.556 0.006 0.000 0.338 618 H C -0.922 174.633 175.328 0.378 0.000 1.057 618 H CA -0.678 55.524 56.048 0.256 0.000 1.202 618 H CB 1.314 31.243 29.762 0.279 0.000 1.466 618 H HN 0.504 nan 8.280 nan 0.000 0.499 619 T N 7.365 121.908 114.554 -0.018 0.000 2.767 619 T HA 0.430 4.783 4.350 0.006 0.000 0.288 619 T C -0.829 173.797 174.700 -0.123 0.000 0.963 619 T CA -0.301 61.849 62.100 0.083 0.000 1.019 619 T CB -0.299 68.720 68.868 0.252 0.000 0.923 619 T HN 0.491 nan 8.240 nan 0.000 0.468 620 F N 0.248 120.131 119.950 -0.111 0.000 2.715 620 F HA 0.956 5.486 4.527 0.006 0.000 0.318 620 F C 0.140 176.079 175.800 0.231 0.000 1.141 620 F CA -0.767 57.212 58.000 -0.034 0.000 0.950 620 F CB 1.083 40.014 39.000 -0.115 0.000 1.374 620 F HN 0.883 nan 8.300 nan 0.000 0.477 621 G N 0.342 109.286 108.800 0.241 0.000 2.373 621 G HA2 0.423 4.386 3.960 0.006 0.000 0.250 621 G HA3 0.423 4.386 3.960 0.006 0.000 0.250 621 G C -1.985 173.048 174.900 0.221 0.000 1.304 621 G CA -0.325 44.926 45.100 0.251 0.000 0.948 621 G HN 1.555 nan 8.290 nan 0.000 0.474 622 I N -2.849 117.842 120.570 0.201 0.000 3.074 622 I HA 0.851 5.025 4.170 0.006 0.000 0.310 622 I C -0.703 175.454 176.117 0.067 0.000 1.153 622 I CA -1.050 60.327 61.300 0.128 0.000 0.993 622 I CB 2.330 40.390 38.000 0.100 0.000 1.237 622 I HN 0.466 nan 8.210 nan 0.000 0.443 623 T N 1.370 115.921 114.554 -0.005 0.000 2.770 623 T HA 0.329 4.683 4.350 0.006 0.000 0.283 623 T C -0.955 173.586 174.700 -0.265 0.000 0.988 623 T CA -0.159 61.838 62.100 -0.172 0.000 0.957 623 T CB 0.159 68.941 68.868 -0.143 0.000 0.930 623 T HN 0.639 nan 8.240 nan 0.000 0.443 624 H N 2.939 121.647 119.070 -0.604 0.000 2.581 624 H HA 0.424 4.983 4.556 0.006 0.000 0.308 624 H C -1.154 173.738 175.328 -0.727 0.000 1.040 624 H CA -1.128 54.587 56.048 -0.555 0.000 1.231 624 H CB 0.299 29.714 29.762 -0.577 0.000 1.396 624 H HN 0.433 nan 8.280 nan 0.000 0.467 625 F N 6.718 126.760 119.950 0.152 0.000 2.313 625 F HA 0.284 4.815 4.527 0.006 0.000 0.369 625 F C -1.977 173.908 175.800 0.142 0.000 1.109 625 F CA -2.478 55.568 58.000 0.077 0.000 1.132 625 F CB 0.750 39.787 39.000 0.062 0.000 1.291 625 F HN 0.520 nan 8.300 nan 0.000 0.496 626 P HA 0.271 nan 4.420 nan 0.000 0.267 626 P C -0.698 176.706 177.300 0.173 0.000 1.200 626 P CA -0.012 63.162 63.100 0.123 0.000 0.772 626 P CB 0.864 32.566 31.700 0.004 0.000 0.855 627 A N 3.795 126.724 122.820 0.182 0.000 2.527 627 A HA 0.616 4.940 4.320 0.006 0.000 0.293 627 A C -2.098 175.566 177.584 0.134 0.000 1.117 627 A CA -1.492 50.625 52.037 0.133 0.000 0.723 627 A CB 0.716 19.791 19.000 0.125 0.000 1.313 627 A HN 0.254 nan 8.150 nan 0.000 0.411 628 P HA -0.137 nan 4.420 nan 0.000 0.219 628 P C 0.724 178.126 177.300 0.170 0.000 1.146 628 P CA 1.448 64.636 63.100 0.147 0.000 0.808 628 P CB 0.254 32.025 31.700 0.118 0.000 0.779 629 E N -0.565 119.711 120.200 0.127 0.000 2.209 629 E HA -0.172 4.182 4.350 0.006 0.000 0.196 629 E C 1.270 177.936 176.600 0.110 0.000 0.993 629 E CA 1.070 57.531 56.400 0.102 0.000 0.819 629 E CB -0.743 29.001 29.700 0.072 0.000 0.745 629 E HN 0.329 nan 8.360 nan 0.000 0.477 630 D N -1.031 119.466 120.400 0.162 0.000 2.349 630 D HA 0.002 4.646 4.640 0.006 0.000 0.224 630 D C -0.345 176.081 176.300 0.211 0.000 1.029 630 D CA 0.411 54.517 54.000 0.177 0.000 0.879 630 D CB 0.118 41.079 40.800 0.268 0.000 0.906 630 D HN 0.058 nan 8.370 nan 0.000 0.528 631 F N 0.790 120.758 119.950 0.029 0.000 2.577 631 F HA 0.323 4.853 4.527 0.006 0.000 0.318 631 F C -1.755 174.053 175.800 0.013 0.000 1.065 631 F CA -2.340 55.669 58.000 0.016 0.000 0.929 631 F CB 2.121 41.146 39.000 0.043 0.000 1.237 631 F HN -0.314 nan 8.300 nan 0.000 0.468 632 P HA 0.047 nan 4.420 nan 0.000 0.241 632 P C -0.691 176.260 177.300 -0.582 0.000 1.191 632 P CA 0.726 63.086 63.100 -1.233 0.000 0.771 632 P CB 0.669 31.917 31.700 -0.754 0.000 0.929 633 L N -0.354 120.625 121.223 -0.406 0.000 2.436 633 L HA 0.509 4.852 4.340 0.006 0.000 0.268 633 L C -0.777 175.936 176.870 -0.262 0.000 0.974 633 L CA -1.350 53.201 54.840 -0.481 0.000 0.826 633 L CB 2.145 43.653 42.059 -0.918 0.000 1.291 633 L HN -0.252 nan 8.230 nan 0.000 0.406 634 M N 6.766 126.251 119.600 -0.193 0.000 2.146 634 M HA 0.490 4.974 4.480 0.006 0.000 0.357 634 M C -2.225 174.004 176.300 -0.118 0.000 1.261 634 M CA -1.403 53.843 55.300 -0.091 0.000 1.106 634 M CB 1.147 33.730 32.600 -0.028 0.000 1.612 634 M HN 0.451 nan 8.290 nan 0.000 0.470 635 P HA 0.083 nan 4.420 nan 0.000 0.269 635 P C -1.245 176.000 177.300 -0.093 0.000 1.209 635 P CA -0.151 62.897 63.100 -0.087 0.000 0.776 635 P CB 0.472 32.138 31.700 -0.057 0.000 0.876 636 A N 2.359 125.123 122.820 -0.095 0.000 2.548 636 A HA 0.040 4.363 4.320 0.006 0.000 0.247 636 A C 0.367 177.893 177.584 -0.096 0.000 1.067 636 A CA 0.272 52.250 52.037 -0.098 0.000 0.757 636 A CB -0.555 18.400 19.000 -0.075 0.000 0.996 636 A HN 0.585 nan 8.150 nan 0.000 0.504 637 E N 3.683 123.811 120.200 -0.120 0.000 2.151 637 E HA 0.458 4.812 4.350 0.006 0.000 0.275 637 E C -2.578 173.963 176.600 -0.097 0.000 0.936 637 E CA -2.234 54.093 56.400 -0.121 0.000 0.777 637 E CB 1.560 31.151 29.700 -0.181 0.000 1.108 637 E HN 0.506 nan 8.360 nan 0.000 0.401 638 P HA 0.348 nan 4.420 nan 0.000 0.286 638 P C -0.754 176.522 177.300 -0.040 0.000 1.261 638 P CA -0.277 62.788 63.100 -0.058 0.000 0.821 638 P CB 1.271 32.935 31.700 -0.059 0.000 1.013 639 I N 0.653 121.201 120.570 -0.036 0.000 2.686 639 I HA 0.541 4.715 4.170 0.006 0.000 0.295 639 I C -0.011 176.073 176.117 -0.056 0.000 1.114 639 I CA -0.519 60.780 61.300 -0.002 0.000 1.038 639 I CB 2.631 40.666 38.000 0.058 0.000 1.238 639 I HN 0.261 nan 8.210 nan 0.000 0.420 640 T N 5.625 120.136 114.554 -0.073 0.000 2.894 640 T HA 0.819 5.173 4.350 0.006 0.000 0.309 640 T C -1.762 172.812 174.700 -0.211 0.000 1.208 640 T CA -0.476 61.528 62.100 -0.160 0.000 1.016 640 T CB 1.547 70.340 68.868 -0.124 0.000 1.192 640 T HN 0.531 nan 8.240 nan 0.000 0.491 641 L N 1.175 122.221 121.223 -0.296 0.000 2.469 641 L HA 0.922 5.265 4.340 0.006 0.000 0.256 641 L C -1.140 175.602 176.870 -0.214 0.000 1.006 641 L CA -1.003 53.678 54.840 -0.265 0.000 0.832 641 L CB 2.179 43.993 42.059 -0.408 0.000 1.421 641 L HN 0.793 nan 8.230 nan 0.000 0.410 642 M N 2.193 121.711 119.600 -0.138 0.000 2.501 642 M HA 0.684 5.167 4.480 0.006 0.000 0.293 642 M C -2.102 174.171 176.300 -0.044 0.000 1.192 642 M CA -0.577 54.668 55.300 -0.091 0.000 0.886 642 M CB 2.342 34.910 32.600 -0.053 0.000 1.710 642 M HN 0.737 nan 8.290 nan 0.000 0.457 643 L N 4.634 125.864 121.223 0.012 0.000 2.294 643 L HA 0.578 4.921 4.340 0.006 0.000 0.283 643 L C -0.773 176.226 176.870 0.215 0.000 1.015 643 L CA -0.485 54.446 54.840 0.151 0.000 0.831 643 L CB 1.430 43.633 42.059 0.240 0.000 1.217 643 L HN 0.691 nan 8.230 nan 0.000 0.420 644 R N 4.215 124.738 120.500 0.037 0.000 2.514 644 R HA 0.485 4.829 4.340 0.006 0.000 0.301 644 R C -2.607 173.345 176.300 -0.580 0.000 0.962 644 R CA -1.975 54.028 56.100 -0.162 0.000 0.882 644 R CB 1.574 31.819 30.300 -0.090 0.000 1.143 644 R HN 0.253 nan 8.270 nan 0.000 0.452 645 P HA 0.125 nan 4.420 nan 0.000 0.276 645 P C -0.932 176.154 177.300 -0.357 0.000 1.235 645 P CA -0.241 62.243 63.100 -1.027 0.000 0.772 645 P CB 0.850 32.145 31.700 -0.675 0.000 0.871 646 R N 3.023 123.391 120.500 -0.220 0.000 2.514 646 R HA 0.271 4.614 4.340 0.006 0.000 0.296 646 R C 0.574 176.864 176.300 -0.017 0.000 1.012 646 R CA -0.654 55.359 56.100 -0.145 0.000 0.897 646 R CB 0.332 30.595 30.300 -0.061 0.000 1.184 646 R HN 0.666 nan 8.270 nan 0.000 0.440 647 H N 0.961 120.046 119.070 0.024 0.000 3.211 647 H HA -0.234 4.326 4.556 0.006 0.000 0.240 647 H C 0.796 176.118 175.328 -0.009 0.000 1.148 647 H CA 1.288 57.344 56.048 0.014 0.000 1.160 647 H CB -1.224 28.535 29.762 -0.004 0.000 1.232 647 H HN 0.556 nan 8.280 nan 0.000 0.321 648 F N 0.640 120.505 119.950 -0.142 0.000 2.118 648 F HA 0.111 4.642 4.527 0.006 0.000 0.293 648 F C 1.063 176.588 175.800 -0.459 0.000 1.102 648 F CA 0.826 58.620 58.000 -0.343 0.000 1.247 648 F CB 0.177 38.845 39.000 -0.554 0.000 1.017 648 F HN -0.060 nan 8.300 nan 0.000 0.475 649 F N -0.253 119.756 119.950 0.098 0.000 2.408 649 F HA 0.243 4.774 4.527 0.006 0.000 0.325 649 F C 1.689 177.454 175.800 -0.057 0.000 1.082 649 F CA -0.191 57.806 58.000 -0.006 0.000 1.032 649 F CB 0.659 39.663 39.000 0.008 0.000 1.259 649 F HN -0.205 nan 8.300 nan 0.000 0.503 650 T N -3.032 111.587 114.554 0.108 0.000 3.081 650 T HA 0.180 4.533 4.350 0.006 0.000 0.255 650 T C -0.022 174.756 174.700 0.130 0.000 1.113 650 T CA 0.371 62.445 62.100 -0.044 0.000 1.082 650 T CB -0.561 68.055 68.868 -0.420 0.000 0.939 650 T HN 0.735 nan 8.240 nan 0.000 0.506 651 E N 0.220 120.498 120.200 0.130 0.000 2.437 651 E HA 0.309 4.662 4.350 0.006 0.000 0.280 651 E C -1.313 175.282 176.600 -0.009 0.000 1.044 651 E CA -1.240 55.206 56.400 0.077 0.000 0.826 651 E CB 0.153 29.894 29.700 0.069 0.000 1.358 651 E HN -0.105 nan 8.360 nan 0.000 0.459 652 N N 2.033 120.690 118.700 -0.072 0.000 2.332 652 N HA -0.020 4.724 4.740 0.006 0.000 0.274 652 N C -1.381 174.017 175.510 -0.188 0.000 1.351 652 N CA -1.138 51.825 53.050 -0.145 0.000 0.875 652 N CB 0.628 38.991 38.487 -0.207 0.000 1.140 652 N HN 0.378 nan 8.380 nan 0.000 0.489 653 P HA 0.051 nan 4.420 nan 0.000 0.237 653 P C 0.797 178.006 177.300 -0.151 0.000 1.178 653 P CA 0.563 63.410 63.100 -0.423 0.000 0.766 653 P CB 0.061 31.094 31.700 -1.111 0.000 0.876 654 G N -0.264 108.519 108.800 -0.028 0.000 3.141 654 G HA2 0.045 4.008 3.960 0.006 0.000 0.218 654 G HA3 0.045 4.008 3.960 0.006 0.000 0.218 654 G C 1.251 176.300 174.900 0.248 0.000 1.170 654 G CA -0.152 45.037 45.100 0.149 0.000 0.769 654 G HN 0.197 nan 8.290 nan 0.000 0.546 655 L N 1.030 122.307 121.223 0.089 0.000 2.465 655 L HA 0.030 4.373 4.340 0.006 0.000 0.224 655 L C 1.886 178.823 176.870 0.112 0.000 1.145 655 L CA 0.867 55.745 54.840 0.062 0.000 0.834 655 L CB -0.003 42.002 42.059 -0.090 0.000 0.944 655 L HN 0.250 nan 8.230 nan 0.000 0.451 656 D N -0.230 120.236 120.400 0.110 0.000 2.328 656 D HA 0.028 4.672 4.640 0.006 0.000 0.221 656 D C 0.680 177.024 176.300 0.073 0.000 1.072 656 D CA -0.081 53.974 54.000 0.092 0.000 0.850 656 D CB -0.138 40.737 40.800 0.124 0.000 0.922 656 D HN 0.195 nan 8.370 nan 0.000 0.516 657 I N 1.711 122.338 120.570 0.094 0.000 2.556 657 I HA -0.032 4.142 4.170 0.006 0.000 0.284 657 I C 0.850 177.004 176.117 0.062 0.000 1.114 657 I CA -0.371 60.962 61.300 0.055 0.000 1.418 657 I CB 0.643 38.667 38.000 0.040 0.000 1.394 657 I HN -0.196 nan 8.210 nan 0.000 0.552 658 Q N 7.042 126.859 119.800 0.030 0.000 2.274 658 Q HA 0.155 4.499 4.340 0.006 0.000 0.280 658 Q C -2.123 173.894 176.000 0.027 0.000 1.047 658 Q CA -1.341 54.479 55.803 0.028 0.000 0.907 658 Q CB 0.113 28.860 28.738 0.014 0.000 1.171 658 Q HN 0.317 nan 8.270 nan 0.000 0.381 659 P HA 0.061 nan 4.420 nan 0.000 0.272 659 P C 0.241 177.561 177.300 0.033 0.000 1.230 659 P CA -0.044 63.081 63.100 0.040 0.000 0.788 659 P CB 0.700 32.436 31.700 0.059 0.000 0.949 660 S N -0.417 115.309 115.700 0.044 0.000 2.406 660 S HA -0.038 4.436 4.470 0.006 0.000 0.228 660 S C 0.133 174.827 174.600 0.157 0.000 1.020 660 S CA 1.141 59.385 58.200 0.072 0.000 0.965 660 S CB -0.440 62.792 63.200 0.054 0.000 0.798 660 S HN 0.594 nan 8.310 nan 0.000 0.488 661 Y N -0.040 120.267 120.300 0.011 0.000 2.482 661 Y HA 0.571 5.125 4.550 0.006 0.000 0.334 661 Y C -1.521 174.399 175.900 0.033 0.000 1.091 661 Y CA -1.149 56.962 58.100 0.019 0.000 1.027 661 Y CB 1.102 39.571 38.460 0.014 0.000 1.306 661 Y HN -0.032 nan 8.280 nan 0.000 0.446 662 A N 6.937 129.375 122.820 -0.637 0.000 2.437 662 A HA 0.777 5.100 4.320 0.006 0.000 0.293 662 A C -1.824 175.414 177.584 -0.576 0.000 1.038 662 A CA -0.691 51.097 52.037 -0.415 0.000 0.708 662 A CB 1.444 20.345 19.000 -0.165 0.000 1.251 662 A HN 0.617 nan 8.150 nan 0.000 0.409 663 M N 3.108 122.498 119.600 -0.349 0.000 2.213 663 M HA 0.337 4.821 4.480 0.006 0.000 0.286 663 M C 0.205 176.471 176.300 -0.057 0.000 1.008 663 M CA -0.173 55.016 55.300 -0.186 0.000 0.937 663 M CB 2.053 34.614 32.600 -0.065 0.000 1.600 663 M HN 0.997 nan 8.290 nan 0.000 0.450 664 T N -0.289 114.236 114.554 -0.048 0.000 2.816 664 T HA 0.319 4.672 4.350 0.006 0.000 0.282 664 T C 1.116 175.809 174.700 -0.012 0.000 0.993 664 T CA -0.331 61.756 62.100 -0.021 0.000 0.994 664 T CB 0.796 69.649 68.868 -0.025 0.000 1.025 664 T HN 0.649 nan 8.240 nan 0.000 0.529 665 T N 1.378 115.924 114.554 -0.012 0.000 2.746 665 T HA -0.144 4.209 4.350 0.006 0.000 0.267 665 T C 2.383 177.073 174.700 -0.018 0.000 1.039 665 T CA 1.938 64.027 62.100 -0.019 0.000 1.142 665 T CB -0.722 68.129 68.868 -0.029 0.000 0.866 665 T HN 0.872 nan 8.240 nan 0.000 0.444 666 S N 1.661 117.351 115.700 -0.018 0.000 2.368 666 S HA -0.106 4.368 4.470 0.006 0.000 0.224 666 S C 1.887 176.479 174.600 -0.014 0.000 1.029 666 S CA 1.055 59.245 58.200 -0.016 0.000 0.988 666 S CB -0.451 62.739 63.200 -0.017 0.000 0.838 666 S HN 0.577 nan 8.310 nan 0.000 0.462 667 E N 1.917 122.108 120.200 -0.016 0.000 2.051 667 E HA -0.060 4.293 4.350 0.006 0.000 0.192 667 E C 2.444 179.043 176.600 -0.002 0.000 0.991 667 E CA 1.101 57.493 56.400 -0.014 0.000 0.799 667 E CB -0.463 29.220 29.700 -0.028 0.000 0.748 667 E HN 0.713 nan 8.360 nan 0.000 0.449 668 A N 1.382 124.203 122.820 0.002 0.000 1.972 668 A HA -0.217 4.107 4.320 0.006 0.000 0.219 668 A C 1.915 179.502 177.584 0.005 0.000 1.169 668 A CA 1.372 53.417 52.037 0.014 0.000 0.635 668 A CB -0.229 18.782 19.000 0.018 0.000 0.810 668 A HN 0.048 nan 8.150 nan 0.000 0.446 669 K N -0.783 119.615 120.400 -0.004 0.000 2.031 669 K HA -0.037 4.286 4.320 0.006 0.000 0.205 669 K C 2.251 178.849 176.600 -0.003 0.000 1.049 669 K CA 1.093 57.375 56.287 -0.007 0.000 0.939 669 K CB -0.175 32.318 32.500 -0.012 0.000 0.717 669 K HN 0.323 nan 8.250 nan 0.000 0.438 670 R N 0.420 120.918 120.500 -0.003 0.000 2.159 670 R HA -0.057 4.287 4.340 0.006 0.000 0.237 670 R C 1.188 177.490 176.300 0.003 0.000 1.131 670 R CA 0.941 57.041 56.100 -0.001 0.000 0.982 670 R CB -0.104 30.194 30.300 -0.004 0.000 0.868 670 R HN 0.087 nan 8.270 nan 0.000 0.453 671 A N 1.452 124.276 122.820 0.008 0.000 2.840 671 A HA 0.189 4.512 4.320 0.006 0.000 0.269 671 A C 0.556 178.147 177.584 0.011 0.000 1.439 671 A CA -0.125 51.920 52.037 0.014 0.000 1.083 671 A CB -0.440 18.575 19.000 0.025 0.000 1.019 671 A HN 0.144 nan 8.150 nan 0.000 0.607 672 V N 0.000 119.918 119.914 0.006 0.000 2.409 672 V HA 0.000 4.124 4.120 0.006 0.000 0.244 672 V CA 0.000 62.302 62.300 0.003 0.000 1.235 672 V CB 0.000 31.825 31.823 0.003 0.000 1.184 672 V HN 0.000 nan 8.190 nan 0.000 0.556