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 2jj1_1_I DATA FIRST_RESID 23 DATA SEQUENCE VDLEETGRVL SIGDGIARVH GLRNVQAEEM VEFSSGLKGM SLNLEPDNVG DATA SEQUENCE VVVFGNDKLI KEGDIVKRTG AIVDVPVGEE LLGRVVDALG NAIDGKGPIG DATA SEQUENCE SKARRRVGLK APGIIPRISV REPMQTGIKA VDSLVPIGRG QRELIIGDRQ DATA SEQUENCE TGKTSIAIDT IINQKRFNDG TDEKKKLYCI YVAIGQKRST VAQLVKRLTD DATA SEQUENCE ADAMKYTIVV SATASDAAPL QYLAPYSGCS MGEYFRDNGK HALIIYDDLS DATA SEQUENCE KQAVAYRQMS LLLRRPPGRE AYPGDVFYLH SRLLERAAKM NDAFGGGSLT DATA SEQUENCE ALPVIETQAG DVSAYIPTNV ISITDGQIFL ETELFYKGIR PAINVGLSVS DATA SEQUENCE RVGSAAQTRA MKQVAGTMKL ELAQYREVAX XXXXXXXLDA ATQQLLSRGV DATA SEQUENCE RLTELLKQGQ YSPMAIEEQV AVIYAGVRGY LDKLEPSKIT KFENAFLSHV DATA SEQUENCE ISQHQALLSK IRTDGKISEE SDAKLKEIVT NFLAGFE 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 23 V HA 0.000 nan 4.120 nan 0.000 0.244 23 V C 0.000 176.100 176.094 0.010 0.000 1.182 23 V CA 0.000 62.309 62.300 0.015 0.000 1.235 23 V CB 0.000 31.829 31.823 0.010 0.000 1.184 24 D N 1.436 121.836 120.400 0.001 0.000 2.352 24 D HA 0.444 5.084 4.640 0.000 0.000 0.245 24 D C 0.676 176.963 176.300 -0.021 0.000 1.224 24 D CA -0.005 53.989 54.000 -0.009 0.000 0.879 24 D CB 0.894 41.687 40.800 -0.011 0.000 1.057 24 D HN 0.517 nan 8.370 nan 0.000 0.491 25 L N 2.991 124.196 121.223 -0.031 0.000 2.629 25 L HA 0.185 4.525 4.340 0.000 0.000 0.230 25 L C 1.592 178.415 176.870 -0.078 0.000 1.151 25 L CA 0.083 54.881 54.840 -0.070 0.000 0.924 25 L CB 0.083 42.083 42.059 -0.098 0.000 1.137 25 L HN 0.405 nan 8.230 nan 0.000 0.457 26 E N -0.016 120.154 120.200 -0.051 0.000 2.127 26 E HA -0.038 4.312 4.350 0.000 0.000 0.191 26 E C 1.162 177.735 176.600 -0.045 0.000 0.964 26 E CA 0.459 56.831 56.400 -0.046 0.000 0.832 26 E CB 0.436 30.118 29.700 -0.031 0.000 0.790 26 E HN 0.308 nan 8.360 nan 0.000 0.465 27 E N 0.138 120.313 120.200 -0.041 0.000 2.498 27 E HA 0.160 4.511 4.350 0.000 0.000 0.203 27 E C -0.083 176.487 176.600 -0.050 0.000 1.013 27 E CA 0.271 56.646 56.400 -0.041 0.000 0.927 27 E CB 1.393 31.075 29.700 -0.030 0.000 1.012 27 E HN -0.050 nan 8.360 nan 0.000 0.482 28 T N -0.313 114.208 114.554 -0.055 0.000 2.903 28 T HA 0.696 5.046 4.350 0.000 0.000 0.299 28 T C -0.416 174.242 174.700 -0.070 0.000 1.093 28 T CA -0.539 61.527 62.100 -0.056 0.000 1.002 28 T CB 2.305 71.153 68.868 -0.033 0.000 1.127 28 T HN 0.135 nan 8.240 nan 0.000 0.488 29 G N 1.139 109.901 108.800 -0.064 0.000 2.695 29 G HA2 0.754 4.714 3.960 0.000 0.000 0.290 29 G HA3 0.754 4.714 3.960 0.000 0.000 0.290 29 G C -1.691 173.210 174.900 0.002 0.000 1.410 29 G CA -1.052 44.015 45.100 -0.055 0.000 0.844 29 G HN 0.808 nan 8.290 nan 0.000 0.478 30 R N -1.228 119.308 120.500 0.060 0.000 2.854 30 R HA 0.746 5.086 4.340 0.000 0.000 0.271 30 R C -1.180 175.187 176.300 0.112 0.000 0.994 30 R CA -0.889 55.266 56.100 0.090 0.000 0.945 30 R CB 1.891 32.253 30.300 0.105 0.000 1.194 30 R HN 0.295 nan 8.270 nan 0.000 0.476 31 V N 3.865 123.848 119.914 0.115 0.000 2.427 31 V HA 0.057 4.177 4.120 0.000 0.000 0.268 31 V C 1.204 177.350 176.094 0.086 0.000 1.046 31 V CA -0.131 62.241 62.300 0.120 0.000 0.970 31 V CB 0.598 32.505 31.823 0.140 0.000 1.001 31 V HN 0.699 nan 8.190 nan 0.000 0.476 32 L N 3.933 125.206 121.223 0.084 0.000 2.068 32 L HA 0.068 4.408 4.340 0.000 0.000 0.204 32 L C 1.013 177.903 176.870 0.034 0.000 1.076 32 L CA 1.239 56.111 54.840 0.053 0.000 0.753 32 L CB -0.025 42.069 42.059 0.058 0.000 0.910 32 L HN 0.825 nan 8.230 nan 0.000 0.439 33 S N -1.441 114.281 115.700 0.037 0.000 2.537 33 S HA 0.636 5.106 4.470 0.000 0.000 0.271 33 S C -1.122 173.486 174.600 0.013 0.000 1.148 33 S CA -0.797 57.413 58.200 0.018 0.000 0.868 33 S CB 2.571 65.777 63.200 0.009 0.000 1.115 33 S HN -0.011 nan 8.310 nan 0.000 0.461 34 I N 0.923 121.490 120.570 -0.005 0.000 2.827 34 I HA 0.861 5.032 4.170 0.000 0.000 0.298 34 I C 0.442 176.539 176.117 -0.033 0.000 1.235 34 I CA 0.673 61.958 61.300 -0.025 0.000 1.021 34 I CB 1.729 39.704 38.000 -0.042 0.000 1.259 34 I HN 1.375 nan 8.210 nan 0.000 0.427 35 G N 4.318 113.092 108.800 -0.044 0.000 3.254 35 G HA2 -0.108 3.852 3.960 0.000 0.000 0.219 35 G HA3 -0.108 3.852 3.960 0.000 0.000 0.219 35 G C 0.196 175.070 174.900 -0.044 0.000 0.964 35 G CA -0.038 45.036 45.100 -0.043 0.000 0.823 35 G HN 0.525 nan 8.290 nan 0.000 0.579 36 D N 1.356 121.729 120.400 -0.046 0.000 2.460 36 D HA 0.358 4.998 4.640 0.000 0.000 0.229 36 D C 1.811 178.072 176.300 -0.064 0.000 1.170 36 D CA 0.887 54.857 54.000 -0.051 0.000 0.827 36 D CB -0.038 40.733 40.800 -0.048 0.000 0.973 36 D HN 0.906 nan 8.370 nan 0.000 0.496 37 G N 1.040 109.799 108.800 -0.069 0.000 2.196 37 G HA2 -0.274 3.686 3.960 0.000 0.000 0.268 37 G HA3 -0.274 3.686 3.960 0.000 0.000 0.268 37 G C 0.370 175.213 174.900 -0.095 0.000 0.975 37 G CA 0.028 45.077 45.100 -0.086 0.000 0.648 37 G HN 0.335 nan 8.290 nan 0.000 0.538 38 I N 0.708 121.233 120.570 -0.074 0.000 2.406 38 I HA 0.690 4.860 4.170 0.000 0.000 0.290 38 I C 0.436 176.535 176.117 -0.030 0.000 0.999 38 I CA -1.318 59.949 61.300 -0.056 0.000 1.124 38 I CB 1.281 39.251 38.000 -0.052 0.000 1.289 38 I HN 0.281 nan 8.210 nan 0.000 0.441 39 A N 7.429 130.251 122.820 0.003 0.000 2.260 39 A HA 0.667 4.987 4.320 0.000 0.000 0.314 39 A C -0.005 177.621 177.584 0.069 0.000 1.257 39 A CA -0.722 51.342 52.037 0.045 0.000 0.871 39 A CB 0.603 19.666 19.000 0.105 0.000 1.166 39 A HN 0.552 nan 8.150 nan 0.000 0.522 40 R N 1.737 122.270 120.500 0.054 0.000 2.267 40 R HA 0.412 4.753 4.340 0.000 0.000 0.319 40 R C -0.949 175.399 176.300 0.080 0.000 1.067 40 R CA -0.289 55.844 56.100 0.055 0.000 0.936 40 R CB 0.812 31.135 30.300 0.039 0.000 1.006 40 R HN 0.407 nan 8.270 nan 0.000 0.452 41 V N 3.845 123.805 119.914 0.077 0.000 2.407 41 V HA 0.129 4.249 4.120 0.000 0.000 0.291 41 V C -0.042 176.097 176.094 0.075 0.000 1.018 41 V CA -1.022 61.327 62.300 0.081 0.000 0.842 41 V CB 1.277 33.131 31.823 0.052 0.000 0.996 41 V HN 0.723 nan 8.190 nan 0.000 0.426 42 H N 3.791 122.870 119.070 0.015 0.000 2.652 42 H HA 0.620 5.176 4.556 0.000 0.000 0.349 42 H C 0.622 175.951 175.328 0.001 0.000 1.099 42 H CA 1.575 57.628 56.048 0.008 0.000 1.417 42 H CB 0.984 30.751 29.762 0.009 0.000 1.457 42 H HN 1.117 nan 8.280 nan 0.000 0.568 43 G N 2.991 111.335 108.800 -0.761 0.000 2.481 43 G HA2 -0.208 3.752 3.960 0.000 0.000 0.230 43 G HA3 -0.208 3.752 3.960 0.000 0.000 0.230 43 G C -0.164 174.598 174.900 -0.230 0.000 1.210 43 G CA -0.429 44.356 45.100 -0.524 0.000 0.936 43 G HN 1.273 nan 8.290 nan 0.000 0.583 44 L N -0.453 120.676 121.223 -0.157 0.000 3.660 44 L HA -0.207 4.133 4.340 0.000 0.000 0.440 44 L C 2.181 179.000 176.870 -0.085 0.000 1.262 44 L CA 0.711 55.489 54.840 -0.103 0.000 0.837 44 L CB -0.758 41.246 42.059 -0.091 0.000 1.689 44 L HN 0.656 nan 8.230 nan 0.000 0.890 45 R N 0.096 120.544 120.500 -0.087 0.000 2.152 45 R HA -0.030 4.310 4.340 0.000 0.000 0.232 45 R C 1.375 177.649 176.300 -0.043 0.000 1.117 45 R CA 1.156 57.217 56.100 -0.065 0.000 0.981 45 R CB -0.311 29.952 30.300 -0.061 0.000 0.870 45 R HN 0.554 nan 8.270 nan 0.000 0.451 46 N N 0.663 119.339 118.700 -0.040 0.000 2.235 46 N HA 0.019 4.759 4.740 0.000 0.000 0.209 46 N C 0.080 175.574 175.510 -0.026 0.000 1.122 46 N CA 0.011 53.044 53.050 -0.029 0.000 0.845 46 N CB 0.530 39.002 38.487 -0.025 0.000 1.004 46 N HN -0.002 nan 8.380 nan 0.000 0.499 47 V N -0.488 119.407 119.914 -0.032 0.000 3.139 47 V HA 0.090 4.210 4.120 0.000 0.000 0.307 47 V C 0.480 176.565 176.094 -0.014 0.000 1.095 47 V CA -0.499 61.785 62.300 -0.026 0.000 1.160 47 V CB 0.451 32.255 31.823 -0.032 0.000 1.003 47 V HN 0.064 nan 8.190 nan 0.000 0.489 48 Q N 1.503 121.299 119.800 -0.007 0.000 2.215 48 Q HA 0.706 5.046 4.340 0.000 0.000 0.256 48 Q C 0.087 176.092 176.000 0.009 0.000 0.972 48 Q CA -0.581 55.223 55.803 0.001 0.000 0.889 48 Q CB 1.657 30.397 28.738 0.004 0.000 1.281 48 Q HN 1.124 nan 8.270 nan 0.000 0.456 49 A N 1.390 124.219 122.820 0.014 0.000 2.540 49 A HA 0.015 4.335 4.320 0.000 0.000 0.239 49 A C 0.147 177.749 177.584 0.030 0.000 1.061 49 A CA 0.412 52.463 52.037 0.023 0.000 0.758 49 A CB -0.284 18.731 19.000 0.024 0.000 0.991 49 A HN 0.964 nan 8.150 nan 0.000 0.502 50 E N -0.838 119.388 120.200 0.044 0.000 3.286 50 E HA -0.214 4.137 4.350 0.000 0.000 0.292 50 E C 0.197 176.836 176.600 0.065 0.000 0.928 50 E CA 1.317 57.753 56.400 0.061 0.000 0.982 50 E CB -1.181 28.548 29.700 0.048 0.000 1.500 50 E HN 0.908 nan 8.360 nan 0.000 0.441 51 E N 0.543 120.773 120.200 0.050 0.000 2.313 51 E HA 0.300 4.650 4.350 0.000 0.000 0.272 51 E C -0.100 176.539 176.600 0.065 0.000 1.038 51 E CA -0.571 55.854 56.400 0.042 0.000 0.863 51 E CB 0.751 30.461 29.700 0.017 0.000 1.060 51 E HN 0.038 nan 8.360 nan 0.000 0.402 52 M N 4.641 124.281 119.600 0.067 0.000 2.219 52 M HA 0.104 4.584 4.480 0.000 0.000 0.353 52 M C -0.880 175.438 176.300 0.029 0.000 1.304 52 M CA -0.113 55.241 55.300 0.091 0.000 1.115 52 M CB 0.802 33.447 32.600 0.075 0.000 1.664 52 M HN 0.371 nan 8.290 nan 0.000 0.459 53 V N 1.620 121.536 119.914 0.003 0.000 3.193 53 V HA 0.725 4.845 4.120 0.000 0.000 0.320 53 V C -0.746 175.263 176.094 -0.140 0.000 1.112 53 V CA -0.900 61.327 62.300 -0.122 0.000 1.026 53 V CB 1.790 33.459 31.823 -0.256 0.000 1.128 53 V HN 0.848 nan 8.190 nan 0.000 0.452 54 E N 0.095 120.155 120.200 -0.233 0.000 2.283 54 E HA 0.508 4.858 4.350 0.000 0.000 0.258 54 E C -1.660 174.838 176.600 -0.170 0.000 0.893 54 E CA -0.569 55.767 56.400 -0.106 0.000 0.798 54 E CB 1.279 30.963 29.700 -0.027 0.000 1.242 54 E HN 0.575 nan 8.360 nan 0.000 0.414 55 F N 1.508 121.481 119.950 0.038 0.000 2.406 55 F HA 0.077 4.605 4.527 0.000 0.000 0.327 55 F C 2.066 177.881 175.800 0.026 0.000 1.153 55 F CA 0.113 58.131 58.000 0.029 0.000 1.218 55 F CB 1.143 40.160 39.000 0.029 0.000 1.215 55 F HN 0.566 nan 8.300 nan 0.000 0.570 56 S N -0.997 114.827 115.700 0.207 0.000 2.469 56 S HA -0.152 4.318 4.470 0.000 0.000 0.238 56 S C 1.328 175.992 174.600 0.108 0.000 0.998 56 S CA 1.035 59.305 58.200 0.118 0.000 0.957 56 S CB -0.832 62.423 63.200 0.092 0.000 0.764 56 S HN 0.610 nan 8.310 nan 0.000 0.514 57 S N -0.221 115.561 115.700 0.136 0.000 2.605 57 S HA 0.570 5.040 4.470 0.000 0.000 0.217 57 S C 1.542 176.197 174.600 0.091 0.000 0.958 57 S CA 0.118 58.372 58.200 0.090 0.000 0.919 57 S CB -0.093 63.143 63.200 0.059 0.000 0.780 57 S HN 1.195 nan 8.310 nan 0.000 0.507 58 G N 1.142 110.012 108.800 0.118 0.000 2.258 58 G HA2 -0.228 3.732 3.960 0.000 0.000 0.233 58 G HA3 -0.228 3.732 3.960 0.000 0.000 0.233 58 G C 0.020 175.004 174.900 0.140 0.000 1.006 58 G CA -0.086 45.077 45.100 0.105 0.000 0.620 58 G HN 0.479 nan 8.290 nan 0.000 0.511 59 L N 1.303 122.632 121.223 0.177 0.000 2.461 59 L HA 0.314 4.654 4.340 0.000 0.000 0.272 59 L C 0.621 177.720 176.870 0.381 0.000 1.197 59 L CA -0.024 54.946 54.840 0.216 0.000 0.836 59 L CB 0.512 42.627 42.059 0.094 0.000 1.105 59 L HN 0.058 nan 8.230 nan 0.000 0.477 60 K N 1.910 122.518 120.400 0.345 0.000 2.123 60 K HA 0.701 5.021 4.320 0.000 0.000 0.248 60 K C -0.024 176.902 176.600 0.543 0.000 0.969 60 K CA -0.468 56.045 56.287 0.377 0.000 0.882 60 K CB 1.910 34.576 32.500 0.277 0.000 1.080 60 K HN 0.750 nan 8.250 nan 0.000 0.441 61 G N 0.159 109.249 108.800 0.483 0.000 2.708 61 G HA2 0.630 4.590 3.960 0.000 0.000 0.289 61 G HA3 0.630 4.590 3.960 0.000 0.000 0.289 61 G C -1.565 173.522 174.900 0.311 0.000 1.416 61 G CA -0.677 44.675 45.100 0.420 0.000 0.829 61 G HN 0.447 nan 8.290 nan 0.000 0.480 62 M N 1.012 120.703 119.600 0.152 0.000 2.326 62 M HA 0.488 4.968 4.480 0.000 0.000 0.306 62 M C -0.510 175.835 176.300 0.075 0.000 1.054 62 M CA -0.567 54.841 55.300 0.179 0.000 0.922 62 M CB 1.845 34.614 32.600 0.282 0.000 1.632 62 M HN 0.398 nan 8.290 nan 0.000 0.436 63 S N 4.637 120.375 115.700 0.064 0.000 2.481 63 S HA 0.120 4.590 4.470 0.000 0.000 0.282 63 S C 0.336 174.960 174.600 0.040 0.000 1.243 63 S CA -0.477 57.744 58.200 0.034 0.000 1.078 63 S CB 0.790 64.002 63.200 0.019 0.000 0.916 63 S HN 0.683 nan 8.310 nan 0.000 0.495 64 L N 4.093 125.332 121.223 0.027 0.000 2.453 64 L HA 0.438 4.778 4.340 0.000 0.000 0.190 64 L C -0.149 176.734 176.870 0.022 0.000 1.093 64 L CA 1.178 56.033 54.840 0.027 0.000 0.834 64 L CB -0.148 41.916 42.059 0.008 0.000 1.090 64 L HN 0.425 nan 8.230 nan 0.000 0.489 65 N N 0.486 119.194 118.700 0.013 0.000 2.501 65 N HA 0.425 5.165 4.740 0.000 0.000 0.245 65 N C -1.278 174.238 175.510 0.010 0.000 0.974 65 N CA -0.010 53.047 53.050 0.012 0.000 0.941 65 N CB 0.865 39.356 38.487 0.007 0.000 1.122 65 N HN 0.086 nan 8.380 nan 0.000 0.507 66 L N 2.231 123.460 121.223 0.010 0.000 2.302 66 L HA 0.307 4.647 4.340 0.000 0.000 0.285 66 L C 0.334 177.208 176.870 0.006 0.000 1.090 66 L CA -0.126 54.717 54.840 0.005 0.000 0.866 66 L CB 0.051 42.113 42.059 0.005 0.000 1.244 66 L HN 0.410 nan 8.230 nan 0.000 0.435 67 E N 3.382 123.586 120.200 0.007 0.000 2.222 67 E HA 0.285 4.635 4.350 0.000 0.000 0.267 67 E C -1.562 175.044 176.600 0.009 0.000 0.963 67 E CA -1.839 54.566 56.400 0.009 0.000 0.837 67 E CB 1.517 31.224 29.700 0.012 0.000 1.183 67 E HN 0.235 nan 8.360 nan 0.000 0.403 68 P HA -0.223 nan 4.420 nan 0.000 0.218 68 P C 0.372 177.685 177.300 0.021 0.000 1.154 68 P CA 1.590 64.698 63.100 0.013 0.000 0.872 68 P CB 0.130 31.839 31.700 0.014 0.000 0.790 69 D N -2.946 117.473 120.400 0.032 0.000 2.503 69 D HA 0.084 4.725 4.640 0.000 0.000 0.218 69 D C -0.004 176.343 176.300 0.079 0.000 1.183 69 D CA -0.431 53.606 54.000 0.061 0.000 0.827 69 D CB -0.794 40.046 40.800 0.067 0.000 1.034 69 D HN 0.346 nan 8.370 nan 0.000 0.510 70 N N -1.596 117.129 118.700 0.041 0.000 3.185 70 N HA 0.366 5.106 4.740 0.000 0.000 0.238 70 N C -2.066 173.453 175.510 0.014 0.000 1.451 70 N CA -0.938 52.135 53.050 0.038 0.000 0.888 70 N CB 1.398 39.918 38.487 0.055 0.000 1.413 70 N HN -0.203 nan 8.380 nan 0.000 0.511 71 V N 0.112 120.033 119.914 0.012 0.000 2.459 71 V HA 0.762 4.882 4.120 0.000 0.000 0.295 71 V C 0.716 176.822 176.094 0.021 0.000 1.029 71 V CA -0.494 61.810 62.300 0.007 0.000 0.874 71 V CB 1.275 33.092 31.823 -0.009 0.000 0.985 71 V HN 0.871 nan 8.190 nan 0.000 0.438 72 G N 3.490 112.299 108.800 0.016 0.000 2.356 72 G HA2 0.492 4.452 3.960 0.000 0.000 0.300 72 G HA3 0.492 4.452 3.960 0.000 0.000 0.300 72 G C -0.692 174.220 174.900 0.019 0.000 1.107 72 G CA -0.162 44.947 45.100 0.015 0.000 0.960 72 G HN 0.538 nan 8.290 nan 0.000 0.418 73 V N 4.252 124.190 119.914 0.041 0.000 2.334 73 V HA 0.166 4.286 4.120 0.000 0.000 0.281 73 V C 0.293 176.397 176.094 0.017 0.000 1.016 73 V CA -0.715 61.625 62.300 0.066 0.000 0.832 73 V CB 1.514 33.446 31.823 0.182 0.000 0.999 73 V HN 0.521 nan 8.190 nan 0.000 0.439 74 V N 6.181 126.050 119.914 -0.075 0.000 2.508 74 V HA 0.170 4.290 4.120 0.000 0.000 0.281 74 V C 0.299 176.187 176.094 -0.343 0.000 1.041 74 V CA -0.124 62.045 62.300 -0.217 0.000 1.016 74 V CB 1.485 33.138 31.823 -0.284 0.000 0.984 74 V HN 0.590 nan 8.190 nan 0.000 0.478 75 V N 6.400 126.141 119.914 -0.288 0.000 2.383 75 V HA 0.299 4.419 4.120 0.000 0.000 0.275 75 V C 0.231 176.187 176.094 -0.230 0.000 1.036 75 V CA -0.184 61.980 62.300 -0.227 0.000 0.889 75 V CB 1.011 32.697 31.823 -0.228 0.000 0.985 75 V HN 0.770 nan 8.190 nan 0.000 0.459 76 F N 4.324 124.332 119.950 0.096 0.000 2.913 76 F HA 0.535 5.062 4.527 0.000 0.000 0.293 76 F C 1.229 177.066 175.800 0.062 0.000 1.223 76 F CA 0.409 58.467 58.000 0.097 0.000 1.393 76 F CB 0.246 39.316 39.000 0.116 0.000 1.102 76 F HN 0.705 nan 8.300 nan 0.000 0.524 77 G N -0.246 108.633 108.800 0.132 0.000 2.348 77 G HA2 0.027 3.987 3.960 0.000 0.000 0.296 77 G HA3 0.027 3.987 3.960 0.000 0.000 0.296 77 G C -1.712 173.191 174.900 0.006 0.000 1.258 77 G CA -0.993 44.153 45.100 0.077 0.000 0.868 77 G HN -0.058 nan 8.290 nan 0.000 0.488 78 N N 1.622 120.318 118.700 -0.006 0.000 2.420 78 N HA 0.161 4.901 4.740 0.000 0.000 0.262 78 N C 0.893 176.358 175.510 -0.076 0.000 1.144 78 N CA 0.115 53.147 53.050 -0.030 0.000 0.952 78 N CB 0.900 39.378 38.487 -0.015 0.000 1.081 78 N HN 0.517 nan 8.380 nan 0.000 0.480 79 D N 2.898 123.241 120.400 -0.096 0.000 2.363 79 D HA -0.134 4.506 4.640 0.000 0.000 0.226 79 D C 1.210 177.449 176.300 -0.103 0.000 1.020 79 D CA 0.152 54.068 54.000 -0.140 0.000 0.892 79 D CB 0.214 40.924 40.800 -0.150 0.000 0.900 79 D HN 0.654 nan 8.370 nan 0.000 0.531 80 K N 1.650 122.010 120.400 -0.068 0.000 2.074 80 K HA -0.184 4.136 4.320 0.000 0.000 0.209 80 K C 2.009 178.577 176.600 -0.053 0.000 1.048 80 K CA 0.975 57.232 56.287 -0.049 0.000 0.926 80 K CB -0.312 32.169 32.500 -0.031 0.000 0.713 80 K HN 0.172 nan 8.250 nan 0.000 0.444 81 L N 1.035 122.220 121.223 -0.064 0.000 2.465 81 L HA 0.078 4.418 4.340 0.000 0.000 0.224 81 L C 0.902 177.726 176.870 -0.075 0.000 1.145 81 L CA 0.227 55.033 54.840 -0.056 0.000 0.834 81 L CB -0.153 41.877 42.059 -0.048 0.000 0.944 81 L HN 0.169 nan 8.230 nan 0.000 0.451 82 I N 0.337 120.833 120.570 -0.125 0.000 2.353 82 I HA 0.178 4.348 4.170 0.000 0.000 0.293 82 I C 0.035 176.115 176.117 -0.061 0.000 0.992 82 I CA -0.109 61.110 61.300 -0.135 0.000 1.268 82 I CB 1.048 38.870 38.000 -0.296 0.000 1.387 82 I HN 0.018 nan 8.210 nan 0.000 0.478 83 K N 4.866 125.258 120.400 -0.015 0.000 2.340 83 K HA 0.354 4.674 4.320 0.000 0.000 0.244 83 K C -0.594 176.022 176.600 0.026 0.000 0.973 83 K CA -0.937 55.351 56.287 0.003 0.000 0.828 83 K CB 2.076 34.581 32.500 0.009 0.000 1.226 83 K HN 0.496 nan 8.250 nan 0.000 0.437 84 E N 0.437 120.650 120.200 0.021 0.000 2.417 84 E HA 0.030 4.380 4.350 0.000 0.000 0.261 84 E C 0.379 177.000 176.600 0.036 0.000 1.000 84 E CA 0.909 57.327 56.400 0.030 0.000 0.919 84 E CB 0.114 29.824 29.700 0.018 0.000 0.955 84 E HN 0.802 nan 8.360 nan 0.000 0.455 85 G N 4.162 112.992 108.800 0.050 0.000 2.195 85 G HA2 -0.195 3.765 3.960 0.000 0.000 0.224 85 G HA3 -0.195 3.765 3.960 0.000 0.000 0.224 85 G C -0.211 174.726 174.900 0.061 0.000 0.990 85 G CA -0.014 45.115 45.100 0.048 0.000 0.639 85 G HN 0.628 nan 8.290 nan 0.000 0.514 86 D N 0.445 120.892 120.400 0.079 0.000 2.382 86 D HA 0.455 5.095 4.640 0.000 0.000 0.245 86 D C 0.915 177.280 176.300 0.108 0.000 1.120 86 D CA 0.103 54.163 54.000 0.100 0.000 0.890 86 D CB 0.966 41.845 40.800 0.132 0.000 1.201 86 D HN 0.322 nan 8.370 nan 0.000 0.433 87 I N 1.580 122.201 120.570 0.085 0.000 2.395 87 I HA 0.127 4.297 4.170 0.000 0.000 0.289 87 I C -0.224 175.905 176.117 0.021 0.000 1.023 87 I CA -0.476 60.853 61.300 0.049 0.000 1.350 87 I CB 1.156 39.175 38.000 0.032 0.000 1.409 87 I HN -0.078 nan 8.210 nan 0.000 0.507 88 V N 6.872 126.756 119.914 -0.050 0.000 2.487 88 V HA 0.398 4.518 4.120 0.000 0.000 0.298 88 V C -0.246 175.757 176.094 -0.152 0.000 1.028 88 V CA -0.882 61.301 62.300 -0.196 0.000 0.860 88 V CB 1.627 33.271 31.823 -0.298 0.000 0.991 88 V HN 0.626 nan 8.190 nan 0.000 0.427 89 K N 3.710 124.016 120.400 -0.156 0.000 2.207 89 K HA 0.626 4.946 4.320 0.000 0.000 0.255 89 K C -0.221 176.314 176.600 -0.110 0.000 0.941 89 K CA -0.884 55.342 56.287 -0.101 0.000 0.825 89 K CB 2.279 34.743 32.500 -0.061 0.000 1.119 89 K HN 0.548 nan 8.250 nan 0.000 0.430 90 R N 0.321 120.773 120.500 -0.079 0.000 2.784 90 R HA -0.017 4.323 4.340 0.000 0.000 0.266 90 R C 1.129 177.403 176.300 -0.043 0.000 1.044 90 R CA 0.547 56.611 56.100 -0.061 0.000 1.151 90 R CB 0.301 30.574 30.300 -0.044 0.000 1.037 90 R HN 0.829 nan 8.270 nan 0.000 0.478 91 T N -2.623 111.913 114.554 -0.030 0.000 2.975 91 T HA 0.192 4.542 4.350 0.000 0.000 0.257 91 T C 1.271 175.965 174.700 -0.011 0.000 1.003 91 T CA 0.357 62.448 62.100 -0.016 0.000 0.932 91 T CB 0.674 69.538 68.868 -0.006 0.000 1.087 91 T HN 0.809 nan 8.240 nan 0.000 0.512 92 G N 1.401 110.194 108.800 -0.012 0.000 2.225 92 G HA2 -0.011 3.949 3.960 0.000 0.000 0.254 92 G HA3 -0.011 3.949 3.960 0.000 0.000 0.254 92 G C 0.244 175.142 174.900 -0.004 0.000 0.988 92 G CA -0.133 44.962 45.100 -0.009 0.000 0.625 92 G HN 1.383 nan 8.290 nan 0.000 0.527 93 A N 0.933 123.752 122.820 -0.000 0.000 2.331 93 A HA 0.746 5.066 4.320 0.000 0.000 0.320 93 A C 0.371 177.960 177.584 0.010 0.000 1.138 93 A CA -0.710 51.329 52.037 0.003 0.000 0.790 93 A CB 0.830 19.830 19.000 -0.000 0.000 1.206 93 A HN 0.563 nan 8.150 nan 0.000 0.470 94 I N 2.411 122.987 120.570 0.010 0.000 2.775 94 I HA -0.026 4.144 4.170 0.000 0.000 0.290 94 I C 0.750 176.874 176.117 0.011 0.000 1.203 94 I CA 0.173 61.482 61.300 0.015 0.000 1.433 94 I CB 0.224 38.230 38.000 0.010 0.000 1.354 94 I HN 0.377 nan 8.210 nan 0.000 0.579 95 V N 7.131 127.060 119.914 0.024 0.000 2.621 95 V HA -0.134 3.986 4.120 0.000 0.000 0.300 95 V C 0.281 176.358 176.094 -0.029 0.000 1.031 95 V CA 0.461 62.761 62.300 0.000 0.000 1.210 95 V CB -0.942 30.889 31.823 0.014 0.000 0.864 95 V HN 0.932 nan 8.190 nan 0.000 0.477 96 D N 4.008 124.385 120.400 -0.038 0.000 2.592 96 D HA 0.759 5.399 4.640 0.000 0.000 0.263 96 D C -0.558 175.712 176.300 -0.050 0.000 1.132 96 D CA -0.667 53.312 54.000 -0.035 0.000 0.996 96 D CB 2.143 42.932 40.800 -0.019 0.000 1.442 96 D HN 0.462 nan 8.370 nan 0.000 0.486 97 V N -4.891 114.999 119.914 -0.039 0.000 3.078 97 V HA 0.753 4.873 4.120 0.000 0.000 0.311 97 V C -2.790 173.283 176.094 -0.035 0.000 1.138 97 V CA -2.269 60.006 62.300 -0.043 0.000 1.007 97 V CB 1.629 33.426 31.823 -0.043 0.000 1.045 97 V HN 0.601 nan 8.190 nan 0.000 0.432 98 P HA 0.372 nan 4.420 nan 0.000 0.270 98 P C -0.712 176.548 177.300 -0.067 0.000 1.227 98 P CA 0.077 63.147 63.100 -0.051 0.000 0.788 98 P CB 1.207 32.877 31.700 -0.050 0.000 0.926 99 V N -0.356 119.490 119.914 -0.113 0.000 3.225 99 V HA 0.726 4.846 4.120 0.000 0.000 0.293 99 V C 0.111 175.957 176.094 -0.414 0.000 1.405 99 V CA 0.445 62.631 62.300 -0.190 0.000 1.038 99 V CB 1.898 33.667 31.823 -0.089 0.000 1.123 99 V HN 1.113 nan 8.190 nan 0.000 0.447 100 G N 2.428 110.722 108.800 -0.844 0.000 2.331 100 G HA2 0.009 3.969 3.960 0.000 0.000 0.402 100 G HA3 0.009 3.969 3.960 0.000 0.000 0.402 100 G C 0.017 174.389 174.900 -0.880 0.000 1.275 100 G CA 0.094 44.363 45.100 -1.385 0.000 1.003 100 G HN 0.647 nan 8.290 nan 0.000 0.500 101 E N 0.522 120.351 120.200 -0.617 0.000 2.274 101 E HA -0.078 4.273 4.350 0.000 0.000 0.194 101 E C 2.019 178.555 176.600 -0.107 0.000 0.996 101 E CA 1.196 57.447 56.400 -0.248 0.000 0.840 101 E CB 0.056 29.679 29.700 -0.129 0.000 0.772 101 E HN 0.653 nan 8.360 nan 0.000 0.491 102 E N 0.944 121.062 120.200 -0.137 0.000 2.418 102 E HA -0.112 4.238 4.350 0.000 0.000 0.197 102 E C 1.863 178.435 176.600 -0.048 0.000 1.026 102 E CA 0.397 56.755 56.400 -0.071 0.000 0.862 102 E CB -0.267 29.390 29.700 -0.073 0.000 0.799 102 E HN 0.324 nan 8.360 nan 0.000 0.518 103 L N 0.748 121.936 121.223 -0.058 0.000 2.554 103 L HA 0.122 4.462 4.340 0.000 0.000 0.226 103 L C 1.051 177.938 176.870 0.028 0.000 1.137 103 L CA -0.040 54.789 54.840 -0.018 0.000 0.863 103 L CB -0.108 41.936 42.059 -0.025 0.000 0.985 103 L HN 0.021 nan 8.230 nan 0.000 0.451 104 L N -0.142 121.115 121.223 0.055 0.000 2.456 104 L HA 0.181 4.521 4.340 0.000 0.000 0.272 104 L C 1.452 178.351 176.870 0.049 0.000 1.189 104 L CA 0.533 55.430 54.840 0.095 0.000 0.846 104 L CB 0.305 42.463 42.059 0.165 0.000 1.111 104 L HN 0.289 nan 8.230 nan 0.000 0.475 105 G N 1.368 110.184 108.800 0.026 0.000 2.168 105 G HA2 -0.226 3.734 3.960 0.000 0.000 0.263 105 G HA3 -0.226 3.734 3.960 0.000 0.000 0.263 105 G C 0.250 175.143 174.900 -0.012 0.000 0.977 105 G CA -0.163 44.930 45.100 -0.012 0.000 0.659 105 G HN 0.458 nan 8.290 nan 0.000 0.533 106 R N -0.653 119.848 120.500 0.001 0.000 2.732 106 R HA 0.724 5.064 4.340 0.000 0.000 0.278 106 R C -0.197 176.106 176.300 0.004 0.000 0.976 106 R CA -0.862 55.238 56.100 -0.000 0.000 0.963 106 R CB 1.778 32.078 30.300 0.000 0.000 1.150 106 R HN 0.215 nan 8.270 nan 0.000 0.478 107 V N 2.344 122.260 119.914 0.004 0.000 2.417 107 V HA 0.558 4.678 4.120 0.000 0.000 0.291 107 V C 0.131 176.233 176.094 0.012 0.000 1.024 107 V CA -0.793 61.514 62.300 0.012 0.000 0.861 107 V CB 1.616 33.445 31.823 0.009 0.000 0.985 107 V HN 0.607 nan 8.190 nan 0.000 0.436 108 V N 0.819 120.743 119.914 0.016 0.000 3.102 108 V HA 0.806 4.926 4.120 0.000 0.000 0.312 108 V C -0.552 175.552 176.094 0.016 0.000 1.135 108 V CA -0.922 61.385 62.300 0.011 0.000 1.022 108 V CB 2.127 33.952 31.823 0.003 0.000 1.056 108 V HN 0.813 nan 8.190 nan 0.000 0.436 109 D N 1.963 122.371 120.400 0.013 0.000 2.414 109 D HA 0.462 5.102 4.640 0.000 0.000 0.259 109 D C 1.255 177.558 176.300 0.005 0.000 1.269 109 D CA 0.150 54.160 54.000 0.018 0.000 1.028 109 D CB 0.992 41.807 40.800 0.024 0.000 1.093 109 D HN 0.899 nan 8.370 nan 0.000 0.545 110 A N -0.557 122.267 122.820 0.008 0.000 2.070 110 A HA -0.070 4.250 4.320 0.000 0.000 0.220 110 A C 2.236 179.780 177.584 -0.066 0.000 1.159 110 A CA 0.931 52.959 52.037 -0.015 0.000 0.656 110 A CB -0.799 18.208 19.000 0.012 0.000 0.800 110 A HN 0.559 nan 8.150 nan 0.000 0.453 111 L N -2.247 118.936 121.223 -0.066 0.000 2.509 111 L HA 0.204 4.544 4.340 0.000 0.000 0.222 111 L C 1.863 178.694 176.870 -0.065 0.000 1.123 111 L CA 0.659 55.437 54.840 -0.103 0.000 0.856 111 L CB 0.114 42.124 42.059 -0.081 0.000 0.985 111 L HN 0.585 nan 8.230 nan 0.000 0.456 112 G N -0.814 107.963 108.800 -0.039 0.000 2.284 112 G HA2 -0.239 3.721 3.960 0.000 0.000 0.216 112 G HA3 -0.239 3.721 3.960 0.000 0.000 0.216 112 G C 0.256 175.145 174.900 -0.017 0.000 1.009 112 G CA -0.474 44.609 45.100 -0.028 0.000 0.625 112 G HN 0.280 nan 8.290 nan 0.000 0.501 113 N N 2.105 120.798 118.700 -0.012 0.000 2.412 113 N HA 0.418 5.158 4.740 0.000 0.000 0.258 113 N C 0.731 176.242 175.510 0.001 0.000 1.236 113 N CA 0.912 53.960 53.050 -0.003 0.000 0.882 113 N CB 1.069 39.560 38.487 0.006 0.000 1.066 113 N HN 0.860 nan 8.380 nan 0.000 0.465 114 A N 2.693 125.513 122.820 -0.001 0.000 2.520 114 A HA 0.174 4.494 4.320 0.000 0.000 0.245 114 A C 1.386 178.974 177.584 0.005 0.000 1.072 114 A CA -0.114 51.924 52.037 0.001 0.000 0.761 114 A CB -0.352 18.647 19.000 -0.002 0.000 1.004 114 A HN 0.809 nan 8.150 nan 0.000 0.499 115 I N -0.777 119.798 120.570 0.007 0.000 4.147 115 I HA 0.239 4.409 4.170 0.000 0.000 0.329 115 I C 0.347 176.468 176.117 0.007 0.000 1.424 115 I CA 0.033 61.339 61.300 0.010 0.000 1.127 115 I CB 0.442 38.452 38.000 0.016 0.000 1.128 115 I HN 0.465 nan 8.210 nan 0.000 0.417 116 D N 1.277 121.679 120.400 0.003 0.000 2.328 116 D HA 0.137 4.777 4.640 0.000 0.000 0.221 116 D C 1.637 177.935 176.300 -0.002 0.000 1.072 116 D CA 0.416 54.415 54.000 -0.001 0.000 0.850 116 D CB 0.069 40.866 40.800 -0.005 0.000 0.922 116 D HN 0.422 nan 8.370 nan 0.000 0.516 117 G N 1.057 109.857 108.800 -0.000 0.000 2.168 117 G HA2 -0.385 3.575 3.960 0.000 0.000 0.257 117 G HA3 -0.385 3.575 3.960 0.000 0.000 0.257 117 G C 0.691 175.590 174.900 -0.003 0.000 0.997 117 G CA 0.492 45.592 45.100 -0.000 0.000 0.708 117 G HN 0.474 nan 8.290 nan 0.000 0.520 118 K N 0.416 120.813 120.400 -0.004 0.000 2.520 118 K HA 0.458 4.778 4.320 0.000 0.000 0.205 118 K C 1.424 178.021 176.600 -0.005 0.000 1.035 118 K CA 0.332 56.616 56.287 -0.005 0.000 1.188 118 K CB 0.117 32.613 32.500 -0.007 0.000 0.894 118 K HN 1.368 nan 8.250 nan 0.000 0.497 119 G N 2.242 111.040 108.800 -0.003 0.000 2.828 119 G HA2 -0.206 3.754 3.960 0.000 0.000 0.463 119 G HA3 -0.206 3.754 3.960 0.000 0.000 0.463 119 G C -2.636 172.261 174.900 -0.005 0.000 1.394 119 G CA -1.314 43.784 45.100 -0.003 0.000 0.862 119 G HN 0.049 nan 8.290 nan 0.000 0.540 120 P HA 0.323 nan 4.420 nan 0.000 0.268 120 P C 0.543 177.836 177.300 -0.012 0.000 1.208 120 P CA -0.381 62.714 63.100 -0.008 0.000 0.777 120 P CB 0.311 32.006 31.700 -0.008 0.000 0.875 121 I N 1.489 122.049 120.570 -0.016 0.000 2.496 121 I HA 0.102 4.272 4.170 0.000 0.000 0.285 121 I C 1.601 177.701 176.117 -0.028 0.000 1.080 121 I CA 0.173 61.459 61.300 -0.024 0.000 1.404 121 I CB 0.040 38.022 38.000 -0.030 0.000 1.403 121 I HN 0.487 nan 8.210 nan 0.000 0.539 122 G N 4.290 113.072 108.800 -0.031 0.000 3.530 122 G HA2 0.047 4.008 3.960 0.000 0.000 0.269 122 G HA3 0.047 4.008 3.960 0.000 0.000 0.269 122 G C 0.602 175.476 174.900 -0.043 0.000 1.314 122 G CA -0.160 44.922 45.100 -0.031 0.000 1.441 122 G HN 0.588 nan 8.290 nan 0.000 0.595 123 S N -0.647 115.022 115.700 -0.050 0.000 2.562 123 S HA 0.229 4.699 4.470 0.000 0.000 0.281 123 S C 1.331 175.897 174.600 -0.057 0.000 1.333 123 S CA -0.039 58.119 58.200 -0.070 0.000 1.052 123 S CB 1.137 64.293 63.200 -0.072 0.000 0.884 123 S HN 0.468 nan 8.310 nan 0.000 0.506 124 K N 2.053 122.413 120.400 -0.067 0.000 2.350 124 K HA 0.369 4.689 4.320 0.000 0.000 0.196 124 K C 0.395 176.975 176.600 -0.033 0.000 1.084 124 K CA 0.302 56.563 56.287 -0.043 0.000 0.967 124 K CB 0.536 33.014 32.500 -0.036 0.000 0.950 124 K HN 0.635 nan 8.250 nan 0.000 0.512 125 A N 1.071 123.865 122.820 -0.043 0.000 2.346 125 A HA 0.731 5.051 4.320 0.000 0.000 0.313 125 A C -0.980 176.587 177.584 -0.028 0.000 1.140 125 A CA -0.680 51.346 52.037 -0.019 0.000 0.826 125 A CB 1.029 20.040 19.000 0.018 0.000 1.332 125 A HN 0.093 nan 8.150 nan 0.000 0.457 126 R N -0.261 120.232 120.500 -0.011 0.000 2.673 126 R HA 0.622 4.962 4.340 0.000 0.000 0.281 126 R C -0.864 175.437 176.300 0.002 0.000 0.991 126 R CA -0.707 55.385 56.100 -0.013 0.000 0.896 126 R CB 2.655 32.945 30.300 -0.016 0.000 1.201 126 R HN 0.761 nan 8.270 nan 0.000 0.457 127 R N 1.265 121.768 120.500 0.004 0.000 2.686 127 R HA 0.394 4.734 4.340 0.000 0.000 0.286 127 R C -0.618 175.684 176.300 0.005 0.000 0.969 127 R CA -0.859 55.250 56.100 0.014 0.000 0.898 127 R CB 1.645 31.966 30.300 0.035 0.000 1.183 127 R HN 0.489 nan 8.270 nan 0.000 0.456 128 R N 1.526 122.028 120.500 0.004 0.000 2.590 128 R HA 0.001 4.341 4.340 0.000 0.000 0.274 128 R C 1.415 177.712 176.300 -0.004 0.000 1.061 128 R CA 0.066 56.163 56.100 -0.005 0.000 1.081 128 R CB 0.837 31.134 30.300 -0.005 0.000 0.984 128 R HN 0.558 nan 8.270 nan 0.000 0.448 129 V N 0.618 120.520 119.914 -0.020 0.000 3.041 129 V HA 0.074 4.194 4.120 0.000 0.000 0.260 129 V C 1.127 177.201 176.094 -0.032 0.000 1.105 129 V CA 1.762 64.055 62.300 -0.012 0.000 1.125 129 V CB 0.055 31.855 31.823 -0.038 0.000 0.730 129 V HN 0.857 nan 8.190 nan 0.000 0.479 130 G N 0.254 109.015 108.800 -0.065 0.000 3.605 130 G HA2 0.396 4.356 3.960 0.000 0.000 0.277 130 G HA3 0.396 4.356 3.960 0.000 0.000 0.277 130 G C 0.283 175.157 174.900 -0.043 0.000 1.093 130 G CA -0.488 44.553 45.100 -0.099 0.000 0.821 130 G HN 0.456 nan 8.290 nan 0.000 0.532 131 L N 1.091 122.307 121.223 -0.011 0.000 2.490 131 L HA 0.162 4.502 4.340 0.000 0.000 0.274 131 L C 0.965 177.837 176.870 0.004 0.000 1.201 131 L CA -0.113 54.727 54.840 0.001 0.000 0.869 131 L CB 0.780 42.844 42.059 0.009 0.000 1.123 131 L HN 0.097 nan 8.230 nan 0.000 0.484 132 K N 2.949 123.354 120.400 0.008 0.000 2.326 132 K HA 0.353 4.673 4.320 0.000 0.000 0.275 132 K C -0.108 176.496 176.600 0.007 0.000 1.018 132 K CA -0.588 55.709 56.287 0.016 0.000 0.962 132 K CB 0.987 33.502 32.500 0.025 0.000 0.953 132 K HN 0.676 nan 8.250 nan 0.000 0.475 133 A N 5.401 128.226 122.820 0.009 0.000 2.498 133 A HA 0.201 4.521 4.320 0.000 0.000 0.239 133 A C -2.114 175.457 177.584 -0.023 0.000 1.068 133 A CA -1.078 50.957 52.037 -0.003 0.000 0.766 133 A CB -0.492 18.509 19.000 0.002 0.000 1.003 133 A HN 0.628 nan 8.150 nan 0.000 0.497 134 P HA 0.043 nan 4.420 nan 0.000 0.257 134 P C 0.921 178.170 177.300 -0.085 0.000 1.162 134 P CA 1.165 64.207 63.100 -0.096 0.000 0.762 134 P CB 0.269 31.889 31.700 -0.133 0.000 0.753 135 G N 2.741 111.489 108.800 -0.087 0.000 2.393 135 G HA2 -0.018 3.942 3.960 0.000 0.000 0.268 135 G HA3 -0.018 3.942 3.960 0.000 0.000 0.268 135 G C 1.181 176.037 174.900 -0.074 0.000 1.472 135 G CA -0.400 44.663 45.100 -0.062 0.000 1.059 135 G HN 0.418 nan 8.290 nan 0.000 0.555 136 I N -0.137 120.403 120.570 -0.050 0.000 2.193 136 I HA -0.097 4.073 4.170 0.000 0.000 0.240 136 I C 2.648 178.735 176.117 -0.051 0.000 1.084 136 I CA 0.571 61.848 61.300 -0.037 0.000 1.365 136 I CB -0.159 37.833 38.000 -0.013 0.000 1.064 136 I HN 0.243 nan 8.210 nan 0.000 0.410 137 I N 1.163 121.701 120.570 -0.054 0.000 2.179 137 I HA -0.159 4.011 4.170 0.000 0.000 0.242 137 I C -0.228 175.846 176.117 -0.072 0.000 1.088 137 I CA 1.826 63.110 61.300 -0.026 0.000 1.357 137 I CB -2.653 35.362 38.000 0.025 0.000 1.051 137 I HN 0.169 nan 8.210 nan 0.000 0.409 138 P HA -0.057 nan 4.420 nan 0.000 0.230 138 P C 0.418 177.598 177.300 -0.200 0.000 1.158 138 P CA 0.947 63.691 63.100 -0.592 0.000 0.769 138 P CB 0.064 31.041 31.700 -1.206 0.000 0.807 139 R N -0.330 120.103 120.500 -0.113 0.000 2.553 139 R HA 0.707 5.048 4.340 0.000 0.000 0.263 139 R C -0.062 176.241 176.300 0.005 0.000 1.066 139 R CA -0.738 55.335 56.100 -0.045 0.000 1.135 139 R CB 1.072 31.347 30.300 -0.043 0.000 1.148 139 R HN 0.000 nan 8.270 nan 0.000 0.558 140 I N -0.153 120.428 120.570 0.018 0.000 2.842 140 I HA 0.136 4.306 4.170 0.000 0.000 0.297 140 I C -0.549 175.581 176.117 0.023 0.000 1.380 140 I CA -0.613 60.703 61.300 0.026 0.000 1.018 140 I CB 2.325 40.349 38.000 0.040 0.000 1.311 140 I HN 0.876 nan 8.210 nan 0.000 0.439 141 S N 5.222 120.934 115.700 0.020 0.000 2.558 141 S HA 0.171 4.641 4.470 0.000 0.000 0.287 141 S C 0.164 174.774 174.600 0.017 0.000 1.321 141 S CA -0.372 57.838 58.200 0.017 0.000 1.048 141 S CB 0.813 64.022 63.200 0.015 0.000 0.844 141 S HN 0.792 nan 8.310 nan 0.000 0.512 142 V N 1.731 121.654 119.914 0.015 0.000 2.843 142 V HA 0.513 4.633 4.120 0.000 0.000 0.305 142 V C 0.948 177.043 176.094 0.001 0.000 1.065 142 V CA 0.138 62.444 62.300 0.011 0.000 1.116 142 V CB 0.474 32.302 31.823 0.007 0.000 0.968 142 V HN 1.203 nan 8.190 nan 0.000 0.487 143 R N 0.762 121.256 120.500 -0.009 0.000 2.435 143 R HA 0.363 4.703 4.340 0.000 0.000 0.276 143 R C -0.185 176.091 176.300 -0.042 0.000 0.866 143 R CA -0.442 55.648 56.100 -0.017 0.000 1.085 143 R CB 0.185 30.482 30.300 -0.004 0.000 1.751 143 R HN 0.703 nan 8.270 nan 0.000 0.463 144 E N 3.247 123.405 120.200 -0.070 0.000 2.166 144 E HA 0.376 4.726 4.350 0.000 0.000 0.275 144 E C -2.619 173.902 176.600 -0.131 0.000 0.941 144 E CA -2.562 53.764 56.400 -0.124 0.000 0.784 144 E CB 1.802 31.378 29.700 -0.206 0.000 1.115 144 E HN -0.059 nan 8.360 nan 0.000 0.399 145 P HA -0.077 nan 4.420 nan 0.000 0.264 145 P C -0.595 176.607 177.300 -0.164 0.000 1.183 145 P CA 0.264 63.295 63.100 -0.115 0.000 0.763 145 P CB 0.421 32.062 31.700 -0.099 0.000 0.807 146 M N 3.533 123.064 119.600 -0.114 0.000 2.268 146 M HA 0.121 4.601 4.480 0.000 0.000 0.340 146 M C -0.558 175.704 176.300 -0.063 0.000 1.099 146 M CA -0.496 54.733 55.300 -0.119 0.000 1.053 146 M CB 0.246 32.798 32.600 -0.081 0.000 1.284 146 M HN 0.290 nan 8.290 nan 0.000 0.410 147 Q N 2.108 121.874 119.800 -0.058 0.000 2.281 147 Q HA 0.122 4.462 4.340 0.000 0.000 0.267 147 Q C 1.381 177.420 176.000 0.066 0.000 1.053 147 Q CA 0.204 56.030 55.803 0.037 0.000 0.905 147 Q CB 0.643 29.462 28.738 0.135 0.000 1.195 147 Q HN 0.724 nan 8.270 nan 0.000 0.398 148 T N -1.135 113.448 114.554 0.048 0.000 2.896 148 T HA 0.065 4.415 4.350 0.000 0.000 0.263 148 T C 1.267 176.003 174.700 0.059 0.000 1.050 148 T CA 0.742 62.873 62.100 0.050 0.000 1.140 148 T CB 0.065 68.955 68.868 0.037 0.000 0.877 148 T HN 0.790 nan 8.240 nan 0.000 0.457 149 G N 1.314 110.147 108.800 0.055 0.000 2.175 149 G HA2 -0.170 3.790 3.960 0.000 0.000 0.244 149 G HA3 -0.170 3.790 3.960 0.000 0.000 0.244 149 G C -0.024 174.893 174.900 0.029 0.000 0.982 149 G CA -0.015 45.110 45.100 0.042 0.000 0.641 149 G HN 0.666 nan 8.290 nan 0.000 0.527 150 I N 0.826 121.414 120.570 0.031 0.000 2.321 150 I HA 0.328 4.498 4.170 0.000 0.000 0.291 150 I C 1.461 177.594 176.117 0.027 0.000 0.998 150 I CA -0.853 60.462 61.300 0.024 0.000 1.227 150 I CB 1.481 39.495 38.000 0.024 0.000 1.368 150 I HN -0.028 nan 8.210 nan 0.000 0.466 151 K N 4.291 124.706 120.400 0.025 0.000 2.002 151 K HA -0.158 4.162 4.320 0.000 0.000 0.209 151 K C 2.110 178.728 176.600 0.030 0.000 1.048 151 K CA 1.703 58.008 56.287 0.029 0.000 0.930 151 K CB -0.207 32.312 32.500 0.031 0.000 0.714 151 K HN 0.791 nan 8.250 nan 0.000 0.438 152 A N 1.118 123.954 122.820 0.028 0.000 1.948 152 A HA -0.156 4.164 4.320 0.000 0.000 0.220 152 A C 2.392 179.996 177.584 0.034 0.000 1.177 152 A CA 1.723 53.778 52.037 0.030 0.000 0.636 152 A CB -0.728 18.290 19.000 0.031 0.000 0.815 152 A HN 0.091 nan 8.150 nan 0.000 0.449 153 V N 0.213 120.147 119.914 0.033 0.000 2.239 153 V HA -0.179 3.941 4.120 0.000 0.000 0.242 153 V C 2.149 178.262 176.094 0.031 0.000 1.038 153 V CA 2.076 64.396 62.300 0.034 0.000 1.002 153 V CB -0.897 30.945 31.823 0.032 0.000 0.641 153 V HN 0.445 nan 8.190 nan 0.000 0.449 154 D N 0.492 120.910 120.400 0.030 0.000 2.221 154 D HA -0.130 4.510 4.640 0.000 0.000 0.204 154 D C 2.396 178.713 176.300 0.028 0.000 0.982 154 D CA 1.793 55.810 54.000 0.028 0.000 0.857 154 D CB -0.121 40.699 40.800 0.032 0.000 0.934 154 D HN 0.606 nan 8.370 nan 0.000 0.475 155 S N -0.759 114.959 115.700 0.031 0.000 2.387 155 S HA 0.047 4.517 4.470 0.000 0.000 0.221 155 S C 2.064 176.683 174.600 0.030 0.000 1.041 155 S CA 0.181 58.400 58.200 0.031 0.000 0.959 155 S CB -0.299 62.922 63.200 0.034 0.000 0.843 155 S HN 0.188 nan 8.310 nan 0.000 0.488 156 L N 0.890 122.132 121.223 0.032 0.000 2.221 156 L HA 0.328 4.668 4.340 0.000 0.000 0.202 156 L C 0.431 177.323 176.870 0.036 0.000 1.074 156 L CA 0.324 55.184 54.840 0.035 0.000 0.795 156 L CB 0.170 42.253 42.059 0.039 0.000 0.960 156 L HN 0.192 nan 8.230 nan 0.000 0.458 157 V N 1.254 121.189 119.914 0.036 0.000 2.611 157 V HA 0.237 4.357 4.120 0.000 0.000 0.286 157 V C -2.315 173.797 176.094 0.029 0.000 1.118 157 V CA -1.233 61.089 62.300 0.037 0.000 1.334 157 V CB -0.150 31.700 31.823 0.045 0.000 1.555 157 V HN 0.060 nan 8.190 nan 0.000 0.594 158 P HA 0.381 nan 4.420 nan 0.000 0.275 158 P C -0.552 176.755 177.300 0.011 0.000 1.227 158 P CA 0.039 63.149 63.100 0.017 0.000 0.781 158 P CB 1.778 33.487 31.700 0.014 0.000 0.906 159 I N 1.464 122.036 120.570 0.004 0.000 2.493 159 I HA 0.562 4.732 4.170 0.000 0.000 0.298 159 I C 0.974 177.079 176.117 -0.019 0.000 0.998 159 I CA -0.447 60.852 61.300 -0.003 0.000 1.137 159 I CB 2.049 40.048 38.000 -0.001 0.000 1.310 159 I HN 0.331 nan 8.210 nan 0.000 0.445 160 G N 3.720 112.509 108.800 -0.019 0.000 2.454 160 G HA2 0.569 4.529 3.960 0.000 0.000 0.329 160 G HA3 0.569 4.529 3.960 0.000 0.000 0.329 160 G C -0.667 174.214 174.900 -0.030 0.000 1.177 160 G CA -0.918 44.162 45.100 -0.034 0.000 0.951 160 G HN 0.518 nan 8.290 nan 0.000 0.485 161 R N 0.136 120.607 120.500 -0.050 0.000 2.421 161 R HA 0.414 4.754 4.340 0.000 0.000 0.305 161 R C 1.112 177.429 176.300 0.029 0.000 1.039 161 R CA 1.012 57.100 56.100 -0.021 0.000 1.003 161 R CB 0.656 30.916 30.300 -0.066 0.000 0.959 161 R HN 1.055 nan 8.270 nan 0.000 0.427 162 G N 1.814 110.637 108.800 0.038 0.000 2.255 162 G HA2 -0.255 3.705 3.960 0.000 0.000 0.196 162 G HA3 -0.255 3.705 3.960 0.000 0.000 0.196 162 G C 0.099 175.015 174.900 0.027 0.000 0.998 162 G CA -0.279 44.845 45.100 0.042 0.000 0.656 162 G HN 0.580 nan 8.290 nan 0.000 0.490 163 Q N 0.468 120.279 119.800 0.019 0.000 2.306 163 Q HA 0.647 4.987 4.340 0.000 0.000 0.241 163 Q C -0.149 175.863 176.000 0.020 0.000 0.948 163 Q CA -0.504 55.310 55.803 0.017 0.000 0.886 163 Q CB 0.464 29.209 28.738 0.012 0.000 1.227 163 Q HN 0.286 nan 8.270 nan 0.000 0.457 164 R N 2.303 122.817 120.500 0.023 0.000 2.255 164 R HA 0.321 4.661 4.340 0.000 0.000 0.326 164 R C -1.232 175.083 176.300 0.025 0.000 0.986 164 R CA -0.450 55.666 56.100 0.026 0.000 0.847 164 R CB 1.367 31.681 30.300 0.025 0.000 1.111 164 R HN 0.490 nan 8.270 nan 0.000 0.452 165 E N 2.522 122.737 120.200 0.025 0.000 2.218 165 E HA 0.304 4.654 4.350 0.000 0.000 0.263 165 E C -1.595 175.023 176.600 0.030 0.000 0.879 165 E CA -0.923 55.494 56.400 0.028 0.000 0.762 165 E CB 1.066 30.782 29.700 0.026 0.000 1.166 165 E HN 0.370 nan 8.360 nan 0.000 0.415 166 L N 5.486 126.730 121.223 0.036 0.000 2.305 166 L HA 0.518 4.858 4.340 0.000 0.000 0.281 166 L C -1.007 175.891 176.870 0.047 0.000 1.085 166 L CA 0.021 54.883 54.840 0.036 0.000 0.813 166 L CB 0.589 42.673 42.059 0.041 0.000 1.157 166 L HN 0.653 nan 8.230 nan 0.000 0.436 167 I N 6.930 127.521 120.570 0.036 0.000 2.312 167 I HA 0.387 4.557 4.170 0.000 0.000 0.290 167 I C -0.327 175.811 176.117 0.036 0.000 1.008 167 I CA -0.132 61.189 61.300 0.035 0.000 1.226 167 I CB 1.174 39.189 38.000 0.024 0.000 1.371 167 I HN 0.584 nan 8.210 nan 0.000 0.468 168 I N 5.471 126.075 120.570 0.058 0.000 2.545 168 I HA 0.878 5.048 4.170 0.000 0.000 0.292 168 I C -0.301 175.815 176.117 -0.001 0.000 1.040 168 I CA -0.018 61.338 61.300 0.094 0.000 1.068 168 I CB 1.921 40.048 38.000 0.212 0.000 1.251 168 I HN 0.689 nan 8.210 nan 0.000 0.424 169 G N 4.784 113.571 108.800 -0.022 0.000 2.340 169 G HA2 0.172 4.132 3.960 0.000 0.000 0.298 169 G HA3 0.172 4.132 3.960 0.000 0.000 0.298 169 G C -1.891 172.963 174.900 -0.077 0.000 1.498 169 G CA -0.841 44.157 45.100 -0.170 0.000 0.847 169 G HN 0.510 nan 8.290 nan 0.000 0.594 170 D N 0.299 120.643 120.400 -0.094 0.000 2.346 170 D HA 0.319 4.959 4.640 0.000 0.000 0.236 170 D C 1.342 177.584 176.300 -0.097 0.000 1.259 170 D CA 0.139 54.104 54.000 -0.058 0.000 0.898 170 D CB 0.401 41.170 40.800 -0.052 0.000 1.178 170 D HN 0.655 nan 8.370 nan 0.000 0.457 171 R N 0.770 121.229 120.500 -0.068 0.000 2.698 171 R HA 0.049 4.389 4.340 0.000 0.000 0.266 171 R C -0.098 176.100 176.300 -0.170 0.000 1.026 171 R CA -0.294 55.755 56.100 -0.084 0.000 1.102 171 R CB 0.017 30.293 30.300 -0.041 0.000 0.978 171 R HN 0.187 nan 8.270 nan 0.000 0.436 172 Q N -0.246 119.435 119.800 -0.199 0.000 2.463 172 Q HA -0.152 4.188 4.340 0.000 0.000 0.299 172 Q C 0.189 175.708 176.000 -0.800 0.000 1.353 172 Q CA 1.735 57.342 55.803 -0.328 0.000 0.828 172 Q CB -1.883 26.737 28.738 -0.198 0.000 1.157 172 Q HN 1.046 nan 8.270 nan 0.000 0.436 173 T N -5.501 108.635 114.554 -0.697 0.000 3.040 173 T HA 0.467 4.817 4.350 0.000 0.000 0.266 173 T C 1.085 175.501 174.700 -0.474 0.000 1.005 173 T CA 0.845 62.406 62.100 -0.898 0.000 0.906 173 T CB 1.126 69.733 68.868 -0.436 0.000 1.082 173 T HN 0.932 nan 8.240 nan 0.000 0.531 174 G N 1.672 110.321 108.800 -0.253 0.000 2.135 174 G HA2 -0.199 3.761 3.960 0.000 0.000 0.183 174 G HA3 -0.199 3.761 3.960 0.000 0.000 0.183 174 G C 0.631 175.532 174.900 0.001 0.000 1.004 174 G CA 0.185 45.298 45.100 0.021 0.000 0.677 174 G HN 0.493 nan 8.290 nan 0.000 0.512 175 K N -0.385 119.992 120.400 -0.037 0.000 2.007 175 K HA -0.006 4.314 4.320 0.000 0.000 0.206 175 K C 2.588 179.209 176.600 0.035 0.000 1.047 175 K CA 1.688 57.968 56.287 -0.011 0.000 0.937 175 K CB -0.358 32.126 32.500 -0.027 0.000 0.718 175 K HN 0.247 nan 8.250 nan 0.000 0.438 176 T N 1.266 115.853 114.554 0.055 0.000 2.699 176 T HA -0.170 4.180 4.350 0.000 0.000 0.268 176 T C 2.110 176.859 174.700 0.082 0.000 1.036 176 T CA 1.673 63.835 62.100 0.103 0.000 1.147 176 T CB -0.308 68.627 68.868 0.112 0.000 0.862 176 T HN 0.144 nan 8.240 nan 0.000 0.446 177 S N 0.729 116.464 115.700 0.059 0.000 2.374 177 S HA -0.108 4.362 4.470 0.000 0.000 0.227 177 S C 2.007 176.633 174.600 0.043 0.000 1.037 177 S CA 0.854 59.081 58.200 0.045 0.000 1.024 177 S CB -0.434 62.776 63.200 0.017 0.000 0.861 177 S HN 0.354 nan 8.310 nan 0.000 0.456 178 I N 1.643 122.239 120.570 0.044 0.000 2.127 178 I HA -0.228 3.942 4.170 0.000 0.000 0.241 178 I C 2.738 178.889 176.117 0.058 0.000 1.075 178 I CA 1.637 62.963 61.300 0.044 0.000 1.334 178 I CB -1.741 36.282 38.000 0.038 0.000 1.040 178 I HN 0.270 nan 8.210 nan 0.000 0.405 179 A N 0.973 123.840 122.820 0.078 0.000 1.902 179 A HA -0.164 4.156 4.320 0.000 0.000 0.217 179 A C 2.228 179.865 177.584 0.089 0.000 1.181 179 A CA 1.340 53.438 52.037 0.101 0.000 0.623 179 A CB -0.524 18.581 19.000 0.176 0.000 0.818 179 A HN 0.294 nan 8.150 nan 0.000 0.443 180 I N 0.434 121.045 120.570 0.069 0.000 2.286 180 I HA -0.147 4.023 4.170 0.000 0.000 0.245 180 I C 1.668 177.836 176.117 0.086 0.000 1.104 180 I CA 1.414 62.741 61.300 0.044 0.000 1.397 180 I CB -1.537 36.487 38.000 0.040 0.000 1.072 180 I HN 0.246 nan 8.210 nan 0.000 0.417 181 D N 0.480 120.938 120.400 0.098 0.000 2.178 181 D HA -0.122 4.518 4.640 0.000 0.000 0.201 181 D C 2.176 178.525 176.300 0.082 0.000 0.980 181 D CA 1.292 55.350 54.000 0.097 0.000 0.842 181 D CB -0.198 40.639 40.800 0.062 0.000 0.948 181 D HN 0.255 nan 8.370 nan 0.000 0.472 182 T N 0.936 115.533 114.554 0.073 0.000 2.652 182 T HA -0.129 4.221 4.350 0.000 0.000 0.267 182 T C 2.209 176.962 174.700 0.089 0.000 1.039 182 T CA 0.729 62.872 62.100 0.070 0.000 1.153 182 T CB -0.317 68.584 68.868 0.056 0.000 0.863 182 T HN 0.163 nan 8.240 nan 0.000 0.428 183 I N 0.618 121.249 120.570 0.103 0.000 2.163 183 I HA -0.173 3.997 4.170 0.000 0.000 0.243 183 I C 2.306 178.565 176.117 0.236 0.000 1.085 183 I CA 1.496 62.894 61.300 0.164 0.000 1.347 183 I CB -0.409 37.666 38.000 0.125 0.000 1.044 183 I HN 0.220 nan 8.210 nan 0.000 0.408 184 I N 0.650 121.314 120.570 0.156 0.000 2.454 184 I HA -0.292 3.878 4.170 0.000 0.000 0.254 184 I C 2.182 178.377 176.117 0.131 0.000 1.156 184 I CA 1.235 62.624 61.300 0.149 0.000 1.433 184 I CB -0.539 37.517 38.000 0.093 0.000 1.082 184 I HN 0.328 nan 8.210 nan 0.000 0.432 185 N N 0.703 119.461 118.700 0.097 0.000 2.223 185 N HA -0.200 4.540 4.740 0.000 0.000 0.185 185 N C 1.819 177.339 175.510 0.017 0.000 1.016 185 N CA 1.146 54.226 53.050 0.051 0.000 0.863 185 N CB 0.067 38.603 38.487 0.081 0.000 0.983 185 N HN 0.223 nan 8.380 nan 0.000 0.429 186 Q N 0.417 120.246 119.800 0.048 0.000 2.364 186 Q HA -0.093 4.247 4.340 0.000 0.000 0.207 186 Q C 1.670 177.540 176.000 -0.217 0.000 0.970 186 Q CA 0.586 56.384 55.803 -0.009 0.000 0.888 186 Q CB -0.236 28.341 28.738 -0.269 0.000 0.951 186 Q HN 0.515 nan 8.270 nan 0.000 0.469 187 K N 1.623 121.953 120.400 -0.118 0.000 2.089 187 K HA -0.229 4.091 4.320 0.000 0.000 0.210 187 K C 2.071 178.568 176.600 -0.171 0.000 1.048 187 K CA 1.766 58.035 56.287 -0.029 0.000 0.926 187 K CB -0.018 32.549 32.500 0.111 0.000 0.714 187 K HN 0.268 nan 8.250 nan 0.000 0.448 188 R N -0.517 119.778 120.500 -0.341 0.000 2.117 188 R HA -0.178 4.162 4.340 0.000 0.000 0.243 188 R C 1.902 177.918 176.300 -0.472 0.000 1.143 188 R CA 2.002 57.810 56.100 -0.488 0.000 0.968 188 R CB -0.737 29.130 30.300 -0.721 0.000 0.863 188 R HN 0.222 nan 8.270 nan 0.000 0.444 189 F N 1.166 121.031 119.950 -0.141 0.000 2.317 189 F HA 0.166 4.693 4.527 0.000 0.000 0.290 189 F C 1.681 177.376 175.800 -0.175 0.000 1.075 189 F CA 0.009 57.917 58.000 -0.154 0.000 1.380 189 F CB -0.278 38.610 39.000 -0.188 0.000 1.093 189 F HN -0.066 nan 8.300 nan 0.000 0.524 190 N N 0.100 118.751 118.700 -0.082 0.000 2.571 190 N HA -0.090 4.650 4.740 0.000 0.000 0.189 190 N C 0.344 175.834 175.510 -0.032 0.000 1.154 190 N CA 0.806 53.768 53.050 -0.146 0.000 0.907 190 N CB -0.374 37.890 38.487 -0.371 0.000 0.977 190 N HN 0.297 nan 8.380 nan 0.000 0.449 191 D N -0.965 119.419 120.400 -0.026 0.000 2.433 191 D HA 0.143 4.783 4.640 0.000 0.000 0.211 191 D C 1.158 177.454 176.300 -0.006 0.000 1.114 191 D CA 0.046 54.043 54.000 -0.004 0.000 0.837 191 D CB 0.378 41.172 40.800 -0.011 0.000 0.984 191 D HN 0.109 nan 8.370 nan 0.000 0.505 192 G N 0.115 108.913 108.800 -0.003 0.000 2.535 192 G HA2 0.315 4.275 3.960 0.000 0.000 0.282 192 G HA3 0.315 4.275 3.960 0.000 0.000 0.282 192 G C 0.960 175.875 174.900 0.025 0.000 1.350 192 G CA 0.213 45.320 45.100 0.011 0.000 1.039 192 G HN 0.112 nan 8.290 nan 0.000 0.509 193 T N -3.110 111.461 114.554 0.029 0.000 3.003 193 T HA 0.120 4.470 4.350 0.000 0.000 0.261 193 T C 0.384 175.108 174.700 0.040 0.000 1.003 193 T CA 0.061 62.182 62.100 0.035 0.000 0.917 193 T CB 0.354 69.239 68.868 0.028 0.000 1.084 193 T HN 0.312 nan 8.240 nan 0.000 0.522 194 D N 2.557 122.981 120.400 0.039 0.000 2.357 194 D HA 0.082 4.722 4.640 0.000 0.000 0.265 194 D C 1.151 177.478 176.300 0.045 0.000 1.334 194 D CA 0.032 54.055 54.000 0.039 0.000 0.984 194 D CB 0.584 41.406 40.800 0.037 0.000 1.077 194 D HN 0.131 nan 8.370 nan 0.000 0.514 195 E N 2.858 123.092 120.200 0.058 0.000 2.208 195 E HA -0.112 4.238 4.350 0.000 0.000 0.193 195 E C 1.281 177.942 176.600 0.102 0.000 0.988 195 E CA 0.702 57.155 56.400 0.087 0.000 0.828 195 E CB 0.295 30.058 29.700 0.104 0.000 0.763 195 E HN 0.558 nan 8.360 nan 0.000 0.478 196 K N 0.311 120.758 120.400 0.078 0.000 2.228 196 K HA -0.000 4.320 4.320 0.000 0.000 0.202 196 K C 1.730 178.312 176.600 -0.028 0.000 1.051 196 K CA 0.435 56.779 56.287 0.095 0.000 0.960 196 K CB 0.161 32.702 32.500 0.069 0.000 0.743 196 K HN -0.109 nan 8.250 nan 0.000 0.458 197 K N 1.425 121.783 120.400 -0.070 0.000 2.487 197 K HA 0.040 4.360 4.320 0.000 0.000 0.192 197 K C 0.294 176.729 176.600 -0.275 0.000 1.027 197 K CA 0.391 56.558 56.287 -0.200 0.000 1.054 197 K CB 0.215 32.657 32.500 -0.097 0.000 0.824 197 K HN 0.153 nan 8.250 nan 0.000 0.510 198 K N 0.650 120.960 120.400 -0.149 0.000 2.109 198 K HA 0.354 4.674 4.320 0.000 0.000 0.243 198 K C -0.619 175.810 176.600 -0.284 0.000 1.006 198 K CA -0.712 55.447 56.287 -0.213 0.000 0.917 198 K CB 0.926 33.302 32.500 -0.206 0.000 1.081 198 K HN -0.181 nan 8.250 nan 0.000 0.468 199 L N 2.112 123.064 121.223 -0.452 0.000 2.596 199 L HA 0.291 4.631 4.340 0.000 0.000 0.265 199 L C -1.799 174.764 176.870 -0.512 0.000 0.962 199 L CA -0.325 54.295 54.840 -0.366 0.000 0.891 199 L CB 0.900 42.801 42.059 -0.263 0.000 1.248 199 L HN 0.471 nan 8.230 nan 0.000 0.410 200 Y N 3.112 123.261 120.300 -0.251 0.000 2.299 200 Y HA 0.504 5.054 4.550 0.000 0.000 0.326 200 Y C 0.448 176.204 175.900 -0.239 0.000 1.164 200 Y CA -0.123 57.788 58.100 -0.315 0.000 1.234 200 Y CB 1.037 39.018 38.460 -0.797 0.000 1.219 200 Y HN 0.498 nan 8.280 nan 0.000 0.497 201 C N 4.434 123.781 119.300 0.079 0.000 2.411 201 C HA 0.720 5.180 4.460 0.000 0.000 0.330 201 C C -0.185 174.833 174.990 0.047 0.000 1.224 201 C CA -1.110 57.950 59.018 0.069 0.000 1.770 201 C CB 0.050 27.894 27.740 0.174 0.000 2.297 201 C HN 0.640 nan 8.230 nan 0.000 0.507 202 I N 2.373 122.949 120.570 0.009 0.000 2.478 202 I HA 0.267 4.437 4.170 0.000 0.000 0.287 202 I C -1.064 175.057 176.117 0.007 0.000 1.042 202 I CA -0.423 60.880 61.300 0.005 0.000 1.067 202 I CB 1.080 39.056 38.000 -0.041 0.000 1.233 202 I HN 0.614 nan 8.210 nan 0.000 0.431 203 Y N 7.066 127.323 120.300 -0.072 0.000 2.369 203 Y HA 0.599 5.149 4.550 0.000 0.000 0.337 203 Y C -0.795 175.064 175.900 -0.067 0.000 0.961 203 Y CA -0.734 57.319 58.100 -0.078 0.000 1.186 203 Y CB 1.139 39.572 38.460 -0.045 0.000 1.139 203 Y HN 0.288 nan 8.280 nan 0.000 0.494 204 V N 6.541 126.170 119.914 -0.475 0.000 2.348 204 V HA 0.553 4.673 4.120 0.000 0.000 0.270 204 V C 0.104 175.937 176.094 -0.435 0.000 1.037 204 V CA -0.573 61.538 62.300 -0.315 0.000 0.872 204 V CB 0.710 32.425 31.823 -0.180 0.000 1.002 204 V HN 0.907 nan 8.190 nan 0.000 0.464 205 A N 7.192 129.885 122.820 -0.213 0.000 2.260 205 A HA 0.796 5.116 4.320 0.000 0.000 0.312 205 A C -0.564 176.999 177.584 -0.035 0.000 1.321 205 A CA -0.276 51.698 52.037 -0.105 0.000 0.928 205 A CB -0.193 18.862 19.000 0.092 0.000 1.158 205 A HN 0.731 nan 8.150 nan 0.000 0.542 206 I N 2.047 122.595 120.570 -0.036 0.000 2.389 206 I HA 0.619 4.789 4.170 0.000 0.000 0.288 206 I C 1.150 177.288 176.117 0.034 0.000 0.999 206 I CA 0.562 61.869 61.300 0.013 0.000 1.129 206 I CB 1.603 39.610 38.000 0.011 0.000 1.288 206 I HN 0.915 nan 8.210 nan 0.000 0.444 207 G N 3.601 112.433 108.800 0.053 0.000 2.241 207 G HA2 -0.228 3.732 3.960 0.000 0.000 0.244 207 G HA3 -0.228 3.732 3.960 0.000 0.000 0.244 207 G C 0.421 175.354 174.900 0.055 0.000 0.998 207 G CA -0.324 44.812 45.100 0.059 0.000 0.621 207 G HN 0.578 nan 8.290 nan 0.000 0.519 208 Q N 0.642 120.476 119.800 0.057 0.000 2.492 208 Q HA 0.408 4.748 4.340 0.000 0.000 0.238 208 Q C 0.315 176.350 176.000 0.058 0.000 1.045 208 Q CA 0.155 55.996 55.803 0.064 0.000 0.934 208 Q CB 0.487 29.279 28.738 0.090 0.000 1.276 208 Q HN 0.413 nan 8.270 nan 0.000 0.521 209 K N 1.133 121.565 120.400 0.053 0.000 2.401 209 K HA -0.011 4.309 4.320 0.000 0.000 0.278 209 K C 0.977 177.605 176.600 0.047 0.000 1.018 209 K CA 0.005 56.319 56.287 0.045 0.000 0.981 209 K CB 0.635 33.158 32.500 0.039 0.000 0.933 209 K HN 0.478 nan 8.250 nan 0.000 0.477 210 R N 1.781 122.306 120.500 0.041 0.000 2.081 210 R HA -0.175 4.165 4.340 0.000 0.000 0.235 210 R C 1.928 178.246 176.300 0.030 0.000 1.131 210 R CA 2.206 58.328 56.100 0.038 0.000 0.960 210 R CB -0.166 30.153 30.300 0.033 0.000 0.856 210 R HN 0.813 nan 8.270 nan 0.000 0.436 211 S N -0.620 115.095 115.700 0.025 0.000 2.400 211 S HA -0.148 4.322 4.470 0.000 0.000 0.232 211 S C 1.808 176.419 174.600 0.017 0.000 1.025 211 S CA 1.757 59.968 58.200 0.018 0.000 0.993 211 S CB -0.600 62.609 63.200 0.016 0.000 0.808 211 S HN 0.385 nan 8.310 nan 0.000 0.478 212 T N 2.364 116.935 114.554 0.028 0.000 2.708 212 T HA -0.021 4.329 4.350 0.000 0.000 0.266 212 T C 1.946 176.658 174.700 0.020 0.000 1.037 212 T CA 1.497 63.614 62.100 0.029 0.000 1.146 212 T CB -0.613 68.284 68.868 0.048 0.000 0.865 212 T HN 0.348 nan 8.240 nan 0.000 0.435 213 V N 1.945 121.882 119.914 0.040 0.000 2.307 213 V HA -0.134 3.986 4.120 0.000 0.000 0.245 213 V C 2.959 179.053 176.094 0.000 0.000 1.045 213 V CA 1.530 63.854 62.300 0.040 0.000 1.024 213 V CB -1.427 30.446 31.823 0.083 0.000 0.651 213 V HN 0.517 nan 8.190 nan 0.000 0.449 214 A N -0.374 122.448 122.820 0.004 0.000 1.892 214 A HA -0.371 3.949 4.320 0.000 0.000 0.218 214 A C 2.200 179.766 177.584 -0.031 0.000 1.188 214 A CA 2.504 54.534 52.037 -0.011 0.000 0.631 214 A CB -0.652 18.346 19.000 -0.003 0.000 0.822 214 A HN 0.610 nan 8.150 nan 0.000 0.447 215 Q N -0.987 118.796 119.800 -0.029 0.000 2.124 215 Q HA -0.082 4.258 4.340 0.000 0.000 0.202 215 Q C 2.136 178.090 176.000 -0.077 0.000 0.977 215 Q CA 1.218 56.994 55.803 -0.044 0.000 0.850 215 Q CB -0.241 28.481 28.738 -0.026 0.000 0.901 215 Q HN 0.645 nan 8.270 nan 0.000 0.429 216 L N 0.278 121.450 121.223 -0.086 0.000 2.017 216 L HA -0.152 4.188 4.340 0.000 0.000 0.208 216 L C 2.058 178.832 176.870 -0.160 0.000 1.073 216 L CA 1.534 56.285 54.840 -0.147 0.000 0.745 216 L CB -0.608 41.326 42.059 -0.209 0.000 0.894 216 L HN 0.148 nan 8.230 nan 0.000 0.432 217 V N 0.569 120.412 119.914 -0.119 0.000 2.332 217 V HA -0.289 3.831 4.120 0.000 0.000 0.248 217 V C 2.783 178.810 176.094 -0.112 0.000 1.055 217 V CA 1.900 64.136 62.300 -0.107 0.000 1.038 217 V CB -0.718 31.066 31.823 -0.065 0.000 0.651 217 V HN 0.459 nan 8.190 nan 0.000 0.450 218 K N 0.520 120.861 120.400 -0.098 0.000 2.032 218 K HA -0.271 4.049 4.320 0.000 0.000 0.209 218 K C 2.344 178.864 176.600 -0.132 0.000 1.048 218 K CA 2.174 58.403 56.287 -0.098 0.000 0.927 218 K CB -0.249 32.204 32.500 -0.079 0.000 0.712 218 K HN 0.342 nan 8.250 nan 0.000 0.441 219 R N 1.191 121.593 120.500 -0.162 0.000 2.096 219 R HA -0.095 4.245 4.340 0.000 0.000 0.240 219 R C 2.392 178.559 176.300 -0.221 0.000 1.139 219 R CA 1.653 57.613 56.100 -0.233 0.000 0.952 219 R CB -0.821 29.314 30.300 -0.275 0.000 0.854 219 R HN 0.276 nan 8.270 nan 0.000 0.436 220 L N -0.262 120.845 121.223 -0.193 0.000 2.056 220 L HA -0.139 4.201 4.340 0.000 0.000 0.207 220 L C 2.305 179.066 176.870 -0.182 0.000 1.078 220 L CA 1.908 56.634 54.840 -0.189 0.000 0.749 220 L CB -0.700 41.243 42.059 -0.194 0.000 0.901 220 L HN 0.335 nan 8.230 nan 0.000 0.433 221 T N -0.700 113.762 114.554 -0.154 0.000 2.607 221 T HA -0.229 4.121 4.350 0.000 0.000 0.267 221 T C 1.436 176.066 174.700 -0.117 0.000 1.049 221 T CA 1.790 63.814 62.100 -0.128 0.000 1.162 221 T CB -0.332 68.476 68.868 -0.100 0.000 0.863 221 T HN 0.305 nan 8.240 nan 0.000 0.424 222 D N 1.160 121.488 120.400 -0.120 0.000 2.221 222 D HA -0.012 4.628 4.640 0.000 0.000 0.204 222 D C 2.017 178.252 176.300 -0.108 0.000 0.982 222 D CA 1.011 54.945 54.000 -0.110 0.000 0.857 222 D CB -0.319 40.407 40.800 -0.124 0.000 0.934 222 D HN 0.460 nan 8.370 nan 0.000 0.475 223 A N 0.078 122.822 122.820 -0.127 0.000 2.178 223 A HA -0.002 4.318 4.320 0.000 0.000 0.211 223 A C 0.727 178.260 177.584 -0.085 0.000 1.157 223 A CA 0.728 52.704 52.037 -0.102 0.000 0.780 223 A CB 0.123 19.059 19.000 -0.107 0.000 0.828 223 A HN 0.072 nan 8.150 nan 0.000 0.476 224 D N -3.146 117.188 120.400 -0.110 0.000 2.907 224 D HA -0.197 4.443 4.640 0.000 0.000 0.226 224 D C 0.763 176.947 176.300 -0.193 0.000 1.141 224 D CA 1.113 55.047 54.000 -0.109 0.000 0.779 224 D CB -1.319 39.452 40.800 -0.049 0.000 1.095 224 D HN 0.508 nan 8.370 nan 0.000 0.430 225 A N -0.894 121.725 122.820 -0.335 0.000 2.115 225 A HA 0.165 4.485 4.320 0.000 0.000 0.211 225 A C 1.968 178.951 177.584 -1.002 0.000 1.169 225 A CA 1.049 52.586 52.037 -0.834 0.000 0.787 225 A CB -0.150 18.590 19.000 -0.434 0.000 0.858 225 A HN 0.287 nan 8.150 nan 0.000 0.474 226 M N 1.445 120.762 119.600 -0.471 0.000 2.202 226 M HA -0.172 4.308 4.480 0.000 0.000 0.262 226 M C 1.971 178.117 176.300 -0.256 0.000 1.063 226 M CA 2.017 57.134 55.300 -0.305 0.000 1.097 226 M CB -0.501 31.991 32.600 -0.180 0.000 1.382 226 M HN 0.516 nan 8.290 nan 0.000 0.413 227 K N -0.422 119.825 120.400 -0.255 0.000 2.360 227 K HA -0.185 4.135 4.320 0.000 0.000 0.201 227 K C 0.413 177.039 176.600 0.045 0.000 1.046 227 K CA 1.625 57.864 56.287 -0.081 0.000 0.940 227 K CB -0.672 31.817 32.500 -0.019 0.000 0.748 227 K HN 0.635 nan 8.250 nan 0.000 0.465 228 Y N -0.766 119.571 120.300 0.062 0.000 2.707 228 Y HA 0.461 5.011 4.550 0.000 0.000 0.249 228 Y C -0.645 175.306 175.900 0.085 0.000 1.166 228 Y CA -1.175 56.990 58.100 0.108 0.000 1.184 228 Y CB 0.025 38.494 38.460 0.015 0.000 1.240 228 Y HN -0.200 nan 8.280 nan 0.000 0.547 229 T N 2.791 117.381 114.554 0.059 0.000 2.861 229 T HA 0.618 4.968 4.350 0.000 0.000 0.287 229 T C -0.510 174.220 174.700 0.050 0.000 1.003 229 T CA -0.415 61.721 62.100 0.061 0.000 0.977 229 T CB 1.879 70.725 68.868 -0.037 0.000 0.996 229 T HN 0.158 nan 8.240 nan 0.000 0.448 230 I N 2.257 122.867 120.570 0.068 0.000 2.359 230 I HA 0.492 4.662 4.170 0.000 0.000 0.294 230 I C -0.394 175.758 176.117 0.059 0.000 0.987 230 I CA -1.090 60.244 61.300 0.056 0.000 1.225 230 I CB 1.585 39.623 38.000 0.064 0.000 1.366 230 I HN 0.226 nan 8.210 nan 0.000 0.466 231 V N 7.010 126.957 119.914 0.055 0.000 2.370 231 V HA 0.318 4.438 4.120 0.000 0.000 0.283 231 V C -0.020 176.109 176.094 0.059 0.000 1.023 231 V CA -0.644 61.709 62.300 0.088 0.000 0.857 231 V CB 1.784 33.660 31.823 0.088 0.000 0.985 231 V HN 0.427 nan 8.190 nan 0.000 0.443 232 V N 3.997 123.939 119.914 0.046 0.000 2.370 232 V HA 0.520 4.640 4.120 0.000 0.000 0.283 232 V C 0.226 176.336 176.094 0.027 0.000 1.023 232 V CA -0.224 62.088 62.300 0.021 0.000 0.857 232 V CB 1.536 33.357 31.823 -0.003 0.000 0.985 232 V HN 0.820 nan 8.190 nan 0.000 0.443 233 S N 3.793 119.514 115.700 0.035 0.000 2.498 233 S HA 0.797 5.267 4.470 0.000 0.000 0.317 233 S C -0.238 174.388 174.600 0.042 0.000 1.090 233 S CA -0.066 58.161 58.200 0.046 0.000 1.089 233 S CB 1.196 64.429 63.200 0.055 0.000 0.997 233 S HN 1.173 nan 8.310 nan 0.000 0.470 234 A N 4.184 127.032 122.820 0.046 0.000 2.815 234 A HA 0.576 4.896 4.320 0.000 0.000 0.318 234 A C 0.303 177.925 177.584 0.062 0.000 1.186 234 A CA -0.611 51.462 52.037 0.060 0.000 0.754 234 A CB 0.119 19.162 19.000 0.071 0.000 1.151 234 A HN 0.876 nan 8.150 nan 0.000 0.452 235 T N -1.331 113.259 114.554 0.060 0.000 2.770 235 T HA 0.546 4.896 4.350 0.000 0.000 0.281 235 T C 1.620 176.355 174.700 0.057 0.000 0.981 235 T CA 0.171 62.305 62.100 0.057 0.000 0.955 235 T CB 0.934 69.833 68.868 0.052 0.000 1.060 235 T HN 1.260 nan 8.240 nan 0.000 0.531 236 A N 0.713 123.564 122.820 0.052 0.000 1.997 236 A HA -0.092 4.228 4.320 0.000 0.000 0.221 236 A C 2.500 180.111 177.584 0.045 0.000 1.172 236 A CA 2.375 54.441 52.037 0.049 0.000 0.645 236 A CB -1.401 17.625 19.000 0.043 0.000 0.813 236 A HN 1.215 nan 8.150 nan 0.000 0.454 237 S N -0.942 114.784 115.700 0.042 0.000 2.556 237 S HA 0.084 4.554 4.470 0.000 0.000 0.216 237 S C 0.059 174.685 174.600 0.043 0.000 0.970 237 S CA -0.271 57.952 58.200 0.037 0.000 0.912 237 S CB -0.194 63.025 63.200 0.031 0.000 0.790 237 S HN 0.420 nan 8.310 nan 0.000 0.504 238 D N 2.618 123.051 120.400 0.054 0.000 2.341 238 D HA 0.478 5.118 4.640 0.000 0.000 0.245 238 D C 0.448 176.792 176.300 0.073 0.000 1.106 238 D CA 0.246 54.286 54.000 0.066 0.000 0.905 238 D CB 1.472 42.318 40.800 0.077 0.000 1.202 238 D HN 0.462 nan 8.370 nan 0.000 0.426 239 A N 1.352 124.218 122.820 0.077 0.000 2.466 239 A HA 0.330 4.650 4.320 0.000 0.000 0.238 239 A C 1.336 178.983 177.584 0.105 0.000 1.074 239 A CA 0.460 52.540 52.037 0.072 0.000 0.774 239 A CB 0.334 19.370 19.000 0.061 0.000 1.015 239 A HN 0.639 nan 8.150 nan 0.000 0.498 240 A N 2.427 125.299 122.820 0.086 0.000 1.873 240 A HA -0.063 4.257 4.320 0.000 0.000 0.218 240 A C -0.112 177.595 177.584 0.205 0.000 1.193 240 A CA 2.142 54.249 52.037 0.117 0.000 0.629 240 A CB -1.823 17.213 19.000 0.061 0.000 0.826 240 A HN 0.631 nan 8.150 nan 0.000 0.447 241 P HA -0.158 nan 4.420 nan 0.000 0.216 241 P C 1.456 179.104 177.300 0.579 0.000 1.150 241 P CA 0.940 64.246 63.100 0.344 0.000 0.843 241 P CB -0.160 31.579 31.700 0.065 0.000 0.787 242 L N -0.950 120.522 121.223 0.415 0.000 2.017 242 L HA -0.233 4.107 4.340 0.000 0.000 0.208 242 L C 2.642 179.664 176.870 0.253 0.000 1.073 242 L CA 1.690 56.731 54.840 0.335 0.000 0.745 242 L CB -0.982 41.209 42.059 0.220 0.000 0.894 242 L HN 0.012 nan 8.230 nan 0.000 0.432 243 Q N -1.228 118.713 119.800 0.235 0.000 2.170 243 Q HA -0.259 4.081 4.340 0.000 0.000 0.203 243 Q C 2.067 178.202 176.000 0.226 0.000 0.976 243 Q CA 1.932 57.847 55.803 0.186 0.000 0.858 243 Q CB -0.269 28.569 28.738 0.166 0.000 0.907 243 Q HN 0.569 nan 8.270 nan 0.000 0.433 244 Y N 0.715 121.130 120.300 0.193 0.000 2.263 244 Y HA -0.167 4.383 4.550 -0.000 0.000 0.292 244 Y C 1.872 177.952 175.900 0.300 0.000 1.130 244 Y CA 0.958 59.202 58.100 0.238 0.000 1.179 244 Y CB -0.158 38.481 38.460 0.299 0.000 0.998 244 Y HN 0.083 nan 8.280 nan 0.000 0.532 245 L N 1.018 122.244 121.223 0.004 0.000 2.179 245 L HA 0.133 4.473 4.340 0.000 0.000 0.208 245 L C 2.456 179.324 176.870 -0.003 0.000 1.096 245 L CA 1.744 56.538 54.840 -0.078 0.000 0.779 245 L CB -1.140 40.923 42.059 0.007 0.000 0.922 245 L HN 0.284 nan 8.230 nan 0.000 0.443 246 A N 0.837 123.660 122.820 0.005 0.000 1.948 246 A HA -0.142 4.178 4.320 0.000 0.000 0.220 246 A C -0.145 177.414 177.584 -0.042 0.000 1.177 246 A CA 2.088 54.118 52.037 -0.012 0.000 0.636 246 A CB -2.054 16.951 19.000 0.010 0.000 0.815 246 A HN 0.520 nan 8.150 nan 0.000 0.449 247 P HA -0.078 nan 4.420 nan 0.000 0.221 247 P C 0.962 178.144 177.300 -0.197 0.000 1.155 247 P CA 1.004 64.015 63.100 -0.148 0.000 0.812 247 P CB -0.263 31.144 31.700 -0.488 0.000 0.801 248 Y N 0.909 121.137 120.300 -0.121 0.000 2.163 248 Y HA -0.137 4.413 4.550 0.000 0.000 0.288 248 Y C 2.818 178.679 175.900 -0.065 0.000 1.136 248 Y CA 1.502 59.527 58.100 -0.124 0.000 1.147 248 Y CB -1.370 36.961 38.460 -0.215 0.000 0.987 248 Y HN -0.075 nan 8.280 nan 0.000 0.509 249 S N 0.081 115.823 115.700 0.069 0.000 2.365 249 S HA -0.234 4.236 4.470 0.000 0.000 0.225 249 S C 2.411 177.030 174.600 0.033 0.000 1.039 249 S CA 1.329 59.541 58.200 0.020 0.000 1.033 249 S CB -1.189 61.998 63.200 -0.022 0.000 0.887 249 S HN 0.678 nan 8.310 nan 0.000 0.447 250 G N 0.176 108.996 108.800 0.034 0.000 2.440 250 G HA2 -0.291 3.669 3.960 0.000 0.000 0.218 250 G HA3 -0.291 3.669 3.960 0.000 0.000 0.218 250 G C 1.726 176.662 174.900 0.060 0.000 1.154 250 G CA 1.091 46.210 45.100 0.031 0.000 0.767 250 G HN 0.603 nan 8.290 nan 0.000 0.552 251 C N 0.652 120.015 119.300 0.105 0.000 2.435 251 C HA 0.047 4.507 4.460 0.000 0.000 0.279 251 C C 3.273 178.326 174.990 0.106 0.000 1.321 251 C CA 1.566 60.660 59.018 0.127 0.000 1.752 251 C CB -0.978 26.848 27.740 0.143 0.000 1.959 251 C HN 0.353 nan 8.230 nan 0.000 0.500 252 S N 0.803 116.558 115.700 0.092 0.000 2.355 252 S HA -0.121 4.349 4.470 0.000 0.000 0.222 252 S C 1.750 176.419 174.600 0.115 0.000 1.031 252 S CA 1.893 60.145 58.200 0.086 0.000 0.993 252 S CB -0.409 62.825 63.200 0.057 0.000 0.859 252 S HN 0.653 nan 8.310 nan 0.000 0.453 253 M N 1.211 120.875 119.600 0.107 0.000 2.195 253 M HA -0.105 4.375 4.480 0.000 0.000 0.260 253 M C 2.389 178.870 176.300 0.302 0.000 1.066 253 M CA 1.558 56.945 55.300 0.145 0.000 1.089 253 M CB -0.881 31.780 32.600 0.102 0.000 1.377 253 M HN 0.476 nan 8.290 nan 0.000 0.411 254 G N 0.028 108.971 108.800 0.238 0.000 2.394 254 G HA2 -0.161 3.799 3.960 0.000 0.000 0.215 254 G HA3 -0.161 3.799 3.960 0.000 0.000 0.215 254 G C 1.322 176.411 174.900 0.315 0.000 1.165 254 G CA 0.514 45.779 45.100 0.274 0.000 0.784 254 G HN 0.491 nan 8.290 nan 0.000 0.535 255 E N -0.493 119.827 120.200 0.200 0.000 2.153 255 E HA -0.185 4.165 4.350 0.000 0.000 0.194 255 E C 1.944 178.611 176.600 0.112 0.000 0.988 255 E CA 0.790 57.269 56.400 0.133 0.000 0.811 255 E CB -0.298 29.452 29.700 0.083 0.000 0.746 255 E HN 0.600 nan 8.360 nan 0.000 0.466 256 Y N 0.535 120.839 120.300 0.007 0.000 2.132 256 Y HA -0.332 4.218 4.550 0.000 0.000 0.280 256 Y C 1.666 177.437 175.900 -0.215 0.000 1.193 256 Y CA 1.854 59.861 58.100 -0.156 0.000 1.157 256 Y CB -0.298 37.978 38.460 -0.306 0.000 0.966 256 Y HN -0.032 nan 8.280 nan 0.000 0.511 257 F N -0.387 119.566 119.950 0.005 0.000 2.270 257 F HA 0.032 4.559 4.527 0.000 0.000 0.295 257 F C 2.698 178.412 175.800 -0.143 0.000 1.087 257 F CA 1.357 59.303 58.000 -0.091 0.000 1.365 257 F CB -0.709 38.319 39.000 0.047 0.000 1.056 257 F HN -0.120 nan 8.300 nan 0.000 0.506 258 R N 0.818 121.380 120.500 0.104 0.000 2.080 258 R HA -0.185 4.155 4.340 0.000 0.000 0.236 258 R C 1.324 177.592 176.300 -0.053 0.000 1.137 258 R CA 2.279 58.385 56.100 0.009 0.000 0.943 258 R CB -0.464 29.858 30.300 0.035 0.000 0.846 258 R HN 0.138 nan 8.270 nan 0.000 0.431 259 D N -0.079 120.278 120.400 -0.072 0.000 2.363 259 D HA -0.037 4.603 4.640 0.000 0.000 0.220 259 D C 0.350 176.570 176.300 -0.134 0.000 0.994 259 D CA 0.601 54.557 54.000 -0.074 0.000 0.890 259 D CB -0.030 40.730 40.800 -0.066 0.000 0.906 259 D HN 0.232 nan 8.370 nan 0.000 0.530 260 N N -0.129 118.434 118.700 -0.227 0.000 2.321 260 N HA 0.149 4.889 4.740 0.000 0.000 0.242 260 N C 0.904 176.309 175.510 -0.175 0.000 1.141 260 N CA 0.169 53.055 53.050 -0.274 0.000 0.864 260 N CB 1.273 39.429 38.487 -0.551 0.000 1.100 260 N HN 0.093 nan 8.380 nan 0.000 0.510 261 G N 0.919 109.641 108.800 -0.129 0.000 2.153 261 G HA2 -0.293 3.667 3.960 0.000 0.000 0.252 261 G HA3 -0.293 3.667 3.960 0.000 0.000 0.252 261 G C 0.207 175.026 174.900 -0.135 0.000 0.994 261 G CA 0.484 45.520 45.100 -0.106 0.000 0.698 261 G HN 0.310 nan 8.290 nan 0.000 0.521 262 K N -0.651 119.661 120.400 -0.147 0.000 2.313 262 K HA 0.651 4.971 4.320 0.000 0.000 0.235 262 K C -0.547 175.905 176.600 -0.246 0.000 1.035 262 K CA -0.985 55.280 56.287 -0.035 0.000 0.868 262 K CB 1.207 33.872 32.500 0.275 0.000 1.232 262 K HN 0.282 nan 8.250 nan 0.000 0.459 263 H N -0.453 118.758 119.070 0.235 0.000 2.538 263 H HA 0.565 5.121 4.556 0.000 0.000 0.353 263 H C -1.096 174.275 175.328 0.071 0.000 1.109 263 H CA -0.707 55.406 56.048 0.108 0.000 1.192 263 H CB 2.072 31.839 29.762 0.008 0.000 1.555 263 H HN 0.690 nan 8.280 nan 0.000 0.518 264 A N 3.011 125.895 122.820 0.106 0.000 2.486 264 A HA 0.519 4.839 4.320 0.000 0.000 0.300 264 A C -1.477 176.098 177.584 -0.015 0.000 1.048 264 A CA -0.660 51.358 52.037 -0.032 0.000 0.696 264 A CB 1.961 20.913 19.000 -0.080 0.000 1.278 264 A HN 0.499 nan 8.150 nan 0.000 0.405 265 L N 2.309 123.500 121.223 -0.053 0.000 2.346 265 L HA 0.890 5.230 4.340 0.000 0.000 0.276 265 L C -1.089 175.728 176.870 -0.089 0.000 1.006 265 L CA -0.476 54.332 54.840 -0.054 0.000 0.817 265 L CB 1.363 43.396 42.059 -0.043 0.000 1.272 265 L HN 0.730 nan 8.230 nan 0.000 0.421 266 I N 4.830 125.309 120.570 -0.152 0.000 2.608 266 I HA 0.547 4.717 4.170 0.000 0.000 0.295 266 I C -1.347 174.507 176.117 -0.438 0.000 1.049 266 I CA -0.690 60.431 61.300 -0.298 0.000 1.063 266 I CB 1.832 39.595 38.000 -0.396 0.000 1.248 266 I HN 0.668 nan 8.210 nan 0.000 0.424 267 I N 7.246 127.541 120.570 -0.458 0.000 2.389 267 I HA 0.268 4.438 4.170 0.000 0.000 0.288 267 I C -1.309 174.448 176.117 -0.600 0.000 0.999 267 I CA -0.337 60.718 61.300 -0.407 0.000 1.129 267 I CB 1.395 39.313 38.000 -0.137 0.000 1.288 267 I HN 0.408 nan 8.210 nan 0.000 0.444 268 Y N 4.393 124.554 120.300 -0.232 0.000 2.595 268 Y HA 0.290 4.840 4.550 0.000 0.000 0.336 268 Y C 0.023 175.763 175.900 -0.267 0.000 0.996 268 Y CA -0.619 57.317 58.100 -0.273 0.000 1.260 268 Y CB 0.593 38.897 38.460 -0.261 0.000 1.108 268 Y HN 0.407 nan 8.280 nan 0.000 0.509 269 D N 4.072 124.325 120.400 -0.245 0.000 2.462 269 D HA 0.177 4.817 4.640 0.000 0.000 0.249 269 D C -1.318 174.917 176.300 -0.108 0.000 1.117 269 D CA -0.376 53.506 54.000 -0.196 0.000 0.900 269 D CB 0.336 40.943 40.800 -0.322 0.000 1.039 269 D HN 0.710 nan 8.370 nan 0.000 0.516 270 D N 0.497 120.871 120.400 -0.043 0.000 2.581 270 D HA 0.231 4.871 4.640 0.000 0.000 0.232 270 D C 1.026 177.300 176.300 -0.043 0.000 1.143 270 D CA -0.744 53.233 54.000 -0.038 0.000 0.881 270 D CB 1.233 42.026 40.800 -0.012 0.000 1.500 270 D HN 0.046 nan 8.370 nan 0.000 0.458 271 L N 0.318 121.479 121.223 -0.102 0.000 2.217 271 L HA -0.064 4.276 4.340 0.000 0.000 0.211 271 L C 1.942 178.806 176.870 -0.011 0.000 1.107 271 L CA 0.659 55.385 54.840 -0.191 0.000 0.783 271 L CB -0.429 41.289 42.059 -0.569 0.000 0.919 271 L HN 0.468 nan 8.230 nan 0.000 0.442 272 S N 0.345 116.056 115.700 0.019 0.000 2.359 272 S HA -0.231 4.239 4.470 0.000 0.000 0.223 272 S C 1.953 176.631 174.600 0.129 0.000 1.039 272 S CA 1.562 59.815 58.200 0.088 0.000 1.042 272 S CB -0.129 63.114 63.200 0.072 0.000 0.915 272 S HN 0.399 nan 8.310 nan 0.000 0.439 273 K N 0.782 121.239 120.400 0.095 0.000 2.148 273 K HA -0.063 4.257 4.320 0.000 0.000 0.204 273 K C 2.471 179.154 176.600 0.138 0.000 1.050 273 K CA 0.804 57.155 56.287 0.106 0.000 0.942 273 K CB -0.151 32.394 32.500 0.074 0.000 0.724 273 K HN 0.354 nan 8.250 nan 0.000 0.446 274 Q N 0.839 120.719 119.800 0.134 0.000 2.084 274 Q HA -0.152 4.188 4.340 0.000 0.000 0.202 274 Q C 2.060 178.223 176.000 0.271 0.000 0.978 274 Q CA 1.552 57.464 55.803 0.182 0.000 0.844 274 Q CB -0.078 28.732 28.738 0.121 0.000 0.898 274 Q HN 0.308 nan 8.270 nan 0.000 0.426 275 A N 0.217 123.210 122.820 0.289 0.000 1.940 275 A HA -0.148 4.172 4.320 0.000 0.000 0.219 275 A C 2.274 180.104 177.584 0.411 0.000 1.176 275 A CA 1.553 53.779 52.037 0.314 0.000 0.631 275 A CB -0.822 18.281 19.000 0.172 0.000 0.814 275 A HN 0.291 nan 8.150 nan 0.000 0.446 276 V N -0.046 120.061 119.914 0.321 0.000 2.219 276 V HA -0.349 3.771 4.120 0.000 0.000 0.248 276 V C 3.091 179.281 176.094 0.160 0.000 1.053 276 V CA 2.310 64.734 62.300 0.207 0.000 1.009 276 V CB -1.432 30.477 31.823 0.144 0.000 0.636 276 V HN 0.654 nan 8.190 nan 0.000 0.445 277 A N -1.244 121.684 122.820 0.180 0.000 1.927 277 A HA -0.334 3.986 4.320 0.000 0.000 0.220 277 A C 2.168 179.858 177.584 0.177 0.000 1.185 277 A CA 2.586 54.726 52.037 0.171 0.000 0.639 277 A CB -0.888 18.244 19.000 0.219 0.000 0.820 277 A HN 0.668 nan 8.150 nan 0.000 0.451 278 Y N 0.188 120.556 120.300 0.113 0.000 2.200 278 Y HA -0.170 4.380 4.550 -0.000 0.000 0.290 278 Y C 2.539 178.449 175.900 0.017 0.000 1.137 278 Y CA 1.926 60.053 58.100 0.044 0.000 1.163 278 Y CB -0.461 38.069 38.460 0.117 0.000 0.988 278 Y HN 0.377 nan 8.280 nan 0.000 0.518 279 R N 0.280 120.808 120.500 0.047 0.000 2.083 279 R HA -0.273 4.067 4.340 0.000 0.000 0.237 279 R C 2.472 178.684 176.300 -0.147 0.000 1.137 279 R CA 2.121 58.172 56.100 -0.082 0.000 0.951 279 R CB -0.522 29.694 30.300 -0.139 0.000 0.851 279 R HN 0.546 nan 8.270 nan 0.000 0.434 280 Q N 0.191 119.935 119.800 -0.094 0.000 2.077 280 Q HA -0.244 4.097 4.340 0.000 0.000 0.206 280 Q C 2.088 178.007 176.000 -0.135 0.000 0.989 280 Q CA 2.346 58.094 55.803 -0.092 0.000 0.853 280 Q CB -0.104 28.608 28.738 -0.044 0.000 0.907 280 Q HN 0.464 nan 8.270 nan 0.000 0.418 281 M N -0.141 119.348 119.600 -0.184 0.000 2.117 281 M HA -0.162 4.318 4.480 0.000 0.000 0.262 281 M C 2.331 178.459 176.300 -0.287 0.000 1.065 281 M CA 1.717 56.870 55.300 -0.246 0.000 1.114 281 M CB -0.023 32.377 32.600 -0.333 0.000 1.361 281 M HN 0.130 nan 8.290 nan 0.000 0.408 282 S N 0.695 116.167 115.700 -0.380 0.000 2.368 282 S HA -0.032 4.439 4.470 0.000 0.000 0.224 282 S C 1.868 176.359 174.600 -0.183 0.000 1.029 282 S CA 1.083 59.086 58.200 -0.329 0.000 0.988 282 S CB -0.416 62.556 63.200 -0.380 0.000 0.838 282 S HN 0.384 nan 8.310 nan 0.000 0.462 283 L N 0.977 122.108 121.223 -0.153 0.000 2.217 283 L HA 0.025 4.365 4.340 0.000 0.000 0.211 283 L C 2.087 178.902 176.870 -0.092 0.000 1.107 283 L CA 0.723 55.500 54.840 -0.104 0.000 0.783 283 L CB -0.442 41.559 42.059 -0.096 0.000 0.919 283 L HN 0.275 nan 8.230 nan 0.000 0.442 284 L N -0.759 120.402 121.223 -0.105 0.000 2.156 284 L HA -0.166 4.174 4.340 0.000 0.000 0.208 284 L C 2.215 179.035 176.870 -0.084 0.000 1.095 284 L CA 0.894 55.682 54.840 -0.087 0.000 0.770 284 L CB -0.217 41.788 42.059 -0.090 0.000 0.914 284 L HN 0.268 nan 8.230 nan 0.000 0.439 285 L N -0.488 120.673 121.223 -0.104 0.000 2.552 285 L HA -0.016 4.324 4.340 0.000 0.000 0.227 285 L C 0.840 177.670 176.870 -0.066 0.000 1.146 285 L CA 0.395 55.182 54.840 -0.088 0.000 0.858 285 L CB -0.133 41.859 42.059 -0.112 0.000 0.969 285 L HN 0.280 nan 8.230 nan 0.000 0.451 286 R N -0.959 119.501 120.500 -0.066 0.000 3.872 286 R HA -0.120 4.220 4.340 0.000 0.000 0.341 286 R C -0.308 175.968 176.300 -0.041 0.000 1.172 286 R CA 0.146 56.217 56.100 -0.048 0.000 0.901 286 R CB -1.667 28.611 30.300 -0.036 0.000 1.422 286 R HN 0.213 nan 8.270 nan 0.000 0.523 287 R N 1.303 121.771 120.500 -0.053 0.000 2.537 287 R HA 0.117 4.457 4.340 0.000 0.000 0.280 287 R C -2.138 174.149 176.300 -0.020 0.000 1.058 287 R CA -1.764 54.315 56.100 -0.036 0.000 1.057 287 R CB -0.037 30.231 30.300 -0.054 0.000 0.973 287 R HN -0.071 nan 8.270 nan 0.000 0.438 288 P HA 0.022 nan 4.420 nan 0.000 0.257 288 P C -2.133 175.178 177.300 0.019 0.000 1.189 288 P CA -0.647 62.457 63.100 0.006 0.000 0.780 288 P CB -0.024 31.685 31.700 0.015 0.000 0.772 289 P HA 0.077 nan 4.420 nan 0.000 0.267 289 P C 0.452 177.777 177.300 0.041 0.000 1.205 289 P CA 0.401 63.513 63.100 0.020 0.000 0.765 289 P CB 0.991 32.687 31.700 -0.007 0.000 0.828 290 G N 3.027 111.880 108.800 0.088 0.000 2.940 290 G HA2 0.288 4.249 3.960 0.000 0.000 0.164 290 G HA3 0.288 4.249 3.960 0.000 0.000 0.164 290 G C -0.454 174.483 174.900 0.061 0.000 1.326 290 G CA -0.905 44.239 45.100 0.073 0.000 1.020 290 G HN 0.520 nan 8.290 nan 0.000 0.586 291 R N 0.719 121.202 120.500 -0.029 0.000 2.488 291 R HA 0.047 4.387 4.340 0.000 0.000 0.317 291 R C -0.103 176.300 176.300 0.172 0.000 0.941 291 R CA 0.951 57.001 56.100 -0.084 0.000 1.076 291 R CB -0.490 29.519 30.300 -0.484 0.000 0.917 291 R HN 0.700 nan 8.270 nan 0.000 0.407 292 E N 2.702 122.983 120.200 0.136 0.000 2.513 292 E HA -0.315 4.035 4.350 0.000 0.000 0.257 292 E C 0.323 176.932 176.600 0.016 0.000 1.098 292 E CA 0.387 56.879 56.400 0.153 0.000 0.752 292 E CB -1.421 28.482 29.700 0.339 0.000 1.324 292 E HN 0.917 nan 8.360 nan 0.000 0.403 293 A N -1.929 120.897 122.820 0.011 0.000 3.132 293 A HA -0.324 3.996 4.320 0.000 0.000 0.266 293 A C 0.134 177.678 177.584 -0.067 0.000 1.216 293 A CA 1.915 53.919 52.037 -0.055 0.000 0.985 293 A CB -2.090 16.839 19.000 -0.118 0.000 1.102 293 A HN 0.489 nan 8.150 nan 0.000 0.833 294 Y N 0.766 121.149 120.300 0.138 0.000 2.346 294 Y HA 0.421 4.971 4.550 0.000 0.000 0.330 294 Y C -1.219 174.783 175.900 0.170 0.000 1.178 294 Y CA -1.146 57.055 58.100 0.170 0.000 1.331 294 Y CB 0.504 39.123 38.460 0.265 0.000 1.253 294 Y HN 0.258 nan 8.280 nan 0.000 0.529 295 P HA 0.036 nan 4.420 nan 0.000 0.276 295 P C 0.593 178.048 177.300 0.259 0.000 1.244 295 P CA -0.089 63.131 63.100 0.199 0.000 0.801 295 P CB 1.050 32.815 31.700 0.107 0.000 1.006 296 G N 1.692 110.613 108.800 0.203 0.000 2.485 296 G HA2 -0.247 3.713 3.960 0.000 0.000 0.221 296 G HA3 -0.247 3.713 3.960 0.000 0.000 0.221 296 G C 0.686 175.732 174.900 0.244 0.000 1.115 296 G CA 0.898 46.124 45.100 0.209 0.000 0.751 296 G HN 0.650 nan 8.290 nan 0.000 0.567 297 D N 0.066 120.626 120.400 0.266 0.000 2.395 297 D HA 0.121 4.761 4.640 0.000 0.000 0.226 297 D C 1.748 178.199 176.300 0.251 0.000 1.146 297 D CA -0.380 53.803 54.000 0.306 0.000 0.830 297 D CB 0.081 41.094 40.800 0.355 0.000 0.958 297 D HN 0.111 nan 8.370 nan 0.000 0.501 298 V N -0.110 119.919 119.914 0.193 0.000 2.490 298 V HA -0.168 3.952 4.120 0.000 0.000 0.250 298 V C 1.780 177.759 176.094 -0.192 0.000 1.061 298 V CA 1.400 63.687 62.300 -0.022 0.000 1.064 298 V CB -0.688 31.057 31.823 -0.129 0.000 0.670 298 V HN 0.269 nan 8.190 nan 0.000 0.461 299 F N -0.069 119.787 119.950 -0.157 0.000 2.084 299 F HA -0.193 4.334 4.527 0.000 0.000 0.296 299 F C 2.183 177.987 175.800 0.007 0.000 1.111 299 F CA 2.269 60.209 58.000 -0.101 0.000 1.224 299 F CB -0.735 38.260 39.000 -0.009 0.000 0.991 299 F HN 0.328 nan 8.300 nan 0.000 0.471 300 Y N 0.821 121.049 120.300 -0.121 0.000 2.207 300 Y HA -0.207 4.344 4.550 0.000 0.000 0.287 300 Y C 2.161 177.925 175.900 -0.226 0.000 1.156 300 Y CA 1.572 59.562 58.100 -0.183 0.000 1.182 300 Y CB -0.991 37.484 38.460 0.025 0.000 0.979 300 Y HN 0.247 nan 8.280 nan 0.000 0.521 301 L N -0.252 120.799 121.223 -0.287 0.000 2.043 301 L HA -0.293 4.047 4.340 0.000 0.000 0.212 301 L C 2.202 178.920 176.870 -0.254 0.000 1.075 301 L CA 2.474 57.079 54.840 -0.392 0.000 0.752 301 L CB -0.714 41.015 42.059 -0.549 0.000 0.891 301 L HN 0.387 nan 8.230 nan 0.000 0.432 302 H N -2.330 116.536 119.070 -0.339 0.000 2.451 302 H HA 0.006 4.562 4.556 0.000 0.000 0.294 302 H C 2.377 177.465 175.328 -0.400 0.000 1.028 302 H CA 0.645 56.469 56.048 -0.374 0.000 1.349 302 H CB 0.129 29.692 29.762 -0.332 0.000 1.444 302 H HN 0.509 nan 8.280 nan 0.000 0.538 303 S N 1.984 117.431 115.700 -0.421 0.000 2.359 303 S HA -0.273 4.197 4.470 0.000 0.000 0.223 303 S C 2.148 176.629 174.600 -0.197 0.000 1.039 303 S CA 1.541 59.480 58.200 -0.435 0.000 1.042 303 S CB -0.328 62.386 63.200 -0.809 0.000 0.915 303 S HN 0.551 nan 8.310 nan 0.000 0.439 304 R N 0.869 121.262 120.500 -0.177 0.000 2.115 304 R HA 0.117 4.457 4.340 0.000 0.000 0.230 304 R C 2.441 178.699 176.300 -0.070 0.000 1.111 304 R CA 1.265 57.305 56.100 -0.101 0.000 0.976 304 R CB -0.795 29.381 30.300 -0.206 0.000 0.870 304 R HN 0.493 nan 8.270 nan 0.000 0.445 305 L N 1.043 122.205 121.223 -0.102 0.000 2.056 305 L HA -0.007 4.333 4.340 0.000 0.000 0.207 305 L C 2.113 178.879 176.870 -0.173 0.000 1.078 305 L CA 1.475 56.212 54.840 -0.172 0.000 0.749 305 L CB -0.127 41.631 42.059 -0.500 0.000 0.901 305 L HN 0.197 nan 8.230 nan 0.000 0.433 306 L N -0.756 120.360 121.223 -0.179 0.000 2.240 306 L HA -0.053 4.287 4.340 0.000 0.000 0.211 306 L C 2.517 179.366 176.870 -0.035 0.000 1.106 306 L CA 0.469 55.251 54.840 -0.097 0.000 0.793 306 L CB -0.539 41.452 42.059 -0.112 0.000 0.927 306 L HN 0.264 nan 8.230 nan 0.000 0.446 307 E N 0.554 120.730 120.200 -0.040 0.000 2.219 307 E HA -0.242 4.108 4.350 0.000 0.000 0.198 307 E C 2.145 178.746 176.600 0.001 0.000 0.998 307 E CA 1.128 57.522 56.400 -0.010 0.000 0.818 307 E CB -0.047 29.652 29.700 -0.001 0.000 0.741 307 E HN 0.486 nan 8.360 nan 0.000 0.477 308 R N 0.334 120.837 120.500 0.005 0.000 2.235 308 R HA 0.066 4.406 4.340 0.000 0.000 0.213 308 R C 0.917 177.237 176.300 0.034 0.000 1.059 308 R CA 0.399 56.511 56.100 0.020 0.000 0.997 308 R CB 0.023 30.343 30.300 0.033 0.000 0.884 308 R HN -0.054 nan 8.270 nan 0.000 0.462 309 A N 1.219 124.063 122.820 0.040 0.000 2.440 309 A HA 0.605 4.925 4.320 0.000 0.000 0.251 309 A C -0.190 177.410 177.584 0.027 0.000 1.089 309 A CA 0.091 52.154 52.037 0.043 0.000 0.779 309 A CB 0.438 19.468 19.000 0.050 0.000 1.022 309 A HN 0.291 nan 8.150 nan 0.000 0.492 310 A N 2.090 124.927 122.820 0.027 0.000 2.594 310 A HA 0.619 4.939 4.320 0.000 0.000 0.296 310 A C -0.859 176.742 177.584 0.028 0.000 1.056 310 A CA -0.725 51.322 52.037 0.016 0.000 0.693 310 A CB 0.971 19.970 19.000 -0.003 0.000 1.278 310 A HN 0.964 nan 8.150 nan 0.000 0.408 311 K N 2.335 122.751 120.400 0.027 0.000 2.213 311 K HA 0.672 4.992 4.320 0.000 0.000 0.270 311 K C -0.501 176.117 176.600 0.030 0.000 1.002 311 K CA -0.316 55.998 56.287 0.045 0.000 0.868 311 K CB 0.526 33.055 32.500 0.048 0.000 1.093 311 K HN 0.607 nan 8.250 nan 0.000 0.454 312 M N 3.402 123.026 119.600 0.041 0.000 2.277 312 M HA 0.241 4.721 4.480 0.000 0.000 0.350 312 M C 0.130 176.484 176.300 0.090 0.000 1.180 312 M CA -0.924 54.404 55.300 0.047 0.000 1.103 312 M CB 0.606 33.243 32.600 0.061 0.000 1.577 312 M HN 0.758 nan 8.290 nan 0.000 0.459 313 N N 1.287 120.061 118.700 0.123 0.000 2.263 313 N HA 0.025 4.765 4.740 0.000 0.000 0.239 313 N C 0.105 175.696 175.510 0.136 0.000 1.317 313 N CA -0.128 53.001 53.050 0.131 0.000 0.909 313 N CB 0.406 38.977 38.487 0.140 0.000 1.171 313 N HN 0.431 nan 8.380 nan 0.000 0.492 314 D N -1.067 119.386 120.400 0.089 0.000 2.264 314 D HA -0.058 4.582 4.640 0.000 0.000 0.208 314 D C 1.463 177.774 176.300 0.018 0.000 0.966 314 D CA 1.212 55.243 54.000 0.051 0.000 0.864 314 D CB -0.473 40.344 40.800 0.029 0.000 0.933 314 D HN 0.701 nan 8.370 nan 0.000 0.499 315 A N -0.535 122.297 122.820 0.019 0.000 2.119 315 A HA -0.039 4.281 4.320 0.000 0.000 0.217 315 A C 1.140 178.494 177.584 -0.384 0.000 1.153 315 A CA 0.510 52.447 52.037 -0.167 0.000 0.692 315 A CB -0.363 18.519 19.000 -0.196 0.000 0.799 315 A HN 0.142 nan 8.150 nan 0.000 0.458 316 F N -1.550 118.390 119.950 -0.017 0.000 2.735 316 F HA 0.431 4.958 4.527 -0.000 0.000 0.304 316 F C 1.620 177.396 175.800 -0.041 0.000 1.119 316 F CA 0.508 58.492 58.000 -0.027 0.000 1.280 316 F CB 0.865 39.852 39.000 -0.022 0.000 0.994 316 F HN 0.314 nan 8.300 nan 0.000 0.520 317 G N -0.128 108.705 108.800 0.055 0.000 2.397 317 G HA2 -0.065 3.895 3.960 0.000 0.000 0.211 317 G HA3 -0.065 3.895 3.960 0.000 0.000 0.211 317 G C 1.252 176.163 174.900 0.019 0.000 1.077 317 G CA -0.103 45.005 45.100 0.012 0.000 0.649 317 G HN 1.081 nan 8.290 nan 0.000 0.511 318 G N -0.066 108.763 108.800 0.049 0.000 2.157 318 G HA2 0.255 4.215 3.960 0.000 0.000 0.239 318 G HA3 0.255 4.215 3.960 0.000 0.000 0.239 318 G C 1.500 176.408 174.900 0.014 0.000 0.982 318 G CA 0.994 46.131 45.100 0.062 0.000 0.650 318 G HN 2.134 nan 8.290 nan 0.000 0.527 319 G N -0.255 108.478 108.800 -0.112 0.000 2.653 319 G HA2 0.711 4.671 3.960 0.000 0.000 0.265 319 G HA3 0.711 4.671 3.960 0.000 0.000 0.265 319 G C 0.331 175.140 174.900 -0.152 0.000 1.237 319 G CA 1.022 45.909 45.100 -0.356 0.000 0.946 319 G HN 1.873 nan 8.290 nan 0.000 0.522 320 S N -1.591 114.031 115.700 -0.130 0.000 2.547 320 S HA 0.548 5.018 4.470 0.000 0.000 0.270 320 S C -1.584 173.065 174.600 0.081 0.000 1.150 320 S CA -0.834 57.409 58.200 0.072 0.000 0.850 320 S CB 1.848 65.184 63.200 0.225 0.000 1.118 320 S HN 0.809 nan 8.310 nan 0.000 0.461 321 L N 1.820 123.085 121.223 0.069 0.000 2.313 321 L HA 0.744 5.084 4.340 0.000 0.000 0.283 321 L C -0.536 176.362 176.870 0.046 0.000 1.013 321 L CA 0.228 55.105 54.840 0.061 0.000 0.816 321 L CB 1.705 43.801 42.059 0.061 0.000 1.236 321 L HN 0.970 nan 8.230 nan 0.000 0.419 322 T N 4.383 118.952 114.554 0.026 0.000 2.771 322 T HA 0.787 5.137 4.350 0.000 0.000 0.281 322 T C -0.393 174.298 174.700 -0.015 0.000 0.982 322 T CA -0.400 61.706 62.100 0.009 0.000 0.978 322 T CB 1.330 70.197 68.868 -0.003 0.000 0.930 322 T HN 0.752 nan 8.240 nan 0.000 0.447 323 A N 3.812 126.634 122.820 0.004 0.000 2.287 323 A HA 0.689 5.009 4.320 0.000 0.000 0.317 323 A C -0.289 177.299 177.584 0.006 0.000 1.220 323 A CA -0.687 51.350 52.037 0.000 0.000 0.835 323 A CB 0.325 19.404 19.000 0.131 0.000 1.180 323 A HN 0.887 nan 8.150 nan 0.000 0.500 324 L N 5.328 126.526 121.223 -0.042 0.000 2.417 324 L HA 0.315 4.655 4.340 0.000 0.000 0.258 324 L C -2.159 174.714 176.870 0.004 0.000 1.088 324 L CA -1.728 53.105 54.840 -0.012 0.000 0.975 324 L CB 1.079 43.129 42.059 -0.015 0.000 1.341 324 L HN 0.498 nan 8.230 nan 0.000 0.431 325 P HA 0.168 nan 4.420 nan 0.000 0.278 325 P C -0.575 176.727 177.300 0.004 0.000 1.238 325 P CA -0.212 62.932 63.100 0.073 0.000 0.794 325 P CB 2.097 33.804 31.700 0.012 0.000 0.955 326 V N 4.420 124.324 119.914 -0.016 0.000 2.459 326 V HA 0.398 4.518 4.120 0.000 0.000 0.295 326 V C 0.403 176.479 176.094 -0.030 0.000 1.029 326 V CA -0.600 61.692 62.300 -0.015 0.000 0.874 326 V CB 1.637 33.455 31.823 -0.008 0.000 0.985 326 V HN 0.436 nan 8.190 nan 0.000 0.438 327 I N 3.574 124.140 120.570 -0.007 0.000 2.465 327 I HA 0.415 4.585 4.170 0.000 0.000 0.291 327 I C -0.008 176.126 176.117 0.029 0.000 1.014 327 I CA -0.332 60.972 61.300 0.007 0.000 1.093 327 I CB 2.113 40.124 38.000 0.019 0.000 1.267 327 I HN 0.776 nan 8.210 nan 0.000 0.431 328 E N 5.532 125.752 120.200 0.034 0.000 2.115 328 E HA 0.320 4.670 4.350 0.000 0.000 0.282 328 E C -0.527 176.111 176.600 0.063 0.000 0.987 328 E CA -0.425 55.997 56.400 0.037 0.000 0.797 328 E CB 0.999 30.718 29.700 0.031 0.000 1.086 328 E HN 0.670 nan 8.360 nan 0.000 0.397 329 T N 2.332 116.932 114.554 0.077 0.000 2.882 329 T HA 0.230 4.580 4.350 0.000 0.000 0.287 329 T C 0.113 174.863 174.700 0.083 0.000 1.014 329 T CA -0.990 61.173 62.100 0.105 0.000 1.049 329 T CB 1.354 70.326 68.868 0.173 0.000 1.001 329 T HN 0.351 nan 8.240 nan 0.000 0.525 330 Q N 0.884 120.737 119.800 0.088 0.000 2.360 330 Q HA 0.513 4.853 4.340 0.000 0.000 0.254 330 Q C 0.481 176.526 176.000 0.076 0.000 0.975 330 Q CA 0.074 55.920 55.803 0.072 0.000 0.912 330 Q CB 0.709 29.491 28.738 0.073 0.000 1.212 330 Q HN 1.180 nan 8.270 nan 0.000 0.452 331 A N 2.581 125.440 122.820 0.066 0.000 2.667 331 A HA -0.112 4.208 4.320 0.000 0.000 0.298 331 A C 1.084 178.729 177.584 0.102 0.000 1.483 331 A CA 0.954 53.031 52.037 0.067 0.000 0.738 331 A CB -2.142 16.888 19.000 0.051 0.000 1.067 331 A HN 1.438 nan 8.150 nan 0.000 0.451 332 G N -0.472 108.422 108.800 0.156 0.000 2.337 332 G HA2 -0.204 3.756 3.960 0.000 0.000 0.290 332 G HA3 -0.204 3.756 3.960 0.000 0.000 0.290 332 G C -0.013 174.990 174.900 0.173 0.000 1.003 332 G CA 1.266 46.535 45.100 0.283 0.000 0.825 332 G HN 1.869 nan 8.290 nan 0.000 0.509 333 D N -0.217 120.256 120.400 0.122 0.000 2.441 333 D HA 0.397 5.037 4.640 0.000 0.000 0.221 333 D C 1.588 177.925 176.300 0.063 0.000 1.156 333 D CA 0.102 54.144 54.000 0.069 0.000 0.896 333 D CB 0.769 41.609 40.800 0.068 0.000 1.028 333 D HN 0.458 nan 8.370 nan 0.000 0.509 334 V N 1.150 121.065 119.914 0.003 0.000 3.541 334 V HA 0.085 4.205 4.120 0.000 0.000 0.267 334 V C 1.455 177.554 176.094 0.009 0.000 1.213 334 V CA 0.555 62.847 62.300 -0.012 0.000 1.149 334 V CB -0.012 31.727 31.823 -0.141 0.000 0.822 334 V HN 0.322 nan 8.190 nan 0.000 0.462 335 S N 0.856 116.565 115.700 0.014 0.000 2.593 335 S HA 0.548 5.018 4.470 0.000 0.000 0.217 335 S C 1.171 175.808 174.600 0.061 0.000 0.966 335 S CA 0.445 58.661 58.200 0.027 0.000 0.914 335 S CB -0.221 62.986 63.200 0.012 0.000 0.776 335 S HN 0.904 nan 8.310 nan 0.000 0.523 336 A N 0.165 123.034 122.820 0.081 0.000 2.296 336 A HA 0.446 4.766 4.320 0.000 0.000 0.264 336 A C 0.765 178.454 177.584 0.175 0.000 1.097 336 A CA -0.374 51.736 52.037 0.122 0.000 0.811 336 A CB -0.094 18.981 19.000 0.125 0.000 1.072 336 A HN 0.462 nan 8.150 nan 0.000 0.495 337 Y N 0.030 120.352 120.300 0.036 0.000 2.081 337 Y HA -0.241 4.309 4.550 0.000 0.000 0.280 337 Y C 1.784 177.671 175.900 -0.023 0.000 1.163 337 Y CA 1.835 59.941 58.100 0.009 0.000 1.135 337 Y CB 0.017 38.487 38.460 0.017 0.000 0.970 337 Y HN 0.513 nan 8.280 nan 0.000 0.498 338 I N 0.223 120.747 120.570 -0.077 0.000 2.277 338 I HA -0.120 4.050 4.170 0.000 0.000 0.243 338 I C -0.682 175.418 176.117 -0.029 0.000 1.094 338 I CA 0.842 62.020 61.300 -0.203 0.000 1.393 338 I CB -2.857 34.996 38.000 -0.245 0.000 1.078 338 I HN 0.175 nan 8.210 nan 0.000 0.417 339 P HA -0.154 nan 4.420 nan 0.000 0.214 339 P C 1.833 179.168 177.300 0.060 0.000 1.163 339 P CA 2.481 65.614 63.100 0.055 0.000 0.889 339 P CB -0.329 31.416 31.700 0.074 0.000 0.790 340 T N -3.192 111.405 114.554 0.072 0.000 2.746 340 T HA -0.149 4.201 4.350 0.000 0.000 0.267 340 T C 1.718 176.478 174.700 0.101 0.000 1.039 340 T CA 1.318 63.466 62.100 0.080 0.000 1.142 340 T CB -1.292 67.630 68.868 0.090 0.000 0.866 340 T HN -0.033 nan 8.240 nan 0.000 0.444 341 N N 1.564 120.328 118.700 0.107 0.000 2.021 341 N HA -0.108 4.632 4.740 0.000 0.000 0.198 341 N C 1.975 177.610 175.510 0.207 0.000 1.041 341 N CA 1.543 54.708 53.050 0.192 0.000 0.862 341 N CB -1.031 37.506 38.487 0.083 0.000 1.048 341 N HN 0.344 nan 8.380 nan 0.000 0.427 342 V N 1.352 121.333 119.914 0.112 0.000 2.427 342 V HA -0.119 4.001 4.120 0.000 0.000 0.248 342 V C 2.201 178.333 176.094 0.064 0.000 1.051 342 V CA 1.012 63.350 62.300 0.063 0.000 1.048 342 V CB -0.428 31.396 31.823 0.001 0.000 0.666 342 V HN 0.254 nan 8.190 nan 0.000 0.456 343 I N 1.309 121.922 120.570 0.071 0.000 2.454 343 I HA -0.182 3.988 4.170 0.000 0.000 0.254 343 I C 2.206 178.371 176.117 0.080 0.000 1.156 343 I CA 1.753 63.092 61.300 0.064 0.000 1.433 343 I CB -0.333 37.698 38.000 0.051 0.000 1.082 343 I HN 0.460 nan 8.210 nan 0.000 0.432 344 S N -0.622 115.150 115.700 0.120 0.000 2.671 344 S HA 0.238 4.708 4.470 0.000 0.000 0.220 344 S C 1.248 175.970 174.600 0.205 0.000 0.951 344 S CA 0.001 58.289 58.200 0.147 0.000 0.932 344 S CB -0.198 63.088 63.200 0.142 0.000 0.777 344 S HN 0.429 nan 8.310 nan 0.000 0.508 345 I N 0.793 121.451 120.570 0.146 0.000 4.046 345 I HA 0.093 4.263 4.170 0.000 0.000 0.285 345 I C 1.249 177.397 176.117 0.051 0.000 1.183 345 I CA 0.493 61.852 61.300 0.097 0.000 1.337 345 I CB 0.205 38.215 38.000 0.017 0.000 1.478 345 I HN 0.338 nan 8.210 nan 0.000 0.452 346 T N -1.622 112.955 114.554 0.039 0.000 2.754 346 T HA 0.134 4.484 4.350 0.000 0.000 0.286 346 T C 0.103 174.825 174.700 0.036 0.000 0.997 346 T CA -0.348 61.769 62.100 0.029 0.000 0.982 346 T CB 0.677 69.558 68.868 0.022 0.000 1.027 346 T HN -0.005 nan 8.240 nan 0.000 0.529 347 D N 0.750 121.170 120.400 0.032 0.000 3.071 347 D HA 0.456 5.096 4.640 0.000 0.000 0.259 347 D C 0.890 177.209 176.300 0.032 0.000 1.331 347 D CA 0.296 54.315 54.000 0.031 0.000 0.861 347 D CB -0.281 40.535 40.800 0.026 0.000 1.059 347 D HN 1.045 nan 8.370 nan 0.000 0.486 348 G N 0.902 109.724 108.800 0.036 0.000 2.423 348 G HA2 0.034 3.994 3.960 0.000 0.000 0.684 348 G HA3 0.034 3.994 3.960 0.000 0.000 0.684 348 G C -1.451 173.478 174.900 0.048 0.000 1.309 348 G CA -1.086 44.038 45.100 0.040 0.000 0.950 348 G HN 0.131 nan 8.290 nan 0.000 0.587 349 Q N -1.142 118.695 119.800 0.061 0.000 2.340 349 Q HA 0.690 5.030 4.340 0.000 0.000 0.276 349 Q C -0.484 175.576 176.000 0.100 0.000 1.048 349 Q CA -0.584 55.268 55.803 0.082 0.000 0.832 349 Q CB 2.293 31.092 28.738 0.103 0.000 1.373 349 Q HN 0.714 nan 8.270 nan 0.000 0.409 350 I N 2.169 122.799 120.570 0.099 0.000 2.312 350 I HA 0.307 4.477 4.170 0.000 0.000 0.291 350 I C -0.798 175.416 176.117 0.161 0.000 1.031 350 I CA -0.426 60.938 61.300 0.106 0.000 1.293 350 I CB 0.367 38.405 38.000 0.063 0.000 1.403 350 I HN 0.491 nan 8.210 nan 0.000 0.484 351 F N 7.900 127.870 119.950 0.033 0.000 2.404 351 F HA 0.532 5.059 4.527 0.000 0.000 0.354 351 F C -0.734 175.092 175.800 0.043 0.000 1.122 351 F CA -0.647 57.373 58.000 0.034 0.000 1.080 351 F CB 0.693 39.714 39.000 0.034 0.000 1.131 351 F HN 0.199 nan 8.300 nan 0.000 0.471 352 L N 6.369 127.146 121.223 -0.743 0.000 2.276 352 L HA 0.375 4.715 4.340 0.000 0.000 0.286 352 L C -0.190 176.198 176.870 -0.803 0.000 1.024 352 L CA -0.537 53.975 54.840 -0.548 0.000 0.826 352 L CB 1.286 43.177 42.059 -0.280 0.000 1.211 352 L HN 0.575 nan 8.230 nan 0.000 0.422 353 E N 1.499 121.440 120.200 -0.431 0.000 2.259 353 E HA 0.123 4.473 4.350 0.000 0.000 0.281 353 E C 0.458 177.045 176.600 -0.021 0.000 1.027 353 E CA -0.271 56.017 56.400 -0.186 0.000 0.838 353 E CB 1.869 31.613 29.700 0.074 0.000 1.066 353 E HN 0.535 nan 8.360 nan 0.000 0.401 354 T N 2.704 117.255 114.554 -0.004 0.000 2.720 354 T HA -0.224 4.126 4.350 0.000 0.000 0.268 354 T C 1.569 176.381 174.700 0.187 0.000 1.037 354 T CA 1.447 63.590 62.100 0.071 0.000 1.144 354 T CB -0.012 68.877 68.868 0.036 0.000 0.864 354 T HN 0.551 nan 8.240 nan 0.000 0.444 355 E N 0.455 120.739 120.200 0.139 0.000 2.038 355 E HA -0.130 4.221 4.350 0.000 0.000 0.195 355 E C 2.221 178.943 176.600 0.203 0.000 1.000 355 E CA 1.022 57.514 56.400 0.154 0.000 0.803 355 E CB -0.214 29.548 29.700 0.105 0.000 0.750 355 E HN 0.431 nan 8.360 nan 0.000 0.448 356 L N -0.074 121.250 121.223 0.167 0.000 2.012 356 L HA -0.192 4.148 4.340 0.000 0.000 0.210 356 L C 2.528 179.494 176.870 0.160 0.000 1.073 356 L CA 1.300 56.227 54.840 0.145 0.000 0.748 356 L CB -0.490 41.640 42.059 0.118 0.000 0.891 356 L HN 0.240 nan 8.230 nan 0.000 0.431 357 F N -0.636 119.346 119.950 0.052 0.000 2.171 357 F HA -0.292 4.235 4.527 0.000 0.000 0.300 357 F C 2.526 178.367 175.800 0.068 0.000 1.090 357 F CA 1.337 59.360 58.000 0.038 0.000 1.293 357 F CB -0.260 38.753 39.000 0.021 0.000 1.013 357 F HN -0.016 nan 8.300 nan 0.000 0.486 358 Y N 1.511 121.927 120.300 0.194 0.000 2.114 358 Y HA -0.190 4.360 4.550 0.000 0.000 0.284 358 Y C 2.089 177.987 175.900 -0.004 0.000 1.143 358 Y CA 1.954 60.118 58.100 0.107 0.000 1.135 358 Y CB -0.512 38.015 38.460 0.112 0.000 0.980 358 Y HN -0.079 nan 8.280 nan 0.000 0.499 359 K N -0.099 120.363 120.400 0.103 0.000 2.574 359 K HA 0.032 4.352 4.320 0.000 0.000 0.193 359 K C 1.336 177.872 176.600 -0.106 0.000 1.035 359 K CA 0.735 57.025 56.287 0.004 0.000 0.982 359 K CB -0.532 32.022 32.500 0.090 0.000 0.795 359 K HN 0.646 nan 8.250 nan 0.000 0.491 360 G N 1.793 110.475 108.800 -0.198 0.000 2.179 360 G HA2 -0.281 3.679 3.960 0.000 0.000 0.260 360 G HA3 -0.281 3.679 3.960 0.000 0.000 0.260 360 G C 0.234 175.020 174.900 -0.189 0.000 0.977 360 G CA -0.182 44.766 45.100 -0.254 0.000 0.641 360 G HN 0.311 nan 8.290 nan 0.000 0.533 361 I N 1.215 121.721 120.570 -0.108 0.000 2.581 361 I HA 0.308 4.478 4.170 0.000 0.000 0.285 361 I C 0.856 176.933 176.117 -0.066 0.000 1.129 361 I CA 0.476 61.744 61.300 -0.053 0.000 1.397 361 I CB 0.342 38.348 38.000 0.009 0.000 1.399 361 I HN 0.109 nan 8.210 nan 0.000 0.537 362 R N 7.614 128.073 120.500 -0.067 0.000 2.522 362 R HA 0.359 4.699 4.340 0.000 0.000 0.283 362 R C -2.665 173.618 176.300 -0.028 0.000 1.074 362 R CA -1.673 54.392 56.100 -0.059 0.000 0.925 362 R CB 2.098 32.311 30.300 -0.145 0.000 1.205 362 R HN 0.287 nan 8.270 nan 0.000 0.436 363 P HA -0.002 nan 4.420 nan 0.000 0.268 363 P C -0.402 176.930 177.300 0.053 0.000 1.204 363 P CA -0.090 63.032 63.100 0.036 0.000 0.768 363 P CB 0.947 32.665 31.700 0.031 0.000 0.842 364 A N 4.861 127.742 122.820 0.102 0.000 3.074 364 A HA 0.183 4.503 4.320 0.000 0.000 0.251 364 A C 0.696 178.310 177.584 0.051 0.000 1.695 364 A CA -0.342 51.757 52.037 0.103 0.000 1.343 364 A CB -1.462 17.667 19.000 0.216 0.000 1.078 364 A HN 0.499 nan 8.150 nan 0.000 0.644 365 I N 1.549 122.150 120.570 0.051 0.000 2.379 365 I HA 0.024 4.195 4.170 0.000 0.000 0.290 365 I C 0.492 176.664 176.117 0.092 0.000 1.063 365 I CA -0.351 60.983 61.300 0.056 0.000 1.351 365 I CB 0.600 38.634 38.000 0.058 0.000 1.410 365 I HN 0.418 nan 8.210 nan 0.000 0.505 366 N N 6.530 125.311 118.700 0.136 0.000 2.405 366 N HA 0.050 4.790 4.740 0.000 0.000 0.260 366 N C 0.710 176.321 175.510 0.168 0.000 1.152 366 N CA 0.034 53.202 53.050 0.197 0.000 0.948 366 N CB 1.489 40.198 38.487 0.370 0.000 1.111 366 N HN 0.386 nan 8.380 nan 0.000 0.485 367 V N 4.133 124.122 119.914 0.124 0.000 2.323 367 V HA -0.100 4.020 4.120 0.000 0.000 0.244 367 V C 2.417 178.565 176.094 0.090 0.000 1.041 367 V CA 2.078 64.437 62.300 0.099 0.000 1.025 367 V CB -1.004 30.870 31.823 0.085 0.000 0.656 367 V HN 0.778 nan 8.190 nan 0.000 0.451 368 G N 0.226 109.077 108.800 0.085 0.000 2.469 368 G HA2 -0.219 3.741 3.960 0.000 0.000 0.220 368 G HA3 -0.219 3.741 3.960 0.000 0.000 0.220 368 G C 1.409 176.337 174.900 0.046 0.000 1.136 368 G CA 1.023 46.158 45.100 0.059 0.000 0.759 368 G HN 0.526 nan 8.290 nan 0.000 0.562 369 L N 0.727 121.987 121.223 0.062 0.000 2.607 369 L HA 0.248 4.588 4.340 0.000 0.000 0.228 369 L C 0.440 177.346 176.870 0.060 0.000 1.123 369 L CA -0.241 54.609 54.840 0.017 0.000 0.890 369 L CB 0.309 42.322 42.059 -0.076 0.000 1.103 369 L HN -0.011 nan 8.230 nan 0.000 0.468 370 S N 0.722 116.481 115.700 0.098 0.000 2.489 370 S HA 0.654 5.124 4.470 0.000 0.000 0.291 370 S C -0.182 174.457 174.600 0.066 0.000 1.151 370 S CA -0.580 57.682 58.200 0.103 0.000 1.082 370 S CB 2.174 65.445 63.200 0.117 0.000 1.019 370 S HN 0.055 nan 8.310 nan 0.000 0.492 371 V N -0.033 119.916 119.914 0.058 0.000 3.049 371 V HA 0.818 4.938 4.120 0.000 0.000 0.309 371 V C -0.455 175.665 176.094 0.042 0.000 1.148 371 V CA -0.843 61.483 62.300 0.044 0.000 0.990 371 V CB 1.839 33.682 31.823 0.034 0.000 1.039 371 V HN 0.690 nan 8.190 nan 0.000 0.430 372 S N 1.474 117.194 115.700 0.035 0.000 2.566 372 S HA 0.485 4.955 4.470 0.000 0.000 0.324 372 S C 0.748 175.363 174.600 0.025 0.000 1.081 372 S CA -0.725 57.493 58.200 0.030 0.000 1.105 372 S CB 1.154 64.370 63.200 0.027 0.000 0.981 372 S HN 0.797 nan 8.310 nan 0.000 0.464 373 R N 2.524 123.039 120.500 0.025 0.000 2.189 373 R HA 0.025 4.365 4.340 0.000 0.000 0.218 373 R C 1.257 177.568 176.300 0.020 0.000 1.074 373 R CA 1.434 57.547 56.100 0.023 0.000 0.991 373 R CB -0.046 30.269 30.300 0.024 0.000 0.883 373 R HN 0.630 nan 8.270 nan 0.000 0.457 374 V N -5.870 114.055 119.914 0.018 0.000 3.392 374 V HA 0.380 4.500 4.120 0.000 0.000 0.294 374 V C 1.224 177.325 176.094 0.011 0.000 1.561 374 V CA 0.363 62.672 62.300 0.015 0.000 1.056 374 V CB 0.744 32.577 31.823 0.015 0.000 0.882 374 V HN 0.112 nan 8.190 nan 0.000 0.440 375 G N 0.538 109.345 108.800 0.012 0.000 2.623 375 G HA2 -0.109 3.851 3.960 0.000 0.000 0.214 375 G HA3 -0.109 3.851 3.960 0.000 0.000 0.214 375 G C 1.460 176.364 174.900 0.007 0.000 1.138 375 G CA 1.099 46.203 45.100 0.008 0.000 0.794 375 G HN 0.539 nan 8.290 nan 0.000 0.535 376 S N 0.808 116.514 115.700 0.010 0.000 2.400 376 S HA -0.002 4.468 4.470 0.000 0.000 0.232 376 S C 2.593 177.197 174.600 0.007 0.000 1.025 376 S CA 1.613 59.820 58.200 0.011 0.000 0.993 376 S CB -0.276 62.931 63.200 0.013 0.000 0.808 376 S HN 0.479 nan 8.310 nan 0.000 0.478 377 A N 0.150 122.973 122.820 0.005 0.000 2.066 377 A HA 0.516 4.836 4.320 0.000 0.000 0.218 377 A C 1.758 179.339 177.584 -0.004 0.000 1.157 377 A CA 1.113 53.152 52.037 0.002 0.000 0.670 377 A CB -0.507 18.496 19.000 0.004 0.000 0.804 377 A HN 0.741 nan 8.150 nan 0.000 0.453 378 A N -0.705 122.110 122.820 -0.008 0.000 2.713 378 A HA 0.439 4.759 4.320 0.000 0.000 0.296 378 A C 0.326 177.897 177.584 -0.021 0.000 1.255 378 A CA -0.214 51.810 52.037 -0.021 0.000 0.955 378 A CB -0.256 18.726 19.000 -0.031 0.000 1.149 378 A HN 0.490 nan 8.150 nan 0.000 0.538 379 Q N 1.393 121.187 119.800 -0.009 0.000 2.307 379 Q HA 0.409 4.749 4.340 0.000 0.000 0.262 379 Q C -0.030 175.969 176.000 -0.001 0.000 0.961 379 Q CA -0.496 55.306 55.803 -0.003 0.000 0.882 379 Q CB 1.069 29.811 28.738 0.007 0.000 1.264 379 Q HN 0.484 nan 8.270 nan 0.000 0.446 380 T N 1.140 115.694 114.554 -0.000 0.000 2.946 380 T HA -0.052 4.298 4.350 0.000 0.000 0.312 380 T C 0.952 175.658 174.700 0.011 0.000 1.066 380 T CA -0.263 61.839 62.100 0.003 0.000 1.138 380 T CB 0.834 69.707 68.868 0.008 0.000 1.014 380 T HN 0.796 nan 8.240 nan 0.000 0.544 381 R N 2.829 123.335 120.500 0.010 0.000 2.105 381 R HA -0.072 4.268 4.340 0.000 0.000 0.239 381 R C 2.494 178.808 176.300 0.022 0.000 1.135 381 R CA 2.074 58.183 56.100 0.015 0.000 0.967 381 R CB -1.330 28.977 30.300 0.012 0.000 0.861 381 R HN 0.882 nan 8.270 nan 0.000 0.442 382 A N 0.168 123.000 122.820 0.020 0.000 1.908 382 A HA -0.185 4.135 4.320 0.000 0.000 0.218 382 A C 2.154 179.761 177.584 0.039 0.000 1.181 382 A CA 1.896 53.949 52.037 0.026 0.000 0.627 382 A CB -0.597 18.412 19.000 0.015 0.000 0.818 382 A HN 0.475 nan 8.150 nan 0.000 0.445 383 M N -0.160 119.460 119.600 0.034 0.000 2.132 383 M HA -0.039 4.441 4.480 0.000 0.000 0.263 383 M C 1.817 178.141 176.300 0.040 0.000 1.065 383 M CA 1.834 57.158 55.300 0.040 0.000 1.122 383 M CB -0.518 32.102 32.600 0.032 0.000 1.365 383 M HN 0.340 nan 8.290 nan 0.000 0.411 384 K N -0.470 119.950 120.400 0.032 0.000 2.160 384 K HA -0.223 4.097 4.320 0.000 0.000 0.206 384 K C 2.054 178.675 176.600 0.036 0.000 1.047 384 K CA 1.830 58.135 56.287 0.030 0.000 0.930 384 K CB -0.157 32.356 32.500 0.023 0.000 0.720 384 K HN 0.579 nan 8.250 nan 0.000 0.450 385 Q N -0.338 119.490 119.800 0.045 0.000 2.311 385 Q HA -0.078 4.262 4.340 0.000 0.000 0.203 385 Q C 1.891 177.932 176.000 0.068 0.000 0.954 385 Q CA 1.088 56.924 55.803 0.055 0.000 0.885 385 Q CB 0.465 29.242 28.738 0.065 0.000 0.963 385 Q HN 0.278 nan 8.270 nan 0.000 0.471 386 V N -4.614 115.346 119.914 0.077 0.000 3.263 386 V HA 0.301 4.421 4.120 0.000 0.000 0.248 386 V C 1.774 177.897 176.094 0.048 0.000 1.145 386 V CA 0.804 63.152 62.300 0.080 0.000 1.107 386 V CB -0.044 31.856 31.823 0.128 0.000 0.797 386 V HN 0.140 nan 8.190 nan 0.000 0.467 387 A N 1.598 124.445 122.820 0.044 0.000 1.935 387 A HA 0.280 4.600 4.320 0.000 0.000 0.214 387 A C 2.270 179.869 177.584 0.025 0.000 1.178 387 A CA 1.357 53.414 52.037 0.033 0.000 0.640 387 A CB -1.198 17.822 19.000 0.034 0.000 0.825 387 A HN 0.613 nan 8.150 nan 0.000 0.447 388 G N 0.092 108.907 108.800 0.025 0.000 2.440 388 G HA2 -0.241 3.719 3.960 0.000 0.000 0.218 388 G HA3 -0.241 3.719 3.960 0.000 0.000 0.218 388 G C 1.687 176.596 174.900 0.014 0.000 1.154 388 G CA 2.061 47.172 45.100 0.020 0.000 0.767 388 G HN 0.641 nan 8.290 nan 0.000 0.552 389 T N -1.806 112.754 114.554 0.011 0.000 2.985 389 T HA 0.107 4.457 4.350 0.000 0.000 0.266 389 T C 2.270 176.968 174.700 -0.004 0.000 1.076 389 T CA 1.100 63.200 62.100 0.000 0.000 1.135 389 T CB -0.060 68.802 68.868 -0.010 0.000 0.890 389 T HN 0.229 nan 8.240 nan 0.000 0.480 390 M N 0.875 120.476 119.600 0.001 0.000 2.156 390 M HA 0.050 4.530 4.480 0.000 0.000 0.264 390 M C 2.534 178.838 176.300 0.007 0.000 1.067 390 M CA 1.440 56.738 55.300 -0.003 0.000 1.131 390 M CB -0.198 32.403 32.600 0.002 0.000 1.368 390 M HN 0.158 nan 8.290 nan 0.000 0.416 391 K N 0.450 120.860 120.400 0.017 0.000 2.063 391 K HA -0.234 4.086 4.320 0.000 0.000 0.208 391 K C 1.911 178.527 176.600 0.027 0.000 1.048 391 K CA 1.652 57.953 56.287 0.025 0.000 0.928 391 K CB -0.423 32.093 32.500 0.026 0.000 0.713 391 K HN 0.364 nan 8.250 nan 0.000 0.442 392 L N 1.819 123.054 121.223 0.019 0.000 2.056 392 L HA -0.102 4.238 4.340 0.000 0.000 0.207 392 L C 1.756 178.640 176.870 0.024 0.000 1.078 392 L CA 1.807 56.659 54.840 0.019 0.000 0.749 392 L CB -0.310 41.756 42.059 0.011 0.000 0.901 392 L HN 0.201 nan 8.230 nan 0.000 0.433 393 E N -0.875 119.333 120.200 0.014 0.000 2.274 393 E HA -0.123 4.227 4.350 0.000 0.000 0.194 393 E C 2.188 178.816 176.600 0.045 0.000 0.996 393 E CA 0.740 57.150 56.400 0.015 0.000 0.840 393 E CB -0.057 29.633 29.700 -0.018 0.000 0.772 393 E HN 0.471 nan 8.360 nan 0.000 0.491 394 L N 0.003 121.254 121.223 0.045 0.000 2.341 394 L HA 0.003 4.343 4.340 0.000 0.000 0.214 394 L C 2.239 179.190 176.870 0.134 0.000 1.115 394 L CA 0.440 55.335 54.840 0.093 0.000 0.820 394 L CB -0.008 42.085 42.059 0.057 0.000 0.944 394 L HN 0.120 nan 8.230 nan 0.000 0.452 395 A N -0.599 122.272 122.820 0.084 0.000 1.897 395 A HA -0.206 4.114 4.320 0.000 0.000 0.215 395 A C 2.156 179.779 177.584 0.066 0.000 1.181 395 A CA 1.191 53.268 52.037 0.067 0.000 0.620 395 A CB -0.290 18.735 19.000 0.043 0.000 0.821 395 A HN 0.427 nan 8.150 nan 0.000 0.443 396 Q N -1.963 117.880 119.800 0.072 0.000 2.119 396 Q HA -0.177 4.163 4.340 0.000 0.000 0.201 396 Q C 1.939 177.990 176.000 0.085 0.000 0.972 396 Q CA 1.790 57.631 55.803 0.063 0.000 0.847 396 Q CB -0.355 28.416 28.738 0.056 0.000 0.903 396 Q HN 0.856 nan 8.270 nan 0.000 0.433 397 Y N 0.915 121.214 120.300 -0.002 0.000 2.263 397 Y HA -0.119 4.431 4.550 0.000 0.000 0.292 397 Y C 2.266 178.169 175.900 0.005 0.000 1.130 397 Y CA 1.252 59.352 58.100 -0.001 0.000 1.179 397 Y CB 0.065 38.523 38.460 -0.002 0.000 0.998 397 Y HN -0.136 nan 8.280 nan 0.000 0.532 398 R N 0.474 120.942 120.500 -0.053 0.000 2.105 398 R HA -0.150 4.190 4.340 0.000 0.000 0.239 398 R C 1.938 178.157 176.300 -0.135 0.000 1.135 398 R CA 1.722 57.751 56.100 -0.118 0.000 0.967 398 R CB -0.111 30.197 30.300 0.013 0.000 0.861 398 R HN 0.386 nan 8.270 nan 0.000 0.442 399 E N -0.119 120.032 120.200 -0.082 0.000 2.338 399 E HA -0.087 4.263 4.350 0.000 0.000 0.197 399 E C 0.722 177.269 176.600 -0.088 0.000 1.007 399 E CA 1.145 57.507 56.400 -0.063 0.000 0.849 399 E CB 0.509 30.192 29.700 -0.028 0.000 0.774 399 E HN 0.316 nan 8.360 nan 0.000 0.506 400 V N -2.461 117.366 119.914 -0.145 0.000 2.771 400 V HA 0.581 4.701 4.120 0.000 0.000 0.355 400 V C 0.378 176.344 176.094 -0.212 0.000 1.289 400 V CA -0.486 61.733 62.300 -0.135 0.000 1.231 400 V CB 0.172 31.950 31.823 -0.075 0.000 1.396 400 V HN -0.009 nan 8.190 nan 0.000 0.628 411 D N 0.119 120.517 120.400 -0.003 0.000 2.268 411 D HA 0.450 5.090 4.640 0.000 0.000 0.249 411 D C 1.133 177.430 176.300 -0.004 0.000 1.008 411 D CA 0.211 54.209 54.000 -0.004 0.000 0.939 411 D CB 1.879 42.676 40.800 -0.005 0.000 1.170 411 D HN -0.041 nan 8.370 nan 0.000 0.468 412 A N 1.836 124.652 122.820 -0.006 0.000 1.882 412 A HA -0.250 4.070 4.320 0.000 0.000 0.220 412 A C 2.176 179.755 177.584 -0.008 0.000 1.253 412 A CA 3.659 55.691 52.037 -0.008 0.000 0.664 412 A CB -1.423 17.571 19.000 -0.010 0.000 0.838 412 A HN 0.820 nan 8.150 nan 0.000 0.460 413 A N -1.281 121.535 122.820 -0.007 0.000 1.855 413 A HA -0.032 4.288 4.320 0.000 0.000 0.215 413 A C 2.377 179.962 177.584 0.001 0.000 1.191 413 A CA 2.650 54.684 52.037 -0.006 0.000 0.613 413 A CB -1.462 17.534 19.000 -0.006 0.000 0.829 413 A HN 0.984 nan 8.150 nan 0.000 0.442 414 T N -2.357 112.198 114.554 0.002 0.000 3.072 414 T HA -0.091 4.259 4.350 0.000 0.000 0.266 414 T C 1.731 176.441 174.700 0.016 0.000 1.127 414 T CA 1.381 63.485 62.100 0.008 0.000 1.107 414 T CB -0.117 68.751 68.868 0.001 0.000 0.910 414 T HN 0.582 nan 8.240 nan 0.000 0.513 415 Q N 0.239 120.046 119.800 0.011 0.000 2.204 415 Q HA -0.042 4.298 4.340 0.000 0.000 0.198 415 Q C 2.474 178.486 176.000 0.020 0.000 0.946 415 Q CA 0.721 56.534 55.803 0.016 0.000 0.859 415 Q CB -0.070 28.672 28.738 0.007 0.000 0.946 415 Q HN 0.501 nan 8.270 nan 0.000 0.474 416 Q N 0.700 120.505 119.800 0.007 0.000 2.124 416 Q HA -0.128 4.212 4.340 0.000 0.000 0.202 416 Q C 1.697 177.702 176.000 0.008 0.000 0.977 416 Q CA 1.623 57.424 55.803 -0.004 0.000 0.850 416 Q CB -0.252 28.475 28.738 -0.018 0.000 0.901 416 Q HN 0.520 nan 8.270 nan 0.000 0.429 417 L N -0.500 120.744 121.223 0.034 0.000 2.376 417 L HA -0.030 4.310 4.340 0.000 0.000 0.219 417 L C 2.212 179.184 176.870 0.170 0.000 1.133 417 L CA 0.337 55.220 54.840 0.072 0.000 0.816 417 L CB -0.360 41.745 42.059 0.077 0.000 0.933 417 L HN 0.208 nan 8.230 nan 0.000 0.449 418 L N -0.972 120.350 121.223 0.164 0.000 2.068 418 L HA -0.120 4.220 4.340 0.000 0.000 0.204 418 L C 2.765 179.699 176.870 0.106 0.000 1.076 418 L CA 0.846 55.833 54.840 0.245 0.000 0.753 418 L CB -0.175 41.975 42.059 0.153 0.000 0.910 418 L HN 0.136 nan 8.230 nan 0.000 0.439 419 S N -0.496 115.225 115.700 0.035 0.000 2.365 419 S HA -0.269 4.201 4.470 0.000 0.000 0.225 419 S C 2.061 176.618 174.600 -0.071 0.000 1.039 419 S CA 1.662 59.850 58.200 -0.019 0.000 1.033 419 S CB -0.188 62.994 63.200 -0.029 0.000 0.887 419 S HN 0.237 nan 8.310 nan 0.000 0.447 420 R N 0.906 121.361 120.500 -0.076 0.000 2.075 420 R HA 0.033 4.373 4.340 0.000 0.000 0.232 420 R C 2.313 178.483 176.300 -0.217 0.000 1.126 420 R CA 1.653 57.680 56.100 -0.122 0.000 0.963 420 R CB -1.185 29.061 30.300 -0.090 0.000 0.858 420 R HN 0.374 nan 8.270 nan 0.000 0.435 421 G N 0.019 108.634 108.800 -0.309 0.000 2.459 421 G HA2 -0.249 3.711 3.960 0.000 0.000 0.217 421 G HA3 -0.249 3.711 3.960 0.000 0.000 0.217 421 G C 1.457 175.750 174.900 -1.011 0.000 1.183 421 G CA 1.397 45.949 45.100 -0.915 0.000 0.776 421 G HN 0.343 nan 8.290 nan 0.000 0.552 422 V N -0.659 118.878 119.914 -0.628 0.000 2.392 422 V HA -0.123 3.997 4.120 0.000 0.000 0.249 422 V C 2.598 178.565 176.094 -0.212 0.000 1.059 422 V CA 2.318 64.441 62.300 -0.295 0.000 1.051 422 V CB -0.685 31.099 31.823 -0.064 0.000 0.658 422 V HN 0.314 nan 8.190 nan 0.000 0.455 423 R N 0.064 120.444 120.500 -0.199 0.000 2.066 423 R HA 0.144 4.484 4.340 0.000 0.000 0.232 423 R C 2.436 178.652 176.300 -0.141 0.000 1.131 423 R CA 1.841 57.853 56.100 -0.146 0.000 0.955 423 R CB -0.512 29.702 30.300 -0.144 0.000 0.851 423 R HN 0.495 nan 8.270 nan 0.000 0.432 424 L N -0.041 121.077 121.223 -0.176 0.000 2.079 424 L HA -0.185 4.155 4.340 0.000 0.000 0.210 424 L C 2.155 178.959 176.870 -0.110 0.000 1.081 424 L CA 1.401 56.160 54.840 -0.134 0.000 0.752 424 L CB -0.750 41.223 42.059 -0.144 0.000 0.896 424 L HN 0.272 nan 8.230 nan 0.000 0.433 425 T N -1.146 113.315 114.554 -0.155 0.000 2.867 425 T HA -0.122 4.228 4.350 0.000 0.000 0.268 425 T C 1.776 176.446 174.700 -0.050 0.000 1.057 425 T CA 0.939 62.983 62.100 -0.093 0.000 1.136 425 T CB -0.079 68.727 68.868 -0.103 0.000 0.874 425 T HN 0.288 nan 8.240 nan 0.000 0.466 426 E N 1.038 121.204 120.200 -0.058 0.000 2.152 426 E HA 0.073 4.423 4.350 0.000 0.000 0.192 426 E C 2.284 178.877 176.600 -0.012 0.000 0.983 426 E CA 0.392 56.775 56.400 -0.028 0.000 0.818 426 E CB -0.335 29.348 29.700 -0.028 0.000 0.758 426 E HN 0.421 nan 8.360 nan 0.000 0.467 427 L N 0.438 121.649 121.223 -0.019 0.000 2.131 427 L HA -0.148 4.192 4.340 0.000 0.000 0.210 427 L C 2.258 179.135 176.870 0.013 0.000 1.092 427 L CA 0.941 55.785 54.840 0.006 0.000 0.759 427 L CB -0.267 41.791 42.059 -0.002 0.000 0.903 427 L HN 0.147 nan 8.230 nan 0.000 0.435 428 L N -1.060 120.164 121.223 0.001 0.000 2.418 428 L HA -0.029 4.311 4.340 0.000 0.000 0.218 428 L C 1.103 177.977 176.870 0.007 0.000 1.125 428 L CA 0.129 54.974 54.840 0.009 0.000 0.835 428 L CB -0.344 41.721 42.059 0.009 0.000 0.953 428 L HN 0.068 nan 8.230 nan 0.000 0.454 429 K N 1.522 121.922 120.400 0.000 0.000 2.518 429 K HA 0.074 4.394 4.320 0.000 0.000 0.276 429 K C -0.030 176.566 176.600 -0.006 0.000 0.974 429 K CA 0.716 56.998 56.287 -0.008 0.000 0.986 429 K CB 0.378 32.870 32.500 -0.013 0.000 0.901 429 K HN 0.045 nan 8.250 nan 0.000 0.497 430 Q N 0.226 120.014 119.800 -0.020 0.000 2.518 430 Q HA 0.227 4.567 4.340 0.000 0.000 0.254 430 Q C -0.764 175.206 176.000 -0.050 0.000 0.962 430 Q CA -0.476 55.313 55.803 -0.023 0.000 0.982 430 Q CB 1.405 30.136 28.738 -0.013 0.000 1.516 430 Q HN 0.801 nan 8.270 nan 0.000 0.426 431 G N 1.699 110.463 108.800 -0.059 0.000 2.570 431 G HA2 0.261 4.221 3.960 0.000 0.000 0.276 431 G HA3 0.261 4.221 3.960 0.000 0.000 0.276 431 G C -0.521 174.287 174.900 -0.154 0.000 1.346 431 G CA -0.141 44.897 45.100 -0.102 0.000 1.034 431 G HN 0.596 nan 8.290 nan 0.000 0.512 432 Q N -1.892 117.734 119.800 -0.290 0.000 2.204 432 Q HA 0.427 4.767 4.340 0.000 0.000 0.254 432 Q C -0.485 175.266 176.000 -0.414 0.000 0.981 432 Q CA -0.664 54.821 55.803 -0.531 0.000 0.897 432 Q CB 1.429 29.457 28.738 -1.184 0.000 1.273 432 Q HN 0.685 nan 8.270 nan 0.000 0.464 433 Y N -1.766 118.532 120.300 -0.003 0.000 4.916 433 Y HA -0.277 4.273 4.550 0.000 0.000 0.247 433 Y C 0.108 176.001 175.900 -0.011 0.000 0.962 433 Y CA 0.242 58.336 58.100 -0.010 0.000 1.933 433 Y CB -1.435 37.016 38.460 -0.015 0.000 1.451 433 Y HN 0.369 nan 8.280 nan 0.000 0.539 434 S N 1.624 117.372 115.700 0.079 0.000 2.222 434 S HA 0.267 4.737 4.470 0.000 0.000 0.173 434 S C -2.176 172.435 174.600 0.018 0.000 1.466 434 S CA -0.923 57.301 58.200 0.040 0.000 1.184 434 S CB 0.692 63.903 63.200 0.019 0.000 1.168 434 S HN 0.093 nan 8.310 nan 0.000 0.475 435 P HA 0.302 nan 4.420 nan 0.000 0.274 435 P C -0.647 176.652 177.300 -0.003 0.000 1.231 435 P CA -0.385 62.725 63.100 0.017 0.000 0.790 435 P CB 0.611 32.330 31.700 0.033 0.000 0.951 436 M N 1.292 120.891 119.600 -0.002 0.000 2.336 436 M HA 0.502 4.982 4.480 0.000 0.000 0.342 436 M C 0.452 176.740 176.300 -0.021 0.000 1.128 436 M CA -0.904 54.386 55.300 -0.017 0.000 1.016 436 M CB 1.984 34.580 32.600 -0.008 0.000 1.665 436 M HN 0.340 nan 8.290 nan 0.000 0.445 437 A N 1.825 124.614 122.820 -0.052 0.000 2.520 437 A HA 0.082 4.402 4.320 0.000 0.000 0.235 437 A C 1.025 178.601 177.584 -0.014 0.000 1.065 437 A CA -0.242 51.760 52.037 -0.058 0.000 0.764 437 A CB 0.027 18.971 19.000 -0.093 0.000 1.002 437 A HN 0.960 nan 8.150 nan 0.000 0.502 438 I N 0.932 121.514 120.570 0.019 0.000 2.208 438 I HA -0.240 3.930 4.170 0.000 0.000 0.245 438 I C 2.519 178.644 176.117 0.012 0.000 1.097 438 I CA 2.485 63.804 61.300 0.031 0.000 1.363 438 I CB -0.349 37.685 38.000 0.056 0.000 1.051 438 I HN 0.868 nan 8.210 nan 0.000 0.413 439 E N 0.444 120.640 120.200 -0.006 0.000 2.110 439 E HA -0.278 4.072 4.350 0.000 0.000 0.193 439 E C 1.842 178.423 176.600 -0.032 0.000 0.988 439 E CA 1.692 58.079 56.400 -0.022 0.000 0.804 439 E CB -0.803 28.873 29.700 -0.039 0.000 0.745 439 E HN 0.658 nan 8.360 nan 0.000 0.458 440 E N 0.949 121.123 120.200 -0.044 0.000 2.077 440 E HA -0.188 4.162 4.350 0.000 0.000 0.193 440 E C 2.370 178.964 176.600 -0.009 0.000 0.989 440 E CA 1.382 57.748 56.400 -0.056 0.000 0.800 440 E CB -0.097 29.562 29.700 -0.069 0.000 0.746 440 E HN 0.401 nan 8.360 nan 0.000 0.452 441 Q N 0.233 120.039 119.800 0.010 0.000 2.061 441 Q HA -0.168 4.172 4.340 0.000 0.000 0.204 441 Q C 2.602 178.642 176.000 0.066 0.000 0.984 441 Q CA 1.911 57.737 55.803 0.038 0.000 0.846 441 Q CB -0.314 28.445 28.738 0.035 0.000 0.902 441 Q HN 0.339 nan 8.270 nan 0.000 0.421 442 V N -1.478 118.471 119.914 0.058 0.000 2.427 442 V HA -0.121 3.999 4.120 0.000 0.000 0.248 442 V C 2.085 178.264 176.094 0.142 0.000 1.051 442 V CA 1.726 64.078 62.300 0.087 0.000 1.048 442 V CB -0.899 30.960 31.823 0.061 0.000 0.666 442 V HN 0.290 nan 8.190 nan 0.000 0.456 443 A N 0.263 123.148 122.820 0.108 0.000 1.902 443 A HA -0.086 4.234 4.320 0.000 0.000 0.217 443 A C 2.403 180.229 177.584 0.402 0.000 1.181 443 A CA 2.310 54.458 52.037 0.185 0.000 0.623 443 A CB -0.939 18.085 19.000 0.040 0.000 0.818 443 A HN 0.506 nan 8.150 nan 0.000 0.443 444 V N 0.631 120.734 119.914 0.315 0.000 2.307 444 V HA -0.223 3.897 4.120 0.000 0.000 0.245 444 V C 2.446 178.679 176.094 0.231 0.000 1.045 444 V CA 1.728 64.238 62.300 0.350 0.000 1.024 444 V CB -0.589 31.370 31.823 0.227 0.000 0.651 444 V HN 0.521 nan 8.190 nan 0.000 0.449 445 I N -0.556 120.118 120.570 0.174 0.000 2.264 445 I HA -0.273 3.897 4.170 0.000 0.000 0.248 445 I C 2.380 178.582 176.117 0.142 0.000 1.111 445 I CA 1.981 63.354 61.300 0.122 0.000 1.382 445 I CB -1.238 36.822 38.000 0.100 0.000 1.060 445 I HN 0.428 nan 8.210 nan 0.000 0.418 446 Y N 2.317 122.664 120.300 0.079 0.000 2.053 446 Y HA -0.320 4.230 4.550 0.000 0.000 0.277 446 Y C 2.716 178.671 175.900 0.092 0.000 1.159 446 Y CA 2.275 60.425 58.100 0.083 0.000 1.125 446 Y CB -0.478 38.038 38.460 0.093 0.000 0.969 446 Y HN 0.131 nan 8.280 nan 0.000 0.492 447 A N 0.420 123.352 122.820 0.185 0.000 1.909 447 A HA -0.310 4.010 4.320 0.000 0.000 0.221 447 A C 2.474 180.049 177.584 -0.014 0.000 1.223 447 A CA 2.536 54.580 52.037 0.012 0.000 0.658 447 A CB -1.906 16.995 19.000 -0.165 0.000 0.831 447 A HN 0.690 nan 8.150 nan 0.000 0.462 448 G N -0.600 108.177 108.800 -0.038 0.000 2.484 448 G HA2 -0.132 3.828 3.960 0.000 0.000 0.215 448 G HA3 -0.132 3.828 3.960 0.000 0.000 0.215 448 G C 1.584 176.420 174.900 -0.108 0.000 1.219 448 G CA 2.295 47.346 45.100 -0.081 0.000 0.791 448 G HN 1.185 nan 8.290 nan 0.000 0.550 449 V N -1.803 118.053 119.914 -0.096 0.000 3.026 449 V HA 0.143 4.263 4.120 0.000 0.000 0.265 449 V C 1.922 177.901 176.094 -0.191 0.000 1.121 449 V CA 1.285 63.514 62.300 -0.118 0.000 1.142 449 V CB -0.418 31.363 31.823 -0.070 0.000 0.730 449 V HN 0.157 nan 8.190 nan 0.000 0.503 450 R N 0.705 121.045 120.500 -0.266 0.000 2.466 450 R HA 0.365 4.705 4.340 0.000 0.000 0.279 450 R C 1.693 177.680 176.300 -0.522 0.000 0.976 450 R CA 0.501 56.378 56.100 -0.372 0.000 1.081 450 R CB 0.109 30.138 30.300 -0.453 0.000 1.215 450 R HN 0.756 nan 8.270 nan 0.000 0.546 451 G N 0.725 109.317 108.800 -0.347 0.000 2.184 451 G HA2 -0.371 3.589 3.960 0.000 0.000 0.264 451 G HA3 -0.371 3.589 3.960 0.000 0.000 0.264 451 G C 0.635 175.321 174.900 -0.357 0.000 0.975 451 G CA 0.468 45.361 45.100 -0.344 0.000 0.642 451 G HN 0.442 nan 8.290 nan 0.000 0.536 452 Y N 0.209 120.372 120.300 -0.228 0.000 2.574 452 Y HA 0.220 4.770 4.550 0.000 0.000 0.294 452 Y C 2.684 178.364 175.900 -0.366 0.000 1.142 452 Y CA 1.279 59.227 58.100 -0.252 0.000 1.314 452 Y CB -0.121 38.195 38.460 -0.240 0.000 0.991 452 Y HN 0.389 nan 8.280 nan 0.000 0.555 453 L N -0.908 120.169 121.223 -0.243 0.000 2.477 453 L HA -0.025 4.315 4.340 0.000 0.000 0.220 453 L C 1.328 178.062 176.870 -0.227 0.000 1.106 453 L CA 0.148 54.785 54.840 -0.339 0.000 0.851 453 L CB -0.187 41.684 42.059 -0.314 0.000 0.994 453 L HN 0.069 nan 8.230 nan 0.000 0.462 454 D N 1.268 121.560 120.400 -0.180 0.000 2.149 454 D HA -0.185 4.455 4.640 0.000 0.000 0.198 454 D C 1.919 178.156 176.300 -0.105 0.000 0.990 454 D CA 1.266 55.185 54.000 -0.135 0.000 0.839 454 D CB -0.036 40.686 40.800 -0.130 0.000 0.948 454 D HN 0.334 nan 8.370 nan 0.000 0.460 455 K N -0.109 120.228 120.400 -0.104 0.000 2.366 455 K HA 0.054 4.374 4.320 0.000 0.000 0.198 455 K C 0.797 177.367 176.600 -0.049 0.000 1.044 455 K CA 0.199 56.447 56.287 -0.065 0.000 0.973 455 K CB 0.289 32.760 32.500 -0.048 0.000 0.767 455 K HN 0.169 nan 8.250 nan 0.000 0.475 456 L N 1.496 122.671 121.223 -0.079 0.000 2.421 456 L HA 0.167 4.507 4.340 0.000 0.000 0.263 456 L C 0.274 177.127 176.870 -0.029 0.000 1.122 456 L CA -0.579 54.234 54.840 -0.045 0.000 0.804 456 L CB 0.790 42.780 42.059 -0.114 0.000 1.150 456 L HN -0.019 nan 8.230 nan 0.000 0.457 457 E N 1.779 121.986 120.200 0.012 0.000 2.313 457 E HA 0.110 4.460 4.350 0.000 0.000 0.276 457 E C -1.642 174.963 176.600 0.010 0.000 1.031 457 E CA -1.488 54.919 56.400 0.011 0.000 0.857 457 E CB 1.189 30.905 29.700 0.026 0.000 1.040 457 E HN 0.303 nan 8.360 nan 0.000 0.408 458 P HA -0.242 nan 4.420 nan 0.000 0.216 458 P C 1.035 178.343 177.300 0.014 0.000 1.154 458 P CA 1.410 64.506 63.100 -0.007 0.000 0.865 458 P CB 0.108 31.805 31.700 -0.006 0.000 0.789 459 S N -1.687 114.029 115.700 0.026 0.000 2.595 459 S HA -0.051 4.419 4.470 0.000 0.000 0.235 459 S C 1.414 176.053 174.600 0.065 0.000 0.974 459 S CA 0.947 59.169 58.200 0.036 0.000 0.942 459 S CB -0.695 62.523 63.200 0.031 0.000 0.766 459 S HN 0.201 nan 8.310 nan 0.000 0.536 460 K N -0.322 120.129 120.400 0.086 0.000 2.438 460 K HA 0.406 4.726 4.320 0.000 0.000 0.206 460 K C 0.994 177.698 176.600 0.173 0.000 1.081 460 K CA -0.207 56.177 56.287 0.162 0.000 1.053 460 K CB 0.299 32.931 32.500 0.220 0.000 0.908 460 K HN 0.193 nan 8.250 nan 0.000 0.556 461 I N 1.315 121.934 120.570 0.081 0.000 2.179 461 I HA -0.226 3.945 4.170 0.000 0.000 0.242 461 I C 1.819 178.009 176.117 0.121 0.000 1.088 461 I CA 1.684 63.016 61.300 0.054 0.000 1.357 461 I CB -1.196 36.794 38.000 -0.016 0.000 1.051 461 I HN 0.120 nan 8.210 nan 0.000 0.409 462 T N 0.912 115.525 114.554 0.099 0.000 2.635 462 T HA -0.268 4.082 4.350 0.000 0.000 0.267 462 T C 2.024 176.814 174.700 0.150 0.000 1.040 462 T CA 1.955 64.116 62.100 0.101 0.000 1.156 462 T CB -0.201 68.706 68.868 0.064 0.000 0.863 462 T HN 0.263 nan 8.240 nan 0.000 0.430 463 K N -0.081 120.434 120.400 0.191 0.000 2.032 463 K HA -0.096 4.224 4.320 0.000 0.000 0.209 463 K C 2.043 178.842 176.600 0.332 0.000 1.048 463 K CA 1.459 57.903 56.287 0.263 0.000 0.927 463 K CB -0.370 32.316 32.500 0.311 0.000 0.712 463 K HN 0.336 nan 8.250 nan 0.000 0.441 464 F N 1.873 121.881 119.950 0.096 0.000 2.126 464 F HA -0.219 4.308 4.527 0.000 0.000 0.299 464 F C 2.242 178.053 175.800 0.018 0.000 1.096 464 F CA 1.872 59.711 58.000 -0.268 0.000 1.255 464 F CB -0.091 38.546 39.000 -0.604 0.000 0.997 464 F HN 0.192 nan 8.300 nan 0.000 0.479 465 E N 0.159 120.535 120.200 0.294 0.000 2.085 465 E HA -0.268 4.082 4.350 0.000 0.000 0.194 465 E C 1.776 178.463 176.600 0.145 0.000 0.994 465 E CA 1.865 58.426 56.400 0.268 0.000 0.801 465 E CB -0.292 29.530 29.700 0.202 0.000 0.743 465 E HN 0.628 nan 8.360 nan 0.000 0.453 466 N N -0.372 118.395 118.700 0.110 0.000 2.250 466 N HA -0.053 4.687 4.740 0.000 0.000 0.181 466 N C 1.743 177.282 175.510 0.048 0.000 1.017 466 N CA 0.731 53.819 53.050 0.063 0.000 0.866 466 N CB -0.022 38.509 38.487 0.073 0.000 0.985 466 N HN 0.121 nan 8.380 nan 0.000 0.429 467 A N 0.664 123.553 122.820 0.115 0.000 1.929 467 A HA -0.108 4.212 4.320 0.000 0.000 0.216 467 A C 1.889 179.490 177.584 0.029 0.000 1.176 467 A CA 0.844 53.002 52.037 0.202 0.000 0.628 467 A CB -0.678 18.583 19.000 0.434 0.000 0.816 467 A HN 0.387 nan 8.150 nan 0.000 0.444 468 F N 0.320 120.017 119.950 -0.422 0.000 2.128 468 F HA -0.056 4.471 4.527 0.000 0.000 0.295 468 F C 1.766 177.260 175.800 -0.509 0.000 1.100 468 F CA 1.498 58.940 58.000 -0.930 0.000 1.260 468 F CB -0.520 37.952 39.000 -0.880 0.000 1.009 468 F HN 0.179 nan 8.300 nan 0.000 0.476 469 L N 0.741 121.646 121.223 -0.531 0.000 2.012 469 L HA -0.163 4.177 4.340 0.000 0.000 0.210 469 L C 2.676 179.324 176.870 -0.370 0.000 1.073 469 L CA 2.451 56.987 54.840 -0.506 0.000 0.748 469 L CB -1.254 40.683 42.059 -0.204 0.000 0.891 469 L HN 0.397 nan 8.230 nan 0.000 0.431 470 S N -2.194 113.372 115.700 -0.223 0.000 2.428 470 S HA -0.237 4.233 4.470 0.000 0.000 0.230 470 S C 2.179 176.698 174.600 -0.135 0.000 1.014 470 S CA 0.909 59.025 58.200 -0.139 0.000 0.957 470 S CB -0.979 62.189 63.200 -0.052 0.000 0.784 470 S HN 0.734 nan 8.310 nan 0.000 0.499 471 H N 1.699 120.594 119.070 -0.292 0.000 2.357 471 H HA -0.049 4.507 4.556 0.000 0.000 0.301 471 H C 2.273 177.471 175.328 -0.217 0.000 1.082 471 H CA 2.070 57.972 56.048 -0.245 0.000 1.342 471 H CB -0.088 29.441 29.762 -0.389 0.000 1.389 471 H HN 0.450 nan 8.280 nan 0.000 0.511 472 V N -0.625 119.038 119.914 -0.417 0.000 2.427 472 V HA -0.159 3.961 4.120 0.000 0.000 0.248 472 V C 2.596 178.540 176.094 -0.250 0.000 1.051 472 V CA 1.551 63.661 62.300 -0.317 0.000 1.048 472 V CB -0.906 30.613 31.823 -0.507 0.000 0.666 472 V HN 0.278 nan 8.190 nan 0.000 0.456 473 I N 0.927 121.341 120.570 -0.259 0.000 2.286 473 I HA -0.192 3.978 4.170 0.000 0.000 0.248 473 I C 2.833 178.843 176.117 -0.180 0.000 1.115 473 I CA 2.051 63.236 61.300 -0.192 0.000 1.392 473 I CB -0.307 37.593 38.000 -0.165 0.000 1.065 473 I HN 0.424 nan 8.210 nan 0.000 0.418 474 S N -0.781 114.797 115.700 -0.203 0.000 2.458 474 S HA -0.047 4.423 4.470 0.000 0.000 0.223 474 S C 1.866 176.313 174.600 -0.255 0.000 1.019 474 S CA 0.808 58.897 58.200 -0.185 0.000 0.937 474 S CB 0.153 63.270 63.200 -0.138 0.000 0.788 474 S HN 0.343 nan 8.310 nan 0.000 0.511 475 Q N -0.298 119.262 119.800 -0.400 0.000 2.471 475 Q HA 0.204 4.544 4.340 0.000 0.000 0.241 475 Q C 0.034 175.621 176.000 -0.688 0.000 0.886 475 Q CA 0.720 56.154 55.803 -0.616 0.000 0.953 475 Q CB 0.069 28.226 28.738 -0.967 0.000 1.108 475 Q HN 0.657 nan 8.270 nan 0.000 0.575 476 H N 0.496 119.415 119.070 -0.252 0.000 2.505 476 H HA 0.255 4.811 4.556 0.000 0.000 0.260 476 H C 1.075 176.305 175.328 -0.162 0.000 1.232 476 H CA -0.178 55.758 56.048 -0.187 0.000 0.991 476 H CB 0.688 30.334 29.762 -0.194 0.000 1.729 476 H HN -0.013 nan 8.280 nan 0.000 0.561 477 Q N 0.944 120.686 119.800 -0.097 0.000 2.096 477 Q HA -0.157 4.183 4.340 0.000 0.000 0.204 477 Q C 2.370 178.333 176.000 -0.061 0.000 0.982 477 Q CA 1.369 57.120 55.803 -0.087 0.000 0.850 477 Q CB -0.144 28.538 28.738 -0.094 0.000 0.901 477 Q HN 0.674 nan 8.270 nan 0.000 0.422 478 A N 1.061 123.851 122.820 -0.049 0.000 1.917 478 A HA -0.197 4.123 4.320 0.000 0.000 0.219 478 A C 2.101 179.665 177.584 -0.032 0.000 1.182 478 A CA 1.328 53.344 52.037 -0.036 0.000 0.633 478 A CB -0.746 18.238 19.000 -0.026 0.000 0.819 478 A HN 0.385 nan 8.150 nan 0.000 0.448 479 L N -0.689 120.517 121.223 -0.028 0.000 2.023 479 L HA -0.088 4.252 4.340 0.000 0.000 0.205 479 L C 2.523 179.357 176.870 -0.061 0.000 1.073 479 L CA 1.492 56.305 54.840 -0.045 0.000 0.745 479 L CB -0.461 41.564 42.059 -0.057 0.000 0.900 479 L HN 0.440 nan 8.230 nan 0.000 0.435 480 L N 0.015 121.196 121.223 -0.070 0.000 2.042 480 L HA -0.229 4.111 4.340 0.000 0.000 0.210 480 L C 3.054 179.888 176.870 -0.061 0.000 1.076 480 L CA 1.501 56.295 54.840 -0.078 0.000 0.749 480 L CB -1.026 40.975 42.059 -0.096 0.000 0.893 480 L HN 0.419 nan 8.230 nan 0.000 0.432 481 S N 0.493 116.160 115.700 -0.055 0.000 2.359 481 S HA -0.291 4.179 4.470 0.000 0.000 0.224 481 S C 2.139 176.718 174.600 -0.035 0.000 1.035 481 S CA 2.178 60.351 58.200 -0.044 0.000 1.018 481 S CB -0.365 nan 63.200 nan 0.000 0.876 481 S HN 0.166 nan 8.310 nan 0.000 0.448 482 K N 0.734 121.113 120.400 -0.035 0.000 2.097 482 K HA 0.079 4.399 4.320 0.000 0.000 0.206 482 K C 1.724 178.308 176.600 -0.028 0.000 1.049 482 K CA 1.174 57.444 56.287 -0.028 0.000 0.933 482 K CB -0.400 32.082 32.500 -0.029 0.000 0.717 482 K HN 0.596 nan 8.250 nan 0.000 0.442 483 I N -0.014 120.534 120.570 -0.036 0.000 2.252 483 I HA -0.237 3.933 4.170 0.000 0.000 0.245 483 I C 2.573 178.678 176.117 -0.020 0.000 1.102 483 I CA 1.128 62.409 61.300 -0.033 0.000 1.385 483 I CB -0.304 37.668 38.000 -0.047 0.000 1.064 483 I HN 0.197 nan 8.210 nan 0.000 0.414 484 R N 0.827 121.315 120.500 -0.021 0.000 2.083 484 R HA -0.171 4.169 4.340 0.000 0.000 0.237 484 R C 2.188 178.488 176.300 -0.001 0.000 1.137 484 R CA 2.260 58.356 56.100 -0.007 0.000 0.951 484 R CB -0.322 29.970 30.300 -0.014 0.000 0.851 484 R HN 0.248 nan 8.270 nan 0.000 0.434 485 T N 0.704 115.253 114.554 -0.008 0.000 2.812 485 T HA -0.053 4.297 4.350 0.000 0.000 0.264 485 T C 0.985 175.683 174.700 -0.004 0.000 1.042 485 T CA 1.318 63.415 62.100 -0.005 0.000 1.140 485 T CB -0.171 68.692 68.868 -0.009 0.000 0.870 485 T HN 0.306 nan 8.240 nan 0.000 0.445 486 D N 0.541 120.937 120.400 -0.007 0.000 2.317 486 D HA 0.122 4.762 4.640 0.000 0.000 0.211 486 D C 1.814 178.112 176.300 -0.002 0.000 0.966 486 D CA 0.783 54.781 54.000 -0.005 0.000 0.876 486 D CB -0.501 40.295 40.800 -0.007 0.000 0.927 486 D HN 0.486 nan 8.370 nan 0.000 0.519 487 G N 1.121 109.921 108.800 -0.001 0.000 2.180 487 G HA2 -0.340 3.620 3.960 0.000 0.000 0.263 487 G HA3 -0.340 3.620 3.960 0.000 0.000 0.263 487 G C 0.478 175.380 174.900 0.003 0.000 0.989 487 G CA 1.039 46.141 45.100 0.002 0.000 0.692 487 G HN 0.461 nan 8.290 nan 0.000 0.526 488 K N -0.753 119.647 120.400 0.001 0.000 2.509 488 K HA 0.692 5.012 4.320 0.000 0.000 0.266 488 K C -0.774 175.825 176.600 -0.001 0.000 0.987 488 K CA -1.279 55.011 56.287 0.004 0.000 0.868 488 K CB 1.258 33.761 32.500 0.005 0.000 1.421 488 K HN 0.049 nan 8.250 nan 0.000 0.444 489 I N 3.211 123.785 120.570 0.006 0.000 2.306 489 I HA 0.122 4.292 4.170 0.000 0.000 0.288 489 I C 0.118 176.238 176.117 0.006 0.000 1.036 489 I CA -0.492 60.806 61.300 -0.003 0.000 1.221 489 I CB 1.384 39.393 38.000 0.016 0.000 1.385 489 I HN 0.541 nan 8.210 nan 0.000 0.472 490 S N 3.436 119.133 115.700 -0.005 0.000 2.603 490 S HA 0.161 4.631 4.470 0.000 0.000 0.268 490 S C 1.005 175.610 174.600 0.008 0.000 1.317 490 S CA -0.690 57.511 58.200 0.003 0.000 1.012 490 S CB 1.630 64.829 63.200 -0.003 0.000 0.926 490 S HN 0.705 nan 8.310 nan 0.000 0.539 491 E N 0.500 120.709 120.200 0.016 0.000 2.209 491 E HA -0.237 4.113 4.350 0.000 0.000 0.196 491 E C 1.868 178.480 176.600 0.020 0.000 0.993 491 E CA 1.361 57.775 56.400 0.024 0.000 0.819 491 E CB -0.028 29.686 29.700 0.023 0.000 0.745 491 E HN 0.878 nan 8.360 nan 0.000 0.477 492 E N -0.240 119.965 120.200 0.009 0.000 2.016 492 E HA -0.138 4.212 4.350 0.000 0.000 0.190 492 E C 2.083 178.678 176.600 -0.010 0.000 0.985 492 E CA 1.336 57.738 56.400 0.003 0.000 0.802 492 E CB -0.080 29.620 29.700 0.000 0.000 0.762 492 E HN 0.010 nan 8.360 nan 0.000 0.448 493 S N 0.788 116.474 115.700 -0.024 0.000 2.374 493 S HA -0.222 4.248 4.470 0.000 0.000 0.227 493 S C 1.549 176.096 174.600 -0.089 0.000 1.037 493 S CA 1.557 59.722 58.200 -0.058 0.000 1.024 493 S CB -0.506 62.656 63.200 -0.062 0.000 0.861 493 S HN 0.418 nan 8.310 nan 0.000 0.456 494 D N 1.325 121.698 120.400 -0.045 0.000 2.078 494 D HA -0.043 4.597 4.640 0.000 0.000 0.193 494 D C 2.003 178.326 176.300 0.038 0.000 0.990 494 D CA 1.537 55.533 54.000 -0.007 0.000 0.827 494 D CB -0.445 40.408 40.800 0.089 0.000 0.975 494 D HN 0.312 nan 8.370 nan 0.000 0.451 495 A N -0.343 122.505 122.820 0.047 0.000 2.067 495 A HA -0.109 4.211 4.320 0.000 0.000 0.219 495 A C 2.095 179.697 177.584 0.030 0.000 1.158 495 A CA 1.702 53.774 52.037 0.059 0.000 0.661 495 A CB -0.451 18.578 19.000 0.048 0.000 0.801 495 A HN 0.181 nan 8.150 nan 0.000 0.452 496 K N -0.791 119.603 120.400 -0.009 0.000 2.116 496 K HA 0.054 4.374 4.320 0.000 0.000 0.203 496 K C 1.529 178.084 176.600 -0.075 0.000 1.052 496 K CA 0.847 57.115 56.287 -0.033 0.000 0.952 496 K CB -0.291 32.184 32.500 -0.041 0.000 0.729 496 K HN 0.307 nan 8.250 nan 0.000 0.446 497 L N 0.904 122.049 121.223 -0.130 0.000 2.492 497 L HA 0.108 4.448 4.340 0.000 0.000 0.223 497 L C 1.770 178.609 176.870 -0.052 0.000 1.132 497 L CA 1.383 56.091 54.840 -0.220 0.000 0.850 497 L CB -0.266 41.457 42.059 -0.561 0.000 0.966 497 L HN 0.105 nan 8.230 nan 0.000 0.454 498 K N -0.871 119.579 120.400 0.083 0.000 2.103 498 K HA -0.117 4.203 4.320 0.000 0.000 0.204 498 K C 1.860 178.502 176.600 0.071 0.000 1.052 498 K CA 0.842 57.240 56.287 0.185 0.000 0.945 498 K CB 0.144 32.785 32.500 0.236 0.000 0.722 498 K HN 0.318 nan 8.250 nan 0.000 0.443 499 E N 0.836 121.061 120.200 0.041 0.000 2.015 499 E HA -0.173 4.177 4.350 0.000 0.000 0.191 499 E C 2.085 178.692 176.600 0.011 0.000 0.991 499 E CA 1.287 57.706 56.400 0.033 0.000 0.802 499 E CB -0.151 29.565 29.700 0.026 0.000 0.759 499 E HN 0.318 nan 8.360 nan 0.000 0.447 500 I N 0.808 121.348 120.570 -0.051 0.000 2.194 500 I HA -0.306 3.864 4.170 0.000 0.000 0.246 500 I C 2.493 178.643 176.117 0.056 0.000 1.093 500 I CA 0.981 62.231 61.300 -0.084 0.000 1.355 500 I CB -0.328 37.489 38.000 -0.305 0.000 1.046 500 I HN -0.015 nan 8.210 nan 0.000 0.413 501 V N 0.272 120.168 119.914 -0.029 0.000 2.323 501 V HA -0.231 3.889 4.120 0.000 0.000 0.244 501 V C 2.495 178.540 176.094 -0.081 0.000 1.041 501 V CA 2.413 64.625 62.300 -0.147 0.000 1.025 501 V CB -0.902 30.556 31.823 -0.608 0.000 0.656 501 V HN 0.464 nan 8.190 nan 0.000 0.451 502 T N 0.300 114.800 114.554 -0.090 0.000 2.684 502 T HA -0.246 4.104 4.350 0.000 0.000 0.267 502 T C 1.678 176.442 174.700 0.107 0.000 1.036 502 T CA 2.157 64.296 62.100 0.065 0.000 1.148 502 T CB -0.582 68.358 68.868 0.119 0.000 0.863 502 T HN 0.577 nan 8.240 nan 0.000 0.436 503 N N -0.030 118.738 118.700 0.115 0.000 2.223 503 N HA -0.037 4.703 4.740 0.000 0.000 0.185 503 N C 1.559 177.164 175.510 0.157 0.000 1.016 503 N CA 0.886 54.015 53.050 0.132 0.000 0.863 503 N CB -0.186 38.391 38.487 0.151 0.000 0.983 503 N HN 0.273 nan 8.380 nan 0.000 0.429 504 F N 1.144 121.119 119.950 0.041 0.000 2.219 504 F HA 0.074 4.601 4.527 0.000 0.000 0.294 504 F C 1.938 177.793 175.800 0.092 0.000 1.086 504 F CA 0.396 58.400 58.000 0.007 0.000 1.330 504 F CB -0.284 38.719 39.000 0.005 0.000 1.047 504 F HN -0.079 nan 8.300 nan 0.000 0.495 505 L N 0.873 122.231 121.223 0.225 0.000 2.083 505 L HA 0.002 4.342 4.340 0.000 0.000 0.209 505 L C 2.290 179.254 176.870 0.157 0.000 1.083 505 L CA 2.055 57.059 54.840 0.274 0.000 0.752 505 L CB -1.265 40.957 42.059 0.272 0.000 0.899 505 L HN 0.129 nan 8.230 nan 0.000 0.433 506 A N -0.782 122.094 122.820 0.093 0.000 2.015 506 A HA 0.030 4.350 4.320 0.000 0.000 0.219 506 A C 2.118 179.707 177.584 0.008 0.000 1.163 506 A CA 1.308 53.379 52.037 0.056 0.000 0.646 506 A CB -1.132 17.899 19.000 0.053 0.000 0.806 506 A HN 0.531 nan 8.150 nan 0.000 0.448 507 G N -2.244 106.522 108.800 -0.057 0.000 3.126 507 G HA2 0.319 4.279 3.960 0.000 0.000 0.224 507 G HA3 0.319 4.279 3.960 0.000 0.000 0.224 507 G C 0.112 174.878 174.900 -0.223 0.000 1.142 507 G CA -0.316 44.703 45.100 -0.135 0.000 0.759 507 G HN 0.325 nan 8.290 nan 0.000 0.550 508 F N 2.722 122.447 119.950 -0.374 0.000 2.472 508 F HA 0.382 4.909 4.527 0.000 0.000 0.364 508 F C 0.538 176.255 175.800 -0.139 0.000 1.090 508 F CA -0.947 56.846 58.000 -0.345 0.000 1.188 508 F CB 0.654 39.531 39.000 -0.204 0.000 1.105 508 F HN 0.055 nan 8.300 nan 0.000 0.536 509 E N 0.000 119.808 120.200 -0.653 0.000 2.725 509 E HA 0.000 4.350 4.350 0.000 0.000 0.291 509 E CA 0.000 56.126 56.400 -0.457 0.000 0.976 509 E CB 0.000 29.523 29.700 -0.296 0.000 0.812 509 E HN 0.000 nan 8.360 nan 0.000 0.440