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_B 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 0.000 176.106 176.094 0.020 0.000 1.182 23 V CA 0.000 62.312 62.300 0.020 0.000 1.235 23 V CB 0.000 31.831 31.823 0.013 0.000 1.184 24 D N 1.615 122.023 120.400 0.014 0.000 2.393 24 D HA 0.470 5.108 4.640 -0.004 0.000 0.232 24 D C 0.677 176.980 176.300 0.004 0.000 1.192 24 D CA -0.070 53.934 54.000 0.007 0.000 0.882 24 D CB 0.684 41.485 40.800 0.001 0.000 1.038 24 D HN 0.503 nan 8.370 nan 0.000 0.499 25 L N 3.148 124.373 121.223 0.003 0.000 2.688 25 L HA 0.222 4.560 4.340 -0.004 0.000 0.234 25 L C 1.368 178.216 176.870 -0.037 0.000 1.192 25 L CA 0.046 54.878 54.840 -0.014 0.000 0.984 25 L CB -0.054 41.997 42.059 -0.013 0.000 1.232 25 L HN 0.440 nan 8.230 nan 0.000 0.465 26 E N -0.129 120.055 120.200 -0.026 0.000 2.206 26 E HA -0.007 4.340 4.350 -0.004 0.000 0.195 26 E C 1.055 177.637 176.600 -0.030 0.000 0.935 26 E CA 0.300 56.682 56.400 -0.029 0.000 0.875 26 E CB 0.461 30.149 29.700 -0.020 0.000 0.841 26 E HN 0.331 nan 8.360 nan 0.000 0.477 27 E N 0.408 120.593 120.200 -0.025 0.000 2.481 27 E HA 0.157 4.505 4.350 -0.004 0.000 0.198 27 E C 0.040 176.619 176.600 -0.035 0.000 1.027 27 E CA 0.310 56.693 56.400 -0.028 0.000 0.900 27 E CB 1.267 30.954 29.700 -0.021 0.000 0.993 27 E HN -0.061 nan 8.360 nan 0.000 0.482 28 T N -0.303 114.232 114.554 -0.032 0.000 2.916 28 T HA 0.671 5.019 4.350 -0.004 0.000 0.305 28 T C -0.472 174.213 174.700 -0.026 0.000 1.119 28 T CA -0.536 61.546 62.100 -0.030 0.000 1.008 28 T CB 2.234 71.094 68.868 -0.013 0.000 1.129 28 T HN 0.124 nan 8.240 nan 0.000 0.480 29 G N 1.358 110.144 108.800 -0.023 0.000 2.694 29 G HA2 0.767 4.725 3.960 -0.004 0.000 0.290 29 G HA3 0.767 4.725 3.960 -0.004 0.000 0.290 29 G C -1.603 173.323 174.900 0.044 0.000 1.386 29 G CA -1.050 44.056 45.100 0.010 0.000 0.872 29 G HN 0.794 nan 8.290 nan 0.000 0.475 30 R N -0.759 119.799 120.500 0.098 0.000 2.711 30 R HA 0.698 5.035 4.340 -0.004 0.000 0.284 30 R C -1.039 175.332 176.300 0.118 0.000 0.968 30 R CA -0.874 55.286 56.100 0.099 0.000 0.924 30 R CB 2.145 32.497 30.300 0.087 0.000 1.162 30 R HN 0.245 nan 8.270 nan 0.000 0.465 31 V N 4.250 124.237 119.914 0.122 0.000 2.479 31 V HA 0.007 4.125 4.120 -0.004 0.000 0.281 31 V C 1.291 177.436 176.094 0.085 0.000 1.031 31 V CA 0.079 62.456 62.300 0.128 0.000 1.038 31 V CB 0.534 32.445 31.823 0.147 0.000 0.981 31 V HN 0.718 nan 8.190 nan 0.000 0.478 32 L N 3.956 125.229 121.223 0.084 0.000 2.049 32 L HA 0.091 4.429 4.340 -0.004 0.000 0.203 32 L C 1.033 177.924 176.870 0.035 0.000 1.074 32 L CA 1.163 56.036 54.840 0.055 0.000 0.749 32 L CB 0.011 42.110 42.059 0.068 0.000 0.907 32 L HN 0.824 nan 8.230 nan 0.000 0.439 33 S N -1.403 114.319 115.700 0.036 0.000 2.556 33 S HA 0.673 5.141 4.470 -0.004 0.000 0.271 33 S C -0.996 173.610 174.600 0.010 0.000 1.135 33 S CA -0.766 57.444 58.200 0.017 0.000 0.858 33 S CB 2.726 65.932 63.200 0.009 0.000 1.114 33 S HN 0.035 nan 8.310 nan 0.000 0.468 34 I N 0.291 120.856 120.570 -0.009 0.000 2.827 34 I HA 0.828 4.996 4.170 -0.004 0.000 0.298 34 I C 0.382 176.477 176.117 -0.036 0.000 1.235 34 I CA 0.684 61.966 61.300 -0.030 0.000 1.021 34 I CB 1.735 39.706 38.000 -0.049 0.000 1.259 34 I HN 1.284 nan 8.210 nan 0.000 0.427 35 G N 3.938 112.710 108.800 -0.048 0.000 3.259 35 G HA2 -0.116 3.842 3.960 -0.004 0.000 0.217 35 G HA3 -0.116 3.842 3.960 -0.004 0.000 0.217 35 G C 0.266 175.138 174.900 -0.047 0.000 0.993 35 G CA 0.048 45.121 45.100 -0.045 0.000 0.836 35 G HN 0.529 nan 8.290 nan 0.000 0.514 36 D N 1.486 121.857 120.400 -0.048 0.000 2.370 36 D HA 0.355 4.993 4.640 -0.004 0.000 0.230 36 D C 1.827 178.087 176.300 -0.066 0.000 1.143 36 D CA 1.044 55.013 54.000 -0.052 0.000 0.834 36 D CB -0.114 40.657 40.800 -0.048 0.000 0.944 36 D HN 0.966 nan 8.370 nan 0.000 0.504 37 G N 0.953 109.710 108.800 -0.072 0.000 2.175 37 G HA2 -0.262 3.696 3.960 -0.004 0.000 0.265 37 G HA3 -0.262 3.696 3.960 -0.004 0.000 0.265 37 G C 0.329 175.170 174.900 -0.099 0.000 0.979 37 G CA -0.089 44.957 45.100 -0.090 0.000 0.663 37 G HN 0.332 nan 8.290 nan 0.000 0.533 38 I N 0.660 121.184 120.570 -0.077 0.000 2.447 38 I HA 0.650 4.818 4.170 -0.004 0.000 0.287 38 I C 0.401 176.499 176.117 -0.032 0.000 1.023 38 I CA -1.133 60.132 61.300 -0.057 0.000 1.083 38 I CB 1.462 39.432 38.000 -0.050 0.000 1.245 38 I HN 0.279 nan 8.210 nan 0.000 0.434 39 A N 7.599 130.419 122.820 -0.001 0.000 2.252 39 A HA 0.602 4.920 4.320 -0.004 0.000 0.309 39 A C 0.082 177.712 177.584 0.076 0.000 1.285 39 A CA -0.662 51.403 52.037 0.045 0.000 0.900 39 A CB 0.422 19.491 19.000 0.116 0.000 1.157 39 A HN 0.559 nan 8.150 nan 0.000 0.536 40 R N 1.825 122.359 120.500 0.058 0.000 2.265 40 R HA 0.409 4.746 4.340 -0.004 0.000 0.314 40 R C -1.012 175.341 176.300 0.088 0.000 1.053 40 R CA -0.225 55.911 56.100 0.060 0.000 0.931 40 R CB 1.031 31.357 30.300 0.043 0.000 1.024 40 R HN 0.414 nan 8.270 nan 0.000 0.457 41 V N 3.841 123.806 119.914 0.085 0.000 2.409 41 V HA 0.113 4.231 4.120 -0.004 0.000 0.290 41 V C -0.006 176.136 176.094 0.081 0.000 1.017 41 V CA -0.994 61.362 62.300 0.094 0.000 0.841 41 V CB 1.226 33.094 31.823 0.075 0.000 1.003 41 V HN 0.736 nan 8.190 nan 0.000 0.426 42 H N 3.811 122.895 119.070 0.023 0.000 2.815 42 H HA 0.542 5.092 4.556 -0.009 0.000 0.350 42 H C 0.812 176.144 175.328 0.007 0.000 1.080 42 H CA 1.965 58.021 56.048 0.014 0.000 1.433 42 H CB 0.882 30.652 29.762 0.013 0.000 1.432 42 H HN 1.107 nan 8.280 nan 0.000 0.592 43 G N 2.813 111.222 108.800 -0.651 0.000 2.496 43 G HA2 -0.251 3.706 3.960 -0.004 0.000 0.243 43 G HA3 -0.251 3.706 3.960 -0.004 0.000 0.243 43 G C 0.013 174.806 174.900 -0.178 0.000 1.176 43 G CA -0.338 44.534 45.100 -0.379 0.000 0.940 43 G HN 1.256 nan 8.290 nan 0.000 0.573 44 L N -0.475 120.686 121.223 -0.103 0.000 3.660 44 L HA -0.210 4.127 4.340 -0.004 0.000 0.440 44 L C 2.168 178.997 176.870 -0.068 0.000 1.262 44 L CA 0.721 55.518 54.840 -0.073 0.000 0.837 44 L CB -0.670 41.349 42.059 -0.067 0.000 1.689 44 L HN 0.635 nan 8.230 nan 0.000 0.890 45 R N -0.018 120.440 120.500 -0.070 0.000 2.159 45 R HA -0.044 4.293 4.340 -0.004 0.000 0.237 45 R C 1.397 177.674 176.300 -0.040 0.000 1.131 45 R CA 1.220 57.284 56.100 -0.059 0.000 0.982 45 R CB -0.405 29.862 30.300 -0.056 0.000 0.868 45 R HN 0.553 nan 8.270 nan 0.000 0.453 46 N N 0.510 119.189 118.700 -0.034 0.000 2.270 46 N HA 0.021 4.759 4.740 -0.004 0.000 0.198 46 N C -0.094 175.402 175.510 -0.023 0.000 1.117 46 N CA 0.020 53.055 53.050 -0.025 0.000 0.845 46 N CB 0.547 39.021 38.487 -0.021 0.000 0.980 46 N HN -0.014 nan 8.380 nan 0.000 0.486 47 V N -0.141 119.756 119.914 -0.027 0.000 2.843 47 V HA 0.086 4.204 4.120 -0.004 0.000 0.305 47 V C 0.584 176.671 176.094 -0.012 0.000 1.065 47 V CA -0.577 61.710 62.300 -0.022 0.000 1.116 47 V CB 0.446 32.254 31.823 -0.025 0.000 0.968 47 V HN 0.070 nan 8.190 nan 0.000 0.487 48 Q N 1.950 121.747 119.800 -0.006 0.000 2.221 48 Q HA 0.659 4.997 4.340 -0.004 0.000 0.242 48 Q C 0.262 176.268 176.000 0.010 0.000 0.940 48 Q CA -0.456 55.348 55.803 0.002 0.000 0.896 48 Q CB 1.338 30.078 28.738 0.003 0.000 1.226 48 Q HN 1.081 nan 8.270 nan 0.000 0.463 49 A N 1.517 124.346 122.820 0.014 0.000 2.540 49 A HA -0.004 4.314 4.320 -0.004 0.000 0.239 49 A C 0.172 177.774 177.584 0.031 0.000 1.061 49 A CA 0.314 52.366 52.037 0.024 0.000 0.758 49 A CB -0.260 18.755 19.000 0.025 0.000 0.991 49 A HN 0.956 nan 8.150 nan 0.000 0.502 50 E N -0.803 119.425 120.200 0.046 0.000 3.170 50 E HA -0.217 4.131 4.350 -0.004 0.000 0.284 50 E C 0.169 176.804 176.600 0.058 0.000 0.967 50 E CA 1.279 57.716 56.400 0.061 0.000 0.919 50 E CB -1.197 28.530 29.700 0.045 0.000 1.469 50 E HN 0.893 nan 8.360 nan 0.000 0.444 51 E N 0.649 120.877 120.200 0.047 0.000 2.301 51 E HA 0.306 4.653 4.350 -0.004 0.000 0.275 51 E C -0.105 176.528 176.600 0.056 0.000 1.030 51 E CA -0.589 55.831 56.400 0.035 0.000 0.852 51 E CB 0.768 30.476 29.700 0.013 0.000 1.060 51 E HN 0.038 nan 8.360 nan 0.000 0.401 52 M N 4.864 124.493 119.600 0.048 0.000 2.219 52 M HA 0.098 4.576 4.480 -0.004 0.000 0.353 52 M C -0.903 175.409 176.300 0.020 0.000 1.304 52 M CA -0.104 55.236 55.300 0.066 0.000 1.115 52 M CB 0.749 33.370 32.600 0.034 0.000 1.664 52 M HN 0.358 nan 8.290 nan 0.000 0.459 53 V N 1.588 121.506 119.914 0.006 0.000 3.096 53 V HA 0.716 4.834 4.120 -0.004 0.000 0.319 53 V C -0.736 175.265 176.094 -0.154 0.000 1.103 53 V CA -0.859 61.368 62.300 -0.121 0.000 1.016 53 V CB 1.911 33.589 31.823 -0.242 0.000 1.090 53 V HN 0.838 nan 8.190 nan 0.000 0.449 54 E N 0.536 120.585 120.200 -0.251 0.000 2.283 54 E HA 0.498 4.846 4.350 -0.004 0.000 0.258 54 E C -1.691 174.791 176.600 -0.198 0.000 0.893 54 E CA -0.534 55.786 56.400 -0.132 0.000 0.798 54 E CB 1.537 31.213 29.700 -0.040 0.000 1.242 54 E HN 0.631 nan 8.360 nan 0.000 0.414 55 F N 1.180 121.157 119.950 0.045 0.000 2.406 55 F HA 0.026 4.548 4.527 -0.008 0.000 0.327 55 F C 2.090 177.909 175.800 0.031 0.000 1.153 55 F CA 0.125 58.148 58.000 0.037 0.000 1.218 55 F CB 1.122 40.144 39.000 0.038 0.000 1.215 55 F HN 0.510 nan 8.300 nan 0.000 0.570 56 S N -0.769 115.059 115.700 0.213 0.000 2.442 56 S HA -0.168 4.300 4.470 -0.004 0.000 0.236 56 S C 1.432 176.099 174.600 0.111 0.000 1.007 56 S CA 1.152 59.424 58.200 0.121 0.000 0.965 56 S CB -0.811 62.447 63.200 0.097 0.000 0.773 56 S HN 0.620 nan 8.310 nan 0.000 0.504 57 S N -0.043 115.740 115.700 0.139 0.000 2.593 57 S HA 0.543 5.011 4.470 -0.004 0.000 0.217 57 S C 1.550 176.208 174.600 0.096 0.000 0.966 57 S CA 0.157 58.413 58.200 0.094 0.000 0.914 57 S CB -0.173 63.066 63.200 0.065 0.000 0.776 57 S HN 1.265 nan 8.310 nan 0.000 0.523 58 G N 0.972 109.847 108.800 0.125 0.000 2.213 58 G HA2 -0.222 3.735 3.960 -0.004 0.000 0.236 58 G HA3 -0.222 3.735 3.960 -0.004 0.000 0.236 58 G C 0.006 174.992 174.900 0.143 0.000 0.991 58 G CA -0.100 45.066 45.100 0.109 0.000 0.629 58 G HN 0.479 nan 8.290 nan 0.000 0.517 59 L N 1.125 122.463 121.223 0.192 0.000 2.461 59 L HA 0.327 4.665 4.340 -0.004 0.000 0.272 59 L C 0.706 177.804 176.870 0.380 0.000 1.197 59 L CA -0.083 54.898 54.840 0.236 0.000 0.836 59 L CB 0.507 42.650 42.059 0.141 0.000 1.105 59 L HN 0.021 nan 8.230 nan 0.000 0.477 60 K N 1.696 122.304 120.400 0.347 0.000 2.095 60 K HA 0.706 5.024 4.320 -0.004 0.000 0.252 60 K C -0.022 176.926 176.600 0.580 0.000 0.977 60 K CA -0.455 56.053 56.287 0.369 0.000 0.900 60 K CB 1.858 34.501 32.500 0.239 0.000 1.060 60 K HN 0.758 nan 8.250 nan 0.000 0.449 61 G N 0.079 109.200 108.800 0.534 0.000 2.695 61 G HA2 0.624 4.582 3.960 -0.004 0.000 0.290 61 G HA3 0.624 4.582 3.960 -0.004 0.000 0.290 61 G C -1.619 173.547 174.900 0.443 0.000 1.410 61 G CA -0.683 44.739 45.100 0.537 0.000 0.844 61 G HN 0.456 nan 8.290 nan 0.000 0.478 62 M N 0.980 120.766 119.600 0.310 0.000 2.259 62 M HA 0.531 5.009 4.480 -0.004 0.000 0.304 62 M C -0.659 175.720 176.300 0.132 0.000 1.019 62 M CA -0.532 54.936 55.300 0.280 0.000 0.922 62 M CB 1.904 34.765 32.600 0.435 0.000 1.600 62 M HN 0.384 nan 8.290 nan 0.000 0.433 63 S N 4.583 120.341 115.700 0.096 0.000 2.465 63 S HA 0.170 4.638 4.470 -0.004 0.000 0.280 63 S C 0.284 174.919 174.600 0.058 0.000 1.232 63 S CA -0.485 57.749 58.200 0.056 0.000 1.066 63 S CB 0.885 64.104 63.200 0.031 0.000 0.929 63 S HN 0.707 nan 8.310 nan 0.000 0.494 64 L N 4.395 125.644 121.223 0.044 0.000 2.519 64 L HA 0.457 4.795 4.340 -0.004 0.000 0.194 64 L C -0.019 176.868 176.870 0.029 0.000 1.072 64 L CA 1.007 55.872 54.840 0.040 0.000 0.845 64 L CB 0.017 42.092 42.059 0.026 0.000 1.138 64 L HN 0.445 nan 8.230 nan 0.000 0.487 65 N N 0.369 119.080 118.700 0.020 0.000 2.485 65 N HA 0.439 5.177 4.740 -0.004 0.000 0.243 65 N C -1.331 174.186 175.510 0.011 0.000 0.987 65 N CA -0.051 53.007 53.050 0.014 0.000 0.940 65 N CB 0.742 39.234 38.487 0.009 0.000 1.122 65 N HN 0.102 nan 8.380 nan 0.000 0.509 66 L N 2.583 123.812 121.223 0.010 0.000 2.328 66 L HA 0.320 4.658 4.340 -0.004 0.000 0.280 66 L C 0.287 177.158 176.870 0.001 0.000 1.111 66 L CA -0.215 54.626 54.840 0.002 0.000 0.909 66 L CB 0.082 42.142 42.059 0.002 0.000 1.277 66 L HN 0.401 nan 8.230 nan 0.000 0.433 67 E N 3.183 123.382 120.200 -0.001 0.000 2.232 67 E HA 0.278 4.625 4.350 -0.004 0.000 0.265 67 E C -1.594 175.003 176.600 -0.006 0.000 1.001 67 E CA -1.873 54.527 56.400 -0.000 0.000 0.870 67 E CB 1.329 31.032 29.700 0.004 0.000 1.175 67 E HN 0.227 nan 8.360 nan 0.000 0.407 68 P HA -0.202 nan 4.420 nan 0.000 0.216 68 P C 0.335 177.629 177.300 -0.009 0.000 1.154 68 P CA 1.539 64.636 63.100 -0.005 0.000 0.865 68 P CB 0.118 31.819 31.700 0.002 0.000 0.789 69 D N -2.758 117.643 120.400 0.001 0.000 2.513 69 D HA 0.096 4.734 4.640 -0.004 0.000 0.222 69 D C 0.002 176.311 176.300 0.014 0.000 1.210 69 D CA -0.493 53.513 54.000 0.011 0.000 0.825 69 D CB -0.898 39.930 40.800 0.046 0.000 1.037 69 D HN 0.345 nan 8.370 nan 0.000 0.506 70 N N -1.745 116.953 118.700 -0.003 0.000 3.046 70 N HA 0.421 5.159 4.740 -0.004 0.000 0.243 70 N C -2.074 173.434 175.510 -0.005 0.000 1.452 70 N CA -0.974 52.078 53.050 0.004 0.000 0.882 70 N CB 1.448 39.957 38.487 0.036 0.000 1.425 70 N HN -0.199 nan 8.380 nan 0.000 0.517 71 V N 0.074 119.991 119.914 0.005 0.000 2.448 71 V HA 0.747 4.865 4.120 -0.004 0.000 0.295 71 V C 0.536 176.647 176.094 0.028 0.000 1.025 71 V CA -0.566 61.740 62.300 0.009 0.000 0.859 71 V CB 1.250 33.072 31.823 -0.002 0.000 0.988 71 V HN 0.886 nan 8.190 nan 0.000 0.431 72 G N 3.769 112.583 108.800 0.023 0.000 2.351 72 G HA2 0.492 4.450 3.960 -0.004 0.000 0.287 72 G HA3 0.492 4.450 3.960 -0.004 0.000 0.287 72 G C -0.682 174.239 174.900 0.035 0.000 1.159 72 G CA -0.126 44.989 45.100 0.024 0.000 0.929 72 G HN 0.541 nan 8.290 nan 0.000 0.435 73 V N 4.019 123.969 119.914 0.059 0.000 2.409 73 V HA 0.211 4.329 4.120 -0.004 0.000 0.291 73 V C 0.252 176.372 176.094 0.043 0.000 1.020 73 V CA -0.756 61.600 62.300 0.094 0.000 0.848 73 V CB 1.657 33.611 31.823 0.219 0.000 0.990 73 V HN 0.525 nan 8.190 nan 0.000 0.430 74 V N 5.958 125.849 119.914 -0.040 0.000 2.555 74 V HA 0.232 4.350 4.120 -0.004 0.000 0.286 74 V C 0.197 176.102 176.094 -0.315 0.000 1.044 74 V CA -0.175 62.008 62.300 -0.195 0.000 1.026 74 V CB 1.666 33.330 31.823 -0.266 0.000 0.981 74 V HN 0.608 nan 8.190 nan 0.000 0.480 75 V N 6.134 125.866 119.914 -0.303 0.000 2.370 75 V HA 0.326 4.443 4.120 -0.004 0.000 0.279 75 V C 0.053 175.988 176.094 -0.264 0.000 1.029 75 V CA -0.245 61.917 62.300 -0.230 0.000 0.870 75 V CB 1.121 32.807 31.823 -0.228 0.000 0.984 75 V HN 0.754 nan 8.190 nan 0.000 0.451 76 F N 4.425 124.436 119.950 0.100 0.000 2.833 76 F HA 0.581 5.109 4.527 0.002 0.000 0.327 76 F C 1.190 177.031 175.800 0.068 0.000 1.184 76 F CA 0.509 58.569 58.000 0.100 0.000 1.328 76 F CB 0.276 39.347 39.000 0.117 0.000 1.440 76 F HN 0.727 nan 8.300 nan 0.000 0.569 77 G N -0.018 108.859 108.800 0.128 0.000 2.344 77 G HA2 -0.027 3.931 3.960 -0.004 0.000 0.282 77 G HA3 -0.027 3.931 3.960 -0.004 0.000 0.282 77 G C -1.673 173.231 174.900 0.007 0.000 1.281 77 G CA -1.139 44.008 45.100 0.079 0.000 0.877 77 G HN -0.043 nan 8.290 nan 0.000 0.494 78 N N 1.840 120.539 118.700 -0.002 0.000 2.399 78 N HA 0.177 4.915 4.740 -0.004 0.000 0.259 78 N C 1.024 176.493 175.510 -0.068 0.000 1.160 78 N CA 0.218 53.252 53.050 -0.026 0.000 0.946 78 N CB 0.694 39.175 38.487 -0.010 0.000 1.156 78 N HN 0.518 nan 8.380 nan 0.000 0.489 79 D N 2.729 123.073 120.400 -0.094 0.000 2.371 79 D HA -0.147 4.490 4.640 -0.004 0.000 0.234 79 D C 1.165 177.403 176.300 -0.103 0.000 1.049 79 D CA 0.213 54.129 54.000 -0.139 0.000 0.907 79 D CB 0.176 40.880 40.800 -0.160 0.000 0.891 79 D HN 0.633 nan 8.370 nan 0.000 0.531 80 K N 1.356 121.715 120.400 -0.068 0.000 2.147 80 K HA -0.143 4.175 4.320 -0.004 0.000 0.205 80 K C 1.938 178.507 176.600 -0.052 0.000 1.049 80 K CA 0.658 56.915 56.287 -0.049 0.000 0.936 80 K CB -0.226 32.255 32.500 -0.031 0.000 0.722 80 K HN 0.182 nan 8.250 nan 0.000 0.446 81 L N 1.074 122.260 121.223 -0.062 0.000 2.465 81 L HA 0.116 4.453 4.340 -0.004 0.000 0.224 81 L C 0.837 177.665 176.870 -0.070 0.000 1.145 81 L CA 0.157 54.966 54.840 -0.052 0.000 0.834 81 L CB -0.017 42.019 42.059 -0.039 0.000 0.944 81 L HN 0.151 nan 8.230 nan 0.000 0.451 82 I N 0.214 120.711 120.570 -0.122 0.000 2.331 82 I HA 0.167 4.335 4.170 -0.004 0.000 0.292 82 I C 0.075 176.152 176.117 -0.066 0.000 0.998 82 I CA -0.096 61.122 61.300 -0.136 0.000 1.267 82 I CB 1.117 38.927 38.000 -0.316 0.000 1.386 82 I HN -0.005 nan 8.210 nan 0.000 0.476 83 K N 4.792 125.181 120.400 -0.019 0.000 2.281 83 K HA 0.335 4.652 4.320 -0.004 0.000 0.242 83 K C -0.489 176.122 176.600 0.019 0.000 0.971 83 K CA -0.931 55.355 56.287 -0.002 0.000 0.834 83 K CB 1.861 34.364 32.500 0.006 0.000 1.181 83 K HN 0.494 nan 8.250 nan 0.000 0.435 84 E N 0.465 120.674 120.200 0.015 0.000 2.415 84 E HA -0.017 4.331 4.350 -0.004 0.000 0.260 84 E C 0.368 176.985 176.600 0.029 0.000 1.016 84 E CA 1.010 57.424 56.400 0.024 0.000 0.924 84 E CB 0.097 29.804 29.700 0.012 0.000 0.961 84 E HN 0.818 nan 8.360 nan 0.000 0.459 85 G N 4.291 113.117 108.800 0.043 0.000 2.218 85 G HA2 -0.195 3.763 3.960 -0.004 0.000 0.216 85 G HA3 -0.195 3.763 3.960 -0.004 0.000 0.216 85 G C -0.170 174.764 174.900 0.057 0.000 0.994 85 G CA -0.040 45.084 45.100 0.040 0.000 0.637 85 G HN 0.624 nan 8.290 nan 0.000 0.505 86 D N 0.564 121.011 120.400 0.078 0.000 2.423 86 D HA 0.414 5.052 4.640 -0.004 0.000 0.238 86 D C 0.642 177.009 176.300 0.112 0.000 1.142 86 D CA 0.129 54.190 54.000 0.102 0.000 0.884 86 D CB 0.916 41.799 40.800 0.137 0.000 1.199 86 D HN 0.178 nan 8.370 nan 0.000 0.438 87 I N 1.569 122.193 120.570 0.090 0.000 2.395 87 I HA 0.078 4.246 4.170 -0.004 0.000 0.289 87 I C -0.152 175.985 176.117 0.033 0.000 1.023 87 I CA -0.203 61.131 61.300 0.056 0.000 1.350 87 I CB 1.201 39.223 38.000 0.036 0.000 1.409 87 I HN 0.007 nan 8.210 nan 0.000 0.507 88 V N 6.609 126.501 119.914 -0.037 0.000 2.495 88 V HA 0.512 4.630 4.120 -0.004 0.000 0.298 88 V C -0.196 175.812 176.094 -0.143 0.000 1.031 88 V CA -1.038 61.146 62.300 -0.193 0.000 0.871 88 V CB 1.596 33.224 31.823 -0.324 0.000 0.988 88 V HN 0.561 nan 8.190 nan 0.000 0.432 89 K N 3.228 123.535 120.400 -0.155 0.000 2.259 89 K HA 0.603 4.921 4.320 -0.004 0.000 0.252 89 K C -0.332 176.204 176.600 -0.107 0.000 0.936 89 K CA -0.882 55.346 56.287 -0.098 0.000 0.810 89 K CB 2.315 34.779 32.500 -0.059 0.000 1.143 89 K HN 0.568 nan 8.250 nan 0.000 0.427 90 R N 0.500 120.955 120.500 -0.076 0.000 2.698 90 R HA -0.043 4.295 4.340 -0.004 0.000 0.266 90 R C 1.079 177.352 176.300 -0.045 0.000 1.026 90 R CA 0.642 56.707 56.100 -0.058 0.000 1.102 90 R CB 0.171 30.446 30.300 -0.041 0.000 0.978 90 R HN 0.814 nan 8.270 nan 0.000 0.436 91 T N -2.085 112.448 114.554 -0.034 0.000 3.010 91 T HA 0.186 4.534 4.350 -0.004 0.000 0.257 91 T C 1.317 176.006 174.700 -0.018 0.000 1.020 91 T CA 0.313 62.398 62.100 -0.023 0.000 0.938 91 T CB 0.635 69.492 68.868 -0.018 0.000 1.049 91 T HN 0.816 nan 8.240 nan 0.000 0.522 92 G N 1.410 110.199 108.800 -0.018 0.000 2.234 92 G HA2 -0.053 3.905 3.960 -0.004 0.000 0.260 92 G HA3 -0.053 3.905 3.960 -0.004 0.000 0.260 92 G C 0.262 175.156 174.900 -0.010 0.000 0.987 92 G CA -0.082 45.010 45.100 -0.014 0.000 0.625 92 G HN 1.368 nan 8.290 nan 0.000 0.532 93 A N 0.880 123.694 122.820 -0.010 0.000 2.318 93 A HA 0.752 5.069 4.320 -0.004 0.000 0.324 93 A C 0.428 178.009 177.584 -0.005 0.000 1.170 93 A CA -0.701 51.330 52.037 -0.010 0.000 0.810 93 A CB 0.853 19.844 19.000 -0.015 0.000 1.198 93 A HN 0.515 nan 8.150 nan 0.000 0.484 94 I N 2.158 122.725 120.570 -0.004 0.000 2.752 94 I HA -0.021 4.147 4.170 -0.004 0.000 0.287 94 I C 0.714 176.825 176.117 -0.010 0.000 1.188 94 I CA 0.171 61.471 61.300 -0.000 0.000 1.427 94 I CB 0.551 38.549 38.000 -0.003 0.000 1.365 94 I HN 0.382 nan 8.210 nan 0.000 0.585 95 V N 6.680 126.590 119.914 -0.006 0.000 2.555 95 V HA -0.079 4.038 4.120 -0.004 0.000 0.299 95 V C 0.281 176.341 176.094 -0.057 0.000 1.012 95 V CA 0.314 62.591 62.300 -0.040 0.000 1.180 95 V CB -0.726 31.072 31.823 -0.040 0.000 0.887 95 V HN 0.911 nan 8.190 nan 0.000 0.476 96 D N 4.254 124.614 120.400 -0.066 0.000 2.636 96 D HA 0.763 5.401 4.640 -0.004 0.000 0.275 96 D C -0.606 175.652 176.300 -0.070 0.000 1.130 96 D CA -0.628 53.338 54.000 -0.057 0.000 1.031 96 D CB 2.210 42.986 40.800 -0.040 0.000 1.451 96 D HN 0.482 nan 8.370 nan 0.000 0.505 97 V N -5.164 114.716 119.914 -0.057 0.000 3.049 97 V HA 0.704 4.822 4.120 -0.004 0.000 0.309 97 V C -2.894 173.166 176.094 -0.057 0.000 1.148 97 V CA -2.156 60.109 62.300 -0.059 0.000 0.990 97 V CB 1.709 33.501 31.823 -0.052 0.000 1.039 97 V HN 0.600 nan 8.190 nan 0.000 0.430 98 P HA 0.337 nan 4.420 nan 0.000 0.268 98 P C -0.740 176.499 177.300 -0.103 0.000 1.208 98 P CA 0.181 63.234 63.100 -0.078 0.000 0.777 98 P CB 1.276 32.936 31.700 -0.066 0.000 0.875 99 V N 0.716 120.528 119.914 -0.169 0.000 3.120 99 V HA 0.789 4.907 4.120 -0.004 0.000 0.303 99 V C 0.240 176.017 176.094 -0.530 0.000 1.238 99 V CA 0.406 62.542 62.300 -0.274 0.000 1.008 99 V CB 2.026 33.725 31.823 -0.207 0.000 1.064 99 V HN 1.096 nan 8.190 nan 0.000 0.434 100 G N 2.449 110.693 108.800 -0.928 0.000 2.331 100 G HA2 0.009 3.967 3.960 -0.004 0.000 0.402 100 G HA3 0.009 3.967 3.960 -0.004 0.000 0.402 100 G C 0.004 174.494 174.900 -0.682 0.000 1.275 100 G CA 0.074 44.345 45.100 -1.382 0.000 1.003 100 G HN 0.612 nan 8.290 nan 0.000 0.500 101 E N 0.432 120.402 120.200 -0.383 0.000 2.216 101 E HA -0.078 4.269 4.350 -0.004 0.000 0.192 101 E C 2.085 178.689 176.600 0.007 0.000 0.988 101 E CA 1.138 57.521 56.400 -0.029 0.000 0.834 101 E CB 0.024 29.762 29.700 0.064 0.000 0.772 101 E HN 0.650 nan 8.360 nan 0.000 0.479 102 E N 1.096 121.261 120.200 -0.058 0.000 2.401 102 E HA -0.160 4.188 4.350 -0.004 0.000 0.199 102 E C 1.850 178.445 176.600 -0.008 0.000 1.023 102 E CA 0.584 56.969 56.400 -0.025 0.000 0.859 102 E CB -0.341 29.332 29.700 -0.045 0.000 0.780 102 E HN 0.331 nan 8.360 nan 0.000 0.523 103 L N 0.631 121.850 121.223 -0.007 0.000 2.492 103 L HA 0.096 4.433 4.340 -0.004 0.000 0.223 103 L C 1.110 178.022 176.870 0.070 0.000 1.132 103 L CA -0.012 54.842 54.840 0.023 0.000 0.850 103 L CB -0.123 41.947 42.059 0.018 0.000 0.966 103 L HN 0.013 nan 8.230 nan 0.000 0.454 104 L N -0.143 121.143 121.223 0.105 0.000 2.456 104 L HA 0.159 4.497 4.340 -0.004 0.000 0.272 104 L C 1.482 178.394 176.870 0.069 0.000 1.189 104 L CA 0.563 55.479 54.840 0.126 0.000 0.846 104 L CB 0.037 42.211 42.059 0.191 0.000 1.111 104 L HN 0.294 nan 8.230 nan 0.000 0.475 105 G N 1.192 110.017 108.800 0.040 0.000 2.155 105 G HA2 -0.230 3.727 3.960 -0.004 0.000 0.257 105 G HA3 -0.230 3.727 3.960 -0.004 0.000 0.257 105 G C 0.223 175.123 174.900 0.001 0.000 0.983 105 G CA -0.146 44.954 45.100 -0.000 0.000 0.676 105 G HN 0.456 nan 8.290 nan 0.000 0.528 106 R N -0.650 119.860 120.500 0.016 0.000 2.732 106 R HA 0.686 5.024 4.340 -0.004 0.000 0.278 106 R C -0.231 176.080 176.300 0.017 0.000 0.976 106 R CA -0.900 55.208 56.100 0.013 0.000 0.963 106 R CB 1.818 32.128 30.300 0.016 0.000 1.150 106 R HN 0.227 nan 8.270 nan 0.000 0.478 107 V N 2.775 122.697 119.914 0.013 0.000 2.357 107 V HA 0.436 4.554 4.120 -0.004 0.000 0.284 107 V C 0.242 176.350 176.094 0.023 0.000 1.018 107 V CA -0.842 61.471 62.300 0.021 0.000 0.841 107 V CB 1.360 33.191 31.823 0.013 0.000 0.991 107 V HN 0.576 nan 8.190 nan 0.000 0.437 108 V N 1.215 121.147 119.914 0.031 0.000 2.960 108 V HA 0.805 4.923 4.120 -0.004 0.000 0.315 108 V C -0.252 175.861 176.094 0.032 0.000 1.087 108 V CA -0.823 61.492 62.300 0.025 0.000 0.982 108 V CB 2.085 33.919 31.823 0.018 0.000 1.039 108 V HN 0.786 nan 8.190 nan 0.000 0.437 109 D N 2.469 122.887 120.400 0.028 0.000 2.440 109 D HA 0.430 5.067 4.640 -0.004 0.000 0.269 109 D C 1.188 177.504 176.300 0.028 0.000 1.249 109 D CA 0.089 54.110 54.000 0.036 0.000 1.055 109 D CB 1.026 41.850 40.800 0.039 0.000 1.104 109 D HN 0.812 nan 8.370 nan 0.000 0.561 110 A N -0.747 122.093 122.820 0.034 0.000 2.015 110 A HA -0.017 4.301 4.320 -0.004 0.000 0.219 110 A C 2.337 179.901 177.584 -0.033 0.000 1.163 110 A CA 0.739 52.786 52.037 0.016 0.000 0.646 110 A CB -0.795 18.234 19.000 0.049 0.000 0.806 110 A HN 0.525 nan 8.150 nan 0.000 0.448 111 L N -1.940 119.259 121.223 -0.040 0.000 2.418 111 L HA 0.159 4.497 4.340 -0.004 0.000 0.218 111 L C 1.920 178.756 176.870 -0.057 0.000 1.125 111 L CA 0.756 55.544 54.840 -0.087 0.000 0.835 111 L CB 0.023 42.037 42.059 -0.075 0.000 0.953 111 L HN 0.581 nan 8.230 nan 0.000 0.454 112 G N -1.008 107.776 108.800 -0.027 0.000 2.259 112 G HA2 -0.238 3.720 3.960 -0.004 0.000 0.217 112 G HA3 -0.238 3.720 3.960 -0.004 0.000 0.217 112 G C 0.197 175.090 174.900 -0.012 0.000 1.001 112 G CA -0.401 44.687 45.100 -0.020 0.000 0.627 112 G HN 0.308 nan 8.290 nan 0.000 0.501 113 N N 1.930 120.626 118.700 -0.007 0.000 2.357 113 N HA 0.377 5.115 4.740 -0.004 0.000 0.257 113 N C 0.728 176.242 175.510 0.006 0.000 1.250 113 N CA 0.919 53.969 53.050 0.001 0.000 0.862 113 N CB 0.939 39.431 38.487 0.009 0.000 1.066 113 N HN 0.864 nan 8.380 nan 0.000 0.468 114 A N 2.445 125.268 122.820 0.005 0.000 2.477 114 A HA 0.199 4.516 4.320 -0.004 0.000 0.246 114 A C 1.344 178.934 177.584 0.011 0.000 1.078 114 A CA -0.225 51.816 52.037 0.007 0.000 0.770 114 A CB -0.329 18.673 19.000 0.003 0.000 1.011 114 A HN 0.807 nan 8.150 nan 0.000 0.494 115 I N -0.903 119.675 120.570 0.014 0.000 4.081 115 I HA 0.251 4.418 4.170 -0.004 0.000 0.333 115 I C 0.278 176.402 176.117 0.011 0.000 1.413 115 I CA -0.003 61.306 61.300 0.016 0.000 1.110 115 I CB 0.424 38.438 38.000 0.022 0.000 1.082 115 I HN 0.463 nan 8.210 nan 0.000 0.402 116 D N 1.063 121.467 120.400 0.007 0.000 2.349 116 D HA 0.132 4.770 4.640 -0.004 0.000 0.214 116 D C 1.581 177.881 176.300 0.000 0.000 1.063 116 D CA 0.322 54.323 54.000 0.002 0.000 0.847 116 D CB 0.014 40.813 40.800 -0.002 0.000 0.933 116 D HN 0.365 nan 8.370 nan 0.000 0.513 117 G N 1.248 110.049 108.800 0.003 0.000 2.283 117 G HA2 -0.365 3.593 3.960 -0.004 0.000 0.280 117 G HA3 -0.365 3.593 3.960 -0.004 0.000 0.280 117 G C 0.503 175.402 174.900 -0.000 0.000 1.029 117 G CA 0.434 45.535 45.100 0.002 0.000 0.840 117 G HN 0.465 nan 8.290 nan 0.000 0.505 118 K N 0.172 120.571 120.400 -0.001 0.000 2.570 118 K HA 0.464 4.782 4.320 -0.004 0.000 0.210 118 K C 1.375 177.974 176.600 -0.002 0.000 1.048 118 K CA 0.196 56.482 56.287 -0.002 0.000 1.167 118 K CB 0.331 32.828 32.500 -0.004 0.000 0.892 118 K HN 1.393 nan 8.250 nan 0.000 0.480 119 G N 2.406 111.205 108.800 -0.001 0.000 2.796 119 G HA2 -0.204 3.753 3.960 -0.004 0.000 0.571 119 G HA3 -0.204 3.753 3.960 -0.004 0.000 0.571 119 G C -2.684 172.215 174.900 -0.002 0.000 1.370 119 G CA -1.294 43.805 45.100 -0.001 0.000 0.856 119 G HN 0.055 nan 8.290 nan 0.000 0.538 120 P HA 0.362 nan 4.420 nan 0.000 0.268 120 P C 0.530 177.825 177.300 -0.009 0.000 1.208 120 P CA -0.471 62.625 63.100 -0.006 0.000 0.777 120 P CB 0.327 32.022 31.700 -0.007 0.000 0.875 121 I N 1.360 121.922 120.570 -0.013 0.000 2.471 121 I HA 0.087 4.254 4.170 -0.004 0.000 0.286 121 I C 1.587 177.688 176.117 -0.026 0.000 1.079 121 I CA 0.266 61.554 61.300 -0.020 0.000 1.398 121 I CB -0.082 37.902 38.000 -0.026 0.000 1.403 121 I HN 0.496 nan 8.210 nan 0.000 0.530 122 G N 4.465 113.249 108.800 -0.027 0.000 3.452 122 G HA2 0.044 4.002 3.960 -0.004 0.000 0.258 122 G HA3 0.044 4.002 3.960 -0.004 0.000 0.258 122 G C 0.610 175.484 174.900 -0.045 0.000 1.305 122 G CA -0.154 44.928 45.100 -0.029 0.000 1.514 122 G HN 0.596 nan 8.290 nan 0.000 0.593 123 S N -0.682 114.985 115.700 -0.056 0.000 2.564 123 S HA 0.279 4.747 4.470 -0.004 0.000 0.278 123 S C 1.269 175.822 174.600 -0.079 0.000 1.333 123 S CA -0.167 57.982 58.200 -0.085 0.000 1.048 123 S CB 1.231 64.374 63.200 -0.094 0.000 0.900 123 S HN 0.432 nan 8.310 nan 0.000 0.505 124 K N 2.064 122.404 120.400 -0.099 0.000 2.399 124 K HA 0.386 4.703 4.320 -0.004 0.000 0.196 124 K C 0.347 176.902 176.600 -0.075 0.000 1.117 124 K CA 0.264 56.506 56.287 -0.075 0.000 0.965 124 K CB 0.630 33.093 32.500 -0.062 0.000 0.983 124 K HN 0.629 nan 8.250 nan 0.000 0.531 125 A N 1.004 123.758 122.820 -0.110 0.000 2.346 125 A HA 0.734 5.052 4.320 -0.004 0.000 0.313 125 A C -0.952 176.576 177.584 -0.093 0.000 1.140 125 A CA -0.665 51.320 52.037 -0.087 0.000 0.826 125 A CB 1.082 20.038 19.000 -0.073 0.000 1.332 125 A HN 0.076 nan 8.150 nan 0.000 0.457 126 R N -0.296 120.167 120.500 -0.062 0.000 2.725 126 R HA 0.633 4.971 4.340 -0.004 0.000 0.277 126 R C -0.928 175.350 176.300 -0.037 0.000 0.987 126 R CA -0.717 55.349 56.100 -0.056 0.000 0.901 126 R CB 2.690 32.962 30.300 -0.047 0.000 1.207 126 R HN 0.771 nan 8.270 nan 0.000 0.463 127 R N 1.424 121.904 120.500 -0.033 0.000 2.628 127 R HA 0.372 4.710 4.340 -0.004 0.000 0.288 127 R C -0.741 175.548 176.300 -0.017 0.000 0.980 127 R CA -0.839 55.252 56.100 -0.015 0.000 0.891 127 R CB 1.727 32.028 30.300 0.001 0.000 1.188 127 R HN 0.516 nan 8.270 nan 0.000 0.450 128 R N 1.670 122.162 120.500 -0.014 0.000 2.570 128 R HA -0.001 4.336 4.340 -0.004 0.000 0.277 128 R C 1.447 177.736 176.300 -0.019 0.000 1.039 128 R CA 0.119 56.206 56.100 -0.021 0.000 1.065 128 R CB 0.805 31.094 30.300 -0.018 0.000 0.964 128 R HN 0.554 nan 8.270 nan 0.000 0.428 129 V N 0.650 120.542 119.914 -0.036 0.000 3.041 129 V HA 0.069 4.186 4.120 -0.004 0.000 0.260 129 V C 1.166 177.228 176.094 -0.053 0.000 1.105 129 V CA 1.771 64.056 62.300 -0.025 0.000 1.125 129 V CB 0.056 31.851 31.823 -0.047 0.000 0.730 129 V HN 0.867 nan 8.190 nan 0.000 0.479 130 G N -0.030 108.719 108.800 -0.085 0.000 3.453 130 G HA2 0.366 4.324 3.960 -0.004 0.000 0.263 130 G HA3 0.366 4.324 3.960 -0.004 0.000 0.263 130 G C 0.336 175.201 174.900 -0.057 0.000 1.060 130 G CA -0.474 44.551 45.100 -0.124 0.000 0.793 130 G HN 0.449 nan 8.290 nan 0.000 0.532 131 L N 1.289 122.499 121.223 -0.022 0.000 2.540 131 L HA 0.091 4.429 4.340 -0.004 0.000 0.276 131 L C 1.001 177.873 176.870 0.003 0.000 1.212 131 L CA 0.022 54.860 54.840 -0.004 0.000 0.893 131 L CB 0.662 42.724 42.059 0.005 0.000 1.138 131 L HN 0.094 nan 8.230 nan 0.000 0.491 132 K N 3.146 123.552 120.400 0.009 0.000 2.401 132 K HA 0.259 4.576 4.320 -0.004 0.000 0.278 132 K C 0.044 176.652 176.600 0.012 0.000 1.018 132 K CA -0.501 55.797 56.287 0.020 0.000 0.981 132 K CB 0.783 33.299 32.500 0.027 0.000 0.933 132 K HN 0.682 nan 8.250 nan 0.000 0.477 133 A N 5.792 128.622 122.820 0.016 0.000 2.520 133 A HA 0.159 4.476 4.320 -0.004 0.000 0.235 133 A C -2.057 175.517 177.584 -0.017 0.000 1.065 133 A CA -1.027 51.012 52.037 0.004 0.000 0.764 133 A CB -0.531 18.475 19.000 0.011 0.000 1.002 133 A HN 0.616 nan 8.150 nan 0.000 0.502 134 P HA 0.034 nan 4.420 nan 0.000 0.261 134 P C 0.918 178.171 177.300 -0.079 0.000 1.165 134 P CA 1.075 64.121 63.100 -0.089 0.000 0.759 134 P CB 0.123 31.748 31.700 -0.124 0.000 0.772 135 G N 2.499 111.246 108.800 -0.087 0.000 2.393 135 G HA2 0.002 3.960 3.960 -0.004 0.000 0.268 135 G HA3 0.002 3.960 3.960 -0.004 0.000 0.268 135 G C 1.190 176.046 174.900 -0.073 0.000 1.472 135 G CA -0.381 44.681 45.100 -0.063 0.000 1.059 135 G HN 0.431 nan 8.290 nan 0.000 0.555 136 I N -0.182 120.356 120.570 -0.052 0.000 2.277 136 I HA -0.062 4.106 4.170 -0.004 0.000 0.243 136 I C 2.600 178.683 176.117 -0.056 0.000 1.094 136 I CA 0.393 61.669 61.300 -0.041 0.000 1.393 136 I CB -0.148 37.842 38.000 -0.016 0.000 1.078 136 I HN 0.220 nan 8.210 nan 0.000 0.417 137 I N 1.343 121.876 120.570 -0.061 0.000 2.179 137 I HA -0.147 4.021 4.170 -0.004 0.000 0.242 137 I C -0.298 175.766 176.117 -0.088 0.000 1.088 137 I CA 1.756 63.035 61.300 -0.035 0.000 1.357 137 I CB -2.640 35.373 38.000 0.021 0.000 1.051 137 I HN 0.163 nan 8.210 nan 0.000 0.409 138 P HA -0.029 nan 4.420 nan 0.000 0.239 138 P C 0.325 177.482 177.300 -0.239 0.000 1.184 138 P CA 0.770 63.476 63.100 -0.657 0.000 0.760 138 P CB 0.046 30.912 31.700 -1.390 0.000 0.884 139 R N -0.179 120.245 120.500 -0.127 0.000 2.596 139 R HA 0.711 5.049 4.340 -0.004 0.000 0.267 139 R C -0.175 176.123 176.300 -0.004 0.000 1.026 139 R CA -0.823 55.243 56.100 -0.057 0.000 1.087 139 R CB 1.330 31.600 30.300 -0.050 0.000 1.132 139 R HN 0.015 nan 8.270 nan 0.000 0.531 140 I N 0.068 120.645 120.570 0.011 0.000 2.827 140 I HA 0.166 4.334 4.170 -0.004 0.000 0.298 140 I C -0.411 175.717 176.117 0.018 0.000 1.235 140 I CA -0.622 60.691 61.300 0.021 0.000 1.021 140 I CB 2.320 40.341 38.000 0.035 0.000 1.259 140 I HN 0.855 nan 8.210 nan 0.000 0.427 141 S N 5.579 121.289 115.700 0.016 0.000 2.558 141 S HA 0.146 4.613 4.470 -0.004 0.000 0.287 141 S C 0.208 174.817 174.600 0.015 0.000 1.321 141 S CA -0.379 57.830 58.200 0.014 0.000 1.048 141 S CB 0.693 63.901 63.200 0.013 0.000 0.844 141 S HN 0.753 nan 8.310 nan 0.000 0.512 142 V N 1.841 121.762 119.914 0.013 0.000 2.999 142 V HA 0.483 4.601 4.120 -0.004 0.000 0.307 142 V C 1.044 177.139 176.094 0.003 0.000 1.084 142 V CA 0.235 62.541 62.300 0.010 0.000 1.155 142 V CB 0.342 32.169 31.823 0.006 0.000 0.975 142 V HN 1.219 nan 8.190 nan 0.000 0.490 143 R N 0.355 120.851 120.500 -0.007 0.000 2.366 143 R HA 0.327 4.665 4.340 -0.004 0.000 0.223 143 R C -0.108 176.169 176.300 -0.038 0.000 0.861 143 R CA -0.446 55.646 56.100 -0.014 0.000 1.226 143 R CB 0.124 30.422 30.300 -0.003 0.000 1.693 143 R HN 0.690 nan 8.270 nan 0.000 0.451 144 E N 3.389 123.553 120.200 -0.061 0.000 2.175 144 E HA 0.379 4.726 4.350 -0.004 0.000 0.278 144 E C -2.608 173.914 176.600 -0.130 0.000 0.969 144 E CA -2.464 53.866 56.400 -0.117 0.000 0.796 144 E CB 1.875 31.461 29.700 -0.189 0.000 1.104 144 E HN -0.037 nan 8.360 nan 0.000 0.395 145 P HA -0.028 nan 4.420 nan 0.000 0.268 145 P C -0.654 176.549 177.300 -0.163 0.000 1.205 145 P CA 0.042 63.074 63.100 -0.115 0.000 0.771 145 P CB 0.460 32.102 31.700 -0.096 0.000 0.858 146 M N 3.441 122.975 119.600 -0.111 0.000 2.131 146 M HA 0.124 4.602 4.480 -0.004 0.000 0.345 146 M C -0.567 175.699 176.300 -0.056 0.000 1.060 146 M CA -0.472 54.760 55.300 -0.114 0.000 1.011 146 M CB 0.285 32.839 32.600 -0.076 0.000 1.328 146 M HN 0.289 nan 8.290 nan 0.000 0.396 147 Q N 2.578 122.352 119.800 -0.044 0.000 2.300 147 Q HA 0.105 4.443 4.340 -0.004 0.000 0.262 147 Q C 1.441 177.486 176.000 0.074 0.000 1.109 147 Q CA 0.157 55.990 55.803 0.050 0.000 0.905 147 Q CB 0.481 29.315 28.738 0.159 0.000 1.280 147 Q HN 0.757 nan 8.270 nan 0.000 0.426 148 T N -0.995 113.587 114.554 0.047 0.000 2.821 148 T HA -0.042 4.306 4.350 -0.004 0.000 0.267 148 T C 1.321 176.053 174.700 0.054 0.000 1.046 148 T CA 0.990 63.118 62.100 0.048 0.000 1.139 148 T CB -0.008 68.881 68.868 0.035 0.000 0.871 148 T HN 0.793 nan 8.240 nan 0.000 0.454 149 G N 1.176 110.005 108.800 0.049 0.000 2.175 149 G HA2 -0.178 3.779 3.960 -0.004 0.000 0.244 149 G HA3 -0.178 3.779 3.960 -0.004 0.000 0.244 149 G C -0.009 174.905 174.900 0.023 0.000 0.982 149 G CA 0.013 45.133 45.100 0.033 0.000 0.641 149 G HN 0.675 nan 8.290 nan 0.000 0.527 150 I N 1.157 121.743 120.570 0.026 0.000 2.312 150 I HA 0.307 4.475 4.170 -0.004 0.000 0.290 150 I C 1.522 177.652 176.117 0.022 0.000 1.008 150 I CA -0.756 60.556 61.300 0.020 0.000 1.226 150 I CB 1.370 39.383 38.000 0.021 0.000 1.371 150 I HN -0.006 nan 8.210 nan 0.000 0.468 151 K N 4.356 124.768 120.400 0.020 0.000 2.020 151 K HA -0.245 4.073 4.320 -0.004 0.000 0.212 151 K C 2.098 178.715 176.600 0.028 0.000 1.050 151 K CA 1.920 58.222 56.287 0.025 0.000 0.929 151 K CB -0.240 32.276 32.500 0.026 0.000 0.714 151 K HN 0.797 nan 8.250 nan 0.000 0.443 152 A N 0.977 123.813 122.820 0.026 0.000 1.908 152 A HA -0.144 4.174 4.320 -0.004 0.000 0.218 152 A C 2.408 180.012 177.584 0.033 0.000 1.181 152 A CA 1.694 53.749 52.037 0.030 0.000 0.627 152 A CB -0.650 18.368 19.000 0.030 0.000 0.818 152 A HN 0.098 nan 8.150 nan 0.000 0.445 153 V N 0.246 120.178 119.914 0.031 0.000 2.255 153 V HA -0.177 3.941 4.120 -0.004 0.000 0.243 153 V C 2.156 178.268 176.094 0.029 0.000 1.038 153 V CA 2.088 64.407 62.300 0.032 0.000 1.008 153 V CB -0.846 30.995 31.823 0.030 0.000 0.645 153 V HN 0.450 nan 8.190 nan 0.000 0.449 154 D N 0.515 120.932 120.400 0.028 0.000 2.182 154 D HA -0.125 4.513 4.640 -0.004 0.000 0.201 154 D C 2.408 178.724 176.300 0.027 0.000 0.986 154 D CA 1.816 55.832 54.000 0.026 0.000 0.847 154 D CB -0.112 40.706 40.800 0.030 0.000 0.942 154 D HN 0.607 nan 8.370 nan 0.000 0.467 155 S N -0.653 115.065 115.700 0.030 0.000 2.387 155 S HA 0.050 4.518 4.470 -0.004 0.000 0.221 155 S C 2.105 176.724 174.600 0.031 0.000 1.041 155 S CA 0.198 58.417 58.200 0.031 0.000 0.959 155 S CB -0.302 62.918 63.200 0.034 0.000 0.843 155 S HN 0.182 nan 8.310 nan 0.000 0.488 156 L N 0.886 122.128 121.223 0.033 0.000 2.253 156 L HA 0.314 4.652 4.340 -0.004 0.000 0.205 156 L C 0.378 177.269 176.870 0.036 0.000 1.078 156 L CA 0.354 55.215 54.840 0.036 0.000 0.805 156 L CB 0.220 42.303 42.059 0.042 0.000 0.963 156 L HN 0.199 nan 8.230 nan 0.000 0.459 157 V N 1.022 120.957 119.914 0.036 0.000 2.611 157 V HA 0.229 4.347 4.120 -0.004 0.000 0.286 157 V C -2.294 173.817 176.094 0.028 0.000 1.118 157 V CA -1.282 61.040 62.300 0.036 0.000 1.334 157 V CB -0.189 31.660 31.823 0.044 0.000 1.555 157 V HN 0.061 nan 8.190 nan 0.000 0.594 158 P HA 0.304 nan 4.420 nan 0.000 0.271 158 P C -0.482 176.824 177.300 0.010 0.000 1.218 158 P CA 0.266 63.375 63.100 0.016 0.000 0.780 158 P CB 1.588 33.296 31.700 0.013 0.000 0.901 159 I N 1.201 121.773 120.570 0.003 0.000 2.530 159 I HA 0.555 4.723 4.170 -0.004 0.000 0.297 159 I C 0.901 177.006 176.117 -0.020 0.000 1.011 159 I CA -0.605 60.693 61.300 -0.004 0.000 1.107 159 I CB 2.247 40.245 38.000 -0.003 0.000 1.285 159 I HN 0.321 nan 8.210 nan 0.000 0.436 160 G N 3.499 112.287 108.800 -0.019 0.000 2.454 160 G HA2 0.575 4.533 3.960 -0.004 0.000 0.329 160 G HA3 0.575 4.533 3.960 -0.004 0.000 0.329 160 G C -0.695 174.189 174.900 -0.028 0.000 1.177 160 G CA -0.880 44.201 45.100 -0.031 0.000 0.951 160 G HN 0.518 nan 8.290 nan 0.000 0.485 161 R N 0.119 120.593 120.500 -0.043 0.000 2.351 161 R HA 0.423 4.761 4.340 -0.004 0.000 0.318 161 R C 1.114 177.433 176.300 0.031 0.000 1.055 161 R CA 1.133 57.225 56.100 -0.014 0.000 0.968 161 R CB 0.653 30.925 30.300 -0.047 0.000 0.974 161 R HN 1.024 nan 8.270 nan 0.000 0.439 162 G N 1.895 110.715 108.800 0.033 0.000 2.296 162 G HA2 -0.249 3.709 3.960 -0.004 0.000 0.188 162 G HA3 -0.249 3.709 3.960 -0.004 0.000 0.188 162 G C 0.055 174.968 174.900 0.022 0.000 1.000 162 G CA -0.160 44.961 45.100 0.035 0.000 0.672 162 G HN 0.594 nan 8.290 nan 0.000 0.483 163 Q N 0.455 120.263 119.800 0.015 0.000 2.312 163 Q HA 0.690 5.028 4.340 -0.004 0.000 0.236 163 Q C -0.340 175.668 176.000 0.014 0.000 0.965 163 Q CA -0.518 55.293 55.803 0.013 0.000 0.894 163 Q CB 0.543 29.287 28.738 0.009 0.000 1.225 163 Q HN 0.251 nan 8.270 nan 0.000 0.478 164 R N 2.185 122.696 120.500 0.018 0.000 2.265 164 R HA 0.342 4.680 4.340 -0.004 0.000 0.328 164 R C -1.336 174.976 176.300 0.019 0.000 0.969 164 R CA -0.549 55.564 56.100 0.021 0.000 0.832 164 R CB 1.438 31.753 30.300 0.026 0.000 1.139 164 R HN 0.566 nan 8.270 nan 0.000 0.457 165 E N 2.541 122.749 120.200 0.015 0.000 2.191 165 E HA 0.292 4.640 4.350 -0.004 0.000 0.263 165 E C -1.359 175.253 176.600 0.020 0.000 0.881 165 E CA -0.939 55.473 56.400 0.019 0.000 0.757 165 E CB 0.963 30.673 29.700 0.018 0.000 1.147 165 E HN 0.383 nan 8.360 nan 0.000 0.414 166 L N 5.441 126.680 121.223 0.027 0.000 2.380 166 L HA 0.430 4.768 4.340 -0.004 0.000 0.273 166 L C -0.888 176.006 176.870 0.040 0.000 1.138 166 L CA 0.265 55.122 54.840 0.028 0.000 0.832 166 L CB 0.452 42.531 42.059 0.033 0.000 1.124 166 L HN 0.650 nan 8.230 nan 0.000 0.454 167 I N 6.926 127.515 120.570 0.031 0.000 2.330 167 I HA 0.404 4.571 4.170 -0.004 0.000 0.289 167 I C -0.412 175.733 176.117 0.047 0.000 1.001 167 I CA -0.199 61.123 61.300 0.038 0.000 1.193 167 I CB 1.280 39.293 38.000 0.022 0.000 1.345 167 I HN 0.562 nan 8.210 nan 0.000 0.461 168 I N 5.408 126.027 120.570 0.081 0.000 2.619 168 I HA 0.857 5.024 4.170 -0.004 0.000 0.292 168 I C -0.443 175.738 176.117 0.107 0.000 1.100 168 I CA -0.010 61.365 61.300 0.125 0.000 1.043 168 I CB 1.993 40.112 38.000 0.199 0.000 1.239 168 I HN 0.692 nan 8.210 nan 0.000 0.420 169 G N 4.848 113.689 108.800 0.069 0.000 2.338 169 G HA2 0.175 4.133 3.960 -0.004 0.000 0.295 169 G HA3 0.175 4.133 3.960 -0.004 0.000 0.295 169 G C -1.894 173.000 174.900 -0.011 0.000 1.461 169 G CA -0.832 44.246 45.100 -0.038 0.000 0.817 169 G HN 0.494 nan 8.290 nan 0.000 0.556 170 D N 0.363 120.744 120.400 -0.031 0.000 2.364 170 D HA 0.296 4.934 4.640 -0.004 0.000 0.236 170 D C 1.373 177.629 176.300 -0.074 0.000 1.221 170 D CA 0.163 54.147 54.000 -0.026 0.000 0.891 170 D CB 0.422 41.205 40.800 -0.028 0.000 1.190 170 D HN 0.674 nan 8.370 nan 0.000 0.449 171 R N 0.820 121.288 120.500 -0.053 0.000 2.697 171 R HA 0.014 4.352 4.340 -0.004 0.000 0.265 171 R C -0.057 176.145 176.300 -0.163 0.000 1.009 171 R CA -0.211 55.844 56.100 -0.074 0.000 1.099 171 R CB 0.004 30.282 30.300 -0.036 0.000 0.965 171 R HN 0.236 nan 8.270 nan 0.000 0.428 172 Q N -0.287 119.394 119.800 -0.199 0.000 2.478 172 Q HA -0.157 4.180 4.340 -0.004 0.000 0.286 172 Q C 0.116 175.629 176.000 -0.812 0.000 1.299 172 Q CA 1.645 57.242 55.803 -0.344 0.000 0.826 172 Q CB -1.870 26.729 28.738 -0.232 0.000 1.199 172 Q HN 1.037 nan 8.270 nan 0.000 0.451 173 T N -5.326 108.835 114.554 -0.656 0.000 3.040 173 T HA 0.466 4.813 4.350 -0.004 0.000 0.266 173 T C 1.103 175.598 174.700 -0.341 0.000 1.005 173 T CA 0.817 62.437 62.100 -0.800 0.000 0.906 173 T CB 1.171 69.814 68.868 -0.375 0.000 1.082 173 T HN 0.889 nan 8.240 nan 0.000 0.531 174 G N 1.605 110.295 108.800 -0.184 0.000 2.145 174 G HA2 -0.186 3.772 3.960 -0.004 0.000 0.145 174 G HA3 -0.186 3.772 3.960 -0.004 0.000 0.145 174 G C 0.666 175.578 174.900 0.019 0.000 1.017 174 G CA 0.133 45.265 45.100 0.053 0.000 0.682 174 G HN 0.465 nan 8.290 nan 0.000 0.504 175 K N -0.147 120.241 120.400 -0.020 0.000 1.973 175 K HA -0.042 4.275 4.320 -0.004 0.000 0.210 175 K C 2.561 179.185 176.600 0.041 0.000 1.045 175 K CA 1.859 58.147 56.287 0.002 0.000 0.937 175 K CB -0.517 31.976 32.500 -0.012 0.000 0.721 175 K HN 0.240 nan 8.250 nan 0.000 0.438 176 T N 1.427 116.018 114.554 0.061 0.000 2.685 176 T HA -0.192 4.155 4.350 -0.004 0.000 0.268 176 T C 2.147 176.909 174.700 0.105 0.000 1.034 176 T CA 1.712 63.882 62.100 0.117 0.000 1.149 176 T CB -0.382 68.570 68.868 0.139 0.000 0.860 176 T HN 0.167 nan 8.240 nan 0.000 0.449 177 S N 0.717 116.461 115.700 0.072 0.000 2.381 177 S HA -0.144 4.324 4.470 -0.004 0.000 0.230 177 S C 2.005 176.636 174.600 0.051 0.000 1.052 177 S CA 1.109 59.339 58.200 0.050 0.000 1.068 177 S CB -0.473 62.739 63.200 0.020 0.000 0.918 177 S HN 0.355 nan 8.310 nan 0.000 0.448 178 I N 1.579 122.179 120.570 0.050 0.000 2.163 178 I HA -0.219 3.948 4.170 -0.004 0.000 0.243 178 I C 2.700 178.855 176.117 0.062 0.000 1.085 178 I CA 1.608 62.936 61.300 0.046 0.000 1.347 178 I CB -1.843 36.180 38.000 0.038 0.000 1.044 178 I HN 0.272 nan 8.210 nan 0.000 0.408 179 A N 1.054 123.925 122.820 0.083 0.000 1.902 179 A HA -0.155 4.163 4.320 -0.004 0.000 0.217 179 A C 2.245 179.902 177.584 0.120 0.000 1.181 179 A CA 1.281 53.382 52.037 0.107 0.000 0.623 179 A CB -0.532 18.566 19.000 0.163 0.000 0.818 179 A HN 0.271 nan 8.150 nan 0.000 0.443 180 I N 0.574 121.216 120.570 0.120 0.000 2.202 180 I HA -0.176 3.992 4.170 -0.004 0.000 0.242 180 I C 1.802 177.990 176.117 0.119 0.000 1.091 180 I CA 1.603 62.967 61.300 0.107 0.000 1.368 180 I CB -1.633 36.436 38.000 0.116 0.000 1.058 180 I HN 0.261 nan 8.210 nan 0.000 0.410 181 D N 0.470 120.939 120.400 0.116 0.000 2.117 181 D HA -0.134 4.504 4.640 -0.004 0.000 0.197 181 D C 2.201 178.554 176.300 0.089 0.000 0.987 181 D CA 1.444 55.508 54.000 0.106 0.000 0.829 181 D CB -0.310 40.528 40.800 0.062 0.000 0.961 181 D HN 0.229 nan 8.370 nan 0.000 0.460 182 T N 0.943 115.544 114.554 0.079 0.000 2.635 182 T HA -0.168 4.180 4.350 -0.004 0.000 0.267 182 T C 2.148 176.904 174.700 0.094 0.000 1.040 182 T CA 0.844 62.988 62.100 0.074 0.000 1.156 182 T CB -0.399 68.504 68.868 0.058 0.000 0.863 182 T HN 0.157 nan 8.240 nan 0.000 0.430 183 I N 0.556 121.195 120.570 0.115 0.000 2.118 183 I HA -0.197 3.971 4.170 -0.004 0.000 0.241 183 I C 2.313 178.570 176.117 0.233 0.000 1.070 183 I CA 1.586 62.989 61.300 0.171 0.000 1.327 183 I CB -0.410 37.679 38.000 0.150 0.000 1.034 183 I HN 0.243 nan 8.210 nan 0.000 0.405 184 I N 0.640 121.306 120.570 0.162 0.000 2.361 184 I HA -0.303 3.864 4.170 -0.004 0.000 0.251 184 I C 2.178 178.373 176.117 0.130 0.000 1.133 184 I CA 1.238 62.628 61.300 0.150 0.000 1.413 184 I CB -0.584 37.474 38.000 0.097 0.000 1.073 184 I HN 0.343 nan 8.210 nan 0.000 0.424 185 N N 0.757 119.513 118.700 0.093 0.000 2.289 185 N HA -0.191 4.547 4.740 -0.004 0.000 0.184 185 N C 1.785 177.287 175.510 -0.012 0.000 1.016 185 N CA 1.139 54.210 53.050 0.036 0.000 0.872 185 N CB 0.046 38.569 38.487 0.061 0.000 0.973 185 N HN 0.245 nan 8.380 nan 0.000 0.433 186 Q N 0.371 120.188 119.800 0.029 0.000 2.436 186 Q HA -0.070 4.268 4.340 -0.004 0.000 0.209 186 Q C 1.635 177.503 176.000 -0.219 0.000 0.965 186 Q CA 0.464 56.255 55.803 -0.021 0.000 0.910 186 Q CB -0.210 28.387 28.738 -0.235 0.000 0.980 186 Q HN 0.518 nan 8.270 nan 0.000 0.491 187 K N 1.800 122.135 120.400 -0.109 0.000 2.089 187 K HA -0.232 4.086 4.320 -0.004 0.000 0.210 187 K C 2.032 178.527 176.600 -0.174 0.000 1.048 187 K CA 1.744 58.021 56.287 -0.017 0.000 0.926 187 K CB -0.002 32.561 32.500 0.105 0.000 0.714 187 K HN 0.274 nan 8.250 nan 0.000 0.448 188 R N -0.490 119.795 120.500 -0.358 0.000 2.117 188 R HA -0.172 4.166 4.340 -0.004 0.000 0.243 188 R C 1.891 177.896 176.300 -0.492 0.000 1.143 188 R CA 2.043 57.842 56.100 -0.502 0.000 0.968 188 R CB -0.723 29.145 30.300 -0.720 0.000 0.863 188 R HN 0.219 nan 8.270 nan 0.000 0.444 189 F N 1.005 120.872 119.950 -0.138 0.000 2.317 189 F HA 0.203 4.727 4.527 -0.004 0.000 0.290 189 F C 1.725 177.422 175.800 -0.173 0.000 1.075 189 F CA -0.074 57.836 58.000 -0.151 0.000 1.380 189 F CB -0.396 38.495 39.000 -0.182 0.000 1.093 189 F HN -0.090 nan 8.300 nan 0.000 0.524 190 N N 0.247 118.903 118.700 -0.073 0.000 2.519 190 N HA -0.120 4.617 4.740 -0.004 0.000 0.186 190 N C 0.529 176.018 175.510 -0.036 0.000 1.062 190 N CA 1.002 53.961 53.050 -0.153 0.000 0.910 190 N CB -0.440 37.815 38.487 -0.386 0.000 0.958 190 N HN 0.287 nan 8.380 nan 0.000 0.445 191 D N -0.838 119.545 120.400 -0.027 0.000 2.369 191 D HA 0.140 4.778 4.640 -0.004 0.000 0.211 191 D C 1.123 177.419 176.300 -0.006 0.000 1.077 191 D CA 0.061 54.057 54.000 -0.005 0.000 0.842 191 D CB 0.157 40.949 40.800 -0.015 0.000 0.947 191 D HN 0.114 nan 8.370 nan 0.000 0.509 192 G N 0.016 108.815 108.800 -0.001 0.000 2.563 192 G HA2 0.306 4.264 3.960 -0.004 0.000 0.283 192 G HA3 0.306 4.264 3.960 -0.004 0.000 0.283 192 G C 0.988 175.902 174.900 0.023 0.000 1.309 192 G CA 0.090 45.198 45.100 0.013 0.000 1.022 192 G HN 0.116 nan 8.290 nan 0.000 0.501 193 T N -2.945 111.624 114.554 0.026 0.000 3.010 193 T HA 0.110 4.458 4.350 -0.004 0.000 0.257 193 T C 0.485 175.206 174.700 0.035 0.000 1.020 193 T CA 0.046 62.165 62.100 0.031 0.000 0.938 193 T CB 0.312 69.195 68.868 0.025 0.000 1.049 193 T HN 0.324 nan 8.240 nan 0.000 0.522 194 D N 2.625 123.045 120.400 0.033 0.000 2.359 194 D HA 0.055 4.693 4.640 -0.004 0.000 0.273 194 D C 1.150 177.471 176.300 0.035 0.000 1.362 194 D CA 0.085 54.104 54.000 0.031 0.000 1.010 194 D CB 0.491 41.309 40.800 0.031 0.000 1.090 194 D HN 0.154 nan 8.370 nan 0.000 0.521 195 E N 2.814 123.043 120.200 0.048 0.000 2.152 195 E HA -0.106 4.242 4.350 -0.004 0.000 0.192 195 E C 1.305 177.959 176.600 0.089 0.000 0.983 195 E CA 0.685 57.130 56.400 0.075 0.000 0.818 195 E CB 0.285 30.038 29.700 0.089 0.000 0.758 195 E HN 0.548 nan 8.360 nan 0.000 0.467 196 K N 0.325 120.765 120.400 0.067 0.000 2.296 196 K HA -0.007 4.311 4.320 -0.004 0.000 0.200 196 K C 1.764 178.335 176.600 -0.049 0.000 1.048 196 K CA 0.407 56.747 56.287 0.088 0.000 0.966 196 K CB 0.182 32.722 32.500 0.067 0.000 0.754 196 K HN -0.139 nan 8.250 nan 0.000 0.466 197 K N 1.459 121.801 120.400 -0.096 0.000 2.487 197 K HA 0.042 4.360 4.320 -0.004 0.000 0.192 197 K C 0.315 176.724 176.600 -0.319 0.000 1.027 197 K CA 0.398 56.540 56.287 -0.241 0.000 1.054 197 K CB 0.226 32.650 32.500 -0.128 0.000 0.824 197 K HN 0.163 nan 8.250 nan 0.000 0.510 198 K N 0.605 120.900 120.400 -0.175 0.000 2.090 198 K HA 0.290 4.608 4.320 -0.004 0.000 0.250 198 K C -0.505 175.907 176.600 -0.313 0.000 1.004 198 K CA -0.697 55.449 56.287 -0.236 0.000 0.919 198 K CB 0.877 33.239 32.500 -0.229 0.000 1.045 198 K HN -0.196 nan 8.250 nan 0.000 0.471 199 L N 2.364 123.299 121.223 -0.480 0.000 2.555 199 L HA 0.274 4.612 4.340 -0.004 0.000 0.264 199 L C -1.800 174.760 176.870 -0.516 0.000 0.972 199 L CA -0.331 54.279 54.840 -0.384 0.000 0.876 199 L CB 0.831 42.730 42.059 -0.267 0.000 1.216 199 L HN 0.447 nan 8.230 nan 0.000 0.415 200 Y N 3.175 123.312 120.300 -0.271 0.000 2.316 200 Y HA 0.492 5.040 4.550 -0.004 0.000 0.331 200 Y C 0.544 176.311 175.900 -0.222 0.000 1.083 200 Y CA -0.226 57.684 58.100 -0.316 0.000 1.206 200 Y CB 0.840 38.844 38.460 -0.760 0.000 1.195 200 Y HN 0.491 nan 8.280 nan 0.000 0.497 201 C N 4.525 123.880 119.300 0.092 0.000 2.391 201 C HA 0.753 5.210 4.460 -0.004 0.000 0.339 201 C C -0.057 174.983 174.990 0.083 0.000 1.205 201 C CA -1.181 57.888 59.018 0.086 0.000 1.937 201 C CB 0.291 28.128 27.740 0.162 0.000 2.341 201 C HN 0.666 nan 8.230 nan 0.000 0.516 202 I N 1.708 122.307 120.570 0.048 0.000 2.500 202 I HA 0.247 4.415 4.170 -0.004 0.000 0.286 202 I C -1.071 175.067 176.117 0.035 0.000 1.063 202 I CA -0.333 60.997 61.300 0.050 0.000 1.062 202 I CB 1.034 39.047 38.000 0.022 0.000 1.223 202 I HN 0.642 nan 8.210 nan 0.000 0.435 203 Y N 7.068 127.348 120.300 -0.034 0.000 2.369 203 Y HA 0.587 5.135 4.550 -0.003 0.000 0.337 203 Y C -0.663 175.220 175.900 -0.028 0.000 0.961 203 Y CA -0.686 57.388 58.100 -0.043 0.000 1.186 203 Y CB 1.082 39.530 38.460 -0.020 0.000 1.139 203 Y HN 0.283 nan 8.280 nan 0.000 0.494 204 V N 6.579 126.269 119.914 -0.372 0.000 2.348 204 V HA 0.504 4.622 4.120 -0.004 0.000 0.270 204 V C 0.144 176.058 176.094 -0.299 0.000 1.037 204 V CA -0.592 61.587 62.300 -0.201 0.000 0.872 204 V CB 0.637 32.420 31.823 -0.066 0.000 1.002 204 V HN 0.907 nan 8.190 nan 0.000 0.464 205 A N 7.103 129.884 122.820 -0.064 0.000 2.366 205 A HA 0.754 5.072 4.320 -0.004 0.000 0.322 205 A C -0.472 177.129 177.584 0.029 0.000 1.397 205 A CA -0.275 51.777 52.037 0.025 0.000 0.984 205 A CB -0.324 18.804 19.000 0.212 0.000 1.149 205 A HN 0.727 nan 8.150 nan 0.000 0.540 206 I N 2.196 122.769 120.570 0.004 0.000 2.330 206 I HA 0.566 4.734 4.170 -0.004 0.000 0.289 206 I C 1.222 177.370 176.117 0.051 0.000 1.001 206 I CA 0.750 62.070 61.300 0.033 0.000 1.193 206 I CB 1.412 39.423 38.000 0.018 0.000 1.345 206 I HN 0.894 nan 8.210 nan 0.000 0.461 207 G N 3.604 112.444 108.800 0.067 0.000 2.217 207 G HA2 -0.228 3.730 3.960 -0.004 0.000 0.246 207 G HA3 -0.228 3.730 3.960 -0.004 0.000 0.246 207 G C 0.455 175.395 174.900 0.066 0.000 0.990 207 G CA -0.344 44.798 45.100 0.069 0.000 0.627 207 G HN 0.558 nan 8.290 nan 0.000 0.522 208 Q N 0.436 120.279 119.800 0.072 0.000 2.584 208 Q HA 0.369 4.706 4.340 -0.004 0.000 0.235 208 Q C 0.364 176.403 176.000 0.065 0.000 1.079 208 Q CA 0.250 56.098 55.803 0.076 0.000 0.977 208 Q CB 0.457 29.259 28.738 0.106 0.000 1.293 208 Q HN 0.397 nan 8.270 nan 0.000 0.553 209 K N 1.041 121.476 120.400 0.058 0.000 2.298 209 K HA 0.023 4.341 4.320 -0.004 0.000 0.280 209 K C 0.991 177.620 176.600 0.048 0.000 1.032 209 K CA -0.051 56.264 56.287 0.047 0.000 0.958 209 K CB 0.708 33.231 32.500 0.039 0.000 0.978 209 K HN 0.470 nan 8.250 nan 0.000 0.472 210 R N 1.772 122.297 120.500 0.042 0.000 2.083 210 R HA -0.194 4.143 4.340 -0.004 0.000 0.237 210 R C 1.978 178.294 176.300 0.026 0.000 1.137 210 R CA 2.345 58.467 56.100 0.037 0.000 0.951 210 R CB -0.191 30.129 30.300 0.033 0.000 0.851 210 R HN 0.810 nan 8.270 nan 0.000 0.434 211 S N -0.743 114.970 115.700 0.022 0.000 2.400 211 S HA -0.150 4.318 4.470 -0.004 0.000 0.232 211 S C 1.818 176.424 174.600 0.010 0.000 1.025 211 S CA 1.787 59.995 58.200 0.013 0.000 0.993 211 S CB -0.612 62.597 63.200 0.014 0.000 0.808 211 S HN 0.407 nan 8.310 nan 0.000 0.478 212 T N 2.036 116.602 114.554 0.020 0.000 2.821 212 T HA 0.022 4.369 4.350 -0.004 0.000 0.267 212 T C 1.900 176.601 174.700 0.002 0.000 1.046 212 T CA 1.324 63.435 62.100 0.019 0.000 1.139 212 T CB -0.488 68.403 68.868 0.040 0.000 0.871 212 T HN 0.342 nan 8.240 nan 0.000 0.454 213 V N 1.747 121.670 119.914 0.016 0.000 2.323 213 V HA -0.075 4.042 4.120 -0.004 0.000 0.244 213 V C 2.953 179.027 176.094 -0.033 0.000 1.041 213 V CA 1.481 63.782 62.300 0.001 0.000 1.025 213 V CB -1.306 30.547 31.823 0.050 0.000 0.656 213 V HN 0.498 nan 8.190 nan 0.000 0.451 214 A N -0.575 122.236 122.820 -0.016 0.000 1.908 214 A HA -0.343 3.975 4.320 -0.004 0.000 0.218 214 A C 2.190 179.748 177.584 -0.044 0.000 1.181 214 A CA 2.329 54.351 52.037 -0.025 0.000 0.627 214 A CB -0.599 18.394 19.000 -0.012 0.000 0.818 214 A HN 0.589 nan 8.150 nan 0.000 0.445 215 Q N -0.894 118.882 119.800 -0.041 0.000 2.061 215 Q HA -0.147 4.191 4.340 -0.004 0.000 0.204 215 Q C 2.153 178.101 176.000 -0.086 0.000 0.984 215 Q CA 1.529 57.301 55.803 -0.052 0.000 0.846 215 Q CB -0.289 28.430 28.738 -0.031 0.000 0.902 215 Q HN 0.638 nan 8.270 nan 0.000 0.421 216 L N 0.582 121.742 121.223 -0.105 0.000 2.012 216 L HA -0.157 4.181 4.340 -0.004 0.000 0.210 216 L C 2.340 179.104 176.870 -0.177 0.000 1.073 216 L CA 2.162 56.900 54.840 -0.169 0.000 0.748 216 L CB -0.932 40.970 42.059 -0.262 0.000 0.891 216 L HN 0.352 nan 8.230 nan 0.000 0.431 217 V N -0.534 119.294 119.914 -0.144 0.000 2.515 217 V HA -0.245 3.873 4.120 -0.004 0.000 0.250 217 V C 2.670 178.692 176.094 -0.120 0.000 1.058 217 V CA 2.030 64.254 62.300 -0.128 0.000 1.064 217 V CB -0.593 31.177 31.823 -0.088 0.000 0.675 217 V HN 0.534 nan 8.190 nan 0.000 0.461 218 K N 1.564 121.901 120.400 -0.105 0.000 2.044 218 K HA -0.254 4.064 4.320 -0.004 0.000 0.210 218 K C 2.298 178.816 176.600 -0.137 0.000 1.049 218 K CA 2.511 58.736 56.287 -0.103 0.000 0.927 218 K CB -0.682 31.768 32.500 -0.083 0.000 0.713 218 K HN 0.513 nan 8.250 nan 0.000 0.443 219 R N 0.615 121.014 120.500 -0.167 0.000 2.081 219 R HA -0.002 4.336 4.340 -0.004 0.000 0.235 219 R C 2.146 178.311 176.300 -0.225 0.000 1.131 219 R CA 1.836 57.793 56.100 -0.238 0.000 0.960 219 R CB -0.711 29.420 30.300 -0.281 0.000 0.856 219 R HN 0.383 nan 8.270 nan 0.000 0.436 220 L N -0.362 120.746 121.223 -0.191 0.000 2.027 220 L HA -0.146 4.192 4.340 -0.004 0.000 0.206 220 L C 2.285 179.048 176.870 -0.180 0.000 1.074 220 L CA 1.975 56.705 54.840 -0.184 0.000 0.745 220 L CB -0.861 41.088 42.059 -0.183 0.000 0.898 220 L HN 0.300 nan 8.230 nan 0.000 0.433 221 T N -0.641 113.821 114.554 -0.154 0.000 2.624 221 T HA -0.248 4.100 4.350 -0.004 0.000 0.268 221 T C 1.461 176.088 174.700 -0.121 0.000 1.041 221 T CA 1.885 63.907 62.100 -0.129 0.000 1.159 221 T CB -0.383 68.424 68.868 -0.102 0.000 0.863 221 T HN 0.300 nan 8.240 nan 0.000 0.434 222 D N 1.133 121.457 120.400 -0.126 0.000 2.158 222 D HA -0.054 4.583 4.640 -0.004 0.000 0.197 222 D C 1.924 178.156 176.300 -0.114 0.000 0.995 222 D CA 1.262 55.191 54.000 -0.118 0.000 0.846 222 D CB -0.301 40.415 40.800 -0.142 0.000 0.941 222 D HN 0.481 nan 8.370 nan 0.000 0.456 223 A N -0.227 122.514 122.820 -0.131 0.000 2.275 223 A HA 0.106 4.424 4.320 -0.004 0.000 0.212 223 A C 0.644 178.171 177.584 -0.095 0.000 1.201 223 A CA 0.633 52.607 52.037 -0.105 0.000 0.843 223 A CB 0.136 19.074 19.000 -0.105 0.000 0.873 223 A HN 0.077 nan 8.150 nan 0.000 0.492 224 D N -2.853 117.476 120.400 -0.119 0.000 3.012 224 D HA -0.225 4.413 4.640 -0.004 0.000 0.222 224 D C 0.886 177.050 176.300 -0.226 0.000 1.167 224 D CA 1.202 55.127 54.000 -0.125 0.000 0.854 224 D CB -1.285 39.476 40.800 -0.064 0.000 1.107 224 D HN 0.517 nan 8.370 nan 0.000 0.421 225 A N -0.873 121.745 122.820 -0.337 0.000 2.030 225 A HA 0.109 4.426 4.320 -0.004 0.000 0.215 225 A C 2.015 179.035 177.584 -0.939 0.000 1.164 225 A CA 1.238 52.810 52.037 -0.774 0.000 0.697 225 A CB -0.235 18.539 19.000 -0.376 0.000 0.827 225 A HN 0.320 nan 8.150 nan 0.000 0.457 226 M N 1.272 120.602 119.600 -0.450 0.000 2.267 226 M HA -0.161 4.317 4.480 -0.004 0.000 0.263 226 M C 1.906 178.055 176.300 -0.252 0.000 1.063 226 M CA 1.982 57.107 55.300 -0.293 0.000 1.090 226 M CB -0.491 32.004 32.600 -0.175 0.000 1.392 226 M HN 0.507 nan 8.290 nan 0.000 0.422 227 K N -0.423 119.814 120.400 -0.271 0.000 2.515 227 K HA -0.159 4.159 4.320 -0.004 0.000 0.196 227 K C 0.190 176.798 176.600 0.013 0.000 1.038 227 K CA 1.321 57.546 56.287 -0.103 0.000 0.967 227 K CB -0.491 31.982 32.500 -0.045 0.000 0.780 227 K HN 0.625 nan 8.250 nan 0.000 0.483 228 Y N -1.166 119.161 120.300 0.045 0.000 2.707 228 Y HA 0.439 4.987 4.550 -0.004 0.000 0.249 228 Y C -0.637 175.304 175.900 0.068 0.000 1.166 228 Y CA -1.184 56.963 58.100 0.079 0.000 1.184 228 Y CB -0.112 38.338 38.460 -0.018 0.000 1.240 228 Y HN -0.197 nan 8.280 nan 0.000 0.547 229 T N 2.605 117.198 114.554 0.065 0.000 2.855 229 T HA 0.640 4.988 4.350 -0.004 0.000 0.281 229 T C -0.434 174.313 174.700 0.079 0.000 1.007 229 T CA -0.368 61.781 62.100 0.083 0.000 1.009 229 T CB 1.988 70.850 68.868 -0.010 0.000 0.983 229 T HN 0.133 nan 8.240 nan 0.000 0.455 230 I N 2.186 122.818 120.570 0.102 0.000 2.377 230 I HA 0.452 4.619 4.170 -0.004 0.000 0.293 230 I C -0.456 175.717 176.117 0.094 0.000 0.987 230 I CA -0.974 60.382 61.300 0.093 0.000 1.185 230 I CB 1.658 39.727 38.000 0.114 0.000 1.341 230 I HN 0.250 nan 8.210 nan 0.000 0.455 231 V N 7.092 127.055 119.914 0.082 0.000 2.370 231 V HA 0.342 4.460 4.120 -0.004 0.000 0.283 231 V C -0.116 176.034 176.094 0.092 0.000 1.023 231 V CA -0.657 61.711 62.300 0.113 0.000 0.857 231 V CB 1.753 33.627 31.823 0.086 0.000 0.985 231 V HN 0.405 nan 8.190 nan 0.000 0.443 232 V N 4.093 124.065 119.914 0.096 0.000 2.370 232 V HA 0.506 4.624 4.120 -0.004 0.000 0.283 232 V C 0.220 176.361 176.094 0.078 0.000 1.023 232 V CA -0.212 62.129 62.300 0.067 0.000 0.857 232 V CB 1.587 33.437 31.823 0.045 0.000 0.985 232 V HN 0.823 nan 8.190 nan 0.000 0.443 233 S N 3.827 119.570 115.700 0.072 0.000 2.478 233 S HA 0.810 5.278 4.470 -0.004 0.000 0.312 233 S C -0.212 174.430 174.600 0.069 0.000 1.094 233 S CA -0.055 58.192 58.200 0.079 0.000 1.081 233 S CB 1.274 64.521 63.200 0.077 0.000 1.007 233 S HN 1.158 nan 8.310 nan 0.000 0.475 234 A N 4.161 127.025 122.820 0.073 0.000 2.855 234 A HA 0.576 4.894 4.320 -0.004 0.000 0.313 234 A C 0.207 177.838 177.584 0.079 0.000 1.173 234 A CA -0.669 51.415 52.037 0.079 0.000 0.753 234 A CB 0.106 19.157 19.000 0.084 0.000 1.200 234 A HN 0.838 nan 8.150 nan 0.000 0.442 235 T N -1.385 113.213 114.554 0.073 0.000 2.849 235 T HA 0.606 4.953 4.350 -0.004 0.000 0.276 235 T C 1.658 176.397 174.700 0.065 0.000 0.971 235 T CA 0.052 62.193 62.100 0.069 0.000 0.949 235 T CB 1.094 69.999 68.868 0.062 0.000 1.093 235 T HN 1.207 nan 8.240 nan 0.000 0.545 236 A N 0.843 123.698 122.820 0.059 0.000 1.958 236 A HA -0.132 4.185 4.320 -0.004 0.000 0.221 236 A C 2.412 180.025 177.584 0.049 0.000 1.178 236 A CA 2.484 54.553 52.037 0.054 0.000 0.642 236 A CB -1.411 17.617 19.000 0.047 0.000 0.816 236 A HN 1.183 nan 8.150 nan 0.000 0.453 237 S N -0.990 114.738 115.700 0.046 0.000 2.556 237 S HA 0.107 4.575 4.470 -0.004 0.000 0.216 237 S C 0.004 174.632 174.600 0.046 0.000 0.970 237 S CA -0.307 57.917 58.200 0.041 0.000 0.912 237 S CB -0.177 63.043 63.200 0.034 0.000 0.790 237 S HN 0.430 nan 8.310 nan 0.000 0.504 238 D N 2.646 123.081 120.400 0.058 0.000 2.362 238 D HA 0.461 5.099 4.640 -0.004 0.000 0.242 238 D C 0.471 176.814 176.300 0.072 0.000 1.132 238 D CA 0.240 54.282 54.000 0.069 0.000 0.907 238 D CB 1.375 42.226 40.800 0.085 0.000 1.195 238 D HN 0.456 nan 8.370 nan 0.000 0.429 239 A N 1.152 124.016 122.820 0.073 0.000 2.466 239 A HA 0.337 4.655 4.320 -0.004 0.000 0.238 239 A C 1.350 178.989 177.584 0.091 0.000 1.074 239 A CA 0.428 52.502 52.037 0.062 0.000 0.774 239 A CB 0.335 19.360 19.000 0.043 0.000 1.015 239 A HN 0.638 nan 8.150 nan 0.000 0.498 240 A N 2.621 125.484 122.820 0.071 0.000 1.873 240 A HA -0.092 4.226 4.320 -0.004 0.000 0.218 240 A C -0.051 177.636 177.584 0.173 0.000 1.193 240 A CA 2.222 54.320 52.037 0.101 0.000 0.629 240 A CB -1.912 17.121 19.000 0.055 0.000 0.826 240 A HN 0.640 nan 8.150 nan 0.000 0.447 241 P HA -0.191 nan 4.420 nan 0.000 0.216 241 P C 1.523 179.106 177.300 0.472 0.000 1.154 241 P CA 1.108 64.347 63.100 0.232 0.000 0.865 241 P CB -0.189 31.468 31.700 -0.072 0.000 0.789 242 L N -1.017 120.425 121.223 0.366 0.000 2.012 242 L HA -0.257 4.080 4.340 -0.004 0.000 0.210 242 L C 2.717 179.740 176.870 0.254 0.000 1.073 242 L CA 1.727 56.770 54.840 0.339 0.000 0.748 242 L CB -0.912 41.285 42.059 0.231 0.000 0.891 242 L HN 0.040 nan 8.230 nan 0.000 0.431 243 Q N -1.212 118.724 119.800 0.226 0.000 2.084 243 Q HA -0.276 4.062 4.340 -0.004 0.000 0.202 243 Q C 2.119 178.248 176.000 0.216 0.000 0.978 243 Q CA 2.188 58.100 55.803 0.183 0.000 0.844 243 Q CB -0.386 28.450 28.738 0.163 0.000 0.898 243 Q HN 0.595 nan 8.270 nan 0.000 0.426 244 Y N 0.948 121.352 120.300 0.173 0.000 2.242 244 Y HA -0.212 4.338 4.550 0.001 0.000 0.291 244 Y C 1.944 178.001 175.900 0.260 0.000 1.137 244 Y CA 1.033 59.255 58.100 0.204 0.000 1.181 244 Y CB -0.185 38.439 38.460 0.273 0.000 0.989 244 Y HN 0.092 nan 8.280 nan 0.000 0.527 245 L N 1.199 122.432 121.223 0.018 0.000 2.109 245 L HA 0.064 4.401 4.340 -0.004 0.000 0.207 245 L C 2.531 179.395 176.870 -0.009 0.000 1.086 245 L CA 1.834 56.641 54.840 -0.054 0.000 0.760 245 L CB -1.347 40.786 42.059 0.123 0.000 0.910 245 L HN 0.308 nan 8.230 nan 0.000 0.437 246 A N 0.518 123.340 122.820 0.003 0.000 1.915 246 A HA -0.212 4.106 4.320 -0.004 0.000 0.220 246 A C 0.068 177.617 177.584 -0.057 0.000 1.198 246 A CA 2.418 54.450 52.037 -0.009 0.000 0.647 246 A CB -2.232 16.779 19.000 0.018 0.000 0.825 246 A HN 0.468 nan 8.150 nan 0.000 0.456 247 P HA -0.140 nan 4.420 nan 0.000 0.216 247 P C 0.960 178.087 177.300 -0.288 0.000 1.153 247 P CA 1.352 64.286 63.100 -0.277 0.000 0.848 247 P CB -0.244 31.012 31.700 -0.739 0.000 0.787 248 Y N -0.228 119.973 120.300 -0.164 0.000 2.163 248 Y HA -0.128 4.420 4.550 -0.004 0.000 0.288 248 Y C 2.686 178.543 175.900 -0.072 0.000 1.136 248 Y CA 1.324 59.337 58.100 -0.144 0.000 1.147 248 Y CB -1.402 36.925 38.460 -0.222 0.000 0.987 248 Y HN -0.103 nan 8.280 nan 0.000 0.509 249 S N 0.148 115.887 115.700 0.065 0.000 2.365 249 S HA -0.231 4.237 4.470 -0.004 0.000 0.225 249 S C 2.430 177.056 174.600 0.043 0.000 1.039 249 S CA 1.349 59.564 58.200 0.025 0.000 1.033 249 S CB -1.173 62.022 63.200 -0.008 0.000 0.887 249 S HN 0.687 nan 8.310 nan 0.000 0.447 250 G N 0.064 108.895 108.800 0.052 0.000 2.440 250 G HA2 -0.302 3.655 3.960 -0.004 0.000 0.218 250 G HA3 -0.302 3.655 3.960 -0.004 0.000 0.218 250 G C 1.731 176.693 174.900 0.104 0.000 1.154 250 G CA 1.150 46.295 45.100 0.075 0.000 0.767 250 G HN 0.601 nan 8.290 nan 0.000 0.552 251 C N 0.666 120.045 119.300 0.132 0.000 2.435 251 C HA 0.066 4.523 4.460 -0.004 0.000 0.279 251 C C 3.305 178.365 174.990 0.117 0.000 1.321 251 C CA 1.538 60.645 59.018 0.148 0.000 1.752 251 C CB -0.936 26.891 27.740 0.144 0.000 1.959 251 C HN 0.375 nan 8.230 nan 0.000 0.500 252 S N 0.799 116.555 115.700 0.093 0.000 2.368 252 S HA -0.144 4.324 4.470 -0.004 0.000 0.224 252 S C 1.721 176.377 174.600 0.094 0.000 1.029 252 S CA 1.849 60.094 58.200 0.075 0.000 0.988 252 S CB -0.449 62.776 63.200 0.042 0.000 0.838 252 S HN 0.637 nan 8.310 nan 0.000 0.462 253 M N 1.385 121.043 119.600 0.096 0.000 2.144 253 M HA -0.116 4.362 4.480 -0.004 0.000 0.260 253 M C 2.374 178.843 176.300 0.282 0.000 1.067 253 M CA 1.601 56.979 55.300 0.131 0.000 1.095 253 M CB -0.806 31.871 32.600 0.129 0.000 1.365 253 M HN 0.494 nan 8.290 nan 0.000 0.406 254 G N -0.343 108.616 108.800 0.264 0.000 2.394 254 G HA2 -0.167 3.791 3.960 -0.004 0.000 0.214 254 G HA3 -0.167 3.791 3.960 -0.004 0.000 0.214 254 G C 1.296 176.387 174.900 0.318 0.000 1.176 254 G CA 0.572 45.877 45.100 0.341 0.000 0.786 254 G HN 0.482 nan 8.290 nan 0.000 0.533 255 E N -0.423 119.884 120.200 0.178 0.000 2.160 255 E HA -0.231 4.117 4.350 -0.004 0.000 0.195 255 E C 1.989 178.623 176.600 0.056 0.000 0.991 255 E CA 1.000 57.462 56.400 0.103 0.000 0.810 255 E CB -0.314 29.428 29.700 0.070 0.000 0.742 255 E HN 0.563 nan 8.360 nan 0.000 0.466 256 Y N 0.633 120.877 120.300 -0.092 0.000 2.132 256 Y HA -0.324 4.223 4.550 -0.004 0.000 0.280 256 Y C 1.685 177.380 175.900 -0.341 0.000 1.193 256 Y CA 1.863 59.792 58.100 -0.286 0.000 1.157 256 Y CB -0.441 37.712 38.460 -0.512 0.000 0.966 256 Y HN -0.023 nan 8.280 nan 0.000 0.511 257 F N -0.481 119.373 119.950 -0.160 0.000 2.270 257 F HA 0.030 4.555 4.527 -0.004 0.000 0.295 257 F C 2.719 178.389 175.800 -0.218 0.000 1.087 257 F CA 1.312 59.157 58.000 -0.257 0.000 1.365 257 F CB -0.690 38.262 39.000 -0.080 0.000 1.056 257 F HN -0.136 nan 8.300 nan 0.000 0.506 258 R N 0.846 121.379 120.500 0.056 0.000 2.080 258 R HA -0.187 4.151 4.340 -0.004 0.000 0.236 258 R C 1.196 177.454 176.300 -0.071 0.000 1.137 258 R CA 2.271 58.363 56.100 -0.013 0.000 0.943 258 R CB -0.496 29.818 30.300 0.023 0.000 0.846 258 R HN 0.132 nan 8.270 nan 0.000 0.431 259 D N -0.072 120.277 120.400 -0.085 0.000 2.363 259 D HA -0.019 4.619 4.640 -0.004 0.000 0.226 259 D C 0.298 176.523 176.300 -0.124 0.000 1.020 259 D CA 0.500 54.458 54.000 -0.070 0.000 0.892 259 D CB 0.050 40.821 40.800 -0.048 0.000 0.900 259 D HN 0.237 nan 8.370 nan 0.000 0.531 260 N N -0.416 118.153 118.700 -0.219 0.000 2.235 260 N HA 0.135 4.873 4.740 -0.004 0.000 0.231 260 N C 0.913 176.313 175.510 -0.183 0.000 1.177 260 N CA 0.206 53.097 53.050 -0.264 0.000 0.874 260 N CB 1.473 39.641 38.487 -0.531 0.000 1.097 260 N HN 0.097 nan 8.380 nan 0.000 0.518 261 G N 0.979 109.693 108.800 -0.144 0.000 2.136 261 G HA2 -0.273 3.685 3.960 -0.004 0.000 0.242 261 G HA3 -0.273 3.685 3.960 -0.004 0.000 0.242 261 G C 0.161 174.962 174.900 -0.165 0.000 0.989 261 G CA 0.317 45.342 45.100 -0.125 0.000 0.682 261 G HN 0.296 nan 8.290 nan 0.000 0.522 262 K N -0.661 119.624 120.400 -0.192 0.000 2.331 262 K HA 0.677 4.995 4.320 -0.004 0.000 0.238 262 K C -0.616 175.805 176.600 -0.298 0.000 1.058 262 K CA -1.008 55.211 56.287 -0.112 0.000 0.871 262 K CB 1.224 33.809 32.500 0.141 0.000 1.292 262 K HN 0.278 nan 8.250 nan 0.000 0.470 263 H N -0.332 118.841 119.070 0.171 0.000 2.609 263 H HA 0.508 5.062 4.556 -0.004 0.000 0.344 263 H C -1.134 174.233 175.328 0.065 0.000 1.040 263 H CA -0.704 55.394 56.048 0.082 0.000 1.216 263 H CB 1.993 31.751 29.762 -0.006 0.000 1.529 263 H HN 0.670 nan 8.280 nan 0.000 0.519 264 A N 3.171 126.067 122.820 0.127 0.000 2.401 264 A HA 0.543 4.861 4.320 -0.004 0.000 0.310 264 A C -1.292 176.301 177.584 0.014 0.000 1.075 264 A CA -0.688 51.361 52.037 0.020 0.000 0.746 264 A CB 1.826 20.861 19.000 0.059 0.000 1.277 264 A HN 0.474 nan 8.150 nan 0.000 0.425 265 L N 2.372 123.579 121.223 -0.026 0.000 2.341 265 L HA 0.829 5.167 4.340 -0.004 0.000 0.278 265 L C -1.065 175.759 176.870 -0.076 0.000 1.005 265 L CA -0.414 54.401 54.840 -0.043 0.000 0.818 265 L CB 1.220 43.256 42.059 -0.038 0.000 1.259 265 L HN 0.698 nan 8.230 nan 0.000 0.418 266 I N 5.113 125.589 120.570 -0.156 0.000 2.608 266 I HA 0.546 4.714 4.170 -0.004 0.000 0.295 266 I C -1.285 174.534 176.117 -0.496 0.000 1.049 266 I CA -0.688 60.425 61.300 -0.311 0.000 1.063 266 I CB 1.816 39.588 38.000 -0.381 0.000 1.248 266 I HN 0.652 nan 8.210 nan 0.000 0.424 267 I N 7.372 127.631 120.570 -0.518 0.000 2.382 267 I HA 0.255 4.423 4.170 -0.004 0.000 0.286 267 I C -1.262 174.483 176.117 -0.619 0.000 1.002 267 I CA -0.244 60.763 61.300 -0.489 0.000 1.135 267 I CB 1.254 39.089 38.000 -0.276 0.000 1.288 267 I HN 0.397 nan 8.210 nan 0.000 0.448 268 Y N 4.405 124.555 120.300 -0.249 0.000 2.594 268 Y HA 0.302 4.850 4.550 -0.003 0.000 0.342 268 Y C 0.042 175.780 175.900 -0.269 0.000 1.010 268 Y CA -0.656 57.280 58.100 -0.274 0.000 1.270 268 Y CB 0.519 38.821 38.460 -0.263 0.000 1.125 268 Y HN 0.415 nan 8.280 nan 0.000 0.513 269 D N 3.806 124.073 120.400 -0.220 0.000 2.462 269 D HA 0.159 4.797 4.640 -0.004 0.000 0.249 269 D C -1.203 175.047 176.300 -0.084 0.000 1.117 269 D CA -0.411 53.473 54.000 -0.194 0.000 0.900 269 D CB 0.318 40.890 40.800 -0.380 0.000 1.039 269 D HN 0.685 nan 8.370 nan 0.000 0.516 270 D N 0.254 120.636 120.400 -0.030 0.000 2.523 270 D HA 0.249 4.887 4.640 -0.004 0.000 0.236 270 D C 0.915 177.192 176.300 -0.038 0.000 1.094 270 D CA -0.747 53.233 54.000 -0.033 0.000 0.942 270 D CB 1.271 42.066 40.800 -0.007 0.000 1.447 270 D HN 0.066 nan 8.370 nan 0.000 0.479 271 L N 0.377 121.546 121.223 -0.090 0.000 2.291 271 L HA -0.047 4.290 4.340 -0.004 0.000 0.214 271 L C 1.988 178.859 176.870 0.002 0.000 1.120 271 L CA 0.560 55.302 54.840 -0.164 0.000 0.799 271 L CB -0.383 41.359 42.059 -0.528 0.000 0.925 271 L HN 0.463 nan 8.230 nan 0.000 0.446 272 S N 0.311 116.026 115.700 0.026 0.000 2.359 272 S HA -0.239 4.229 4.470 -0.004 0.000 0.223 272 S C 1.957 176.630 174.600 0.121 0.000 1.039 272 S CA 1.542 59.792 58.200 0.083 0.000 1.042 272 S CB -0.141 63.102 63.200 0.071 0.000 0.915 272 S HN 0.376 nan 8.310 nan 0.000 0.439 273 K N 0.814 121.270 120.400 0.094 0.000 2.103 273 K HA -0.140 4.178 4.320 -0.004 0.000 0.207 273 K C 2.503 179.184 176.600 0.135 0.000 1.048 273 K CA 1.135 57.486 56.287 0.107 0.000 0.930 273 K CB -0.188 32.358 32.500 0.078 0.000 0.716 273 K HN 0.356 nan 8.250 nan 0.000 0.444 274 Q N 0.575 120.450 119.800 0.125 0.000 2.084 274 Q HA -0.147 4.191 4.340 -0.004 0.000 0.202 274 Q C 2.060 178.206 176.000 0.243 0.000 0.978 274 Q CA 1.524 57.424 55.803 0.162 0.000 0.844 274 Q CB -0.072 28.720 28.738 0.089 0.000 0.898 274 Q HN 0.324 nan 8.270 nan 0.000 0.426 275 A N 0.101 123.072 122.820 0.252 0.000 1.940 275 A HA -0.137 4.181 4.320 -0.004 0.000 0.219 275 A C 2.244 180.062 177.584 0.390 0.000 1.176 275 A CA 1.514 53.704 52.037 0.254 0.000 0.631 275 A CB -0.695 18.343 19.000 0.062 0.000 0.814 275 A HN 0.292 nan 8.150 nan 0.000 0.446 276 V N -0.122 119.987 119.914 0.325 0.000 2.295 276 V HA -0.281 3.837 4.120 -0.004 0.000 0.246 276 V C 3.073 179.279 176.094 0.187 0.000 1.049 276 V CA 1.931 64.384 62.300 0.255 0.000 1.024 276 V CB -1.317 30.615 31.823 0.181 0.000 0.648 276 V HN 0.636 nan 8.190 nan 0.000 0.447 277 A N -0.900 122.039 122.820 0.198 0.000 1.903 277 A HA -0.327 3.990 4.320 -0.004 0.000 0.219 277 A C 2.187 179.891 177.584 0.200 0.000 1.191 277 A CA 2.529 54.680 52.037 0.190 0.000 0.638 277 A CB -0.827 18.314 19.000 0.235 0.000 0.823 277 A HN 0.638 nan 8.150 nan 0.000 0.451 278 Y N -0.028 120.337 120.300 0.109 0.000 2.337 278 Y HA -0.056 4.494 4.550 0.001 0.000 0.293 278 Y C 2.484 178.397 175.900 0.020 0.000 1.123 278 Y CA 1.529 59.647 58.100 0.031 0.000 1.201 278 Y CB -0.352 38.160 38.460 0.086 0.000 1.011 278 Y HN 0.358 nan 8.280 nan 0.000 0.545 279 R N 0.273 120.833 120.500 0.100 0.000 2.081 279 R HA -0.235 4.103 4.340 -0.004 0.000 0.235 279 R C 2.403 178.633 176.300 -0.116 0.000 1.131 279 R CA 1.901 57.983 56.100 -0.029 0.000 0.960 279 R CB -0.377 29.883 30.300 -0.067 0.000 0.856 279 R HN 0.517 nan 8.270 nan 0.000 0.436 280 Q N 0.199 119.958 119.800 -0.068 0.000 2.084 280 Q HA -0.202 4.135 4.340 -0.004 0.000 0.202 280 Q C 2.008 177.933 176.000 -0.124 0.000 0.978 280 Q CA 1.977 57.733 55.803 -0.078 0.000 0.844 280 Q CB -0.039 28.680 28.738 -0.032 0.000 0.898 280 Q HN 0.431 nan 8.270 nan 0.000 0.426 281 M N -0.012 119.483 119.600 -0.175 0.000 2.132 281 M HA -0.134 4.344 4.480 -0.004 0.000 0.263 281 M C 2.275 178.405 176.300 -0.285 0.000 1.065 281 M CA 1.761 56.917 55.300 -0.239 0.000 1.122 281 M CB 0.053 32.462 32.600 -0.319 0.000 1.365 281 M HN 0.143 nan 8.290 nan 0.000 0.411 282 S N 0.743 116.215 115.700 -0.380 0.000 2.387 282 S HA -0.014 4.453 4.470 -0.004 0.000 0.226 282 S C 1.904 176.394 174.600 -0.183 0.000 1.026 282 S CA 0.997 59.002 58.200 -0.324 0.000 0.972 282 S CB -0.558 62.414 63.200 -0.380 0.000 0.814 282 S HN 0.384 nan 8.310 nan 0.000 0.477 283 L N 0.985 122.116 121.223 -0.153 0.000 2.093 283 L HA -0.010 4.328 4.340 -0.004 0.000 0.208 283 L C 2.250 179.065 176.870 -0.092 0.000 1.085 283 L CA 0.940 55.716 54.840 -0.107 0.000 0.755 283 L CB -0.564 41.437 42.059 -0.098 0.000 0.904 283 L HN 0.282 nan 8.230 nan 0.000 0.435 284 L N -0.678 120.484 121.223 -0.102 0.000 2.141 284 L HA -0.179 4.159 4.340 -0.004 0.000 0.209 284 L C 2.190 179.010 176.870 -0.084 0.000 1.094 284 L CA 0.903 55.692 54.840 -0.085 0.000 0.763 284 L CB -0.250 41.757 42.059 -0.087 0.000 0.908 284 L HN 0.268 nan 8.230 nan 0.000 0.437 285 L N -0.599 120.562 121.223 -0.104 0.000 2.610 285 L HA 0.024 4.362 4.340 -0.004 0.000 0.232 285 L C 0.816 177.645 176.870 -0.070 0.000 1.149 285 L CA 0.317 55.103 54.840 -0.090 0.000 0.872 285 L CB -0.165 41.826 42.059 -0.114 0.000 0.992 285 L HN 0.238 nan 8.230 nan 0.000 0.447 286 R N -0.662 119.797 120.500 -0.069 0.000 3.774 286 R HA -0.125 4.213 4.340 -0.004 0.000 0.320 286 R C -0.363 175.909 176.300 -0.046 0.000 1.175 286 R CA 0.134 56.203 56.100 -0.052 0.000 0.849 286 R CB -1.566 28.711 30.300 -0.039 0.000 1.365 286 R HN 0.225 nan 8.270 nan 0.000 0.502 287 R N 1.811 122.276 120.500 -0.059 0.000 2.489 287 R HA 0.105 4.443 4.340 -0.004 0.000 0.287 287 R C -1.927 174.355 176.300 -0.030 0.000 1.053 287 R CA -1.525 54.549 56.100 -0.044 0.000 1.036 287 R CB -0.116 30.146 30.300 -0.063 0.000 0.966 287 R HN 0.038 nan 8.270 nan 0.000 0.432 288 P HA 0.040 nan 4.420 nan 0.000 0.260 288 P C -2.259 175.042 177.300 0.001 0.000 1.185 288 P CA -0.864 62.232 63.100 -0.007 0.000 0.763 288 P CB -0.211 31.489 31.700 0.000 0.000 0.776 289 P HA 0.180 nan 4.420 nan 0.000 0.276 289 P C 0.375 177.679 177.300 0.008 0.000 1.230 289 P CA 0.235 63.333 63.100 -0.004 0.000 0.776 289 P CB 1.132 32.814 31.700 -0.030 0.000 0.888 290 G N 2.538 111.359 108.800 0.036 0.000 3.099 290 G HA2 0.301 4.259 3.960 -0.004 0.000 0.151 290 G HA3 0.301 4.259 3.960 -0.004 0.000 0.151 290 G C -0.513 174.374 174.900 -0.022 0.000 1.265 290 G CA -0.843 44.261 45.100 0.006 0.000 0.981 290 G HN 0.528 nan 8.290 nan 0.000 0.601 291 R N 0.802 121.222 120.500 -0.133 0.000 2.486 291 R HA 0.099 4.437 4.340 -0.004 0.000 0.303 291 R C -0.180 176.146 176.300 0.043 0.000 0.958 291 R CA 0.855 56.837 56.100 -0.197 0.000 1.077 291 R CB -0.460 29.468 30.300 -0.619 0.000 0.921 291 R HN 0.654 nan 8.270 nan 0.000 0.406 292 E N 2.898 123.135 120.200 0.061 0.000 2.389 292 E HA -0.310 4.038 4.350 -0.004 0.000 0.243 292 E C 0.339 176.901 176.600 -0.064 0.000 1.154 292 E CA 0.423 56.878 56.400 0.092 0.000 0.723 292 E CB -1.294 28.589 29.700 0.305 0.000 1.261 292 E HN 0.906 nan 8.360 nan 0.000 0.390 293 A N -1.792 120.994 122.820 -0.056 0.000 3.052 293 A HA -0.327 3.991 4.320 -0.004 0.000 0.271 293 A C 0.121 177.630 177.584 -0.125 0.000 1.246 293 A CA 1.956 53.929 52.037 -0.106 0.000 0.966 293 A CB -2.034 16.876 19.000 -0.149 0.000 1.024 293 A HN 0.508 nan 8.150 nan 0.000 0.736 294 Y N 0.410 120.783 120.300 0.122 0.000 2.346 294 Y HA 0.418 4.967 4.550 -0.003 0.000 0.330 294 Y C -1.340 174.663 175.900 0.172 0.000 1.178 294 Y CA -1.355 56.854 58.100 0.183 0.000 1.331 294 Y CB 0.435 39.098 38.460 0.338 0.000 1.253 294 Y HN 0.229 nan 8.280 nan 0.000 0.529 295 P HA 0.022 nan 4.420 nan 0.000 0.274 295 P C 0.729 178.188 177.300 0.265 0.000 1.231 295 P CA 0.019 63.240 63.100 0.202 0.000 0.790 295 P CB 0.999 32.770 31.700 0.119 0.000 0.951 296 G N 2.499 111.419 108.800 0.200 0.000 2.545 296 G HA2 -0.290 3.667 3.960 -0.004 0.000 0.222 296 G HA3 -0.290 3.667 3.960 -0.004 0.000 0.222 296 G C 0.767 175.821 174.900 0.257 0.000 1.126 296 G CA 1.215 46.440 45.100 0.208 0.000 0.754 296 G HN 0.651 nan 8.290 nan 0.000 0.583 297 D N 0.179 120.744 120.400 0.275 0.000 2.319 297 D HA 0.101 4.739 4.640 -0.004 0.000 0.230 297 D C 1.921 178.391 176.300 0.282 0.000 1.094 297 D CA -0.089 54.106 54.000 0.326 0.000 0.856 297 D CB -0.057 40.965 40.800 0.370 0.000 0.915 297 D HN 0.173 nan 8.370 nan 0.000 0.517 298 V N 0.014 120.069 119.914 0.234 0.000 2.469 298 V HA -0.200 3.918 4.120 -0.004 0.000 0.251 298 V C 1.868 177.861 176.094 -0.168 0.000 1.064 298 V CA 1.541 63.855 62.300 0.023 0.000 1.066 298 V CB -0.707 31.092 31.823 -0.040 0.000 0.667 298 V HN 0.270 nan 8.190 nan 0.000 0.461 299 F N -0.158 119.706 119.950 -0.142 0.000 2.113 299 F HA -0.210 4.314 4.527 -0.005 0.000 0.297 299 F C 2.184 177.991 175.800 0.011 0.000 1.103 299 F CA 2.269 60.204 58.000 -0.108 0.000 1.248 299 F CB -0.674 38.310 39.000 -0.027 0.000 0.999 299 F HN 0.327 nan 8.300 nan 0.000 0.475 300 Y N 0.924 121.181 120.300 -0.071 0.000 2.274 300 Y HA -0.194 4.353 4.550 -0.005 0.000 0.290 300 Y C 2.132 177.915 175.900 -0.195 0.000 1.145 300 Y CA 1.517 59.534 58.100 -0.138 0.000 1.203 300 Y CB -0.987 37.509 38.460 0.060 0.000 0.984 300 Y HN 0.265 nan 8.280 nan 0.000 0.533 301 L N -0.365 120.691 121.223 -0.278 0.000 2.043 301 L HA -0.284 4.053 4.340 -0.004 0.000 0.212 301 L C 2.242 178.978 176.870 -0.224 0.000 1.075 301 L CA 2.417 57.038 54.840 -0.366 0.000 0.752 301 L CB -0.644 41.123 42.059 -0.486 0.000 0.891 301 L HN 0.360 nan 8.230 nan 0.000 0.432 302 H N -2.183 116.683 119.070 -0.340 0.000 2.451 302 H HA -0.017 4.537 4.556 -0.003 0.000 0.294 302 H C 2.409 177.504 175.328 -0.388 0.000 1.028 302 H CA 0.691 56.518 56.048 -0.368 0.000 1.349 302 H CB 0.099 29.663 29.762 -0.331 0.000 1.444 302 H HN 0.518 nan 8.280 nan 0.000 0.538 303 S N 2.020 117.471 115.700 -0.414 0.000 2.359 303 S HA -0.289 4.179 4.470 -0.004 0.000 0.222 303 S C 2.184 176.680 174.600 -0.172 0.000 1.038 303 S CA 1.576 59.516 58.200 -0.432 0.000 1.051 303 S CB -0.405 62.285 63.200 -0.849 0.000 0.944 303 S HN 0.546 nan 8.310 nan 0.000 0.433 304 R N 0.975 121.401 120.500 -0.124 0.000 2.105 304 R HA -0.024 4.314 4.340 -0.004 0.000 0.239 304 R C 2.405 178.680 176.300 -0.042 0.000 1.135 304 R CA 1.479 57.551 56.100 -0.046 0.000 0.967 304 R CB -0.957 29.267 30.300 -0.128 0.000 0.861 304 R HN 0.463 nan 8.270 nan 0.000 0.442 305 L N 1.308 122.486 121.223 -0.075 0.000 1.970 305 L HA -0.101 4.237 4.340 -0.004 0.000 0.212 305 L C 2.265 179.060 176.870 -0.125 0.000 1.071 305 L CA 1.726 56.484 54.840 -0.136 0.000 0.751 305 L CB -0.317 41.484 42.059 -0.430 0.000 0.889 305 L HN 0.253 nan 8.230 nan 0.000 0.432 306 L N -0.921 120.220 121.223 -0.137 0.000 2.240 306 L HA -0.076 4.262 4.340 -0.004 0.000 0.211 306 L C 2.524 179.388 176.870 -0.010 0.000 1.106 306 L CA 0.468 55.275 54.840 -0.054 0.000 0.793 306 L CB -0.645 41.371 42.059 -0.071 0.000 0.927 306 L HN 0.301 nan 8.230 nan 0.000 0.446 307 E N 0.701 120.889 120.200 -0.020 0.000 2.187 307 E HA -0.260 4.087 4.350 -0.004 0.000 0.199 307 E C 2.186 178.793 176.600 0.012 0.000 1.004 307 E CA 1.268 57.670 56.400 0.004 0.000 0.813 307 E CB -0.104 29.603 29.700 0.013 0.000 0.736 307 E HN 0.479 nan 8.360 nan 0.000 0.468 308 R N 0.335 120.845 120.500 0.016 0.000 2.237 308 R HA 0.016 4.354 4.340 -0.004 0.000 0.219 308 R C 0.902 177.227 176.300 0.041 0.000 1.080 308 R CA 0.455 56.573 56.100 0.029 0.000 0.995 308 R CB -0.051 30.274 30.300 0.042 0.000 0.875 308 R HN -0.036 nan 8.270 nan 0.000 0.462 309 A N 1.007 123.856 122.820 0.048 0.000 2.401 309 A HA 0.615 4.933 4.320 -0.004 0.000 0.259 309 A C -0.213 177.387 177.584 0.027 0.000 1.103 309 A CA 0.080 52.145 52.037 0.046 0.000 0.789 309 A CB 0.542 19.573 19.000 0.052 0.000 1.035 309 A HN 0.291 nan 8.150 nan 0.000 0.491 310 A N 1.976 124.811 122.820 0.025 0.000 2.597 310 A HA 0.662 4.980 4.320 -0.004 0.000 0.292 310 A C -0.890 176.707 177.584 0.021 0.000 1.057 310 A CA -0.700 51.344 52.037 0.013 0.000 0.674 310 A CB 1.007 20.003 19.000 -0.007 0.000 1.278 310 A HN 1.027 nan 8.150 nan 0.000 0.416 311 K N 1.656 122.067 120.400 0.018 0.000 2.235 311 K HA 0.706 5.023 4.320 -0.004 0.000 0.266 311 K C -0.716 175.894 176.600 0.017 0.000 0.980 311 K CA -0.288 56.019 56.287 0.033 0.000 0.849 311 K CB 0.732 33.255 32.500 0.038 0.000 1.098 311 K HN 0.607 nan 8.250 nan 0.000 0.445 312 M N 3.528 123.142 119.600 0.024 0.000 2.300 312 M HA 0.259 4.737 4.480 -0.004 0.000 0.348 312 M C -0.049 176.294 176.300 0.072 0.000 1.151 312 M CA -1.004 54.314 55.300 0.029 0.000 1.046 312 M CB 0.836 33.458 32.600 0.037 0.000 1.647 312 M HN 0.785 nan 8.290 nan 0.000 0.451 313 N N 1.226 119.987 118.700 0.103 0.000 2.288 313 N HA 0.011 4.749 4.740 -0.004 0.000 0.237 313 N C 0.151 175.737 175.510 0.127 0.000 1.311 313 N CA -0.094 53.026 53.050 0.117 0.000 0.909 313 N CB 0.464 39.031 38.487 0.133 0.000 1.167 313 N HN 0.440 nan 8.380 nan 0.000 0.476 314 D N -0.764 119.686 120.400 0.083 0.000 2.263 314 D HA -0.081 4.557 4.640 -0.004 0.000 0.208 314 D C 1.410 177.724 176.300 0.024 0.000 0.971 314 D CA 1.300 55.330 54.000 0.049 0.000 0.867 314 D CB -0.381 40.436 40.800 0.029 0.000 0.929 314 D HN 0.720 nan 8.370 nan 0.000 0.492 315 A N -0.661 122.176 122.820 0.028 0.000 2.167 315 A HA -0.028 4.290 4.320 -0.004 0.000 0.214 315 A C 1.112 178.508 177.584 -0.312 0.000 1.151 315 A CA 0.408 52.369 52.037 -0.127 0.000 0.735 315 A CB -0.342 18.567 19.000 -0.153 0.000 0.802 315 A HN 0.129 nan 8.150 nan 0.000 0.467 316 F N -1.395 118.543 119.950 -0.019 0.000 2.735 316 F HA 0.429 4.954 4.527 -0.003 0.000 0.304 316 F C 1.599 177.373 175.800 -0.043 0.000 1.119 316 F CA 0.521 58.504 58.000 -0.028 0.000 1.280 316 F CB 0.849 39.835 39.000 -0.023 0.000 0.994 316 F HN 0.300 nan 8.300 nan 0.000 0.520 317 G N -0.348 108.487 108.800 0.058 0.000 2.313 317 G HA2 -0.093 3.865 3.960 -0.004 0.000 0.215 317 G HA3 -0.093 3.865 3.960 -0.004 0.000 0.215 317 G C 1.289 176.190 174.900 0.001 0.000 1.023 317 G CA -0.111 44.993 45.100 0.006 0.000 0.626 317 G HN 1.059 nan 8.290 nan 0.000 0.503 318 G N -0.174 108.645 108.800 0.032 0.000 2.179 318 G HA2 0.186 4.144 3.960 -0.004 0.000 0.260 318 G HA3 0.186 4.144 3.960 -0.004 0.000 0.260 318 G C 1.608 176.487 174.900 -0.036 0.000 0.977 318 G CA 1.090 46.210 45.100 0.033 0.000 0.641 318 G HN 2.152 nan 8.290 nan 0.000 0.533 319 G N -0.326 108.397 108.800 -0.128 0.000 2.683 319 G HA2 0.663 4.620 3.960 -0.004 0.000 0.260 319 G HA3 0.663 4.620 3.960 -0.004 0.000 0.260 319 G C 0.342 175.149 174.900 -0.154 0.000 1.238 319 G CA 1.164 46.080 45.100 -0.306 0.000 0.934 319 G HN 1.949 nan 8.290 nan 0.000 0.534 320 S N -1.664 113.960 115.700 -0.126 0.000 2.565 320 S HA 0.493 4.961 4.470 -0.004 0.000 0.274 320 S C -1.565 173.080 174.600 0.075 0.000 1.144 320 S CA -0.838 57.393 58.200 0.053 0.000 0.849 320 S CB 1.701 65.020 63.200 0.197 0.000 1.103 320 S HN 1.153 nan 8.310 nan 0.000 0.455 321 L N 1.825 123.087 121.223 0.065 0.000 2.349 321 L HA 0.741 5.079 4.340 -0.004 0.000 0.278 321 L C -0.602 176.293 176.870 0.041 0.000 0.996 321 L CA 0.214 55.091 54.840 0.062 0.000 0.825 321 L CB 1.797 43.896 42.059 0.067 0.000 1.243 321 L HN 0.921 nan 8.230 nan 0.000 0.412 322 T N 4.480 119.048 114.554 0.023 0.000 2.799 322 T HA 0.771 5.118 4.350 -0.004 0.000 0.286 322 T C -0.222 174.457 174.700 -0.034 0.000 0.973 322 T CA -0.210 61.890 62.100 -0.001 0.000 1.035 322 T CB 1.231 70.092 68.868 -0.012 0.000 0.932 322 T HN 0.785 nan 8.240 nan 0.000 0.469 323 A N 3.916 126.722 122.820 -0.024 0.000 2.291 323 A HA 0.655 4.972 4.320 -0.004 0.000 0.311 323 A C -0.322 177.234 177.584 -0.047 0.000 1.224 323 A CA -0.680 51.322 52.037 -0.058 0.000 0.821 323 A CB 0.344 19.386 19.000 0.071 0.000 1.172 323 A HN 0.877 nan 8.150 nan 0.000 0.494 324 L N 5.435 126.593 121.223 -0.110 0.000 2.353 324 L HA 0.325 4.663 4.340 -0.004 0.000 0.269 324 L C -2.120 174.712 176.870 -0.063 0.000 1.085 324 L CA -1.727 53.075 54.840 -0.064 0.000 0.938 324 L CB 1.181 43.206 42.059 -0.057 0.000 1.312 324 L HN 0.505 nan 8.230 nan 0.000 0.429 325 P HA 0.207 nan 4.420 nan 0.000 0.277 325 P C -0.675 176.618 177.300 -0.012 0.000 1.240 325 P CA -0.277 62.851 63.100 0.047 0.000 0.798 325 P CB 2.120 33.837 31.700 0.029 0.000 0.979 326 V N 3.558 123.455 119.914 -0.028 0.000 2.513 326 V HA 0.457 4.574 4.120 -0.004 0.000 0.299 326 V C 0.364 176.441 176.094 -0.029 0.000 1.035 326 V CA -0.616 61.671 62.300 -0.022 0.000 0.889 326 V CB 1.725 33.536 31.823 -0.019 0.000 0.988 326 V HN 0.433 nan 8.190 nan 0.000 0.440 327 I N 3.183 123.751 120.570 -0.003 0.000 2.582 327 I HA 0.448 4.616 4.170 -0.004 0.000 0.292 327 I C -0.252 175.887 176.117 0.036 0.000 1.066 327 I CA -0.332 60.974 61.300 0.010 0.000 1.053 327 I CB 2.289 40.298 38.000 0.014 0.000 1.241 327 I HN 0.788 nan 8.210 nan 0.000 0.421 328 E N 5.172 125.397 120.200 0.042 0.000 2.092 328 E HA 0.345 4.693 4.350 -0.004 0.000 0.271 328 E C -0.576 176.065 176.600 0.068 0.000 0.919 328 E CA -0.423 56.005 56.400 0.047 0.000 0.760 328 E CB 1.161 30.885 29.700 0.039 0.000 1.106 328 E HN 0.687 nan 8.360 nan 0.000 0.408 329 T N 2.137 116.742 114.554 0.084 0.000 2.904 329 T HA 0.221 4.569 4.350 -0.004 0.000 0.290 329 T C 0.169 174.920 174.700 0.085 0.000 1.018 329 T CA -0.905 61.258 62.100 0.105 0.000 1.075 329 T CB 1.344 70.314 68.868 0.169 0.000 0.986 329 T HN 0.337 nan 8.240 nan 0.000 0.523 330 Q N 0.995 120.847 119.800 0.086 0.000 2.398 330 Q HA 0.509 4.846 4.340 -0.004 0.000 0.251 330 Q C 0.498 176.542 176.000 0.073 0.000 0.999 330 Q CA 0.057 55.904 55.803 0.072 0.000 0.874 330 Q CB 0.757 29.538 28.738 0.073 0.000 1.215 330 Q HN 1.189 nan 8.270 nan 0.000 0.470 331 A N 2.446 125.305 122.820 0.066 0.000 2.739 331 A HA -0.114 4.204 4.320 -0.004 0.000 0.296 331 A C 1.061 178.702 177.584 0.095 0.000 1.488 331 A CA 1.061 53.138 52.037 0.066 0.000 0.746 331 A CB -2.147 16.883 19.000 0.051 0.000 1.047 331 A HN 1.459 nan 8.150 nan 0.000 0.477 332 G N -0.829 108.057 108.800 0.144 0.000 2.258 332 G HA2 -0.167 3.791 3.960 -0.004 0.000 0.274 332 G HA3 -0.167 3.791 3.960 -0.004 0.000 0.274 332 G C -0.093 174.896 174.900 0.149 0.000 1.021 332 G CA 1.239 46.487 45.100 0.247 0.000 0.798 332 G HN 1.953 nan 8.290 nan 0.000 0.507 333 D N -0.033 120.428 120.400 0.102 0.000 2.479 333 D HA 0.423 5.061 4.640 -0.004 0.000 0.218 333 D C 1.657 177.977 176.300 0.033 0.000 1.131 333 D CA 0.083 54.112 54.000 0.050 0.000 0.916 333 D CB 0.707 41.541 40.800 0.055 0.000 1.022 333 D HN 0.491 nan 8.370 nan 0.000 0.515 334 V N 1.113 121.005 119.914 -0.036 0.000 3.380 334 V HA 0.032 4.149 4.120 -0.004 0.000 0.268 334 V C 1.510 177.593 176.094 -0.018 0.000 1.168 334 V CA 0.732 62.998 62.300 -0.058 0.000 1.156 334 V CB -0.166 31.538 31.823 -0.198 0.000 0.785 334 V HN 0.329 nan 8.190 nan 0.000 0.487 335 S N 0.479 116.178 115.700 -0.001 0.000 2.558 335 S HA 0.535 5.002 4.470 -0.004 0.000 0.217 335 S C 1.256 175.890 174.600 0.056 0.000 0.975 335 S CA 0.393 58.605 58.200 0.019 0.000 0.912 335 S CB -0.145 63.061 63.200 0.009 0.000 0.776 335 S HN 0.894 nan 8.310 nan 0.000 0.526 336 A N 0.261 123.124 122.820 0.072 0.000 2.346 336 A HA 0.374 4.691 4.320 -0.004 0.000 0.252 336 A C 0.787 178.469 177.584 0.164 0.000 1.089 336 A CA -0.250 51.856 52.037 0.116 0.000 0.797 336 A CB -0.175 18.894 19.000 0.116 0.000 1.047 336 A HN 0.488 nan 8.150 nan 0.000 0.494 337 Y N 0.400 120.722 120.300 0.037 0.000 2.053 337 Y HA -0.269 4.278 4.550 -0.005 0.000 0.277 337 Y C 1.834 177.723 175.900 -0.018 0.000 1.159 337 Y CA 2.076 60.185 58.100 0.016 0.000 1.125 337 Y CB -0.020 38.461 38.460 0.036 0.000 0.969 337 Y HN 0.532 nan 8.280 nan 0.000 0.492 338 I N 0.236 120.733 120.570 -0.122 0.000 2.233 338 I HA -0.142 4.026 4.170 -0.004 0.000 0.243 338 I C -0.634 175.444 176.117 -0.066 0.000 1.093 338 I CA 0.978 62.128 61.300 -0.250 0.000 1.380 338 I CB -2.867 34.961 38.000 -0.286 0.000 1.067 338 I HN 0.200 nan 8.210 nan 0.000 0.413 339 P HA -0.170 nan 4.420 nan 0.000 0.215 339 P C 1.819 179.138 177.300 0.032 0.000 1.163 339 P CA 2.530 65.648 63.100 0.030 0.000 0.894 339 P CB -0.336 31.392 31.700 0.047 0.000 0.791 340 T N -3.904 110.674 114.554 0.040 0.000 2.904 340 T HA -0.074 4.274 4.350 -0.004 0.000 0.267 340 T C 1.715 176.456 174.700 0.070 0.000 1.059 340 T CA 0.959 63.090 62.100 0.051 0.000 1.137 340 T CB -1.048 67.858 68.868 0.064 0.000 0.879 340 T HN -0.031 nan 8.240 nan 0.000 0.467 341 N N 1.646 120.379 118.700 0.054 0.000 2.018 341 N HA -0.092 4.646 4.740 -0.004 0.000 0.196 341 N C 2.005 177.627 175.510 0.187 0.000 1.043 341 N CA 1.505 54.644 53.050 0.148 0.000 0.856 341 N CB -0.877 37.627 38.487 0.028 0.000 1.042 341 N HN 0.334 nan 8.380 nan 0.000 0.423 342 V N 1.617 121.592 119.914 0.100 0.000 2.427 342 V HA -0.133 3.985 4.120 -0.004 0.000 0.248 342 V C 2.264 178.393 176.094 0.057 0.000 1.051 342 V CA 1.041 63.378 62.300 0.063 0.000 1.048 342 V CB -0.451 31.377 31.823 0.008 0.000 0.666 342 V HN 0.232 nan 8.190 nan 0.000 0.456 343 I N 1.385 121.990 120.570 0.057 0.000 2.335 343 I HA -0.215 3.953 4.170 -0.004 0.000 0.251 343 I C 2.441 178.600 176.117 0.070 0.000 1.129 343 I CA 1.825 63.156 61.300 0.051 0.000 1.402 343 I CB -0.410 37.611 38.000 0.035 0.000 1.069 343 I HN 0.472 nan 8.210 nan 0.000 0.424 344 S N -0.092 115.672 115.700 0.106 0.000 2.607 344 S HA 0.098 4.566 4.470 -0.004 0.000 0.224 344 S C 1.480 176.199 174.600 0.197 0.000 0.969 344 S CA 0.415 58.700 58.200 0.140 0.000 0.927 344 S CB -0.309 62.980 63.200 0.149 0.000 0.772 344 S HN 0.462 nan 8.310 nan 0.000 0.533 345 I N 0.919 121.576 120.570 0.145 0.000 3.673 345 I HA 0.104 4.271 4.170 -0.004 0.000 0.281 345 I C 1.458 177.607 176.117 0.054 0.000 1.182 345 I CA 0.569 61.929 61.300 0.100 0.000 1.391 345 I CB 0.028 38.037 38.000 0.014 0.000 1.383 345 I HN 0.350 nan 8.210 nan 0.000 0.456 346 T N -1.717 112.861 114.554 0.040 0.000 2.770 346 T HA 0.144 4.492 4.350 -0.004 0.000 0.281 346 T C 0.104 174.825 174.700 0.034 0.000 0.981 346 T CA -0.435 61.682 62.100 0.029 0.000 0.955 346 T CB 0.755 69.636 68.868 0.022 0.000 1.060 346 T HN -0.004 nan 8.240 nan 0.000 0.531 347 D N 0.778 121.196 120.400 0.029 0.000 3.179 347 D HA 0.460 5.097 4.640 -0.004 0.000 0.267 347 D C 0.925 177.242 176.300 0.028 0.000 1.348 347 D CA 0.334 54.351 54.000 0.028 0.000 0.897 347 D CB -0.328 40.487 40.800 0.024 0.000 1.062 347 D HN 1.058 nan 8.370 nan 0.000 0.494 348 G N 1.010 109.829 108.800 0.032 0.000 2.462 348 G HA2 0.010 3.968 3.960 -0.004 0.000 0.685 348 G HA3 0.010 3.968 3.960 -0.004 0.000 0.685 348 G C -1.388 173.537 174.900 0.041 0.000 1.295 348 G CA -1.088 44.033 45.100 0.035 0.000 0.941 348 G HN 0.170 nan 8.290 nan 0.000 0.554 349 Q N -1.173 118.659 119.800 0.053 0.000 2.340 349 Q HA 0.685 5.022 4.340 -0.004 0.000 0.276 349 Q C -0.423 175.633 176.000 0.094 0.000 1.048 349 Q CA -0.608 55.239 55.803 0.072 0.000 0.832 349 Q CB 2.228 31.017 28.738 0.085 0.000 1.373 349 Q HN 0.725 nan 8.270 nan 0.000 0.409 350 I N 2.287 122.914 120.570 0.095 0.000 2.312 350 I HA 0.327 4.495 4.170 -0.004 0.000 0.291 350 I C -0.795 175.422 176.117 0.166 0.000 1.031 350 I CA -0.567 60.797 61.300 0.107 0.000 1.293 350 I CB 0.364 38.403 38.000 0.065 0.000 1.403 350 I HN 0.507 nan 8.210 nan 0.000 0.484 351 F N 8.155 128.124 119.950 0.031 0.000 2.415 351 F HA 0.572 5.096 4.527 -0.004 0.000 0.348 351 F C -0.918 174.907 175.800 0.042 0.000 1.119 351 F CA -0.746 57.273 58.000 0.032 0.000 1.069 351 F CB 0.791 39.809 39.000 0.032 0.000 1.124 351 F HN 0.199 nan 8.300 nan 0.000 0.472 352 L N 6.212 127.006 121.223 -0.714 0.000 2.298 352 L HA 0.407 4.745 4.340 -0.004 0.000 0.284 352 L C -0.282 176.067 176.870 -0.869 0.000 1.013 352 L CA -0.587 53.911 54.840 -0.570 0.000 0.824 352 L CB 1.513 43.423 42.059 -0.248 0.000 1.221 352 L HN 0.577 nan 8.230 nan 0.000 0.418 353 E N 1.334 121.193 120.200 -0.569 0.000 2.227 353 E HA 0.149 4.497 4.350 -0.004 0.000 0.282 353 E C 0.331 176.885 176.600 -0.077 0.000 1.015 353 E CA -0.278 55.922 56.400 -0.333 0.000 0.823 353 E CB 2.032 31.681 29.700 -0.085 0.000 1.081 353 E HN 0.538 nan 8.360 nan 0.000 0.396 354 T N 2.533 117.067 114.554 -0.033 0.000 2.746 354 T HA -0.194 4.154 4.350 -0.004 0.000 0.267 354 T C 1.542 176.340 174.700 0.163 0.000 1.039 354 T CA 1.313 63.448 62.100 0.058 0.000 1.142 354 T CB 0.020 68.905 68.868 0.029 0.000 0.866 354 T HN 0.522 nan 8.240 nan 0.000 0.444 355 E N 0.292 120.556 120.200 0.107 0.000 2.077 355 E HA -0.100 4.248 4.350 -0.004 0.000 0.193 355 E C 2.151 178.851 176.600 0.167 0.000 0.989 355 E CA 0.856 57.325 56.400 0.116 0.000 0.800 355 E CB -0.140 29.599 29.700 0.066 0.000 0.746 355 E HN 0.443 nan 8.360 nan 0.000 0.452 356 L N -0.153 121.152 121.223 0.136 0.000 2.056 356 L HA -0.142 4.195 4.340 -0.004 0.000 0.207 356 L C 2.422 179.379 176.870 0.144 0.000 1.078 356 L CA 0.947 55.859 54.840 0.121 0.000 0.749 356 L CB -0.425 41.684 42.059 0.084 0.000 0.901 356 L HN 0.204 nan 8.230 nan 0.000 0.433 357 F N -0.505 119.468 119.950 0.038 0.000 2.134 357 F HA -0.304 4.221 4.527 -0.003 0.000 0.299 357 F C 2.535 178.374 175.800 0.064 0.000 1.097 357 F CA 1.442 59.460 58.000 0.031 0.000 1.264 357 F CB -0.302 38.707 39.000 0.015 0.000 1.001 357 F HN -0.032 nan 8.300 nan 0.000 0.479 358 Y N 1.519 121.936 120.300 0.195 0.000 2.070 358 Y HA -0.250 4.298 4.550 -0.004 0.000 0.280 358 Y C 2.149 178.044 175.900 -0.007 0.000 1.148 358 Y CA 2.149 60.314 58.100 0.108 0.000 1.125 358 Y CB -0.544 37.980 38.460 0.107 0.000 0.975 358 Y HN -0.071 nan 8.280 nan 0.000 0.492 359 K N 0.005 120.519 120.400 0.189 0.000 2.585 359 K HA -0.010 4.308 4.320 -0.004 0.000 0.194 359 K C 1.310 177.874 176.600 -0.060 0.000 1.037 359 K CA 0.722 57.053 56.287 0.073 0.000 0.964 359 K CB -0.670 31.897 32.500 0.112 0.000 0.787 359 K HN 0.678 nan 8.250 nan 0.000 0.488 360 G N 1.716 110.417 108.800 -0.166 0.000 2.184 360 G HA2 -0.286 3.672 3.960 -0.004 0.000 0.264 360 G HA3 -0.286 3.672 3.960 -0.004 0.000 0.264 360 G C 0.232 175.018 174.900 -0.189 0.000 0.975 360 G CA -0.162 44.792 45.100 -0.243 0.000 0.642 360 G HN 0.333 nan 8.290 nan 0.000 0.536 361 I N 1.287 121.792 120.570 -0.109 0.000 2.578 361 I HA 0.286 4.454 4.170 -0.004 0.000 0.286 361 I C 0.853 176.922 176.117 -0.079 0.000 1.126 361 I CA 0.474 61.740 61.300 -0.057 0.000 1.380 361 I CB 0.251 38.255 38.000 0.006 0.000 1.408 361 I HN 0.114 nan 8.210 nan 0.000 0.532 362 R N 7.616 128.067 120.500 -0.082 0.000 2.548 362 R HA 0.378 4.715 4.340 -0.004 0.000 0.280 362 R C -2.673 173.605 176.300 -0.037 0.000 1.061 362 R CA -1.719 54.335 56.100 -0.076 0.000 0.915 362 R CB 2.103 32.298 30.300 -0.174 0.000 1.210 362 R HN 0.286 nan 8.270 nan 0.000 0.442 363 P HA 0.002 nan 4.420 nan 0.000 0.268 363 P C -0.433 176.892 177.300 0.041 0.000 1.204 363 P CA -0.095 63.022 63.100 0.027 0.000 0.768 363 P CB 0.930 32.645 31.700 0.025 0.000 0.842 364 A N 5.093 127.966 122.820 0.088 0.000 3.051 364 A HA 0.181 4.499 4.320 -0.004 0.000 0.257 364 A C 0.627 178.222 177.584 0.018 0.000 1.785 364 A CA -0.295 51.789 52.037 0.079 0.000 1.420 364 A CB -1.503 17.608 19.000 0.185 0.000 1.063 364 A HN 0.494 nan 8.150 nan 0.000 0.630 365 I N 1.596 122.182 120.570 0.027 0.000 2.312 365 I HA 0.056 4.224 4.170 -0.004 0.000 0.291 365 I C 0.536 176.689 176.117 0.060 0.000 1.031 365 I CA -0.367 60.950 61.300 0.029 0.000 1.293 365 I CB 0.738 38.765 38.000 0.046 0.000 1.403 365 I HN 0.435 nan 8.210 nan 0.000 0.484 366 N N 6.088 124.839 118.700 0.085 0.000 2.405 366 N HA 0.045 4.783 4.740 -0.004 0.000 0.260 366 N C 0.836 176.443 175.510 0.163 0.000 1.152 366 N CA 0.014 53.167 53.050 0.171 0.000 0.948 366 N CB 1.408 40.111 38.487 0.360 0.000 1.111 366 N HN 0.400 nan 8.380 nan 0.000 0.485 367 V N 4.150 124.136 119.914 0.120 0.000 2.307 367 V HA -0.131 3.987 4.120 -0.004 0.000 0.245 367 V C 2.437 178.587 176.094 0.094 0.000 1.045 367 V CA 2.085 64.445 62.300 0.099 0.000 1.024 367 V CB -0.967 30.908 31.823 0.086 0.000 0.651 367 V HN 0.780 nan 8.190 nan 0.000 0.449 368 G N 0.444 109.298 108.800 0.090 0.000 2.513 368 G HA2 -0.252 3.706 3.960 -0.004 0.000 0.219 368 G HA3 -0.252 3.706 3.960 -0.004 0.000 0.219 368 G C 1.428 176.364 174.900 0.060 0.000 1.160 368 G CA 1.269 46.409 45.100 0.066 0.000 0.767 368 G HN 0.531 nan 8.290 nan 0.000 0.571 369 L N 0.791 122.066 121.223 0.086 0.000 2.592 369 L HA 0.240 4.577 4.340 -0.004 0.000 0.227 369 L C 0.588 177.504 176.870 0.077 0.000 1.127 369 L CA -0.236 54.631 54.840 0.045 0.000 0.884 369 L CB 0.260 42.303 42.059 -0.026 0.000 1.065 369 L HN -0.019 nan 8.230 nan 0.000 0.457 370 S N 0.572 116.338 115.700 0.111 0.000 2.508 370 S HA 0.625 5.093 4.470 -0.004 0.000 0.284 370 S C -0.157 174.483 174.600 0.068 0.000 1.192 370 S CA -0.586 57.678 58.200 0.107 0.000 1.070 370 S CB 1.962 65.233 63.200 0.118 0.000 1.004 370 S HN 0.051 nan 8.310 nan 0.000 0.493 371 V N 0.292 120.240 119.914 0.057 0.000 3.049 371 V HA 0.827 4.945 4.120 -0.004 0.000 0.309 371 V C -0.382 175.735 176.094 0.039 0.000 1.148 371 V CA -0.921 61.404 62.300 0.042 0.000 0.990 371 V CB 1.892 33.735 31.823 0.032 0.000 1.039 371 V HN 0.694 nan 8.190 nan 0.000 0.430 372 S N 1.311 117.030 115.700 0.033 0.000 2.594 372 S HA 0.446 4.913 4.470 -0.004 0.000 0.322 372 S C 0.802 175.416 174.600 0.023 0.000 1.085 372 S CA -0.759 57.457 58.200 0.027 0.000 1.116 372 S CB 0.982 64.197 63.200 0.024 0.000 0.979 372 S HN 0.782 nan 8.310 nan 0.000 0.465 373 R N 2.639 123.153 120.500 0.023 0.000 2.237 373 R HA -0.001 4.337 4.340 -0.004 0.000 0.219 373 R C 1.253 177.564 176.300 0.018 0.000 1.080 373 R CA 1.465 57.577 56.100 0.021 0.000 0.995 373 R CB -0.245 30.068 30.300 0.022 0.000 0.875 373 R HN 0.631 nan 8.270 nan 0.000 0.462 374 V N -6.048 113.876 119.914 0.016 0.000 3.432 374 V HA 0.377 4.495 4.120 -0.004 0.000 0.290 374 V C 1.300 177.400 176.094 0.010 0.000 1.591 374 V CA 0.352 62.660 62.300 0.013 0.000 1.069 374 V CB 0.662 32.493 31.823 0.014 0.000 0.892 374 V HN 0.111 nan 8.190 nan 0.000 0.436 375 G N 0.946 109.753 108.800 0.011 0.000 2.494 375 G HA2 -0.137 3.821 3.960 -0.004 0.000 0.216 375 G HA3 -0.137 3.821 3.960 -0.004 0.000 0.216 375 G C 1.575 176.478 174.900 0.006 0.000 1.140 375 G CA 1.228 46.332 45.100 0.007 0.000 0.801 375 G HN 0.640 nan 8.290 nan 0.000 0.536 376 S N 1.371 117.077 115.700 0.010 0.000 2.392 376 S HA -0.135 4.333 4.470 -0.004 0.000 0.232 376 S C 2.644 177.248 174.600 0.006 0.000 1.041 376 S CA 1.963 60.170 58.200 0.010 0.000 1.026 376 S CB -0.467 62.740 63.200 0.013 0.000 0.845 376 S HN 0.572 nan 8.310 nan 0.000 0.465 377 A N 0.759 123.582 122.820 0.005 0.000 2.019 377 A HA 0.391 4.708 4.320 -0.004 0.000 0.219 377 A C 1.983 179.565 177.584 -0.004 0.000 1.164 377 A CA 1.491 53.529 52.037 0.002 0.000 0.644 377 A CB -0.851 18.151 19.000 0.004 0.000 0.805 377 A HN 1.036 nan 8.150 nan 0.000 0.449 378 A N -0.858 121.957 122.820 -0.008 0.000 2.708 378 A HA 0.434 4.752 4.320 -0.004 0.000 0.293 378 A C 0.366 177.938 177.584 -0.020 0.000 1.303 378 A CA -0.201 51.824 52.037 -0.020 0.000 0.949 378 A CB -0.270 18.712 19.000 -0.029 0.000 1.121 378 A HN 0.530 nan 8.150 nan 0.000 0.542 379 Q N 1.344 121.139 119.800 -0.009 0.000 2.293 379 Q HA 0.411 4.749 4.340 -0.004 0.000 0.261 379 Q C 0.083 176.082 176.000 -0.001 0.000 0.960 379 Q CA -0.467 55.335 55.803 -0.003 0.000 0.882 379 Q CB 1.125 29.867 28.738 0.007 0.000 1.275 379 Q HN 0.494 nan 8.270 nan 0.000 0.445 380 T N 1.026 115.580 114.554 -0.000 0.000 2.939 380 T HA -0.032 4.316 4.350 -0.004 0.000 0.319 380 T C 0.962 175.668 174.700 0.011 0.000 1.082 380 T CA -0.250 61.852 62.100 0.003 0.000 1.133 380 T CB 0.881 69.754 68.868 0.007 0.000 1.019 380 T HN 0.818 nan 8.240 nan 0.000 0.548 381 R N 2.580 123.086 120.500 0.011 0.000 2.091 381 R HA -0.063 4.275 4.340 -0.004 0.000 0.238 381 R C 2.543 178.858 176.300 0.025 0.000 1.136 381 R CA 2.114 58.224 56.100 0.016 0.000 0.959 381 R CB -1.341 28.968 30.300 0.014 0.000 0.856 381 R HN 0.885 nan 8.270 nan 0.000 0.437 382 A N 0.158 122.993 122.820 0.024 0.000 1.908 382 A HA -0.196 4.122 4.320 -0.004 0.000 0.218 382 A C 2.160 179.769 177.584 0.043 0.000 1.181 382 A CA 1.942 53.998 52.037 0.032 0.000 0.627 382 A CB -0.596 18.417 19.000 0.022 0.000 0.818 382 A HN 0.493 nan 8.150 nan 0.000 0.445 383 M N -0.348 119.273 119.600 0.036 0.000 2.156 383 M HA 0.006 4.483 4.480 -0.004 0.000 0.264 383 M C 1.810 178.135 176.300 0.040 0.000 1.067 383 M CA 1.865 57.189 55.300 0.040 0.000 1.131 383 M CB -0.452 32.167 32.600 0.032 0.000 1.368 383 M HN 0.318 nan 8.290 nan 0.000 0.416 384 K N -0.412 120.007 120.400 0.032 0.000 2.160 384 K HA -0.213 4.104 4.320 -0.004 0.000 0.206 384 K C 2.064 178.684 176.600 0.034 0.000 1.047 384 K CA 1.824 58.129 56.287 0.029 0.000 0.930 384 K CB -0.139 32.375 32.500 0.022 0.000 0.720 384 K HN 0.567 nan 8.250 nan 0.000 0.450 385 Q N -0.326 119.500 119.800 0.043 0.000 2.167 385 Q HA -0.112 4.226 4.340 -0.004 0.000 0.202 385 Q C 1.980 178.014 176.000 0.056 0.000 0.970 385 Q CA 1.462 57.295 55.803 0.050 0.000 0.855 385 Q CB 0.267 29.044 28.738 0.064 0.000 0.911 385 Q HN 0.309 nan 8.270 nan 0.000 0.438 386 V N -4.374 115.580 119.914 0.066 0.000 3.307 386 V HA 0.292 4.410 4.120 -0.004 0.000 0.253 386 V C 1.760 177.877 176.094 0.039 0.000 1.149 386 V CA 0.839 63.175 62.300 0.062 0.000 1.112 386 V CB -0.057 31.831 31.823 0.108 0.000 0.777 386 V HN 0.169 nan 8.190 nan 0.000 0.464 387 A N 1.677 124.520 122.820 0.038 0.000 1.878 387 A HA 0.247 4.564 4.320 -0.004 0.000 0.213 387 A C 2.309 179.908 177.584 0.024 0.000 1.192 387 A CA 1.457 53.513 52.037 0.031 0.000 0.619 387 A CB -1.353 17.666 19.000 0.032 0.000 0.837 387 A HN 0.640 nan 8.150 nan 0.000 0.446 388 G N -0.021 108.792 108.800 0.022 0.000 2.440 388 G HA2 -0.254 3.704 3.960 -0.004 0.000 0.218 388 G HA3 -0.254 3.704 3.960 -0.004 0.000 0.218 388 G C 1.692 176.600 174.900 0.013 0.000 1.154 388 G CA 2.115 47.226 45.100 0.018 0.000 0.767 388 G HN 0.649 nan 8.290 nan 0.000 0.552 389 T N -1.669 112.890 114.554 0.008 0.000 2.985 389 T HA 0.087 4.434 4.350 -0.004 0.000 0.266 389 T C 2.275 176.974 174.700 -0.003 0.000 1.076 389 T CA 1.167 63.266 62.100 -0.002 0.000 1.135 389 T CB -0.073 68.786 68.868 -0.015 0.000 0.890 389 T HN 0.240 nan 8.240 nan 0.000 0.480 390 M N 1.062 120.664 119.600 0.003 0.000 2.123 390 M HA 0.030 4.508 4.480 -0.004 0.000 0.263 390 M C 2.550 178.859 176.300 0.016 0.000 1.069 390 M CA 1.563 56.866 55.300 0.004 0.000 1.133 390 M CB -0.216 32.390 32.600 0.010 0.000 1.356 390 M HN 0.186 nan 8.290 nan 0.000 0.415 391 K N 0.454 120.867 120.400 0.022 0.000 2.059 391 K HA -0.263 4.055 4.320 -0.004 0.000 0.212 391 K C 1.899 178.518 176.600 0.032 0.000 1.050 391 K CA 1.993 58.298 56.287 0.030 0.000 0.927 391 K CB -0.512 32.005 32.500 0.028 0.000 0.714 391 K HN 0.377 nan 8.250 nan 0.000 0.447 392 L N 1.681 122.917 121.223 0.023 0.000 2.017 392 L HA -0.148 4.190 4.340 -0.004 0.000 0.208 392 L C 2.010 178.897 176.870 0.028 0.000 1.073 392 L CA 1.869 56.723 54.840 0.022 0.000 0.745 392 L CB -0.302 41.765 42.059 0.013 0.000 0.894 392 L HN 0.241 nan 8.230 nan 0.000 0.432 393 E N -0.798 119.413 120.200 0.020 0.000 2.204 393 E HA -0.180 4.168 4.350 -0.004 0.000 0.194 393 E C 2.232 178.867 176.600 0.059 0.000 0.989 393 E CA 0.998 57.411 56.400 0.022 0.000 0.824 393 E CB -0.111 29.582 29.700 -0.012 0.000 0.756 393 E HN 0.474 nan 8.360 nan 0.000 0.477 394 L N -0.016 121.244 121.223 0.062 0.000 2.240 394 L HA -0.046 4.292 4.340 -0.004 0.000 0.211 394 L C 2.250 179.204 176.870 0.140 0.000 1.106 394 L CA 0.566 55.479 54.840 0.122 0.000 0.793 394 L CB -0.063 42.049 42.059 0.088 0.000 0.927 394 L HN 0.129 nan 8.230 nan 0.000 0.446 395 A N -0.725 122.147 122.820 0.086 0.000 1.930 395 A HA -0.216 4.101 4.320 -0.004 0.000 0.217 395 A C 2.152 179.774 177.584 0.062 0.000 1.175 395 A CA 1.270 53.346 52.037 0.065 0.000 0.627 395 A CB -0.290 18.736 19.000 0.043 0.000 0.815 395 A HN 0.475 nan 8.150 nan 0.000 0.443 396 Q N -2.081 117.763 119.800 0.074 0.000 2.123 396 Q HA -0.155 4.183 4.340 -0.004 0.000 0.199 396 Q C 1.952 178.008 176.000 0.094 0.000 0.966 396 Q CA 1.651 57.495 55.803 0.067 0.000 0.845 396 Q CB -0.309 28.465 28.738 0.060 0.000 0.907 396 Q HN 0.870 nan 8.270 nan 0.000 0.439 397 Y N 0.988 121.289 120.300 0.002 0.000 2.286 397 Y HA -0.052 4.495 4.550 -0.004 0.000 0.293 397 Y C 2.100 178.005 175.900 0.008 0.000 1.124 397 Y CA 1.089 59.190 58.100 0.003 0.000 1.178 397 Y CB 0.079 38.540 38.460 0.002 0.000 1.010 397 Y HN -0.159 nan 8.280 nan 0.000 0.536 398 R N 0.386 120.811 120.500 -0.125 0.000 2.120 398 R HA -0.141 4.196 4.340 -0.004 0.000 0.234 398 R C 1.970 178.181 176.300 -0.147 0.000 1.123 398 R CA 1.543 57.534 56.100 -0.183 0.000 0.975 398 R CB -0.097 30.182 30.300 -0.035 0.000 0.866 398 R HN 0.420 nan 8.270 nan 0.000 0.446 399 E N -0.039 120.113 120.200 -0.080 0.000 2.338 399 E HA -0.100 4.248 4.350 -0.004 0.000 0.197 399 E C 0.774 177.331 176.600 -0.072 0.000 1.007 399 E CA 1.139 57.506 56.400 -0.055 0.000 0.849 399 E CB 0.386 30.073 29.700 -0.021 0.000 0.774 399 E HN 0.255 nan 8.360 nan 0.000 0.506 400 V N -2.469 117.377 119.914 -0.113 0.000 2.724 400 V HA 0.593 4.710 4.120 -0.004 0.000 0.341 400 V C 0.299 176.300 176.094 -0.155 0.000 1.254 400 V CA -0.499 61.743 62.300 -0.096 0.000 1.261 400 V CB 0.223 32.023 31.823 -0.038 0.000 1.445 400 V HN -0.000 nan 8.190 nan 0.000 0.652 411 D N 0.159 120.560 120.400 0.001 0.000 2.268 411 D HA 0.450 5.088 4.640 -0.004 0.000 0.249 411 D C 1.141 177.440 176.300 -0.002 0.000 1.008 411 D CA 0.179 54.178 54.000 -0.001 0.000 0.939 411 D CB 1.823 42.622 40.800 -0.002 0.000 1.170 411 D HN -0.039 nan 8.370 nan 0.000 0.468 412 A N 1.810 124.627 122.820 -0.004 0.000 1.881 412 A HA -0.199 4.119 4.320 -0.004 0.000 0.219 412 A C 2.166 179.746 177.584 -0.006 0.000 1.215 412 A CA 3.456 55.488 52.037 -0.007 0.000 0.648 412 A CB -1.350 17.644 19.000 -0.009 0.000 0.832 412 A HN 0.797 nan 8.150 nan 0.000 0.455 413 A N -1.053 121.764 122.820 -0.005 0.000 1.855 413 A HA -0.050 4.267 4.320 -0.004 0.000 0.215 413 A C 2.407 179.993 177.584 0.004 0.000 1.191 413 A CA 2.642 54.677 52.037 -0.004 0.000 0.613 413 A CB -1.444 17.553 19.000 -0.004 0.000 0.829 413 A HN 0.972 nan 8.150 nan 0.000 0.442 414 T N -2.727 111.831 114.554 0.007 0.000 3.072 414 T HA -0.055 4.292 4.350 -0.004 0.000 0.266 414 T C 1.704 176.419 174.700 0.025 0.000 1.127 414 T CA 1.357 63.466 62.100 0.016 0.000 1.107 414 T CB -0.082 68.792 68.868 0.011 0.000 0.910 414 T HN 0.557 nan 8.240 nan 0.000 0.513 415 Q N -0.018 119.792 119.800 0.017 0.000 2.250 415 Q HA -0.004 4.334 4.340 -0.004 0.000 0.200 415 Q C 2.433 178.445 176.000 0.020 0.000 0.941 415 Q CA 0.647 56.462 55.803 0.021 0.000 0.872 415 Q CB -0.025 28.719 28.738 0.010 0.000 0.965 415 Q HN 0.496 nan 8.270 nan 0.000 0.480 416 Q N 0.596 120.400 119.800 0.007 0.000 2.167 416 Q HA -0.101 4.237 4.340 -0.004 0.000 0.202 416 Q C 1.681 177.681 176.000 -0.000 0.000 0.970 416 Q CA 1.418 57.216 55.803 -0.008 0.000 0.855 416 Q CB -0.148 28.578 28.738 -0.020 0.000 0.911 416 Q HN 0.459 nan 8.270 nan 0.000 0.438 417 L N -0.580 120.660 121.223 0.028 0.000 2.291 417 L HA -0.063 4.275 4.340 -0.004 0.000 0.214 417 L C 2.221 179.174 176.870 0.139 0.000 1.120 417 L CA 0.431 55.308 54.840 0.062 0.000 0.799 417 L CB -0.389 41.717 42.059 0.078 0.000 0.925 417 L HN 0.231 nan 8.230 nan 0.000 0.446 418 L N -0.813 120.499 121.223 0.149 0.000 2.023 418 L HA -0.166 4.172 4.340 -0.004 0.000 0.205 418 L C 2.794 179.697 176.870 0.055 0.000 1.073 418 L CA 1.043 56.011 54.840 0.214 0.000 0.745 418 L CB -0.222 41.926 42.059 0.148 0.000 0.900 418 L HN 0.158 nan 8.230 nan 0.000 0.435 419 S N -0.520 115.186 115.700 0.009 0.000 2.359 419 S HA -0.289 4.179 4.470 -0.004 0.000 0.223 419 S C 2.039 176.582 174.600 -0.096 0.000 1.039 419 S CA 1.776 59.952 58.200 -0.039 0.000 1.042 419 S CB -0.268 62.910 63.200 -0.037 0.000 0.915 419 S HN 0.249 nan 8.310 nan 0.000 0.439 420 R N 1.093 121.532 120.500 -0.102 0.000 2.073 420 R HA -0.002 4.336 4.340 -0.004 0.000 0.234 420 R C 2.328 178.477 176.300 -0.251 0.000 1.134 420 R CA 1.818 57.833 56.100 -0.141 0.000 0.952 420 R CB -1.283 28.956 30.300 -0.102 0.000 0.850 420 R HN 0.381 nan 8.270 nan 0.000 0.433 421 G N 0.039 108.601 108.800 -0.397 0.000 2.459 421 G HA2 -0.263 3.695 3.960 -0.004 0.000 0.217 421 G HA3 -0.263 3.695 3.960 -0.004 0.000 0.217 421 G C 1.483 175.717 174.900 -1.110 0.000 1.183 421 G CA 1.587 46.057 45.100 -1.049 0.000 0.776 421 G HN 0.359 nan 8.290 nan 0.000 0.552 422 V N -0.617 118.855 119.914 -0.736 0.000 2.392 422 V HA -0.151 3.967 4.120 -0.004 0.000 0.249 422 V C 2.612 178.580 176.094 -0.210 0.000 1.059 422 V CA 2.362 64.472 62.300 -0.316 0.000 1.051 422 V CB -0.702 31.071 31.823 -0.083 0.000 0.658 422 V HN 0.331 nan 8.190 nan 0.000 0.455 423 R N 0.139 120.519 120.500 -0.200 0.000 2.073 423 R HA 0.169 4.507 4.340 -0.004 0.000 0.229 423 R C 2.421 178.652 176.300 -0.114 0.000 1.120 423 R CA 1.729 57.751 56.100 -0.129 0.000 0.967 423 R CB -0.504 29.722 30.300 -0.122 0.000 0.862 423 R HN 0.492 nan 8.270 nan 0.000 0.436 424 L N -0.008 121.124 121.223 -0.152 0.000 2.083 424 L HA -0.167 4.170 4.340 -0.004 0.000 0.209 424 L C 2.172 178.994 176.870 -0.080 0.000 1.083 424 L CA 1.344 56.121 54.840 -0.104 0.000 0.752 424 L CB -0.799 41.191 42.059 -0.115 0.000 0.899 424 L HN 0.251 nan 8.230 nan 0.000 0.433 425 T N -0.914 113.568 114.554 -0.119 0.000 2.788 425 T HA -0.143 4.205 4.350 -0.004 0.000 0.268 425 T C 1.767 176.453 174.700 -0.023 0.000 1.044 425 T CA 1.119 63.188 62.100 -0.052 0.000 1.139 425 T CB -0.124 68.720 68.868 -0.039 0.000 0.867 425 T HN 0.316 nan 8.240 nan 0.000 0.454 426 E N 1.097 121.277 120.200 -0.033 0.000 2.150 426 E HA 0.047 4.395 4.350 -0.004 0.000 0.193 426 E C 2.278 178.880 176.600 0.004 0.000 0.985 426 E CA 0.502 56.896 56.400 -0.010 0.000 0.814 426 E CB -0.361 29.335 29.700 -0.007 0.000 0.752 426 E HN 0.459 nan 8.360 nan 0.000 0.466 427 L N 0.389 121.613 121.223 0.001 0.000 2.201 427 L HA -0.110 4.227 4.340 -0.004 0.000 0.212 427 L C 2.319 179.202 176.870 0.021 0.000 1.105 427 L CA 0.667 55.520 54.840 0.022 0.000 0.775 427 L CB -0.234 41.839 42.059 0.023 0.000 0.913 427 L HN 0.118 nan 8.230 nan 0.000 0.440 428 L N -0.899 120.331 121.223 0.012 0.000 2.341 428 L HA -0.031 4.307 4.340 -0.004 0.000 0.214 428 L C 1.127 178.003 176.870 0.010 0.000 1.115 428 L CA 0.179 55.028 54.840 0.015 0.000 0.820 428 L CB -0.262 41.808 42.059 0.019 0.000 0.944 428 L HN 0.115 nan 8.230 nan 0.000 0.452 429 K N 1.307 121.710 120.400 0.004 0.000 2.494 429 K HA 0.037 4.355 4.320 -0.004 0.000 0.273 429 K C -0.008 176.588 176.600 -0.007 0.000 0.970 429 K CA 0.761 57.044 56.287 -0.007 0.000 0.963 429 K CB 0.337 32.830 32.500 -0.011 0.000 0.913 429 K HN 0.032 nan 8.250 nan 0.000 0.502 430 Q N -0.108 119.679 119.800 -0.022 0.000 2.541 430 Q HA 0.226 4.563 4.340 -0.004 0.000 0.259 430 Q C -0.857 175.113 176.000 -0.051 0.000 0.974 430 Q CA -0.460 55.328 55.803 -0.026 0.000 0.955 430 Q CB 1.262 29.990 28.738 -0.016 0.000 1.517 430 Q HN 0.782 nan 8.270 nan 0.000 0.412 431 G N 1.646 110.411 108.800 -0.058 0.000 2.553 431 G HA2 0.311 4.268 3.960 -0.004 0.000 0.278 431 G HA3 0.311 4.268 3.960 -0.004 0.000 0.278 431 G C -0.611 174.204 174.900 -0.142 0.000 1.349 431 G CA -0.161 44.883 45.100 -0.095 0.000 1.037 431 G HN 0.587 nan 8.290 nan 0.000 0.508 432 Q N -1.880 117.765 119.800 -0.259 0.000 2.215 432 Q HA 0.429 4.767 4.340 -0.004 0.000 0.256 432 Q C -0.654 175.119 176.000 -0.377 0.000 0.972 432 Q CA -0.678 54.831 55.803 -0.491 0.000 0.889 432 Q CB 1.522 29.625 28.738 -1.059 0.000 1.281 432 Q HN 0.659 nan 8.270 nan 0.000 0.456 433 Y N -1.427 118.872 120.300 -0.002 0.000 4.798 433 Y HA -0.267 4.280 4.550 -0.004 0.000 0.237 433 Y C 0.133 176.025 175.900 -0.013 0.000 1.017 433 Y CA 0.062 58.157 58.100 -0.009 0.000 2.010 433 Y CB -1.488 36.964 38.460 -0.014 0.000 1.582 433 Y HN 0.363 nan 8.280 nan 0.000 0.621 434 S N 0.923 116.669 115.700 0.077 0.000 2.062 434 S HA 0.323 4.791 4.470 -0.004 0.000 0.163 434 S C -2.269 172.339 174.600 0.013 0.000 1.612 434 S CA -0.960 57.262 58.200 0.036 0.000 1.251 434 S CB 0.767 63.976 63.200 0.014 0.000 1.174 434 S HN 0.017 nan 8.310 nan 0.000 0.428 435 P HA 0.344 nan 4.420 nan 0.000 0.274 435 P C -0.593 176.700 177.300 -0.012 0.000 1.237 435 P CA -0.345 62.761 63.100 0.010 0.000 0.793 435 P CB 0.538 32.253 31.700 0.024 0.000 0.977 436 M N 1.098 120.690 119.600 -0.013 0.000 2.311 436 M HA 0.512 4.990 4.480 -0.004 0.000 0.325 436 M C 0.136 176.416 176.300 -0.032 0.000 1.061 436 M CA -0.898 54.386 55.300 -0.028 0.000 0.957 436 M CB 2.021 34.609 32.600 -0.019 0.000 1.646 436 M HN 0.336 nan 8.290 nan 0.000 0.434 437 A N 2.009 124.792 122.820 -0.063 0.000 2.555 437 A HA 0.047 4.364 4.320 -0.004 0.000 0.233 437 A C 1.019 178.589 177.584 -0.023 0.000 1.060 437 A CA -0.174 51.823 52.037 -0.067 0.000 0.759 437 A CB 0.021 18.962 19.000 -0.098 0.000 0.995 437 A HN 0.943 nan 8.150 nan 0.000 0.506 438 I N 0.993 121.569 120.570 0.011 0.000 2.264 438 I HA -0.220 3.948 4.170 -0.004 0.000 0.248 438 I C 2.485 178.606 176.117 0.006 0.000 1.111 438 I CA 2.372 63.687 61.300 0.025 0.000 1.382 438 I CB -0.359 37.672 38.000 0.051 0.000 1.060 438 I HN 0.857 nan 8.210 nan 0.000 0.418 439 E N 0.319 120.512 120.200 -0.012 0.000 2.150 439 E HA -0.251 4.097 4.350 -0.004 0.000 0.193 439 E C 1.779 178.353 176.600 -0.043 0.000 0.985 439 E CA 1.461 57.844 56.400 -0.028 0.000 0.814 439 E CB -0.685 28.989 29.700 -0.043 0.000 0.752 439 E HN 0.643 nan 8.360 nan 0.000 0.466 440 E N 0.870 121.038 120.200 -0.053 0.000 2.072 440 E HA -0.139 4.208 4.350 -0.004 0.000 0.190 440 E C 2.324 178.907 176.600 -0.028 0.000 0.982 440 E CA 1.021 57.380 56.400 -0.069 0.000 0.803 440 E CB -0.043 29.609 29.700 -0.081 0.000 0.755 440 E HN 0.382 nan 8.360 nan 0.000 0.453 441 Q N 0.287 120.084 119.800 -0.004 0.000 2.084 441 Q HA -0.162 4.176 4.340 -0.004 0.000 0.202 441 Q C 2.599 178.630 176.000 0.052 0.000 0.978 441 Q CA 1.903 57.720 55.803 0.024 0.000 0.844 441 Q CB -0.247 28.506 28.738 0.025 0.000 0.898 441 Q HN 0.322 nan 8.270 nan 0.000 0.426 442 V N -1.662 118.281 119.914 0.048 0.000 2.379 442 V HA -0.088 4.030 4.120 -0.004 0.000 0.245 442 V C 2.126 178.299 176.094 0.132 0.000 1.044 442 V CA 1.646 63.996 62.300 0.083 0.000 1.036 442 V CB -0.962 30.901 31.823 0.067 0.000 0.664 442 V HN 0.276 nan 8.190 nan 0.000 0.453 443 A N 0.379 123.247 122.820 0.080 0.000 1.908 443 A HA -0.117 4.201 4.320 -0.004 0.000 0.218 443 A C 2.415 180.187 177.584 0.315 0.000 1.181 443 A CA 2.482 54.590 52.037 0.120 0.000 0.627 443 A CB -1.032 17.948 19.000 -0.033 0.000 0.818 443 A HN 0.526 nan 8.150 nan 0.000 0.445 444 V N 0.065 120.120 119.914 0.235 0.000 2.295 444 V HA -0.264 3.854 4.120 -0.004 0.000 0.246 444 V C 2.416 178.640 176.094 0.216 0.000 1.049 444 V CA 2.135 64.599 62.300 0.273 0.000 1.024 444 V CB -0.645 31.273 31.823 0.158 0.000 0.648 444 V HN 0.586 nan 8.190 nan 0.000 0.447 445 I N -1.195 119.474 120.570 0.165 0.000 2.394 445 I HA -0.260 3.908 4.170 -0.004 0.000 0.251 445 I C 2.351 178.559 176.117 0.152 0.000 1.136 445 I CA 1.687 63.062 61.300 0.126 0.000 1.425 445 I CB -0.464 37.592 38.000 0.092 0.000 1.079 445 I HN 0.362 nan 8.210 nan 0.000 0.425 446 Y N 1.956 122.306 120.300 0.083 0.000 2.081 446 Y HA -0.389 4.158 4.550 -0.004 0.000 0.280 446 Y C 2.615 178.580 175.900 0.109 0.000 1.163 446 Y CA 1.777 59.931 58.100 0.090 0.000 1.135 446 Y CB -0.447 38.069 38.460 0.093 0.000 0.970 446 Y HN 0.138 nan 8.280 nan 0.000 0.498 447 A N 0.432 123.437 122.820 0.309 0.000 1.896 447 A HA -0.309 4.009 4.320 -0.004 0.000 0.220 447 A C 2.474 180.113 177.584 0.091 0.000 1.206 447 A CA 2.532 54.650 52.037 0.135 0.000 0.647 447 A CB -1.911 17.078 19.000 -0.018 0.000 0.828 447 A HN 0.679 nan 8.150 nan 0.000 0.455 448 G N -0.663 108.164 108.800 0.045 0.000 2.484 448 G HA2 -0.145 3.812 3.960 -0.004 0.000 0.215 448 G HA3 -0.145 3.812 3.960 -0.004 0.000 0.215 448 G C 1.601 176.467 174.900 -0.058 0.000 1.219 448 G CA 2.370 47.461 45.100 -0.015 0.000 0.791 448 G HN 1.229 nan 8.290 nan 0.000 0.550 449 V N -1.798 118.078 119.914 -0.063 0.000 3.078 449 V HA 0.180 4.298 4.120 -0.004 0.000 0.265 449 V C 1.843 177.835 176.094 -0.169 0.000 1.122 449 V CA 1.152 63.392 62.300 -0.100 0.000 1.141 449 V CB -0.384 31.396 31.823 -0.070 0.000 0.735 449 V HN 0.145 nan 8.190 nan 0.000 0.498 450 R N 0.868 121.236 120.500 -0.221 0.000 2.515 450 R HA 0.368 4.706 4.340 -0.004 0.000 0.294 450 R C 1.723 177.775 176.300 -0.413 0.000 1.021 450 R CA 0.456 56.373 56.100 -0.306 0.000 1.081 450 R CB -0.134 29.939 30.300 -0.378 0.000 1.263 450 R HN 0.767 nan 8.270 nan 0.000 0.557 451 G N 0.605 109.242 108.800 -0.272 0.000 2.220 451 G HA2 -0.393 3.565 3.960 -0.004 0.000 0.269 451 G HA3 -0.393 3.565 3.960 -0.004 0.000 0.269 451 G C 0.759 175.483 174.900 -0.293 0.000 0.977 451 G CA 0.574 45.502 45.100 -0.287 0.000 0.634 451 G HN 0.455 nan 8.290 nan 0.000 0.539 452 Y N 0.309 120.506 120.300 -0.172 0.000 2.465 452 Y HA 0.107 4.655 4.550 -0.004 0.000 0.289 452 Y C 2.758 178.474 175.900 -0.307 0.000 1.150 452 Y CA 1.467 59.447 58.100 -0.200 0.000 1.293 452 Y CB -0.162 38.194 38.460 -0.175 0.000 0.977 452 Y HN 0.397 nan 8.280 nan 0.000 0.556 453 L N -0.952 120.172 121.223 -0.164 0.000 2.477 453 L HA -0.052 4.285 4.340 -0.004 0.000 0.220 453 L C 1.459 178.213 176.870 -0.193 0.000 1.106 453 L CA 0.165 54.848 54.840 -0.262 0.000 0.851 453 L CB -0.257 41.678 42.059 -0.207 0.000 0.994 453 L HN 0.093 nan 8.230 nan 0.000 0.462 454 D N 1.215 121.522 120.400 -0.155 0.000 2.158 454 D HA -0.203 4.435 4.640 -0.004 0.000 0.197 454 D C 1.959 178.197 176.300 -0.104 0.000 0.995 454 D CA 1.363 55.289 54.000 -0.123 0.000 0.846 454 D CB -0.024 40.704 40.800 -0.120 0.000 0.941 454 D HN 0.286 nan 8.370 nan 0.000 0.456 455 K N -0.300 120.035 120.400 -0.108 0.000 2.365 455 K HA 0.045 4.363 4.320 -0.004 0.000 0.199 455 K C 0.792 177.353 176.600 -0.065 0.000 1.045 455 K CA 0.149 56.389 56.287 -0.077 0.000 0.962 455 K CB 0.206 32.667 32.500 -0.065 0.000 0.759 455 K HN 0.141 nan 8.250 nan 0.000 0.469 456 L N 0.892 122.060 121.223 -0.093 0.000 2.439 456 L HA 0.191 4.529 4.340 -0.004 0.000 0.259 456 L C 0.220 177.069 176.870 -0.036 0.000 1.129 456 L CA -0.616 54.190 54.840 -0.056 0.000 0.803 456 L CB 0.710 42.708 42.059 -0.102 0.000 1.161 456 L HN -0.054 nan 8.230 nan 0.000 0.462 457 E N 1.022 121.223 120.200 0.002 0.000 2.301 457 E HA 0.131 4.479 4.350 -0.004 0.000 0.275 457 E C -1.666 174.940 176.600 0.010 0.000 1.030 457 E CA -1.547 54.856 56.400 0.006 0.000 0.852 457 E CB 1.255 30.966 29.700 0.018 0.000 1.060 457 E HN 0.300 nan 8.360 nan 0.000 0.401 458 P HA -0.231 nan 4.420 nan 0.000 0.217 458 P C 0.897 178.209 177.300 0.020 0.000 1.151 458 P CA 1.381 64.480 63.100 -0.001 0.000 0.849 458 P CB 0.132 31.831 31.700 -0.000 0.000 0.787 459 S N -2.155 113.563 115.700 0.030 0.000 2.607 459 S HA 0.062 4.530 4.470 -0.004 0.000 0.224 459 S C 1.412 176.054 174.600 0.069 0.000 0.969 459 S CA 0.578 58.802 58.200 0.040 0.000 0.927 459 S CB -0.535 62.684 63.200 0.032 0.000 0.772 459 S HN 0.150 nan 8.310 nan 0.000 0.533 460 K N -0.154 120.301 120.400 0.091 0.000 2.402 460 K HA 0.404 4.722 4.320 -0.004 0.000 0.203 460 K C 1.091 177.800 176.600 0.182 0.000 1.077 460 K CA -0.166 56.221 56.287 0.168 0.000 1.051 460 K CB 0.207 32.840 32.500 0.221 0.000 0.907 460 K HN 0.185 nan 8.250 nan 0.000 0.554 461 I N 1.365 121.995 120.570 0.099 0.000 2.179 461 I HA -0.245 3.923 4.170 -0.004 0.000 0.242 461 I C 1.818 178.014 176.117 0.132 0.000 1.088 461 I CA 1.715 63.067 61.300 0.086 0.000 1.357 461 I CB -1.213 36.801 38.000 0.023 0.000 1.051 461 I HN 0.129 nan 8.210 nan 0.000 0.409 462 T N 0.804 115.418 114.554 0.099 0.000 2.665 462 T HA -0.277 4.071 4.350 -0.004 0.000 0.268 462 T C 2.005 176.781 174.700 0.127 0.000 1.035 462 T CA 2.056 64.211 62.100 0.092 0.000 1.151 462 T CB -0.217 68.687 68.868 0.060 0.000 0.862 462 T HN 0.264 nan 8.240 nan 0.000 0.438 463 K N -0.097 120.408 120.400 0.175 0.000 2.057 463 K HA -0.073 4.245 4.320 -0.004 0.000 0.207 463 K C 2.000 178.763 176.600 0.271 0.000 1.049 463 K CA 1.255 57.689 56.287 0.244 0.000 0.931 463 K CB -0.332 32.359 32.500 0.318 0.000 0.714 463 K HN 0.324 nan 8.250 nan 0.000 0.440 464 F N 1.855 121.809 119.950 0.006 0.000 2.186 464 F HA -0.127 4.398 4.527 -0.004 0.000 0.299 464 F C 2.172 177.935 175.800 -0.062 0.000 1.090 464 F CA 1.679 59.460 58.000 -0.364 0.000 1.307 464 F CB -0.108 38.548 39.000 -0.573 0.000 1.019 464 F HN 0.170 nan 8.300 nan 0.000 0.489 465 E N 0.151 120.418 120.200 0.112 0.000 2.077 465 E HA -0.257 4.091 4.350 -0.004 0.000 0.193 465 E C 1.825 178.434 176.600 0.015 0.000 0.989 465 E CA 1.805 58.265 56.400 0.100 0.000 0.800 465 E CB -0.327 29.447 29.700 0.124 0.000 0.746 465 E HN 0.622 nan 8.360 nan 0.000 0.452 466 N N -0.264 118.449 118.700 0.022 0.000 2.207 466 N HA -0.072 4.666 4.740 -0.004 0.000 0.182 466 N C 1.869 177.372 175.510 -0.011 0.000 1.020 466 N CA 0.675 53.728 53.050 0.004 0.000 0.858 466 N CB -0.074 38.435 38.487 0.037 0.000 0.991 466 N HN 0.130 nan 8.380 nan 0.000 0.427 467 A N 0.959 123.809 122.820 0.050 0.000 1.902 467 A HA -0.173 4.145 4.320 -0.004 0.000 0.217 467 A C 1.927 179.467 177.584 -0.073 0.000 1.181 467 A CA 1.119 53.248 52.037 0.154 0.000 0.623 467 A CB -0.767 18.483 19.000 0.417 0.000 0.818 467 A HN 0.406 nan 8.150 nan 0.000 0.443 468 F N 0.098 119.690 119.950 -0.598 0.000 2.163 468 F HA -0.021 4.503 4.527 -0.004 0.000 0.297 468 F C 1.774 177.212 175.800 -0.604 0.000 1.094 468 F CA 1.399 58.718 58.000 -1.136 0.000 1.290 468 F CB -0.417 37.851 39.000 -1.220 0.000 1.017 468 F HN 0.184 nan 8.300 nan 0.000 0.483 469 L N 0.567 121.459 121.223 -0.551 0.000 2.046 469 L HA -0.126 4.212 4.340 -0.004 0.000 0.208 469 L C 2.616 179.256 176.870 -0.382 0.000 1.077 469 L CA 2.383 56.923 54.840 -0.500 0.000 0.747 469 L CB -1.213 40.709 42.059 -0.228 0.000 0.896 469 L HN 0.350 nan 8.230 nan 0.000 0.432 470 S N -2.120 113.433 115.700 -0.246 0.000 2.436 470 S HA -0.225 4.243 4.470 -0.004 0.000 0.228 470 S C 2.181 176.690 174.600 -0.151 0.000 1.014 470 S CA 0.798 58.904 58.200 -0.158 0.000 0.950 470 S CB -0.982 62.176 63.200 -0.070 0.000 0.784 470 S HN 0.735 nan 8.310 nan 0.000 0.504 471 H N 1.762 120.649 119.070 -0.305 0.000 2.326 471 H HA -0.059 4.495 4.556 -0.004 0.000 0.301 471 H C 2.239 177.427 175.328 -0.233 0.000 1.081 471 H CA 2.174 58.075 56.048 -0.245 0.000 1.334 471 H CB -0.125 29.415 29.762 -0.370 0.000 1.385 471 H HN 0.455 nan 8.280 nan 0.000 0.504 472 V N -0.854 118.777 119.914 -0.473 0.000 2.667 472 V HA -0.110 4.008 4.120 -0.004 0.000 0.252 472 V C 2.552 178.472 176.094 -0.289 0.000 1.065 472 V CA 1.344 63.405 62.300 -0.397 0.000 1.083 472 V CB -0.800 30.681 31.823 -0.571 0.000 0.692 472 V HN 0.276 nan 8.190 nan 0.000 0.468 473 I N 0.896 121.298 120.570 -0.281 0.000 2.315 473 I HA -0.159 4.009 4.170 -0.004 0.000 0.248 473 I C 2.773 178.781 176.117 -0.181 0.000 1.117 473 I CA 1.922 63.100 61.300 -0.203 0.000 1.404 473 I CB -0.192 37.703 38.000 -0.175 0.000 1.071 473 I HN 0.425 nan 8.210 nan 0.000 0.419 474 S N -0.742 114.838 115.700 -0.201 0.000 2.458 474 S HA -0.023 4.444 4.470 -0.004 0.000 0.223 474 S C 1.843 176.304 174.600 -0.231 0.000 1.019 474 S CA 0.653 58.747 58.200 -0.175 0.000 0.937 474 S CB 0.168 63.291 63.200 -0.128 0.000 0.788 474 S HN 0.333 nan 8.310 nan 0.000 0.511 475 Q N -0.279 119.310 119.800 -0.352 0.000 2.471 475 Q HA 0.201 4.539 4.340 -0.004 0.000 0.241 475 Q C 0.027 175.668 176.000 -0.599 0.000 0.886 475 Q CA 0.692 56.192 55.803 -0.506 0.000 0.953 475 Q CB 0.047 28.349 28.738 -0.726 0.000 1.108 475 Q HN 0.649 nan 8.270 nan 0.000 0.575 476 H N 0.643 119.555 119.070 -0.263 0.000 2.505 476 H HA 0.240 4.794 4.556 -0.004 0.000 0.260 476 H C 1.067 176.292 175.328 -0.172 0.000 1.232 476 H CA -0.167 55.763 56.048 -0.198 0.000 0.991 476 H CB 0.679 30.317 29.762 -0.206 0.000 1.729 476 H HN -0.011 nan 8.280 nan 0.000 0.561 477 Q N 0.859 120.600 119.800 -0.098 0.000 2.135 477 Q HA -0.133 4.205 4.340 -0.004 0.000 0.204 477 Q C 2.345 178.306 176.000 -0.065 0.000 0.981 477 Q CA 1.291 57.041 55.803 -0.090 0.000 0.856 477 Q CB -0.093 28.588 28.738 -0.095 0.000 0.902 477 Q HN 0.673 nan 8.270 nan 0.000 0.425 478 A N 1.178 123.967 122.820 -0.052 0.000 1.917 478 A HA -0.188 4.129 4.320 -0.004 0.000 0.219 478 A C 2.041 179.604 177.584 -0.035 0.000 1.182 478 A CA 1.386 53.400 52.037 -0.038 0.000 0.633 478 A CB -0.737 18.246 19.000 -0.029 0.000 0.819 478 A HN 0.402 nan 8.150 nan 0.000 0.448 479 L N -0.591 120.614 121.223 -0.031 0.000 2.072 479 L HA -0.053 4.285 4.340 -0.004 0.000 0.205 479 L C 2.383 179.213 176.870 -0.066 0.000 1.079 479 L CA 1.617 56.428 54.840 -0.047 0.000 0.752 479 L CB -0.654 41.370 42.059 -0.058 0.000 0.906 479 L HN 0.447 nan 8.230 nan 0.000 0.436 480 L N 0.346 121.522 121.223 -0.077 0.000 2.046 480 L HA -0.196 4.142 4.340 -0.004 0.000 0.208 480 L C 3.075 179.906 176.870 -0.065 0.000 1.077 480 L CA 1.496 56.284 54.840 -0.086 0.000 0.747 480 L CB -0.992 41.003 42.059 -0.107 0.000 0.896 480 L HN 0.410 nan 8.230 nan 0.000 0.432 481 S N 0.427 116.092 115.700 -0.058 0.000 2.359 481 S HA -0.284 4.184 4.470 -0.004 0.000 0.224 481 S C 2.139 176.718 174.600 -0.035 0.000 1.035 481 S CA 2.108 60.280 58.200 -0.046 0.000 1.018 481 S CB -0.377 nan 63.200 nan 0.000 0.876 481 S HN 0.161 nan 8.310 nan 0.000 0.448 482 K N 0.724 121.103 120.400 -0.035 0.000 2.103 482 K HA 0.043 4.361 4.320 -0.004 0.000 0.207 482 K C 1.713 178.298 176.600 -0.026 0.000 1.048 482 K CA 1.236 57.507 56.287 -0.027 0.000 0.930 482 K CB -0.409 32.075 32.500 -0.027 0.000 0.716 482 K HN 0.600 nan 8.250 nan 0.000 0.444 483 I N -0.132 120.417 120.570 -0.034 0.000 2.252 483 I HA -0.241 3.926 4.170 -0.004 0.000 0.245 483 I C 2.573 178.680 176.117 -0.017 0.000 1.102 483 I CA 1.148 62.431 61.300 -0.029 0.000 1.385 483 I CB -0.283 37.692 38.000 -0.042 0.000 1.064 483 I HN 0.198 nan 8.210 nan 0.000 0.414 484 R N 0.744 121.232 120.500 -0.020 0.000 2.081 484 R HA -0.164 4.173 4.340 -0.004 0.000 0.235 484 R C 2.222 178.521 176.300 -0.000 0.000 1.131 484 R CA 2.180 58.276 56.100 -0.007 0.000 0.960 484 R CB -0.314 29.978 30.300 -0.013 0.000 0.856 484 R HN 0.228 nan 8.270 nan 0.000 0.436 485 T N 0.698 115.248 114.554 -0.007 0.000 2.777 485 T HA -0.075 4.272 4.350 -0.004 0.000 0.266 485 T C 0.974 175.672 174.700 -0.003 0.000 1.040 485 T CA 1.477 63.574 62.100 -0.005 0.000 1.141 485 T CB -0.200 68.662 68.868 -0.009 0.000 0.868 485 T HN 0.302 nan 8.240 nan 0.000 0.444 486 D N 0.266 120.663 120.400 -0.005 0.000 2.347 486 D HA 0.152 4.790 4.640 -0.004 0.000 0.213 486 D C 1.713 178.013 176.300 -0.000 0.000 0.985 486 D CA 0.694 54.692 54.000 -0.003 0.000 0.879 486 D CB -0.462 40.335 40.800 -0.004 0.000 0.919 486 D HN 0.471 nan 8.370 nan 0.000 0.526 487 G N 1.086 109.887 108.800 0.001 0.000 2.212 487 G HA2 -0.339 3.619 3.960 -0.004 0.000 0.267 487 G HA3 -0.339 3.619 3.960 -0.004 0.000 0.267 487 G C 0.469 175.373 174.900 0.007 0.000 1.002 487 G CA 1.028 46.130 45.100 0.004 0.000 0.729 487 G HN 0.444 nan 8.290 nan 0.000 0.517 488 K N -0.957 119.447 120.400 0.006 0.000 2.533 488 K HA 0.667 4.984 4.320 -0.004 0.000 0.272 488 K C -0.899 175.707 176.600 0.010 0.000 0.985 488 K CA -1.227 55.067 56.287 0.012 0.000 0.876 488 K CB 1.283 33.790 32.500 0.011 0.000 1.452 488 K HN 0.054 nan 8.250 nan 0.000 0.439 489 I N 3.067 123.650 120.570 0.022 0.000 2.330 489 I HA 0.150 4.318 4.170 -0.004 0.000 0.286 489 I C 0.206 176.337 176.117 0.024 0.000 1.025 489 I CA -0.495 60.817 61.300 0.019 0.000 1.197 489 I CB 1.516 39.545 38.000 0.048 0.000 1.358 489 I HN 0.559 nan 8.210 nan 0.000 0.467 490 S N 3.590 119.296 115.700 0.011 0.000 2.645 490 S HA 0.192 4.660 4.470 -0.004 0.000 0.266 490 S C 0.955 175.568 174.600 0.022 0.000 1.258 490 S CA -0.666 57.543 58.200 0.015 0.000 0.990 490 S CB 1.600 64.804 63.200 0.007 0.000 0.967 490 S HN 0.711 nan 8.310 nan 0.000 0.556 491 E N 0.291 120.506 120.200 0.025 0.000 2.204 491 E HA -0.196 4.152 4.350 -0.004 0.000 0.195 491 E C 1.863 178.480 176.600 0.028 0.000 0.990 491 E CA 1.053 57.473 56.400 0.032 0.000 0.821 491 E CB -0.025 29.692 29.700 0.029 0.000 0.750 491 E HN 0.854 nan 8.360 nan 0.000 0.477 492 E N -0.107 120.103 120.200 0.017 0.000 2.028 492 E HA -0.136 4.211 4.350 -0.004 0.000 0.190 492 E C 2.072 178.672 176.600 -0.000 0.000 0.984 492 E CA 1.210 57.616 56.400 0.010 0.000 0.800 492 E CB -0.014 29.689 29.700 0.006 0.000 0.758 492 E HN 0.035 nan 8.360 nan 0.000 0.448 493 S N 1.005 116.698 115.700 -0.012 0.000 2.374 493 S HA -0.234 4.234 4.470 -0.004 0.000 0.227 493 S C 1.582 176.144 174.600 -0.064 0.000 1.037 493 S CA 1.663 59.838 58.200 -0.042 0.000 1.024 493 S CB -0.515 62.660 63.200 -0.043 0.000 0.861 493 S HN 0.446 nan 8.310 nan 0.000 0.456 494 D N 1.414 121.807 120.400 -0.011 0.000 2.084 494 D HA -0.065 4.573 4.640 -0.004 0.000 0.194 494 D C 2.012 178.349 176.300 0.062 0.000 0.990 494 D CA 1.586 55.612 54.000 0.044 0.000 0.826 494 D CB -0.490 40.389 40.800 0.132 0.000 0.971 494 D HN 0.295 nan 8.370 nan 0.000 0.453 495 A N -0.171 122.684 122.820 0.058 0.000 1.972 495 A HA -0.156 4.162 4.320 -0.004 0.000 0.219 495 A C 2.173 179.775 177.584 0.030 0.000 1.169 495 A CA 2.016 54.090 52.037 0.062 0.000 0.635 495 A CB -0.613 18.417 19.000 0.050 0.000 0.810 495 A HN 0.233 nan 8.150 nan 0.000 0.446 496 K N -0.860 119.535 120.400 -0.010 0.000 2.103 496 K HA 0.006 4.324 4.320 -0.004 0.000 0.204 496 K C 1.589 178.133 176.600 -0.094 0.000 1.052 496 K CA 0.935 57.199 56.287 -0.038 0.000 0.945 496 K CB -0.324 32.151 32.500 -0.042 0.000 0.722 496 K HN 0.308 nan 8.250 nan 0.000 0.443 497 L N 1.043 122.171 121.223 -0.158 0.000 2.465 497 L HA 0.043 4.381 4.340 -0.004 0.000 0.224 497 L C 1.775 178.550 176.870 -0.159 0.000 1.145 497 L CA 1.501 56.163 54.840 -0.297 0.000 0.834 497 L CB -0.329 41.342 42.059 -0.646 0.000 0.944 497 L HN 0.122 nan 8.230 nan 0.000 0.451 498 K N -0.904 119.516 120.400 0.034 0.000 2.116 498 K HA -0.114 4.204 4.320 -0.004 0.000 0.203 498 K C 1.846 178.490 176.600 0.073 0.000 1.052 498 K CA 0.789 57.181 56.287 0.175 0.000 0.952 498 K CB 0.179 32.821 32.500 0.236 0.000 0.729 498 K HN 0.323 nan 8.250 nan 0.000 0.446 499 E N 0.815 121.035 120.200 0.033 0.000 2.015 499 E HA -0.170 4.178 4.350 -0.004 0.000 0.191 499 E C 2.087 178.693 176.600 0.010 0.000 0.991 499 E CA 1.230 57.649 56.400 0.031 0.000 0.802 499 E CB -0.158 29.557 29.700 0.025 0.000 0.759 499 E HN 0.310 nan 8.360 nan 0.000 0.447 500 I N 0.824 121.355 120.570 -0.064 0.000 2.194 500 I HA -0.292 3.876 4.170 -0.004 0.000 0.246 500 I C 2.483 178.642 176.117 0.071 0.000 1.093 500 I CA 0.907 62.154 61.300 -0.088 0.000 1.355 500 I CB -0.332 37.469 38.000 -0.333 0.000 1.046 500 I HN -0.032 nan 8.210 nan 0.000 0.413 501 V N 0.189 120.082 119.914 -0.035 0.000 2.323 501 V HA -0.228 3.890 4.120 -0.004 0.000 0.244 501 V C 2.489 178.532 176.094 -0.085 0.000 1.041 501 V CA 2.403 64.600 62.300 -0.171 0.000 1.025 501 V CB -0.911 30.513 31.823 -0.666 0.000 0.656 501 V HN 0.451 nan 8.190 nan 0.000 0.451 502 T N 0.104 114.618 114.554 -0.067 0.000 2.746 502 T HA -0.215 4.133 4.350 -0.004 0.000 0.267 502 T C 1.725 176.495 174.700 0.117 0.000 1.039 502 T CA 2.002 64.157 62.100 0.091 0.000 1.142 502 T CB -0.529 68.426 68.868 0.146 0.000 0.866 502 T HN 0.558 nan 8.240 nan 0.000 0.444 503 N N -0.118 118.656 118.700 0.123 0.000 2.166 503 N HA -0.068 4.670 4.740 -0.004 0.000 0.186 503 N C 1.598 177.205 175.510 0.161 0.000 1.019 503 N CA 0.983 54.117 53.050 0.140 0.000 0.856 503 N CB -0.170 38.415 38.487 0.164 0.000 0.993 503 N HN 0.271 nan 8.380 nan 0.000 0.426 504 F N 1.296 121.280 119.950 0.056 0.000 2.149 504 F HA 0.032 4.557 4.527 -0.004 0.000 0.294 504 F C 2.015 177.902 175.800 0.144 0.000 1.095 504 F CA 0.427 58.447 58.000 0.033 0.000 1.276 504 F CB -0.336 38.682 39.000 0.030 0.000 1.023 504 F HN -0.081 nan 8.300 nan 0.000 0.480 505 L N 0.943 122.326 121.223 0.267 0.000 2.083 505 L HA -0.038 4.300 4.340 -0.004 0.000 0.209 505 L C 2.265 179.223 176.870 0.147 0.000 1.083 505 L CA 2.141 57.145 54.840 0.273 0.000 0.752 505 L CB -1.273 40.902 42.059 0.193 0.000 0.899 505 L HN 0.133 nan 8.230 nan 0.000 0.433 506 A N -0.867 122.005 122.820 0.088 0.000 2.015 506 A HA 0.080 4.398 4.320 -0.004 0.000 0.219 506 A C 2.113 179.700 177.584 0.005 0.000 1.163 506 A CA 1.175 53.242 52.037 0.050 0.000 0.646 506 A CB -1.094 17.935 19.000 0.049 0.000 0.806 506 A HN 0.534 nan 8.150 nan 0.000 0.448 507 G N -2.077 106.693 108.800 -0.050 0.000 3.126 507 G HA2 0.321 4.279 3.960 -0.004 0.000 0.224 507 G HA3 0.321 4.279 3.960 -0.004 0.000 0.224 507 G C 0.111 174.896 174.900 -0.193 0.000 1.142 507 G CA -0.284 44.743 45.100 -0.121 0.000 0.759 507 G HN 0.337 nan 8.290 nan 0.000 0.550 508 F N 2.228 121.974 119.950 -0.339 0.000 2.438 508 F HA 0.508 5.033 4.527 -0.004 0.000 0.356 508 F C 0.310 176.044 175.800 -0.111 0.000 1.099 508 F CA -1.023 56.800 58.000 -0.295 0.000 1.185 508 F CB 0.809 39.725 39.000 -0.140 0.000 1.115 508 F HN 0.058 nan 8.300 nan 0.000 0.526 509 E N 0.000 119.781 120.200 -0.698 0.000 2.725 509 E HA 0.000 4.348 4.350 -0.004 0.000 0.291 509 E CA 0.000 56.099 56.400 -0.502 0.000 0.976 509 E CB 0.000 29.533 29.700 -0.278 0.000 0.812 509 E HN 0.000 nan 8.360 nan 0.000 0.440