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 2zci_1_A DATA FIRST_RESID 13 DATA SEQUENCE APTKNKELLN WIADAVELFQ PEAVVFVDGS QAEWDRMAED LVEAGTLIKL DATA SEQUENCE NEEKRPNSYL ARSNPSDVAR VESRTFICSE KEEDAGPTNN WAPPQAMKDE DATA SEQUENCE MSKHYAGSMK GRTMYVVPFC MGPISDPDPK LGVQLTDSEY VVMSMRIMTR DATA SEQUENCE MGIEALDKIG ANGSFVRCLH SVGAPLEPGQ EDVAWPCNDT KYITQFPETK DATA SEQUENCE EIWSYGSGYG GNAILAKKCY ALRIASVMAR EEGWMAEHML ILKLINPEGK DATA SEQUENCE AYHIAAAFPS ACGKTNLAMI TPTIPGWTAQ VVGDDIAWLK LREDGLYAVN DATA SEQUENCE PENGFFGVAP GTNYASNPIA MKTMEPGNTL FTNVALTDDG DIWWEGMDGD DATA SEQUENCE APAHLIDWMG NDWTPESDEN AAHPNSRYCV AIDQSPAAAP EFNDWEGVKI DATA SEQUENCE DAILFGGRRA DTVPLVTQTY DWEHGTMVGA LLASGQXXXX XXXXVGTLRH DATA SEQUENCE DPMAMLPFIG YNAGEYLQNW IDMGNKGGDK MPSIFLVNWF RRGEDGRFLW DATA SEQUENCE PGFGDNSRVL KWVIDRIEGH VGADETVVGH TAKAEDLDLD GLDTPIEDVK DATA SEQUENCE EALTAPAEQW ANDVEDNAEY LTFLGPRVPA EVHSQFDALK ARIS 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 13 A HA 0.000 nan 4.320 nan 0.000 0.244 13 A C 0.000 177.345 177.584 -0.399 0.000 1.274 13 A CA 0.000 51.781 52.037 -0.428 0.000 0.836 13 A CB 0.000 18.782 19.000 -0.363 0.000 0.831 14 P HA 0.207 nan 4.420 nan 0.000 0.255 14 P C 0.145 177.317 177.300 -0.213 0.000 1.301 14 P CA 0.714 63.627 63.100 -0.312 0.000 0.817 14 P CB 0.381 31.911 31.700 -0.284 0.000 1.259 15 T N -0.535 113.894 114.554 -0.210 0.000 2.893 15 T HA 0.405 4.756 4.350 0.001 0.000 0.293 15 T C 0.324 175.010 174.700 -0.024 0.000 1.027 15 T CA -0.492 61.570 62.100 -0.064 0.000 0.988 15 T CB 1.365 70.256 68.868 0.037 0.000 1.043 15 T HN -0.372 nan 8.240 nan 0.000 0.461 16 K N 2.312 122.716 120.400 0.007 0.000 2.358 16 K HA 0.280 4.600 4.320 0.001 0.000 0.197 16 K C 0.608 177.242 176.600 0.055 0.000 1.025 16 K CA -0.089 56.212 56.287 0.022 0.000 1.104 16 K CB 0.010 32.518 32.500 0.013 0.000 0.855 16 K HN 0.561 nan 8.250 nan 0.000 0.531 17 N N 1.165 119.912 118.700 0.079 0.000 2.418 17 N HA -0.084 4.657 4.740 0.001 0.000 0.277 17 N C 0.742 176.343 175.510 0.152 0.000 1.317 17 N CA 0.139 53.263 53.050 0.123 0.000 0.922 17 N CB 0.429 39.007 38.487 0.151 0.000 1.194 17 N HN -0.053 nan 8.380 nan 0.000 0.485 18 K N 2.161 122.641 120.400 0.134 0.000 2.242 18 K HA 0.060 4.381 4.320 0.001 0.000 0.200 18 K C 1.270 177.969 176.600 0.165 0.000 1.050 18 K CA 0.516 56.879 56.287 0.128 0.000 0.981 18 K CB 0.294 32.846 32.500 0.087 0.000 0.795 18 K HN 0.484 nan 8.250 nan 0.000 0.477 19 E N 0.733 121.038 120.200 0.175 0.000 2.038 19 E HA -0.211 4.139 4.350 0.001 0.000 0.195 19 E C 1.895 178.707 176.600 0.354 0.000 1.000 19 E CA 0.983 57.502 56.400 0.198 0.000 0.803 19 E CB -0.374 29.391 29.700 0.109 0.000 0.750 19 E HN 0.179 nan 8.360 nan 0.000 0.448 20 L N 1.063 122.553 121.223 0.446 0.000 2.012 20 L HA -0.171 4.170 4.340 0.001 0.000 0.210 20 L C 2.339 179.460 176.870 0.417 0.000 1.073 20 L CA 1.520 56.666 54.840 0.509 0.000 0.748 20 L CB -0.693 41.526 42.059 0.266 0.000 0.891 20 L HN 0.081 nan 8.230 nan 0.000 0.431 21 L N -0.434 120.963 121.223 0.291 0.000 2.083 21 L HA -0.223 4.117 4.340 0.001 0.000 0.209 21 L C 2.359 179.342 176.870 0.189 0.000 1.083 21 L CA 1.123 56.099 54.840 0.227 0.000 0.752 21 L CB -0.844 41.315 42.059 0.167 0.000 0.899 21 L HN 0.389 nan 8.230 nan 0.000 0.433 22 N N -0.530 118.295 118.700 0.207 0.000 2.058 22 N HA -0.247 4.494 4.740 0.001 0.000 0.191 22 N C 1.430 177.067 175.510 0.213 0.000 1.037 22 N CA 1.449 54.606 53.050 0.180 0.000 0.848 22 N CB -0.596 37.999 38.487 0.181 0.000 1.021 22 N HN 0.405 nan 8.380 nan 0.000 0.422 23 W N 1.991 123.360 121.300 0.115 0.000 2.335 23 W HA -0.037 4.623 4.660 0.001 0.000 0.311 23 W C 2.006 178.570 176.519 0.075 0.000 1.213 23 W CA 1.175 58.592 57.345 0.120 0.000 1.274 23 W CB -0.580 29.008 29.460 0.213 0.000 1.148 23 W HN -0.015 nan 8.180 nan 0.000 0.498 24 I N 0.803 121.326 120.570 -0.077 0.000 2.179 24 I HA -0.319 3.852 4.170 0.001 0.000 0.242 24 I C 2.704 178.713 176.117 -0.179 0.000 1.088 24 I CA 1.642 62.777 61.300 -0.275 0.000 1.357 24 I CB -1.350 36.567 38.000 -0.138 0.000 1.051 24 I HN 0.082 nan 8.210 nan 0.000 0.409 25 A N 0.876 123.666 122.820 -0.051 0.000 1.869 25 A HA -0.334 3.987 4.320 0.001 0.000 0.218 25 A C 2.011 179.560 177.584 -0.059 0.000 1.203 25 A CA 2.574 54.593 52.037 -0.030 0.000 0.638 25 A CB -0.925 18.087 19.000 0.020 0.000 0.831 25 A HN 0.390 nan 8.150 nan 0.000 0.450 26 D N -0.297 120.067 120.400 -0.060 0.000 2.106 26 D HA -0.122 4.519 4.640 0.001 0.000 0.191 26 D C 2.264 178.478 176.300 -0.143 0.000 0.997 26 D CA 1.865 55.819 54.000 -0.077 0.000 0.834 26 D CB -0.551 40.231 40.800 -0.030 0.000 0.956 26 D HN 0.461 nan 8.370 nan 0.000 0.448 27 A N 0.428 123.104 122.820 -0.239 0.000 1.898 27 A HA -0.117 4.203 4.320 0.001 0.000 0.216 27 A C 2.576 180.163 177.584 0.005 0.000 1.181 27 A CA 1.182 53.125 52.037 -0.157 0.000 0.620 27 A CB -0.789 18.000 19.000 -0.351 0.000 0.819 27 A HN 0.143 nan 8.150 nan 0.000 0.442 28 V N 0.005 119.860 119.914 -0.097 0.000 2.255 28 V HA -0.302 3.818 4.120 0.001 0.000 0.247 28 V C 2.603 178.675 176.094 -0.038 0.000 1.051 28 V CA 2.628 64.888 62.300 -0.067 0.000 1.018 28 V CB -0.730 31.040 31.823 -0.089 0.000 0.641 28 V HN 0.717 nan 8.190 nan 0.000 0.445 29 E N -0.025 120.143 120.200 -0.053 0.000 2.086 29 E HA -0.265 4.086 4.350 0.001 0.000 0.205 29 E C 2.084 178.643 176.600 -0.069 0.000 1.027 29 E CA 2.002 58.371 56.400 -0.052 0.000 0.830 29 E CB -0.510 29.159 29.700 -0.051 0.000 0.751 29 E HN 0.478 nan 8.360 nan 0.000 0.456 30 L N -0.883 120.269 121.223 -0.118 0.000 1.961 30 L HA -0.172 4.169 4.340 0.001 0.000 0.210 30 L C 2.321 179.085 176.870 -0.176 0.000 1.072 30 L CA 1.780 56.493 54.840 -0.211 0.000 0.749 30 L CB -0.413 41.393 42.059 -0.422 0.000 0.889 30 L HN 0.255 nan 8.230 nan 0.000 0.432 31 F N -0.049 119.802 119.950 -0.165 0.000 2.293 31 F HA -0.163 4.365 4.527 0.001 0.000 0.300 31 F C 1.028 176.764 175.800 -0.106 0.000 1.086 31 F CA 0.489 58.400 58.000 -0.149 0.000 1.375 31 F CB -0.158 38.701 39.000 -0.235 0.000 1.045 31 F HN 0.270 nan 8.300 nan 0.000 0.516 32 Q N -0.283 119.557 119.800 0.066 0.000 2.447 32 Q HA -0.189 4.151 4.340 0.001 0.000 0.348 32 Q C -2.527 173.471 176.000 -0.004 0.000 1.421 32 Q CA -0.346 55.464 55.803 0.012 0.000 0.978 32 Q CB -1.912 26.828 28.738 0.003 0.000 1.191 32 Q HN 0.206 nan 8.270 nan 0.000 0.371 33 P HA 0.016 nan 4.420 nan 0.000 0.277 33 P C 0.216 177.467 177.300 -0.082 0.000 1.240 33 P CA -0.056 62.990 63.100 -0.091 0.000 0.798 33 P CB 0.809 32.408 31.700 -0.169 0.000 0.979 34 E N 0.512 120.661 120.200 -0.085 0.000 2.153 34 E HA -0.002 4.349 4.350 0.001 0.000 0.194 34 E C 0.329 176.880 176.600 -0.082 0.000 0.988 34 E CA 0.879 57.236 56.400 -0.070 0.000 0.811 34 E CB 0.096 29.758 29.700 -0.063 0.000 0.746 34 E HN 0.577 nan 8.360 nan 0.000 0.466 35 A N -0.165 122.581 122.820 -0.123 0.000 2.589 35 A HA 0.489 4.809 4.320 0.001 0.000 0.296 35 A C -1.260 176.214 177.584 -0.182 0.000 1.062 35 A CA -0.712 51.249 52.037 -0.126 0.000 0.686 35 A CB 1.736 20.663 19.000 -0.122 0.000 1.282 35 A HN -0.043 nan 8.150 nan 0.000 0.404 36 V N 1.298 121.134 119.914 -0.129 0.000 2.417 36 V HA 0.644 4.764 4.120 0.001 0.000 0.291 36 V C -0.549 175.509 176.094 -0.060 0.000 1.024 36 V CA -0.547 61.666 62.300 -0.145 0.000 0.861 36 V CB 1.402 33.171 31.823 -0.090 0.000 0.985 36 V HN 0.721 nan 8.190 nan 0.000 0.436 37 V N 5.165 125.015 119.914 -0.108 0.000 2.488 37 V HA 0.427 4.548 4.120 0.001 0.000 0.293 37 V C -0.567 175.595 176.094 0.113 0.000 1.027 37 V CA -0.507 61.826 62.300 0.055 0.000 0.862 37 V CB 1.495 33.343 31.823 0.042 0.000 1.008 37 V HN 0.684 nan 8.190 nan 0.000 0.428 38 F N 3.299 123.274 119.950 0.041 0.000 2.495 38 F HA 0.333 4.860 4.527 0.001 0.000 0.365 38 F C 0.540 176.386 175.800 0.078 0.000 1.090 38 F CA 0.107 58.139 58.000 0.053 0.000 1.235 38 F CB 1.250 40.267 39.000 0.028 0.000 1.119 38 F HN 0.192 nan 8.300 nan 0.000 0.562 39 V N 4.104 124.148 119.914 0.216 0.000 2.407 39 V HA 0.056 4.176 4.120 0.001 0.000 0.278 39 V C 0.296 176.471 176.094 0.135 0.000 1.037 39 V CA -0.420 61.966 62.300 0.143 0.000 0.900 39 V CB 1.510 33.375 31.823 0.069 0.000 0.983 39 V HN 0.833 nan 8.190 nan 0.000 0.459 40 D N 2.694 123.158 120.400 0.106 0.000 2.289 40 D HA 0.145 4.786 4.640 0.001 0.000 0.207 40 D C 1.448 177.787 176.300 0.065 0.000 0.966 40 D CA 1.055 55.106 54.000 0.085 0.000 0.868 40 D CB 0.274 41.116 40.800 0.070 0.000 0.943 40 D HN 0.859 nan 8.370 nan 0.000 0.514 41 G N -0.118 108.717 108.800 0.058 0.000 2.195 41 G HA2 -0.288 3.673 3.960 0.001 0.000 0.246 41 G HA3 -0.288 3.673 3.960 0.001 0.000 0.246 41 G C 0.491 175.417 174.900 0.043 0.000 0.984 41 G CA 0.415 45.543 45.100 0.046 0.000 0.633 41 G HN 0.868 nan 8.290 nan 0.000 0.525 42 S N -0.263 115.468 115.700 0.052 0.000 2.600 42 S HA 0.518 4.988 4.470 0.001 0.000 0.265 42 S C 1.139 175.781 174.600 0.071 0.000 1.325 42 S CA 0.716 58.944 58.200 0.047 0.000 1.002 42 S CB 1.753 64.982 63.200 0.048 0.000 0.921 42 S HN 0.348 nan 8.310 nan 0.000 0.554 43 Q N 1.190 121.017 119.800 0.045 0.000 2.167 43 Q HA 0.050 4.390 4.340 0.001 0.000 0.202 43 Q C 2.126 178.213 176.000 0.145 0.000 0.970 43 Q CA 2.012 57.849 55.803 0.056 0.000 0.855 43 Q CB -1.017 27.720 28.738 -0.001 0.000 0.911 43 Q HN 0.923 nan 8.270 nan 0.000 0.438 44 A N 0.143 123.027 122.820 0.106 0.000 1.929 44 A HA -0.169 4.152 4.320 0.001 0.000 0.216 44 A C 2.012 179.663 177.584 0.112 0.000 1.176 44 A CA 1.486 53.586 52.037 0.105 0.000 0.628 44 A CB -0.620 18.422 19.000 0.070 0.000 0.816 44 A HN 0.573 nan 8.150 nan 0.000 0.444 45 E N -0.778 119.486 120.200 0.106 0.000 2.051 45 E HA -0.220 4.131 4.350 0.001 0.000 0.192 45 E C 1.892 178.544 176.600 0.087 0.000 0.991 45 E CA 1.323 57.772 56.400 0.082 0.000 0.799 45 E CB -0.377 29.364 29.700 0.068 0.000 0.748 45 E HN 0.782 nan 8.360 nan 0.000 0.449 46 W N 2.318 123.584 121.300 -0.058 0.000 2.317 46 W HA -0.240 4.421 4.660 0.001 0.000 0.318 46 W C 1.209 177.682 176.519 -0.076 0.000 1.227 46 W CA 2.104 59.398 57.345 -0.084 0.000 1.269 46 W CB -0.835 28.585 29.460 -0.066 0.000 1.155 46 W HN 0.111 nan 8.180 nan 0.000 0.484 47 D N 0.011 120.611 120.400 0.334 0.000 2.133 47 D HA -0.266 4.375 4.640 0.001 0.000 0.192 47 D C 2.280 178.578 176.300 -0.005 0.000 1.001 47 D CA 2.529 56.640 54.000 0.186 0.000 0.844 47 D CB -0.689 40.244 40.800 0.222 0.000 0.944 47 D HN 0.210 nan 8.370 nan 0.000 0.447 48 R N -0.445 120.056 120.500 0.002 0.000 2.148 48 R HA 0.021 4.362 4.340 0.001 0.000 0.227 48 R C 2.093 178.337 176.300 -0.094 0.000 1.103 48 R CA 0.768 56.857 56.100 -0.020 0.000 0.983 48 R CB 0.029 30.338 30.300 0.014 0.000 0.874 48 R HN 0.216 nan 8.270 nan 0.000 0.451 49 M N -0.971 118.512 119.600 -0.195 0.000 2.287 49 M HA 0.070 4.550 4.480 0.001 0.000 0.266 49 M C 2.330 178.408 176.300 -0.370 0.000 1.079 49 M CA 1.112 56.244 55.300 -0.279 0.000 1.146 49 M CB 0.075 32.453 32.600 -0.370 0.000 1.374 49 M HN 0.222 nan 8.290 nan 0.000 0.435 50 A N 0.571 123.067 122.820 -0.540 0.000 1.930 50 A HA -0.159 4.161 4.320 0.001 0.000 0.217 50 A C 1.889 179.314 177.584 -0.266 0.000 1.175 50 A CA 1.664 53.314 52.037 -0.645 0.000 0.627 50 A CB -0.588 17.762 19.000 -1.083 0.000 0.815 50 A HN 0.470 nan 8.150 nan 0.000 0.443 51 E N -0.106 120.016 120.200 -0.129 0.000 2.077 51 E HA -0.185 4.165 4.350 0.001 0.000 0.193 51 E C 1.457 178.044 176.600 -0.021 0.000 0.989 51 E CA 1.280 57.671 56.400 -0.016 0.000 0.800 51 E CB -0.119 29.590 29.700 0.014 0.000 0.746 51 E HN 0.528 nan 8.360 nan 0.000 0.452 52 D N 0.252 120.620 120.400 -0.053 0.000 2.117 52 D HA -0.137 4.504 4.640 0.001 0.000 0.197 52 D C 1.906 178.188 176.300 -0.031 0.000 0.987 52 D CA 0.889 54.869 54.000 -0.033 0.000 0.829 52 D CB -0.073 40.703 40.800 -0.040 0.000 0.961 52 D HN 0.174 nan 8.370 nan 0.000 0.460 53 L N -0.071 121.110 121.223 -0.070 0.000 2.209 53 L HA -0.047 4.294 4.340 0.001 0.000 0.207 53 L C 2.448 179.330 176.870 0.019 0.000 1.094 53 L CA 0.198 55.016 54.840 -0.038 0.000 0.790 53 L CB -0.119 41.893 42.059 -0.080 0.000 0.932 53 L HN -0.086 nan 8.230 nan 0.000 0.447 54 V N 0.303 120.236 119.914 0.030 0.000 2.287 54 V HA -0.328 3.792 4.120 0.001 0.000 0.248 54 V C 2.393 178.531 176.094 0.072 0.000 1.053 54 V CA 1.973 64.329 62.300 0.093 0.000 1.027 54 V CB -0.308 31.600 31.823 0.143 0.000 0.646 54 V HN 0.456 nan 8.190 nan 0.000 0.447 55 E N -0.079 120.151 120.200 0.050 0.000 2.051 55 E HA -0.190 4.161 4.350 0.001 0.000 0.192 55 E C 2.158 178.782 176.600 0.041 0.000 0.991 55 E CA 1.333 57.759 56.400 0.042 0.000 0.799 55 E CB -0.392 29.326 29.700 0.031 0.000 0.748 55 E HN 0.590 nan 8.360 nan 0.000 0.449 56 A N 0.072 122.913 122.820 0.035 0.000 2.259 56 A HA 0.016 4.337 4.320 0.001 0.000 0.212 56 A C 1.846 179.463 177.584 0.055 0.000 1.178 56 A CA 1.178 53.237 52.037 0.037 0.000 0.734 56 A CB -0.830 18.186 19.000 0.027 0.000 0.774 56 A HN 0.427 nan 8.150 nan 0.000 0.481 57 G N -2.353 106.487 108.800 0.066 0.000 2.189 57 G HA2 -0.347 3.614 3.960 0.001 0.000 0.267 57 G HA3 -0.347 3.614 3.960 0.001 0.000 0.267 57 G C 1.000 175.964 174.900 0.107 0.000 0.975 57 G CA 1.231 46.380 45.100 0.081 0.000 0.644 57 G HN 0.483 nan 8.290 nan 0.000 0.537 58 T N 0.097 114.717 114.554 0.110 0.000 2.708 58 T HA 0.175 4.525 4.350 0.001 0.000 0.266 58 T C 1.248 176.059 174.700 0.186 0.000 1.037 58 T CA 1.396 63.589 62.100 0.155 0.000 1.146 58 T CB 0.003 68.937 68.868 0.110 0.000 0.865 58 T HN 0.418 nan 8.240 nan 0.000 0.435 59 L N 0.197 121.521 121.223 0.168 0.000 2.319 59 L HA 0.603 4.943 4.340 0.001 0.000 0.267 59 L C -0.712 176.291 176.870 0.222 0.000 1.011 59 L CA -1.068 53.906 54.840 0.224 0.000 0.818 59 L CB 2.107 44.309 42.059 0.238 0.000 1.316 59 L HN 0.034 nan 8.230 nan 0.000 0.432 60 I N 1.356 122.075 120.570 0.248 0.000 2.433 60 I HA 0.325 4.495 4.170 0.001 0.000 0.292 60 I C -0.255 175.981 176.117 0.198 0.000 1.001 60 I CA -0.704 60.710 61.300 0.190 0.000 1.119 60 I CB 2.063 40.145 38.000 0.137 0.000 1.289 60 I HN 0.528 nan 8.210 nan 0.000 0.438 61 K N 6.301 126.774 120.400 0.122 0.000 2.249 61 K HA 0.500 4.820 4.320 0.001 0.000 0.280 61 K C -0.607 175.946 176.600 -0.078 0.000 1.033 61 K CA -0.424 55.804 56.287 -0.097 0.000 0.946 61 K CB 0.905 33.370 32.500 -0.059 0.000 1.005 61 K HN 0.511 nan 8.250 nan 0.000 0.469 62 L N 2.194 123.338 121.223 -0.132 0.000 2.488 62 L HA 0.176 4.517 4.340 0.001 0.000 0.249 62 L C 0.834 177.677 176.870 -0.044 0.000 1.151 62 L CA -0.916 53.897 54.840 -0.046 0.000 0.806 62 L CB 0.288 42.343 42.059 -0.007 0.000 1.261 62 L HN 0.728 nan 8.230 nan 0.000 0.484 63 N N 1.109 119.796 118.700 -0.020 0.000 2.434 63 N HA -0.102 4.639 4.740 0.001 0.000 0.268 63 N C 0.613 176.119 175.510 -0.007 0.000 1.256 63 N CA 0.455 53.499 53.050 -0.010 0.000 0.914 63 N CB 0.949 39.431 38.487 -0.007 0.000 1.088 63 N HN 0.563 nan 8.380 nan 0.000 0.478 64 E N 2.739 122.936 120.200 -0.005 0.000 2.204 64 E HA -0.178 4.172 4.350 0.001 0.000 0.195 64 E C 1.015 177.624 176.600 0.015 0.000 0.990 64 E CA 1.074 57.477 56.400 0.005 0.000 0.821 64 E CB 0.177 29.883 29.700 0.011 0.000 0.750 64 E HN 0.711 nan 8.360 nan 0.000 0.477 65 E N -0.609 119.598 120.200 0.012 0.000 2.427 65 E HA -0.062 4.289 4.350 0.001 0.000 0.196 65 E C 1.386 177.994 176.600 0.013 0.000 1.028 65 E CA 0.638 57.045 56.400 0.012 0.000 0.864 65 E CB 0.298 30.003 29.700 0.009 0.000 0.813 65 E HN 0.037 nan 8.360 nan 0.000 0.514 66 K N -0.840 119.568 120.400 0.014 0.000 2.403 66 K HA 0.239 4.560 4.320 0.001 0.000 0.199 66 K C -0.047 176.574 176.600 0.035 0.000 1.199 66 K CA 0.121 56.418 56.287 0.016 0.000 0.924 66 K CB 0.887 33.388 32.500 0.002 0.000 1.137 66 K HN -0.185 nan 8.250 nan 0.000 0.510 67 R N 1.575 122.100 120.500 0.041 0.000 2.721 67 R HA 0.270 4.610 4.340 0.001 0.000 0.272 67 R C -2.943 173.394 176.300 0.062 0.000 1.721 67 R CA -1.709 54.439 56.100 0.080 0.000 1.325 67 R CB 1.630 32.009 30.300 0.131 0.000 1.271 67 R HN -0.062 nan 8.270 nan 0.000 0.556 68 P HA -0.051 nan 4.420 nan 0.000 0.264 68 P C 0.124 177.464 177.300 0.067 0.000 1.193 68 P CA 0.328 63.458 63.100 0.049 0.000 0.763 68 P CB 0.481 32.211 31.700 0.050 0.000 0.810 69 N N 0.563 119.298 118.700 0.058 0.000 2.714 69 N HA -0.183 4.557 4.740 0.001 0.000 0.250 69 N C -1.029 174.607 175.510 0.210 0.000 1.117 69 N CA 1.093 54.244 53.050 0.168 0.000 0.719 69 N CB -1.371 37.240 38.487 0.207 0.000 1.081 69 N HN 0.278 nan 8.380 nan 0.000 0.557 70 S N -0.342 115.334 115.700 -0.041 0.000 2.621 70 S HA 0.785 5.256 4.470 0.001 0.000 0.302 70 S C -0.910 173.524 174.600 -0.276 0.000 1.093 70 S CA -0.486 57.778 58.200 0.106 0.000 1.017 70 S CB 1.394 64.781 63.200 0.312 0.000 1.077 70 S HN 0.267 nan 8.310 nan 0.000 0.517 71 Y N 0.231 120.760 120.300 0.382 0.000 2.534 71 Y HA 0.548 5.099 4.550 0.001 0.000 0.345 71 Y C -0.878 175.264 175.900 0.403 0.000 1.031 71 Y CA -1.016 57.273 58.100 0.315 0.000 1.022 71 Y CB 1.163 39.757 38.460 0.223 0.000 1.292 71 Y HN 0.464 nan 8.280 nan 0.000 0.459 72 L N 2.979 124.466 121.223 0.441 0.000 2.265 72 L HA 0.878 5.218 4.340 0.001 0.000 0.289 72 L C -0.366 176.704 176.870 0.332 0.000 1.033 72 L CA -0.595 54.469 54.840 0.373 0.000 0.814 72 L CB 0.395 42.592 42.059 0.230 0.000 1.203 72 L HN 0.717 nan 8.230 nan 0.000 0.423 73 A N 6.331 129.357 122.820 0.343 0.000 2.306 73 A HA 0.821 5.141 4.320 0.001 0.000 0.314 73 A C -0.402 177.248 177.584 0.110 0.000 1.164 73 A CA -0.670 51.511 52.037 0.241 0.000 0.822 73 A CB 0.517 19.672 19.000 0.258 0.000 1.130 73 A HN 0.710 nan 8.150 nan 0.000 0.496 74 R N 1.975 122.492 120.500 0.029 0.000 2.476 74 R HA 0.459 4.800 4.340 0.001 0.000 0.305 74 R C -0.457 175.640 176.300 -0.339 0.000 0.965 74 R CA -0.323 55.748 56.100 -0.047 0.000 0.867 74 R CB 1.814 32.146 30.300 0.053 0.000 1.176 74 R HN 0.851 nan 8.270 nan 0.000 0.447 75 S N 1.883 117.194 115.700 -0.649 0.000 2.646 75 S HA 0.182 4.653 4.470 0.001 0.000 0.276 75 S C 0.263 174.566 174.600 -0.494 0.000 1.222 75 S CA -0.873 56.522 58.200 -1.342 0.000 1.014 75 S CB 1.349 63.541 63.200 -1.680 0.000 0.991 75 S HN 0.565 nan 8.310 nan 0.000 0.533 76 N N 1.977 120.404 118.700 -0.455 0.000 2.440 76 N HA 0.170 4.910 4.740 0.001 0.000 0.265 76 N C -1.687 173.794 175.510 -0.048 0.000 1.239 76 N CA -1.629 51.368 53.050 -0.088 0.000 0.909 76 N CB 0.579 39.128 38.487 0.104 0.000 1.066 76 N HN 0.310 nan 8.380 nan 0.000 0.474 77 P HA -0.209 nan 4.420 nan 0.000 0.222 77 P C 0.845 178.182 177.300 0.062 0.000 1.154 77 P CA 1.745 64.943 63.100 0.163 0.000 0.874 77 P CB 0.137 31.880 31.700 0.071 0.000 0.787 78 S N -1.235 114.486 115.700 0.035 0.000 2.447 78 S HA -0.110 4.361 4.470 0.001 0.000 0.233 78 S C 0.917 175.522 174.600 0.008 0.000 1.006 78 S CA 1.215 59.433 58.200 0.030 0.000 0.957 78 S CB -0.735 62.496 63.200 0.052 0.000 0.773 78 S HN 0.361 nan 8.310 nan 0.000 0.507 79 D N 0.882 121.280 120.400 -0.004 0.000 2.683 79 D HA 0.224 4.864 4.640 0.001 0.000 0.309 79 D C 0.139 176.243 176.300 -0.328 0.000 1.238 79 D CA -0.524 53.455 54.000 -0.035 0.000 0.936 79 D CB 0.359 41.253 40.800 0.157 0.000 1.001 79 D HN 0.052 nan 8.370 nan 0.000 0.505 80 V N 0.389 120.017 119.914 -0.476 0.000 3.621 80 V HA 0.570 4.691 4.120 0.001 0.000 0.285 80 V C 0.899 176.264 176.094 -1.216 0.000 1.346 80 V CA 0.987 62.717 62.300 -0.950 0.000 1.104 80 V CB -0.374 30.942 31.823 -0.845 0.000 0.913 80 V HN 0.782 nan 8.190 nan 0.000 0.432 81 A N -1.503 120.884 122.820 -0.723 0.000 4.047 81 A HA 0.712 5.033 4.320 0.001 0.000 0.273 81 A C 0.176 177.740 177.584 -0.032 0.000 1.016 81 A CA 0.022 51.884 52.037 -0.291 0.000 0.565 81 A CB 0.624 19.551 19.000 -0.122 0.000 1.701 81 A HN -0.091 nan 8.150 nan 0.000 0.814 82 R N -2.489 118.038 120.500 0.045 0.000 4.122 82 R HA -0.214 4.126 4.340 0.001 0.000 0.238 82 R C 1.010 177.332 176.300 0.037 0.000 0.241 82 R CA 2.829 58.944 56.100 0.024 0.000 0.858 82 R CB -2.451 27.838 30.300 -0.018 0.000 1.064 82 R HN 2.540 nan 8.270 nan 0.000 0.528 83 V N -1.837 118.082 119.914 0.008 0.000 4.253 83 V HA -0.293 3.827 4.120 0.001 0.000 0.233 83 V C 1.338 177.413 176.094 -0.031 0.000 0.511 83 V CA 2.656 64.953 62.300 -0.006 0.000 0.872 83 V CB -1.803 30.028 31.823 0.014 0.000 0.899 83 V HN 0.742 nan 8.190 nan 0.000 1.196 84 E N 0.674 120.846 120.200 -0.046 0.000 2.130 84 E HA -0.227 4.123 4.350 0.001 0.000 0.196 84 E C 2.175 178.689 176.600 -0.144 0.000 0.998 84 E CA 1.478 57.823 56.400 -0.092 0.000 0.806 84 E CB -0.241 29.405 29.700 -0.090 0.000 0.738 84 E HN 0.850 nan 8.360 nan 0.000 0.459 85 S N -0.222 115.408 115.700 -0.117 0.000 2.441 85 S HA -0.142 4.329 4.470 0.001 0.000 0.242 85 S C 1.150 175.614 174.600 -0.227 0.000 1.018 85 S CA 1.015 59.133 58.200 -0.136 0.000 0.988 85 S CB 0.088 63.244 63.200 -0.072 0.000 0.778 85 S HN 0.062 nan 8.310 nan 0.000 0.498 86 R N 1.056 121.419 120.500 -0.228 0.000 2.661 86 R HA 0.271 4.612 4.340 0.001 0.000 0.429 86 R C -1.036 175.153 176.300 -0.185 0.000 1.044 86 R CA -0.031 55.952 56.100 -0.195 0.000 1.065 86 R CB 0.478 30.774 30.300 -0.007 0.000 1.377 86 R HN 0.121 nan 8.270 nan 0.000 0.600 87 T N 0.928 115.217 114.554 -0.442 0.000 2.809 87 T HA 0.593 4.943 4.350 0.001 0.000 0.284 87 T C -0.747 173.698 174.700 -0.425 0.000 0.992 87 T CA -0.152 61.830 62.100 -0.197 0.000 0.957 87 T CB 0.959 69.778 68.868 -0.082 0.000 0.942 87 T HN -0.046 nan 8.240 nan 0.000 0.439 88 F N 2.751 122.697 119.950 -0.007 0.000 2.529 88 F HA 0.589 5.117 4.527 0.001 0.000 0.320 88 F C -0.023 175.713 175.800 -0.106 0.000 1.118 88 F CA -1.390 56.574 58.000 -0.060 0.000 0.915 88 F CB 1.520 40.444 39.000 -0.126 0.000 1.161 88 F HN 0.476 nan 8.300 nan 0.000 0.445 89 I N 2.277 122.922 120.570 0.124 0.000 2.330 89 I HA 0.433 4.604 4.170 0.001 0.000 0.286 89 I C -0.905 175.277 176.117 0.107 0.000 1.025 89 I CA -0.195 61.152 61.300 0.079 0.000 1.197 89 I CB 0.637 38.695 38.000 0.097 0.000 1.358 89 I HN 0.553 nan 8.210 nan 0.000 0.467 90 C N 6.462 125.709 119.300 -0.088 0.000 2.700 90 C HA 0.416 4.876 4.460 0.001 0.000 0.529 90 C C 0.886 175.943 174.990 0.112 0.000 1.093 90 C CA -0.404 58.534 59.018 -0.133 0.000 1.320 90 C CB -2.511 25.030 27.740 -0.332 0.000 1.478 90 C HN 0.851 nan 8.230 nan 0.000 0.598 91 S N 0.107 115.988 115.700 0.301 0.000 2.601 91 S HA 0.229 4.700 4.470 0.001 0.000 0.271 91 S C 0.829 175.679 174.600 0.416 0.000 1.305 91 S CA -0.574 57.808 58.200 0.303 0.000 1.022 91 S CB 1.334 64.700 63.200 0.278 0.000 0.940 91 S HN 0.658 nan 8.310 nan 0.000 0.525 92 E N 0.962 121.319 120.200 0.263 0.000 2.097 92 E HA -0.156 4.195 4.350 0.001 0.000 0.196 92 E C -0.109 176.691 176.600 0.334 0.000 1.000 92 E CA 1.374 57.930 56.400 0.260 0.000 0.804 92 E CB 0.014 29.796 29.700 0.136 0.000 0.740 92 E HN 0.502 nan 8.360 nan 0.000 0.454 93 K N 0.136 120.652 120.400 0.194 0.000 2.206 93 K HA 0.049 4.370 4.320 0.001 0.000 0.264 93 K C 0.341 176.799 176.600 -0.237 0.000 0.967 93 K CA -0.224 56.055 56.287 -0.013 0.000 0.844 93 K CB 1.571 34.044 32.500 -0.045 0.000 1.099 93 K HN -0.060 nan 8.250 nan 0.000 0.441 94 E N 1.983 121.715 120.200 -0.780 0.000 2.347 94 E HA -0.189 4.161 4.350 0.001 0.000 0.196 94 E C 0.334 176.545 176.600 -0.648 0.000 1.008 94 E CA 1.334 56.821 56.400 -1.521 0.000 0.852 94 E CB 0.015 28.539 29.700 -1.959 0.000 0.783 94 E HN 0.652 nan 8.360 nan 0.000 0.505 95 E N -0.103 119.876 120.200 -0.368 0.000 2.472 95 E HA 0.059 4.409 4.350 0.001 0.000 0.196 95 E C 0.778 177.313 176.600 -0.109 0.000 1.033 95 E CA 0.370 56.640 56.400 -0.217 0.000 0.886 95 E CB 0.062 29.656 29.700 -0.177 0.000 0.944 95 E HN 0.109 nan 8.360 nan 0.000 0.492 96 D N 0.940 121.295 120.400 -0.076 0.000 2.277 96 D HA 0.055 4.695 4.640 0.001 0.000 0.208 96 D C 1.630 177.978 176.300 0.079 0.000 0.962 96 D CA 1.119 55.139 54.000 0.033 0.000 0.865 96 D CB 0.217 41.051 40.800 0.057 0.000 0.939 96 D HN 0.338 nan 8.370 nan 0.000 0.510 97 A N 0.274 123.116 122.820 0.036 0.000 1.887 97 A HA 0.448 4.768 4.320 0.001 0.000 0.212 97 A C 1.416 178.997 177.584 -0.005 0.000 1.198 97 A CA 1.309 53.403 52.037 0.095 0.000 0.628 97 A CB -0.442 18.709 19.000 0.251 0.000 0.847 97 A HN 0.307 nan 8.150 nan 0.000 0.449 98 G N -0.890 107.860 108.800 -0.083 0.000 2.782 98 G HA2 -0.165 3.796 3.960 0.001 0.000 0.228 98 G HA3 -0.165 3.796 3.960 0.001 0.000 0.228 98 G C -1.386 173.422 174.900 -0.153 0.000 1.372 98 G CA -0.053 44.966 45.100 -0.135 0.000 0.862 98 G HN 0.349 nan 8.290 nan 0.000 0.547 99 P HA 0.019 nan 4.420 nan 0.000 0.241 99 P C 1.388 178.570 177.300 -0.197 0.000 1.191 99 P CA 2.069 64.984 63.100 -0.309 0.000 0.771 99 P CB 0.037 31.326 31.700 -0.685 0.000 0.929 100 T N -4.294 110.162 114.554 -0.162 0.000 3.105 100 T HA 0.211 4.562 4.350 0.001 0.000 0.253 100 T C 0.396 175.070 174.700 -0.044 0.000 1.047 100 T CA -0.375 61.704 62.100 -0.034 0.000 0.944 100 T CB -0.719 68.119 68.868 -0.051 0.000 1.016 100 T HN 0.030 nan 8.240 nan 0.000 0.544 101 N N 0.704 119.381 118.700 -0.038 0.000 2.265 101 N HA 0.411 5.152 4.740 0.001 0.000 0.300 101 N C -1.332 174.195 175.510 0.028 0.000 1.148 101 N CA -0.978 52.062 53.050 -0.017 0.000 0.772 101 N CB 1.444 39.935 38.487 0.007 0.000 1.434 101 N HN 0.220 nan 8.380 nan 0.000 0.481 102 N N 0.254 118.950 118.700 -0.006 0.000 2.530 102 N HA 0.273 5.014 4.740 0.001 0.000 0.273 102 N C -1.468 174.178 175.510 0.226 0.000 1.173 102 N CA -0.074 52.988 53.050 0.020 0.000 0.967 102 N CB 1.170 39.487 38.487 -0.283 0.000 1.109 102 N HN 0.430 nan 8.380 nan 0.000 0.453 103 W N 1.657 123.051 121.300 0.157 0.000 3.032 103 W HA 0.699 5.359 4.660 0.001 0.000 0.335 103 W C -1.703 174.982 176.519 0.276 0.000 1.154 103 W CA -0.457 57.008 57.345 0.200 0.000 1.204 103 W CB 1.262 30.774 29.460 0.086 0.000 1.416 103 W HN 0.516 nan 8.180 nan 0.000 0.521 104 A N 5.174 127.475 122.820 -0.866 0.000 2.589 104 A HA 0.714 5.035 4.320 0.001 0.000 0.296 104 A C -3.036 173.670 177.584 -1.464 0.000 1.062 104 A CA -1.471 49.947 52.037 -1.031 0.000 0.686 104 A CB 1.503 20.133 19.000 -0.616 0.000 1.282 104 A HN 0.326 nan 8.150 nan 0.000 0.404 105 P HA 0.228 nan 4.420 nan 0.000 0.271 105 P C -1.850 175.214 177.300 -0.393 0.000 1.220 105 P CA -0.907 61.756 63.100 -0.729 0.000 0.768 105 P CB 0.511 32.014 31.700 -0.328 0.000 0.848 106 P HA -0.294 nan 4.420 nan 0.000 0.218 106 P C 1.534 178.766 177.300 -0.113 0.000 1.165 106 P CA 1.691 64.780 63.100 -0.018 0.000 0.922 106 P CB 0.019 31.737 31.700 0.030 0.000 0.794 107 Q N -0.401 119.316 119.800 -0.138 0.000 2.046 107 Q HA -0.047 4.294 4.340 0.001 0.000 0.200 107 Q C 2.219 178.130 176.000 -0.149 0.000 0.975 107 Q CA 2.101 57.812 55.803 -0.153 0.000 0.836 107 Q CB -1.503 27.174 28.738 -0.103 0.000 0.896 107 Q HN 0.142 nan 8.270 nan 0.000 0.428 108 A N -0.101 122.630 122.820 -0.148 0.000 1.948 108 A HA -0.244 4.076 4.320 0.001 0.000 0.220 108 A C 2.070 179.531 177.584 -0.205 0.000 1.177 108 A CA 2.078 54.018 52.037 -0.161 0.000 0.636 108 A CB -0.573 18.325 19.000 -0.170 0.000 0.815 108 A HN 0.460 nan 8.150 nan 0.000 0.449 109 M N -0.234 119.224 119.600 -0.237 0.000 2.132 109 M HA -0.057 4.423 4.480 0.001 0.000 0.263 109 M C 1.920 178.120 176.300 -0.166 0.000 1.065 109 M CA 1.681 56.822 55.300 -0.265 0.000 1.122 109 M CB -0.369 32.047 32.600 -0.307 0.000 1.365 109 M HN 0.400 nan 8.290 nan 0.000 0.411 110 K N -0.098 120.204 120.400 -0.164 0.000 2.074 110 K HA -0.197 4.123 4.320 0.001 0.000 0.209 110 K C 1.550 178.159 176.600 0.014 0.000 1.048 110 K CA 1.611 57.826 56.287 -0.119 0.000 0.926 110 K CB -0.549 31.758 32.500 -0.321 0.000 0.713 110 K HN 0.385 nan 8.250 nan 0.000 0.444 111 D N 0.760 121.119 120.400 -0.068 0.000 2.097 111 D HA -0.163 4.477 4.640 0.001 0.000 0.197 111 D C 1.927 178.163 176.300 -0.106 0.000 0.984 111 D CA 1.089 55.048 54.000 -0.069 0.000 0.826 111 D CB -0.202 40.551 40.800 -0.078 0.000 0.973 111 D HN 0.190 nan 8.370 nan 0.000 0.460 112 E N 1.102 121.208 120.200 -0.156 0.000 2.021 112 E HA -0.181 4.169 4.350 0.001 0.000 0.200 112 E C 2.186 178.670 176.600 -0.192 0.000 1.015 112 E CA 1.328 57.617 56.400 -0.185 0.000 0.824 112 E CB -0.350 29.163 29.700 -0.312 0.000 0.762 112 E HN 0.205 nan 8.360 nan 0.000 0.454 113 M N 0.058 119.475 119.600 -0.306 0.000 2.108 113 M HA -0.141 4.339 4.480 0.001 0.000 0.261 113 M C 2.330 178.419 176.300 -0.350 0.000 1.066 113 M CA 1.768 56.819 55.300 -0.415 0.000 1.107 113 M CB -0.391 32.032 32.600 -0.294 0.000 1.356 113 M HN 0.032 nan 8.290 nan 0.000 0.406 114 S N 0.960 116.609 115.700 -0.086 0.000 2.442 114 S HA -0.150 4.321 4.470 0.001 0.000 0.236 114 S C 1.740 176.261 174.600 -0.132 0.000 1.007 114 S CA 1.508 59.678 58.200 -0.051 0.000 0.965 114 S CB -0.473 62.733 63.200 0.011 0.000 0.773 114 S HN 0.529 nan 8.310 nan 0.000 0.504 115 K N 1.454 121.752 120.400 -0.170 0.000 2.097 115 K HA -0.121 4.200 4.320 0.001 0.000 0.205 115 K C 1.684 178.078 176.600 -0.343 0.000 1.050 115 K CA 1.465 57.609 56.287 -0.237 0.000 0.938 115 K CB -0.371 31.981 32.500 -0.248 0.000 0.718 115 K HN 0.437 nan 8.250 nan 0.000 0.442 116 H N -1.294 117.567 119.070 -0.348 0.000 2.482 116 H HA -0.037 4.520 4.556 0.001 0.000 0.286 116 H C 1.366 176.514 175.328 -0.299 0.000 1.017 116 H CA 1.047 56.804 56.048 -0.485 0.000 1.322 116 H CB 0.142 29.232 29.762 -1.121 0.000 1.426 116 H HN 0.243 nan 8.280 nan 0.000 0.546 117 Y N 1.204 121.366 120.300 -0.230 0.000 2.365 117 Y HA 0.220 4.770 4.550 0.001 0.000 0.293 117 Y C 1.558 177.259 175.900 -0.332 0.000 1.119 117 Y CA -0.348 57.571 58.100 -0.301 0.000 1.203 117 Y CB -0.415 37.624 38.460 -0.703 0.000 1.026 117 Y HN -0.019 nan 8.280 nan 0.000 0.549 118 A N 0.688 123.444 122.820 -0.108 0.000 2.540 118 A HA 0.297 4.618 4.320 0.001 0.000 0.268 118 A C 1.691 179.256 177.584 -0.032 0.000 1.061 118 A CA 1.136 53.110 52.037 -0.106 0.000 0.821 118 A CB -1.381 17.560 19.000 -0.098 0.000 0.970 118 A HN 0.944 nan 8.150 nan 0.000 0.524 119 G N 1.889 110.680 108.800 -0.016 0.000 2.155 119 G HA2 -0.296 3.664 3.960 0.001 0.000 0.257 119 G HA3 -0.296 3.664 3.960 0.001 0.000 0.257 119 G C 1.092 176.051 174.900 0.099 0.000 0.983 119 G CA 1.103 46.225 45.100 0.037 0.000 0.676 119 G HN 2.006 nan 8.290 nan 0.000 0.528 120 S N -0.880 114.934 115.700 0.191 0.000 2.515 120 S HA 0.220 4.691 4.470 0.001 0.000 0.231 120 S C 1.894 176.594 174.600 0.167 0.000 0.987 120 S CA 1.227 59.575 58.200 0.246 0.000 0.936 120 S CB -0.095 63.358 63.200 0.420 0.000 0.766 120 S HN 0.494 nan 8.310 nan 0.000 0.528 121 M N 0.707 120.395 119.600 0.147 0.000 2.383 121 M HA 0.261 4.741 4.480 0.001 0.000 0.247 121 M C 0.498 176.793 176.300 -0.009 0.000 1.117 121 M CA -0.116 55.194 55.300 0.017 0.000 0.995 121 M CB 0.086 32.637 32.600 -0.082 0.000 1.480 121 M HN 0.139 nan 8.290 nan 0.000 0.485 122 K N 1.275 121.687 120.400 0.021 0.000 2.530 122 K HA 0.015 4.335 4.320 0.001 0.000 0.280 122 K C 1.131 177.726 176.600 -0.008 0.000 1.004 122 K CA 1.238 57.527 56.287 0.004 0.000 1.071 122 K CB 0.164 32.673 32.500 0.017 0.000 0.876 122 K HN 0.480 nan 8.250 nan 0.000 0.487 123 G N 3.347 112.135 108.800 -0.020 0.000 2.189 123 G HA2 -0.300 3.661 3.960 0.001 0.000 0.267 123 G HA3 -0.300 3.661 3.960 0.001 0.000 0.267 123 G C -0.160 174.715 174.900 -0.042 0.000 0.975 123 G CA 0.608 45.694 45.100 -0.024 0.000 0.644 123 G HN 0.645 nan 8.290 nan 0.000 0.537 124 R N -0.575 119.885 120.500 -0.066 0.000 2.888 124 R HA 0.613 4.954 4.340 0.001 0.000 0.266 124 R C -0.728 175.467 176.300 -0.176 0.000 1.020 124 R CA -0.591 55.449 56.100 -0.101 0.000 0.963 124 R CB 0.934 31.177 30.300 -0.095 0.000 1.197 124 R HN 0.105 nan 8.270 nan 0.000 0.481 125 T N 2.026 116.422 114.554 -0.262 0.000 2.817 125 T HA 0.205 4.556 4.350 0.001 0.000 0.293 125 T C 0.262 174.596 174.700 -0.609 0.000 0.964 125 T CA -0.285 61.531 62.100 -0.474 0.000 1.085 125 T CB 0.637 69.106 68.868 -0.664 0.000 0.921 125 T HN 0.347 nan 8.240 nan 0.000 0.502 126 M N 4.747 124.034 119.600 -0.521 0.000 2.143 126 M HA 0.312 4.792 4.480 0.001 0.000 0.348 126 M C -1.441 174.520 176.300 -0.565 0.000 1.375 126 M CA -0.419 54.583 55.300 -0.497 0.000 1.124 126 M CB 0.047 32.396 32.600 -0.418 0.000 1.669 126 M HN 0.597 nan 8.290 nan 0.000 0.469 127 Y N 3.681 123.857 120.300 -0.207 0.000 2.308 127 Y HA 0.457 5.007 4.550 0.001 0.000 0.329 127 Y C -0.135 175.627 175.900 -0.230 0.000 1.111 127 Y CA -0.852 57.141 58.100 -0.178 0.000 1.179 127 Y CB 1.242 39.629 38.460 -0.122 0.000 1.201 127 Y HN 0.322 nan 8.280 nan 0.000 0.483 128 V N 4.621 124.463 119.914 -0.120 0.000 2.334 128 V HA 0.289 4.409 4.120 0.001 0.000 0.281 128 V C -0.630 175.414 176.094 -0.082 0.000 1.016 128 V CA -0.806 61.331 62.300 -0.271 0.000 0.832 128 V CB 1.112 32.432 31.823 -0.838 0.000 0.999 128 V HN 0.516 nan 8.190 nan 0.000 0.439 129 V N 7.700 127.633 119.914 0.032 0.000 2.266 129 V HA 0.333 4.454 4.120 0.001 0.000 0.271 129 V C -2.450 173.780 176.094 0.227 0.000 1.032 129 V CA -1.873 60.493 62.300 0.111 0.000 0.806 129 V CB 1.386 33.252 31.823 0.071 0.000 1.052 129 V HN 0.691 nan 8.190 nan 0.000 0.449 130 P HA 0.419 nan 4.420 nan 0.000 0.275 130 P C -0.798 176.667 177.300 0.275 0.000 1.227 130 P CA 0.041 63.228 63.100 0.144 0.000 0.781 130 P CB 0.417 32.172 31.700 0.092 0.000 0.906 131 F N 0.599 120.575 119.950 0.044 0.000 2.668 131 F HA 0.665 5.192 4.527 0.001 0.000 0.309 131 F C -1.799 174.029 175.800 0.046 0.000 1.117 131 F CA -1.204 56.819 58.000 0.038 0.000 0.951 131 F CB 0.673 39.689 39.000 0.028 0.000 1.323 131 F HN 0.373 nan 8.300 nan 0.000 0.451 132 C N 4.660 124.079 119.300 0.198 0.000 2.408 132 C HA 0.711 5.171 4.460 0.001 0.000 0.321 132 C C -0.559 174.474 174.990 0.072 0.000 1.245 132 C CA -0.699 58.359 59.018 0.067 0.000 1.523 132 C CB 0.985 28.747 27.740 0.037 0.000 2.178 132 C HN 0.815 nan 8.230 nan 0.000 0.488 133 M N 5.944 125.532 119.600 -0.021 0.000 2.589 133 M HA 0.458 4.938 4.480 0.001 0.000 0.340 133 M C 0.619 176.787 176.300 -0.220 0.000 1.308 133 M CA 0.489 55.684 55.300 -0.175 0.000 1.332 133 M CB -0.456 31.974 32.600 -0.283 0.000 1.219 133 M HN 1.160 nan 8.290 nan 0.000 0.467 134 G N 4.141 112.836 108.800 -0.176 0.000 2.331 134 G HA2 0.003 3.964 3.960 0.001 0.000 0.402 134 G HA3 0.003 3.964 3.960 0.001 0.000 0.402 134 G C -3.393 171.474 174.900 -0.055 0.000 1.275 134 G CA -1.323 43.687 45.100 -0.149 0.000 1.003 134 G HN 0.287 nan 8.290 nan 0.000 0.500 135 P HA 0.156 nan 4.420 nan 0.000 0.260 135 P C 1.134 178.439 177.300 0.008 0.000 1.172 135 P CA 0.142 63.233 63.100 -0.015 0.000 0.760 135 P CB 0.480 32.195 31.700 0.025 0.000 0.773 136 I N 3.410 123.973 120.570 -0.011 0.000 3.176 136 I HA -0.174 3.996 4.170 0.001 0.000 0.275 136 I C 1.454 177.556 176.117 -0.024 0.000 1.298 136 I CA 1.369 62.661 61.300 -0.012 0.000 1.445 136 I CB -0.048 37.944 38.000 -0.013 0.000 1.075 136 I HN 0.252 nan 8.210 nan 0.000 0.482 137 S N -1.199 114.500 115.700 -0.002 0.000 2.593 137 S HA 0.013 4.484 4.470 0.001 0.000 0.217 137 S C 0.850 175.321 174.600 -0.215 0.000 0.966 137 S CA -0.337 57.846 58.200 -0.029 0.000 0.914 137 S CB -0.583 62.684 63.200 0.112 0.000 0.776 137 S HN 0.478 nan 8.310 nan 0.000 0.523 138 D N 3.250 123.572 120.400 -0.130 0.000 2.348 138 D HA 0.215 4.856 4.640 0.001 0.000 0.253 138 D C -1.325 174.795 176.300 -0.300 0.000 1.161 138 D CA -1.989 51.880 54.000 -0.219 0.000 0.876 138 D CB 1.702 42.516 40.800 0.022 0.000 1.160 138 D HN 0.063 nan 8.370 nan 0.000 0.459 139 P HA -0.041 nan 4.420 nan 0.000 0.218 139 P C -0.012 177.176 177.300 -0.188 0.000 1.149 139 P CA 0.826 63.720 63.100 -0.343 0.000 0.817 139 P CB 0.480 31.914 31.700 -0.443 0.000 0.785 140 D N 0.007 120.322 120.400 -0.142 0.000 2.378 140 D HA 0.303 4.944 4.640 0.001 0.000 0.265 140 D C -2.617 173.669 176.300 -0.022 0.000 1.229 140 D CA -1.871 52.089 54.000 -0.066 0.000 0.914 140 D CB 1.047 41.813 40.800 -0.056 0.000 1.140 140 D HN 0.040 nan 8.370 nan 0.000 0.516 141 P HA 0.292 nan 4.420 nan 0.000 0.284 141 P C -0.434 176.927 177.300 0.102 0.000 1.258 141 P CA -0.741 62.387 63.100 0.046 0.000 0.824 141 P CB 1.009 32.722 31.700 0.022 0.000 1.038 142 K N 2.361 122.876 120.400 0.192 0.000 2.297 142 K HA 0.363 4.684 4.320 0.001 0.000 0.286 142 K C -0.052 176.654 176.600 0.177 0.000 1.053 142 K CA -0.056 56.396 56.287 0.274 0.000 0.940 142 K CB 0.214 33.018 32.500 0.506 0.000 1.019 142 K HN 0.475 nan 8.250 nan 0.000 0.475 143 L N 0.596 121.922 121.223 0.171 0.000 2.303 143 L HA 0.741 5.082 4.340 0.001 0.000 0.266 143 L C 0.610 177.479 176.870 -0.001 0.000 1.011 143 L CA -0.880 53.974 54.840 0.024 0.000 0.818 143 L CB 2.244 44.330 42.059 0.044 0.000 1.326 143 L HN 0.704 nan 8.230 nan 0.000 0.435 144 G N -0.101 108.402 108.800 -0.494 0.000 2.677 144 G HA2 0.654 4.615 3.960 0.001 0.000 0.291 144 G HA3 0.654 4.615 3.960 0.001 0.000 0.291 144 G C -2.089 172.418 174.900 -0.655 0.000 1.435 144 G CA -0.411 44.298 45.100 -0.653 0.000 0.826 144 G HN 0.293 nan 8.290 nan 0.000 0.491 145 V N 0.367 120.199 119.914 -0.136 0.000 2.623 145 V HA 0.562 4.682 4.120 0.001 0.000 0.304 145 V C -0.395 175.979 176.094 0.466 0.000 1.054 145 V CA -0.658 61.710 62.300 0.113 0.000 0.882 145 V CB 1.593 33.299 31.823 -0.194 0.000 1.002 145 V HN 0.894 nan 8.190 nan 0.000 0.424 146 Q N 4.314 124.423 119.800 0.515 0.000 2.316 146 Q HA 0.718 5.058 4.340 0.001 0.000 0.264 146 Q C -1.696 174.433 176.000 0.215 0.000 0.987 146 Q CA -0.670 55.384 55.803 0.418 0.000 0.852 146 Q CB 1.891 30.820 28.738 0.318 0.000 1.287 146 Q HN 0.745 nan 8.270 nan 0.000 0.448 147 L N 3.007 124.292 121.223 0.102 0.000 2.282 147 L HA 0.624 4.964 4.340 0.001 0.000 0.288 147 L C -0.080 176.700 176.870 -0.149 0.000 1.033 147 L CA -0.553 54.187 54.840 -0.168 0.000 0.807 147 L CB 1.754 43.532 42.059 -0.469 0.000 1.209 147 L HN 0.680 nan 8.230 nan 0.000 0.423 148 T N -0.530 113.957 114.554 -0.110 0.000 2.868 148 T HA 0.311 4.662 4.350 0.001 0.000 0.306 148 T C -0.747 173.927 174.700 -0.042 0.000 1.224 148 T CA -0.584 61.525 62.100 0.014 0.000 1.012 148 T CB 1.697 70.696 68.868 0.219 0.000 1.221 148 T HN 0.730 nan 8.240 nan 0.000 0.499 149 D N 0.873 121.229 120.400 -0.072 0.000 2.501 149 D HA 0.268 4.909 4.640 0.001 0.000 0.226 149 D C 0.156 176.496 176.300 0.068 0.000 1.198 149 D CA -0.289 53.673 54.000 -0.063 0.000 0.830 149 D CB 0.271 40.964 40.800 -0.179 0.000 1.014 149 D HN 0.278 nan 8.370 nan 0.000 0.496 150 S N -0.103 115.679 115.700 0.137 0.000 2.530 150 S HA 0.236 4.707 4.470 0.001 0.000 0.322 150 S C 0.522 175.117 174.600 -0.007 0.000 1.085 150 S CA -0.615 57.624 58.200 0.066 0.000 1.096 150 S CB 1.348 64.590 63.200 0.071 0.000 0.988 150 S HN 0.076 nan 8.310 nan 0.000 0.466 151 E N 2.926 123.075 120.200 -0.085 0.000 2.427 151 E HA -0.056 4.294 4.350 0.001 0.000 0.196 151 E C 0.695 177.156 176.600 -0.233 0.000 1.028 151 E CA 0.481 56.687 56.400 -0.323 0.000 0.864 151 E CB 0.024 29.544 29.700 -0.299 0.000 0.813 151 E HN 0.900 nan 8.360 nan 0.000 0.514 152 Y N 0.508 120.665 120.300 -0.239 0.000 2.269 152 Y HA -0.150 4.400 4.550 0.001 0.000 0.294 152 Y C 1.960 177.749 175.900 -0.184 0.000 1.120 152 Y CA 0.758 58.736 58.100 -0.203 0.000 1.159 152 Y CB -0.070 38.301 38.460 -0.149 0.000 1.024 152 Y HN -0.199 nan 8.280 nan 0.000 0.532 153 V N -0.038 119.788 119.914 -0.148 0.000 2.231 153 V HA -0.378 3.743 4.120 0.001 0.000 0.248 153 V C 2.364 178.277 176.094 -0.301 0.000 1.054 153 V CA 2.119 64.269 62.300 -0.250 0.000 1.015 153 V CB -1.162 30.566 31.823 -0.157 0.000 0.638 153 V HN 0.390 nan 8.190 nan 0.000 0.444 154 V N -0.645 119.110 119.914 -0.266 0.000 2.250 154 V HA -0.426 3.694 4.120 0.001 0.000 0.250 154 V C 2.389 178.342 176.094 -0.235 0.000 1.060 154 V CA 2.773 64.914 62.300 -0.265 0.000 1.030 154 V CB -0.717 30.885 31.823 -0.367 0.000 0.643 154 V HN 0.459 nan 8.190 nan 0.000 0.445 155 M N -0.124 119.298 119.600 -0.296 0.000 2.073 155 M HA -0.234 4.246 4.480 0.001 0.000 0.258 155 M C 2.464 178.707 176.300 -0.095 0.000 1.070 155 M CA 2.451 57.610 55.300 -0.235 0.000 1.103 155 M CB -0.559 31.715 32.600 -0.543 0.000 1.321 155 M HN 0.366 nan 8.290 nan 0.000 0.405 156 S N -0.003 115.493 115.700 -0.341 0.000 2.370 156 S HA -0.118 4.352 4.470 0.001 0.000 0.226 156 S C 1.811 176.250 174.600 -0.267 0.000 1.033 156 S CA 1.228 59.222 58.200 -0.344 0.000 1.011 156 S CB -0.240 62.605 63.200 -0.592 0.000 0.852 156 S HN 0.411 nan 8.310 nan 0.000 0.457 157 M N 0.876 120.307 119.600 -0.281 0.000 2.267 157 M HA -0.069 4.412 4.480 0.001 0.000 0.263 157 M C 2.158 178.351 176.300 -0.177 0.000 1.063 157 M CA 1.175 56.308 55.300 -0.279 0.000 1.090 157 M CB -0.953 31.461 32.600 -0.310 0.000 1.392 157 M HN 0.292 nan 8.290 nan 0.000 0.422 158 R N 0.220 120.667 120.500 -0.088 0.000 2.119 158 R HA -0.073 4.268 4.340 0.001 0.000 0.222 158 R C 1.833 178.086 176.300 -0.078 0.000 1.088 158 R CA 0.771 56.850 56.100 -0.035 0.000 0.984 158 R CB 0.202 30.547 30.300 0.075 0.000 0.884 158 R HN 0.190 nan 8.270 nan 0.000 0.447 159 I N 0.453 120.975 120.570 -0.080 0.000 2.333 159 I HA -0.155 4.015 4.170 0.001 0.000 0.246 159 I C 2.073 178.103 176.117 -0.144 0.000 1.106 159 I CA 1.166 62.396 61.300 -0.116 0.000 1.411 159 I CB -0.714 37.245 38.000 -0.069 0.000 1.082 159 I HN 0.170 nan 8.210 nan 0.000 0.420 160 M N -0.132 119.364 119.600 -0.173 0.000 2.476 160 M HA 0.068 4.549 4.480 0.001 0.000 0.262 160 M C 1.057 177.240 176.300 -0.194 0.000 1.111 160 M CA 0.534 55.708 55.300 -0.209 0.000 1.127 160 M CB -0.913 31.515 32.600 -0.287 0.000 1.376 160 M HN 0.390 nan 8.290 nan 0.000 0.465 161 T N -1.732 112.722 114.554 -0.168 0.000 2.858 161 T HA 0.673 5.023 4.350 0.001 0.000 0.285 161 T C -0.485 174.188 174.700 -0.045 0.000 1.052 161 T CA -0.919 61.117 62.100 -0.106 0.000 1.009 161 T CB 2.015 70.809 68.868 -0.124 0.000 1.241 161 T HN -0.032 nan 8.240 nan 0.000 0.542 162 R N 0.904 121.413 120.500 0.015 0.000 2.233 162 R HA 0.541 4.881 4.340 0.001 0.000 0.334 162 R C -0.428 175.917 176.300 0.076 0.000 1.037 162 R CA -0.338 55.778 56.100 0.027 0.000 0.920 162 R CB 0.646 30.959 30.300 0.023 0.000 1.137 162 R HN 0.639 nan 8.270 nan 0.000 0.492 163 M N 1.943 121.577 119.600 0.058 0.000 2.465 163 M HA 0.663 5.143 4.480 0.001 0.000 0.316 163 M C -0.115 176.230 176.300 0.076 0.000 1.121 163 M CA 0.044 55.399 55.300 0.091 0.000 0.934 163 M CB 1.955 34.579 32.600 0.039 0.000 1.692 163 M HN 0.711 nan 8.290 nan 0.000 0.444 164 G N 2.960 111.819 108.800 0.098 0.000 2.342 164 G HA2 -0.141 3.820 3.960 0.001 0.000 0.220 164 G HA3 -0.141 3.820 3.960 0.001 0.000 0.220 164 G C -0.085 174.865 174.900 0.083 0.000 1.243 164 G CA -0.190 44.961 45.100 0.085 0.000 1.083 164 G HN 0.731 nan 8.290 nan 0.000 0.500 165 I N 1.073 121.686 120.570 0.072 0.000 2.151 165 I HA -0.086 4.085 4.170 0.001 0.000 0.243 165 I C 2.532 178.673 176.117 0.040 0.000 1.080 165 I CA 3.027 64.362 61.300 0.059 0.000 1.339 165 I CB -0.368 37.659 38.000 0.044 0.000 1.039 165 I HN 0.722 nan 8.210 nan 0.000 0.409 166 E N 0.240 120.459 120.200 0.031 0.000 2.065 166 E HA -0.344 4.006 4.350 0.001 0.000 0.201 166 E C 2.231 178.844 176.600 0.022 0.000 1.016 166 E CA 1.694 58.105 56.400 0.019 0.000 0.818 166 E CB -0.464 29.244 29.700 0.014 0.000 0.749 166 E HN 0.670 nan 8.360 nan 0.000 0.453 167 A N 0.737 123.579 122.820 0.037 0.000 1.940 167 A HA -0.191 4.129 4.320 0.001 0.000 0.219 167 A C 2.140 179.740 177.584 0.026 0.000 1.176 167 A CA 1.295 53.353 52.037 0.036 0.000 0.631 167 A CB -0.490 18.549 19.000 0.066 0.000 0.814 167 A HN 0.247 nan 8.150 nan 0.000 0.446 168 L N -0.276 120.971 121.223 0.040 0.000 2.072 168 L HA -0.081 4.259 4.340 0.001 0.000 0.205 168 L C 1.505 178.391 176.870 0.028 0.000 1.079 168 L CA 2.214 57.078 54.840 0.040 0.000 0.752 168 L CB -0.494 41.615 42.059 0.085 0.000 0.906 168 L HN 0.277 nan 8.230 nan 0.000 0.436 169 D N -0.356 120.057 120.400 0.022 0.000 2.218 169 D HA -0.158 4.482 4.640 0.001 0.000 0.204 169 D C 2.041 178.345 176.300 0.007 0.000 0.976 169 D CA 0.805 54.811 54.000 0.010 0.000 0.853 169 D CB 0.026 40.828 40.800 0.003 0.000 0.939 169 D HN 0.296 nan 8.370 nan 0.000 0.481 170 K N 0.278 120.683 120.400 0.007 0.000 2.116 170 K HA 0.042 4.363 4.320 0.001 0.000 0.203 170 K C 2.300 178.910 176.600 0.017 0.000 1.052 170 K CA 0.125 56.414 56.287 0.003 0.000 0.952 170 K CB -0.069 32.431 32.500 -0.001 0.000 0.729 170 K HN 0.253 nan 8.250 nan 0.000 0.446 171 I N 0.471 121.059 120.570 0.030 0.000 2.113 171 I HA -0.233 3.937 4.170 0.001 0.000 0.238 171 I C 1.439 177.593 176.117 0.062 0.000 1.070 171 I CA 1.309 62.647 61.300 0.063 0.000 1.332 171 I CB -0.581 37.448 38.000 0.048 0.000 1.044 171 I HN 0.324 nan 8.210 nan 0.000 0.402 172 G N -0.182 108.644 108.800 0.044 0.000 2.615 172 G HA2 -0.199 3.762 3.960 0.001 0.000 0.218 172 G HA3 -0.199 3.762 3.960 0.001 0.000 0.218 172 G C 0.483 175.414 174.900 0.052 0.000 1.339 172 G CA -0.012 45.109 45.100 0.036 0.000 0.884 172 G HN 0.487 nan 8.290 nan 0.000 0.559 173 A N -0.861 121.984 122.820 0.042 0.000 2.072 173 A HA 0.269 4.590 4.320 0.001 0.000 0.216 173 A C 1.681 179.303 177.584 0.064 0.000 1.156 173 A CA 1.950 54.017 52.037 0.049 0.000 0.701 173 A CB -0.164 18.854 19.000 0.030 0.000 0.816 173 A HN 0.702 nan 8.150 nan 0.000 0.458 174 N N -0.748 117.988 118.700 0.059 0.000 2.118 174 N HA 0.087 4.828 4.740 0.001 0.000 0.226 174 N C 0.690 176.234 175.510 0.057 0.000 1.305 174 N CA 0.462 53.542 53.050 0.052 0.000 0.890 174 N CB 0.606 39.109 38.487 0.027 0.000 1.118 174 N HN 0.311 nan 8.380 nan 0.000 0.511 175 G N 0.706 109.557 108.800 0.085 0.000 2.442 175 G HA2 0.237 4.197 3.960 0.001 0.000 0.249 175 G HA3 0.237 4.197 3.960 0.001 0.000 0.249 175 G C 0.234 175.211 174.900 0.129 0.000 1.263 175 G CA 0.114 45.270 45.100 0.092 0.000 0.846 175 G HN -0.045 nan 8.290 nan 0.000 0.555 176 S N -0.124 115.600 115.700 0.040 0.000 2.589 176 S HA 0.642 5.112 4.470 0.001 0.000 0.265 176 S C -0.347 174.274 174.600 0.036 0.000 1.342 176 S CA 0.141 58.289 58.200 -0.087 0.000 1.005 176 S CB 0.224 63.368 63.200 -0.094 0.000 0.909 176 S HN 0.660 nan 8.310 nan 0.000 0.555 177 F N -1.643 118.248 119.950 -0.099 0.000 2.773 177 F HA 0.619 5.147 4.527 0.001 0.000 0.314 177 F C -1.196 174.495 175.800 -0.182 0.000 1.160 177 F CA -1.428 56.499 58.000 -0.122 0.000 0.920 177 F CB 0.381 39.290 39.000 -0.151 0.000 1.323 177 F HN 0.200 nan 8.300 nan 0.000 0.457 178 V N 2.222 122.136 119.914 0.001 0.000 2.530 178 V HA 0.404 4.524 4.120 0.001 0.000 0.282 178 V C -0.024 176.079 176.094 0.015 0.000 1.048 178 V CA -0.512 61.697 62.300 -0.151 0.000 0.997 178 V CB 1.097 32.614 31.823 -0.510 0.000 0.987 178 V HN 0.680 nan 8.190 nan 0.000 0.477 179 R N 3.645 124.088 120.500 -0.095 0.000 2.229 179 R HA 0.563 4.904 4.340 0.001 0.000 0.328 179 R C -1.179 175.336 176.300 0.359 0.000 1.009 179 R CA -0.337 55.672 56.100 -0.151 0.000 0.864 179 R CB 0.918 30.861 30.300 -0.595 0.000 1.085 179 R HN 0.653 nan 8.270 nan 0.000 0.453 180 C N 4.570 124.207 119.300 0.561 0.000 2.364 180 C HA 0.497 4.958 4.460 0.001 0.000 0.324 180 C C -0.820 174.520 174.990 0.583 0.000 1.234 180 C CA -0.973 58.393 59.018 0.579 0.000 1.417 180 C CB 0.597 28.648 27.740 0.519 0.000 2.101 180 C HN 0.587 nan 8.230 nan 0.000 0.466 181 L N 3.893 125.402 121.223 0.477 0.000 2.346 181 L HA 0.630 4.970 4.340 0.001 0.000 0.276 181 L C -0.049 177.000 176.870 0.298 0.000 1.006 181 L CA 0.043 54.990 54.840 0.177 0.000 0.817 181 L CB 0.948 42.876 42.059 -0.218 0.000 1.272 181 L HN 0.754 nan 8.230 nan 0.000 0.421 182 H N 1.822 120.893 119.070 0.002 0.000 2.966 182 H HA 0.498 5.055 4.556 0.001 0.000 0.347 182 H C -1.755 173.556 175.328 -0.028 0.000 1.048 182 H CA -0.168 55.945 56.048 0.108 0.000 1.295 182 H CB 2.077 31.893 29.762 0.090 0.000 1.744 182 H HN 0.552 nan 8.280 nan 0.000 0.513 183 S N 3.130 118.639 115.700 -0.318 0.000 2.526 183 S HA 0.235 4.705 4.470 0.001 0.000 0.293 183 S C 1.244 175.530 174.600 -0.524 0.000 1.092 183 S CA -0.235 57.746 58.200 -0.365 0.000 0.980 183 S CB 1.346 64.691 63.200 0.241 0.000 1.048 183 S HN 0.568 nan 8.310 nan 0.000 0.483 184 V N 2.135 121.783 119.914 -0.443 0.000 3.141 184 V HA 0.309 4.429 4.120 0.001 0.000 0.265 184 V C 1.368 177.253 176.094 -0.348 0.000 1.126 184 V CA 1.145 63.260 62.300 -0.309 0.000 1.141 184 V CB -1.373 30.323 31.823 -0.211 0.000 0.743 184 V HN 1.706 nan 8.190 nan 0.000 0.492 185 G N 0.031 108.667 108.800 -0.274 0.000 2.198 185 G HA2 -0.005 3.956 3.960 0.001 0.000 0.257 185 G HA3 -0.005 3.956 3.960 0.001 0.000 0.257 185 G C 0.240 175.141 174.900 0.002 0.000 1.042 185 G CA 0.216 45.217 45.100 -0.165 0.000 0.791 185 G HN 1.936 nan 8.290 nan 0.000 0.502 186 A N 0.543 123.361 122.820 -0.004 0.000 3.204 186 A HA 0.742 5.063 4.320 0.001 0.000 0.327 186 A C -1.552 176.049 177.584 0.029 0.000 0.998 186 A CA -0.943 51.104 52.037 0.018 0.000 0.891 186 A CB 1.131 20.122 19.000 -0.016 0.000 1.061 186 A HN 0.282 nan 8.150 nan 0.000 0.478 187 P HA 0.330 nan 4.420 nan 0.000 0.271 187 P C -0.737 176.582 177.300 0.031 0.000 1.218 187 P CA 0.125 63.254 63.100 0.047 0.000 0.780 187 P CB 1.070 32.812 31.700 0.069 0.000 0.901 188 L N 2.245 123.478 121.223 0.017 0.000 2.325 188 L HA 0.326 4.667 4.340 0.001 0.000 0.281 188 L C 0.829 177.705 176.870 0.011 0.000 1.004 188 L CA -0.886 53.962 54.840 0.013 0.000 0.823 188 L CB 1.336 43.398 42.059 0.005 0.000 1.236 188 L HN 0.226 nan 8.230 nan 0.000 0.415 189 E N 3.071 123.279 120.200 0.014 0.000 2.408 189 E HA 0.069 4.419 4.350 0.001 0.000 0.259 189 E C -1.487 175.117 176.600 0.007 0.000 1.110 189 E CA -1.545 54.861 56.400 0.011 0.000 0.929 189 E CB 0.386 30.093 29.700 0.013 0.000 0.971 189 E HN 0.328 nan 8.360 nan 0.000 0.438 190 P HA -0.254 nan 4.420 nan 0.000 0.222 190 P C 1.231 178.534 177.300 0.005 0.000 1.159 190 P CA 2.261 65.363 63.100 0.003 0.000 0.920 190 P CB 0.039 31.741 31.700 0.003 0.000 0.793 191 G N -0.852 107.952 108.800 0.007 0.000 2.524 191 G HA2 -0.263 3.698 3.960 0.001 0.000 0.215 191 G HA3 -0.263 3.698 3.960 0.001 0.000 0.215 191 G C 0.585 175.491 174.900 0.010 0.000 1.239 191 G CA 0.125 45.230 45.100 0.008 0.000 0.798 191 G HN 0.352 nan 8.290 nan 0.000 0.557 192 Q N 0.969 120.776 119.800 0.011 0.000 3.359 192 Q HA -0.092 4.248 4.340 0.001 0.000 0.378 192 Q C -0.135 175.873 176.000 0.014 0.000 1.043 192 Q CA -0.020 55.791 55.803 0.014 0.000 1.248 192 Q CB 0.132 28.880 28.738 0.015 0.000 0.987 192 Q HN 0.390 nan 8.270 nan 0.000 0.436 193 E N 2.890 123.100 120.200 0.016 0.000 2.404 193 E HA 0.012 4.362 4.350 0.001 0.000 0.261 193 E C -0.656 175.955 176.600 0.019 0.000 1.074 193 E CA -0.099 56.311 56.400 0.017 0.000 0.917 193 E CB 0.739 30.451 29.700 0.019 0.000 0.965 193 E HN 0.522 nan 8.360 nan 0.000 0.433 194 D N 0.611 121.022 120.400 0.018 0.000 2.451 194 D HA 0.357 4.997 4.640 0.001 0.000 0.259 194 D C -0.835 175.483 176.300 0.029 0.000 1.201 194 D CA -0.395 53.616 54.000 0.019 0.000 1.028 194 D CB 0.965 41.772 40.800 0.011 0.000 1.095 194 D HN 0.185 nan 8.370 nan 0.000 0.539 195 V N -1.904 118.030 119.914 0.034 0.000 2.919 195 V HA 0.695 4.815 4.120 0.001 0.000 0.316 195 V C 1.185 177.320 176.094 0.068 0.000 1.077 195 V CA -0.316 62.017 62.300 0.055 0.000 0.977 195 V CB 0.915 32.779 31.823 0.068 0.000 1.039 195 V HN 0.576 nan 8.190 nan 0.000 0.441 196 A N 1.398 124.278 122.820 0.099 0.000 2.024 196 A HA -0.073 4.248 4.320 0.001 0.000 0.220 196 A C 0.986 178.701 177.584 0.219 0.000 1.164 196 A CA 1.616 53.735 52.037 0.137 0.000 0.643 196 A CB -0.264 18.822 19.000 0.143 0.000 0.806 196 A HN 1.090 nan 8.150 nan 0.000 0.451 197 W N 1.423 122.725 121.300 0.005 0.000 2.481 197 W HA 0.357 5.017 4.660 0.001 0.000 0.285 197 W C -3.228 173.296 176.519 0.009 0.000 1.017 197 W CA -2.064 55.279 57.345 -0.003 0.000 1.499 197 W CB 1.346 30.807 29.460 0.001 0.000 1.381 197 W HN 0.083 nan 8.180 nan 0.000 0.390 198 P HA 0.451 nan 4.420 nan 0.000 0.279 198 P C -0.162 177.049 177.300 -0.147 0.000 1.252 198 P CA 0.318 63.359 63.100 -0.097 0.000 0.811 198 P CB 1.894 33.536 31.700 -0.096 0.000 1.035 199 C N -1.483 117.796 119.300 -0.036 0.000 3.180 199 C HA 0.578 5.038 4.460 0.001 0.000 0.334 199 C C -1.681 173.302 174.990 -0.010 0.000 1.399 199 C CA -0.833 58.167 59.018 -0.030 0.000 1.185 199 C CB 0.894 28.690 27.740 0.093 0.000 1.498 199 C HN 0.686 nan 8.230 nan 0.000 0.426 200 N N -0.018 118.666 118.700 -0.026 0.000 2.235 200 N HA 0.318 5.059 4.740 0.001 0.000 0.293 200 N C -0.308 175.227 175.510 0.042 0.000 1.083 200 N CA -0.320 52.736 53.050 0.010 0.000 0.801 200 N CB 2.233 40.697 38.487 -0.038 0.000 1.559 200 N HN 0.772 nan 8.380 nan 0.000 0.472 201 D N 0.510 120.953 120.400 0.071 0.000 2.263 201 D HA -0.056 4.585 4.640 0.001 0.000 0.208 201 D C 0.011 176.338 176.300 0.045 0.000 0.971 201 D CA 1.420 55.456 54.000 0.060 0.000 0.867 201 D CB 0.160 41.000 40.800 0.066 0.000 0.929 201 D HN 0.377 nan 8.370 nan 0.000 0.492 202 T N 1.774 116.379 114.554 0.085 0.000 2.728 202 T HA 0.295 4.646 4.350 0.001 0.000 0.296 202 T C 0.208 174.916 174.700 0.014 0.000 0.940 202 T CA -0.353 61.760 62.100 0.021 0.000 1.013 202 T CB 1.084 70.012 68.868 0.100 0.000 0.912 202 T HN -0.114 nan 8.240 nan 0.000 0.484 203 K N 2.966 123.261 120.400 -0.174 0.000 2.324 203 K HA 0.614 4.934 4.320 0.001 0.000 0.253 203 K C -1.542 174.915 176.600 -0.240 0.000 0.932 203 K CA -0.836 55.404 56.287 -0.077 0.000 0.799 203 K CB 2.055 34.548 32.500 -0.012 0.000 1.154 203 K HN 0.463 nan 8.250 nan 0.000 0.425 204 Y N 1.217 121.656 120.300 0.232 0.000 2.513 204 Y HA 0.444 4.995 4.550 0.001 0.000 0.340 204 Y C -1.055 175.015 175.900 0.283 0.000 1.055 204 Y CA -0.960 57.291 58.100 0.251 0.000 1.020 204 Y CB 1.564 40.132 38.460 0.180 0.000 1.301 204 Y HN 0.355 nan 8.280 nan 0.000 0.453 205 I N 2.354 123.199 120.570 0.457 0.000 2.500 205 I HA 0.456 4.626 4.170 0.001 0.000 0.286 205 I C -0.694 175.623 176.117 0.334 0.000 1.063 205 I CA -0.404 61.112 61.300 0.360 0.000 1.062 205 I CB 2.104 40.259 38.000 0.259 0.000 1.223 205 I HN 0.504 nan 8.210 nan 0.000 0.435 206 T N 5.038 119.734 114.554 0.236 0.000 2.841 206 T HA 0.567 4.918 4.350 0.001 0.000 0.285 206 T C -0.483 174.059 174.700 -0.262 0.000 0.991 206 T CA -0.682 61.381 62.100 -0.060 0.000 0.966 206 T CB 1.451 70.150 68.868 -0.283 0.000 0.962 206 T HN 0.295 nan 8.240 nan 0.000 0.438 207 Q N 1.773 121.365 119.800 -0.347 0.000 2.293 207 Q HA 0.551 4.891 4.340 0.001 0.000 0.261 207 Q C -1.151 174.484 176.000 -0.607 0.000 0.960 207 Q CA -0.262 55.382 55.803 -0.266 0.000 0.882 207 Q CB 1.123 29.839 28.738 -0.036 0.000 1.275 207 Q HN 0.604 nan 8.270 nan 0.000 0.445 208 F N 4.141 124.063 119.950 -0.046 0.000 2.291 208 F HA 0.326 4.854 4.527 0.001 0.000 0.368 208 F C -1.505 174.272 175.800 -0.038 0.000 1.085 208 F CA -2.079 55.870 58.000 -0.084 0.000 1.165 208 F CB 1.246 40.126 39.000 -0.199 0.000 1.429 208 F HN 0.541 nan 8.300 nan 0.000 0.503 209 P HA -0.164 nan 4.420 nan 0.000 0.219 209 P C 1.123 178.447 177.300 0.040 0.000 1.146 209 P CA 1.355 64.494 63.100 0.066 0.000 0.808 209 P CB 0.384 32.129 31.700 0.074 0.000 0.779 210 E N -1.026 119.208 120.200 0.057 0.000 2.112 210 E HA -0.071 4.280 4.350 0.001 0.000 0.190 210 E C 1.689 178.287 176.600 -0.002 0.000 0.979 210 E CA 1.672 58.084 56.400 0.020 0.000 0.814 210 E CB -0.679 29.037 29.700 0.027 0.000 0.762 210 E HN 0.332 nan 8.360 nan 0.000 0.460 211 T N -1.778 112.783 114.554 0.012 0.000 3.069 211 T HA 0.142 4.493 4.350 0.001 0.000 0.252 211 T C 0.117 174.792 174.700 -0.041 0.000 1.053 211 T CA -0.431 61.650 62.100 -0.031 0.000 0.964 211 T CB 0.140 68.976 68.868 -0.054 0.000 1.005 211 T HN -0.147 nan 8.240 nan 0.000 0.532 212 K N 2.069 122.464 120.400 -0.009 0.000 3.653 212 K HA -0.150 4.171 4.320 0.001 0.000 0.275 212 K C -0.794 175.799 176.600 -0.012 0.000 0.962 212 K CA 0.835 57.100 56.287 -0.035 0.000 0.773 212 K CB -1.852 30.587 32.500 -0.100 0.000 1.463 212 K HN 0.797 nan 8.250 nan 0.000 0.450 213 E N 0.391 120.663 120.200 0.120 0.000 2.343 213 E HA 0.706 5.057 4.350 0.001 0.000 0.270 213 E C -0.176 176.644 176.600 0.366 0.000 0.895 213 E CA -1.055 55.503 56.400 0.264 0.000 0.767 213 E CB 1.825 31.736 29.700 0.351 0.000 1.248 213 E HN 0.173 nan 8.360 nan 0.000 0.440 214 I N 1.381 122.258 120.570 0.512 0.000 2.466 214 I HA 0.371 4.541 4.170 0.001 0.000 0.289 214 I C -1.363 175.266 176.117 0.853 0.000 1.026 214 I CA -0.711 60.883 61.300 0.490 0.000 1.078 214 I CB 1.161 39.387 38.000 0.376 0.000 1.249 214 I HN 0.356 nan 8.210 nan 0.000 0.429 215 W N 4.606 126.159 121.300 0.421 0.000 2.600 215 W HA 0.594 5.255 4.660 0.001 0.000 0.325 215 W C 0.081 176.880 176.519 0.467 0.000 1.034 215 W CA -1.200 56.464 57.345 0.531 0.000 1.226 215 W CB 1.856 31.700 29.460 0.640 0.000 1.379 215 W HN 0.236 nan 8.180 nan 0.000 0.466 216 S N 3.141 119.297 115.700 0.761 0.000 2.503 216 S HA 0.740 5.211 4.470 0.001 0.000 0.301 216 S C -1.877 173.154 174.600 0.720 0.000 1.087 216 S CA -0.362 58.230 58.200 0.653 0.000 1.042 216 S CB 0.880 64.441 63.200 0.602 0.000 1.043 216 S HN 0.319 nan 8.310 nan 0.000 0.489 217 Y N 2.044 122.600 120.300 0.427 0.000 2.479 217 Y HA 0.548 5.099 4.550 0.001 0.000 0.338 217 Y C 0.505 176.546 175.900 0.235 0.000 1.055 217 Y CA 0.278 58.567 58.100 0.314 0.000 1.023 217 Y CB 1.527 40.080 38.460 0.154 0.000 1.287 217 Y HN 0.926 nan 8.280 nan 0.000 0.447 218 G N 2.506 110.945 108.800 -0.601 0.000 2.194 218 G HA2 -0.194 3.766 3.960 0.001 0.000 0.236 218 G HA3 -0.194 3.766 3.960 0.001 0.000 0.236 218 G C -0.224 174.593 174.900 -0.138 0.000 0.987 218 G CA 0.152 44.898 45.100 -0.591 0.000 0.635 218 G HN 1.071 nan 8.290 nan 0.000 0.520 219 S N -0.541 115.182 115.700 0.038 0.000 2.521 219 S HA 0.649 5.119 4.470 0.001 0.000 0.295 219 S C 0.985 175.759 174.600 0.290 0.000 1.098 219 S CA 0.736 59.053 58.200 0.195 0.000 0.999 219 S CB 1.576 64.920 63.200 0.241 0.000 1.034 219 S HN 1.348 nan 8.310 nan 0.000 0.483 220 G N 2.283 111.239 108.800 0.261 0.000 3.233 220 G HA2 0.180 4.140 3.960 0.001 0.000 0.234 220 G HA3 0.180 4.140 3.960 0.001 0.000 0.234 220 G C -0.373 174.763 174.900 0.393 0.000 1.137 220 G CA -0.051 45.123 45.100 0.124 0.000 0.763 220 G HN 0.669 nan 8.290 nan 0.000 0.549 221 Y N 1.412 121.956 120.300 0.408 0.000 2.330 221 Y HA 0.455 5.006 4.550 0.001 0.000 0.336 221 Y C 1.256 177.344 175.900 0.313 0.000 1.036 221 Y CA 0.185 58.559 58.100 0.456 0.000 1.125 221 Y CB 1.154 39.833 38.460 0.364 0.000 1.194 221 Y HN 0.388 nan 8.280 nan 0.000 0.469 222 G N 3.826 112.383 108.800 -0.406 0.000 2.652 222 G HA2 -0.407 3.554 3.960 0.001 0.000 0.318 222 G HA3 -0.407 3.554 3.960 0.001 0.000 0.318 222 G C 1.143 176.050 174.900 0.011 0.000 1.295 222 G CA 0.347 45.365 45.100 -0.137 0.000 0.999 222 G HN 1.484 nan 8.290 nan 0.000 0.548 223 G N 0.166 109.066 108.800 0.166 0.000 2.708 223 G HA2 0.072 4.033 3.960 0.001 0.000 0.210 223 G HA3 0.072 4.033 3.960 0.001 0.000 0.210 223 G C 1.309 176.315 174.900 0.177 0.000 1.141 223 G CA 1.321 46.507 45.100 0.143 0.000 0.788 223 G HN 0.561 nan 8.290 nan 0.000 0.531 224 N N 0.605 119.437 118.700 0.220 0.000 2.395 224 N HA 0.089 4.829 4.740 0.001 0.000 0.175 224 N C 2.037 177.642 175.510 0.157 0.000 1.029 224 N CA 0.984 54.170 53.050 0.226 0.000 0.897 224 N CB 0.219 38.875 38.487 0.281 0.000 0.991 224 N HN 0.342 nan 8.380 nan 0.000 0.441 225 A N 0.211 123.042 122.820 0.018 0.000 1.999 225 A HA 0.244 4.564 4.320 0.001 0.000 0.200 225 A C 0.418 177.799 177.584 -0.338 0.000 1.363 225 A CA -0.048 51.791 52.037 -0.330 0.000 0.844 225 A CB 0.295 19.155 19.000 -0.233 0.000 0.954 225 A HN 0.016 nan 8.150 nan 0.000 0.481 226 I N 2.844 123.282 120.570 -0.221 0.000 2.455 226 I HA 0.082 4.253 4.170 0.001 0.000 0.303 226 I C 0.914 176.941 176.117 -0.149 0.000 1.180 226 I CA -0.093 61.048 61.300 -0.264 0.000 1.469 226 I CB -0.754 36.999 38.000 -0.410 0.000 1.480 226 I HN 0.282 nan 8.210 nan 0.000 0.669 227 L N 3.989 125.158 121.223 -0.090 0.000 2.217 227 L HA -0.106 4.234 4.340 0.001 0.000 0.211 227 L C 2.568 179.537 176.870 0.165 0.000 1.107 227 L CA 0.858 55.752 54.840 0.091 0.000 0.783 227 L CB -0.393 41.792 42.059 0.209 0.000 0.919 227 L HN 0.640 nan 8.230 nan 0.000 0.442 228 A N 0.916 123.735 122.820 -0.002 0.000 1.873 228 A HA -0.239 4.082 4.320 0.001 0.000 0.218 228 A C 1.499 179.115 177.584 0.054 0.000 1.193 228 A CA 1.292 53.351 52.037 0.036 0.000 0.629 228 A CB -0.463 18.375 19.000 -0.270 0.000 0.826 228 A HN 0.347 nan 8.150 nan 0.000 0.447 229 K N -0.318 120.050 120.400 -0.052 0.000 2.383 229 K HA 0.179 4.499 4.320 0.001 0.000 0.286 229 K C 0.452 177.073 176.600 0.035 0.000 1.051 229 K CA 0.249 56.506 56.287 -0.050 0.000 0.974 229 K CB 0.470 32.870 32.500 -0.167 0.000 0.968 229 K HN 0.231 nan 8.250 nan 0.000 0.475 230 K N 2.140 122.558 120.400 0.030 0.000 9.671 230 K HA -0.261 4.059 4.320 0.001 0.000 0.509 230 K C 1.518 178.237 176.600 0.198 0.000 0.371 230 K CA 2.100 58.406 56.287 0.031 0.000 1.956 230 K CB -2.686 29.865 32.500 0.085 0.000 0.711 230 K HN 0.728 nan 8.250 nan 0.000 1.081 231 C N 0.332 119.777 119.300 0.240 0.000 2.462 231 C HA -0.057 4.403 4.460 0.001 0.000 0.278 231 C C 2.519 177.725 174.990 0.359 0.000 1.253 231 C CA 1.122 60.309 59.018 0.282 0.000 1.713 231 C CB -0.978 26.922 27.740 0.267 0.000 2.049 231 C HN 0.491 nan 8.230 nan 0.000 0.477 232 Y N 1.213 121.669 120.300 0.260 0.000 2.134 232 Y HA -0.001 4.550 4.550 0.001 0.000 0.283 232 Y C 2.693 178.826 175.900 0.388 0.000 1.108 232 Y CA 0.836 59.134 58.100 0.330 0.000 1.096 232 Y CB -0.474 38.224 38.460 0.398 0.000 1.005 232 Y HN 0.209 nan 8.280 nan 0.000 0.487 233 A N 0.338 123.461 122.820 0.505 0.000 1.997 233 A HA -0.229 4.091 4.320 0.001 0.000 0.221 233 A C 2.005 179.932 177.584 0.572 0.000 1.172 233 A CA 2.166 54.497 52.037 0.489 0.000 0.645 233 A CB -0.800 18.320 19.000 0.199 0.000 0.813 233 A HN 0.599 nan 8.150 nan 0.000 0.454 234 L N -3.345 118.104 121.223 0.377 0.000 2.526 234 L HA 0.122 4.463 4.340 0.001 0.000 0.210 234 L C 2.742 179.791 176.870 0.299 0.000 1.048 234 L CA 0.240 55.271 54.840 0.319 0.000 0.852 234 L CB -0.282 41.868 42.059 0.152 0.000 1.128 234 L HN 0.247 nan 8.230 nan 0.000 0.482 235 R N 0.170 120.846 120.500 0.294 0.000 2.052 235 R HA 0.015 4.356 4.340 0.001 0.000 0.224 235 R C 2.120 178.550 176.300 0.217 0.000 1.149 235 R CA 0.902 57.149 56.100 0.245 0.000 0.962 235 R CB -0.046 30.389 30.300 0.226 0.000 0.856 235 R HN 0.119 nan 8.270 nan 0.000 0.433 236 I N 1.199 121.903 120.570 0.224 0.000 2.286 236 I HA -0.176 3.994 4.170 0.001 0.000 0.248 236 I C 2.417 178.627 176.117 0.154 0.000 1.115 236 I CA 1.214 62.607 61.300 0.154 0.000 1.392 236 I CB -1.252 36.796 38.000 0.081 0.000 1.065 236 I HN 0.173 nan 8.210 nan 0.000 0.418 237 A N 0.717 123.691 122.820 0.258 0.000 1.929 237 A HA -0.146 4.175 4.320 0.001 0.000 0.216 237 A C 2.505 179.996 177.584 -0.156 0.000 1.176 237 A CA 1.733 53.857 52.037 0.145 0.000 0.628 237 A CB -0.700 18.526 19.000 0.377 0.000 0.816 237 A HN 0.528 nan 8.150 nan 0.000 0.444 238 S N -0.133 115.578 115.700 0.019 0.000 2.399 238 S HA -0.125 4.345 4.470 0.001 0.000 0.231 238 S C 1.748 176.338 174.600 -0.017 0.000 1.022 238 S CA 1.408 59.645 58.200 0.062 0.000 0.983 238 S CB -0.943 62.450 63.200 0.321 0.000 0.803 238 S HN 0.234 nan 8.310 nan 0.000 0.480 239 V N 2.373 122.276 119.914 -0.018 0.000 2.223 239 V HA -0.203 3.917 4.120 0.001 0.000 0.244 239 V C 2.703 178.624 176.094 -0.289 0.000 1.045 239 V CA 2.370 64.555 62.300 -0.191 0.000 1.000 239 V CB -0.938 30.854 31.823 -0.051 0.000 0.635 239 V HN 0.439 nan 8.190 nan 0.000 0.445 240 M N -0.045 119.424 119.600 -0.218 0.000 2.151 240 M HA -0.318 4.163 4.480 0.001 0.000 0.256 240 M C 2.367 178.327 176.300 -0.566 0.000 1.072 240 M CA 2.647 57.807 55.300 -0.234 0.000 1.090 240 M CB -0.740 31.822 32.600 -0.063 0.000 1.294 240 M HN 0.448 nan 8.290 nan 0.000 0.415 241 A N -0.103 122.030 122.820 -1.144 0.000 1.927 241 A HA -0.271 4.050 4.320 0.001 0.000 0.220 241 A C 2.061 179.150 177.584 -0.824 0.000 1.185 241 A CA 2.396 53.364 52.037 -1.782 0.000 0.639 241 A CB -0.699 17.434 19.000 -1.444 0.000 0.820 241 A HN 0.437 nan 8.150 nan 0.000 0.451 242 R N 0.095 120.273 120.500 -0.537 0.000 2.115 242 R HA -0.011 4.330 4.340 0.001 0.000 0.226 242 R C 1.814 177.929 176.300 -0.308 0.000 1.100 242 R CA 1.887 57.752 56.100 -0.391 0.000 0.980 242 R CB -0.560 29.356 30.300 -0.640 0.000 0.875 242 R HN 0.698 nan 8.270 nan 0.000 0.445 243 E N -0.208 119.810 120.200 -0.303 0.000 2.158 243 E HA -0.109 4.241 4.350 0.001 0.000 0.191 243 E C 1.146 177.677 176.600 -0.115 0.000 0.982 243 E CA 1.320 57.611 56.400 -0.183 0.000 0.823 243 E CB 0.133 29.744 29.700 -0.150 0.000 0.766 243 E HN 0.496 nan 8.360 nan 0.000 0.468 244 E N -0.800 119.328 120.200 -0.120 0.000 2.476 244 E HA 0.157 4.508 4.350 0.001 0.000 0.199 244 E C 0.436 177.089 176.600 0.087 0.000 1.021 244 E CA 0.262 56.683 56.400 0.035 0.000 0.907 244 E CB 1.247 31.081 29.700 0.223 0.000 0.974 244 E HN 0.238 nan 8.360 nan 0.000 0.489 245 G N 1.890 110.663 108.800 -0.045 0.000 2.255 245 G HA2 -0.177 3.783 3.960 0.001 0.000 0.239 245 G HA3 -0.177 3.783 3.960 0.001 0.000 0.239 245 G C -0.339 174.635 174.900 0.124 0.000 1.083 245 G CA 0.230 45.338 45.100 0.013 0.000 0.826 245 G HN 0.251 nan 8.290 nan 0.000 0.493 246 W N -1.886 119.375 121.300 -0.064 0.000 3.307 246 W HA 0.842 5.503 4.660 0.001 0.000 0.376 246 W C -0.711 175.768 176.519 -0.067 0.000 1.113 246 W CA -1.623 55.682 57.345 -0.067 0.000 1.087 246 W CB 0.819 30.243 29.460 -0.061 0.000 1.511 246 W HN 0.147 nan 8.180 nan 0.000 0.604 247 M N 1.645 121.396 119.600 0.252 0.000 2.386 247 M HA 0.578 5.058 4.480 0.001 0.000 0.293 247 M C -0.755 175.686 176.300 0.235 0.000 1.120 247 M CA -0.567 54.761 55.300 0.046 0.000 0.909 247 M CB 2.514 35.115 32.600 0.002 0.000 1.661 247 M HN 0.454 nan 8.290 nan 0.000 0.452 248 A N 2.565 125.442 122.820 0.095 0.000 2.287 248 A HA 0.850 5.171 4.320 0.001 0.000 0.317 248 A C -0.884 176.956 177.584 0.426 0.000 1.220 248 A CA -0.509 51.719 52.037 0.317 0.000 0.835 248 A CB 0.855 19.940 19.000 0.141 0.000 1.180 248 A HN 0.704 nan 8.150 nan 0.000 0.500 249 E N 0.489 120.986 120.200 0.496 0.000 2.416 249 E HA 0.266 4.617 4.350 0.001 0.000 0.273 249 E C -1.163 175.711 176.600 0.457 0.000 0.935 249 E CA -0.561 56.136 56.400 0.496 0.000 0.784 249 E CB 1.483 31.463 29.700 0.466 0.000 1.301 249 E HN 0.755 nan 8.360 nan 0.000 0.454 250 H N 1.633 120.889 119.070 0.310 0.000 2.432 250 H HA 0.409 4.965 4.556 0.001 0.000 0.226 250 H C -0.846 174.591 175.328 0.181 0.000 1.634 250 H CA -0.194 55.981 56.048 0.211 0.000 1.253 250 H CB -0.002 29.892 29.762 0.219 0.000 1.584 250 H HN 0.226 nan 8.280 nan 0.000 0.545 251 M N 4.010 123.662 119.600 0.087 0.000 2.259 251 M HA 0.175 4.656 4.480 0.001 0.000 0.304 251 M C -0.358 175.938 176.300 -0.006 0.000 1.019 251 M CA -1.162 54.139 55.300 0.002 0.000 0.922 251 M CB 2.500 35.145 32.600 0.075 0.000 1.600 251 M HN 0.328 nan 8.290 nan 0.000 0.433 252 L N 1.995 123.187 121.223 -0.052 0.000 2.456 252 L HA 0.547 4.887 4.340 0.001 0.000 0.266 252 L C -0.847 176.046 176.870 0.038 0.000 1.258 252 L CA 0.308 55.157 54.840 0.014 0.000 0.823 252 L CB 0.147 42.219 42.059 0.022 0.000 1.100 252 L HN 0.615 nan 8.230 nan 0.000 0.531 253 I N 1.302 121.919 120.570 0.078 0.000 2.586 253 I HA 0.373 4.544 4.170 0.001 0.000 0.288 253 I C -1.357 174.841 176.117 0.135 0.000 1.147 253 I CA -0.332 61.029 61.300 0.103 0.000 1.047 253 I CB 1.983 40.045 38.000 0.103 0.000 1.244 253 I HN 0.545 nan 8.210 nan 0.000 0.429 254 L N 6.919 128.232 121.223 0.151 0.000 2.356 254 L HA 0.511 4.851 4.340 0.001 0.000 0.277 254 L C -0.501 176.484 176.870 0.191 0.000 0.996 254 L CA -0.362 54.570 54.840 0.154 0.000 0.822 254 L CB 1.633 43.767 42.059 0.126 0.000 1.256 254 L HN 0.469 nan 8.230 nan 0.000 0.413 255 K N 4.399 124.914 120.400 0.190 0.000 2.312 255 K HA 0.456 4.777 4.320 0.001 0.000 0.287 255 K C -1.516 175.118 176.600 0.058 0.000 1.062 255 K CA -0.544 55.788 56.287 0.075 0.000 0.934 255 K CB 0.709 33.288 32.500 0.131 0.000 1.027 255 K HN 0.573 nan 8.250 nan 0.000 0.478 256 L N 6.623 127.869 121.223 0.039 0.000 2.349 256 L HA 0.461 4.801 4.340 0.001 0.000 0.278 256 L C -1.264 175.708 176.870 0.170 0.000 0.996 256 L CA -0.633 54.308 54.840 0.168 0.000 0.825 256 L CB 1.479 43.682 42.059 0.241 0.000 1.243 256 L HN 0.531 nan 8.230 nan 0.000 0.412 257 I N 5.048 125.695 120.570 0.129 0.000 2.354 257 I HA 0.422 4.593 4.170 0.001 0.000 0.292 257 I C 0.211 176.230 176.117 -0.164 0.000 0.989 257 I CA -0.487 60.816 61.300 0.005 0.000 1.188 257 I CB 1.227 39.208 38.000 -0.031 0.000 1.342 257 I HN 0.694 nan 8.210 nan 0.000 0.457 258 N N 7.248 125.736 118.700 -0.353 0.000 2.405 258 N HA 0.482 5.222 4.740 0.001 0.000 0.269 258 N C -2.895 172.166 175.510 -0.748 0.000 1.249 258 N CA -2.048 50.353 53.050 -1.082 0.000 0.974 258 N CB -0.056 37.860 38.487 -0.951 0.000 1.204 258 N HN 0.132 nan 8.380 nan 0.000 0.565 259 P HA 0.102 nan 4.420 nan 0.000 0.276 259 P C -0.625 176.539 177.300 -0.226 0.000 1.230 259 P CA 0.145 63.005 63.100 -0.399 0.000 0.776 259 P CB 0.160 31.685 31.700 -0.291 0.000 0.888 260 E N 1.953 122.060 120.200 -0.154 0.000 1.121 260 E HA -0.220 4.130 4.350 0.001 0.000 0.340 260 E C 1.095 177.622 176.600 -0.120 0.000 1.411 260 E CA 1.927 58.260 56.400 -0.111 0.000 1.268 260 E CB -1.177 28.479 29.700 -0.072 0.000 0.516 260 E HN 0.862 nan 8.360 nan 0.000 0.350 261 G N 3.609 112.337 108.800 -0.119 0.000 2.134 261 G HA2 -0.243 3.717 3.960 0.001 0.000 0.225 261 G HA3 -0.243 3.717 3.960 0.001 0.000 0.225 261 G C 0.015 174.842 174.900 -0.122 0.000 1.944 261 G CA -0.016 45.022 45.100 -0.103 0.000 1.512 261 G HN 0.466 nan 8.290 nan 0.000 0.493 262 K N 1.977 122.297 120.400 -0.134 0.000 2.322 262 K HA 0.608 4.928 4.320 0.001 0.000 0.283 262 K C 0.183 176.644 176.600 -0.231 0.000 1.042 262 K CA 0.360 56.534 56.287 -0.189 0.000 0.958 262 K CB 0.976 33.369 32.500 -0.179 0.000 0.984 262 K HN 0.758 nan 8.250 nan 0.000 0.473 263 A N 4.786 127.427 122.820 -0.298 0.000 2.269 263 A HA 0.331 4.651 4.320 0.001 0.000 0.302 263 A C -1.245 176.049 177.584 -0.483 0.000 1.266 263 A CA -0.450 51.412 52.037 -0.292 0.000 0.894 263 A CB 0.030 18.902 19.000 -0.214 0.000 1.147 263 A HN 0.627 nan 8.150 nan 0.000 0.537 264 Y N 1.190 121.361 120.300 -0.216 0.000 2.432 264 Y HA 0.529 5.080 4.550 0.001 0.000 0.322 264 Y C 0.725 176.357 175.900 -0.447 0.000 1.246 264 Y CA -0.312 57.670 58.100 -0.197 0.000 1.268 264 Y CB 1.205 39.646 38.460 -0.031 0.000 1.276 264 Y HN 0.612 nan 8.280 nan 0.000 0.499 265 H N 1.963 121.139 119.070 0.176 0.000 2.689 265 H HA 0.501 5.057 4.556 0.001 0.000 0.346 265 H C -1.244 174.142 175.328 0.097 0.000 1.037 265 H CA -0.579 55.529 56.048 0.099 0.000 1.234 265 H CB 1.978 31.755 29.762 0.025 0.000 1.572 265 H HN 0.512 nan 8.280 nan 0.000 0.524 266 I N 2.072 122.747 120.570 0.175 0.000 2.436 266 I HA 0.452 4.623 4.170 0.001 0.000 0.289 266 I C 0.098 176.264 176.117 0.083 0.000 1.010 266 I CA -0.726 60.638 61.300 0.107 0.000 1.098 266 I CB 1.833 39.876 38.000 0.071 0.000 1.266 266 I HN 0.529 nan 8.210 nan 0.000 0.434 267 A N 5.058 127.909 122.820 0.052 0.000 2.306 267 A HA 0.954 5.275 4.320 0.001 0.000 0.330 267 A C -0.519 177.008 177.584 -0.094 0.000 1.146 267 A CA -0.470 51.575 52.037 0.012 0.000 0.827 267 A CB 1.312 20.341 19.000 0.048 0.000 1.178 267 A HN 0.845 nan 8.150 nan 0.000 0.490 268 A N 0.521 123.228 122.820 -0.188 0.000 2.466 268 A HA 0.667 4.987 4.320 0.001 0.000 0.284 268 A C -0.374 176.890 177.584 -0.534 0.000 1.049 268 A CA 0.267 52.033 52.037 -0.452 0.000 0.760 268 A CB 0.607 19.233 19.000 -0.623 0.000 1.274 268 A HN 2.232 nan 8.150 nan 0.000 0.412 269 A N 2.640 125.238 122.820 -0.370 0.000 2.260 269 A HA 0.756 5.076 4.320 0.001 0.000 0.312 269 A C -0.771 176.792 177.584 -0.034 0.000 1.321 269 A CA -0.133 51.843 52.037 -0.102 0.000 0.928 269 A CB -0.354 18.811 19.000 0.274 0.000 1.158 269 A HN 0.706 nan 8.150 nan 0.000 0.542 270 F N 3.877 123.883 119.950 0.094 0.000 2.482 270 F HA 0.403 4.931 4.527 0.001 0.000 0.331 270 F C -1.922 173.933 175.800 0.093 0.000 1.115 270 F CA -2.570 55.476 58.000 0.077 0.000 0.955 270 F CB 2.746 41.785 39.000 0.066 0.000 1.136 270 F HN 0.392 nan 8.300 nan 0.000 0.452 271 P HA 0.103 nan 4.420 nan 0.000 0.263 271 P C -0.433 176.972 177.300 0.176 0.000 1.601 271 P CA 0.538 63.775 63.100 0.229 0.000 1.161 271 P CB 1.310 33.085 31.700 0.125 0.000 1.730 272 S N 1.559 117.386 115.700 0.212 0.000 4.569 272 S HA 0.699 5.170 4.470 0.001 0.000 0.161 272 S C 0.472 175.161 174.600 0.149 0.000 1.104 272 S CA 0.836 59.122 58.200 0.144 0.000 1.153 272 S CB 0.121 63.404 63.200 0.138 0.000 2.018 272 S HN 0.335 nan 8.310 nan 0.000 0.800 273 A N -0.385 122.511 122.820 0.127 0.000 3.570 273 A HA -0.074 4.246 4.320 0.001 0.000 0.194 273 A C 1.710 179.330 177.584 0.060 0.000 1.297 273 A CA 0.737 52.821 52.037 0.079 0.000 1.173 273 A CB -1.974 17.050 19.000 0.040 0.000 0.813 273 A HN 1.220 nan 8.150 nan 0.000 0.391 274 C N 1.753 121.082 119.300 0.048 0.000 2.495 274 C HA 0.495 4.956 4.460 0.001 0.000 0.275 274 C C 2.638 177.713 174.990 0.140 0.000 1.392 274 C CA 0.946 60.000 59.018 0.060 0.000 1.766 274 C CB -1.632 26.125 27.740 0.027 0.000 1.933 274 C HN 1.224 nan 8.230 nan 0.000 0.519 275 G N 1.739 110.644 108.800 0.175 0.000 2.418 275 G HA2 -0.158 3.803 3.960 0.001 0.000 0.217 275 G HA3 -0.158 3.803 3.960 0.001 0.000 0.217 275 G C 1.761 176.891 174.900 0.383 0.000 1.158 275 G CA 0.705 45.959 45.100 0.256 0.000 0.771 275 G HN 0.653 nan 8.290 nan 0.000 0.545 276 K N -0.215 120.414 120.400 0.382 0.000 2.031 276 K HA -0.006 4.314 4.320 0.001 0.000 0.205 276 K C 2.747 179.465 176.600 0.197 0.000 1.049 276 K CA 1.408 57.904 56.287 0.349 0.000 0.939 276 K CB -0.482 32.115 32.500 0.161 0.000 0.717 276 K HN 0.130 nan 8.250 nan 0.000 0.438 277 T N 1.760 116.383 114.554 0.115 0.000 2.665 277 T HA -0.140 4.211 4.350 0.001 0.000 0.268 277 T C 1.611 176.337 174.700 0.044 0.000 1.035 277 T CA 1.606 63.726 62.100 0.033 0.000 1.151 277 T CB -0.299 68.564 68.868 -0.008 0.000 0.862 277 T HN 0.200 nan 8.240 nan 0.000 0.438 278 N N 0.862 119.628 118.700 0.110 0.000 2.188 278 N HA -0.008 4.732 4.740 0.001 0.000 0.184 278 N C 1.690 177.280 175.510 0.134 0.000 1.018 278 N CA 0.640 53.763 53.050 0.122 0.000 0.858 278 N CB -0.534 38.073 38.487 0.200 0.000 0.989 278 N HN 0.205 nan 8.380 nan 0.000 0.426 279 L N 1.150 122.507 121.223 0.223 0.000 2.044 279 L HA 0.089 4.430 4.340 0.001 0.000 0.205 279 L C 2.136 179.101 176.870 0.159 0.000 1.075 279 L CA 1.262 56.251 54.840 0.248 0.000 0.747 279 L CB -1.048 41.308 42.059 0.496 0.000 0.903 279 L HN 0.098 nan 8.230 nan 0.000 0.435 280 A N -0.442 122.454 122.820 0.128 0.000 1.917 280 A HA -0.219 4.102 4.320 0.001 0.000 0.219 280 A C 1.893 179.498 177.584 0.035 0.000 1.182 280 A CA 2.206 54.290 52.037 0.078 0.000 0.633 280 A CB -0.585 18.451 19.000 0.060 0.000 0.819 280 A HN 0.525 nan 8.150 nan 0.000 0.448 281 M N -0.487 119.104 119.600 -0.015 0.000 2.738 281 M HA 0.372 4.853 4.480 0.001 0.000 0.295 281 M C 0.101 176.392 176.300 -0.014 0.000 1.266 281 M CA -0.137 55.133 55.300 -0.050 0.000 0.985 281 M CB -0.027 32.484 32.600 -0.149 0.000 1.365 281 M HN 0.341 nan 8.290 nan 0.000 0.492 282 I N 1.744 122.329 120.570 0.025 0.000 2.710 282 I HA -0.020 4.150 4.170 0.001 0.000 0.286 282 I C 0.614 176.744 176.117 0.022 0.000 1.181 282 I CA 0.732 62.047 61.300 0.024 0.000 1.430 282 I CB 0.931 38.953 38.000 0.036 0.000 1.367 282 I HN 0.186 nan 8.210 nan 0.000 0.577 283 T N 7.441 122.000 114.554 0.009 0.000 2.770 283 T HA 0.536 4.886 4.350 0.001 0.000 0.297 283 T C -2.270 172.441 174.700 0.017 0.000 0.997 283 T CA -1.810 60.302 62.100 0.021 0.000 0.949 283 T CB 1.131 70.009 68.868 0.016 0.000 0.941 283 T HN 0.342 nan 8.240 nan 0.000 0.457 284 P HA 0.205 nan 4.420 nan 0.000 0.270 284 P C 0.473 177.786 177.300 0.022 0.000 1.227 284 P CA -0.173 62.946 63.100 0.033 0.000 0.788 284 P CB 0.515 32.282 31.700 0.113 0.000 0.926 285 T N -0.387 114.161 114.554 -0.009 0.000 3.043 285 T HA 0.267 4.618 4.350 0.001 0.000 0.272 285 T C 0.378 175.077 174.700 -0.002 0.000 0.990 285 T CA -0.239 61.846 62.100 -0.023 0.000 0.897 285 T CB -0.346 68.480 68.868 -0.070 0.000 1.111 285 T HN 0.298 nan 8.240 nan 0.000 0.529 286 I N -0.145 120.442 120.570 0.028 0.000 2.474 286 I HA 0.626 4.797 4.170 0.001 0.000 0.294 286 I C -2.993 173.254 176.117 0.217 0.000 1.005 286 I CA -3.172 58.176 61.300 0.080 0.000 1.113 286 I CB 1.725 39.708 38.000 -0.028 0.000 1.289 286 I HN -0.263 nan 8.210 nan 0.000 0.436 287 P HA 0.145 nan 4.420 nan 0.000 0.262 287 P C 0.900 178.316 177.300 0.193 0.000 1.199 287 P CA 0.913 64.110 63.100 0.161 0.000 0.763 287 P CB 0.638 32.406 31.700 0.113 0.000 0.790 288 G N 1.400 110.270 108.800 0.115 0.000 2.212 288 G HA2 -0.239 3.721 3.960 0.001 0.000 0.266 288 G HA3 -0.239 3.721 3.960 0.001 0.000 0.266 288 G C -0.400 174.468 174.900 -0.052 0.000 0.978 288 G CA -0.540 44.568 45.100 0.013 0.000 0.632 288 G HN 0.388 nan 8.290 nan 0.000 0.537 289 W N 1.664 122.977 121.300 0.023 0.000 2.316 289 W HA 0.594 5.255 4.660 0.001 0.000 0.311 289 W C 0.889 177.421 176.519 0.022 0.000 1.217 289 W CA 0.294 57.655 57.345 0.026 0.000 1.199 289 W CB 1.094 30.569 29.460 0.025 0.000 1.202 289 W HN 0.415 nan 8.180 nan 0.000 0.528 290 T N 0.220 114.897 114.554 0.205 0.000 2.912 290 T HA 0.899 5.250 4.350 0.001 0.000 0.288 290 T C -0.690 174.102 174.700 0.153 0.000 1.030 290 T CA -1.009 61.176 62.100 0.141 0.000 1.020 290 T CB 1.950 70.863 68.868 0.074 0.000 1.056 290 T HN 0.603 nan 8.240 nan 0.000 0.480 291 A N 2.036 124.928 122.820 0.120 0.000 2.371 291 A HA 0.766 5.087 4.320 0.001 0.000 0.311 291 A C -0.726 176.913 177.584 0.091 0.000 1.068 291 A CA -0.874 51.231 52.037 0.113 0.000 0.744 291 A CB 1.517 20.579 19.000 0.104 0.000 1.239 291 A HN 0.863 nan 8.150 nan 0.000 0.435 292 Q N 0.413 120.272 119.800 0.099 0.000 2.359 292 Q HA 0.526 4.866 4.340 0.001 0.000 0.274 292 Q C -1.112 174.962 176.000 0.124 0.000 1.074 292 Q CA -0.827 55.038 55.803 0.103 0.000 0.810 292 Q CB 2.944 31.748 28.738 0.110 0.000 1.342 292 Q HN 0.655 nan 8.270 nan 0.000 0.427 293 V N 3.313 123.301 119.914 0.122 0.000 2.498 293 V HA 0.145 4.266 4.120 0.001 0.000 0.279 293 V C 0.166 176.361 176.094 0.169 0.000 1.048 293 V CA 0.302 62.688 62.300 0.144 0.000 0.967 293 V CB 1.156 33.054 31.823 0.126 0.000 0.988 293 V HN 0.809 nan 8.190 nan 0.000 0.473 294 V N 6.033 126.051 119.914 0.173 0.000 2.795 294 V HA 0.496 4.616 4.120 0.001 0.000 0.243 294 V C 1.010 177.173 176.094 0.114 0.000 1.069 294 V CA 1.087 63.487 62.300 0.167 0.000 1.089 294 V CB 0.130 32.051 31.823 0.163 0.000 0.756 294 V HN 1.008 nan 8.190 nan 0.000 0.471 295 G N 0.148 109.032 108.800 0.140 0.000 2.677 295 G HA2 0.503 4.463 3.960 0.001 0.000 0.291 295 G HA3 0.503 4.463 3.960 0.001 0.000 0.291 295 G C -1.243 173.781 174.900 0.206 0.000 1.435 295 G CA 0.370 45.554 45.100 0.139 0.000 0.826 295 G HN 0.131 nan 8.290 nan 0.000 0.491 296 D N -1.090 119.469 120.400 0.265 0.000 2.535 296 D HA 0.234 4.875 4.640 0.001 0.000 0.229 296 D C 0.120 176.477 176.300 0.095 0.000 1.238 296 D CA -0.039 54.058 54.000 0.162 0.000 0.824 296 D CB 1.259 42.126 40.800 0.113 0.000 1.045 296 D HN 0.301 nan 8.370 nan 0.000 0.500 297 D N -0.624 119.822 120.400 0.076 0.000 2.712 297 D HA 0.210 4.851 4.640 0.001 0.000 0.181 297 D C -0.380 175.959 176.300 0.065 0.000 1.434 297 D CA 0.243 54.270 54.000 0.045 0.000 1.446 297 D CB 0.780 41.641 40.800 0.101 0.000 1.609 297 D HN -0.008 nan 8.370 nan 0.000 0.340 298 I N 1.752 122.374 120.570 0.088 0.000 2.509 298 I HA 0.715 4.885 4.170 0.001 0.000 0.293 298 I C -0.604 175.591 176.117 0.131 0.000 1.020 298 I CA -0.986 60.402 61.300 0.147 0.000 1.088 298 I CB 1.422 39.479 38.000 0.094 0.000 1.267 298 I HN 0.155 nan 8.210 nan 0.000 0.430 299 A N 5.864 128.843 122.820 0.266 0.000 2.356 299 A HA 0.702 5.022 4.320 0.001 0.000 0.310 299 A C -1.887 176.052 177.584 0.593 0.000 1.075 299 A CA -0.422 51.790 52.037 0.291 0.000 0.746 299 A CB 0.982 20.125 19.000 0.238 0.000 1.221 299 A HN 0.608 nan 8.150 nan 0.000 0.443 300 W N 2.832 124.246 121.300 0.191 0.000 2.329 300 W HA 0.635 5.296 4.660 0.001 0.000 0.312 300 W C -1.000 175.630 176.519 0.186 0.000 1.054 300 W CA -0.814 56.688 57.345 0.262 0.000 1.245 300 W CB 1.121 30.641 29.460 0.100 0.000 1.255 300 W HN 0.453 nan 8.180 nan 0.000 0.436 301 L N 3.265 124.753 121.223 0.443 0.000 2.333 301 L HA 0.693 5.034 4.340 0.001 0.000 0.269 301 L C -0.080 176.941 176.870 0.250 0.000 1.010 301 L CA -1.015 53.988 54.840 0.272 0.000 0.818 301 L CB 1.800 43.977 42.059 0.196 0.000 1.306 301 L HN 0.203 nan 8.230 nan 0.000 0.430 302 K N 1.484 121.989 120.400 0.174 0.000 2.543 302 K HA 0.471 4.792 4.320 0.001 0.000 0.255 302 K C -1.798 174.869 176.600 0.111 0.000 0.934 302 K CA -0.839 55.529 56.287 0.135 0.000 0.810 302 K CB 1.934 34.460 32.500 0.043 0.000 1.315 302 K HN 0.376 nan 8.250 nan 0.000 0.433 303 L N 4.337 125.600 121.223 0.066 0.000 2.410 303 L HA 0.307 4.648 4.340 0.001 0.000 0.273 303 L C 0.457 177.340 176.870 0.021 0.000 1.152 303 L CA 0.731 55.599 54.840 0.047 0.000 0.855 303 L CB 0.542 42.595 42.059 -0.010 0.000 1.129 303 L HN 0.687 nan 8.230 nan 0.000 0.463 304 R N 2.314 122.832 120.500 0.029 0.000 2.948 304 R HA 0.324 4.665 4.340 0.001 0.000 0.216 304 R C 0.912 177.189 176.300 -0.038 0.000 1.557 304 R CA -0.656 55.378 56.100 -0.109 0.000 0.970 304 R CB 0.263 30.280 30.300 -0.472 0.000 2.255 304 R HN 0.514 nan 8.270 nan 0.000 0.527 305 E N 1.092 121.250 120.200 -0.070 0.000 2.051 305 E HA -0.134 4.216 4.350 0.001 0.000 0.189 305 E C 0.599 177.219 176.600 0.033 0.000 0.979 305 E CA 1.379 57.766 56.400 -0.022 0.000 0.803 305 E CB 0.033 29.709 29.700 -0.040 0.000 0.761 305 E HN 0.541 nan 8.360 nan 0.000 0.451 306 D N -0.660 119.799 120.400 0.098 0.000 2.462 306 D HA 0.256 4.896 4.640 0.001 0.000 0.221 306 D C 0.697 177.098 176.300 0.168 0.000 1.173 306 D CA 0.195 54.270 54.000 0.125 0.000 0.831 306 D CB 0.576 41.450 40.800 0.122 0.000 1.001 306 D HN 0.146 nan 8.370 nan 0.000 0.499 307 G N -0.090 108.841 108.800 0.218 0.000 2.341 307 G HA2 0.290 4.251 3.960 0.001 0.000 0.293 307 G HA3 0.290 4.251 3.960 0.001 0.000 0.293 307 G C -2.260 172.785 174.900 0.243 0.000 1.298 307 G CA -0.999 44.200 45.100 0.165 0.000 0.868 307 G HN 0.144 nan 8.290 nan 0.000 0.540 308 L N 0.604 121.878 121.223 0.086 0.000 2.264 308 L HA 0.768 5.109 4.340 0.001 0.000 0.289 308 L C -1.092 175.807 176.870 0.049 0.000 1.044 308 L CA -0.733 54.167 54.840 0.102 0.000 0.807 308 L CB 0.457 42.517 42.059 0.001 0.000 1.192 308 L HN 0.508 nan 8.230 nan 0.000 0.425 309 Y N 3.587 123.885 120.300 -0.004 0.000 2.377 309 Y HA 0.723 5.274 4.550 0.001 0.000 0.339 309 Y C 0.227 176.136 175.900 0.014 0.000 1.011 309 Y CA -0.748 57.342 58.100 -0.017 0.000 1.093 309 Y CB 1.995 40.424 38.460 -0.051 0.000 1.201 309 Y HN 0.676 nan 8.280 nan 0.000 0.455 310 A N 3.214 126.100 122.820 0.110 0.000 2.318 310 A HA 0.737 5.058 4.320 0.001 0.000 0.317 310 A C -1.226 176.411 177.584 0.087 0.000 1.159 310 A CA -0.650 51.458 52.037 0.119 0.000 0.799 310 A CB 0.585 19.643 19.000 0.097 0.000 1.194 310 A HN 0.521 nan 8.150 nan 0.000 0.479 311 V N 2.566 122.550 119.914 0.117 0.000 2.539 311 V HA 0.240 4.361 4.120 0.001 0.000 0.292 311 V C 0.377 176.478 176.094 0.011 0.000 1.045 311 V CA -0.943 61.390 62.300 0.055 0.000 0.945 311 V CB 1.578 33.431 31.823 0.049 0.000 0.993 311 V HN 0.898 nan 8.190 nan 0.000 0.464 312 N N 6.355 125.045 118.700 -0.017 0.000 2.399 312 N HA 0.193 4.934 4.740 0.001 0.000 0.259 312 N C -1.281 174.084 175.510 -0.243 0.000 1.160 312 N CA -1.917 51.080 53.050 -0.088 0.000 0.946 312 N CB 1.347 39.831 38.487 -0.006 0.000 1.156 312 N HN 0.352 nan 8.380 nan 0.000 0.489 313 P HA -0.072 nan 4.420 nan 0.000 0.226 313 P C -0.344 176.694 177.300 -0.437 0.000 1.153 313 P CA 0.990 63.618 63.100 -0.787 0.000 0.777 313 P CB 0.504 31.216 31.700 -1.646 0.000 0.794 314 E N -0.110 119.912 120.200 -0.298 0.000 2.283 314 E HA 0.159 4.510 4.350 0.001 0.000 0.267 314 E C 0.166 176.659 176.600 -0.179 0.000 1.045 314 E CA -0.446 55.821 56.400 -0.222 0.000 0.884 314 E CB 0.514 30.097 29.700 -0.194 0.000 1.106 314 E HN -0.135 nan 8.360 nan 0.000 0.408 315 N N -0.242 118.348 118.700 -0.184 0.000 2.177 315 N HA 0.176 4.917 4.740 0.001 0.000 0.218 315 N C -0.956 174.371 175.510 -0.306 0.000 1.182 315 N CA -0.103 52.853 53.050 -0.157 0.000 0.882 315 N CB 1.139 39.583 38.487 -0.073 0.000 1.052 315 N HN 0.512 nan 8.380 nan 0.000 0.519 316 G N -0.856 107.711 108.800 -0.389 0.000 2.673 316 G HA2 0.462 4.422 3.960 0.001 0.000 0.292 316 G HA3 0.462 4.422 3.960 0.001 0.000 0.292 316 G C -1.562 173.115 174.900 -0.372 0.000 1.450 316 G CA -0.682 44.198 45.100 -0.366 0.000 0.837 316 G HN 0.043 nan 8.290 nan 0.000 0.505 317 F N 0.072 120.015 119.950 -0.011 0.000 2.399 317 F HA 0.662 5.190 4.527 0.001 0.000 0.334 317 F C -0.186 175.673 175.800 0.098 0.000 1.097 317 F CA -0.642 57.386 58.000 0.046 0.000 1.076 317 F CB 2.152 41.213 39.000 0.102 0.000 1.162 317 F HN 0.307 nan 8.300 nan 0.000 0.495 318 F N 2.460 122.423 119.950 0.022 0.000 2.766 318 F HA 0.542 5.070 4.527 0.001 0.000 0.355 318 F C -0.235 175.391 175.800 -0.289 0.000 1.434 318 F CA -0.735 57.166 58.000 -0.165 0.000 1.139 318 F CB 0.182 39.114 39.000 -0.113 0.000 1.816 318 F HN 0.400 nan 8.300 nan 0.000 0.600 319 G N 0.994 109.310 108.800 -0.807 0.000 2.537 319 G HA2 0.549 4.510 3.960 0.001 0.000 0.323 319 G HA3 0.549 4.510 3.960 0.001 0.000 0.323 319 G C -1.306 173.012 174.900 -0.969 0.000 1.207 319 G CA -0.819 43.831 45.100 -0.752 0.000 0.976 319 G HN 0.115 nan 8.290 nan 0.000 0.487 320 V N 1.129 120.698 119.914 -0.574 0.000 2.488 320 V HA 0.369 4.489 4.120 0.001 0.000 0.277 320 V C 1.314 177.100 176.094 -0.513 0.000 1.046 320 V CA 0.524 62.539 62.300 -0.475 0.000 0.986 320 V CB 0.967 32.624 31.823 -0.275 0.000 0.989 320 V HN 0.980 nan 8.190 nan 0.000 0.475 321 A N 7.722 130.175 122.820 -0.612 0.000 1.903 321 A HA 0.225 4.546 4.320 0.001 0.000 0.213 321 A C -1.475 175.439 177.584 -1.117 0.000 1.185 321 A CA 0.486 51.959 52.037 -0.940 0.000 0.628 321 A CB -0.920 17.397 19.000 -1.139 0.000 0.830 321 A HN 0.701 nan 8.150 nan 0.000 0.446 322 P HA 0.329 nan 4.420 nan 0.000 0.268 322 P C 0.707 177.844 177.300 -0.272 0.000 1.204 322 P CA 1.662 64.496 63.100 -0.444 0.000 0.768 322 P CB 0.738 32.300 31.700 -0.230 0.000 0.842 323 G N 1.297 110.021 108.800 -0.126 0.000 2.201 323 G HA2 -0.172 3.789 3.960 0.001 0.000 0.212 323 G HA3 -0.172 3.789 3.960 0.001 0.000 0.212 323 G C 0.119 174.996 174.900 -0.038 0.000 0.994 323 G CA -0.242 44.827 45.100 -0.052 0.000 0.644 323 G HN 0.574 nan 8.290 nan 0.000 0.508 324 T N 2.707 117.247 114.554 -0.023 0.000 2.743 324 T HA 0.585 4.936 4.350 0.001 0.000 0.293 324 T C 0.136 174.954 174.700 0.196 0.000 0.945 324 T CA 0.260 62.376 62.100 0.026 0.000 1.030 324 T CB 1.207 70.033 68.868 -0.069 0.000 0.912 324 T HN 0.829 nan 8.240 nan 0.000 0.483 325 N N 1.807 120.493 118.700 -0.024 0.000 3.039 325 N HA 0.170 4.911 4.740 0.001 0.000 0.257 325 N C -0.266 175.137 175.510 -0.178 0.000 1.497 325 N CA -0.926 52.079 53.050 -0.075 0.000 0.861 325 N CB 0.610 39.074 38.487 -0.040 0.000 1.479 325 N HN 0.298 nan 8.380 nan 0.000 0.547 326 Y N -0.223 120.033 120.300 -0.074 0.000 2.457 326 Y HA 0.211 4.761 4.550 0.001 0.000 0.292 326 Y C 2.403 178.233 175.900 -0.116 0.000 1.125 326 Y CA 1.452 59.502 58.100 -0.083 0.000 1.254 326 Y CB -0.126 38.295 38.460 -0.066 0.000 1.012 326 Y HN 0.769 nan 8.280 nan 0.000 0.555 327 A N -0.511 122.297 122.820 -0.020 0.000 1.929 327 A HA -0.151 4.169 4.320 0.001 0.000 0.216 327 A C 2.322 179.718 177.584 -0.314 0.000 1.176 327 A CA 1.864 53.814 52.037 -0.145 0.000 0.628 327 A CB -0.755 18.148 19.000 -0.161 0.000 0.816 327 A HN 0.434 nan 8.150 nan 0.000 0.444 328 S N -1.674 113.784 115.700 -0.405 0.000 2.427 328 S HA 0.094 4.565 4.470 0.001 0.000 0.224 328 S C 0.738 175.153 174.600 -0.309 0.000 1.047 328 S CA 0.719 58.522 58.200 -0.663 0.000 0.953 328 S CB -0.032 62.660 63.200 -0.846 0.000 0.824 328 S HN 0.357 nan 8.310 nan 0.000 0.502 329 N N 1.359 119.933 118.700 -0.211 0.000 2.697 329 N HA 0.367 5.108 4.740 0.001 0.000 0.253 329 N C -2.733 172.668 175.510 -0.181 0.000 1.604 329 N CA -1.649 51.312 53.050 -0.149 0.000 0.772 329 N CB 1.408 39.824 38.487 -0.119 0.000 1.267 329 N HN 0.062 nan 8.380 nan 0.000 0.510 330 P HA -0.069 nan 4.420 nan 0.000 0.218 330 P C 1.727 178.953 177.300 -0.122 0.000 1.148 330 P CA 0.574 63.597 63.100 -0.129 0.000 0.822 330 P CB 0.650 32.386 31.700 0.060 0.000 0.784 331 I N -0.035 120.479 120.570 -0.094 0.000 2.226 331 I HA -0.194 3.976 4.170 0.001 0.000 0.245 331 I C 2.338 178.360 176.117 -0.159 0.000 1.100 331 I CA 1.525 62.770 61.300 -0.091 0.000 1.374 331 I CB -1.752 36.202 38.000 -0.076 0.000 1.057 331 I HN -0.063 nan 8.210 nan 0.000 0.413 332 A N 0.800 123.493 122.820 -0.212 0.000 1.883 332 A HA -0.234 4.086 4.320 0.001 0.000 0.217 332 A C 2.304 179.698 177.584 -0.317 0.000 1.186 332 A CA 1.737 53.603 52.037 -0.285 0.000 0.624 332 A CB -0.474 18.376 19.000 -0.250 0.000 0.822 332 A HN 0.255 nan 8.150 nan 0.000 0.444 333 M N -0.495 118.897 119.600 -0.346 0.000 2.099 333 M HA -0.100 4.380 4.480 0.001 0.000 0.262 333 M C 1.962 178.125 176.300 -0.227 0.000 1.067 333 M CA 1.793 56.828 55.300 -0.443 0.000 1.124 333 M CB -1.254 30.665 32.600 -1.135 0.000 1.353 333 M HN 0.395 nan 8.290 nan 0.000 0.410 334 K N -0.551 119.778 120.400 -0.119 0.000 2.097 334 K HA -0.069 4.252 4.320 0.001 0.000 0.206 334 K C 1.910 178.501 176.600 -0.015 0.000 1.049 334 K CA 1.650 57.944 56.287 0.012 0.000 0.933 334 K CB -0.478 32.058 32.500 0.060 0.000 0.717 334 K HN 0.304 nan 8.250 nan 0.000 0.442 335 T N 1.192 115.711 114.554 -0.059 0.000 2.737 335 T HA -0.177 4.174 4.350 0.001 0.000 0.269 335 T C 1.677 176.353 174.700 -0.039 0.000 1.040 335 T CA 1.475 63.552 62.100 -0.039 0.000 1.142 335 T CB -0.119 68.716 68.868 -0.054 0.000 0.861 335 T HN 0.215 nan 8.240 nan 0.000 0.456 336 M N 0.030 119.586 119.600 -0.074 0.000 2.510 336 M HA 0.130 4.610 4.480 0.001 0.000 0.256 336 M C 2.153 178.481 176.300 0.047 0.000 1.132 336 M CA 0.569 55.851 55.300 -0.031 0.000 1.105 336 M CB -0.000 32.570 32.600 -0.050 0.000 1.375 336 M HN 0.230 nan 8.290 nan 0.000 0.477 337 E N 0.791 121.019 120.200 0.046 0.000 2.153 337 E HA -0.163 4.187 4.350 0.001 0.000 0.194 337 E C -0.801 175.837 176.600 0.064 0.000 0.988 337 E CA 1.040 57.485 56.400 0.076 0.000 0.811 337 E CB -0.741 29.016 29.700 0.095 0.000 0.746 337 E HN 0.417 nan 8.360 nan 0.000 0.466 338 P HA 0.003 nan 4.420 nan 0.000 0.230 338 P C 0.444 177.773 177.300 0.048 0.000 1.158 338 P CA 1.241 64.366 63.100 0.040 0.000 0.769 338 P CB 0.263 31.979 31.700 0.026 0.000 0.807 339 G N -0.128 108.713 108.800 0.067 0.000 2.466 339 G HA2 -0.233 3.728 3.960 0.001 0.000 0.218 339 G HA3 -0.233 3.728 3.960 0.001 0.000 0.218 339 G C -0.397 174.542 174.900 0.066 0.000 1.237 339 G CA -0.159 44.996 45.100 0.092 0.000 0.954 339 G HN 0.130 nan 8.290 nan 0.000 0.580 340 N N -0.569 118.182 118.700 0.085 0.000 2.693 340 N HA -0.180 4.561 4.740 0.001 0.000 0.249 340 N C 0.272 175.814 175.510 0.053 0.000 1.119 340 N CA 1.946 55.021 53.050 0.042 0.000 0.717 340 N CB -1.807 36.626 38.487 -0.090 0.000 1.071 340 N HN 1.115 nan 8.380 nan 0.000 0.555 341 T N 0.975 115.585 114.554 0.094 0.000 2.859 341 T HA 0.554 4.904 4.350 0.001 0.000 0.281 341 T C 0.144 174.893 174.700 0.082 0.000 1.005 341 T CA -0.609 61.450 62.100 -0.068 0.000 1.025 341 T CB 2.399 71.028 68.868 -0.398 0.000 0.977 341 T HN 0.103 nan 8.240 nan 0.000 0.458 342 L N 3.696 124.969 121.223 0.083 0.000 2.294 342 L HA 0.602 4.942 4.340 0.001 0.000 0.283 342 L C -1.548 175.406 176.870 0.139 0.000 1.015 342 L CA -0.599 54.397 54.840 0.261 0.000 0.831 342 L CB -0.083 42.143 42.059 0.278 0.000 1.217 342 L HN 0.532 nan 8.230 nan 0.000 0.420 343 F N 2.291 122.447 119.950 0.344 0.000 2.425 343 F HA 0.647 5.175 4.527 0.001 0.000 0.331 343 F C 0.565 176.528 175.800 0.272 0.000 1.085 343 F CA -0.451 57.725 58.000 0.292 0.000 1.028 343 F CB 2.077 41.255 39.000 0.296 0.000 1.177 343 F HN 0.298 nan 8.300 nan 0.000 0.487 344 T N 2.815 117.601 114.554 0.387 0.000 2.847 344 T HA 0.257 4.608 4.350 0.001 0.000 0.291 344 T C -0.487 174.307 174.700 0.158 0.000 0.998 344 T CA -0.824 61.428 62.100 0.254 0.000 0.967 344 T CB 0.660 69.677 68.868 0.249 0.000 0.954 344 T HN 0.629 nan 8.240 nan 0.000 0.441 345 N N 0.084 118.881 118.700 0.161 0.000 2.829 345 N HA -0.137 4.603 4.740 0.001 0.000 0.250 345 N C 0.233 175.835 175.510 0.153 0.000 1.090 345 N CA 1.077 54.216 53.050 0.148 0.000 0.781 345 N CB -1.982 36.420 38.487 -0.141 0.000 1.124 345 N HN 0.705 nan 8.380 nan 0.000 0.559 346 V N -2.750 117.290 119.914 0.211 0.000 3.403 346 V HA 0.892 5.012 4.120 0.001 0.000 0.305 346 V C 1.036 177.261 176.094 0.220 0.000 1.060 346 V CA -0.203 62.233 62.300 0.227 0.000 1.053 346 V CB 1.282 33.298 31.823 0.321 0.000 1.198 346 V HN 0.306 nan 8.190 nan 0.000 0.447 347 A N 1.252 124.179 122.820 0.178 0.000 2.242 347 A HA 0.805 5.125 4.320 0.001 0.000 0.304 347 A C -0.457 177.156 177.584 0.048 0.000 1.100 347 A CA -0.804 51.299 52.037 0.110 0.000 0.860 347 A CB 0.936 19.993 19.000 0.094 0.000 1.168 347 A HN 1.273 nan 8.150 nan 0.000 0.503 348 L N 1.147 122.369 121.223 -0.002 0.000 2.470 348 L HA 0.441 4.782 4.340 0.001 0.000 0.268 348 L C 0.239 177.079 176.870 -0.050 0.000 0.964 348 L CA -0.390 54.439 54.840 -0.018 0.000 0.839 348 L CB 1.887 43.953 42.059 0.012 0.000 1.276 348 L HN 1.071 nan 8.230 nan 0.000 0.403 349 T N -0.424 114.100 114.554 -0.049 0.000 2.788 349 T HA 0.149 4.500 4.350 0.001 0.000 0.287 349 T C 0.684 175.384 174.700 -0.001 0.000 1.007 349 T CA -0.413 61.657 62.100 -0.051 0.000 1.005 349 T CB 1.003 69.842 68.868 -0.048 0.000 1.012 349 T HN 0.559 nan 8.240 nan 0.000 0.530 350 D N 0.496 120.920 120.400 0.041 0.000 2.264 350 D HA -0.032 4.608 4.640 0.001 0.000 0.208 350 D C 1.327 177.651 176.300 0.040 0.000 0.966 350 D CA 1.121 55.171 54.000 0.083 0.000 0.864 350 D CB -0.153 40.711 40.800 0.107 0.000 0.933 350 D HN 0.844 nan 8.370 nan 0.000 0.499 351 D N -1.347 119.064 120.400 0.018 0.000 2.388 351 D HA 0.194 4.835 4.640 0.001 0.000 0.221 351 D C 1.211 177.513 176.300 0.003 0.000 1.133 351 D CA 0.128 54.134 54.000 0.009 0.000 0.831 351 D CB -0.136 40.665 40.800 0.002 0.000 0.962 351 D HN 0.118 nan 8.370 nan 0.000 0.502 352 G N 0.226 109.027 108.800 0.002 0.000 2.132 352 G HA2 -0.244 3.717 3.960 0.001 0.000 0.228 352 G HA3 -0.244 3.717 3.960 0.001 0.000 0.228 352 G C -0.208 174.676 174.900 -0.026 0.000 1.000 352 G CA 0.150 45.247 45.100 -0.005 0.000 0.693 352 G HN 0.543 nan 8.290 nan 0.000 0.515 353 D N -0.275 120.099 120.400 -0.044 0.000 2.549 353 D HA 0.714 5.355 4.640 0.001 0.000 0.270 353 D C 0.909 177.135 176.300 -0.122 0.000 1.181 353 D CA -0.156 53.796 54.000 -0.080 0.000 1.070 353 D CB 1.155 41.910 40.800 -0.075 0.000 1.154 353 D HN 0.463 nan 8.370 nan 0.000 0.602 354 I N -2.268 118.168 120.570 -0.223 0.000 3.133 354 I HA 0.765 4.936 4.170 0.001 0.000 0.311 354 I C -1.016 174.959 176.117 -0.237 0.000 1.072 354 I CA -0.896 60.249 61.300 -0.259 0.000 1.015 354 I CB 1.547 39.245 38.000 -0.504 0.000 1.233 354 I HN 0.421 nan 8.210 nan 0.000 0.473 355 W N 2.351 123.414 121.300 -0.394 0.000 3.248 355 W HA 0.682 5.342 4.660 0.001 0.000 0.311 355 W C -2.494 173.884 176.519 -0.236 0.000 1.258 355 W CA -0.471 56.580 57.345 -0.491 0.000 1.191 355 W CB 1.634 30.879 29.460 -0.359 0.000 1.389 355 W HN 0.780 nan 8.180 nan 0.000 0.561 356 W N 2.732 123.519 121.300 -0.856 0.000 3.167 356 W HA 0.700 5.360 4.660 0.001 0.000 0.324 356 W C -0.806 174.673 176.519 -1.733 0.000 1.230 356 W CA -1.326 55.489 57.345 -0.884 0.000 1.184 356 W CB 0.261 29.451 29.460 -0.449 0.000 1.414 356 W HN 0.276 nan 8.180 nan 0.000 0.551 357 E N 0.854 120.533 120.200 -0.869 0.000 2.467 357 E HA 0.346 4.696 4.350 0.001 0.000 0.264 357 E C 1.314 177.767 176.600 -0.245 0.000 1.020 357 E CA 2.591 58.670 56.400 -0.535 0.000 0.945 357 E CB 0.293 29.947 29.700 -0.078 0.000 0.942 357 E HN 1.073 nan 8.360 nan 0.000 0.449 358 G N 2.134 110.851 108.800 -0.138 0.000 2.184 358 G HA2 -0.362 3.599 3.960 0.001 0.000 0.264 358 G HA3 -0.362 3.599 3.960 0.001 0.000 0.264 358 G C 0.407 175.275 174.900 -0.054 0.000 0.975 358 G CA 0.298 45.375 45.100 -0.038 0.000 0.642 358 G HN 0.434 nan 8.290 nan 0.000 0.536 359 M N 0.744 120.184 119.600 -0.267 0.000 2.250 359 M HA 0.182 4.662 4.480 0.001 0.000 0.325 359 M C 1.467 177.721 176.300 -0.076 0.000 1.084 359 M CA 0.961 56.064 55.300 -0.330 0.000 1.161 359 M CB 0.267 32.348 32.600 -0.865 0.000 1.481 359 M HN 0.232 nan 8.290 nan 0.000 0.449 360 D N 0.980 121.367 120.400 -0.022 0.000 2.183 360 D HA -0.007 4.633 4.640 0.001 0.000 0.203 360 D C 1.153 177.499 176.300 0.076 0.000 0.969 360 D CA 0.624 54.649 54.000 0.042 0.000 0.842 360 D CB -0.364 40.481 40.800 0.076 0.000 0.957 360 D HN 0.807 nan 8.370 nan 0.000 0.484 361 G N 2.075 110.930 108.800 0.091 0.000 2.909 361 G HA2 -0.016 3.945 3.960 0.001 0.000 0.269 361 G HA3 -0.016 3.945 3.960 0.001 0.000 0.269 361 G C 0.182 175.266 174.900 0.306 0.000 0.726 361 G CA -0.360 44.831 45.100 0.152 0.000 2.082 361 G HN 0.253 nan 8.290 nan 0.000 0.588 362 D N 1.345 121.875 120.400 0.216 0.000 2.371 362 D HA -0.036 4.604 4.640 0.001 0.000 0.231 362 D C 0.949 177.324 176.300 0.124 0.000 1.283 362 D CA 0.362 54.496 54.000 0.224 0.000 0.884 362 D CB 0.627 41.504 40.800 0.128 0.000 1.235 362 D HN 0.581 nan 8.370 nan 0.000 0.503 363 A N 1.786 124.668 122.820 0.103 0.000 1.760 363 A HA -0.079 4.242 4.320 0.001 0.000 0.332 363 A C -1.924 175.584 177.584 -0.128 0.000 1.031 363 A CA -0.203 51.827 52.037 -0.012 0.000 1.472 363 A CB -1.611 17.415 19.000 0.043 0.000 0.706 363 A HN 0.483 nan 8.150 nan 0.000 0.234 364 P HA 0.280 nan 4.420 nan 0.000 0.269 364 P C 1.138 178.389 177.300 -0.082 0.000 1.209 364 P CA 0.456 63.414 63.100 -0.237 0.000 0.776 364 P CB 0.822 32.272 31.700 -0.417 0.000 0.876 365 A N 2.180 124.982 122.820 -0.030 0.000 1.933 365 A HA -0.137 4.183 4.320 0.001 0.000 0.218 365 A C 0.921 178.557 177.584 0.087 0.000 1.175 365 A CA 1.500 53.543 52.037 0.010 0.000 0.628 365 A CB -0.758 18.246 19.000 0.007 0.000 0.814 365 A HN 0.715 nan 8.150 nan 0.000 0.444 366 H N -1.434 117.635 119.070 -0.003 0.000 2.865 366 H HA 0.660 5.216 4.556 0.001 0.000 0.362 366 H C -1.943 173.411 175.328 0.044 0.000 1.114 366 H CA -0.717 55.360 56.048 0.049 0.000 1.208 366 H CB 1.106 30.876 29.762 0.013 0.000 1.727 366 H HN 0.171 nan 8.280 nan 0.000 0.534 367 L N 4.269 125.140 121.223 -0.588 0.000 2.327 367 L HA 0.433 4.774 4.340 0.001 0.000 0.258 367 L C -0.449 176.053 176.870 -0.613 0.000 1.024 367 L CA -1.251 53.290 54.840 -0.498 0.000 0.825 367 L CB 2.346 44.205 42.059 -0.333 0.000 1.386 367 L HN 0.463 nan 8.230 nan 0.000 0.417 368 I N 0.931 121.333 120.570 -0.280 0.000 2.365 368 I HA 0.170 4.340 4.170 0.001 0.000 0.291 368 I C -0.099 175.991 176.117 -0.045 0.000 1.004 368 I CA -0.195 61.051 61.300 -0.089 0.000 1.311 368 I CB 1.033 39.032 38.000 -0.003 0.000 1.401 368 I HN 0.540 nan 8.210 nan 0.000 0.491 369 D N 5.483 125.879 120.400 -0.006 0.000 2.423 369 D HA 0.005 4.645 4.640 0.001 0.000 0.255 369 D C 0.869 177.166 176.300 -0.005 0.000 1.174 369 D CA -0.626 53.380 54.000 0.010 0.000 1.008 369 D CB 0.370 41.196 40.800 0.043 0.000 1.101 369 D HN 0.680 nan 8.370 nan 0.000 0.516 370 W N 0.131 121.441 121.300 0.017 0.000 2.721 370 W HA -0.002 4.659 4.660 0.001 0.000 0.245 370 W C 0.675 177.191 176.519 -0.006 0.000 1.276 370 W CA 0.056 57.408 57.345 0.012 0.000 1.342 370 W CB -0.936 28.541 29.460 0.028 0.000 1.135 370 W HN 0.221 nan 8.180 nan 0.000 0.654 371 M N 0.658 119.754 119.600 -0.839 0.000 2.441 371 M HA 0.280 4.760 4.480 0.001 0.000 0.244 371 M C 1.674 177.792 176.300 -0.303 0.000 1.122 371 M CA 1.195 56.063 55.300 -0.719 0.000 1.041 371 M CB 0.128 32.193 32.600 -0.893 0.000 1.438 371 M HN 0.146 nan 8.290 nan 0.000 0.484 372 G N 0.877 109.571 108.800 -0.178 0.000 2.179 372 G HA2 -0.184 3.776 3.960 0.001 0.000 0.220 372 G HA3 -0.184 3.776 3.960 0.001 0.000 0.220 372 G C -0.308 174.567 174.900 -0.043 0.000 0.990 372 G CA -0.485 44.570 45.100 -0.075 0.000 0.646 372 G HN 0.437 nan 8.290 nan 0.000 0.517 373 N N 1.409 120.074 118.700 -0.059 0.000 2.492 373 N HA 0.409 5.149 4.740 0.001 0.000 0.289 373 N C -0.779 174.769 175.510 0.064 0.000 1.133 373 N CA -0.539 52.512 53.050 0.002 0.000 0.961 373 N CB 0.974 39.453 38.487 -0.014 0.000 1.186 373 N HN 0.152 nan 8.380 nan 0.000 0.493 374 D N 0.441 120.916 120.400 0.124 0.000 2.424 374 D HA 0.053 4.693 4.640 0.001 0.000 0.244 374 D C -0.351 176.067 176.300 0.197 0.000 1.134 374 D CA 0.442 54.577 54.000 0.224 0.000 0.881 374 D CB 1.032 42.024 40.800 0.319 0.000 1.191 374 D HN 0.434 nan 8.370 nan 0.000 0.445 375 W N 1.536 122.791 121.300 -0.075 0.000 2.819 375 W HA 0.327 4.988 4.660 0.001 0.000 0.337 375 W C -0.661 175.817 176.519 -0.070 0.000 1.077 375 W CA -0.616 56.690 57.345 -0.065 0.000 1.226 375 W CB 1.716 31.120 29.460 -0.093 0.000 1.419 375 W HN 0.178 nan 8.180 nan 0.000 0.502 376 T N 4.364 118.558 114.554 -0.600 0.000 2.924 376 T HA 0.453 4.804 4.350 0.001 0.000 0.291 376 T C -2.252 171.531 174.700 -1.528 0.000 1.045 376 T CA -2.353 59.368 62.100 -0.632 0.000 1.015 376 T CB 1.907 70.565 68.868 -0.351 0.000 1.103 376 T HN 0.287 nan 8.240 nan 0.000 0.496 377 P HA 0.137 nan 4.420 nan 0.000 0.250 377 P C 0.561 177.581 177.300 -0.467 0.000 1.239 377 P CA 0.508 63.155 63.100 -0.755 0.000 0.756 377 P CB 0.047 31.632 31.700 -0.191 0.000 1.013 378 E N -0.664 119.252 120.200 -0.472 0.000 2.230 378 E HA -0.006 4.345 4.350 0.001 0.000 0.192 378 E C 0.419 176.839 176.600 -0.301 0.000 0.987 378 E CA 0.127 56.349 56.400 -0.297 0.000 0.841 378 E CB 0.035 29.603 29.700 -0.221 0.000 0.783 378 E HN 0.259 nan 8.360 nan 0.000 0.481 379 S N 1.253 116.653 115.700 -0.500 0.000 2.566 379 S HA -0.016 4.454 4.470 0.001 0.000 0.280 379 S C 0.296 174.825 174.600 -0.118 0.000 1.343 379 S CA -0.200 57.804 58.200 -0.326 0.000 1.036 379 S CB 0.607 63.538 63.200 -0.448 0.000 0.866 379 S HN 0.113 nan 8.310 nan 0.000 0.526 380 D N 0.498 120.898 120.400 0.001 0.000 2.398 380 D HA 0.128 4.769 4.640 0.001 0.000 0.210 380 D C -0.115 176.267 176.300 0.136 0.000 1.094 380 D CA 0.217 54.254 54.000 0.061 0.000 0.839 380 D CB 0.361 41.182 40.800 0.036 0.000 0.963 380 D HN 0.597 nan 8.370 nan 0.000 0.506 381 E N 1.001 121.319 120.200 0.197 0.000 2.191 381 E HA 0.232 4.583 4.350 0.001 0.000 0.278 381 E C -0.410 176.467 176.600 0.462 0.000 0.972 381 E CA -0.759 55.805 56.400 0.274 0.000 0.804 381 E CB 1.066 30.914 29.700 0.247 0.000 1.110 381 E HN -0.113 nan 8.360 nan 0.000 0.394 382 N N 1.288 120.202 118.700 0.356 0.000 2.412 382 N HA -0.040 4.700 4.740 0.001 0.000 0.254 382 N C 0.582 176.275 175.510 0.305 0.000 1.232 382 N CA 0.198 53.439 53.050 0.318 0.000 0.880 382 N CB 0.905 39.487 38.487 0.158 0.000 1.076 382 N HN 0.625 nan 8.380 nan 0.000 0.458 383 A N 1.908 124.706 122.820 -0.037 0.000 1.930 383 A HA 0.179 4.500 4.320 0.001 0.000 0.217 383 A C 0.861 178.570 177.584 0.208 0.000 1.175 383 A CA 1.348 53.244 52.037 -0.234 0.000 0.627 383 A CB -0.307 18.202 19.000 -0.818 0.000 0.815 383 A HN 0.694 nan 8.150 nan 0.000 0.443 384 A N -0.661 122.251 122.820 0.153 0.000 2.324 384 A HA 0.532 4.853 4.320 0.001 0.000 0.330 384 A C -0.014 177.511 177.584 -0.099 0.000 1.165 384 A CA -0.547 51.552 52.037 0.104 0.000 0.813 384 A CB 0.107 19.148 19.000 0.070 0.000 1.197 384 A HN 0.503 nan 8.150 nan 0.000 0.484 385 H N 2.443 121.131 119.070 -0.637 0.000 2.771 385 H HA 0.122 4.678 4.556 0.001 0.000 0.364 385 H C -1.884 173.199 175.328 -0.408 0.000 1.133 385 H CA -1.008 54.520 56.048 -0.867 0.000 1.423 385 H CB 1.291 30.159 29.762 -1.490 0.000 1.425 385 H HN 0.292 nan 8.280 nan 0.000 0.606 386 P HA -0.090 nan 4.420 nan 0.000 0.222 386 P C 0.692 177.852 177.300 -0.234 0.000 1.147 386 P CA 1.276 64.152 63.100 -0.374 0.000 0.790 386 P CB 0.214 31.687 31.700 -0.380 0.000 0.780 387 N N -0.808 117.849 118.700 -0.071 0.000 2.322 387 N HA -0.008 4.733 4.740 0.001 0.000 0.194 387 N C -0.334 175.146 175.510 -0.051 0.000 1.126 387 N CA -0.139 52.913 53.050 0.005 0.000 0.845 387 N CB -0.291 38.270 38.487 0.122 0.000 0.976 387 N HN -0.037 nan 8.380 nan 0.000 0.475 388 S N 0.040 115.678 115.700 -0.102 0.000 2.558 388 S HA 0.147 4.618 4.470 0.001 0.000 0.287 388 S C 0.090 174.532 174.600 -0.262 0.000 1.321 388 S CA -0.265 57.848 58.200 -0.145 0.000 1.048 388 S CB 0.833 63.966 63.200 -0.111 0.000 0.844 388 S HN 0.124 nan 8.310 nan 0.000 0.512 389 R N 1.099 121.451 120.500 -0.248 0.000 2.807 389 R HA 0.451 4.791 4.340 0.001 0.000 0.276 389 R C -1.176 174.999 176.300 -0.208 0.000 0.979 389 R CA -0.678 55.128 56.100 -0.490 0.000 0.928 389 R CB 1.380 31.215 30.300 -0.774 0.000 1.191 389 R HN 0.886 nan 8.270 nan 0.000 0.471 390 Y N -2.086 118.086 120.300 -0.214 0.000 2.468 390 Y HA 0.708 5.258 4.550 0.001 0.000 0.342 390 Y C -0.467 175.359 175.900 -0.124 0.000 1.021 390 Y CA -1.450 56.511 58.100 -0.232 0.000 1.079 390 Y CB 1.429 39.698 38.460 -0.320 0.000 1.226 390 Y HN 0.498 nan 8.280 nan 0.000 0.460 391 C N 4.044 123.414 119.300 0.117 0.000 2.396 391 C HA 0.893 5.353 4.460 0.001 0.000 0.321 391 C C -1.221 173.848 174.990 0.131 0.000 1.233 391 C CA -0.571 58.569 59.018 0.205 0.000 1.440 391 C CB 0.343 28.219 27.740 0.227 0.000 2.110 391 C HN 0.942 nan 8.230 nan 0.000 0.473 392 V N 5.954 125.961 119.914 0.155 0.000 2.924 392 V HA 0.727 4.847 4.120 0.001 0.000 0.300 392 V C 0.175 176.285 176.094 0.026 0.000 1.227 392 V CA 0.171 62.516 62.300 0.075 0.000 0.954 392 V CB 1.846 33.721 31.823 0.088 0.000 1.055 392 V HN 1.492 nan 8.190 nan 0.000 0.429 393 A N 6.223 128.999 122.820 -0.073 0.000 2.583 393 A HA 0.130 4.451 4.320 0.001 0.000 0.249 393 A C 1.211 178.674 177.584 -0.202 0.000 1.035 393 A CA 0.910 52.856 52.037 -0.152 0.000 0.777 393 A CB -0.293 18.632 19.000 -0.125 0.000 0.942 393 A HN 0.976 nan 8.150 nan 0.000 0.516 394 I N 1.482 121.747 120.570 -0.507 0.000 2.194 394 I HA -0.275 3.896 4.170 0.001 0.000 0.246 394 I C 1.718 177.633 176.117 -0.337 0.000 1.093 394 I CA 1.633 62.501 61.300 -0.721 0.000 1.355 394 I CB -0.368 36.799 38.000 -1.389 0.000 1.046 394 I HN 0.669 nan 8.210 nan 0.000 0.413 395 D N 0.267 120.546 120.400 -0.201 0.000 2.292 395 D HA -0.278 4.363 4.640 0.001 0.000 0.205 395 D C 2.045 178.366 176.300 0.035 0.000 0.994 395 D CA 1.330 55.358 54.000 0.046 0.000 0.897 395 D CB -0.108 40.719 40.800 0.045 0.000 0.907 395 D HN 0.504 nan 8.370 nan 0.000 0.467 396 Q N -0.726 119.076 119.800 0.004 0.000 2.378 396 Q HA 0.081 4.422 4.340 0.001 0.000 0.216 396 Q C 0.312 176.336 176.000 0.041 0.000 0.892 396 Q CA -0.139 55.676 55.803 0.019 0.000 0.931 396 Q CB 0.421 29.160 28.738 0.002 0.000 1.086 396 Q HN -0.050 nan 8.270 nan 0.000 0.528 397 S N 1.927 117.668 115.700 0.069 0.000 2.546 397 S HA 0.040 4.510 4.470 0.001 0.000 0.290 397 S C -1.519 173.116 174.600 0.058 0.000 1.290 397 S CA -1.086 57.161 58.200 0.078 0.000 1.069 397 S CB 0.869 64.157 63.200 0.147 0.000 0.846 397 S HN 0.291 nan 8.310 nan 0.000 0.495 398 P HA -0.011 nan 4.420 nan 0.000 0.220 398 P C 0.624 177.955 177.300 0.051 0.000 1.148 398 P CA 0.957 64.083 63.100 0.043 0.000 0.803 398 P CB -0.027 31.694 31.700 0.035 0.000 0.782 399 A N -0.569 122.281 122.820 0.050 0.000 2.278 399 A HA 0.467 4.788 4.320 0.001 0.000 0.212 399 A C 1.206 178.841 177.584 0.085 0.000 1.213 399 A CA 0.004 52.075 52.037 0.058 0.000 0.840 399 A CB -0.849 18.174 19.000 0.038 0.000 0.866 399 A HN 0.243 nan 8.150 nan 0.000 0.489 400 A N 0.583 123.462 122.820 0.099 0.000 2.454 400 A HA 0.556 4.876 4.320 0.001 0.000 0.260 400 A C 0.795 178.476 177.584 0.162 0.000 1.106 400 A CA 0.246 52.356 52.037 0.121 0.000 0.780 400 A CB -0.230 18.829 19.000 0.098 0.000 1.044 400 A HN 1.259 nan 8.150 nan 0.000 0.498 401 A N 5.276 128.211 122.820 0.192 0.000 2.492 401 A HA 0.479 4.800 4.320 0.001 0.000 0.254 401 A C -0.838 176.887 177.584 0.235 0.000 1.091 401 A CA -0.955 51.202 52.037 0.201 0.000 0.768 401 A CB -0.145 18.985 19.000 0.217 0.000 1.028 401 A HN 0.681 nan 8.150 nan 0.000 0.498 402 P HA -0.223 nan 4.420 nan 0.000 0.217 402 P C 0.949 178.271 177.300 0.037 0.000 1.148 402 P CA 1.574 64.735 63.100 0.103 0.000 0.828 402 P CB 0.112 31.844 31.700 0.053 0.000 0.783 403 E N 0.354 120.585 120.200 0.052 0.000 2.502 403 E HA -0.125 4.225 4.350 0.001 0.000 0.194 403 E C 1.699 178.278 176.600 -0.036 0.000 1.062 403 E CA 0.124 56.508 56.400 -0.027 0.000 0.867 403 E CB -1.178 28.512 29.700 -0.017 0.000 0.888 403 E HN 0.335 nan 8.360 nan 0.000 0.510 404 F N 1.781 121.722 119.950 -0.017 0.000 2.373 404 F HA -0.044 4.483 4.527 0.001 0.000 0.300 404 F C 1.362 177.131 175.800 -0.052 0.000 1.080 404 F CA 0.961 58.941 58.000 -0.034 0.000 1.417 404 F CB -0.429 38.556 39.000 -0.026 0.000 1.070 404 F HN -0.117 nan 8.300 nan 0.000 0.546 405 N N 0.511 118.633 118.700 -0.963 0.000 2.280 405 N HA -0.011 4.730 4.740 0.001 0.000 0.192 405 N C -0.811 174.507 175.510 -0.321 0.000 1.109 405 N CA 0.131 52.725 53.050 -0.760 0.000 0.855 405 N CB -0.297 37.727 38.487 -0.771 0.000 0.974 405 N HN 0.303 nan 8.380 nan 0.000 0.482 406 D N 0.399 120.653 120.400 -0.242 0.000 2.351 406 D HA -0.020 4.620 4.640 0.001 0.000 0.251 406 D C 1.604 177.793 176.300 -0.186 0.000 1.137 406 D CA -0.400 53.467 54.000 -0.223 0.000 0.879 406 D CB 0.388 41.027 40.800 -0.268 0.000 1.181 406 D HN 0.291 nan 8.370 nan 0.000 0.448 407 W N 3.363 124.609 121.300 -0.090 0.000 2.595 407 W HA -0.076 4.584 4.660 0.001 0.000 0.257 407 W C 0.749 177.231 176.519 -0.062 0.000 1.267 407 W CA 0.353 57.654 57.345 -0.074 0.000 1.300 407 W CB -0.341 29.075 29.460 -0.072 0.000 1.120 407 W HN 0.344 nan 8.180 nan 0.000 0.618 408 E N 1.330 121.021 120.200 -0.848 0.000 2.385 408 E HA 0.285 4.636 4.350 0.001 0.000 0.194 408 E C 1.295 177.730 176.600 -0.274 0.000 1.013 408 E CA 1.032 56.992 56.400 -0.734 0.000 0.866 408 E CB -0.556 28.460 29.700 -1.140 0.000 0.832 408 E HN 0.190 nan 8.360 nan 0.000 0.500 409 G N 0.842 109.539 108.800 -0.172 0.000 2.685 409 G HA2 -0.157 3.803 3.960 0.001 0.000 0.387 409 G HA3 -0.157 3.803 3.960 0.001 0.000 0.387 409 G C -0.312 174.592 174.900 0.006 0.000 1.324 409 G CA -0.252 44.839 45.100 -0.016 0.000 0.878 409 G HN 0.701 nan 8.290 nan 0.000 0.527 410 V N -2.663 117.194 119.914 -0.096 0.000 2.513 410 V HA 0.821 4.941 4.120 0.001 0.000 0.299 410 V C 0.584 176.381 176.094 -0.494 0.000 1.035 410 V CA -0.865 61.199 62.300 -0.393 0.000 0.889 410 V CB 1.802 33.127 31.823 -0.829 0.000 0.988 410 V HN 0.987 nan 8.190 nan 0.000 0.440 411 K N 4.258 124.198 120.400 -0.767 0.000 2.412 411 K HA 0.279 4.600 4.320 0.001 0.000 0.284 411 K C -0.481 175.920 176.600 -0.333 0.000 1.046 411 K CA -0.505 55.187 56.287 -0.991 0.000 0.999 411 K CB 0.429 32.353 32.500 -0.960 0.000 0.941 411 K HN 0.678 nan 8.250 nan 0.000 0.474 412 I N 4.734 125.163 120.570 -0.236 0.000 2.416 412 I HA -0.007 4.163 4.170 0.001 0.000 0.288 412 I C 0.953 177.096 176.117 0.043 0.000 1.051 412 I CA 0.244 61.537 61.300 -0.011 0.000 1.375 412 I CB 1.078 39.101 38.000 0.037 0.000 1.407 412 I HN 0.721 nan 8.210 nan 0.000 0.516 413 D N 4.321 124.793 120.400 0.121 0.000 2.431 413 D HA 0.257 4.897 4.640 0.001 0.000 0.227 413 D C 0.487 176.899 176.300 0.186 0.000 1.030 413 D CA 0.565 54.661 54.000 0.161 0.000 0.897 413 D CB 1.305 42.259 40.800 0.257 0.000 1.058 413 D HN 0.599 nan 8.370 nan 0.000 0.500 414 A N 0.515 123.438 122.820 0.173 0.000 2.572 414 A HA 0.666 4.987 4.320 0.001 0.000 0.295 414 A C -1.303 176.375 177.584 0.157 0.000 1.072 414 A CA -0.563 51.607 52.037 0.221 0.000 0.691 414 A CB 1.546 20.651 19.000 0.175 0.000 1.291 414 A HN -0.003 nan 8.150 nan 0.000 0.404 415 I N 1.515 122.184 120.570 0.165 0.000 2.433 415 I HA 0.412 4.582 4.170 0.001 0.000 0.292 415 I C -1.236 174.843 176.117 -0.065 0.000 1.001 415 I CA -0.792 60.506 61.300 -0.003 0.000 1.119 415 I CB 1.729 39.691 38.000 -0.064 0.000 1.289 415 I HN 0.381 nan 8.210 nan 0.000 0.438 416 L N 6.355 127.470 121.223 -0.179 0.000 2.329 416 L HA 0.534 4.875 4.340 0.001 0.000 0.279 416 L C -0.755 175.936 176.870 -0.298 0.000 1.014 416 L CA -0.201 54.573 54.840 -0.110 0.000 0.814 416 L CB 1.193 43.239 42.059 -0.021 0.000 1.257 416 L HN 0.328 nan 8.230 nan 0.000 0.424 417 F N 0.694 120.682 119.950 0.064 0.000 2.495 417 F HA 0.775 5.302 4.527 0.001 0.000 0.327 417 F C 0.627 176.517 175.800 0.150 0.000 1.103 417 F CA -0.669 57.360 58.000 0.049 0.000 0.949 417 F CB 2.457 41.441 39.000 -0.027 0.000 1.142 417 F HN 0.486 nan 8.300 nan 0.000 0.457 418 G N 1.049 110.141 108.800 0.487 0.000 2.746 418 G HA2 0.574 4.534 3.960 0.001 0.000 0.297 418 G HA3 0.574 4.534 3.960 0.001 0.000 0.297 418 G C -1.520 173.437 174.900 0.096 0.000 1.426 418 G CA -0.727 44.486 45.100 0.189 0.000 0.989 418 G HN 0.929 nan 8.290 nan 0.000 0.520 419 G N -0.107 108.663 108.800 -0.051 0.000 2.630 419 G HA2 0.624 4.584 3.960 0.001 0.000 0.296 419 G HA3 0.624 4.584 3.960 0.001 0.000 0.296 419 G C -0.788 174.049 174.900 -0.106 0.000 1.285 419 G CA -1.020 44.032 45.100 -0.080 0.000 0.958 419 G HN 0.585 nan 8.290 nan 0.000 0.479 420 R N 1.158 121.552 120.500 -0.177 0.000 2.308 420 R HA 0.305 4.646 4.340 0.001 0.000 0.325 420 R C -0.358 175.871 176.300 -0.118 0.000 1.161 420 R CA -0.324 55.640 56.100 -0.226 0.000 1.022 420 R CB 0.468 30.430 30.300 -0.564 0.000 1.091 420 R HN 0.145 nan 8.270 nan 0.000 0.497 421 R N 1.757 122.247 120.500 -0.015 0.000 2.393 421 R HA 0.251 4.591 4.340 0.001 0.000 0.315 421 R C 0.371 176.662 176.300 -0.015 0.000 0.952 421 R CA -0.443 55.618 56.100 -0.065 0.000 0.842 421 R CB 1.864 32.093 30.300 -0.119 0.000 1.163 421 R HN 0.600 nan 8.270 nan 0.000 0.450 422 A N 2.242 125.027 122.820 -0.058 0.000 2.067 422 A HA -0.129 4.191 4.320 0.001 0.000 0.219 422 A C 0.349 177.886 177.584 -0.077 0.000 1.158 422 A CA 1.534 53.527 52.037 -0.073 0.000 0.661 422 A CB -0.301 18.632 19.000 -0.112 0.000 0.801 422 A HN 0.795 nan 8.150 nan 0.000 0.452 423 D N -6.280 114.064 120.400 -0.093 0.000 2.652 423 D HA 0.522 5.162 4.640 0.001 0.000 0.285 423 D C 0.462 176.683 176.300 -0.132 0.000 1.173 423 D CA 0.284 54.226 54.000 -0.096 0.000 0.981 423 D CB 0.468 41.207 40.800 -0.102 0.000 1.440 423 D HN -0.042 nan 8.370 nan 0.000 0.485 424 T N -1.856 112.623 114.554 -0.124 0.000 12.892 424 T HA -0.195 4.156 4.350 0.001 0.000 0.418 424 T C 0.516 175.204 174.700 -0.019 0.000 1.450 424 T CA 1.415 63.389 62.100 -0.211 0.000 2.382 424 T CB -1.563 66.960 68.868 -0.575 0.000 2.816 424 T HN 0.548 nan 8.240 nan 0.000 0.702 425 V N 5.326 125.208 119.914 -0.054 0.000 2.432 425 V HA 0.376 4.496 4.120 0.001 0.000 0.271 425 V C -2.015 174.124 176.094 0.074 0.000 1.046 425 V CA -1.673 60.675 62.300 0.081 0.000 0.945 425 V CB 1.090 32.906 31.823 -0.011 0.000 0.992 425 V HN 0.265 nan 8.190 nan 0.000 0.471 426 P HA 0.014 nan 4.420 nan 0.000 0.269 426 P C 0.846 178.101 177.300 -0.074 0.000 1.217 426 P CA -0.274 62.828 63.100 0.002 0.000 0.783 426 P CB 0.611 32.301 31.700 -0.015 0.000 0.898 427 L N 3.181 124.318 121.223 -0.143 0.000 2.021 427 L HA -0.088 4.252 4.340 0.001 0.000 0.215 427 L C 0.567 177.299 176.870 -0.229 0.000 1.074 427 L CA 2.130 56.832 54.840 -0.230 0.000 0.760 427 L CB -0.161 41.657 42.059 -0.400 0.000 0.889 427 L HN 0.249 nan 8.230 nan 0.000 0.433 428 V N -1.593 118.173 119.914 -0.247 0.000 2.924 428 V HA 0.572 4.692 4.120 0.001 0.000 0.300 428 V C -1.089 174.910 176.094 -0.158 0.000 1.227 428 V CA 0.218 62.418 62.300 -0.166 0.000 0.954 428 V CB 2.005 33.708 31.823 -0.200 0.000 1.055 428 V HN 0.354 nan 8.190 nan 0.000 0.429 429 T N 4.729 119.321 114.554 0.063 0.000 2.982 429 T HA 0.474 4.824 4.350 0.001 0.000 0.321 429 T C -1.305 173.503 174.700 0.180 0.000 1.229 429 T CA -0.349 61.803 62.100 0.086 0.000 1.044 429 T CB 1.910 70.769 68.868 -0.015 0.000 1.184 429 T HN 1.101 nan 8.240 nan 0.000 0.477 430 Q N 2.966 122.867 119.800 0.168 0.000 2.241 430 Q HA 0.540 4.881 4.340 0.001 0.000 0.254 430 Q C 0.137 175.997 176.000 -0.233 0.000 0.917 430 Q CA -0.632 55.019 55.803 -0.252 0.000 0.919 430 Q CB 1.234 29.773 28.738 -0.331 0.000 1.237 430 Q HN 0.902 nan 8.270 nan 0.000 0.434 431 T N 0.450 114.817 114.554 -0.312 0.000 2.816 431 T HA 0.180 4.530 4.350 0.001 0.000 0.282 431 T C 0.848 175.605 174.700 0.095 0.000 0.993 431 T CA -0.267 61.686 62.100 -0.246 0.000 0.994 431 T CB 0.362 68.959 68.868 -0.452 0.000 1.025 431 T HN 0.685 nan 8.240 nan 0.000 0.529 432 Y N 0.791 121.230 120.300 0.231 0.000 2.337 432 Y HA 0.100 4.650 4.550 0.001 0.000 0.293 432 Y C 1.416 177.423 175.900 0.178 0.000 1.123 432 Y CA 0.094 58.305 58.100 0.186 0.000 1.201 432 Y CB 0.271 38.799 38.460 0.114 0.000 1.011 432 Y HN 0.832 nan 8.280 nan 0.000 0.545 433 D N -3.622 116.998 120.400 0.367 0.000 2.879 433 D HA -0.153 4.487 4.640 0.001 0.000 0.346 433 D C 0.022 176.515 176.300 0.321 0.000 1.390 433 D CA -0.608 53.577 54.000 0.309 0.000 0.838 433 D CB -0.322 40.648 40.800 0.284 0.000 1.416 433 D HN 0.118 nan 8.370 nan 0.000 0.493 434 W N 0.795 122.195 121.300 0.167 0.000 2.425 434 W HA -0.061 4.600 4.660 0.001 0.000 0.277 434 W C 1.456 178.098 176.519 0.205 0.000 1.231 434 W CA 1.961 59.419 57.345 0.189 0.000 1.248 434 W CB 0.311 29.874 29.460 0.172 0.000 1.117 434 W HN 0.684 nan 8.180 nan 0.000 0.568 435 E N -1.253 119.145 120.200 0.330 0.000 2.230 435 E HA -0.218 4.132 4.350 0.001 0.000 0.192 435 E C 2.093 178.788 176.600 0.158 0.000 0.987 435 E CA 0.677 57.219 56.400 0.238 0.000 0.841 435 E CB -0.675 29.172 29.700 0.245 0.000 0.783 435 E HN 0.372 nan 8.360 nan 0.000 0.481 436 H N -0.528 118.570 119.070 0.047 0.000 2.333 436 H HA -0.032 4.525 4.556 0.001 0.000 0.302 436 H C 1.994 177.259 175.328 -0.105 0.000 1.075 436 H CA 1.154 57.177 56.048 -0.041 0.000 1.348 436 H CB -0.010 29.709 29.762 -0.072 0.000 1.393 436 H HN 0.265 nan 8.280 nan 0.000 0.509 437 G N -0.132 108.540 108.800 -0.215 0.000 2.476 437 G HA2 -0.330 3.630 3.960 0.001 0.000 0.218 437 G HA3 -0.330 3.630 3.960 0.001 0.000 0.218 437 G C 1.687 176.425 174.900 -0.271 0.000 1.164 437 G CA 1.486 46.435 45.100 -0.251 0.000 0.768 437 G HN 0.406 nan 8.290 nan 0.000 0.560 438 T N 0.957 115.327 114.554 -0.307 0.000 2.684 438 T HA -0.190 4.160 4.350 0.001 0.000 0.267 438 T C 2.232 176.719 174.700 -0.354 0.000 1.036 438 T CA 1.484 63.355 62.100 -0.382 0.000 1.148 438 T CB -0.236 68.527 68.868 -0.176 0.000 0.863 438 T HN 0.278 nan 8.240 nan 0.000 0.436 439 M N 0.930 120.417 119.600 -0.188 0.000 2.213 439 M HA -0.077 4.404 4.480 0.001 0.000 0.263 439 M C 2.058 178.239 176.300 -0.199 0.000 1.062 439 M CA 1.392 56.610 55.300 -0.136 0.000 1.105 439 M CB -0.310 32.303 32.600 0.023 0.000 1.385 439 M HN 0.114 nan 8.290 nan 0.000 0.417 440 V N 0.376 120.122 119.914 -0.280 0.000 2.453 440 V HA -0.125 3.996 4.120 0.001 0.000 0.247 440 V C 2.618 178.438 176.094 -0.456 0.000 1.048 440 V CA 1.911 64.045 62.300 -0.277 0.000 1.049 440 V CB -1.191 30.446 31.823 -0.310 0.000 0.672 440 V HN 0.695 nan 8.190 nan 0.000 0.457 441 G N -0.431 107.861 108.800 -0.847 0.000 2.408 441 G HA2 -0.167 3.794 3.960 0.001 0.000 0.217 441 G HA3 -0.167 3.794 3.960 0.001 0.000 0.217 441 G C 1.760 176.228 174.900 -0.719 0.000 1.150 441 G CA 0.888 45.150 45.100 -1.397 0.000 0.776 441 G HN 0.578 nan 8.290 nan 0.000 0.542 442 A N 0.452 122.970 122.820 -0.503 0.000 1.978 442 A HA 0.107 4.428 4.320 0.001 0.000 0.220 442 A C 2.150 179.652 177.584 -0.135 0.000 1.170 442 A CA 1.035 52.914 52.037 -0.263 0.000 0.636 442 A CB -0.266 18.608 19.000 -0.210 0.000 0.810 442 A HN 0.368 nan 8.150 nan 0.000 0.448 443 L N -0.534 120.595 121.223 -0.157 0.000 2.628 443 L HA 0.287 4.628 4.340 0.001 0.000 0.229 443 L C 0.571 177.369 176.870 -0.121 0.000 1.137 443 L CA -0.415 54.386 54.840 -0.065 0.000 0.909 443 L CB -0.072 41.980 42.059 -0.012 0.000 1.137 443 L HN 0.368 nan 8.230 nan 0.000 0.470 444 L N 1.709 122.810 121.223 -0.203 0.000 2.499 444 L HA 0.342 4.682 4.340 0.001 0.000 0.273 444 L C 0.139 176.873 176.870 -0.226 0.000 1.195 444 L CA 0.001 54.718 54.840 -0.204 0.000 0.882 444 L CB 0.631 42.553 42.059 -0.229 0.000 1.133 444 L HN 0.149 nan 8.230 nan 0.000 0.483 445 A N 3.529 126.182 122.820 -0.279 0.000 2.594 445 A HA 0.753 5.074 4.320 0.001 0.000 0.291 445 A C -0.566 176.847 177.584 -0.284 0.000 1.105 445 A CA -0.248 51.548 52.037 -0.400 0.000 0.694 445 A CB 1.948 20.517 19.000 -0.719 0.000 1.291 445 A HN 0.754 nan 8.150 nan 0.000 0.410 446 S N -0.786 114.749 115.700 -0.274 0.000 3.465 446 S HA 0.732 5.203 4.470 0.001 0.000 0.179 446 S C 1.095 175.564 174.600 -0.218 0.000 0.922 446 S CA 0.464 58.533 58.200 -0.219 0.000 1.168 446 S CB 0.331 63.419 63.200 -0.187 0.000 1.229 446 S HN 2.457 nan 8.310 nan 0.000 0.867 447 G N 0.447 109.133 108.800 -0.189 0.000 2.367 447 G HA2 -0.023 3.938 3.960 0.001 0.000 0.181 447 G HA3 -0.023 3.938 3.960 0.001 0.000 0.181 447 G C -0.276 174.542 174.900 -0.137 0.000 1.000 447 G CA -0.198 44.806 45.100 -0.161 0.000 0.693 447 G HN 0.470 nan 8.290 nan 0.000 0.480 458 G N 0.347 109.133 108.800 -0.023 0.000 4.716 458 G HA2 0.469 4.429 3.960 0.001 0.000 0.282 458 G HA3 0.469 4.429 3.960 0.001 0.000 0.282 458 G C 0.414 175.291 174.900 -0.039 0.000 1.173 458 G CA 0.969 46.059 45.100 -0.018 0.000 0.913 458 G HN 0.940 nan 8.290 nan 0.000 0.566 459 T N -2.347 112.170 114.554 -0.062 0.000 3.044 459 T HA 0.312 4.663 4.350 0.001 0.000 0.260 459 T C 0.627 175.245 174.700 -0.136 0.000 1.019 459 T CA -0.289 61.759 62.100 -0.087 0.000 0.921 459 T CB 0.299 69.118 68.868 -0.082 0.000 1.053 459 T HN -0.044 nan 8.240 nan 0.000 0.533 460 L N 3.019 124.135 121.223 -0.179 0.000 2.456 460 L HA 0.397 4.738 4.340 0.001 0.000 0.272 460 L C 0.733 177.414 176.870 -0.315 0.000 1.189 460 L CA -0.056 54.587 54.840 -0.329 0.000 0.846 460 L CB 0.463 42.197 42.059 -0.541 0.000 1.111 460 L HN 0.383 nan 8.230 nan 0.000 0.475 461 R N 4.124 124.427 120.500 -0.329 0.000 2.287 461 R HA 0.243 4.583 4.340 0.001 0.000 0.316 461 R C -0.682 175.437 176.300 -0.302 0.000 1.050 461 R CA -0.551 55.411 56.100 -0.229 0.000 0.983 461 R CB 0.187 30.390 30.300 -0.162 0.000 1.140 461 R HN 0.607 nan 8.270 nan 0.000 0.528 462 H N 2.295 121.169 119.070 -0.327 0.000 2.707 462 H HA 0.068 4.624 4.556 0.001 0.000 0.359 462 H C -0.641 174.537 175.328 -0.250 0.000 1.113 462 H CA 0.288 56.067 56.048 -0.449 0.000 1.422 462 H CB 1.424 30.546 29.762 -1.068 0.000 1.443 462 H HN 0.549 nan 8.280 nan 0.000 0.591 463 D N 3.107 123.456 120.400 -0.084 0.000 2.586 463 D HA 0.156 4.797 4.640 0.001 0.000 0.254 463 D C -2.703 173.581 176.300 -0.027 0.000 1.248 463 D CA -1.575 52.411 54.000 -0.023 0.000 0.843 463 D CB 1.009 41.808 40.800 -0.001 0.000 1.332 463 D HN 0.265 nan 8.370 nan 0.000 0.523 464 P HA 0.068 nan 4.420 nan 0.000 0.267 464 P C 0.487 177.753 177.300 -0.056 0.000 1.205 464 P CA -0.179 62.883 63.100 -0.064 0.000 0.765 464 P CB 0.809 32.523 31.700 0.023 0.000 0.828 465 M N 1.705 121.191 119.600 -0.190 0.000 2.856 465 M HA -0.275 4.206 4.480 0.001 0.000 0.189 465 M C 0.817 177.272 176.300 0.258 0.000 0.612 465 M CA 1.201 56.494 55.300 -0.011 0.000 0.673 465 M CB -2.786 29.938 32.600 0.206 0.000 2.440 465 M HN 0.617 nan 8.290 nan 0.000 0.437 466 A N -1.793 121.144 122.820 0.195 0.000 2.799 466 A HA -0.275 4.045 4.320 0.001 0.000 0.287 466 A C 1.281 179.122 177.584 0.429 0.000 1.484 466 A CA 1.730 53.957 52.037 0.317 0.000 0.813 466 A CB -1.124 18.108 19.000 0.386 0.000 1.009 466 A HN 0.601 nan 8.150 nan 0.000 0.545 467 M N -1.502 118.246 119.600 0.247 0.000 2.367 467 M HA 0.226 4.707 4.480 0.001 0.000 0.256 467 M C 1.792 178.097 176.300 0.007 0.000 1.091 467 M CA 0.396 55.810 55.300 0.190 0.000 1.049 467 M CB -0.494 32.130 32.600 0.039 0.000 1.406 467 M HN 0.650 nan 8.290 nan 0.000 0.498 468 L N 1.752 122.945 121.223 -0.048 0.000 2.051 468 L HA -0.163 4.178 4.340 0.001 0.000 0.214 468 L C -0.740 175.949 176.870 -0.302 0.000 1.076 468 L CA 2.100 56.861 54.840 -0.132 0.000 0.758 468 L CB -1.394 40.634 42.059 -0.051 0.000 0.890 468 L HN 0.147 nan 8.230 nan 0.000 0.433 469 P HA -0.032 nan 4.420 nan 0.000 0.253 469 P C 0.465 177.189 177.300 -0.961 0.000 1.281 469 P CA 0.948 63.555 63.100 -0.822 0.000 0.792 469 P CB -0.190 30.902 31.700 -1.013 0.000 1.193 470 F N -1.647 118.244 119.950 -0.098 0.000 2.817 470 F HA 0.304 4.831 4.527 0.001 0.000 0.333 470 F C 1.035 176.781 175.800 -0.090 0.000 1.085 470 F CA -0.592 57.361 58.000 -0.078 0.000 1.170 470 F CB 0.238 39.179 39.000 -0.097 0.000 1.066 470 F HN -0.308 nan 8.300 nan 0.000 0.564 471 I N 1.071 121.585 120.570 -0.092 0.000 2.533 471 I HA 0.097 4.268 4.170 0.001 0.000 0.284 471 I C 1.486 177.546 176.117 -0.095 0.000 1.109 471 I CA 0.285 61.448 61.300 -0.230 0.000 1.412 471 I CB 0.749 38.426 38.000 -0.537 0.000 1.396 471 I HN 0.217 nan 8.210 nan 0.000 0.543 472 G N 6.008 114.832 108.800 0.041 0.000 3.141 472 G HA2 0.176 4.136 3.960 0.001 0.000 0.218 472 G HA3 0.176 4.136 3.960 0.001 0.000 0.218 472 G C 0.011 175.062 174.900 0.252 0.000 1.170 472 G CA 0.169 45.369 45.100 0.166 0.000 0.769 472 G HN 0.728 nan 8.290 nan 0.000 0.546 473 Y N -3.066 117.250 120.300 0.026 0.000 2.905 473 Y HA 0.492 5.043 4.550 0.001 0.000 0.322 473 Y C -0.423 175.486 175.900 0.015 0.000 1.455 473 Y CA -1.838 56.279 58.100 0.030 0.000 1.083 473 Y CB 0.330 38.812 38.460 0.037 0.000 1.473 473 Y HN -0.179 nan 8.280 nan 0.000 0.449 474 N N 0.980 119.700 118.700 0.033 0.000 2.414 474 N HA -0.005 4.736 4.740 0.001 0.000 0.268 474 N C 1.007 176.402 175.510 -0.191 0.000 1.286 474 N CA 0.952 53.963 53.050 -0.066 0.000 0.896 474 N CB 1.610 40.108 38.487 0.018 0.000 1.093 474 N HN 0.937 nan 8.380 nan 0.000 0.480 475 A N 3.981 126.675 122.820 -0.210 0.000 1.986 475 A HA -0.125 4.195 4.320 0.001 0.000 0.220 475 A C 1.932 179.494 177.584 -0.037 0.000 1.171 475 A CA 1.954 53.886 52.037 -0.174 0.000 0.640 475 A CB -0.740 18.140 19.000 -0.200 0.000 0.811 475 A HN 0.749 nan 8.150 nan 0.000 0.451 476 G N -1.055 107.703 108.800 -0.070 0.000 2.453 476 G HA2 -0.124 3.837 3.960 0.001 0.000 0.215 476 G HA3 -0.124 3.837 3.960 0.001 0.000 0.215 476 G C 1.399 176.320 174.900 0.034 0.000 1.147 476 G CA 0.830 45.906 45.100 -0.041 0.000 0.802 476 G HN 0.648 nan 8.290 nan 0.000 0.535 477 E N -0.491 119.752 120.200 0.071 0.000 2.268 477 E HA -0.142 4.208 4.350 0.001 0.000 0.195 477 E C 1.832 178.604 176.600 0.287 0.000 0.995 477 E CA 0.480 56.986 56.400 0.176 0.000 0.836 477 E CB -0.182 29.660 29.700 0.238 0.000 0.763 477 E HN 0.602 nan 8.360 nan 0.000 0.491 478 Y N 0.668 120.985 120.300 0.028 0.000 2.286 478 Y HA -0.056 4.494 4.550 0.001 0.000 0.293 478 Y C 1.796 177.826 175.900 0.218 0.000 1.124 478 Y CA 1.050 59.192 58.100 0.069 0.000 1.178 478 Y CB -0.104 38.193 38.460 -0.271 0.000 1.010 478 Y HN -0.022 nan 8.280 nan 0.000 0.536 479 L N 0.334 121.582 121.223 0.042 0.000 2.083 479 L HA -0.227 4.113 4.340 0.001 0.000 0.209 479 L C 2.506 179.414 176.870 0.064 0.000 1.083 479 L CA 1.740 56.557 54.840 -0.038 0.000 0.752 479 L CB -0.620 41.412 42.059 -0.044 0.000 0.899 479 L HN 0.277 nan 8.230 nan 0.000 0.433 480 Q N 0.590 120.442 119.800 0.087 0.000 2.226 480 Q HA -0.219 4.121 4.340 0.001 0.000 0.204 480 Q C 1.796 177.876 176.000 0.133 0.000 0.975 480 Q CA 1.682 57.550 55.803 0.107 0.000 0.866 480 Q CB -0.262 28.536 28.738 0.099 0.000 0.915 480 Q HN 0.326 nan 8.270 nan 0.000 0.440 481 N N -0.879 117.902 118.700 0.136 0.000 2.142 481 N HA -0.129 4.612 4.740 0.001 0.000 0.186 481 N C 0.918 176.500 175.510 0.120 0.000 1.023 481 N CA 1.357 54.466 53.050 0.099 0.000 0.852 481 N CB -0.352 38.180 38.487 0.075 0.000 0.998 481 N HN 0.325 nan 8.380 nan 0.000 0.424 482 W N 0.781 122.082 121.300 0.002 0.000 2.338 482 W HA -0.058 4.603 4.660 0.001 0.000 0.304 482 W C 2.011 178.803 176.519 0.455 0.000 1.212 482 W CA 0.493 57.973 57.345 0.225 0.000 1.264 482 W CB -0.295 29.183 29.460 0.029 0.000 1.142 482 W HN 0.080 nan 8.180 nan 0.000 0.512 483 I N 0.025 120.871 120.570 0.460 0.000 2.133 483 I HA -0.260 3.910 4.170 0.001 0.000 0.238 483 I C 1.924 178.179 176.117 0.231 0.000 1.074 483 I CA 1.689 63.200 61.300 0.351 0.000 1.342 483 I CB -1.674 36.452 38.000 0.210 0.000 1.053 483 I HN -0.053 nan 8.210 nan 0.000 0.404 484 D N 0.539 121.027 120.400 0.147 0.000 2.133 484 D HA -0.214 4.427 4.640 0.001 0.000 0.192 484 D C 2.324 178.637 176.300 0.021 0.000 1.001 484 D CA 1.205 55.248 54.000 0.071 0.000 0.844 484 D CB -0.196 40.633 40.800 0.050 0.000 0.944 484 D HN 0.172 nan 8.370 nan 0.000 0.447 485 M N 0.128 119.737 119.600 0.015 0.000 2.108 485 M HA -0.086 4.395 4.480 0.001 0.000 0.261 485 M C 2.378 178.486 176.300 -0.320 0.000 1.066 485 M CA 1.412 56.639 55.300 -0.122 0.000 1.107 485 M CB -1.344 31.174 32.600 -0.136 0.000 1.356 485 M HN 0.062 nan 8.290 nan 0.000 0.406 486 G N 0.449 109.068 108.800 -0.302 0.000 2.418 486 G HA2 -0.232 3.728 3.960 0.001 0.000 0.217 486 G HA3 -0.232 3.728 3.960 0.001 0.000 0.217 486 G C 1.433 176.214 174.900 -0.199 0.000 1.158 486 G CA 0.770 45.541 45.100 -0.548 0.000 0.771 486 G HN 0.398 nan 8.290 nan 0.000 0.545 487 N N 0.695 119.365 118.700 -0.051 0.000 2.120 487 N HA -0.060 4.681 4.740 0.001 0.000 0.188 487 N C 2.135 177.617 175.510 -0.047 0.000 1.024 487 N CA 1.100 54.140 53.050 -0.017 0.000 0.852 487 N CB -0.259 38.243 38.487 0.025 0.000 1.003 487 N HN 0.243 nan 8.380 nan 0.000 0.424 488 K N 0.058 120.416 120.400 -0.070 0.000 2.025 488 K HA 0.017 4.337 4.320 0.001 0.000 0.207 488 K C 1.986 178.533 176.600 -0.089 0.000 1.049 488 K CA 1.310 57.558 56.287 -0.064 0.000 0.933 488 K CB -0.523 31.939 32.500 -0.063 0.000 0.714 488 K HN 0.228 nan 8.250 nan 0.000 0.438 489 G N -0.758 107.947 108.800 -0.159 0.000 2.453 489 G HA2 0.148 4.109 3.960 0.001 0.000 0.215 489 G HA3 0.148 4.109 3.960 0.001 0.000 0.215 489 G C 0.903 175.728 174.900 -0.124 0.000 1.147 489 G CA 0.586 45.586 45.100 -0.166 0.000 0.802 489 G HN 0.549 nan 8.290 nan 0.000 0.535 490 G N 1.313 110.043 108.800 -0.117 0.000 2.622 490 G HA2 -0.448 3.512 3.960 0.001 0.000 0.307 490 G HA3 -0.448 3.512 3.960 0.001 0.000 0.307 490 G C 0.931 175.808 174.900 -0.039 0.000 1.226 490 G CA 1.433 46.502 45.100 -0.052 0.000 0.997 490 G HN 0.853 nan 8.290 nan 0.000 0.551 491 D N 0.912 121.308 120.400 -0.007 0.000 2.371 491 D HA 0.058 4.698 4.640 0.001 0.000 0.221 491 D C 1.857 178.162 176.300 0.009 0.000 0.986 491 D CA 1.476 55.485 54.000 0.016 0.000 0.899 491 D CB -0.192 40.624 40.800 0.027 0.000 0.902 491 D HN 0.840 nan 8.370 nan 0.000 0.530 492 K N -0.576 119.814 120.400 -0.017 0.000 2.551 492 K HA 0.084 4.404 4.320 0.001 0.000 0.192 492 K C 0.159 176.739 176.600 -0.033 0.000 1.027 492 K CA -0.102 56.179 56.287 -0.010 0.000 1.059 492 K CB -0.031 32.469 32.500 0.001 0.000 0.831 492 K HN 0.090 nan 8.250 nan 0.000 0.508 493 M N 3.241 122.805 119.600 -0.060 0.000 2.180 493 M HA 0.251 4.731 4.480 0.001 0.000 0.358 493 M C -2.266 174.105 176.300 0.119 0.000 1.233 493 M CA -3.430 51.813 55.300 -0.094 0.000 1.114 493 M CB 0.367 32.804 32.600 -0.272 0.000 1.594 493 M HN 0.020 nan 8.290 nan 0.000 0.467 494 P HA 0.079 nan 4.420 nan 0.000 0.271 494 P C -0.273 177.230 177.300 0.340 0.000 1.218 494 P CA -0.247 63.004 63.100 0.252 0.000 0.780 494 P CB 0.521 32.363 31.700 0.237 0.000 0.901 495 S N 2.082 117.951 115.700 0.282 0.000 2.533 495 S HA 0.186 4.656 4.470 0.001 0.000 0.282 495 S C 0.267 175.005 174.600 0.229 0.000 1.304 495 S CA -0.491 57.850 58.200 0.235 0.000 1.063 495 S CB -0.731 62.601 63.200 0.221 0.000 0.881 495 S HN 0.229 nan 8.310 nan 0.000 0.493 496 I N 5.097 125.710 120.570 0.072 0.000 2.396 496 I HA 0.403 4.574 4.170 0.001 0.000 0.292 496 I C -0.597 175.443 176.117 -0.128 0.000 0.999 496 I CA -0.383 60.926 61.300 0.015 0.000 1.310 496 I CB 0.799 38.767 38.000 -0.054 0.000 1.404 496 I HN 0.501 nan 8.210 nan 0.000 0.496 497 F N 5.582 125.541 119.950 0.014 0.000 2.593 497 F HA 0.586 5.114 4.527 0.001 0.000 0.320 497 F C -0.553 175.278 175.800 0.052 0.000 1.060 497 F CA -0.922 57.115 58.000 0.061 0.000 0.940 497 F CB 1.723 40.792 39.000 0.115 0.000 1.268 497 F HN 0.139 nan 8.300 nan 0.000 0.475 498 L N 3.742 125.090 121.223 0.208 0.000 2.343 498 L HA 0.795 5.136 4.340 0.001 0.000 0.278 498 L C -0.930 175.975 176.870 0.058 0.000 0.996 498 L CA -0.735 54.185 54.840 0.132 0.000 0.831 498 L CB 1.156 43.258 42.059 0.072 0.000 1.232 498 L HN 0.446 nan 8.230 nan 0.000 0.413 499 V N 2.173 122.062 119.914 -0.042 0.000 2.994 499 V HA 0.786 4.907 4.120 0.001 0.000 0.318 499 V C -0.714 175.140 176.094 -0.400 0.000 1.085 499 V CA -0.588 61.535 62.300 -0.296 0.000 0.998 499 V CB 1.944 33.382 31.823 -0.641 0.000 1.063 499 V HN 0.895 nan 8.190 nan 0.000 0.447 500 N N 0.887 119.325 118.700 -0.438 0.000 2.664 500 N HA 0.328 5.068 4.740 0.001 0.000 0.268 500 N C -0.372 175.074 175.510 -0.107 0.000 1.222 500 N CA -0.635 52.257 53.050 -0.262 0.000 0.805 500 N CB 0.723 39.158 38.487 -0.088 0.000 1.399 500 N HN 0.910 nan 8.380 nan 0.000 0.547 501 W N 1.708 122.872 121.300 -0.227 0.000 2.699 501 W HA 0.119 4.779 4.660 0.001 0.000 0.249 501 W C 0.230 176.444 176.519 -0.508 0.000 1.280 501 W CA -0.139 56.932 57.345 -0.456 0.000 1.345 501 W CB 0.082 29.006 29.460 -0.894 0.000 1.128 501 W HN 0.418 nan 8.180 nan 0.000 0.642 502 F N -0.275 119.851 119.950 0.294 0.000 2.698 502 F HA 0.301 4.829 4.527 0.001 0.000 0.304 502 F C 1.171 177.073 175.800 0.169 0.000 1.108 502 F CA -0.790 57.419 58.000 0.349 0.000 1.263 502 F CB -0.247 38.893 39.000 0.234 0.000 1.013 502 F HN -0.449 nan 8.300 nan 0.000 0.532 503 R N 1.809 122.434 120.500 0.209 0.000 2.679 503 R HA 0.318 4.658 4.340 0.001 0.000 0.268 503 R C -0.181 176.110 176.300 -0.015 0.000 1.044 503 R CA 0.387 56.529 56.100 0.070 0.000 1.105 503 R CB 0.442 30.779 30.300 0.061 0.000 0.989 503 R HN 0.120 nan 8.270 nan 0.000 0.447 504 R N 1.687 122.131 120.500 -0.094 0.000 2.686 504 R HA 0.404 4.745 4.340 0.001 0.000 0.283 504 R C -0.215 176.029 176.300 -0.092 0.000 0.978 504 R CA -0.735 55.262 56.100 -0.171 0.000 0.897 504 R CB 2.135 32.264 30.300 -0.286 0.000 1.192 504 R HN 0.837 nan 8.270 nan 0.000 0.457 505 G N 0.196 108.954 108.800 -0.071 0.000 2.563 505 G HA2 0.050 4.010 3.960 0.001 0.000 0.283 505 G HA3 0.050 4.010 3.960 0.001 0.000 0.283 505 G C 0.466 175.341 174.900 -0.043 0.000 1.309 505 G CA -0.393 44.686 45.100 -0.036 0.000 1.022 505 G HN 0.641 nan 8.290 nan 0.000 0.501 506 E N -0.118 120.066 120.200 -0.027 0.000 2.331 506 E HA -0.150 4.200 4.350 0.001 0.000 0.199 506 E C 1.185 177.768 176.600 -0.028 0.000 1.008 506 E CA 1.241 57.625 56.400 -0.026 0.000 0.843 506 E CB 0.177 29.868 29.700 -0.015 0.000 0.761 506 E HN 0.610 nan 8.360 nan 0.000 0.507 507 D N -1.265 119.118 120.400 -0.027 0.000 2.363 507 D HA 0.052 4.693 4.640 0.001 0.000 0.214 507 D C 1.144 177.421 176.300 -0.039 0.000 1.093 507 D CA 0.531 54.517 54.000 -0.024 0.000 0.837 507 D CB 0.415 41.209 40.800 -0.010 0.000 0.948 507 D HN 0.130 nan 8.370 nan 0.000 0.507 508 G N 1.175 109.935 108.800 -0.068 0.000 2.143 508 G HA2 -0.275 3.686 3.960 0.001 0.000 0.249 508 G HA3 -0.275 3.686 3.960 0.001 0.000 0.249 508 G C 0.232 175.046 174.900 -0.144 0.000 0.981 508 G CA 0.220 45.256 45.100 -0.107 0.000 0.665 508 G HN 0.677 nan 8.290 nan 0.000 0.528 509 R N 0.050 120.491 120.500 -0.099 0.000 2.720 509 R HA 0.739 5.080 4.340 0.001 0.000 0.272 509 R C -0.474 175.779 176.300 -0.078 0.000 0.991 509 R CA -1.682 54.386 56.100 -0.054 0.000 1.010 509 R CB 0.257 30.587 30.300 0.049 0.000 1.141 509 R HN 0.052 nan 8.270 nan 0.000 0.494 510 F N 1.695 121.656 119.950 0.018 0.000 2.471 510 F HA 0.118 4.645 4.527 0.001 0.000 0.353 510 F C 1.507 177.321 175.800 0.024 0.000 1.113 510 F CA -0.400 57.612 58.000 0.020 0.000 1.262 510 F CB 0.520 39.514 39.000 -0.010 0.000 1.146 510 F HN 0.331 nan 8.300 nan 0.000 0.578 511 L N 2.732 124.097 121.223 0.237 0.000 2.446 511 L HA 0.044 4.385 4.340 0.001 0.000 0.219 511 L C -0.219 176.816 176.870 0.275 0.000 1.116 511 L CA 0.493 55.447 54.840 0.189 0.000 0.844 511 L CB -0.318 41.825 42.059 0.139 0.000 0.970 511 L HN 0.536 nan 8.230 nan 0.000 0.457 512 W N 1.126 122.443 121.300 0.028 0.000 2.781 512 W HA 0.284 4.944 4.660 0.001 0.000 0.333 512 W C -1.795 174.645 176.519 -0.131 0.000 1.047 512 W CA -1.620 55.689 57.345 -0.059 0.000 1.236 512 W CB 2.294 31.712 29.460 -0.070 0.000 1.394 512 W HN -0.128 nan 8.180 nan 0.000 0.466 513 P HA 0.038 nan 4.420 nan 0.000 0.225 513 P C 1.111 177.893 177.300 -0.862 0.000 1.156 513 P CA 1.588 64.264 63.100 -0.707 0.000 0.787 513 P CB 0.509 31.844 31.700 -0.608 0.000 0.802 514 G N -0.237 107.787 108.800 -1.294 0.000 2.581 514 G HA2 -0.329 3.631 3.960 0.001 0.000 0.291 514 G HA3 -0.329 3.631 3.960 0.001 0.000 0.291 514 G C 0.310 174.807 174.900 -0.673 0.000 1.277 514 G CA 0.203 44.731 45.100 -0.953 0.000 0.959 514 G HN 0.236 nan 8.290 nan 0.000 0.554 515 F N -1.852 117.799 119.950 -0.498 0.000 2.756 515 F HA -0.336 4.191 4.527 0.001 0.000 0.240 515 F C 2.700 178.311 175.800 -0.316 0.000 1.487 515 F CA 2.168 59.961 58.000 -0.344 0.000 1.859 515 F CB -1.584 37.252 39.000 -0.272 0.000 1.319 515 F HN 1.335 nan 8.300 nan 0.000 0.230 516 G N -0.523 108.265 108.800 -0.020 0.000 2.432 516 G HA2 -0.183 3.778 3.960 0.001 0.000 0.219 516 G HA3 -0.183 3.778 3.960 0.001 0.000 0.219 516 G C 0.944 175.757 174.900 -0.145 0.000 1.135 516 G CA 1.362 46.413 45.100 -0.082 0.000 0.767 516 G HN 0.595 nan 8.290 nan 0.000 0.550 517 D N 0.760 121.015 120.400 -0.243 0.000 2.317 517 D HA -0.053 4.588 4.640 0.001 0.000 0.211 517 D C 1.845 178.095 176.300 -0.083 0.000 0.966 517 D CA 0.155 53.994 54.000 -0.268 0.000 0.876 517 D CB -0.115 40.347 40.800 -0.563 0.000 0.927 517 D HN 0.133 nan 8.370 nan 0.000 0.519 518 N N 0.889 119.474 118.700 -0.192 0.000 2.417 518 N HA -0.150 4.591 4.740 0.001 0.000 0.187 518 N C 1.816 177.257 175.510 -0.114 0.000 1.027 518 N CA 0.795 53.688 53.050 -0.261 0.000 0.891 518 N CB -0.342 37.613 38.487 -0.888 0.000 0.956 518 N HN 0.222 nan 8.380 nan 0.000 0.442 519 S N 0.873 116.510 115.700 -0.105 0.000 2.400 519 S HA -0.112 4.358 4.470 0.001 0.000 0.232 519 S C 1.845 176.340 174.600 -0.176 0.000 1.025 519 S CA 0.655 58.774 58.200 -0.134 0.000 0.993 519 S CB -0.237 62.878 63.200 -0.142 0.000 0.808 519 S HN 0.314 nan 8.310 nan 0.000 0.478 520 R N 0.695 121.169 120.500 -0.044 0.000 2.081 520 R HA 0.044 4.384 4.340 0.001 0.000 0.235 520 R C 2.331 178.626 176.300 -0.008 0.000 1.131 520 R CA 1.323 57.417 56.100 -0.009 0.000 0.960 520 R CB -0.871 29.546 30.300 0.194 0.000 0.856 520 R HN 0.329 nan 8.270 nan 0.000 0.436 521 V N 1.608 121.532 119.914 0.018 0.000 2.332 521 V HA -0.231 3.890 4.120 0.001 0.000 0.248 521 V C 2.277 178.396 176.094 0.041 0.000 1.055 521 V CA 1.666 63.967 62.300 0.001 0.000 1.038 521 V CB -0.404 31.438 31.823 0.033 0.000 0.651 521 V HN 0.318 nan 8.190 nan 0.000 0.450 522 L N -0.162 121.044 121.223 -0.029 0.000 2.201 522 L HA -0.190 4.151 4.340 0.001 0.000 0.212 522 L C 2.537 179.270 176.870 -0.228 0.000 1.105 522 L CA 1.819 56.604 54.840 -0.091 0.000 0.775 522 L CB -0.550 41.467 42.059 -0.069 0.000 0.913 522 L HN 0.396 nan 8.230 nan 0.000 0.440 523 K N -0.260 119.931 120.400 -0.347 0.000 2.062 523 K HA -0.237 4.083 4.320 0.001 0.000 0.205 523 K C 2.126 178.631 176.600 -0.158 0.000 1.051 523 K CA 1.232 57.217 56.287 -0.502 0.000 0.941 523 K CB -0.297 31.768 32.500 -0.725 0.000 0.719 523 K HN 0.252 nan 8.250 nan 0.000 0.440 524 W N 0.993 122.173 121.300 -0.200 0.000 2.388 524 W HA -0.178 4.482 4.660 0.001 0.000 0.294 524 W C 1.505 177.942 176.519 -0.136 0.000 1.212 524 W CA 1.082 58.363 57.345 -0.106 0.000 1.271 524 W CB -0.067 29.349 29.460 -0.074 0.000 1.126 524 W HN -0.161 nan 8.180 nan 0.000 0.535 525 V N 1.310 121.211 119.914 -0.023 0.000 2.332 525 V HA -0.353 3.767 4.120 0.001 0.000 0.248 525 V C 2.158 177.997 176.094 -0.425 0.000 1.055 525 V CA 2.144 64.163 62.300 -0.468 0.000 1.038 525 V CB -0.792 30.600 31.823 -0.718 0.000 0.651 525 V HN 0.228 nan 8.190 nan 0.000 0.450 526 I N -0.175 120.196 120.570 -0.333 0.000 2.163 526 I HA -0.214 3.956 4.170 0.001 0.000 0.240 526 I C 2.344 178.301 176.117 -0.267 0.000 1.081 526 I CA 1.625 62.715 61.300 -0.350 0.000 1.353 526 I CB -0.637 37.117 38.000 -0.411 0.000 1.054 526 I HN 0.306 nan 8.210 nan 0.000 0.407 527 D N 0.657 120.936 120.400 -0.200 0.000 2.149 527 D HA -0.252 4.388 4.640 0.001 0.000 0.194 527 D C 2.163 178.242 176.300 -0.369 0.000 1.001 527 D CA 1.363 55.251 54.000 -0.186 0.000 0.849 527 D CB -0.342 40.377 40.800 -0.135 0.000 0.939 527 D HN 0.152 nan 8.370 nan 0.000 0.449 528 R N 0.785 120.925 120.500 -0.601 0.000 2.075 528 R HA -0.079 4.261 4.340 0.001 0.000 0.232 528 R C 2.039 178.194 176.300 -0.243 0.000 1.126 528 R CA 0.797 56.552 56.100 -0.576 0.000 0.963 528 R CB -0.725 28.963 30.300 -1.019 0.000 0.858 528 R HN 0.082 nan 8.270 nan 0.000 0.435 529 I N 1.549 122.037 120.570 -0.137 0.000 2.163 529 I HA -0.207 3.963 4.170 0.001 0.000 0.243 529 I C 1.779 177.841 176.117 -0.091 0.000 1.085 529 I CA 1.535 62.820 61.300 -0.025 0.000 1.347 529 I CB -1.164 36.844 38.000 0.013 0.000 1.044 529 I HN 0.249 nan 8.210 nan 0.000 0.408 530 E N 0.277 120.360 120.200 -0.195 0.000 2.358 530 E HA 0.031 4.381 4.350 0.001 0.000 0.195 530 E C 1.508 177.763 176.600 -0.576 0.000 1.010 530 E CA 0.871 57.066 56.400 -0.343 0.000 0.856 530 E CB -0.053 29.389 29.700 -0.431 0.000 0.795 530 E HN 0.589 nan 8.360 nan 0.000 0.504 531 G N 1.281 109.818 108.800 -0.438 0.000 2.140 531 G HA2 -0.260 3.700 3.960 0.001 0.000 0.211 531 G HA3 -0.260 3.700 3.960 0.001 0.000 0.211 531 G C 0.283 175.080 174.900 -0.171 0.000 1.013 531 G CA 0.287 45.229 45.100 -0.264 0.000 0.705 531 G HN 0.476 nan 8.290 nan 0.000 0.508 532 H N -1.237 117.788 119.070 -0.075 0.000 2.652 532 H HA 0.449 5.006 4.556 0.001 0.000 0.274 532 H C 0.783 176.081 175.328 -0.050 0.000 1.021 532 H CA 0.311 56.331 56.048 -0.045 0.000 1.187 532 H CB 1.129 30.874 29.762 -0.027 0.000 1.505 532 H HN 0.765 nan 8.280 nan 0.000 0.530 533 V N -2.032 117.874 119.914 -0.013 0.000 2.888 533 V HA 0.748 4.868 4.120 0.001 0.000 0.309 533 V C 0.427 176.522 176.094 0.001 0.000 1.114 533 V CA -0.842 61.454 62.300 -0.006 0.000 0.940 533 V CB 1.581 33.361 31.823 -0.071 0.000 1.021 533 V HN 0.164 nan 8.190 nan 0.000 0.426 534 G N 2.118 110.977 108.800 0.099 0.000 2.873 534 G HA2 0.885 4.846 3.960 0.001 0.000 0.170 534 G HA3 0.885 4.846 3.960 0.001 0.000 0.170 534 G C 0.124 175.167 174.900 0.238 0.000 1.608 534 G CA -0.137 45.027 45.100 0.107 0.000 1.084 534 G HN 2.337 nan 8.290 nan 0.000 0.563 535 A N -1.319 121.638 122.820 0.228 0.000 2.588 535 A HA 0.451 4.772 4.320 0.001 0.000 0.305 535 A C -2.017 175.672 177.584 0.175 0.000 0.991 535 A CA -0.638 51.567 52.037 0.280 0.000 0.784 535 A CB 0.539 19.732 19.000 0.321 0.000 1.189 535 A HN 0.373 nan 8.150 nan 0.000 0.390 536 D N 1.972 122.459 120.400 0.145 0.000 2.280 536 D HA 0.435 5.076 4.640 0.001 0.000 0.243 536 D C -0.140 176.226 176.300 0.111 0.000 1.129 536 D CA 0.288 54.346 54.000 0.096 0.000 0.848 536 D CB 1.408 42.239 40.800 0.052 0.000 1.107 536 D HN 0.414 nan 8.370 nan 0.000 0.471 537 E N 1.173 121.438 120.200 0.109 0.000 2.415 537 E HA 0.130 4.481 4.350 0.001 0.000 0.260 537 E C 0.390 177.013 176.600 0.038 0.000 1.016 537 E CA 0.043 56.510 56.400 0.112 0.000 0.924 537 E CB 0.340 30.100 29.700 0.100 0.000 0.961 537 E HN 0.426 nan 8.360 nan 0.000 0.459 538 T N -1.525 113.028 114.554 -0.001 0.000 2.841 538 T HA 0.351 4.702 4.350 0.001 0.000 0.276 538 T C 1.289 175.890 174.700 -0.166 0.000 1.003 538 T CA -0.235 61.810 62.100 -0.091 0.000 0.995 538 T CB 0.691 69.487 68.868 -0.121 0.000 1.260 538 T HN 0.140 nan 8.240 nan 0.000 0.581 539 V N -0.216 119.514 119.914 -0.307 0.000 2.626 539 V HA -0.045 4.076 4.120 0.001 0.000 0.252 539 V C 2.259 178.016 176.094 -0.562 0.000 1.067 539 V CA 1.380 63.422 62.300 -0.429 0.000 1.081 539 V CB -1.535 29.967 31.823 -0.536 0.000 0.686 539 V HN 0.689 nan 8.190 nan 0.000 0.468 540 V N 1.040 120.589 119.914 -0.609 0.000 2.379 540 V HA 0.446 4.566 4.120 0.001 0.000 0.245 540 V C 1.584 177.485 176.094 -0.322 0.000 1.044 540 V CA 1.710 63.705 62.300 -0.508 0.000 1.036 540 V CB -1.077 30.520 31.823 -0.375 0.000 0.664 540 V HN 0.974 nan 8.190 nan 0.000 0.453 541 G N -1.275 107.376 108.800 -0.248 0.000 2.553 541 G HA2 0.058 4.019 3.960 0.001 0.000 0.106 541 G HA3 0.058 4.019 3.960 0.001 0.000 0.106 541 G C -1.168 173.659 174.900 -0.122 0.000 1.126 541 G CA -0.485 44.463 45.100 -0.253 0.000 1.075 541 G HN 0.265 nan 8.290 nan 0.000 0.472 542 H N 1.676 120.857 119.070 0.186 0.000 2.787 542 H HA 0.545 5.101 4.556 0.001 0.000 0.275 542 H C 0.522 175.967 175.328 0.196 0.000 1.183 542 H CA 0.464 56.632 56.048 0.199 0.000 1.290 542 H CB 0.324 30.233 29.762 0.244 0.000 1.438 542 H HN 0.614 nan 8.280 nan 0.000 0.487 543 T N 0.581 115.231 114.554 0.161 0.000 2.909 543 T HA 0.538 4.889 4.350 0.001 0.000 0.289 543 T C 0.623 175.274 174.700 -0.081 0.000 1.005 543 T CA -0.719 61.383 62.100 0.003 0.000 1.084 543 T CB 0.842 69.673 68.868 -0.063 0.000 0.975 543 T HN 0.614 nan 8.240 nan 0.000 0.509 544 A N 4.033 126.528 122.820 -0.543 0.000 2.540 544 A HA 0.320 4.640 4.320 0.001 0.000 0.239 544 A C 0.516 177.944 177.584 -0.259 0.000 1.061 544 A CA -0.138 51.436 52.037 -0.772 0.000 0.758 544 A CB -0.173 17.898 19.000 -1.549 0.000 0.991 544 A HN 0.898 nan 8.150 nan 0.000 0.502 545 K N 2.475 122.857 120.400 -0.031 0.000 2.205 545 K HA 0.434 4.754 4.320 0.001 0.000 0.279 545 K C 1.131 177.708 176.600 -0.038 0.000 1.027 545 K CA 0.162 56.448 56.287 -0.001 0.000 0.932 545 K CB 1.234 33.781 32.500 0.078 0.000 1.032 545 K HN 0.665 nan 8.250 nan 0.000 0.466 546 A N 2.958 125.750 122.820 -0.047 0.000 1.940 546 A HA -0.238 4.083 4.320 0.001 0.000 0.219 546 A C 2.033 179.622 177.584 0.009 0.000 1.176 546 A CA 1.879 53.889 52.037 -0.045 0.000 0.631 546 A CB -0.537 18.451 19.000 -0.019 0.000 0.814 546 A HN 0.974 nan 8.150 nan 0.000 0.446 547 E N -0.375 119.847 120.200 0.036 0.000 2.265 547 E HA -0.220 4.130 4.350 0.001 0.000 0.196 547 E C 0.161 176.815 176.600 0.089 0.000 0.996 547 E CA 1.396 57.831 56.400 0.059 0.000 0.832 547 E CB -0.354 29.381 29.700 0.057 0.000 0.756 547 E HN 0.490 nan 8.360 nan 0.000 0.491 548 D N 0.143 120.618 120.400 0.124 0.000 2.328 548 D HA 0.136 4.777 4.640 0.001 0.000 0.226 548 D C 0.418 176.869 176.300 0.251 0.000 1.066 548 D CA 0.087 54.218 54.000 0.218 0.000 0.861 548 D CB 0.343 41.358 40.800 0.358 0.000 0.912 548 D HN 0.149 nan 8.370 nan 0.000 0.521 549 L N -0.486 120.816 121.223 0.133 0.000 2.760 549 L HA 0.236 4.577 4.340 0.001 0.000 0.213 549 L C 0.973 177.901 176.870 0.098 0.000 2.003 549 L CA -0.193 54.710 54.840 0.104 0.000 2.737 549 L CB -0.213 41.839 42.059 -0.010 0.000 2.794 549 L HN -0.186 nan 8.230 nan 0.000 0.633 550 D N -1.560 118.902 120.400 0.103 0.000 3.574 550 D HA -0.297 4.343 4.640 0.001 0.000 0.153 550 D C 0.019 176.361 176.300 0.071 0.000 0.965 550 D CA 2.396 56.458 54.000 0.103 0.000 1.047 550 D CB -0.442 40.410 40.800 0.086 0.000 0.492 550 D HN 0.409 nan 8.370 nan 0.000 0.492 551 L N -1.544 119.716 121.223 0.062 0.000 1.580 551 L HA 0.005 4.345 4.340 0.001 0.000 0.495 551 L C -0.542 176.353 176.870 0.041 0.000 0.771 551 L CA 0.740 55.612 54.840 0.054 0.000 2.313 551 L CB -1.694 40.394 42.059 0.048 0.000 1.173 551 L HN 0.709 nan 8.230 nan 0.000 0.517 552 D N -1.176 119.246 120.400 0.037 0.000 10.944 552 D HA 0.278 4.918 4.640 0.001 0.000 0.358 552 D C 1.174 177.479 176.300 0.009 0.000 3.120 552 D CA 2.774 56.788 54.000 0.023 0.000 2.629 552 D CB -0.569 40.245 40.800 0.024 0.000 1.169 552 D HN 0.842 nan 8.370 nan 0.000 0.937 553 G N -0.498 108.300 108.800 -0.003 0.000 2.238 553 G HA2 -0.306 3.654 3.960 0.001 0.000 0.217 553 G HA3 -0.306 3.654 3.960 0.001 0.000 0.217 553 G C 0.948 175.823 174.900 -0.042 0.000 0.996 553 G CA 0.271 45.360 45.100 -0.018 0.000 0.632 553 G HN 0.607 nan 8.290 nan 0.000 0.503 554 L N 0.724 121.921 121.223 -0.043 0.000 2.357 554 L HA 0.012 4.353 4.340 0.001 0.000 0.220 554 L C 1.033 177.827 176.870 -0.126 0.000 1.123 554 L CA 2.393 57.179 54.840 -0.091 0.000 0.782 554 L CB -0.377 41.647 42.059 -0.058 0.000 0.910 554 L HN 0.539 nan 8.230 nan 0.000 0.442 555 D N -0.347 120.004 120.400 -0.081 0.000 3.241 555 D HA -0.184 4.456 4.640 0.001 0.000 0.248 555 D C 0.598 176.853 176.300 -0.076 0.000 1.093 555 D CA 0.925 54.880 54.000 -0.076 0.000 0.940 555 D CB -0.914 39.832 40.800 -0.091 0.000 0.980 555 D HN 0.501 nan 8.370 nan 0.000 0.421 556 T N -2.488 112.038 114.554 -0.047 0.000 7.177 556 T HA -0.163 4.187 4.350 0.001 0.000 0.291 556 T C -2.091 172.595 174.700 -0.022 0.000 2.134 556 T CA 0.773 62.855 62.100 -0.031 0.000 3.572 556 T CB -1.440 67.409 68.868 -0.032 0.000 1.288 556 T HN 0.414 nan 8.240 nan 0.000 0.869 557 P HA 0.435 nan 4.420 nan 0.000 0.270 557 P C 0.093 177.409 177.300 0.026 0.000 1.242 557 P CA -0.522 62.581 63.100 0.005 0.000 0.768 557 P CB 0.027 31.736 31.700 0.015 0.000 0.820 558 I N 0.855 121.442 120.570 0.029 0.000 3.112 558 I HA -0.034 4.136 4.170 0.001 0.000 0.284 558 I C 1.315 177.462 176.117 0.050 0.000 1.227 558 I CA -0.389 60.931 61.300 0.034 0.000 1.369 558 I CB -0.692 37.325 38.000 0.028 0.000 1.376 558 I HN 0.361 nan 8.210 nan 0.000 0.608 559 E N 2.579 122.807 120.200 0.047 0.000 4.090 559 E HA -0.201 4.150 4.350 0.001 0.000 0.246 559 E C 0.054 176.680 176.600 0.043 0.000 1.263 559 E CA 0.323 56.751 56.400 0.047 0.000 1.199 559 E CB -0.743 28.977 29.700 0.034 0.000 1.077 559 E HN 0.504 nan 8.360 nan 0.000 0.403 560 D N 0.191 120.625 120.400 0.056 0.000 2.149 560 D HA -0.101 4.539 4.640 0.001 0.000 0.201 560 D C 1.916 178.266 176.300 0.082 0.000 0.972 560 D CA 0.437 54.475 54.000 0.064 0.000 0.835 560 D CB 0.101 40.947 40.800 0.077 0.000 0.966 560 D HN 0.113 nan 8.370 nan 0.000 0.476 561 V N 1.335 121.319 119.914 0.116 0.000 2.311 561 V HA -0.326 3.794 4.120 0.001 0.000 0.259 561 V C 2.431 178.533 176.094 0.012 0.000 1.086 561 V CA 1.739 64.097 62.300 0.097 0.000 1.078 561 V CB -0.446 31.450 31.823 0.121 0.000 0.668 561 V HN 0.226 nan 8.190 nan 0.000 0.452 562 K N -0.692 119.717 120.400 0.014 0.000 2.057 562 K HA -0.153 4.168 4.320 0.001 0.000 0.206 562 K C 2.265 178.863 176.600 -0.004 0.000 1.050 562 K CA 1.303 57.587 56.287 -0.005 0.000 0.935 562 K CB -0.197 32.307 32.500 0.007 0.000 0.715 562 K HN 0.607 nan 8.250 nan 0.000 0.439 563 E N 0.422 120.629 120.200 0.011 0.000 2.031 563 E HA -0.170 4.181 4.350 0.001 0.000 0.193 563 E C 1.806 178.410 176.600 0.006 0.000 0.994 563 E CA 1.103 57.510 56.400 0.012 0.000 0.800 563 E CB -0.051 29.659 29.700 0.018 0.000 0.752 563 E HN 0.247 nan 8.360 nan 0.000 0.447 564 A N 0.687 123.514 122.820 0.011 0.000 2.093 564 A HA -0.172 4.148 4.320 0.001 0.000 0.222 564 A C 2.000 179.554 177.584 -0.050 0.000 1.162 564 A CA 1.167 53.200 52.037 -0.005 0.000 0.655 564 A CB -0.396 18.612 19.000 0.013 0.000 0.805 564 A HN 0.278 nan 8.150 nan 0.000 0.461 565 L N -1.515 119.670 121.223 -0.063 0.000 2.640 565 L HA 0.083 4.423 4.340 0.001 0.000 0.230 565 L C 1.128 177.972 176.870 -0.043 0.000 1.123 565 L CA -0.157 54.626 54.840 -0.096 0.000 0.900 565 L CB 0.055 42.031 42.059 -0.138 0.000 1.146 565 L HN 0.231 nan 8.230 nan 0.000 0.484 566 T N 0.719 115.267 114.554 -0.010 0.000 2.932 566 T HA 0.337 4.688 4.350 0.001 0.000 0.312 566 T C 0.243 174.986 174.700 0.072 0.000 1.071 566 T CA 0.064 62.177 62.100 0.022 0.000 1.128 566 T CB 0.780 69.661 68.868 0.023 0.000 0.984 566 T HN 0.275 nan 8.240 nan 0.000 0.549 567 A N 6.618 129.495 122.820 0.096 0.000 3.216 567 A HA 0.558 4.879 4.320 0.001 0.000 0.321 567 A C -2.725 174.994 177.584 0.225 0.000 1.042 567 A CA -1.273 50.895 52.037 0.219 0.000 0.838 567 A CB 0.432 19.476 19.000 0.074 0.000 1.136 567 A HN 0.584 nan 8.150 nan 0.000 0.483 568 P HA 0.278 nan 4.420 nan 0.000 0.271 568 P C 0.974 178.411 177.300 0.228 0.000 1.220 568 P CA 0.181 63.371 63.100 0.150 0.000 0.768 568 P CB 1.427 33.183 31.700 0.094 0.000 0.848 569 A N 3.183 126.089 122.820 0.144 0.000 2.209 569 A HA -0.117 4.204 4.320 0.001 0.000 0.212 569 A C 1.945 179.616 177.584 0.145 0.000 1.158 569 A CA 0.985 53.114 52.037 0.153 0.000 0.742 569 A CB -0.641 18.392 19.000 0.055 0.000 0.790 569 A HN 0.458 nan 8.150 nan 0.000 0.472 570 E N 0.088 120.349 120.200 0.101 0.000 2.112 570 E HA -0.125 4.226 4.350 0.001 0.000 0.190 570 E C 2.002 178.637 176.600 0.059 0.000 0.979 570 E CA 0.993 57.432 56.400 0.065 0.000 0.814 570 E CB -0.136 29.585 29.700 0.035 0.000 0.762 570 E HN 0.779 nan 8.360 nan 0.000 0.460 571 Q N -1.147 118.685 119.800 0.053 0.000 2.123 571 Q HA -0.138 4.202 4.340 0.001 0.000 0.199 571 Q C 1.973 177.928 176.000 -0.075 0.000 0.966 571 Q CA 1.221 57.001 55.803 -0.039 0.000 0.845 571 Q CB -0.155 28.536 28.738 -0.079 0.000 0.907 571 Q HN 0.294 nan 8.270 nan 0.000 0.439 572 W N 0.507 121.795 121.300 -0.019 0.000 2.355 572 W HA -0.147 4.514 4.660 0.001 0.000 0.309 572 W C 2.478 178.994 176.519 -0.006 0.000 1.206 572 W CA 1.288 58.624 57.345 -0.014 0.000 1.284 572 W CB -0.335 29.113 29.460 -0.020 0.000 1.145 572 W HN 0.127 nan 8.180 nan 0.000 0.502 573 A N -0.087 122.856 122.820 0.205 0.000 2.024 573 A HA -0.240 4.080 4.320 0.001 0.000 0.220 573 A C 1.867 179.494 177.584 0.072 0.000 1.164 573 A CA 1.781 53.887 52.037 0.115 0.000 0.643 573 A CB -0.940 18.106 19.000 0.077 0.000 0.806 573 A HN 0.441 nan 8.150 nan 0.000 0.451 574 N N -0.144 118.580 118.700 0.040 0.000 2.166 574 N HA -0.142 4.598 4.740 0.001 0.000 0.186 574 N C 0.345 175.855 175.510 -0.000 0.000 1.019 574 N CA 1.513 54.566 53.050 0.004 0.000 0.856 574 N CB -0.122 38.345 38.487 -0.033 0.000 0.993 574 N HN 0.391 nan 8.380 nan 0.000 0.426 575 D N 0.075 120.467 120.400 -0.013 0.000 2.340 575 D HA 0.014 4.655 4.640 0.001 0.000 0.220 575 D C 1.867 178.229 176.300 0.104 0.000 1.039 575 D CA 0.060 54.051 54.000 -0.015 0.000 0.866 575 D CB 0.301 41.021 40.800 -0.134 0.000 0.913 575 D HN 0.049 nan 8.370 nan 0.000 0.523 576 V N 0.925 120.929 119.914 0.150 0.000 2.295 576 V HA -0.240 3.880 4.120 0.001 0.000 0.246 576 V C 2.512 178.778 176.094 0.287 0.000 1.049 576 V CA 1.710 64.162 62.300 0.253 0.000 1.024 576 V CB -0.256 31.658 31.823 0.152 0.000 0.648 576 V HN 0.119 nan 8.190 nan 0.000 0.447 577 E N 0.512 120.813 120.200 0.168 0.000 2.051 577 E HA -0.248 4.103 4.350 0.001 0.000 0.192 577 E C 2.026 178.698 176.600 0.120 0.000 0.991 577 E CA 1.711 58.193 56.400 0.136 0.000 0.799 577 E CB -0.561 29.187 29.700 0.081 0.000 0.748 577 E HN 0.573 nan 8.360 nan 0.000 0.449 578 D N -0.148 120.313 120.400 0.102 0.000 2.160 578 D HA -0.235 4.405 4.640 0.001 0.000 0.189 578 D C 1.549 177.924 176.300 0.124 0.000 1.003 578 D CA 1.640 55.703 54.000 0.105 0.000 0.846 578 D CB -0.243 40.611 40.800 0.091 0.000 0.949 578 D HN 0.203 nan 8.370 nan 0.000 0.446 579 N N 0.300 119.086 118.700 0.142 0.000 2.171 579 N HA -0.083 4.658 4.740 0.001 0.000 0.184 579 N C 1.849 177.232 175.510 -0.210 0.000 1.021 579 N CA 1.195 54.272 53.050 0.045 0.000 0.854 579 N CB -0.570 38.015 38.487 0.164 0.000 0.994 579 N HN 0.228 nan 8.380 nan 0.000 0.426 580 A N 1.411 124.189 122.820 -0.070 0.000 1.940 580 A HA -0.175 4.145 4.320 0.001 0.000 0.219 580 A C 2.082 179.641 177.584 -0.042 0.000 1.176 580 A CA 1.521 53.510 52.037 -0.079 0.000 0.631 580 A CB -0.504 18.666 19.000 0.284 0.000 0.814 580 A HN 0.353 nan 8.150 nan 0.000 0.446 581 E N -2.217 117.990 120.200 0.011 0.000 2.152 581 E HA -0.134 4.217 4.350 0.001 0.000 0.192 581 E C 1.782 178.371 176.600 -0.019 0.000 0.983 581 E CA 0.965 57.369 56.400 0.007 0.000 0.818 581 E CB -0.206 29.505 29.700 0.019 0.000 0.758 581 E HN 0.782 nan 8.360 nan 0.000 0.467 582 Y N 1.176 121.369 120.300 -0.178 0.000 2.200 582 Y HA -0.143 4.408 4.550 0.001 0.000 0.290 582 Y C 1.888 177.712 175.900 -0.128 0.000 1.137 582 Y CA 1.202 59.157 58.100 -0.243 0.000 1.163 582 Y CB 0.023 38.093 38.460 -0.650 0.000 0.988 582 Y HN -0.042 nan 8.280 nan 0.000 0.518 583 L N -1.218 119.919 121.223 -0.144 0.000 2.083 583 L HA -0.241 4.100 4.340 0.001 0.000 0.209 583 L C 2.258 179.079 176.870 -0.082 0.000 1.083 583 L CA 1.703 56.443 54.840 -0.168 0.000 0.752 583 L CB -0.930 40.988 42.059 -0.235 0.000 0.899 583 L HN 0.188 nan 8.230 nan 0.000 0.433 584 T N 0.001 114.526 114.554 -0.047 0.000 2.674 584 T HA -0.230 4.120 4.350 0.001 0.000 0.265 584 T C 1.618 176.265 174.700 -0.087 0.000 1.039 584 T CA 1.570 63.653 62.100 -0.029 0.000 1.150 584 T CB -0.409 68.452 68.868 -0.012 0.000 0.864 584 T HN 0.284 nan 8.240 nan 0.000 0.427 585 F N 1.893 121.675 119.950 -0.280 0.000 2.120 585 F HA -0.087 4.441 4.527 0.001 0.000 0.300 585 F C 1.817 177.402 175.800 -0.359 0.000 1.095 585 F CA 1.160 58.953 58.000 -0.344 0.000 1.249 585 F CB -0.591 38.106 39.000 -0.505 0.000 0.995 585 F HN 0.069 nan 8.300 nan 0.000 0.480 586 L N -0.052 120.806 121.223 -0.608 0.000 2.362 586 L HA 0.113 4.453 4.340 0.001 0.000 0.219 586 L C 1.328 177.949 176.870 -0.414 0.000 1.134 586 L CA 0.598 55.070 54.840 -0.614 0.000 0.807 586 L CB -1.299 40.529 42.059 -0.385 0.000 0.927 586 L HN 0.552 nan 8.230 nan 0.000 0.447 587 G N -0.555 108.071 108.800 -0.290 0.000 2.483 587 G HA2 -0.154 3.807 3.960 0.001 0.000 0.521 587 G HA3 -0.154 3.807 3.960 0.001 0.000 0.521 587 G C -2.322 172.527 174.900 -0.086 0.000 1.278 587 G CA -0.264 44.717 45.100 -0.199 0.000 0.965 587 G HN -0.064 nan 8.290 nan 0.000 0.504 588 P HA 0.054 nan 4.420 nan 0.000 0.242 588 P C 1.120 178.418 177.300 -0.003 0.000 1.197 588 P CA 0.656 63.742 63.100 -0.024 0.000 0.765 588 P CB 0.058 31.735 31.700 -0.039 0.000 0.936 589 R N -0.689 119.801 120.500 -0.017 0.000 2.308 589 R HA 0.155 4.496 4.340 0.001 0.000 0.202 589 R C 0.352 176.657 176.300 0.009 0.000 0.898 589 R CA -0.171 55.933 56.100 0.006 0.000 1.046 589 R CB 0.126 30.430 30.300 0.007 0.000 1.026 589 R HN 0.003 nan 8.270 nan 0.000 0.512 590 V N 4.799 124.703 119.914 -0.016 0.000 2.621 590 V HA -0.076 4.045 4.120 0.001 0.000 0.300 590 V C -2.027 174.051 176.094 -0.026 0.000 1.031 590 V CA -0.306 61.956 62.300 -0.064 0.000 1.210 590 V CB -0.473 31.253 31.823 -0.161 0.000 0.864 590 V HN 0.023 nan 8.190 nan 0.000 0.477 591 P HA 0.161 nan 4.420 nan 0.000 0.269 591 P C 0.701 178.030 177.300 0.049 0.000 1.209 591 P CA 0.142 63.255 63.100 0.021 0.000 0.776 591 P CB 0.798 32.516 31.700 0.030 0.000 0.876 592 A N 2.587 125.494 122.820 0.145 0.000 1.978 592 A HA -0.240 4.080 4.320 0.001 0.000 0.220 592 A C 1.890 179.557 177.584 0.139 0.000 1.170 592 A CA 1.776 53.932 52.037 0.197 0.000 0.636 592 A CB -1.131 17.945 19.000 0.127 0.000 0.810 592 A HN 0.564 nan 8.150 nan 0.000 0.448 593 E N -0.526 119.730 120.200 0.093 0.000 2.118 593 E HA -0.124 4.226 4.350 0.001 0.000 0.195 593 E C 1.927 178.566 176.600 0.064 0.000 0.992 593 E CA 1.348 57.801 56.400 0.088 0.000 0.804 593 E CB -0.303 29.453 29.700 0.094 0.000 0.741 593 E HN 0.387 nan 8.360 nan 0.000 0.458 594 V N 0.774 120.678 119.914 -0.016 0.000 2.379 594 V HA -0.220 3.901 4.120 0.001 0.000 0.245 594 V C 1.977 178.045 176.094 -0.043 0.000 1.044 594 V CA 1.668 63.918 62.300 -0.084 0.000 1.036 594 V CB -0.534 31.162 31.823 -0.212 0.000 0.664 594 V HN 0.386 nan 8.190 nan 0.000 0.453 595 H N 0.795 119.916 119.070 0.085 0.000 2.352 595 H HA -0.124 4.433 4.556 0.001 0.000 0.299 595 H C 2.650 178.070 175.328 0.153 0.000 1.097 595 H CA 1.980 58.105 56.048 0.130 0.000 1.311 595 H CB -0.550 29.262 29.762 0.084 0.000 1.377 595 H HN 0.621 nan 8.280 nan 0.000 0.504 596 S N 0.729 116.560 115.700 0.217 0.000 2.399 596 S HA -0.134 4.336 4.470 0.001 0.000 0.231 596 S C 1.923 176.597 174.600 0.123 0.000 1.022 596 S CA 0.776 59.065 58.200 0.148 0.000 0.983 596 S CB -0.037 63.229 63.200 0.110 0.000 0.803 596 S HN 0.287 nan 8.310 nan 0.000 0.480 597 Q N -0.112 119.766 119.800 0.131 0.000 2.172 597 Q HA 0.082 4.422 4.340 0.001 0.000 0.200 597 Q C 1.785 177.868 176.000 0.137 0.000 0.964 597 Q CA 0.903 56.770 55.803 0.107 0.000 0.855 597 Q CB -0.487 28.329 28.738 0.130 0.000 0.918 597 Q HN 0.712 nan 8.270 nan 0.000 0.444 598 F N 2.295 122.269 119.950 0.040 0.000 2.206 598 F HA -0.145 4.382 4.527 0.001 0.000 0.298 598 F C 1.425 177.255 175.800 0.050 0.000 1.090 598 F CA 1.146 59.177 58.000 0.052 0.000 1.323 598 F CB 0.029 39.073 39.000 0.073 0.000 1.028 598 F HN 0.001 nan 8.300 nan 0.000 0.492 599 D N 0.663 121.060 120.400 -0.004 0.000 2.092 599 D HA -0.204 4.436 4.640 0.001 0.000 0.193 599 D C 2.447 178.676 176.300 -0.119 0.000 0.994 599 D CA 1.702 55.648 54.000 -0.091 0.000 0.828 599 D CB -0.914 39.898 40.800 0.020 0.000 0.963 599 D HN 0.351 nan 8.370 nan 0.000 0.450 600 A N 0.780 123.563 122.820 -0.062 0.000 1.917 600 A HA -0.186 4.134 4.320 0.001 0.000 0.219 600 A C 2.193 179.698 177.584 -0.131 0.000 1.182 600 A CA 1.456 53.449 52.037 -0.073 0.000 0.633 600 A CB -0.807 18.169 19.000 -0.039 0.000 0.819 600 A HN 0.272 nan 8.150 nan 0.000 0.448 601 L N -0.147 120.972 121.223 -0.173 0.000 2.017 601 L HA -0.147 4.194 4.340 0.001 0.000 0.208 601 L C 2.227 178.950 176.870 -0.245 0.000 1.073 601 L CA 2.416 57.132 54.840 -0.206 0.000 0.745 601 L CB -0.567 41.412 42.059 -0.134 0.000 0.894 601 L HN 0.358 nan 8.230 nan 0.000 0.432 602 K N -0.194 119.983 120.400 -0.372 0.000 2.063 602 K HA -0.171 4.149 4.320 0.001 0.000 0.208 602 K C 2.112 178.616 176.600 -0.161 0.000 1.048 602 K CA 1.397 57.507 56.287 -0.295 0.000 0.928 602 K CB -0.551 31.726 32.500 -0.371 0.000 0.713 602 K HN 0.517 nan 8.250 nan 0.000 0.442 603 A N 2.143 124.879 122.820 -0.139 0.000 1.873 603 A HA -0.251 4.070 4.320 0.001 0.000 0.218 603 A C 2.128 179.664 177.584 -0.080 0.000 1.193 603 A CA 1.811 53.795 52.037 -0.089 0.000 0.629 603 A CB -0.586 18.372 19.000 -0.070 0.000 0.826 603 A HN 0.277 nan 8.150 nan 0.000 0.447 604 R N -0.678 119.765 120.500 -0.096 0.000 2.096 604 R HA -0.061 4.280 4.340 0.001 0.000 0.235 604 R C 2.011 178.253 176.300 -0.096 0.000 1.127 604 R CA 1.526 57.569 56.100 -0.093 0.000 0.968 604 R CB -0.569 29.659 30.300 -0.120 0.000 0.861 604 R HN 0.614 nan 8.270 nan 0.000 0.440 605 I N 0.850 121.358 120.570 -0.102 0.000 2.226 605 I HA -0.191 3.979 4.170 0.001 0.000 0.245 605 I C 1.063 177.163 176.117 -0.029 0.000 1.100 605 I CA 0.737 62.001 61.300 -0.059 0.000 1.374 605 I CB -0.311 37.684 38.000 -0.008 0.000 1.057 605 I HN 0.042 nan 8.210 nan 0.000 0.413 606 S N 0.000 115.679 115.700 -0.035 0.000 2.498 606 S HA 0.000 4.471 4.470 0.001 0.000 0.327 606 S CA 0.000 58.186 58.200 -0.024 0.000 1.107 606 S CB 0.000 63.185 63.200 -0.026 0.000 0.593 606 S HN 0.000 nan 8.310 nan 0.000 0.517