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 1xk7_1_A DATA FIRST_RESID -1 DATA SEQUENCE SHXDHLPXPK FGPLAGLRVV FSGIEIAGPF AGQXFAEWGA EVIWIENVAW DATA SEQUENCE ADTIRVQPNY PQLSRRNLHA LSLNIFKDEG REAFLKLXET TDIFIEASKG DATA SEQUENCE PAFARRGITD EVLWQHNPKL VIAHLSGFGQ YGTEEYTNLP AYNTIAQAFS DATA SEQUENCE GYLIQNGDVD QPXPAFPYTA DYFSGLTATT AALAALHKVR ETGKGESIDI DATA SEQUENCE AXYEVXLRXG QYFXXDYFNG GEXCPRXSKG KDPYYAGCGL YKCADGYIVX DATA SEQUENCE ELVGITQIEE CFKDIGLAHL LGTPEIPEGT QLIHRIECPY GPLVEEKLDA DATA SEQUENCE WLATHTIAEV KERFAELNIA CAKVLTVPEL ESNPQYVARE SITQWQTXDG DATA SEQUENCE RTCKGPNIXP KFKNNPGQIW RGXPSHGXDT AAILKNIGYS ENDIQELVSK DATA SEQUENCE GLAKVED 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 -1 S HA 0.000 nan 4.470 nan 0.000 0.327 -1 S C 0.000 174.622 174.600 0.036 0.000 1.055 -1 S CA 0.000 58.217 58.200 0.028 0.000 1.107 -1 S CB 0.000 63.209 63.200 0.014 0.000 0.593 3 H N -1.591 117.444 119.070 -0.059 0.000 3.012 3 H HA 0.652 5.209 4.556 0.001 0.000 0.367 3 H C -1.106 174.188 175.328 -0.056 0.000 1.211 3 H CA -0.980 55.032 56.048 -0.060 0.000 1.139 3 H CB 0.910 30.640 29.762 -0.053 0.000 1.838 3 H HN -0.072 nan 8.280 nan 0.000 0.550 4 L N 3.595 124.787 121.223 -0.052 0.000 2.360 4 L HA 0.326 4.667 4.340 0.001 0.000 0.276 4 L C -1.741 175.151 176.870 0.037 0.000 1.121 4 L CA -1.735 53.055 54.840 -0.083 0.000 0.845 4 L CB 0.442 42.368 42.059 -0.221 0.000 1.143 4 L HN 0.622 nan 8.230 nan 0.000 0.452 8 K N 2.319 122.748 120.400 0.049 0.000 2.349 8 K HA 0.501 4.822 4.320 0.001 0.000 0.289 8 K C -0.842 175.848 176.600 0.150 0.000 1.064 8 K CA -0.090 56.206 56.287 0.015 0.000 0.947 8 K CB 0.013 32.499 32.500 -0.022 0.000 1.007 8 K HN 0.487 nan 8.250 nan 0.000 0.478 9 F N 0.597 120.510 119.950 -0.062 0.000 2.741 9 F HA 0.584 5.111 4.527 0.001 0.000 0.311 9 F C -0.384 175.398 175.800 -0.030 0.000 1.149 9 F CA -0.158 57.824 58.000 -0.030 0.000 0.930 9 F CB 0.584 39.585 39.000 0.002 0.000 1.312 9 F HN 0.718 nan 8.300 nan 0.000 0.450 10 G N 1.317 110.144 108.800 0.045 0.000 2.781 10 G HA2 -0.038 3.923 3.960 0.001 0.000 0.683 10 G HA3 -0.038 3.923 3.960 0.001 0.000 0.683 10 G C -2.385 172.361 174.900 -0.256 0.000 1.390 10 G CA -0.469 44.558 45.100 -0.123 0.000 0.850 10 G HN 0.759 nan 8.290 nan 0.000 0.557 11 P HA 0.006 nan 4.420 nan 0.000 0.223 11 P C 1.501 178.689 177.300 -0.187 0.000 1.151 11 P CA 1.106 63.997 63.100 -0.349 0.000 0.787 11 P CB 0.103 31.437 31.700 -0.611 0.000 0.788 12 L N -1.185 119.947 121.223 -0.152 0.000 2.818 12 L HA 0.336 4.677 4.340 0.001 0.000 0.243 12 L C 0.936 177.733 176.870 -0.122 0.000 1.185 12 L CA -0.727 54.079 54.840 -0.056 0.000 0.988 12 L CB -0.350 41.761 42.059 0.086 0.000 1.292 12 L HN -0.178 nan 8.230 nan 0.000 0.519 13 A N 0.389 123.085 122.820 -0.208 0.000 2.584 13 A HA 0.329 4.649 4.320 0.001 0.000 0.239 13 A C 1.511 179.016 177.584 -0.131 0.000 1.043 13 A CA 1.038 52.944 52.037 -0.219 0.000 0.756 13 A CB -0.230 18.646 19.000 -0.207 0.000 0.963 13 A HN 0.684 nan 8.150 nan 0.000 0.511 14 G N 0.695 109.421 108.800 -0.123 0.000 2.225 14 G HA2 -0.167 3.794 3.960 0.001 0.000 0.254 14 G HA3 -0.167 3.794 3.960 0.001 0.000 0.254 14 G C 0.173 175.036 174.900 -0.063 0.000 0.988 14 G CA 0.403 45.449 45.100 -0.090 0.000 0.625 14 G HN 1.534 nan 8.290 nan 0.000 0.527 15 L N 1.682 122.876 121.223 -0.049 0.000 2.380 15 L HA 0.638 4.978 4.340 0.001 0.000 0.273 15 L C 0.697 177.542 176.870 -0.041 0.000 1.138 15 L CA -0.339 54.484 54.840 -0.029 0.000 0.832 15 L CB 0.506 42.571 42.059 0.011 0.000 1.124 15 L HN 0.227 nan 8.230 nan 0.000 0.454 16 R N 4.806 125.274 120.500 -0.053 0.000 2.246 16 R HA 0.543 4.884 4.340 0.001 0.000 0.332 16 R C -1.360 174.891 176.300 -0.083 0.000 0.974 16 R CA -0.697 55.370 56.100 -0.056 0.000 0.837 16 R CB 1.299 31.569 30.300 -0.051 0.000 1.145 16 R HN 0.436 nan 8.270 nan 0.000 0.467 17 V N 3.574 123.436 119.914 -0.086 0.000 2.628 17 V HA 0.491 4.612 4.120 0.001 0.000 0.306 17 V C -0.117 175.987 176.094 0.017 0.000 1.045 17 V CA -0.847 61.370 62.300 -0.138 0.000 0.905 17 V CB 2.296 33.902 31.823 -0.362 0.000 0.997 17 V HN 0.383 nan 8.190 nan 0.000 0.436 18 V N 4.774 124.745 119.914 0.095 0.000 2.709 18 V HA 0.643 4.764 4.120 0.001 0.000 0.308 18 V C -0.834 175.456 176.094 0.327 0.000 1.062 18 V CA -0.597 61.830 62.300 0.212 0.000 0.901 18 V CB 1.726 33.699 31.823 0.251 0.000 1.003 18 V HN 0.822 nan 8.190 nan 0.000 0.425 19 F N 1.836 121.904 119.950 0.197 0.000 2.565 19 F HA 0.866 5.393 4.527 0.000 0.000 0.313 19 F C -0.332 175.600 175.800 0.220 0.000 1.091 19 F CA -0.966 57.081 58.000 0.077 0.000 0.915 19 F CB 2.125 41.115 39.000 -0.017 0.000 1.208 19 F HN 0.363 nan 8.300 nan 0.000 0.453 20 S N 2.536 118.425 115.700 0.315 0.000 2.596 20 S HA 0.887 5.358 4.470 0.001 0.000 0.318 20 S C -0.441 174.376 174.600 0.361 0.000 1.097 20 S CA 0.345 58.760 58.200 0.359 0.000 1.080 20 S CB 0.392 63.895 63.200 0.505 0.000 0.991 20 S HN 1.825 nan 8.310 nan 0.000 0.471 21 G N 3.248 112.296 108.800 0.414 0.000 2.339 21 G HA2 0.368 4.328 3.960 0.001 0.000 0.302 21 G HA3 0.368 4.328 3.960 0.001 0.000 0.302 21 G C -1.402 173.705 174.900 0.345 0.000 1.425 21 G CA -0.271 45.020 45.100 0.318 0.000 0.899 21 G HN 1.250 nan 8.290 nan 0.000 0.619 22 I N -3.461 117.231 120.570 0.203 0.000 3.206 22 I HA 0.907 5.077 4.170 0.001 0.000 0.313 22 I C 0.611 176.758 176.117 0.051 0.000 1.103 22 I CA -0.870 60.537 61.300 0.177 0.000 0.985 22 I CB 2.007 40.094 38.000 0.146 0.000 1.240 22 I HN 0.773 nan 8.210 nan 0.000 0.464 23 E N 0.479 120.698 120.200 0.032 0.000 3.132 23 E HA -0.292 4.059 4.350 0.001 0.000 0.362 23 E C 0.674 177.210 176.600 -0.107 0.000 1.473 23 E CA 2.106 58.471 56.400 -0.058 0.000 1.471 23 E CB -1.024 28.600 29.700 -0.126 0.000 1.727 23 E HN 0.794 nan 8.360 nan 0.000 0.509 24 I N 0.765 121.212 120.570 -0.206 0.000 3.098 24 I HA 0.041 4.211 4.170 0.001 0.000 0.241 24 I C 2.538 178.507 176.117 -0.246 0.000 1.081 24 I CA 0.831 61.965 61.300 -0.276 0.000 1.487 24 I CB -0.496 37.180 38.000 -0.541 0.000 1.366 24 I HN 0.497 nan 8.210 nan 0.000 0.463 25 A N 1.426 124.093 122.820 -0.256 0.000 1.859 25 A HA -0.193 4.127 4.320 0.001 0.000 0.217 25 A C 2.338 179.854 177.584 -0.113 0.000 1.198 25 A CA 2.526 54.452 52.037 -0.184 0.000 0.629 25 A CB -1.694 17.213 19.000 -0.156 0.000 0.830 25 A HN 0.502 nan 8.150 nan 0.000 0.446 26 G N -0.400 108.323 108.800 -0.129 0.000 2.433 26 G HA2 -0.106 3.855 3.960 0.001 0.000 0.216 26 G HA3 -0.106 3.855 3.960 0.001 0.000 0.216 26 G C -0.262 174.411 174.900 -0.379 0.000 1.186 26 G CA 1.274 46.277 45.100 -0.161 0.000 0.779 26 G HN 0.510 nan 8.290 nan 0.000 0.543 27 P HA -0.086 nan 4.420 nan 0.000 0.218 27 P C 1.520 178.411 177.300 -0.682 0.000 1.148 27 P CA 0.518 63.024 63.100 -0.989 0.000 0.822 27 P CB -0.094 31.314 31.700 -0.487 0.000 0.784 28 F N 1.025 120.705 119.950 -0.451 0.000 2.095 28 F HA -0.199 4.328 4.527 0.000 0.000 0.298 28 F C 2.187 177.807 175.800 -0.300 0.000 1.104 28 F CA 1.629 59.447 58.000 -0.303 0.000 1.232 28 F CB -0.947 37.936 39.000 -0.196 0.000 0.987 28 F HN -0.131 nan 8.300 nan 0.000 0.475 29 A N 0.236 122.903 122.820 -0.255 0.000 1.883 29 A HA -0.092 4.228 4.320 0.001 0.000 0.217 29 A C 2.497 179.955 177.584 -0.210 0.000 1.186 29 A CA 1.890 53.777 52.037 -0.250 0.000 0.624 29 A CB -1.803 17.140 19.000 -0.095 0.000 0.822 29 A HN 0.522 nan 8.150 nan 0.000 0.444 30 G N -1.226 107.362 108.800 -0.353 0.000 2.394 30 G HA2 -0.053 3.907 3.960 0.001 0.000 0.214 30 G HA3 -0.053 3.907 3.960 0.001 0.000 0.214 30 G C 1.158 176.014 174.900 -0.074 0.000 1.176 30 G CA 0.728 45.714 45.100 -0.190 0.000 0.786 30 G HN 0.529 nan 8.290 nan 0.000 0.533 34 A N 0.302 123.167 122.820 0.074 0.000 2.014 34 A HA -0.031 4.290 4.320 0.001 0.000 0.218 34 A C 1.889 179.582 177.584 0.182 0.000 1.163 34 A CA 1.455 53.590 52.037 0.163 0.000 0.652 34 A CB -0.355 18.758 19.000 0.189 0.000 0.808 34 A HN 0.289 nan 8.150 nan 0.000 0.449 35 E N -0.772 119.411 120.200 -0.027 0.000 2.209 35 E HA -0.190 4.160 4.350 0.001 0.000 0.196 35 E C 0.582 177.458 176.600 0.460 0.000 0.993 35 E CA 0.934 57.381 56.400 0.077 0.000 0.819 35 E CB -0.152 29.428 29.700 -0.200 0.000 0.745 35 E HN 0.916 nan 8.360 nan 0.000 0.477 36 W N -0.266 121.113 121.300 0.131 0.000 2.966 36 W HA 0.412 5.072 4.660 0.000 0.000 0.406 36 W C 1.118 177.498 176.519 -0.231 0.000 1.027 36 W CA 0.170 57.527 57.345 0.020 0.000 1.930 36 W CB 0.202 29.618 29.460 -0.074 0.000 1.144 36 W HN 0.175 nan 8.180 nan 0.000 0.626 37 G N -0.161 108.509 108.800 -0.216 0.000 2.201 37 G HA2 -0.033 3.927 3.960 0.001 0.000 0.212 37 G HA3 -0.033 3.927 3.960 0.001 0.000 0.212 37 G C 0.553 175.190 174.900 -0.439 0.000 0.994 37 G CA -0.305 44.207 45.100 -0.981 0.000 0.644 37 G HN 0.389 nan 8.290 nan 0.000 0.508 38 A N 0.309 123.073 122.820 -0.093 0.000 2.406 38 A HA 0.570 4.890 4.320 0.001 0.000 0.243 38 A C 0.548 178.176 177.584 0.073 0.000 1.082 38 A CA 0.661 52.702 52.037 0.006 0.000 0.786 38 A CB 0.343 19.417 19.000 0.124 0.000 1.029 38 A HN 0.627 nan 8.150 nan 0.000 0.495 39 E N 1.177 121.411 120.200 0.057 0.000 2.129 39 E HA 0.420 4.770 4.350 0.001 0.000 0.283 39 E C -1.359 175.340 176.600 0.164 0.000 1.080 39 E CA -0.230 56.252 56.400 0.136 0.000 0.867 39 E CB 0.421 30.114 29.700 -0.011 0.000 1.056 39 E HN 0.332 nan 8.360 nan 0.000 0.404 40 V N 6.939 127.053 119.914 0.334 0.000 2.409 40 V HA 0.358 4.478 4.120 0.001 0.000 0.291 40 V C 0.049 176.346 176.094 0.339 0.000 1.020 40 V CA -0.695 61.778 62.300 0.288 0.000 0.848 40 V CB 1.450 33.463 31.823 0.316 0.000 0.990 40 V HN 0.649 nan 8.190 nan 0.000 0.430 41 I N 4.411 125.096 120.570 0.193 0.000 2.321 41 I HA 0.292 4.462 4.170 0.001 0.000 0.291 41 I C -0.733 175.346 176.117 -0.062 0.000 0.998 41 I CA -0.263 61.115 61.300 0.130 0.000 1.227 41 I CB 1.155 39.192 38.000 0.062 0.000 1.368 41 I HN 0.705 nan 8.210 nan 0.000 0.466 42 W N 9.495 130.583 121.300 -0.354 0.000 2.342 42 W HA 0.491 5.152 4.660 0.000 0.000 0.310 42 W C -0.903 175.369 176.519 -0.412 0.000 1.128 42 W CA -1.342 55.513 57.345 -0.817 0.000 1.322 42 W CB 0.325 29.554 29.460 -0.384 0.000 1.251 42 W HN 0.255 nan 8.180 nan 0.000 0.439 43 I N 6.716 127.165 120.570 -0.203 0.000 2.342 43 I HA 0.169 4.340 4.170 0.001 0.000 0.291 43 I C 0.337 176.384 176.117 -0.117 0.000 1.010 43 I CA -0.268 60.965 61.300 -0.112 0.000 1.308 43 I CB 0.883 38.896 38.000 0.022 0.000 1.400 43 I HN 0.322 nan 8.210 nan 0.000 0.488 44 E N 5.191 125.272 120.200 -0.200 0.000 2.244 44 E HA 0.352 4.702 4.350 0.001 0.000 0.266 44 E C -0.759 175.838 176.600 -0.005 0.000 0.914 44 E CA -0.982 55.349 56.400 -0.115 0.000 0.794 44 E CB 1.676 31.213 29.700 -0.272 0.000 1.210 44 E HN 0.491 nan 8.360 nan 0.000 0.414 45 N N 0.405 119.137 118.700 0.053 0.000 2.340 45 N HA -0.036 4.705 4.740 0.001 0.000 0.236 45 N C 0.917 176.407 175.510 -0.033 0.000 1.296 45 N CA 0.082 53.136 53.050 0.005 0.000 0.896 45 N CB 1.097 39.628 38.487 0.074 0.000 1.127 45 N HN 0.180 nan 8.380 nan 0.000 0.442 46 V N 1.027 120.828 119.914 -0.189 0.000 2.302 46 V HA -0.129 3.991 4.120 0.001 0.000 0.243 46 V C 2.098 178.050 176.094 -0.237 0.000 1.036 46 V CA 2.057 64.233 62.300 -0.205 0.000 1.020 46 V CB -0.779 30.902 31.823 -0.237 0.000 0.657 46 V HN 0.801 nan 8.190 nan 0.000 0.453 47 A N -0.503 121.968 122.820 -0.582 0.000 2.016 47 A HA 0.044 4.364 4.320 0.001 0.000 0.217 47 A C 0.656 178.028 177.584 -0.353 0.000 1.162 47 A CA 0.660 52.312 52.037 -0.640 0.000 0.662 47 A CB -0.289 18.033 19.000 -1.129 0.000 0.812 47 A HN 0.752 nan 8.150 nan 0.000 0.450 48 W N -2.999 118.332 121.300 0.052 0.000 2.998 48 W HA 0.781 5.441 4.660 0.001 0.000 0.335 48 W C -0.176 176.257 176.519 -0.144 0.000 1.110 48 W CA -1.087 56.247 57.345 -0.019 0.000 1.230 48 W CB 0.539 29.991 29.460 -0.014 0.000 1.405 48 W HN 0.139 nan 8.180 nan 0.000 0.493 49 A N 1.813 124.564 122.820 -0.114 0.000 2.257 49 A HA 0.377 4.698 4.320 0.001 0.000 0.289 49 A C 0.044 177.593 177.584 -0.058 0.000 1.095 49 A CA -0.452 51.323 52.037 -0.436 0.000 0.836 49 A CB 0.317 18.925 19.000 -0.653 0.000 1.111 49 A HN 0.696 nan 8.150 nan 0.000 0.497 50 D N 0.584 120.985 120.400 0.001 0.000 2.586 50 D HA -0.036 4.604 4.640 0.001 0.000 0.234 50 D C 1.628 178.020 176.300 0.154 0.000 1.132 50 D CA 1.126 55.249 54.000 0.205 0.000 0.860 50 D CB 0.696 41.812 40.800 0.528 0.000 1.159 50 D HN 0.570 nan 8.370 nan 0.000 0.490 51 T N 1.861 116.485 114.554 0.118 0.000 3.007 51 T HA -0.177 4.173 4.350 0.001 0.000 0.270 51 T C 2.079 176.832 174.700 0.089 0.000 1.107 51 T CA 0.061 62.208 62.100 0.078 0.000 1.118 51 T CB -0.050 68.841 68.868 0.038 0.000 0.889 51 T HN 0.412 nan 8.240 nan 0.000 0.506 52 I N 1.859 122.501 120.570 0.121 0.000 2.315 52 I HA -0.130 4.040 4.170 0.001 0.000 0.251 52 I C 2.456 178.655 176.117 0.135 0.000 1.125 52 I CA 1.058 62.429 61.300 0.118 0.000 1.392 52 I CB -0.304 37.762 38.000 0.110 0.000 1.065 52 I HN 0.149 nan 8.210 nan 0.000 0.424 53 R N -0.813 119.782 120.500 0.159 0.000 2.241 53 R HA -0.082 4.258 4.340 0.001 0.000 0.224 53 R C 2.139 178.502 176.300 0.105 0.000 1.101 53 R CA 1.096 57.284 56.100 0.146 0.000 0.995 53 R CB -0.345 30.039 30.300 0.139 0.000 0.870 53 R HN 0.288 nan 8.270 nan 0.000 0.463 54 V N 0.992 120.959 119.914 0.090 0.000 2.515 54 V HA -0.158 3.962 4.120 0.001 0.000 0.250 54 V C 0.982 177.123 176.094 0.080 0.000 1.058 54 V CA 1.260 63.605 62.300 0.074 0.000 1.064 54 V CB -0.316 31.544 31.823 0.060 0.000 0.675 54 V HN 0.286 nan 8.190 nan 0.000 0.461 55 Q N 0.962 120.819 119.800 0.096 0.000 2.300 55 Q HA 0.056 4.396 4.340 0.001 0.000 0.280 55 Q C -1.245 174.821 176.000 0.111 0.000 1.033 55 Q CA -1.239 54.631 55.803 0.112 0.000 0.903 55 Q CB 0.281 29.113 28.738 0.156 0.000 1.195 55 Q HN 0.288 nan 8.270 nan 0.000 0.386 56 P HA -0.076 nan 4.420 nan 0.000 0.221 56 P C -0.100 177.252 177.300 0.087 0.000 1.150 56 P CA 1.272 64.421 63.100 0.082 0.000 0.800 56 P CB 0.666 32.407 31.700 0.068 0.000 0.787 57 N N -3.071 115.700 118.700 0.118 0.000 2.354 57 N HA 0.001 4.741 4.740 0.001 0.000 0.253 57 N C 1.410 177.019 175.510 0.165 0.000 1.096 57 N CA -0.318 52.802 53.050 0.115 0.000 0.820 57 N CB -0.732 37.814 38.487 0.098 0.000 1.610 57 N HN -0.167 nan 8.380 nan 0.000 0.501 58 Y N 3.253 123.598 120.300 0.075 0.000 2.139 58 Y HA -0.093 4.457 4.550 0.000 0.000 0.282 58 Y C -1.190 174.763 175.900 0.087 0.000 1.179 58 Y CA 1.762 59.913 58.100 0.084 0.000 1.161 58 Y CB -1.074 37.428 38.460 0.069 0.000 0.970 58 Y HN 0.073 nan 8.280 nan 0.000 0.511 59 P HA -0.168 nan 4.420 nan 0.000 0.221 59 P C 1.329 178.578 177.300 -0.084 0.000 1.145 59 P CA 1.672 64.694 63.100 -0.129 0.000 0.795 59 P CB -0.116 31.604 31.700 0.032 0.000 0.775 60 Q N -1.009 118.810 119.800 0.031 0.000 2.170 60 Q HA -0.133 4.208 4.340 0.001 0.000 0.203 60 Q C 2.028 178.168 176.000 0.234 0.000 0.976 60 Q CA 1.065 56.962 55.803 0.157 0.000 0.858 60 Q CB -0.881 27.967 28.738 0.183 0.000 0.907 60 Q HN 0.311 nan 8.270 nan 0.000 0.433 61 L N 0.473 121.754 121.223 0.097 0.000 2.102 61 L HA -0.026 4.315 4.340 0.001 0.000 0.202 61 L C 2.180 178.890 176.870 -0.267 0.000 1.076 61 L CA 2.021 56.846 54.840 -0.025 0.000 0.761 61 L CB -0.664 41.419 42.059 0.039 0.000 0.921 61 L HN 0.135 nan 8.230 nan 0.000 0.444 62 S N -1.241 114.164 115.700 -0.491 0.000 2.561 62 S HA 0.037 4.507 4.470 0.001 0.000 0.225 62 S C 1.525 175.898 174.600 -0.378 0.000 0.977 62 S CA 0.160 58.067 58.200 -0.488 0.000 0.926 62 S CB -0.273 62.449 63.200 -0.797 0.000 0.769 62 S HN 0.471 nan 8.310 nan 0.000 0.533 63 R N 1.319 121.619 120.500 -0.334 0.000 2.572 63 R HA 0.242 4.583 4.340 0.001 0.000 0.370 63 R C 0.128 176.306 176.300 -0.203 0.000 1.005 63 R CA -0.179 55.712 56.100 -0.349 0.000 1.146 63 R CB 0.185 30.198 30.300 -0.478 0.000 1.390 63 R HN 0.679 nan 8.270 nan 0.000 0.553 64 R N 0.830 121.194 120.500 -0.226 0.000 2.738 64 R HA 0.106 4.446 4.340 0.001 0.000 0.268 64 R C -0.278 175.833 176.300 -0.316 0.000 1.062 64 R CA -0.162 55.765 56.100 -0.289 0.000 1.158 64 R CB 0.205 30.236 30.300 -0.449 0.000 1.046 64 R HN -0.138 nan 8.270 nan 0.000 0.493 65 N N -0.969 117.424 118.700 -0.512 0.000 2.800 65 N HA -0.158 4.582 4.740 0.001 0.000 0.250 65 N C -1.137 174.258 175.510 -0.191 0.000 1.078 65 N CA 1.268 53.969 53.050 -0.582 0.000 0.804 65 N CB -1.099 37.325 38.487 -0.104 0.000 1.135 65 N HN 0.542 nan 8.380 nan 0.000 0.565 66 L N 0.428 121.538 121.223 -0.189 0.000 2.334 66 L HA 0.402 4.743 4.340 0.001 0.000 0.272 66 L C 0.580 177.438 176.870 -0.020 0.000 1.020 66 L CA -0.765 54.111 54.840 0.061 0.000 0.812 66 L CB 1.280 43.459 42.059 0.200 0.000 1.264 66 L HN 0.131 nan 8.230 nan 0.000 0.439 67 H N 1.242 120.471 119.070 0.264 0.000 2.458 67 H HA 0.503 5.059 4.556 0.000 0.000 0.330 67 H C -0.523 174.904 175.328 0.165 0.000 1.111 67 H CA -0.710 55.464 56.048 0.210 0.000 1.245 67 H CB 1.973 31.853 29.762 0.197 0.000 1.456 67 H HN 0.633 nan 8.280 nan 0.000 0.488 68 A N 3.884 126.812 122.820 0.180 0.000 2.271 68 A HA 0.384 4.704 4.320 0.001 0.000 0.317 68 A C -0.733 176.814 177.584 -0.063 0.000 1.245 68 A CA -0.579 51.456 52.037 -0.004 0.000 0.857 68 A CB 0.426 19.353 19.000 -0.123 0.000 1.175 68 A HN 0.459 nan 8.150 nan 0.000 0.512 69 L N 2.756 123.911 121.223 -0.113 0.000 2.322 69 L HA 0.721 5.061 4.340 0.001 0.000 0.281 69 L C 0.003 176.774 176.870 -0.164 0.000 1.014 69 L CA 0.088 54.860 54.840 -0.114 0.000 0.815 69 L CB 2.018 44.036 42.059 -0.068 0.000 1.247 69 L HN 0.499 nan 8.230 nan 0.000 0.421 70 S N 5.520 121.119 115.700 -0.169 0.000 2.566 70 S HA 0.799 5.270 4.470 0.001 0.000 0.324 70 S C -1.277 173.227 174.600 -0.160 0.000 1.081 70 S CA -0.461 57.639 58.200 -0.166 0.000 1.105 70 S CB 0.289 63.320 63.200 -0.282 0.000 0.981 70 S HN 0.639 nan 8.310 nan 0.000 0.464 71 L N 4.955 126.100 121.223 -0.131 0.000 2.513 71 L HA 0.567 4.907 4.340 0.001 0.000 0.261 71 L C -1.097 175.691 176.870 -0.136 0.000 0.945 71 L CA -0.377 54.380 54.840 -0.138 0.000 0.848 71 L CB 2.105 44.090 42.059 -0.123 0.000 1.334 71 L HN 0.625 nan 8.230 nan 0.000 0.407 72 N N 4.329 122.947 118.700 -0.136 0.000 2.482 72 N HA 0.188 4.928 4.740 0.001 0.000 0.242 72 N C 0.957 176.359 175.510 -0.179 0.000 1.100 72 N CA -0.173 52.805 53.050 -0.120 0.000 0.946 72 N CB 0.366 38.802 38.487 -0.086 0.000 1.227 72 N HN 0.729 nan 8.380 nan 0.000 0.508 73 I N -0.589 119.767 120.570 -0.356 0.000 3.291 73 I HA 0.107 4.278 4.170 0.001 0.000 0.279 73 I C 0.020 175.702 176.117 -0.725 0.000 1.294 73 I CA 0.718 61.634 61.300 -0.640 0.000 1.428 73 I CB -0.222 37.054 38.000 -1.206 0.000 1.070 73 I HN 0.106 nan 8.210 nan 0.000 0.478 74 F N 1.328 121.143 119.950 -0.226 0.000 2.704 74 F HA 0.404 4.932 4.527 0.000 0.000 0.304 74 F C 0.996 176.733 175.800 -0.106 0.000 1.094 74 F CA -0.186 57.702 58.000 -0.187 0.000 1.275 74 F CB 0.272 39.145 39.000 -0.212 0.000 1.073 74 F HN -0.093 nan 8.300 nan 0.000 0.586 75 K N 1.111 121.537 120.400 0.045 0.000 2.413 75 K HA 0.220 4.540 4.320 0.001 0.000 0.257 75 K C -0.369 176.233 176.600 0.002 0.000 0.946 75 K CA -0.389 55.914 56.287 0.027 0.000 0.823 75 K CB 0.897 33.407 32.500 0.015 0.000 1.109 75 K HN -0.058 nan 8.250 nan 0.000 0.427 76 D N 2.535 122.943 120.400 0.014 0.000 3.750 76 D HA -0.298 4.342 4.640 0.001 0.000 0.149 76 D C 0.814 177.121 176.300 0.013 0.000 0.867 76 D CA 1.771 55.779 54.000 0.013 0.000 1.010 76 D CB -0.219 40.585 40.800 0.006 0.000 0.462 76 D HN 0.718 nan 8.370 nan 0.000 0.436 77 E N 0.540 120.746 120.200 0.009 0.000 2.268 77 E HA 0.072 4.422 4.350 0.001 0.000 0.195 77 E C 2.033 178.628 176.600 -0.009 0.000 0.995 77 E CA 1.207 57.621 56.400 0.022 0.000 0.836 77 E CB -0.477 29.240 29.700 0.027 0.000 0.763 77 E HN 0.506 nan 8.360 nan 0.000 0.491 78 G N 0.615 109.389 108.800 -0.042 0.000 2.394 78 G HA2 -0.289 3.671 3.960 0.001 0.000 0.215 78 G HA3 -0.289 3.671 3.960 0.001 0.000 0.215 78 G C 1.543 176.411 174.900 -0.054 0.000 1.165 78 G CA 0.529 45.582 45.100 -0.077 0.000 0.784 78 G HN 0.147 nan 8.290 nan 0.000 0.535 79 R N 0.586 121.063 120.500 -0.038 0.000 2.081 79 R HA -0.045 4.295 4.340 0.001 0.000 0.235 79 R C 2.376 178.689 176.300 0.021 0.000 1.131 79 R CA 1.562 57.651 56.100 -0.018 0.000 0.960 79 R CB -0.304 29.991 30.300 -0.008 0.000 0.856 79 R HN 0.442 nan 8.270 nan 0.000 0.436 80 E N -0.067 120.149 120.200 0.027 0.000 2.085 80 E HA -0.206 4.144 4.350 0.001 0.000 0.194 80 E C 1.939 178.576 176.600 0.062 0.000 0.994 80 E CA 1.350 57.779 56.400 0.048 0.000 0.801 80 E CB -0.119 29.637 29.700 0.092 0.000 0.743 80 E HN 0.471 nan 8.360 nan 0.000 0.453 81 A N 0.920 123.779 122.820 0.065 0.000 1.898 81 A HA -0.183 4.138 4.320 0.001 0.000 0.216 81 A C 1.985 179.558 177.584 -0.018 0.000 1.181 81 A CA 1.109 53.162 52.037 0.028 0.000 0.620 81 A CB -0.771 18.092 19.000 -0.228 0.000 0.819 81 A HN 0.369 nan 8.150 nan 0.000 0.442 82 F N 0.596 120.439 119.950 -0.178 0.000 2.102 82 F HA -0.152 4.375 4.527 0.000 0.000 0.298 82 F C 1.864 177.503 175.800 -0.269 0.000 1.105 82 F CA 1.839 59.699 58.000 -0.233 0.000 1.239 82 F CB -0.143 38.683 39.000 -0.290 0.000 0.991 82 F HN 0.136 nan 8.300 nan 0.000 0.474 83 L N 0.157 121.145 121.223 -0.392 0.000 2.141 83 L HA -0.169 4.171 4.340 0.001 0.000 0.209 83 L C 2.378 178.942 176.870 -0.510 0.000 1.094 83 L CA 1.279 55.703 54.840 -0.694 0.000 0.763 83 L CB -0.674 40.830 42.059 -0.925 0.000 0.908 83 L HN 0.109 nan 8.230 nan 0.000 0.437 84 K N 0.736 120.995 120.400 -0.235 0.000 2.057 84 K HA -0.149 4.171 4.320 0.001 0.000 0.207 84 K C 0.987 177.512 176.600 -0.125 0.000 1.049 84 K CA 0.880 57.123 56.287 -0.075 0.000 0.931 84 K CB -0.461 32.069 32.500 0.049 0.000 0.714 84 K HN -0.024 nan 8.250 nan 0.000 0.440 88 T N -0.774 113.746 114.554 -0.057 0.000 3.132 88 T HA 0.224 4.574 4.350 0.001 0.000 0.274 88 T C 0.419 175.088 174.700 -0.052 0.000 1.011 88 T CA -0.169 61.904 62.100 -0.044 0.000 0.899 88 T CB 0.465 69.309 68.868 -0.038 0.000 1.089 88 T HN -0.173 nan 8.240 nan 0.000 0.543 89 T N 2.542 117.055 114.554 -0.069 0.000 2.845 89 T HA 0.273 4.624 4.350 0.001 0.000 0.288 89 T C 0.383 175.064 174.700 -0.032 0.000 0.980 89 T CA -0.576 61.486 62.100 -0.062 0.000 1.071 89 T CB 1.501 70.311 68.868 -0.096 0.000 0.941 89 T HN 0.126 nan 8.240 nan 0.000 0.487 90 D N 1.801 122.182 120.400 -0.032 0.000 2.197 90 D HA 0.133 4.774 4.640 0.001 0.000 0.212 90 D C 0.495 176.789 176.300 -0.009 0.000 0.963 90 D CA 0.978 54.968 54.000 -0.017 0.000 0.864 90 D CB 0.567 41.349 40.800 -0.029 0.000 1.009 90 D HN 0.423 nan 8.370 nan 0.000 0.479 91 I N 0.465 121.004 120.570 -0.052 0.000 2.499 91 I HA 0.217 4.387 4.170 0.001 0.000 0.288 91 I C -1.278 174.845 176.117 0.010 0.000 1.048 91 I CA -0.931 60.328 61.300 -0.068 0.000 1.062 91 I CB 2.553 40.400 38.000 -0.255 0.000 1.238 91 I HN -0.243 nan 8.210 nan 0.000 0.426 92 F N 8.037 127.918 119.950 -0.115 0.000 2.449 92 F HA 0.664 5.192 4.527 0.000 0.000 0.342 92 F C -0.911 174.824 175.800 -0.110 0.000 1.127 92 F CA -0.869 57.077 58.000 -0.089 0.000 0.975 92 F CB 0.963 39.915 39.000 -0.080 0.000 1.146 92 F HN 0.181 nan 8.300 nan 0.000 0.444 93 I N 5.452 125.644 120.570 -0.630 0.000 2.404 93 I HA 0.395 4.565 4.170 0.001 0.000 0.293 93 I C -1.253 174.351 176.117 -0.855 0.000 0.992 93 I CA -0.622 60.328 61.300 -0.583 0.000 1.149 93 I CB 1.880 39.750 38.000 -0.217 0.000 1.315 93 I HN 0.618 nan 8.210 nan 0.000 0.446 94 E N 5.675 125.423 120.200 -0.753 0.000 2.292 94 E HA 0.805 5.155 4.350 0.001 0.000 0.272 94 E C -1.510 174.979 176.600 -0.186 0.000 0.881 94 E CA -0.940 55.158 56.400 -0.503 0.000 0.754 94 E CB 1.956 31.152 29.700 -0.839 0.000 1.201 94 E HN 0.562 nan 8.360 nan 0.000 0.425 95 A N 2.298 125.109 122.820 -0.016 0.000 2.287 95 A HA 0.759 5.079 4.320 0.001 0.000 0.317 95 A C -0.551 177.109 177.584 0.125 0.000 1.220 95 A CA -0.537 51.520 52.037 0.034 0.000 0.835 95 A CB 1.049 20.052 19.000 0.005 0.000 1.180 95 A HN 0.502 nan 8.150 nan 0.000 0.500 96 S N 0.592 116.371 115.700 0.131 0.000 2.638 96 S HA 0.404 4.874 4.470 0.001 0.000 0.274 96 S C -0.735 173.932 174.600 0.112 0.000 1.157 96 S CA -0.747 57.559 58.200 0.177 0.000 0.826 96 S CB 1.499 64.885 63.200 0.310 0.000 1.139 96 S HN 0.618 nan 8.310 nan 0.000 0.474 97 K N 2.148 122.606 120.400 0.096 0.000 2.127 97 K HA 0.439 4.759 4.320 0.001 0.000 0.261 97 K C 0.904 177.559 176.600 0.091 0.000 1.129 97 K CA 0.342 56.678 56.287 0.081 0.000 0.993 97 K CB -0.200 32.330 32.500 0.050 0.000 1.410 97 K HN 0.870 nan 8.250 nan 0.000 0.380 98 G N 4.302 113.168 108.800 0.109 0.000 2.552 98 G HA2 -0.253 3.708 3.960 0.001 0.000 0.265 98 G HA3 -0.253 3.708 3.960 0.001 0.000 0.265 98 G C -2.215 172.734 174.900 0.081 0.000 1.234 98 G CA -0.684 44.475 45.100 0.098 0.000 0.944 98 G HN 0.485 nan 8.290 nan 0.000 0.568 99 P HA 0.405 nan 4.420 nan 0.000 0.228 99 P C 0.899 178.253 177.300 0.089 0.000 1.748 99 P CA 0.956 64.080 63.100 0.040 0.000 0.909 99 P CB 0.171 31.889 31.700 0.030 0.000 1.882 100 A N 0.034 122.935 122.820 0.136 0.000 1.933 100 A HA -0.168 4.153 4.320 0.001 0.000 0.218 100 A C 1.722 179.374 177.584 0.113 0.000 1.175 100 A CA 1.130 53.224 52.037 0.095 0.000 0.628 100 A CB -1.396 17.657 19.000 0.089 0.000 0.814 100 A HN 0.146 nan 8.150 nan 0.000 0.444 101 F N 0.288 120.297 119.950 0.098 0.000 2.095 101 F HA -0.144 4.384 4.527 0.000 0.000 0.298 101 F C 2.800 178.689 175.800 0.147 0.000 1.104 101 F CA 1.073 59.207 58.000 0.224 0.000 1.232 101 F CB -0.647 38.558 39.000 0.342 0.000 0.987 101 F HN 0.262 nan 8.300 nan 0.000 0.475 102 A N -0.161 122.811 122.820 0.253 0.000 1.933 102 A HA -0.187 4.134 4.320 0.001 0.000 0.218 102 A C 2.334 179.967 177.584 0.081 0.000 1.175 102 A CA 1.461 53.583 52.037 0.143 0.000 0.628 102 A CB -0.636 18.416 19.000 0.087 0.000 0.814 102 A HN 0.299 nan 8.150 nan 0.000 0.444 103 R N -0.706 119.820 120.500 0.044 0.000 2.120 103 R HA -0.060 4.280 4.340 0.001 0.000 0.234 103 R C 1.650 177.924 176.300 -0.044 0.000 1.123 103 R CA 1.391 57.487 56.100 -0.007 0.000 0.975 103 R CB -0.190 30.090 30.300 -0.032 0.000 0.866 103 R HN 0.455 nan 8.270 nan 0.000 0.446 104 R N -0.679 119.769 120.500 -0.087 0.000 2.334 104 R HA 0.105 4.446 4.340 0.001 0.000 0.220 104 R C 0.806 177.121 176.300 0.025 0.000 0.917 104 R CA 0.523 56.533 56.100 -0.151 0.000 1.073 104 R CB 0.906 30.866 30.300 -0.566 0.000 1.056 104 R HN 0.401 nan 8.270 nan 0.000 0.506 105 G N 1.307 110.152 108.800 0.074 0.000 2.176 105 G HA2 -0.240 3.720 3.960 0.001 0.000 0.232 105 G HA3 -0.240 3.720 3.960 0.001 0.000 0.232 105 G C 0.270 175.263 174.900 0.156 0.000 0.986 105 G CA -0.416 44.747 45.100 0.105 0.000 0.643 105 G HN 0.278 nan 8.290 nan 0.000 0.522 106 I N 3.529 124.236 120.570 0.228 0.000 2.318 106 I HA 0.243 4.413 4.170 0.001 0.000 0.285 106 I C 1.315 177.610 176.117 0.297 0.000 1.127 106 I CA 0.117 61.587 61.300 0.283 0.000 1.243 106 I CB -0.018 38.204 38.000 0.370 0.000 1.498 106 I HN 0.294 nan 8.210 nan 0.000 0.535 107 T N -1.590 113.073 114.554 0.181 0.000 2.788 107 T HA 0.113 4.463 4.350 0.001 0.000 0.287 107 T C 0.978 175.701 174.700 0.039 0.000 1.007 107 T CA -0.600 61.573 62.100 0.122 0.000 1.005 107 T CB 1.400 70.323 68.868 0.091 0.000 1.012 107 T HN 0.285 nan 8.240 nan 0.000 0.530 108 D N 0.549 120.903 120.400 -0.076 0.000 2.182 108 D HA -0.075 4.565 4.640 0.001 0.000 0.201 108 D C 1.950 177.994 176.300 -0.426 0.000 0.986 108 D CA 1.172 54.895 54.000 -0.463 0.000 0.847 108 D CB -0.213 40.181 40.800 -0.677 0.000 0.942 108 D HN 0.673 nan 8.370 nan 0.000 0.467 109 E N 0.231 120.418 120.200 -0.021 0.000 2.058 109 E HA -0.108 4.242 4.350 0.001 0.000 0.194 109 E C 2.318 179.013 176.600 0.159 0.000 0.997 109 E CA 0.345 56.860 56.400 0.191 0.000 0.801 109 E CB -0.380 29.425 29.700 0.176 0.000 0.746 109 E HN 0.097 nan 8.360 nan 0.000 0.450 110 V N 0.649 120.628 119.914 0.109 0.000 2.343 110 V HA -0.233 3.887 4.120 0.001 0.000 0.247 110 V C 2.236 178.430 176.094 0.168 0.000 1.051 110 V CA 1.437 63.827 62.300 0.151 0.000 1.036 110 V CB -0.452 31.460 31.823 0.149 0.000 0.654 110 V HN 0.237 nan 8.190 nan 0.000 0.451 111 L N -1.492 119.748 121.223 0.029 0.000 2.046 111 L HA -0.194 4.146 4.340 0.001 0.000 0.208 111 L C 2.511 179.418 176.870 0.063 0.000 1.077 111 L CA 1.716 56.526 54.840 -0.050 0.000 0.747 111 L CB -0.543 41.378 42.059 -0.230 0.000 0.896 111 L HN 0.420 nan 8.230 nan 0.000 0.432 112 W N 0.297 121.654 121.300 0.095 0.000 2.519 112 W HA -0.080 4.580 4.660 0.000 0.000 0.266 112 W C 2.508 179.051 176.519 0.039 0.000 1.253 112 W CA 0.485 57.867 57.345 0.061 0.000 1.274 112 W CB -0.695 28.799 29.460 0.056 0.000 1.114 112 W HN 0.345 nan 8.180 nan 0.000 0.596 113 Q N -1.032 118.913 119.800 0.241 0.000 2.124 113 Q HA -0.186 4.154 4.340 0.001 0.000 0.202 113 Q C 1.975 177.947 176.000 -0.047 0.000 0.977 113 Q CA 1.392 57.240 55.803 0.074 0.000 0.850 113 Q CB -0.253 28.502 28.738 0.029 0.000 0.901 113 Q HN 0.382 nan 8.270 nan 0.000 0.429 114 H N -1.381 117.717 119.070 0.048 0.000 2.465 114 H HA 0.109 4.665 4.556 0.000 0.000 0.289 114 H C 0.353 175.685 175.328 0.008 0.000 1.022 114 H CA 0.648 56.697 56.048 0.000 0.000 1.340 114 H CB 0.595 30.322 29.762 -0.057 0.000 1.437 114 H HN 0.068 nan 8.280 nan 0.000 0.539 115 N N 0.207 119.006 118.700 0.165 0.000 2.664 115 N HA 0.065 4.806 4.740 0.001 0.000 0.268 115 N C -2.304 173.348 175.510 0.235 0.000 1.222 115 N CA -1.640 51.492 53.050 0.136 0.000 0.805 115 N CB 1.488 40.026 38.487 0.084 0.000 1.399 115 N HN -0.120 nan 8.380 nan 0.000 0.547 116 P HA -0.080 nan 4.420 nan 0.000 0.225 116 P C 0.418 177.727 177.300 0.014 0.000 1.148 116 P CA 1.004 64.152 63.100 0.081 0.000 0.779 116 P CB 0.524 32.219 31.700 -0.010 0.000 0.780 117 K N -1.011 119.434 120.400 0.075 0.000 2.400 117 K HA 0.069 4.390 4.320 0.001 0.000 0.194 117 K C 0.795 177.478 176.600 0.137 0.000 1.033 117 K CA -0.445 55.873 56.287 0.052 0.000 1.021 117 K CB -0.201 32.316 32.500 0.028 0.000 0.808 117 K HN 0.084 nan 8.250 nan 0.000 0.505 118 L N 2.112 123.490 121.223 0.259 0.000 2.540 118 L HA -0.037 4.303 4.340 0.001 0.000 0.276 118 L C -0.434 176.633 176.870 0.327 0.000 1.212 118 L CA 0.479 55.472 54.840 0.256 0.000 0.893 118 L CB 0.612 42.801 42.059 0.217 0.000 1.138 118 L HN -0.229 nan 8.230 nan 0.000 0.491 119 V N 7.494 127.521 119.914 0.189 0.000 2.406 119 V HA 0.330 4.450 4.120 0.001 0.000 0.272 119 V C 0.282 176.440 176.094 0.108 0.000 1.043 119 V CA -0.254 62.147 62.300 0.169 0.000 0.915 119 V CB 0.943 32.831 31.823 0.109 0.000 0.988 119 V HN 0.558 nan 8.190 nan 0.000 0.466 120 I N 4.453 125.071 120.570 0.081 0.000 2.389 120 I HA 0.696 4.867 4.170 0.001 0.000 0.288 120 I C 0.238 176.233 176.117 -0.204 0.000 0.999 120 I CA -0.452 60.791 61.300 -0.094 0.000 1.129 120 I CB 1.785 39.672 38.000 -0.189 0.000 1.288 120 I HN 0.618 nan 8.210 nan 0.000 0.444 121 A N 5.990 128.625 122.820 -0.309 0.000 2.273 121 A HA 0.568 4.888 4.320 0.001 0.000 0.315 121 A C -0.787 176.562 177.584 -0.391 0.000 1.256 121 A CA -0.532 51.359 52.037 -0.245 0.000 0.851 121 A CB 0.237 19.165 19.000 -0.120 0.000 1.172 121 A HN 0.684 nan 8.150 nan 0.000 0.508 122 H N 3.202 122.220 119.070 -0.088 0.000 2.597 122 H HA 0.317 4.873 4.556 0.001 0.000 0.303 122 H C -0.925 174.369 175.328 -0.056 0.000 1.057 122 H CA -0.129 55.860 56.048 -0.099 0.000 1.261 122 H CB 1.258 30.994 29.762 -0.043 0.000 1.397 122 H HN 0.519 nan 8.280 nan 0.000 0.461 123 L N 3.396 124.635 121.223 0.026 0.000 2.275 123 L HA 0.252 4.592 4.340 0.001 0.000 0.288 123 L C 0.221 177.107 176.870 0.027 0.000 1.046 123 L CA -0.235 54.611 54.840 0.009 0.000 0.805 123 L CB 0.908 42.947 42.059 -0.032 0.000 1.193 123 L HN 0.635 nan 8.230 nan 0.000 0.426 124 S N 1.109 116.823 115.700 0.023 0.000 2.671 124 S HA 0.510 4.980 4.470 0.001 0.000 0.277 124 S C 0.580 175.173 174.600 -0.011 0.000 1.165 124 S CA -0.178 58.042 58.200 0.034 0.000 0.822 124 S CB 1.405 64.656 63.200 0.084 0.000 1.150 124 S HN 0.586 nan 8.310 nan 0.000 0.479 125 G N -0.157 108.637 108.800 -0.009 0.000 2.394 125 G HA2 0.106 4.066 3.960 0.001 0.000 0.215 125 G HA3 0.106 4.066 3.960 0.001 0.000 0.215 125 G C 0.398 175.055 174.900 -0.406 0.000 1.165 125 G CA 0.531 45.495 45.100 -0.227 0.000 0.784 125 G HN 0.603 nan 8.290 nan 0.000 0.535 126 F N 0.130 120.140 119.950 0.101 0.000 2.798 126 F HA 0.472 4.999 4.527 0.000 0.000 0.328 126 F C 1.119 177.015 175.800 0.161 0.000 1.098 126 F CA 0.077 58.189 58.000 0.186 0.000 1.172 126 F CB 1.146 40.146 39.000 0.001 0.000 1.072 126 F HN 0.410 nan 8.300 nan 0.000 0.555 127 G N 0.513 109.426 108.800 0.189 0.000 2.612 127 G HA2 -0.133 3.827 3.960 0.001 0.000 0.686 127 G HA3 -0.133 3.827 3.960 0.001 0.000 0.686 127 G C -0.004 174.947 174.900 0.086 0.000 1.274 127 G CA -0.713 44.437 45.100 0.082 0.000 0.849 127 G HN -0.089 nan 8.290 nan 0.000 0.595 128 Q N -1.015 118.841 119.800 0.092 0.000 2.389 128 Q HA 0.144 4.484 4.340 0.001 0.000 0.204 128 Q C 0.745 176.870 176.000 0.208 0.000 0.944 128 Q CA 1.875 57.748 55.803 0.117 0.000 0.908 128 Q CB 0.154 28.944 28.738 0.088 0.000 1.002 128 Q HN 0.893 nan 8.270 nan 0.000 0.493 129 Y N -3.490 116.859 120.300 0.082 0.000 2.625 129 Y HA 0.703 5.253 4.550 0.000 0.000 0.338 129 Y C 0.173 176.144 175.900 0.118 0.000 1.123 129 Y CA -0.578 57.572 58.100 0.085 0.000 1.046 129 Y CB 0.910 39.412 38.460 0.071 0.000 1.299 129 Y HN -0.028 nan 8.280 nan 0.000 0.464 130 G N 0.506 109.373 108.800 0.111 0.000 2.553 130 G HA2 0.354 4.315 3.960 0.001 0.000 0.106 130 G HA3 0.354 4.315 3.960 0.001 0.000 0.106 130 G C -0.809 174.167 174.900 0.127 0.000 1.126 130 G CA -0.189 44.935 45.100 0.040 0.000 1.075 130 G HN 1.287 nan 8.290 nan 0.000 0.472 131 T N -1.038 113.587 114.554 0.118 0.000 2.927 131 T HA 0.600 4.950 4.350 0.001 0.000 0.281 131 T C 0.835 175.579 174.700 0.073 0.000 0.998 131 T CA 0.324 62.493 62.100 0.115 0.000 1.019 131 T CB 2.032 70.998 68.868 0.163 0.000 1.061 131 T HN 0.302 nan 8.240 nan 0.000 0.518 132 E N 0.416 120.640 120.200 0.039 0.000 2.153 132 E HA -0.129 4.221 4.350 0.001 0.000 0.194 132 E C 1.822 178.382 176.600 -0.067 0.000 0.988 132 E CA 1.074 57.472 56.400 -0.004 0.000 0.811 132 E CB -0.185 29.511 29.700 -0.007 0.000 0.746 132 E HN 0.906 nan 8.360 nan 0.000 0.466 133 E N -0.780 119.359 120.200 -0.102 0.000 2.072 133 E HA -0.159 4.191 4.350 0.001 0.000 0.191 133 E C 1.242 177.557 176.600 -0.475 0.000 0.985 133 E CA 0.896 57.119 56.400 -0.295 0.000 0.801 133 E CB 0.099 29.573 29.700 -0.377 0.000 0.750 133 E HN 0.299 nan 8.360 nan 0.000 0.452 134 Y N -0.874 119.274 120.300 -0.253 0.000 2.558 134 Y HA 0.095 4.646 4.550 0.000 0.000 0.273 134 Y C 2.440 178.053 175.900 -0.477 0.000 1.100 134 Y CA 0.761 58.541 58.100 -0.534 0.000 1.276 134 Y CB 0.080 38.223 38.460 -0.528 0.000 1.196 134 Y HN -0.032 nan 8.280 nan 0.000 0.527 135 T N 0.534 115.067 114.554 -0.036 0.000 2.803 135 T HA -0.146 4.204 4.350 0.001 0.000 0.269 135 T C 1.151 175.877 174.700 0.043 0.000 1.052 135 T CA 1.577 63.707 62.100 0.049 0.000 1.136 135 T CB -0.245 68.664 68.868 0.068 0.000 0.864 135 T HN 0.294 nan 8.240 nan 0.000 0.467 136 N N 0.843 119.528 118.700 -0.026 0.000 2.251 136 N HA 0.251 4.991 4.740 0.001 0.000 0.217 136 N C -0.108 175.390 175.510 -0.020 0.000 1.124 136 N CA -0.027 53.021 53.050 -0.004 0.000 0.843 136 N CB 0.272 38.750 38.487 -0.016 0.000 1.024 136 N HN 0.389 nan 8.380 nan 0.000 0.501 137 L N 2.045 123.227 121.223 -0.069 0.000 2.453 137 L HA 0.261 4.601 4.340 0.001 0.000 0.261 137 L C -1.679 175.275 176.870 0.141 0.000 1.179 137 L CA -1.438 53.371 54.840 -0.052 0.000 0.813 137 L CB 0.150 42.016 42.059 -0.321 0.000 1.110 137 L HN -0.113 nan 8.230 nan 0.000 0.466 138 P HA 0.072 nan 4.420 nan 0.000 0.269 138 P C -1.112 176.309 177.300 0.202 0.000 1.209 138 P CA -0.385 62.810 63.100 0.158 0.000 0.776 138 P CB 0.802 32.648 31.700 0.244 0.000 0.876 139 A N 3.541 126.357 122.820 -0.007 0.000 2.269 139 A HA 0.507 4.827 4.320 0.001 0.000 0.302 139 A C -1.032 176.391 177.584 -0.268 0.000 1.266 139 A CA -0.160 51.835 52.037 -0.069 0.000 0.894 139 A CB -0.355 18.588 19.000 -0.096 0.000 1.147 139 A HN 0.487 nan 8.150 nan 0.000 0.537 140 Y N 1.071 121.381 120.300 0.016 0.000 2.477 140 Y HA 0.242 4.793 4.550 0.000 0.000 0.347 140 Y C 1.184 177.097 175.900 0.022 0.000 0.981 140 Y CA -0.580 57.536 58.100 0.026 0.000 1.033 140 Y CB 2.071 40.565 38.460 0.057 0.000 1.245 140 Y HN 0.858 nan 8.280 nan 0.000 0.455 141 N N 0.177 118.997 118.700 0.201 0.000 2.061 141 N HA -0.241 4.500 4.740 0.001 0.000 0.193 141 N C 1.600 177.203 175.510 0.155 0.000 1.030 141 N CA 2.697 55.836 53.050 0.148 0.000 0.856 141 N CB -0.083 38.522 38.487 0.197 0.000 1.023 141 N HN 0.798 nan 8.380 nan 0.000 0.424 142 T N -1.436 113.229 114.554 0.186 0.000 2.788 142 T HA -0.081 4.270 4.350 0.001 0.000 0.268 142 T C 2.068 176.856 174.700 0.147 0.000 1.044 142 T CA 1.378 63.563 62.100 0.142 0.000 1.139 142 T CB -0.681 68.250 68.868 0.105 0.000 0.867 142 T HN 0.278 nan 8.240 nan 0.000 0.454 143 I N 1.890 122.563 120.570 0.171 0.000 2.252 143 I HA -0.083 4.088 4.170 0.001 0.000 0.245 143 I C 3.210 179.417 176.117 0.151 0.000 1.102 143 I CA 1.128 62.536 61.300 0.181 0.000 1.385 143 I CB -0.599 37.540 38.000 0.232 0.000 1.064 143 I HN 0.332 nan 8.210 nan 0.000 0.414 144 A N 0.151 123.019 122.820 0.078 0.000 1.908 144 A HA -0.263 4.058 4.320 0.001 0.000 0.218 144 A C 2.268 179.935 177.584 0.138 0.000 1.181 144 A CA 1.607 53.675 52.037 0.051 0.000 0.627 144 A CB -0.601 18.395 19.000 -0.006 0.000 0.818 144 A HN 0.475 nan 8.150 nan 0.000 0.445 145 Q N -0.817 119.068 119.800 0.141 0.000 2.079 145 Q HA -0.105 4.235 4.340 0.001 0.000 0.200 145 Q C 2.485 178.608 176.000 0.204 0.000 0.974 145 Q CA 1.308 57.225 55.803 0.191 0.000 0.840 145 Q CB -0.377 28.486 28.738 0.210 0.000 0.898 145 Q HN 0.687 nan 8.270 nan 0.000 0.430 146 A N 0.459 123.391 122.820 0.187 0.000 1.902 146 A HA -0.185 4.136 4.320 0.001 0.000 0.217 146 A C 1.779 179.487 177.584 0.206 0.000 1.181 146 A CA 1.151 53.294 52.037 0.177 0.000 0.623 146 A CB -0.669 18.438 19.000 0.178 0.000 0.818 146 A HN 0.396 nan 8.150 nan 0.000 0.443 147 F N 1.174 121.170 119.950 0.076 0.000 2.456 147 F HA -0.023 4.504 4.527 0.001 0.000 0.298 147 F C 2.348 178.176 175.800 0.047 0.000 1.104 147 F CA 1.416 59.442 58.000 0.042 0.000 1.435 147 F CB 0.142 39.149 39.000 0.012 0.000 1.078 147 F HN 0.289 nan 8.300 nan 0.000 0.546 148 S N -1.374 114.436 115.700 0.183 0.000 2.540 148 S HA 0.339 4.809 4.470 0.001 0.000 0.218 148 S C 1.658 176.332 174.600 0.124 0.000 0.977 148 S CA 0.285 58.593 58.200 0.179 0.000 0.918 148 S CB 0.034 63.365 63.200 0.218 0.000 0.806 148 S HN 0.580 nan 8.310 nan 0.000 0.496 149 G N 0.464 109.312 108.800 0.079 0.000 2.148 149 G HA2 -0.372 3.588 3.960 0.001 0.000 0.254 149 G HA3 -0.372 3.588 3.960 0.001 0.000 0.254 149 G C 0.262 175.218 174.900 0.094 0.000 0.981 149 G CA 0.491 45.617 45.100 0.043 0.000 0.670 149 G HN 0.542 nan 8.290 nan 0.000 0.528 150 Y N -0.023 120.294 120.300 0.027 0.000 2.269 150 Y HA 0.372 4.922 4.550 0.000 0.000 0.294 150 Y C 2.697 178.617 175.900 0.033 0.000 1.120 150 Y CA 1.856 59.976 58.100 0.034 0.000 1.159 150 Y CB -0.239 38.249 38.460 0.047 0.000 1.024 150 Y HN 0.278 nan 8.280 nan 0.000 0.532 151 L N -0.677 120.650 121.223 0.173 0.000 2.017 151 L HA -0.217 4.123 4.340 0.001 0.000 0.208 151 L C 2.235 179.106 176.870 0.002 0.000 1.073 151 L CA 1.435 56.331 54.840 0.093 0.000 0.745 151 L CB -0.443 41.680 42.059 0.107 0.000 0.894 151 L HN 0.286 nan 8.230 nan 0.000 0.432 152 I N -0.030 120.533 120.570 -0.011 0.000 2.567 152 I HA -0.314 3.856 4.170 0.001 0.000 0.257 152 I C 2.371 178.435 176.117 -0.088 0.000 1.184 152 I CA 1.581 62.852 61.300 -0.049 0.000 1.451 152 I CB -0.193 37.773 38.000 -0.057 0.000 1.089 152 I HN 0.503 nan 8.210 nan 0.000 0.441 153 Q N -1.040 118.689 119.800 -0.119 0.000 2.356 153 Q HA 0.137 4.477 4.340 0.001 0.000 0.205 153 Q C 0.303 176.198 176.000 -0.174 0.000 0.901 153 Q CA -0.024 55.687 55.803 -0.153 0.000 0.938 153 Q CB -0.165 28.482 28.738 -0.152 0.000 1.081 153 Q HN 0.431 nan 8.270 nan 0.000 0.517 154 N N 0.760 119.362 118.700 -0.163 0.000 2.489 154 N HA 0.469 5.209 4.740 0.001 0.000 0.284 154 N C 0.155 175.613 175.510 -0.087 0.000 1.158 154 N CA 0.965 53.937 53.050 -0.129 0.000 0.965 154 N CB 1.584 40.012 38.487 -0.098 0.000 1.195 154 N HN 0.370 nan 8.380 nan 0.000 0.506 155 G N 0.932 109.685 108.800 -0.079 0.000 2.500 155 G HA2 -0.190 3.770 3.960 0.001 0.000 0.209 155 G HA3 -0.190 3.770 3.960 0.001 0.000 0.209 155 G C -1.207 173.640 174.900 -0.088 0.000 1.283 155 G CA -0.636 44.420 45.100 -0.074 0.000 0.960 155 G HN 0.549 nan 8.290 nan 0.000 0.528 156 D N -0.884 119.466 120.400 -0.082 0.000 2.332 156 D HA 0.554 5.194 4.640 0.001 0.000 0.252 156 D C 2.128 178.377 176.300 -0.087 0.000 1.050 156 D CA 0.091 54.039 54.000 -0.086 0.000 0.970 156 D CB 1.736 42.492 40.800 -0.074 0.000 1.141 156 D HN 0.414 nan 8.370 nan 0.000 0.485 157 V N 1.376 121.235 119.914 -0.091 0.000 2.252 157 V HA -0.264 3.857 4.120 0.001 0.000 0.255 157 V C 1.038 177.087 176.094 -0.074 0.000 1.071 157 V CA 2.021 64.267 62.300 -0.090 0.000 1.050 157 V CB -0.298 31.476 31.823 -0.083 0.000 0.654 157 V HN 0.605 nan 8.190 nan 0.000 0.448 158 D N -0.712 119.652 120.400 -0.062 0.000 2.559 158 D HA 0.293 4.933 4.640 0.001 0.000 0.234 158 D C 0.332 176.604 176.300 -0.047 0.000 1.226 158 D CA 0.105 54.074 54.000 -0.051 0.000 0.830 158 D CB 0.924 41.698 40.800 -0.042 0.000 1.028 158 D HN 0.422 nan 8.370 nan 0.000 0.492 159 Q N 1.534 121.302 119.800 -0.052 0.000 3.025 159 Q HA 0.219 4.559 4.340 0.001 0.000 0.216 159 Q C -2.817 173.152 176.000 -0.051 0.000 0.828 159 Q CA -1.354 54.421 55.803 -0.047 0.000 0.806 159 Q CB 2.182 30.892 28.738 -0.046 0.000 1.423 159 Q HN -0.114 nan 8.270 nan 0.000 0.455 163 A N 0.941 123.887 122.820 0.210 0.000 2.407 163 A HA 0.613 4.933 4.320 0.001 0.000 0.248 163 A C -0.761 176.943 177.584 0.199 0.000 1.082 163 A CA 0.012 52.185 52.037 0.226 0.000 0.785 163 A CB 0.097 19.309 19.000 0.353 0.000 1.020 163 A HN 0.509 nan 8.150 nan 0.000 0.489 164 F N 2.604 122.548 119.950 -0.010 0.000 2.576 164 F HA 0.689 5.217 4.527 0.000 0.000 0.313 164 F C -2.289 173.464 175.800 -0.079 0.000 1.078 164 F CA -1.883 56.063 58.000 -0.090 0.000 0.921 164 F CB 2.281 41.216 39.000 -0.108 0.000 1.232 164 F HN 0.465 nan 8.300 nan 0.000 0.459 165 P HA 0.343 nan 4.420 nan 0.000 0.300 165 P C -1.493 175.551 177.300 -0.428 0.000 1.326 165 P CA -0.195 62.183 63.100 -1.203 0.000 0.844 165 P CB 0.721 31.682 31.700 -1.232 0.000 0.992 166 Y N -0.131 120.009 120.300 -0.268 0.000 3.396 166 Y HA -0.274 4.277 4.550 0.000 0.000 0.214 166 Y C 1.732 177.612 175.900 -0.033 0.000 1.203 166 Y CA 1.114 59.133 58.100 -0.134 0.000 1.401 166 Y CB -3.089 35.242 38.460 -0.215 0.000 1.409 166 Y HN 0.340 nan 8.280 nan 0.000 0.594 167 T N -1.162 113.446 114.554 0.090 0.000 2.699 167 T HA -0.280 4.070 4.350 0.001 0.000 0.268 167 T C 2.098 176.871 174.700 0.123 0.000 1.036 167 T CA 1.741 63.909 62.100 0.114 0.000 1.147 167 T CB -0.274 68.676 68.868 0.136 0.000 0.862 167 T HN 0.710 nan 8.240 nan 0.000 0.446 168 A N 1.705 124.578 122.820 0.089 0.000 1.972 168 A HA -0.132 4.188 4.320 0.001 0.000 0.219 168 A C 2.092 179.675 177.584 -0.001 0.000 1.169 168 A CA 1.591 53.663 52.037 0.058 0.000 0.635 168 A CB -0.522 18.487 19.000 0.015 0.000 0.810 168 A HN 0.343 nan 8.150 nan 0.000 0.446 169 D N -1.202 119.136 120.400 -0.103 0.000 2.117 169 D HA -0.133 4.508 4.640 0.001 0.000 0.197 169 D C 1.594 177.655 176.300 -0.397 0.000 0.987 169 D CA 1.355 55.184 54.000 -0.286 0.000 0.829 169 D CB -0.354 40.167 40.800 -0.464 0.000 0.961 169 D HN 0.612 nan 8.370 nan 0.000 0.460 170 Y N -0.415 119.714 120.300 -0.286 0.000 2.220 170 Y HA -0.066 4.484 4.550 0.000 0.000 0.291 170 Y C 2.220 177.988 175.900 -0.221 0.000 1.129 170 Y CA 0.489 58.276 58.100 -0.522 0.000 1.161 170 Y CB -0.606 37.444 38.460 -0.683 0.000 0.997 170 Y HN -0.101 nan 8.280 nan 0.000 0.522 171 F N -0.118 119.836 119.950 0.006 0.000 2.134 171 F HA -0.241 4.287 4.527 0.001 0.000 0.299 171 F C 2.518 178.318 175.800 -0.000 0.000 1.097 171 F CA 1.681 59.681 58.000 0.001 0.000 1.264 171 F CB -0.852 38.105 39.000 -0.071 0.000 1.001 171 F HN -0.104 nan 8.300 nan 0.000 0.479 172 S N -0.394 115.399 115.700 0.156 0.000 2.357 172 S HA -0.083 4.387 4.470 0.001 0.000 0.221 172 S C 2.476 177.118 174.600 0.070 0.000 1.031 172 S CA 1.073 59.313 58.200 0.066 0.000 0.982 172 S CB -1.111 62.086 63.200 -0.005 0.000 0.853 172 S HN 0.474 nan 8.310 nan 0.000 0.458 173 G N 1.981 110.832 108.800 0.085 0.000 2.446 173 G HA2 -0.191 3.769 3.960 0.001 0.000 0.217 173 G HA3 -0.191 3.769 3.960 0.001 0.000 0.217 173 G C 1.396 176.409 174.900 0.189 0.000 1.168 173 G CA 0.936 46.135 45.100 0.164 0.000 0.771 173 G HN 0.386 nan 8.290 nan 0.000 0.551 174 L N 0.997 122.401 121.223 0.302 0.000 2.042 174 L HA -0.031 4.309 4.340 0.001 0.000 0.210 174 L C 2.989 179.920 176.870 0.102 0.000 1.076 174 L CA 2.524 57.482 54.840 0.196 0.000 0.749 174 L CB -0.998 41.226 42.059 0.274 0.000 0.893 174 L HN 0.210 nan 8.230 nan 0.000 0.432 175 T N -0.261 114.370 114.554 0.127 0.000 2.720 175 T HA -0.201 4.149 4.350 0.001 0.000 0.268 175 T C 1.899 176.634 174.700 0.058 0.000 1.037 175 T CA 1.367 63.521 62.100 0.090 0.000 1.144 175 T CB -0.522 68.394 68.868 0.080 0.000 0.864 175 T HN 0.532 nan 8.240 nan 0.000 0.444 176 A N 1.319 124.168 122.820 0.048 0.000 1.902 176 A HA -0.132 4.188 4.320 0.001 0.000 0.217 176 A C 2.569 180.190 177.584 0.062 0.000 1.181 176 A CA 2.115 54.176 52.037 0.041 0.000 0.623 176 A CB -1.288 17.722 19.000 0.017 0.000 0.818 176 A HN 0.479 nan 8.150 nan 0.000 0.443 177 T N 0.154 114.707 114.554 -0.003 0.000 2.652 177 T HA -0.155 4.196 4.350 0.001 0.000 0.267 177 T C 2.035 176.706 174.700 -0.047 0.000 1.039 177 T CA 2.092 64.115 62.100 -0.129 0.000 1.153 177 T CB -0.740 67.852 68.868 -0.460 0.000 0.863 177 T HN 0.602 nan 8.240 nan 0.000 0.428 178 T N 2.215 116.765 114.554 -0.006 0.000 2.652 178 T HA -0.091 4.259 4.350 0.001 0.000 0.267 178 T C 2.414 177.161 174.700 0.078 0.000 1.039 178 T CA 1.331 63.460 62.100 0.048 0.000 1.153 178 T CB -0.693 68.214 68.868 0.064 0.000 0.863 178 T HN 0.450 nan 8.240 nan 0.000 0.428 179 A N 1.438 124.306 122.820 0.080 0.000 1.933 179 A HA 0.192 4.512 4.320 0.001 0.000 0.218 179 A C 2.662 180.316 177.584 0.116 0.000 1.175 179 A CA 1.818 53.908 52.037 0.088 0.000 0.628 179 A CB -1.116 17.929 19.000 0.075 0.000 0.814 179 A HN 0.524 nan 8.150 nan 0.000 0.444 180 A N -0.713 122.195 122.820 0.147 0.000 1.902 180 A HA -0.002 4.319 4.320 0.001 0.000 0.217 180 A C 1.978 179.691 177.584 0.216 0.000 1.181 180 A CA 1.624 53.773 52.037 0.188 0.000 0.623 180 A CB -0.495 18.663 19.000 0.264 0.000 0.818 180 A HN 0.386 nan 8.150 nan 0.000 0.443 181 L N -0.482 120.884 121.223 0.238 0.000 2.131 181 L HA -0.097 4.243 4.340 0.001 0.000 0.210 181 L C 2.876 179.845 176.870 0.166 0.000 1.092 181 L CA 1.734 56.704 54.840 0.216 0.000 0.759 181 L CB -1.284 40.880 42.059 0.174 0.000 0.903 181 L HN 0.427 nan 8.230 nan 0.000 0.435 182 A N -0.907 121.995 122.820 0.137 0.000 1.873 182 A HA -0.071 4.249 4.320 0.001 0.000 0.215 182 A C 2.475 180.150 177.584 0.153 0.000 1.186 182 A CA 1.534 53.646 52.037 0.125 0.000 0.616 182 A CB -0.773 18.282 19.000 0.092 0.000 0.823 182 A HN 0.374 nan 8.150 nan 0.000 0.442 183 A N -0.525 122.376 122.820 0.135 0.000 1.933 183 A HA -0.050 4.271 4.320 0.001 0.000 0.218 183 A C 2.103 179.759 177.584 0.119 0.000 1.175 183 A CA 1.685 53.796 52.037 0.123 0.000 0.628 183 A CB -0.613 18.459 19.000 0.121 0.000 0.814 183 A HN 0.632 nan 8.150 nan 0.000 0.444 184 L N -0.697 120.606 121.223 0.134 0.000 2.042 184 L HA -0.210 4.131 4.340 0.001 0.000 0.210 184 L C 2.325 179.262 176.870 0.111 0.000 1.076 184 L CA 2.810 57.720 54.840 0.117 0.000 0.749 184 L CB -0.789 41.352 42.059 0.138 0.000 0.893 184 L HN 0.645 nan 8.230 nan 0.000 0.432 185 H N -0.529 118.575 119.070 0.055 0.000 2.319 185 H HA -0.232 4.325 4.556 0.000 0.000 0.299 185 H C 2.243 177.588 175.328 0.028 0.000 1.092 185 H CA 2.318 58.390 56.048 0.040 0.000 1.302 185 H CB 0.011 29.798 29.762 0.041 0.000 1.373 185 H HN 0.221 nan 8.280 nan 0.000 0.497 186 K N -0.037 120.366 120.400 0.005 0.000 2.097 186 K HA -0.070 4.251 4.320 0.001 0.000 0.206 186 K C 2.149 178.700 176.600 -0.081 0.000 1.049 186 K CA 1.337 57.592 56.287 -0.054 0.000 0.933 186 K CB -0.550 31.967 32.500 0.028 0.000 0.717 186 K HN 0.251 nan 8.250 nan 0.000 0.442 187 V N 1.003 120.893 119.914 -0.040 0.000 2.407 187 V HA -0.203 3.917 4.120 0.001 0.000 0.248 187 V C 2.137 178.191 176.094 -0.066 0.000 1.055 187 V CA 1.929 64.206 62.300 -0.038 0.000 1.049 187 V CB -0.474 31.349 31.823 -0.000 0.000 0.662 187 V HN 0.312 nan 8.190 nan 0.000 0.455 188 R N 0.118 120.563 120.500 -0.093 0.000 2.357 188 R HA -0.093 4.248 4.340 0.001 0.000 0.202 188 R C 1.922 178.149 176.300 -0.121 0.000 1.047 188 R CA 1.115 57.156 56.100 -0.098 0.000 1.034 188 R CB 0.007 30.251 30.300 -0.093 0.000 0.875 188 R HN 0.785 nan 8.270 nan 0.000 0.473 189 E N -1.100 119.015 120.200 -0.143 0.000 2.354 189 E HA -0.029 4.321 4.350 0.001 0.000 0.203 189 E C 1.442 177.994 176.600 -0.080 0.000 0.841 189 E CA 0.919 57.250 56.400 -0.114 0.000 1.046 189 E CB -0.102 29.514 29.700 -0.140 0.000 1.040 189 E HN 0.153 nan 8.360 nan 0.000 0.504 190 T N -2.036 112.470 114.554 -0.079 0.000 3.031 190 T HA 0.288 4.638 4.350 0.001 0.000 0.254 190 T C 1.691 176.352 174.700 -0.065 0.000 1.060 190 T CA 0.940 63.000 62.100 -0.066 0.000 1.135 190 T CB 0.257 69.085 68.868 -0.066 0.000 0.896 190 T HN 0.406 nan 8.240 nan 0.000 0.472 191 G N 1.577 110.339 108.800 -0.064 0.000 2.148 191 G HA2 -0.196 3.765 3.960 0.001 0.000 0.254 191 G HA3 -0.196 3.765 3.960 0.001 0.000 0.254 191 G C -0.097 174.759 174.900 -0.073 0.000 0.981 191 G CA 0.157 45.222 45.100 -0.057 0.000 0.670 191 G HN 0.644 nan 8.290 nan 0.000 0.528 192 K N 0.477 120.822 120.400 -0.092 0.000 2.292 192 K HA 0.590 4.910 4.320 0.001 0.000 0.257 192 K C 0.911 177.428 176.600 -0.139 0.000 0.940 192 K CA -0.074 56.123 56.287 -0.151 0.000 0.811 192 K CB 1.976 34.368 32.500 -0.179 0.000 1.120 192 K HN 0.246 nan 8.250 nan 0.000 0.428 193 G N 1.211 109.895 108.800 -0.193 0.000 2.516 193 G HA2 0.230 4.191 3.960 0.001 0.000 0.276 193 G HA3 0.230 4.191 3.960 0.001 0.000 0.276 193 G C -0.587 174.315 174.900 0.002 0.000 1.390 193 G CA 0.273 45.363 45.100 -0.016 0.000 1.050 193 G HN 0.501 nan 8.290 nan 0.000 0.519 194 E N -2.095 118.295 120.200 0.316 0.000 2.392 194 E HA 0.530 4.881 4.350 0.001 0.000 0.279 194 E C -1.286 175.632 176.600 0.530 0.000 0.964 194 E CA -0.617 55.989 56.400 0.344 0.000 0.777 194 E CB 1.931 31.741 29.700 0.184 0.000 1.249 194 E HN 0.469 nan 8.360 nan 0.000 0.449 195 S N 3.088 119.077 115.700 0.481 0.000 2.502 195 S HA 0.725 5.196 4.470 0.001 0.000 0.304 195 S C -1.015 173.729 174.600 0.240 0.000 1.097 195 S CA -0.633 57.761 58.200 0.323 0.000 1.045 195 S CB 0.250 63.655 63.200 0.341 0.000 1.019 195 S HN 0.431 nan 8.310 nan 0.000 0.481 196 I N 3.606 124.279 120.570 0.172 0.000 2.389 196 I HA 0.352 4.523 4.170 0.001 0.000 0.288 196 I C -0.882 175.336 176.117 0.168 0.000 0.999 196 I CA -0.738 60.648 61.300 0.143 0.000 1.129 196 I CB 1.874 39.927 38.000 0.090 0.000 1.288 196 I HN 0.512 nan 8.210 nan 0.000 0.444 197 D N 7.963 128.462 120.400 0.164 0.000 2.467 197 D HA 0.389 5.029 4.640 0.001 0.000 0.220 197 D C -0.694 175.657 176.300 0.084 0.000 1.103 197 D CA -0.295 53.798 54.000 0.156 0.000 0.886 197 D CB 0.553 41.464 40.800 0.185 0.000 1.025 197 D HN 0.286 nan 8.370 nan 0.000 0.514 198 I N 3.241 123.848 120.570 0.061 0.000 2.287 198 I HA 0.455 4.626 4.170 0.001 0.000 0.290 198 I C 0.793 176.897 176.117 -0.022 0.000 1.069 198 I CA -0.408 60.898 61.300 0.009 0.000 1.237 198 I CB 1.283 39.288 38.000 0.010 0.000 1.418 198 I HN 0.329 nan 8.210 nan 0.000 0.481 202 E N 1.722 121.516 120.200 -0.675 0.000 2.112 202 E HA 0.069 4.420 4.350 0.001 0.000 0.190 202 E C 0.804 177.276 176.600 -0.214 0.000 0.979 202 E CA 0.959 57.078 56.400 -0.470 0.000 0.814 202 E CB 0.302 29.687 29.700 -0.525 0.000 0.762 202 E HN 0.227 nan 8.360 nan 0.000 0.460 209 Q N -0.410 119.479 119.800 0.149 0.000 2.402 209 Q HA 0.153 4.494 4.340 0.001 0.000 0.206 209 Q C 1.626 177.678 176.000 0.087 0.000 0.919 209 Q CA -0.079 55.804 55.803 0.132 0.000 0.923 209 Q CB 0.059 28.872 28.738 0.126 0.000 1.048 209 Q HN 0.644 nan 8.270 nan 0.000 0.515 210 Y N 0.240 120.500 120.300 -0.066 0.000 2.102 210 Y HA -0.258 4.293 4.550 0.001 0.000 0.280 210 Y C 0.444 176.117 175.900 -0.378 0.000 1.178 210 Y CA 1.457 59.395 58.100 -0.269 0.000 1.146 210 Y CB 0.079 38.278 38.460 -0.435 0.000 0.968 210 Y HN -0.042 nan 8.280 nan 0.000 0.504 215 Y N 1.499 121.754 120.300 -0.075 0.000 2.128 215 Y HA -0.179 4.372 4.550 0.001 0.000 0.284 215 Y C 1.900 177.766 175.900 -0.057 0.000 1.154 215 Y CA 1.895 59.915 58.100 -0.133 0.000 1.149 215 Y CB -0.294 37.989 38.460 -0.295 0.000 0.976 215 Y HN -0.109 nan 8.280 nan 0.000 0.505 216 F N 0.314 120.293 119.950 0.048 0.000 2.365 216 F HA -0.096 4.431 4.527 0.000 0.000 0.300 216 F C 1.216 176.956 175.800 -0.100 0.000 1.090 216 F CA 1.060 59.036 58.000 -0.040 0.000 1.408 216 F CB -0.413 38.632 39.000 0.074 0.000 1.060 216 F HN 0.184 nan 8.300 nan 0.000 0.534 217 N N -0.782 117.972 118.700 0.089 0.000 2.497 217 N HA 0.251 4.991 4.740 0.001 0.000 0.284 217 N C 1.175 176.679 175.510 -0.011 0.000 1.459 217 N CA 0.779 53.853 53.050 0.039 0.000 0.899 217 N CB 1.079 39.602 38.487 0.059 0.000 1.316 217 N HN 0.269 nan 8.380 nan 0.000 0.500 218 G N -0.390 108.374 108.800 -0.060 0.000 2.176 218 G HA2 -0.211 3.749 3.960 0.001 0.000 0.232 218 G HA3 -0.211 3.749 3.960 0.001 0.000 0.232 218 G C 0.469 175.341 174.900 -0.046 0.000 0.986 218 G CA -0.066 44.997 45.100 -0.062 0.000 0.643 218 G HN 0.566 nan 8.290 nan 0.000 0.522 219 G N -0.751 108.031 108.800 -0.029 0.000 2.782 219 G HA2 0.700 4.660 3.960 0.001 0.000 0.201 219 G HA3 0.700 4.660 3.960 0.001 0.000 0.201 219 G C -0.140 174.778 174.900 0.030 0.000 1.374 219 G CA 0.045 45.148 45.100 0.005 0.000 1.039 219 G HN 0.431 nan 8.290 nan 0.000 0.576 223 P HA 0.420 nan 4.420 nan 0.000 0.274 223 P C -0.173 176.930 177.300 -0.329 0.000 1.246 223 P CA -0.071 62.847 63.100 -0.303 0.000 0.795 223 P CB 0.625 32.146 31.700 -0.298 0.000 1.006 227 K N 3.033 123.370 120.400 -0.104 0.000 3.071 227 K HA -0.222 4.098 4.320 0.001 0.000 0.262 227 K C 0.943 177.469 176.600 -0.124 0.000 0.977 227 K CA 1.024 57.250 56.287 -0.102 0.000 0.721 227 K CB -1.852 30.598 32.500 -0.082 0.000 1.293 227 K HN 1.742 nan 8.250 nan 0.000 0.475 228 G N -0.262 108.466 108.800 -0.120 0.000 2.162 228 G HA2 -0.360 3.600 3.960 0.001 0.000 0.260 228 G HA3 -0.360 3.600 3.960 0.001 0.000 0.260 228 G C -0.026 174.804 174.900 -0.116 0.000 0.976 228 G CA 0.727 45.761 45.100 -0.110 0.000 0.655 228 G HN 0.367 nan 8.290 nan 0.000 0.533 229 K N 0.537 120.844 120.400 -0.155 0.000 2.185 229 K HA 0.366 4.686 4.320 0.001 0.000 0.271 229 K C 0.122 176.664 176.600 -0.095 0.000 1.013 229 K CA -0.572 55.624 56.287 -0.152 0.000 0.943 229 K CB 0.853 33.226 32.500 -0.212 0.000 0.998 229 K HN 0.265 nan 8.250 nan 0.000 0.468 230 D N 2.587 122.969 120.400 -0.029 0.000 2.525 230 D HA -0.059 4.581 4.640 0.001 0.000 0.235 230 D C -1.194 175.022 176.300 -0.140 0.000 1.137 230 D CA -0.993 52.996 54.000 -0.019 0.000 0.868 230 D CB 0.829 41.694 40.800 0.109 0.000 1.180 230 D HN 0.234 nan 8.370 nan 0.000 0.465 231 P HA -0.155 nan 4.420 nan 0.000 0.220 231 P C 0.197 177.108 177.300 -0.649 0.000 1.148 231 P CA 1.392 64.161 63.100 -0.552 0.000 0.803 231 P CB 0.148 31.315 31.700 -0.887 0.000 0.782 232 Y N -2.858 117.226 120.300 -0.360 0.000 2.652 232 Y HA 0.233 4.783 4.550 0.001 0.000 0.275 232 Y C 0.735 176.098 175.900 -0.894 0.000 1.133 232 Y CA -0.349 57.299 58.100 -0.752 0.000 1.246 232 Y CB -0.188 37.682 38.460 -0.983 0.000 1.334 232 Y HN -0.232 nan 8.280 nan 0.000 0.493 233 Y N 0.673 120.960 120.300 -0.021 0.000 2.328 233 Y HA 0.649 5.200 4.550 0.000 0.000 0.337 233 Y C 0.384 176.314 175.900 0.051 0.000 0.966 233 Y CA -1.980 56.123 58.100 0.004 0.000 1.136 233 Y CB 0.760 39.252 38.460 0.054 0.000 1.170 233 Y HN -0.027 nan 8.280 nan 0.000 0.470 234 A N 2.020 124.964 122.820 0.208 0.000 2.498 234 A HA 0.438 4.758 4.320 0.001 0.000 0.239 234 A C 1.380 179.098 177.584 0.223 0.000 1.068 234 A CA 0.586 52.744 52.037 0.201 0.000 0.766 234 A CB -0.650 18.465 19.000 0.192 0.000 1.003 234 A HN 1.580 nan 8.150 nan 0.000 0.497 235 G N -0.034 108.929 108.800 0.273 0.000 2.155 235 G HA2 -0.227 3.733 3.960 0.001 0.000 0.257 235 G HA3 -0.227 3.733 3.960 0.001 0.000 0.257 235 G C 0.152 175.177 174.900 0.209 0.000 0.983 235 G CA 0.345 45.553 45.100 0.181 0.000 0.676 235 G HN 1.236 nan 8.290 nan 0.000 0.528 236 C N -0.005 119.478 119.300 0.304 0.000 2.408 236 C HA 0.945 5.406 4.460 0.001 0.000 0.321 236 C C 1.077 176.225 174.990 0.264 0.000 1.245 236 C CA 0.442 59.608 59.018 0.246 0.000 1.523 236 C CB 0.740 28.592 27.740 0.186 0.000 2.178 236 C HN 2.090 nan 8.230 nan 0.000 0.488 237 G N 2.118 111.064 108.800 0.243 0.000 2.384 237 G HA2 0.098 4.058 3.960 0.001 0.000 0.200 237 G HA3 0.098 4.058 3.960 0.001 0.000 0.200 237 G C -1.308 173.719 174.900 0.211 0.000 1.205 237 G CA -0.434 44.760 45.100 0.156 0.000 1.116 237 G HN 0.892 nan 8.290 nan 0.000 0.547 238 L N 0.634 121.881 121.223 0.040 0.000 2.305 238 L HA 0.828 5.168 4.340 0.001 0.000 0.281 238 L C -0.772 176.049 176.870 -0.082 0.000 1.085 238 L CA -0.562 54.315 54.840 0.062 0.000 0.813 238 L CB 0.618 42.671 42.059 -0.009 0.000 1.157 238 L HN 0.598 nan 8.230 nan 0.000 0.436 239 Y N 3.078 123.481 120.300 0.171 0.000 2.581 239 Y HA 0.472 5.022 4.550 0.000 0.000 0.345 239 Y C -0.505 175.504 175.900 0.180 0.000 1.036 239 Y CA -0.901 57.300 58.100 0.168 0.000 1.042 239 Y CB 1.718 40.276 38.460 0.164 0.000 1.289 239 Y HN 0.437 nan 8.280 nan 0.000 0.471 240 K N 1.719 122.271 120.400 0.253 0.000 2.240 240 K HA 0.644 4.964 4.320 0.001 0.000 0.271 240 K C -1.127 175.470 176.600 -0.005 0.000 1.018 240 K CA -0.253 56.044 56.287 0.016 0.000 0.874 240 K CB 0.553 33.014 32.500 -0.064 0.000 1.098 240 K HN 0.765 nan 8.250 nan 0.000 0.458 241 C N 1.797 121.043 119.300 -0.089 0.000 2.548 241 C HA 0.449 4.909 4.460 0.001 0.000 0.412 241 C C 1.994 176.901 174.990 -0.138 0.000 1.588 241 C CA -0.382 58.582 59.018 -0.090 0.000 1.861 241 C CB 0.957 28.647 27.740 -0.084 0.000 1.983 241 C HN 1.009 nan 8.230 nan 0.000 0.497 242 A N 0.751 123.492 122.820 -0.131 0.000 1.930 242 A HA -0.088 4.232 4.320 0.001 0.000 0.217 242 A C 1.107 178.613 177.584 -0.131 0.000 1.175 242 A CA 2.287 54.245 52.037 -0.132 0.000 0.627 242 A CB -0.393 18.523 19.000 -0.140 0.000 0.815 242 A HN 0.947 nan 8.150 nan 0.000 0.443 243 D N -2.715 117.609 120.400 -0.126 0.000 2.650 243 D HA 0.446 5.086 4.640 0.001 0.000 0.265 243 D C 0.445 176.677 176.300 -0.112 0.000 1.339 243 D CA 0.552 54.487 54.000 -0.108 0.000 0.816 243 D CB -0.208 40.544 40.800 -0.080 0.000 1.091 243 D HN 0.680 nan 8.370 nan 0.000 0.483 244 G N -0.660 108.029 108.800 -0.186 0.000 2.362 244 G HA2 0.195 4.155 3.960 0.001 0.000 0.288 244 G HA3 0.195 4.155 3.960 0.001 0.000 0.288 244 G C -1.918 172.818 174.900 -0.272 0.000 1.305 244 G CA -1.174 43.803 45.100 -0.205 0.000 0.910 244 G HN 0.016 nan 8.290 nan 0.000 0.518 245 Y N -0.266 120.047 120.300 0.023 0.000 2.387 245 Y HA 0.725 5.275 4.550 0.001 0.000 0.330 245 Y C 0.992 176.932 175.900 0.066 0.000 1.133 245 Y CA -0.391 57.737 58.100 0.047 0.000 1.152 245 Y CB 1.705 40.187 38.460 0.037 0.000 1.215 245 Y HN 0.725 nan 8.280 nan 0.000 0.466 246 I N 0.194 120.923 120.570 0.266 0.000 2.828 246 I HA 0.878 5.049 4.170 0.001 0.000 0.302 246 I C -0.710 175.568 176.117 0.268 0.000 1.101 246 I CA -1.257 60.178 61.300 0.224 0.000 1.031 246 I CB 1.786 39.895 38.000 0.182 0.000 1.231 246 I HN 0.391 nan 8.210 nan 0.000 0.427 250 L N 3.461 124.626 121.223 -0.096 0.000 2.415 250 L HA 0.218 4.558 4.340 0.001 0.000 0.269 250 L C -1.078 175.743 176.870 -0.082 0.000 1.244 250 L CA -0.066 54.698 54.840 -0.126 0.000 1.113 250 L CB 0.160 42.172 42.059 -0.079 0.000 1.352 250 L HN 0.201 nan 8.230 nan 0.000 0.433 251 V N 3.288 123.138 119.914 -0.107 0.000 2.638 251 V HA 0.968 5.088 4.120 0.001 0.000 0.306 251 V C 0.282 176.316 176.094 -0.101 0.000 1.052 251 V CA -0.194 62.049 62.300 -0.096 0.000 0.885 251 V CB 1.274 33.041 31.823 -0.093 0.000 0.999 251 V HN 0.837 nan 8.190 nan 0.000 0.424 252 G N 3.185 111.927 108.800 -0.096 0.000 2.465 252 G HA2 0.023 3.983 3.960 0.001 0.000 0.681 252 G HA3 0.023 3.983 3.960 0.001 0.000 0.681 252 G C -0.141 174.696 174.900 -0.105 0.000 1.340 252 G CA -0.325 44.720 45.100 -0.092 0.000 0.884 252 G HN 0.590 nan 8.290 nan 0.000 0.650 253 I N 0.398 120.912 120.570 -0.094 0.000 2.113 253 I HA -0.117 4.053 4.170 0.001 0.000 0.238 253 I C 2.986 179.032 176.117 -0.118 0.000 1.070 253 I CA 2.252 63.489 61.300 -0.105 0.000 1.332 253 I CB -0.448 37.504 38.000 -0.081 0.000 1.044 253 I HN 0.643 nan 8.210 nan 0.000 0.402 254 T N -0.409 114.089 114.554 -0.094 0.000 2.867 254 T HA -0.168 4.182 4.350 0.001 0.000 0.268 254 T C 1.859 176.497 174.700 -0.103 0.000 1.057 254 T CA 1.043 63.090 62.100 -0.088 0.000 1.136 254 T CB -0.177 68.653 68.868 -0.063 0.000 0.874 254 T HN 0.251 nan 8.240 nan 0.000 0.466 255 Q N 0.687 120.420 119.800 -0.113 0.000 2.061 255 Q HA 0.030 4.371 4.340 0.001 0.000 0.204 255 Q C 2.174 178.084 176.000 -0.149 0.000 0.984 255 Q CA 1.392 57.112 55.803 -0.137 0.000 0.846 255 Q CB -0.424 28.225 28.738 -0.148 0.000 0.902 255 Q HN 0.509 nan 8.270 nan 0.000 0.421 256 I N 0.013 120.479 120.570 -0.173 0.000 2.286 256 I HA -0.229 3.942 4.170 0.001 0.000 0.245 256 I C 2.045 177.978 176.117 -0.307 0.000 1.104 256 I CA 0.989 62.137 61.300 -0.252 0.000 1.397 256 I CB -0.127 37.657 38.000 -0.360 0.000 1.072 256 I HN 0.245 nan 8.210 nan 0.000 0.417 257 E N 0.496 120.548 120.200 -0.246 0.000 2.038 257 E HA -0.233 4.117 4.350 0.001 0.000 0.195 257 E C 2.083 178.634 176.600 -0.081 0.000 1.000 257 E CA 1.250 57.540 56.400 -0.183 0.000 0.803 257 E CB 0.047 29.667 29.700 -0.132 0.000 0.750 257 E HN 0.365 nan 8.360 nan 0.000 0.448 258 E N 0.043 120.198 120.200 -0.074 0.000 2.158 258 E HA -0.115 4.235 4.350 0.001 0.000 0.191 258 E C 2.137 178.693 176.600 -0.073 0.000 0.982 258 E CA 0.355 56.721 56.400 -0.055 0.000 0.823 258 E CB -0.560 29.109 29.700 -0.051 0.000 0.766 258 E HN 0.280 nan 8.360 nan 0.000 0.468 259 C N 0.359 119.613 119.300 -0.077 0.000 2.446 259 C HA -0.110 4.350 4.460 0.001 0.000 0.277 259 C C 2.489 177.432 174.990 -0.078 0.000 1.275 259 C CA 0.271 59.207 59.018 -0.136 0.000 1.727 259 C CB -1.308 26.365 27.740 -0.111 0.000 2.010 259 C HN 0.230 nan 8.230 nan 0.000 0.486 260 F N 1.555 121.379 119.950 -0.211 0.000 2.095 260 F HA -0.090 4.438 4.527 0.000 0.000 0.298 260 F C 2.438 178.134 175.800 -0.172 0.000 1.104 260 F CA 2.014 59.903 58.000 -0.185 0.000 1.232 260 F CB -0.765 38.142 39.000 -0.156 0.000 0.987 260 F HN 0.260 nan 8.300 nan 0.000 0.475 261 K N -0.051 120.376 120.400 0.045 0.000 2.032 261 K HA -0.193 4.128 4.320 0.001 0.000 0.209 261 K C 1.787 178.344 176.600 -0.071 0.000 1.048 261 K CA 1.731 58.013 56.287 -0.008 0.000 0.927 261 K CB -0.290 32.207 32.500 -0.005 0.000 0.712 261 K HN 0.151 nan 8.250 nan 0.000 0.441 262 D N 0.705 121.000 120.400 -0.176 0.000 2.117 262 D HA -0.153 4.488 4.640 0.001 0.000 0.197 262 D C 1.748 177.825 176.300 -0.372 0.000 0.987 262 D CA 1.276 55.096 54.000 -0.301 0.000 0.829 262 D CB -0.108 40.314 40.800 -0.629 0.000 0.961 262 D HN 0.430 nan 8.370 nan 0.000 0.460 263 I N -3.635 116.683 120.570 -0.419 0.000 3.793 263 I HA 0.333 4.504 4.170 0.001 0.000 0.315 263 I C 1.045 177.103 176.117 -0.098 0.000 1.275 263 I CA 0.466 61.604 61.300 -0.271 0.000 1.214 263 I CB 0.191 38.000 38.000 -0.317 0.000 1.018 263 I HN -0.001 nan 8.210 nan 0.000 0.439 264 G N 2.046 110.802 108.800 -0.074 0.000 2.140 264 G HA2 -0.199 3.761 3.960 0.001 0.000 0.211 264 G HA3 -0.199 3.761 3.960 0.001 0.000 0.211 264 G C -0.046 174.852 174.900 -0.003 0.000 1.013 264 G CA 0.075 45.175 45.100 0.000 0.000 0.705 264 G HN 0.288 nan 8.290 nan 0.000 0.508 265 L N 0.343 121.487 121.223 -0.131 0.000 3.168 265 L HA 0.661 5.001 4.340 0.001 0.000 0.277 265 L C 2.269 179.032 176.870 -0.179 0.000 1.245 265 L CA 0.755 55.403 54.840 -0.320 0.000 1.035 265 L CB 0.069 41.728 42.059 -0.666 0.000 1.399 265 L HN 0.418 nan 8.230 nan 0.000 0.580 266 A N -0.400 122.424 122.820 0.007 0.000 1.986 266 A HA -0.265 4.055 4.320 0.001 0.000 0.220 266 A C 2.000 179.606 177.584 0.037 0.000 1.171 266 A CA 2.136 54.210 52.037 0.061 0.000 0.640 266 A CB -0.843 18.201 19.000 0.073 0.000 0.811 266 A HN 0.771 nan 8.150 nan 0.000 0.451 267 H N -1.651 117.423 119.070 0.006 0.000 2.546 267 H HA 0.211 4.767 4.556 0.001 0.000 0.277 267 H C 1.419 176.734 175.328 -0.023 0.000 1.004 267 H CA 0.974 57.015 56.048 -0.011 0.000 1.231 267 H CB -0.349 29.395 29.762 -0.030 0.000 1.382 267 H HN 0.385 nan 8.280 nan 0.000 0.580 268 L N 0.516 121.496 121.223 -0.406 0.000 2.418 268 L HA 0.123 4.464 4.340 0.001 0.000 0.218 268 L C 0.446 177.298 176.870 -0.030 0.000 1.125 268 L CA -0.002 54.675 54.840 -0.271 0.000 0.835 268 L CB -0.049 41.807 42.059 -0.338 0.000 0.953 268 L HN 0.254 nan 8.230 nan 0.000 0.454 269 L N -0.039 121.177 121.223 -0.012 0.000 2.426 269 L HA 0.220 4.560 4.340 0.001 0.000 0.271 269 L C 1.354 178.212 176.870 -0.019 0.000 1.169 269 L CA 0.458 55.267 54.840 -0.052 0.000 0.836 269 L CB 0.441 42.456 42.059 -0.073 0.000 1.112 269 L HN 0.285 nan 8.230 nan 0.000 0.465 270 G N 0.963 109.747 108.800 -0.027 0.000 2.153 270 G HA2 -0.274 3.686 3.960 0.001 0.000 0.252 270 G HA3 -0.274 3.686 3.960 0.001 0.000 0.252 270 G C 0.271 175.186 174.900 0.025 0.000 0.994 270 G CA 0.381 45.479 45.100 -0.004 0.000 0.698 270 G HN 0.782 nan 8.290 nan 0.000 0.521 271 T N -2.770 111.814 114.554 0.050 0.000 2.902 271 T HA 0.651 5.002 4.350 0.001 0.000 0.280 271 T C -0.872 173.876 174.700 0.079 0.000 0.992 271 T CA -1.130 61.024 62.100 0.090 0.000 1.015 271 T CB 2.260 71.230 68.868 0.170 0.000 1.044 271 T HN -0.105 nan 8.240 nan 0.000 0.520 272 P HA -0.072 nan 4.420 nan 0.000 0.217 272 P C 1.087 178.418 177.300 0.051 0.000 1.148 272 P CA 1.044 64.172 63.100 0.048 0.000 0.828 272 P CB 0.077 31.798 31.700 0.035 0.000 0.783 273 E N -0.944 119.310 120.200 0.089 0.000 2.072 273 E HA 0.017 4.367 4.350 0.001 0.000 0.190 273 E C 0.619 177.295 176.600 0.126 0.000 0.982 273 E CA 0.811 57.261 56.400 0.084 0.000 0.803 273 E CB -0.180 29.555 29.700 0.058 0.000 0.755 273 E HN 0.259 nan 8.360 nan 0.000 0.453 274 I N 1.448 122.106 120.570 0.146 0.000 2.668 274 I HA 0.253 4.423 4.170 0.001 0.000 0.276 274 I C -2.515 173.609 176.117 0.011 0.000 1.139 274 I CA -2.324 59.018 61.300 0.070 0.000 1.133 274 I CB 1.474 39.514 38.000 0.066 0.000 1.327 274 I HN -0.166 nan 8.210 nan 0.000 0.520 275 P HA 0.007 nan 4.420 nan 0.000 0.272 275 P C -0.100 177.177 177.300 -0.037 0.000 1.240 275 P CA -0.385 62.710 63.100 -0.008 0.000 0.791 275 P CB 0.573 32.271 31.700 -0.003 0.000 0.978 276 E N 0.942 121.122 120.200 -0.034 0.000 2.493 276 E HA 0.130 4.480 4.350 0.001 0.000 0.255 276 E C 0.795 177.367 176.600 -0.046 0.000 0.999 276 E CA 0.933 57.305 56.400 -0.045 0.000 0.934 276 E CB -0.729 28.952 29.700 -0.031 0.000 0.940 276 E HN 0.774 nan 8.360 nan 0.000 0.473 277 G N 3.433 112.196 108.800 -0.062 0.000 2.159 277 G HA2 -0.227 3.733 3.960 0.001 0.000 0.227 277 G HA3 -0.227 3.733 3.960 0.001 0.000 0.227 277 G C 0.295 175.159 174.900 -0.059 0.000 0.986 277 G CA 0.130 45.197 45.100 -0.056 0.000 0.651 277 G HN 0.599 nan 8.290 nan 0.000 0.523 278 T N 0.719 115.229 114.554 -0.074 0.000 2.867 278 T HA 0.335 4.686 4.350 0.001 0.000 0.297 278 T C 1.336 175.985 174.700 -0.085 0.000 0.989 278 T CA 0.865 62.923 62.100 -0.070 0.000 1.159 278 T CB 1.289 70.106 68.868 -0.084 0.000 0.928 278 T HN 0.434 nan 8.240 nan 0.000 0.538 279 Q N 1.194 120.959 119.800 -0.059 0.000 2.350 279 Q HA 0.354 4.694 4.340 0.001 0.000 0.225 279 Q C -0.457 175.505 176.000 -0.064 0.000 0.878 279 Q CA -0.003 55.759 55.803 -0.067 0.000 0.935 279 Q CB 0.519 29.222 28.738 -0.058 0.000 1.099 279 Q HN 0.338 nan 8.270 nan 0.000 0.527 280 L N 0.544 121.750 121.223 -0.028 0.000 2.513 280 L HA 0.398 4.738 4.340 0.001 0.000 0.261 280 L C -1.803 175.142 176.870 0.124 0.000 0.945 280 L CA -0.551 54.293 54.840 0.005 0.000 0.848 280 L CB 2.037 44.047 42.059 -0.083 0.000 1.334 280 L HN -0.078 nan 8.230 nan 0.000 0.407 281 I N 4.245 124.932 120.570 0.194 0.000 2.307 281 I HA 0.242 4.412 4.170 0.001 0.000 0.289 281 I C -0.032 176.303 176.117 0.364 0.000 1.021 281 I CA -0.514 60.937 61.300 0.251 0.000 1.224 281 I CB 0.915 39.053 38.000 0.230 0.000 1.376 281 I HN 0.575 nan 8.210 nan 0.000 0.470 282 H N 7.013 126.231 119.070 0.246 0.000 2.864 282 H HA 0.160 4.717 4.556 0.001 0.000 0.281 282 H C 1.084 176.451 175.328 0.065 0.000 1.093 282 H CA 0.367 56.475 56.048 0.101 0.000 1.453 282 H CB 1.017 30.799 29.762 0.032 0.000 1.462 282 H HN 0.566 nan 8.280 nan 0.000 0.480 283 R N 3.504 124.010 120.500 0.010 0.000 2.115 283 R HA -0.105 4.235 4.340 0.001 0.000 0.230 283 R C 1.225 177.605 176.300 0.135 0.000 1.111 283 R CA 1.276 57.423 56.100 0.078 0.000 0.976 283 R CB 0.307 30.612 30.300 0.008 0.000 0.870 283 R HN 0.492 nan 8.270 nan 0.000 0.445 284 I N -0.217 120.497 120.570 0.241 0.000 2.400 284 I HA -0.097 4.073 4.170 0.001 0.000 0.248 284 I C 2.252 178.467 176.117 0.163 0.000 1.109 284 I CA 1.075 62.503 61.300 0.213 0.000 1.425 284 I CB -0.403 37.754 38.000 0.263 0.000 1.094 284 I HN 0.065 nan 8.210 nan 0.000 0.425 285 E N 0.244 120.564 120.200 0.199 0.000 2.107 285 E HA -0.128 4.222 4.350 0.001 0.000 0.191 285 E C 0.824 177.435 176.600 0.018 0.000 0.982 285 E CA 0.474 56.858 56.400 -0.026 0.000 0.809 285 E CB 0.036 29.579 29.700 -0.262 0.000 0.756 285 E HN 0.446 nan 8.360 nan 0.000 0.459 286 C N 1.720 121.074 119.300 0.090 0.000 2.482 286 C HA 0.287 4.748 4.460 0.001 0.000 0.378 286 C C -1.456 173.541 174.990 0.012 0.000 1.284 286 C CA -1.885 57.170 59.018 0.062 0.000 1.826 286 C CB 0.407 28.233 27.740 0.144 0.000 2.473 286 C HN 0.332 nan 8.230 nan 0.000 0.562 287 P HA -0.092 nan 4.420 nan 0.000 0.221 287 P C 0.305 177.517 177.300 -0.147 0.000 1.145 287 P CA 1.504 64.490 63.100 -0.191 0.000 0.795 287 P CB -0.063 31.412 31.700 -0.374 0.000 0.775 288 Y N -1.188 119.149 120.300 0.063 0.000 2.466 288 Y HA 0.242 4.793 4.550 0.001 0.000 0.272 288 Y C 2.448 178.382 175.900 0.057 0.000 1.169 288 Y CA -0.033 58.100 58.100 0.056 0.000 1.285 288 Y CB -1.375 37.126 38.460 0.068 0.000 1.078 288 Y HN -0.081 nan 8.280 nan 0.000 0.523 289 G N 1.936 110.851 108.800 0.191 0.000 2.631 289 G HA2 -0.295 3.666 3.960 0.001 0.000 0.219 289 G HA3 -0.295 3.666 3.960 0.001 0.000 0.219 289 G C -0.427 174.541 174.900 0.114 0.000 1.214 289 G CA 1.167 46.355 45.100 0.148 0.000 0.785 289 G HN 0.275 nan 8.290 nan 0.000 0.596 290 P HA -0.068 nan 4.420 nan 0.000 0.215 290 P C 2.035 179.378 177.300 0.070 0.000 1.153 290 P CA 0.692 63.834 63.100 0.071 0.000 0.853 290 P CB -0.146 31.589 31.700 0.058 0.000 0.788 291 L N -0.653 120.623 121.223 0.087 0.000 2.083 291 L HA -0.115 4.225 4.340 0.001 0.000 0.209 291 L C 2.112 178.972 176.870 -0.016 0.000 1.083 291 L CA 1.733 56.604 54.840 0.051 0.000 0.752 291 L CB -1.116 40.991 42.059 0.080 0.000 0.899 291 L HN -0.202 nan 8.230 nan 0.000 0.433 292 V N -0.114 119.788 119.914 -0.021 0.000 2.295 292 V HA -0.245 3.875 4.120 0.001 0.000 0.246 292 V C 2.669 178.750 176.094 -0.021 0.000 1.049 292 V CA 1.876 64.109 62.300 -0.112 0.000 1.024 292 V CB -0.711 31.094 31.823 -0.030 0.000 0.648 292 V HN 0.464 nan 8.190 nan 0.000 0.447 293 E N 0.027 120.266 120.200 0.065 0.000 2.077 293 E HA -0.222 4.128 4.350 0.001 0.000 0.193 293 E C 2.213 178.882 176.600 0.116 0.000 0.989 293 E CA 1.248 57.727 56.400 0.133 0.000 0.800 293 E CB -0.250 29.522 29.700 0.121 0.000 0.746 293 E HN 0.695 nan 8.360 nan 0.000 0.452 294 E N 0.594 120.835 120.200 0.068 0.000 2.058 294 E HA -0.166 4.184 4.350 0.001 0.000 0.194 294 E C 2.059 178.697 176.600 0.062 0.000 0.997 294 E CA 0.968 57.405 56.400 0.061 0.000 0.801 294 E CB 0.072 29.797 29.700 0.042 0.000 0.746 294 E HN 0.064 nan 8.360 nan 0.000 0.450 295 K N 0.470 120.884 120.400 0.023 0.000 2.155 295 K HA -0.044 4.277 4.320 0.001 0.000 0.203 295 K C 2.263 178.901 176.600 0.064 0.000 1.052 295 K CA 0.389 56.685 56.287 0.015 0.000 0.948 295 K CB -0.187 32.264 32.500 -0.083 0.000 0.728 295 K HN 0.202 nan 8.250 nan 0.000 0.448 296 L N 1.384 122.637 121.223 0.051 0.000 2.027 296 L HA -0.219 4.122 4.340 0.001 0.000 0.206 296 L C 1.794 178.792 176.870 0.213 0.000 1.074 296 L CA 1.434 56.333 54.840 0.098 0.000 0.745 296 L CB -0.306 41.775 42.059 0.036 0.000 0.898 296 L HN 0.144 nan 8.230 nan 0.000 0.433 297 D N 0.006 120.548 120.400 0.236 0.000 2.104 297 D HA -0.203 4.437 4.640 0.001 0.000 0.194 297 D C 2.128 178.536 176.300 0.179 0.000 0.994 297 D CA 1.581 55.726 54.000 0.243 0.000 0.830 297 D CB -0.067 40.843 40.800 0.185 0.000 0.959 297 D HN 0.395 nan 8.370 nan 0.000 0.452 298 A N -0.068 122.846 122.820 0.156 0.000 1.902 298 A HA -0.163 4.157 4.320 0.001 0.000 0.217 298 A C 2.175 179.862 177.584 0.171 0.000 1.181 298 A CA 1.425 53.539 52.037 0.129 0.000 0.623 298 A CB -1.191 17.874 19.000 0.109 0.000 0.818 298 A HN 0.409 nan 8.150 nan 0.000 0.443 299 W N 0.471 121.802 121.300 0.051 0.000 2.381 299 W HA -0.083 4.577 4.660 0.001 0.000 0.301 299 W C 1.719 178.318 176.519 0.134 0.000 1.205 299 W CA 1.766 59.164 57.345 0.089 0.000 1.285 299 W CB -0.197 29.282 29.460 0.032 0.000 1.133 299 W HN 0.245 nan 8.180 nan 0.000 0.521 300 L N 0.306 121.657 121.223 0.214 0.000 2.109 300 L HA -0.090 4.251 4.340 0.001 0.000 0.207 300 L C 2.692 179.534 176.870 -0.048 0.000 1.086 300 L CA 1.141 55.996 54.840 0.026 0.000 0.760 300 L CB -1.286 40.864 42.059 0.152 0.000 0.910 300 L HN 0.038 nan 8.230 nan 0.000 0.437 301 A N -0.026 122.795 122.820 0.000 0.000 1.978 301 A HA -0.202 4.118 4.320 0.001 0.000 0.220 301 A C 2.253 179.773 177.584 -0.106 0.000 1.170 301 A CA 2.165 54.178 52.037 -0.041 0.000 0.636 301 A CB -0.809 18.186 19.000 -0.008 0.000 0.810 301 A HN 0.505 nan 8.150 nan 0.000 0.448 302 T N -4.010 110.451 114.554 -0.155 0.000 3.122 302 T HA 0.288 4.639 4.350 0.001 0.000 0.250 302 T C 0.170 174.598 174.700 -0.454 0.000 1.067 302 T CA -0.113 61.830 62.100 -0.261 0.000 0.966 302 T CB -0.362 68.350 68.868 -0.259 0.000 1.002 302 T HN 0.471 nan 8.240 nan 0.000 0.542 303 H N 1.707 120.550 119.070 -0.378 0.000 2.524 303 H HA 0.539 5.095 4.556 0.001 0.000 0.353 303 H C 0.371 175.518 175.328 -0.301 0.000 1.136 303 H CA -0.372 55.418 56.048 -0.429 0.000 1.193 303 H CB 1.746 31.058 29.762 -0.750 0.000 1.558 303 H HN 0.266 nan 8.280 nan 0.000 0.515 304 T N -0.208 114.270 114.554 -0.125 0.000 2.828 304 T HA 0.144 4.494 4.350 0.001 0.000 0.290 304 T C 1.602 176.237 174.700 -0.107 0.000 1.019 304 T CA -0.543 61.491 62.100 -0.109 0.000 1.031 304 T CB 0.677 69.491 68.868 -0.091 0.000 1.001 304 T HN 0.505 nan 8.240 nan 0.000 0.531 305 I N 1.389 121.908 120.570 -0.086 0.000 2.208 305 I HA -0.142 4.028 4.170 0.001 0.000 0.245 305 I C 2.963 179.038 176.117 -0.070 0.000 1.097 305 I CA 1.842 63.098 61.300 -0.072 0.000 1.363 305 I CB -0.817 37.163 38.000 -0.033 0.000 1.051 305 I HN 0.897 nan 8.210 nan 0.000 0.413 306 A N 0.044 122.833 122.820 -0.052 0.000 1.908 306 A HA -0.262 4.058 4.320 0.001 0.000 0.218 306 A C 2.256 179.812 177.584 -0.048 0.000 1.181 306 A CA 1.961 53.976 52.037 -0.037 0.000 0.627 306 A CB -0.627 18.357 19.000 -0.027 0.000 0.818 306 A HN 0.451 nan 8.150 nan 0.000 0.445 307 E N -0.632 119.530 120.200 -0.064 0.000 2.047 307 E HA -0.110 4.240 4.350 0.001 0.000 0.191 307 E C 2.026 178.537 176.600 -0.147 0.000 0.987 307 E CA 1.277 57.641 56.400 -0.061 0.000 0.799 307 E CB -0.176 29.523 29.700 -0.002 0.000 0.752 307 E HN 0.377 nan 8.360 nan 0.000 0.449 308 V N 1.246 121.010 119.914 -0.250 0.000 2.295 308 V HA -0.282 3.838 4.120 0.001 0.000 0.246 308 V C 2.114 177.982 176.094 -0.378 0.000 1.049 308 V CA 1.803 63.832 62.300 -0.452 0.000 1.024 308 V CB -0.373 31.158 31.823 -0.486 0.000 0.648 308 V HN 0.191 nan 8.190 nan 0.000 0.447 309 K N -0.231 120.071 120.400 -0.163 0.000 2.032 309 K HA -0.266 4.054 4.320 0.001 0.000 0.209 309 K C 2.265 178.885 176.600 0.033 0.000 1.048 309 K CA 1.983 58.261 56.287 -0.015 0.000 0.927 309 K CB -0.227 32.280 32.500 0.013 0.000 0.712 309 K HN 0.570 nan 8.250 nan 0.000 0.441 310 E N 0.672 120.875 120.200 0.004 0.000 2.058 310 E HA -0.268 4.082 4.350 0.001 0.000 0.194 310 E C 2.153 178.793 176.600 0.067 0.000 0.997 310 E CA 1.278 57.698 56.400 0.033 0.000 0.801 310 E CB 0.068 29.779 29.700 0.018 0.000 0.746 310 E HN 0.010 nan 8.360 nan 0.000 0.450 311 R N -0.208 120.329 120.500 0.060 0.000 2.075 311 R HA -0.093 4.247 4.340 0.001 0.000 0.232 311 R C 2.050 178.519 176.300 0.281 0.000 1.126 311 R CA 1.393 57.579 56.100 0.143 0.000 0.963 311 R CB -0.668 29.741 30.300 0.182 0.000 0.858 311 R HN 0.224 nan 8.270 nan 0.000 0.435 312 F N 0.260 120.248 119.950 0.063 0.000 2.325 312 F HA 0.162 4.689 4.527 0.001 0.000 0.299 312 F C 2.214 178.026 175.800 0.020 0.000 1.090 312 F CA 0.558 58.578 58.000 0.032 0.000 1.392 312 F CB -1.171 37.853 39.000 0.040 0.000 1.053 312 F HN 0.177 nan 8.300 nan 0.000 0.521 313 A N -0.256 122.693 122.820 0.215 0.000 1.930 313 A HA -0.174 4.146 4.320 0.001 0.000 0.217 313 A C 2.209 179.845 177.584 0.087 0.000 1.175 313 A CA 1.444 53.552 52.037 0.119 0.000 0.627 313 A CB -0.694 18.360 19.000 0.090 0.000 0.815 313 A HN 0.351 nan 8.150 nan 0.000 0.443 314 E N -0.496 119.761 120.200 0.095 0.000 2.153 314 E HA -0.093 4.257 4.350 0.001 0.000 0.194 314 E C 1.339 177.969 176.600 0.050 0.000 0.988 314 E CA 0.966 57.406 56.400 0.067 0.000 0.811 314 E CB -0.129 29.614 29.700 0.072 0.000 0.746 314 E HN 0.643 nan 8.360 nan 0.000 0.466 315 L N 0.143 121.402 121.223 0.060 0.000 2.607 315 L HA 0.131 4.471 4.340 0.001 0.000 0.228 315 L C 0.430 177.286 176.870 -0.023 0.000 1.123 315 L CA -0.290 54.556 54.840 0.011 0.000 0.890 315 L CB -0.005 42.053 42.059 -0.001 0.000 1.103 315 L HN 0.078 nan 8.230 nan 0.000 0.468 316 N N 1.342 120.041 118.700 -0.001 0.000 2.758 316 N HA -0.212 4.529 4.740 0.001 0.000 0.248 316 N C -0.499 174.972 175.510 -0.066 0.000 1.076 316 N CA 0.489 53.528 53.050 -0.019 0.000 0.696 316 N CB -1.279 37.194 38.487 -0.024 0.000 0.979 316 N HN 0.328 nan 8.380 nan 0.000 0.550 317 I N 0.679 121.186 120.570 -0.104 0.000 2.304 317 I HA 0.377 4.548 4.170 0.001 0.000 0.291 317 I C 1.039 177.085 176.117 -0.119 0.000 1.018 317 I CA -0.587 60.569 61.300 -0.239 0.000 1.260 317 I CB 1.247 38.848 38.000 -0.666 0.000 1.390 317 I HN 0.304 nan 8.210 nan 0.000 0.475 318 A N 6.699 129.470 122.820 -0.081 0.000 2.524 318 A HA 0.419 4.740 4.320 0.001 0.000 0.250 318 A C 0.036 177.646 177.584 0.043 0.000 1.078 318 A CA -0.167 51.868 52.037 -0.003 0.000 0.761 318 A CB -0.234 18.762 19.000 -0.006 0.000 1.012 318 A HN 0.981 nan 8.150 nan 0.000 0.500 319 C N 0.008 119.378 119.300 0.118 0.000 3.321 319 C HA 0.980 5.440 4.460 0.001 0.000 0.329 319 C C -0.360 174.719 174.990 0.149 0.000 1.394 319 C CA -0.113 59.016 59.018 0.184 0.000 1.291 319 C CB 0.993 28.958 27.740 0.375 0.000 1.606 319 C HN 2.220 nan 8.230 nan 0.000 0.463 320 A N 1.330 124.239 122.820 0.148 0.000 2.566 320 A HA 0.713 5.033 4.320 0.001 0.000 0.297 320 A C -1.001 176.655 177.584 0.121 0.000 1.059 320 A CA -0.414 51.694 52.037 0.118 0.000 0.691 320 A CB 1.119 20.179 19.000 0.100 0.000 1.282 320 A HN 1.151 nan 8.150 nan 0.000 0.401 321 K N 1.562 122.021 120.400 0.099 0.000 2.401 321 K HA 0.333 4.654 4.320 0.001 0.000 0.278 321 K C -0.395 176.266 176.600 0.102 0.000 1.018 321 K CA -0.151 56.194 56.287 0.097 0.000 0.981 321 K CB 0.449 32.990 32.500 0.068 0.000 0.933 321 K HN 0.471 nan 8.250 nan 0.000 0.477 322 V N 6.989 126.977 119.914 0.124 0.000 2.390 322 V HA 0.023 4.144 4.120 0.001 0.000 0.260 322 V C 0.498 176.643 176.094 0.085 0.000 1.043 322 V CA -0.057 62.305 62.300 0.103 0.000 1.047 322 V CB -0.273 31.616 31.823 0.109 0.000 1.066 322 V HN 0.623 nan 8.190 nan 0.000 0.481 323 L N 5.515 126.774 121.223 0.061 0.000 2.410 323 L HA 0.277 4.618 4.340 0.001 0.000 0.273 323 L C 1.112 177.995 176.870 0.022 0.000 1.152 323 L CA -0.082 54.779 54.840 0.035 0.000 0.855 323 L CB 0.944 43.013 42.059 0.017 0.000 1.129 323 L HN 0.733 nan 8.230 nan 0.000 0.463 324 T N -0.720 113.843 114.554 0.015 0.000 2.882 324 T HA 0.201 4.551 4.350 0.001 0.000 0.287 324 T C 1.341 176.031 174.700 -0.018 0.000 1.014 324 T CA -0.951 61.152 62.100 0.006 0.000 1.049 324 T CB 1.669 70.545 68.868 0.014 0.000 1.001 324 T HN 0.258 nan 8.240 nan 0.000 0.525 325 V N 2.363 122.269 119.914 -0.013 0.000 2.324 325 V HA -0.088 4.033 4.120 0.001 0.000 0.250 325 V C -0.399 175.669 176.094 -0.044 0.000 1.060 325 V CA 1.729 64.015 62.300 -0.022 0.000 1.042 325 V CB -1.738 30.085 31.823 0.000 0.000 0.650 325 V HN 0.812 nan 8.190 nan 0.000 0.450 326 P HA -0.117 nan 4.420 nan 0.000 0.228 326 P C 1.230 178.493 177.300 -0.061 0.000 1.151 326 P CA 1.101 64.178 63.100 -0.039 0.000 0.770 326 P CB -0.044 31.642 31.700 -0.023 0.000 0.786 327 E N -1.285 118.870 120.200 -0.076 0.000 2.474 327 E HA 0.083 4.434 4.350 0.001 0.000 0.194 327 E C 1.634 178.123 176.600 -0.185 0.000 1.041 327 E CA 0.000 56.345 56.400 -0.093 0.000 0.874 327 E CB -0.182 29.483 29.700 -0.058 0.000 0.914 327 E HN 0.286 nan 8.360 nan 0.000 0.498 328 L N 0.709 121.766 121.223 -0.277 0.000 2.044 328 L HA -0.108 4.233 4.340 0.001 0.000 0.205 328 L C 2.269 178.764 176.870 -0.626 0.000 1.075 328 L CA 1.153 55.610 54.840 -0.639 0.000 0.747 328 L CB -0.351 41.327 42.059 -0.636 0.000 0.903 328 L HN 0.105 nan 8.230 nan 0.000 0.435 329 E N 0.333 120.361 120.200 -0.287 0.000 2.118 329 E HA -0.196 4.154 4.350 0.001 0.000 0.195 329 E C 2.155 178.716 176.600 -0.064 0.000 0.992 329 E CA 1.708 58.033 56.400 -0.126 0.000 0.804 329 E CB -0.011 29.657 29.700 -0.054 0.000 0.741 329 E HN 0.501 nan 8.360 nan 0.000 0.458 330 S N 0.565 116.220 115.700 -0.076 0.000 2.593 330 S HA -0.022 4.448 4.470 0.001 0.000 0.217 330 S C 0.731 175.325 174.600 -0.009 0.000 0.966 330 S CA -0.387 57.797 58.200 -0.026 0.000 0.914 330 S CB -0.136 63.050 63.200 -0.025 0.000 0.776 330 S HN 0.098 nan 8.310 nan 0.000 0.523 331 N N 3.002 121.680 118.700 -0.037 0.000 2.447 331 N HA 0.082 4.822 4.740 0.001 0.000 0.263 331 N C -1.949 173.633 175.510 0.120 0.000 1.226 331 N CA -1.064 52.010 53.050 0.041 0.000 0.906 331 N CB 1.184 39.703 38.487 0.053 0.000 1.060 331 N HN 0.007 nan 8.380 nan 0.000 0.468 332 P HA -0.150 nan 4.420 nan 0.000 0.217 332 P C 1.073 178.433 177.300 0.101 0.000 1.148 332 P CA 1.243 64.392 63.100 0.083 0.000 0.828 332 P CB 0.313 32.048 31.700 0.059 0.000 0.783 333 Q N -1.514 118.362 119.800 0.127 0.000 2.083 333 Q HA -0.167 4.174 4.340 0.001 0.000 0.198 333 Q C 1.907 177.959 176.000 0.088 0.000 0.969 333 Q CA 1.634 57.489 55.803 0.087 0.000 0.838 333 Q CB -1.076 27.698 28.738 0.060 0.000 0.900 333 Q HN 0.202 nan 8.270 nan 0.000 0.436 334 Y N -0.841 119.471 120.300 0.021 0.000 2.128 334 Y HA -0.240 4.311 4.550 0.001 0.000 0.284 334 Y C 2.241 178.157 175.900 0.026 0.000 1.154 334 Y CA 1.447 59.562 58.100 0.024 0.000 1.149 334 Y CB -0.504 37.972 38.460 0.027 0.000 0.976 334 Y HN -0.024 nan 8.280 nan 0.000 0.505 335 V N -0.407 119.621 119.914 0.191 0.000 2.295 335 V HA -0.353 3.768 4.120 0.001 0.000 0.246 335 V C 2.486 178.625 176.094 0.075 0.000 1.049 335 V CA 1.832 64.199 62.300 0.112 0.000 1.024 335 V CB -1.386 30.487 31.823 0.083 0.000 0.648 335 V HN 0.473 nan 8.190 nan 0.000 0.447 336 A N -0.222 122.635 122.820 0.061 0.000 1.933 336 A HA -0.187 4.133 4.320 0.001 0.000 0.218 336 A C 2.280 179.878 177.584 0.024 0.000 1.175 336 A CA 1.625 53.684 52.037 0.037 0.000 0.628 336 A CB -0.401 18.616 19.000 0.029 0.000 0.814 336 A HN 0.543 nan 8.150 nan 0.000 0.444 337 R N -0.829 119.680 120.500 0.014 0.000 2.317 337 R HA 0.152 4.492 4.340 0.001 0.000 0.208 337 R C -0.482 175.823 176.300 0.008 0.000 0.914 337 R CA 0.333 56.428 56.100 -0.009 0.000 1.060 337 R CB 0.026 30.294 30.300 -0.054 0.000 1.015 337 R HN 0.595 nan 8.270 nan 0.000 0.498 338 E N -0.074 120.149 120.200 0.039 0.000 2.269 338 E HA -0.233 4.118 4.350 0.001 0.000 0.223 338 E C 0.334 176.972 176.600 0.064 0.000 1.244 338 E CA 0.389 56.826 56.400 0.062 0.000 0.713 338 E CB -1.076 28.657 29.700 0.055 0.000 1.178 338 E HN 0.228 nan 8.360 nan 0.000 0.370 339 S N -0.569 115.163 115.700 0.054 0.000 2.402 339 S HA -0.036 4.434 4.470 0.001 0.000 0.229 339 S C 1.007 175.682 174.600 0.126 0.000 1.021 339 S CA 0.730 58.941 58.200 0.019 0.000 0.974 339 S CB 0.175 63.258 63.200 -0.195 0.000 0.800 339 S HN 0.303 nan 8.310 nan 0.000 0.484 340 I N 0.932 121.624 120.570 0.202 0.000 2.377 340 I HA 0.369 4.539 4.170 0.001 0.000 0.293 340 I C 0.212 176.430 176.117 0.168 0.000 0.987 340 I CA -0.177 61.244 61.300 0.201 0.000 1.185 340 I CB 2.021 40.146 38.000 0.208 0.000 1.341 340 I HN -0.025 nan 8.210 nan 0.000 0.455 341 T N 4.445 119.120 114.554 0.201 0.000 2.693 341 T HA 0.551 4.901 4.350 0.001 0.000 0.278 341 T C -1.191 173.649 174.700 0.233 0.000 0.994 341 T CA -0.459 61.760 62.100 0.198 0.000 1.033 341 T CB 1.635 70.619 68.868 0.194 0.000 1.342 341 T HN 0.611 nan 8.240 nan 0.000 0.538 342 Q N -0.204 119.727 119.800 0.219 0.000 2.423 342 Q HA 0.637 4.978 4.340 0.001 0.000 0.278 342 Q C -1.694 174.483 176.000 0.294 0.000 1.097 342 Q CA -0.899 54.977 55.803 0.121 0.000 0.809 342 Q CB 2.621 31.352 28.738 -0.011 0.000 1.391 342 Q HN 0.758 nan 8.270 nan 0.000 0.428 343 W N -0.571 120.727 121.300 -0.002 0.000 3.042 343 W HA 0.499 5.159 4.660 0.001 0.000 0.342 343 W C -1.451 175.059 176.519 -0.015 0.000 1.240 343 W CA -0.901 56.437 57.345 -0.013 0.000 1.166 343 W CB 0.758 30.200 29.460 -0.029 0.000 1.469 343 W HN 0.221 nan 8.180 nan 0.000 0.579 344 Q N 2.274 122.168 119.800 0.156 0.000 2.256 344 Q HA 0.283 4.623 4.340 0.001 0.000 0.254 344 Q C 0.585 176.645 176.000 0.099 0.000 0.916 344 Q CA -0.240 55.586 55.803 0.038 0.000 0.932 344 Q CB 1.607 30.381 28.738 0.059 0.000 1.207 344 Q HN 0.622 nan 8.270 nan 0.000 0.426 348 G N 1.304 110.107 108.800 0.005 0.000 2.141 348 G HA2 -0.311 3.649 3.960 0.001 0.000 0.242 348 G HA3 -0.311 3.649 3.960 0.001 0.000 0.242 348 G C 0.128 175.017 174.900 -0.017 0.000 0.982 348 G CA 0.200 45.299 45.100 -0.000 0.000 0.662 348 G HN 0.760 nan 8.290 nan 0.000 0.527 349 R N 0.228 120.707 120.500 -0.035 0.000 2.532 349 R HA 0.625 4.965 4.340 0.001 0.000 0.295 349 R C -0.312 175.921 176.300 -0.112 0.000 0.968 349 R CA -0.197 55.865 56.100 -0.062 0.000 0.916 349 R CB 0.927 31.190 30.300 -0.061 0.000 1.124 349 R HN 0.018 nan 8.270 nan 0.000 0.463 350 T N 3.577 118.058 114.554 -0.121 0.000 2.834 350 T HA 0.104 4.454 4.350 0.001 0.000 0.298 350 T C -0.480 174.045 174.700 -0.293 0.000 0.966 350 T CA -0.062 61.928 62.100 -0.184 0.000 1.141 350 T CB 0.193 68.988 68.868 -0.123 0.000 0.905 350 T HN 0.553 nan 8.240 nan 0.000 0.535 351 C N 5.036 124.009 119.300 -0.546 0.000 2.411 351 C HA 0.698 5.159 4.460 0.001 0.000 0.330 351 C C -0.040 174.393 174.990 -0.928 0.000 1.224 351 C CA -0.928 57.628 59.018 -0.770 0.000 1.770 351 C CB 0.478 27.566 27.740 -1.088 0.000 2.297 351 C HN 0.983 nan 8.230 nan 0.000 0.507 352 K N 3.352 123.407 120.400 -0.574 0.000 2.207 352 K HA 0.768 5.088 4.320 0.001 0.000 0.255 352 K C -0.094 176.421 176.600 -0.141 0.000 0.941 352 K CA -0.010 56.091 56.287 -0.309 0.000 0.825 352 K CB 1.540 33.964 32.500 -0.128 0.000 1.119 352 K HN 1.093 nan 8.250 nan 0.000 0.430 353 G N 2.711 111.613 108.800 0.169 0.000 2.322 353 G HA2 0.224 4.184 3.960 0.001 0.000 0.295 353 G HA3 0.224 4.184 3.960 0.001 0.000 0.295 353 G C -3.207 171.925 174.900 0.388 0.000 1.369 353 G CA -1.016 44.306 45.100 0.369 0.000 0.821 353 G HN 0.385 nan 8.290 nan 0.000 0.536 354 P HA 0.126 nan 4.420 nan 0.000 0.266 354 P C 0.055 177.441 177.300 0.143 0.000 1.195 354 P CA -0.313 62.900 63.100 0.188 0.000 0.768 354 P CB 0.564 32.346 31.700 0.137 0.000 0.838 355 N N 2.003 120.772 118.700 0.114 0.000 2.263 355 N HA 0.077 4.817 4.740 0.001 0.000 0.239 355 N C 0.486 176.019 175.510 0.040 0.000 1.317 355 N CA -0.155 52.935 53.050 0.068 0.000 0.909 355 N CB 0.130 38.658 38.487 0.069 0.000 1.171 355 N HN 0.143 nan 8.380 nan 0.000 0.492 359 K N 0.418 120.610 120.400 -0.346 0.000 2.268 359 K HA 0.474 4.794 4.320 0.001 0.000 0.276 359 K C -0.668 175.737 176.600 -0.326 0.000 1.080 359 K CA -0.192 55.958 56.287 -0.229 0.000 0.910 359 K CB 0.258 32.688 32.500 -0.116 0.000 1.163 359 K HN 0.189 nan 8.250 nan 0.000 0.465 360 F N 2.407 122.279 119.950 -0.129 0.000 2.427 360 F HA 0.113 4.641 4.527 0.000 0.000 0.352 360 F C 1.781 177.541 175.800 -0.067 0.000 1.100 360 F CA -0.205 57.718 58.000 -0.129 0.000 1.191 360 F CB 0.988 39.892 39.000 -0.161 0.000 1.128 360 F HN 0.479 nan 8.300 nan 0.000 0.533 361 K N 1.830 122.290 120.400 0.101 0.000 2.007 361 K HA -0.132 4.189 4.320 0.001 0.000 0.206 361 K C 1.448 178.087 176.600 0.066 0.000 1.047 361 K CA 1.430 57.751 56.287 0.055 0.000 0.937 361 K CB 0.076 32.591 32.500 0.024 0.000 0.718 361 K HN 0.555 nan 8.250 nan 0.000 0.438 362 N N 0.604 119.345 118.700 0.069 0.000 2.251 362 N HA -0.043 4.697 4.740 0.001 0.000 0.181 362 N C -0.118 175.420 175.510 0.046 0.000 1.019 362 N CA 0.751 53.828 53.050 0.045 0.000 0.862 362 N CB 0.125 38.629 38.487 0.027 0.000 0.992 362 N HN 0.166 nan 8.380 nan 0.000 0.429 363 N N 1.543 120.273 118.700 0.049 0.000 2.918 363 N HA 0.240 4.980 4.740 0.001 0.000 0.270 363 N C -2.758 172.802 175.510 0.083 0.000 1.536 363 N CA -0.901 52.166 53.050 0.030 0.000 0.877 363 N CB 1.882 40.329 38.487 -0.068 0.000 1.190 363 N HN 0.160 nan 8.380 nan 0.000 0.492 364 P HA 0.056 nan 4.420 nan 0.000 0.269 364 P C 0.721 178.200 177.300 0.298 0.000 1.209 364 P CA 0.092 63.328 63.100 0.226 0.000 0.776 364 P CB 0.977 32.763 31.700 0.144 0.000 0.876 365 G N 2.086 111.115 108.800 0.380 0.000 2.606 365 G HA2 0.436 4.397 3.960 0.001 0.000 0.252 365 G HA3 0.436 4.397 3.960 0.001 0.000 0.252 365 G C -0.439 174.550 174.900 0.148 0.000 1.206 365 G CA -0.353 45.040 45.100 0.489 0.000 0.861 365 G HN 0.722 nan 8.290 nan 0.000 0.561 366 Q N -1.306 118.409 119.800 -0.141 0.000 2.534 366 Q HA 0.524 4.865 4.340 0.001 0.000 0.290 366 Q C -1.566 174.284 176.000 -0.249 0.000 0.991 366 Q CA -1.005 54.620 55.803 -0.297 0.000 0.783 366 Q CB 1.523 29.967 28.738 -0.491 0.000 1.470 366 Q HN 0.373 nan 8.270 nan 0.000 0.406 367 I N 2.795 123.251 120.570 -0.191 0.000 2.297 367 I HA 0.182 4.353 4.170 0.001 0.000 0.291 367 I C 0.476 176.523 176.117 -0.116 0.000 1.033 367 I CA -0.451 60.709 61.300 -0.232 0.000 1.253 367 I CB 0.397 38.163 38.000 -0.389 0.000 1.396 367 I HN 0.716 nan 8.210 nan 0.000 0.476 368 W N 6.118 127.318 121.300 -0.165 0.000 2.993 368 W HA 0.407 5.068 4.660 0.000 0.000 0.290 368 W C 0.123 176.634 176.519 -0.013 0.000 1.203 368 W CA -0.341 56.954 57.345 -0.082 0.000 1.582 368 W CB 0.335 29.773 29.460 -0.035 0.000 1.033 368 W HN 0.369 nan 8.180 nan 0.000 0.594 369 R N 0.466 120.522 120.500 -0.740 0.000 2.594 369 R HA 0.402 4.742 4.340 0.001 0.000 0.265 369 R C 0.242 176.274 176.300 -0.446 0.000 1.070 369 R CA -0.215 55.510 56.100 -0.626 0.000 0.909 369 R CB 1.550 31.206 30.300 -1.072 0.000 1.243 369 R HN -0.003 nan 8.270 nan 0.000 0.455 373 S N -0.388 115.345 115.700 0.055 0.000 2.624 373 S HA 0.281 4.751 4.470 0.001 0.000 0.263 373 S C 0.325 174.915 174.600 -0.015 0.000 1.287 373 S CA -0.302 57.920 58.200 0.037 0.000 0.990 373 S CB 0.250 63.469 63.200 0.033 0.000 0.950 373 S HN 0.721 nan 8.310 nan 0.000 0.561 374 H N 1.077 120.061 119.070 -0.144 0.000 3.091 374 H HA 0.422 4.978 4.556 0.001 0.000 0.289 374 H C 1.116 176.336 175.328 -0.180 0.000 0.995 374 H CA 1.394 57.311 56.048 -0.218 0.000 1.461 374 H CB -0.886 28.787 29.762 -0.149 0.000 1.510 374 H HN 1.219 nan 8.280 nan 0.000 0.546 378 T N 1.131 115.651 114.554 -0.057 0.000 2.624 378 T HA -0.209 4.142 4.350 0.001 0.000 0.268 378 T C 2.121 176.774 174.700 -0.079 0.000 1.041 378 T CA 2.164 64.210 62.100 -0.089 0.000 1.159 378 T CB -0.051 68.738 68.868 -0.131 0.000 0.863 378 T HN 0.326 nan 8.240 nan 0.000 0.434 379 A N 1.311 124.092 122.820 -0.065 0.000 1.902 379 A HA 0.132 4.453 4.320 0.001 0.000 0.217 379 A C 2.657 180.221 177.584 -0.032 0.000 1.181 379 A CA 1.989 53.995 52.037 -0.051 0.000 0.623 379 A CB -1.154 17.821 19.000 -0.042 0.000 0.818 379 A HN 0.533 nan 8.150 nan 0.000 0.443 380 A N -0.135 122.671 122.820 -0.022 0.000 1.877 380 A HA -0.076 4.244 4.320 0.001 0.000 0.216 380 A C 2.134 179.703 177.584 -0.024 0.000 1.186 380 A CA 1.548 53.574 52.037 -0.018 0.000 0.620 380 A CB -0.613 18.387 19.000 -0.001 0.000 0.822 380 A HN 0.491 nan 8.150 nan 0.000 0.443 381 I N -0.325 120.228 120.570 -0.028 0.000 2.179 381 I HA -0.259 3.912 4.170 0.001 0.000 0.242 381 I C 2.386 178.489 176.117 -0.024 0.000 1.088 381 I CA 1.151 62.430 61.300 -0.036 0.000 1.357 381 I CB -0.304 37.671 38.000 -0.042 0.000 1.051 381 I HN 0.287 nan 8.210 nan 0.000 0.409 382 L N 0.473 121.670 121.223 -0.043 0.000 2.093 382 L HA -0.225 4.116 4.340 0.001 0.000 0.208 382 L C 2.631 179.571 176.870 0.117 0.000 1.085 382 L CA 1.350 56.175 54.840 -0.024 0.000 0.755 382 L CB -0.598 41.351 42.059 -0.183 0.000 0.904 382 L HN 0.243 nan 8.230 nan 0.000 0.435 383 K N 0.809 121.242 120.400 0.055 0.000 2.057 383 K HA -0.200 4.120 4.320 0.001 0.000 0.207 383 K C 1.723 178.343 176.600 0.034 0.000 1.049 383 K CA 1.878 58.195 56.287 0.051 0.000 0.931 383 K CB -0.122 32.384 32.500 0.009 0.000 0.714 383 K HN 0.411 nan 8.250 nan 0.000 0.440 384 N N 0.739 119.446 118.700 0.012 0.000 2.205 384 N HA -0.142 4.598 4.740 0.001 0.000 0.186 384 N C 1.664 177.182 175.510 0.013 0.000 1.015 384 N CA 1.390 54.438 53.050 -0.004 0.000 0.862 384 N CB -0.217 38.258 38.487 -0.021 0.000 0.986 384 N HN 0.416 nan 8.380 nan 0.000 0.429 385 I N -3.852 116.749 120.570 0.052 0.000 3.861 385 I HA 0.413 4.584 4.170 0.001 0.000 0.329 385 I C 0.857 177.001 176.117 0.045 0.000 1.321 385 I CA 0.015 61.351 61.300 0.061 0.000 1.126 385 I CB 0.291 38.342 38.000 0.085 0.000 1.018 385 I HN 0.032 nan 8.210 nan 0.000 0.407 386 G N 0.445 109.260 108.800 0.026 0.000 2.168 386 G HA2 -0.241 3.720 3.960 0.001 0.000 0.197 386 G HA3 -0.241 3.720 3.960 0.001 0.000 0.197 386 G C -0.249 174.553 174.900 -0.163 0.000 0.997 386 G CA -0.507 44.541 45.100 -0.088 0.000 0.658 386 G HN 0.427 nan 8.290 nan 0.000 0.513 387 Y N 2.504 122.784 120.300 -0.034 0.000 2.316 387 Y HA 0.506 5.057 4.550 0.000 0.000 0.331 387 Y C 1.372 177.253 175.900 -0.032 0.000 1.083 387 Y CA 0.195 58.276 58.100 -0.032 0.000 1.206 387 Y CB 1.242 39.681 38.460 -0.036 0.000 1.195 387 Y HN 0.343 nan 8.280 nan 0.000 0.497 388 S N 1.195 116.947 115.700 0.087 0.000 2.624 388 S HA 0.121 4.591 4.470 0.001 0.000 0.263 388 S C 0.942 175.575 174.600 0.056 0.000 1.287 388 S CA -0.671 57.557 58.200 0.046 0.000 0.990 388 S CB 1.022 64.232 63.200 0.015 0.000 0.950 388 S HN 0.818 nan 8.310 nan 0.000 0.561 389 E N 0.879 121.094 120.200 0.025 0.000 2.085 389 E HA -0.197 4.154 4.350 0.001 0.000 0.194 389 E C 1.612 178.219 176.600 0.012 0.000 0.994 389 E CA 1.325 57.733 56.400 0.013 0.000 0.801 389 E CB -0.255 29.445 29.700 0.001 0.000 0.743 389 E HN 0.585 nan 8.360 nan 0.000 0.453 390 N N 1.059 119.767 118.700 0.015 0.000 2.120 390 N HA -0.142 4.599 4.740 0.001 0.000 0.188 390 N C 1.347 176.873 175.510 0.027 0.000 1.024 390 N CA 1.071 54.128 53.050 0.013 0.000 0.852 390 N CB -0.332 38.160 38.487 0.009 0.000 1.003 390 N HN 0.152 nan 8.380 nan 0.000 0.424 391 D N 0.720 121.156 120.400 0.059 0.000 2.104 391 D HA -0.077 4.564 4.640 0.001 0.000 0.194 391 D C 2.103 178.449 176.300 0.077 0.000 0.994 391 D CA 0.654 54.722 54.000 0.114 0.000 0.830 391 D CB -0.256 40.692 40.800 0.246 0.000 0.959 391 D HN 0.295 nan 8.370 nan 0.000 0.452 392 I N 0.515 121.110 120.570 0.043 0.000 2.252 392 I HA -0.258 3.912 4.170 0.001 0.000 0.245 392 I C 2.594 178.684 176.117 -0.045 0.000 1.102 392 I CA 0.901 62.180 61.300 -0.035 0.000 1.385 392 I CB -0.210 37.767 38.000 -0.039 0.000 1.064 392 I HN -0.039 nan 8.210 nan 0.000 0.414 393 Q N 0.648 120.433 119.800 -0.025 0.000 2.112 393 Q HA -0.304 4.036 4.340 0.001 0.000 0.206 393 Q C 2.178 178.159 176.000 -0.031 0.000 0.987 393 Q CA 2.099 57.884 55.803 -0.030 0.000 0.858 393 Q CB -0.079 28.648 28.738 -0.019 0.000 0.905 393 Q HN 0.457 nan 8.270 nan 0.000 0.420 394 E N -0.070 120.119 120.200 -0.017 0.000 2.058 394 E HA -0.220 4.130 4.350 0.001 0.000 0.194 394 E C 1.955 178.535 176.600 -0.032 0.000 0.997 394 E CA 1.084 57.475 56.400 -0.015 0.000 0.801 394 E CB -0.101 29.603 29.700 0.006 0.000 0.746 394 E HN 0.382 nan 8.360 nan 0.000 0.450 395 L N 0.262 121.456 121.223 -0.048 0.000 2.046 395 L HA -0.191 4.149 4.340 0.001 0.000 0.208 395 L C 2.560 179.376 176.870 -0.090 0.000 1.077 395 L CA 0.798 55.590 54.840 -0.080 0.000 0.747 395 L CB -0.322 41.658 42.059 -0.132 0.000 0.896 395 L HN 0.108 nan 8.230 nan 0.000 0.432 396 V N -0.313 119.548 119.914 -0.089 0.000 2.358 396 V HA -0.262 3.859 4.120 0.001 0.000 0.246 396 V C 2.676 178.722 176.094 -0.080 0.000 1.047 396 V CA 1.994 64.237 62.300 -0.095 0.000 1.035 396 V CB -0.559 31.210 31.823 -0.091 0.000 0.658 396 V HN 0.648 nan 8.190 nan 0.000 0.452 397 S N -0.067 115.596 115.700 -0.061 0.000 2.402 397 S HA -0.183 4.287 4.470 0.001 0.000 0.229 397 S C 1.849 176.419 174.600 -0.050 0.000 1.021 397 S CA 1.148 59.318 58.200 -0.050 0.000 0.974 397 S CB -0.417 62.761 63.200 -0.037 0.000 0.800 397 S HN 0.610 nan 8.310 nan 0.000 0.484 398 K N 0.819 121.188 120.400 -0.052 0.000 2.486 398 K HA 0.191 4.511 4.320 0.001 0.000 0.194 398 K C 1.206 177.767 176.600 -0.065 0.000 1.033 398 K CA 0.403 56.660 56.287 -0.049 0.000 1.004 398 K CB -0.356 32.119 32.500 -0.041 0.000 0.798 398 K HN 0.605 nan 8.250 nan 0.000 0.495 399 G N 1.266 110.016 108.800 -0.083 0.000 2.143 399 G HA2 -0.251 3.709 3.960 0.001 0.000 0.248 399 G HA3 -0.251 3.709 3.960 0.001 0.000 0.248 399 G C 0.522 175.349 174.900 -0.122 0.000 0.991 399 G CA 0.066 45.101 45.100 -0.108 0.000 0.689 399 G HN 0.263 nan 8.290 nan 0.000 0.522 400 L N -0.694 120.463 121.223 -0.111 0.000 2.554 400 L HA 0.624 4.964 4.340 0.001 0.000 0.225 400 L C 1.348 178.134 176.870 -0.140 0.000 1.104 400 L CA 0.890 55.662 54.840 -0.114 0.000 0.866 400 L CB 0.182 42.186 42.059 -0.092 0.000 1.047 400 L HN 0.580 nan 8.230 nan 0.000 0.468 401 A N 0.030 122.760 122.820 -0.150 0.000 2.587 401 A HA 0.629 4.949 4.320 0.001 0.000 0.293 401 A C -1.215 176.259 177.584 -0.183 0.000 1.087 401 A CA -0.552 51.382 52.037 -0.171 0.000 0.692 401 A CB 1.936 20.829 19.000 -0.179 0.000 1.291 401 A HN -0.058 nan 8.150 nan 0.000 0.407 402 K N 1.361 121.628 120.400 -0.222 0.000 2.397 402 K HA 0.630 4.950 4.320 0.001 0.000 0.253 402 K C -0.258 176.196 176.600 -0.245 0.000 0.932 402 K CA -0.526 55.606 56.287 -0.258 0.000 0.795 402 K CB 1.735 34.000 32.500 -0.391 0.000 1.159 402 K HN 0.839 nan 8.250 nan 0.000 0.424 403 V N 0.196 119.996 119.914 -0.190 0.000 3.653 403 V HA 0.418 4.538 4.120 0.001 0.000 0.281 403 V C 0.308 176.311 176.094 -0.152 0.000 1.132 403 V CA -0.476 61.733 62.300 -0.151 0.000 0.915 403 V CB 0.539 32.299 31.823 -0.106 0.000 1.241 403 V HN 0.895 nan 8.190 nan 0.000 0.441 404 E N 0.663 120.802 120.200 -0.102 0.000 2.398 404 E HA 0.074 4.424 4.350 0.001 0.000 0.263 404 E C -0.650 175.905 176.600 -0.075 0.000 1.046 404 E CA -0.320 56.032 56.400 -0.081 0.000 0.908 404 E CB 0.240 29.913 29.700 -0.045 0.000 0.963 404 E HN 0.689 nan 8.360 nan 0.000 0.431 405 D N 0.000 120.364 120.400 -0.059 0.000 6.856 405 D HA 0.000 4.640 4.640 0.001 0.000 0.175 405 D CA 0.000 53.976 54.000 -0.041 0.000 0.868 405 D CB 0.000 40.790 40.800 -0.016 0.000 0.688 405 D HN 0.000 nan 8.370 nan 0.000 0.683