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 1xpq_1_C DATA FIRST_RESID 6 DATA SEQUENCE PAKKKVIIIG AGIAGLKAAS TLHQNGIQDC LVLEARDRVG GRLQTVTGYQ DATA SEQUENCE GRKYDIGASW HHDTLTNPLF LEEAQLSLND GRTRFVFDDD NFIYIDEERG DATA SEQUENCE RVDHDKELLL EIVDNEMSKF AELEFHQHLG VSDCSFFQLV MKYLLQRRQF DATA SEQUENCE LTNDQIRYLP QLCRYLELWH GLDWKLLSAK DTYFGHQGRN AFALNYDSVV DATA SEQUENCE QRIAQSFPQN WLKLScEVKS ITREPSKNVT VNcEDGTVYN ADYVIITVPQ DATA SEQUENCE SVLNLSVQPE KNLRGRIEFQ PPLKPVIQDA FDKIHFGALG KVIFEFEECC DATA SEQUENCE WSNESSKIVT LANSTNEFVE IVRNAENLDE LDSMLERXXX XXXTSVTCWS DATA SEQUENCE QPLFFVNLSK STGVASFMML MQAPLTNHIE SIREDKERLF SFFQPVLNKI DATA SEQUENCE MKCLDSEDVI DGMRPIENIA NANKPVLRNI IVSNWTRDPY SRGAYSACFP DATA SEQUENCE XXXXVDMVVA MSNGQDSRIR FAGEHTIMDG AGCAYGAWES GRREATRISD DATA SEQUENCE LLKLE 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 6 P HA 0.000 nan 4.420 nan 0.000 0.216 6 P C 0.000 177.263 177.300 -0.062 0.000 1.155 6 P CA 0.000 63.052 63.100 -0.080 0.000 0.800 6 P CB 0.000 31.668 31.700 -0.053 0.000 0.726 7 A N 1.280 124.042 122.820 -0.095 0.000 2.511 7 A HA 0.381 4.700 4.320 -0.001 0.000 0.242 7 A C 0.229 177.847 177.584 0.056 0.000 1.069 7 A CA 0.477 52.502 52.037 -0.021 0.000 0.763 7 A CB 0.424 19.406 19.000 -0.030 0.000 1.001 7 A HN 0.271 nan 8.150 nan 0.000 0.498 8 K N 2.070 122.501 120.400 0.051 0.000 2.159 8 K HA 0.553 4.872 4.320 -0.001 0.000 0.266 8 K C -0.634 175.992 176.600 0.043 0.000 0.975 8 K CA -0.720 55.593 56.287 0.043 0.000 0.865 8 K CB 1.455 33.965 32.500 0.017 0.000 1.087 8 K HN 0.639 nan 8.250 nan 0.000 0.446 9 K N 1.963 122.371 120.400 0.014 0.000 2.536 9 K HA 0.228 4.548 4.320 -0.001 0.000 0.269 9 K C 0.117 176.687 176.600 -0.051 0.000 0.965 9 K CA -0.926 55.340 56.287 -0.035 0.000 0.860 9 K CB 1.601 34.043 32.500 -0.096 0.000 1.423 9 K HN 0.205 nan 8.250 nan 0.000 0.438 10 K N 0.161 120.520 120.400 -0.069 0.000 2.001 10 K HA 0.043 4.362 4.320 -0.001 0.000 0.208 10 K C 0.296 176.878 176.600 -0.029 0.000 1.048 10 K CA 1.138 57.405 56.287 -0.034 0.000 0.932 10 K CB 0.254 32.736 32.500 -0.031 0.000 0.715 10 K HN 0.372 nan 8.250 nan 0.000 0.437 11 V N 1.049 120.886 119.914 -0.129 0.000 2.733 11 V HA 0.373 4.493 4.120 -0.001 0.000 0.306 11 V C -0.800 175.160 176.094 -0.223 0.000 1.084 11 V CA -0.833 61.392 62.300 -0.124 0.000 0.905 11 V CB 2.051 33.787 31.823 -0.146 0.000 1.010 11 V HN 0.028 nan 8.190 nan 0.000 0.424 12 I N 5.061 125.529 120.570 -0.169 0.000 2.362 12 I HA 0.490 4.659 4.170 -0.001 0.000 0.289 12 I C -0.635 175.376 176.117 -0.177 0.000 0.994 12 I CA -0.436 60.737 61.300 -0.212 0.000 1.158 12 I CB 1.689 39.581 38.000 -0.179 0.000 1.315 12 I HN 0.428 nan 8.210 nan 0.000 0.451 13 I N 7.303 127.751 120.570 -0.203 0.000 2.339 13 I HA 0.385 4.554 4.170 -0.001 0.000 0.290 13 I C -0.194 175.855 176.117 -0.114 0.000 0.994 13 I CA -0.534 60.675 61.300 -0.152 0.000 1.191 13 I CB 1.489 39.382 38.000 -0.177 0.000 1.343 13 I HN 0.375 nan 8.210 nan 0.000 0.458 14 I N 5.823 126.352 120.570 -0.067 0.000 2.312 14 I HA 0.570 4.740 4.170 -0.001 0.000 0.290 14 I C 0.485 176.606 176.117 0.007 0.000 1.008 14 I CA -0.197 61.082 61.300 -0.035 0.000 1.226 14 I CB 1.272 39.264 38.000 -0.013 0.000 1.371 14 I HN 0.819 nan 8.210 nan 0.000 0.468 15 G N 4.390 113.193 108.800 0.004 0.000 2.885 15 G HA2 0.149 4.109 3.960 -0.001 0.000 0.685 15 G HA3 0.149 4.109 3.960 -0.001 0.000 0.685 15 G C -0.456 174.463 174.900 0.032 0.000 1.216 15 G CA -0.320 44.800 45.100 0.033 0.000 0.790 15 G HN 0.883 nan 8.290 nan 0.000 0.631 16 A N 1.262 124.110 122.820 0.047 0.000 2.701 16 A HA 0.784 5.104 4.320 -0.001 0.000 0.297 16 A C 1.307 178.946 177.584 0.090 0.000 1.197 16 A CA 1.107 53.188 52.037 0.073 0.000 0.963 16 A CB -0.140 18.909 19.000 0.082 0.000 1.175 16 A HN 2.161 nan 8.150 nan 0.000 0.531 17 G N -0.821 108.028 108.800 0.082 0.000 2.621 17 G HA2 0.359 4.319 3.960 -0.001 0.000 0.271 17 G HA3 0.359 4.319 3.960 -0.001 0.000 0.271 17 G C 1.044 176.004 174.900 0.100 0.000 1.236 17 G CA -0.148 45.001 45.100 0.081 0.000 0.958 17 G HN 0.381 nan 8.290 nan 0.000 0.512 18 I N 0.027 120.658 120.570 0.103 0.000 2.236 18 I HA -0.270 3.899 4.170 -0.001 0.000 0.249 18 I C 2.789 179.004 176.117 0.164 0.000 1.102 18 I CA 2.033 63.434 61.300 0.170 0.000 1.365 18 I CB -0.025 38.091 38.000 0.193 0.000 1.051 18 I HN 0.494 nan 8.210 nan 0.000 0.420 19 A N 0.586 123.477 122.820 0.119 0.000 1.851 19 A HA -0.164 4.156 4.320 -0.001 0.000 0.216 19 A C 2.401 179.998 177.584 0.021 0.000 1.195 19 A CA 1.867 53.946 52.037 0.070 0.000 0.622 19 A CB -1.734 17.315 19.000 0.082 0.000 0.831 19 A HN 0.510 nan 8.150 nan 0.000 0.444 20 G N -0.397 108.422 108.800 0.032 0.000 2.442 20 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.219 20 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.219 20 G C 1.577 176.450 174.900 -0.045 0.000 1.141 20 G CA 1.123 46.215 45.100 -0.013 0.000 0.763 20 G HN 0.424 nan 8.290 nan 0.000 0.554 21 L N -0.139 121.110 121.223 0.043 0.000 1.988 21 L HA -0.034 4.305 4.340 -0.001 0.000 0.207 21 L C 2.779 179.683 176.870 0.056 0.000 1.071 21 L CA 1.584 56.490 54.840 0.111 0.000 0.744 21 L CB -0.385 41.830 42.059 0.261 0.000 0.893 21 L HN 0.164 nan 8.230 nan 0.000 0.433 22 K N 0.654 121.087 120.400 0.055 0.000 2.103 22 K HA -0.158 4.161 4.320 -0.001 0.000 0.207 22 K C 1.909 178.416 176.600 -0.155 0.000 1.048 22 K CA 1.556 57.801 56.287 -0.069 0.000 0.930 22 K CB -0.483 31.793 32.500 -0.374 0.000 0.716 22 K HN 0.267 nan 8.250 nan 0.000 0.444 23 A N 0.840 123.566 122.820 -0.156 0.000 1.848 23 A HA -0.197 4.122 4.320 -0.001 0.000 0.217 23 A C 2.437 179.921 177.584 -0.166 0.000 1.220 23 A CA 3.049 54.987 52.037 -0.166 0.000 0.645 23 A CB -1.665 17.246 19.000 -0.148 0.000 0.842 23 A HN 0.470 nan 8.150 nan 0.000 0.451 24 A N -1.005 121.663 122.820 -0.254 0.000 1.896 24 A HA -0.268 4.051 4.320 -0.001 0.000 0.220 24 A C 2.515 180.040 177.584 -0.098 0.000 1.206 24 A CA 3.158 55.004 52.037 -0.318 0.000 0.647 24 A CB -1.459 16.993 19.000 -0.913 0.000 0.828 24 A HN 0.927 nan 8.150 nan 0.000 0.455 25 S N -1.414 114.243 115.700 -0.071 0.000 2.381 25 S HA -0.241 4.228 4.470 -0.001 0.000 0.230 25 S C 2.055 176.742 174.600 0.145 0.000 1.052 25 S CA 2.645 60.976 58.200 0.219 0.000 1.068 25 S CB -0.761 62.583 63.200 0.240 0.000 0.918 25 S HN 0.686 nan 8.310 nan 0.000 0.448 26 T N 2.424 116.992 114.554 0.023 0.000 2.737 26 T HA 0.071 4.420 4.350 -0.001 0.000 0.265 26 T C 1.801 176.516 174.700 0.025 0.000 1.038 26 T CA 1.257 63.349 62.100 -0.013 0.000 1.144 26 T CB -0.498 68.308 68.868 -0.103 0.000 0.866 26 T HN 0.300 nan 8.240 nan 0.000 0.434 27 L N 0.359 121.600 121.223 0.030 0.000 1.997 27 L HA -0.262 4.078 4.340 -0.001 0.000 0.216 27 L C 2.653 179.645 176.870 0.203 0.000 1.074 27 L CA 1.900 56.781 54.840 0.068 0.000 0.763 27 L CB -0.552 41.523 42.059 0.025 0.000 0.890 27 L HN 0.513 nan 8.230 nan 0.000 0.434 28 H N -0.629 118.572 119.070 0.220 0.000 2.321 28 H HA -0.243 4.312 4.556 -0.001 0.000 0.300 28 H C 2.298 177.684 175.328 0.098 0.000 1.087 28 H CA 1.944 58.117 56.048 0.210 0.000 1.319 28 H CB 0.186 30.017 29.762 0.114 0.000 1.379 28 H HN 0.421 nan 8.280 nan 0.000 0.501 29 Q N 0.427 120.221 119.800 -0.011 0.000 2.077 29 Q HA -0.168 4.171 4.340 -0.001 0.000 0.206 29 Q C 1.518 177.465 176.000 -0.089 0.000 0.989 29 Q CA 1.786 57.531 55.803 -0.097 0.000 0.853 29 Q CB 0.021 28.753 28.738 -0.009 0.000 0.907 29 Q HN 0.437 nan 8.270 nan 0.000 0.418 30 N N -0.262 118.419 118.700 -0.031 0.000 2.571 30 N HA 0.011 4.750 4.740 -0.001 0.000 0.189 30 N C 0.214 175.713 175.510 -0.017 0.000 1.154 30 N CA 1.104 54.139 53.050 -0.025 0.000 0.907 30 N CB 0.300 38.776 38.487 -0.018 0.000 0.977 30 N HN 0.470 nan 8.380 nan 0.000 0.449 31 G N 0.713 109.494 108.800 -0.031 0.000 2.289 31 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.280 31 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.280 31 G C -0.183 174.771 174.900 0.090 0.000 1.089 31 G CA -0.291 44.809 45.100 0.001 0.000 0.939 31 G HN 0.163 nan 8.290 nan 0.000 0.499 32 I N -0.693 119.979 120.570 0.171 0.000 2.793 32 I HA 0.585 4.754 4.170 -0.001 0.000 0.313 32 I C 0.616 176.940 176.117 0.344 0.000 0.998 32 I CA -0.460 60.949 61.300 0.181 0.000 1.140 32 I CB 1.665 39.730 38.000 0.109 0.000 1.327 32 I HN 0.408 nan 8.210 nan 0.000 0.491 33 Q N 1.172 121.131 119.800 0.264 0.000 2.615 33 Q HA 0.317 4.656 4.340 -0.001 0.000 0.298 33 Q C -1.081 175.025 176.000 0.177 0.000 1.023 33 Q CA -0.779 55.254 55.803 0.383 0.000 0.768 33 Q CB 2.152 31.062 28.738 0.288 0.000 1.500 33 Q HN 0.521 nan 8.270 nan 0.000 0.441 34 D N -0.190 120.349 120.400 0.232 0.000 2.800 34 D HA -0.158 4.481 4.640 -0.001 0.000 0.232 34 D C -0.943 175.178 176.300 -0.298 0.000 1.137 34 D CA 0.608 54.622 54.000 0.024 0.000 0.718 34 D CB -1.221 39.601 40.800 0.036 0.000 1.084 34 D HN 0.390 nan 8.370 nan 0.000 0.432 35 C N 0.302 119.099 119.300 -0.838 0.000 2.364 35 C HA 0.745 5.204 4.460 -0.001 0.000 0.356 35 C C 0.469 174.741 174.990 -1.198 0.000 1.201 35 C CA -0.693 57.651 59.018 -1.124 0.000 2.227 35 C CB 1.273 28.099 27.740 -1.522 0.000 2.387 35 C HN 0.347 nan 8.230 nan 0.000 0.546 36 L N 2.045 122.840 121.223 -0.712 0.000 2.422 36 L HA 0.721 5.060 4.340 -0.001 0.000 0.264 36 L C -0.862 175.794 176.870 -0.357 0.000 0.984 36 L CA -0.106 54.441 54.840 -0.489 0.000 0.819 36 L CB 2.092 43.868 42.059 -0.472 0.000 1.330 36 L HN 0.487 nan 8.230 nan 0.000 0.410 37 V N 5.197 124.988 119.914 -0.204 0.000 2.407 37 V HA 0.493 4.612 4.120 -0.001 0.000 0.291 37 V C -0.454 175.585 176.094 -0.092 0.000 1.018 37 V CA -0.538 61.686 62.300 -0.127 0.000 0.842 37 V CB 1.584 33.390 31.823 -0.028 0.000 0.996 37 V HN 0.502 nan 8.190 nan 0.000 0.426 38 L N 4.330 125.486 121.223 -0.111 0.000 2.296 38 L HA 0.721 5.061 4.340 -0.001 0.000 0.286 38 L C -0.306 176.534 176.870 -0.050 0.000 1.023 38 L CA -0.461 54.326 54.840 -0.087 0.000 0.812 38 L CB 1.697 43.688 42.059 -0.114 0.000 1.223 38 L HN 0.624 nan 8.230 nan 0.000 0.421 39 E N 2.132 122.307 120.200 -0.041 0.000 2.199 39 E HA 0.532 4.882 4.350 -0.001 0.000 0.265 39 E C 0.229 176.759 176.600 -0.116 0.000 0.882 39 E CA -0.291 56.076 56.400 -0.055 0.000 0.759 39 E CB 2.066 31.755 29.700 -0.018 0.000 1.148 39 E HN 0.578 nan 8.360 nan 0.000 0.412 40 A N 5.352 128.041 122.820 -0.219 0.000 1.883 40 A HA -0.087 4.233 4.320 -0.001 0.000 0.217 40 A C 1.050 178.392 177.584 -0.403 0.000 1.186 40 A CA 1.084 52.872 52.037 -0.415 0.000 0.624 40 A CB -0.380 18.066 19.000 -0.923 0.000 0.822 40 A HN 0.654 nan 8.150 nan 0.000 0.444 41 R N -0.005 120.282 120.500 -0.355 0.000 2.801 41 R HA 0.216 4.555 4.340 -0.001 0.000 0.273 41 R C -0.262 175.988 176.300 -0.083 0.000 1.080 41 R CA 0.486 56.480 56.100 -0.178 0.000 1.197 41 R CB 0.013 30.277 30.300 -0.061 0.000 1.109 41 R HN 0.600 nan 8.270 nan 0.000 0.535 42 D N -0.347 120.032 120.400 -0.035 0.000 2.460 42 D HA 0.064 4.703 4.640 -0.001 0.000 0.229 42 D C -0.199 176.106 176.300 0.007 0.000 1.170 42 D CA -0.410 53.584 54.000 -0.011 0.000 0.827 42 D CB 0.044 40.842 40.800 -0.003 0.000 0.973 42 D HN 0.418 nan 8.370 nan 0.000 0.496 43 R N -1.073 119.436 120.500 0.015 0.000 2.710 43 R HA 0.595 4.935 4.340 -0.001 0.000 0.270 43 R C -0.770 175.558 176.300 0.047 0.000 1.021 43 R CA -1.104 55.017 56.100 0.034 0.000 0.889 43 R CB 1.033 31.359 30.300 0.043 0.000 1.243 43 R HN -0.053 nan 8.270 nan 0.000 0.464 44 V N -1.028 118.922 119.914 0.060 0.000 3.561 44 V HA 0.845 4.965 4.120 -0.001 0.000 0.290 44 V C 1.091 177.235 176.094 0.084 0.000 1.052 44 V CA 0.372 62.719 62.300 0.079 0.000 0.973 44 V CB 0.617 32.499 31.823 0.097 0.000 1.243 44 V HN 1.199 nan 8.190 nan 0.000 0.432 45 G N -1.508 107.345 108.800 0.089 0.000 2.308 45 G HA2 0.082 4.041 3.960 -0.001 0.000 0.221 45 G HA3 0.082 4.041 3.960 -0.001 0.000 0.221 45 G C 1.735 176.674 174.900 0.065 0.000 1.032 45 G CA 0.793 45.938 45.100 0.075 0.000 0.623 45 G HN 2.714 nan 8.290 nan 0.000 0.506 46 G N 0.394 109.251 108.800 0.094 0.000 2.622 46 G HA2 -0.370 3.590 3.960 -0.001 0.000 0.307 46 G HA3 -0.370 3.590 3.960 -0.001 0.000 0.307 46 G C 0.720 175.657 174.900 0.061 0.000 1.226 46 G CA 1.262 46.416 45.100 0.090 0.000 0.997 46 G HN 1.224 nan 8.290 nan 0.000 0.551 47 R N -0.023 120.395 120.500 -0.137 0.000 2.346 47 R HA 0.322 4.661 4.340 -0.001 0.000 0.225 47 R C 0.277 176.365 176.300 -0.353 0.000 0.987 47 R CA 0.004 55.779 56.100 -0.543 0.000 1.106 47 R CB -0.324 29.601 30.300 -0.625 0.000 1.090 47 R HN 0.310 nan 8.270 nan 0.000 0.502 48 L N 1.318 122.463 121.223 -0.130 0.000 2.294 48 L HA 0.341 4.680 4.340 -0.001 0.000 0.283 48 L C -0.551 176.345 176.870 0.043 0.000 1.015 48 L CA -0.357 54.395 54.840 -0.146 0.000 0.831 48 L CB 1.478 43.396 42.059 -0.236 0.000 1.217 48 L HN 0.067 nan 8.230 nan 0.000 0.420 49 Q N 2.335 122.217 119.800 0.137 0.000 2.309 49 Q HA 0.460 4.799 4.340 -0.001 0.000 0.273 49 Q C -1.604 174.479 176.000 0.139 0.000 1.040 49 Q CA -0.581 55.329 55.803 0.179 0.000 0.834 49 Q CB 2.705 31.617 28.738 0.290 0.000 1.345 49 Q HN 0.444 nan 8.270 nan 0.000 0.414 50 T N 3.195 117.809 114.554 0.101 0.000 2.809 50 T HA 0.474 4.823 4.350 -0.001 0.000 0.296 50 T C -0.247 174.505 174.700 0.087 0.000 1.015 50 T CA -0.470 61.685 62.100 0.092 0.000 0.954 50 T CB 0.828 69.736 68.868 0.066 0.000 0.950 50 T HN 0.496 nan 8.240 nan 0.000 0.450 51 V N 1.774 121.751 119.914 0.106 0.000 2.973 51 V HA 0.840 4.959 4.120 -0.001 0.000 0.314 51 V C 0.018 176.195 176.094 0.138 0.000 1.066 51 V CA -0.591 61.762 62.300 0.088 0.000 1.021 51 V CB 1.576 33.429 31.823 0.050 0.000 1.076 51 V HN 0.719 nan 8.190 nan 0.000 0.462 52 T N 2.198 116.817 114.554 0.108 0.000 2.829 52 T HA 0.797 5.146 4.350 -0.001 0.000 0.280 52 T C 0.346 175.131 174.700 0.142 0.000 0.999 52 T CA 0.330 62.507 62.100 0.128 0.000 0.983 52 T CB 1.435 70.344 68.868 0.068 0.000 0.968 52 T HN 1.293 nan 8.240 nan 0.000 0.446 53 G N 0.510 109.441 108.800 0.219 0.000 3.302 53 G HA2 0.425 4.384 3.960 -0.001 0.000 0.170 53 G HA3 0.425 4.384 3.960 -0.001 0.000 0.170 53 G C -0.987 174.044 174.900 0.218 0.000 1.119 53 G CA -0.573 44.644 45.100 0.195 0.000 0.826 53 G HN 0.574 nan 8.290 nan 0.000 0.646 54 Y N 1.957 122.310 120.300 0.088 0.000 2.805 54 Y HA 0.103 4.652 4.550 -0.001 0.000 0.331 54 Y C 1.404 177.345 175.900 0.070 0.000 1.241 54 Y CA 1.253 59.389 58.100 0.061 0.000 1.546 54 Y CB -0.048 38.443 38.460 0.051 0.000 1.248 54 Y HN 0.678 nan 8.280 nan 0.000 0.559 55 Q N 3.476 123.083 119.800 -0.323 0.000 2.461 55 Q HA -0.288 4.052 4.340 -0.001 0.000 0.264 55 Q C 1.071 177.006 176.000 -0.110 0.000 1.085 55 Q CA 0.904 56.524 55.803 -0.305 0.000 1.006 55 Q CB -1.938 26.534 28.738 -0.443 0.000 1.437 55 Q HN 1.322 nan 8.270 nan 0.000 0.514 56 G N -0.159 108.621 108.800 -0.032 0.000 2.159 56 G HA2 -0.370 3.589 3.960 -0.001 0.000 0.256 56 G HA3 -0.370 3.589 3.960 -0.001 0.000 0.256 56 G C 0.080 174.979 174.900 -0.000 0.000 0.977 56 G CA 0.284 45.379 45.100 -0.008 0.000 0.652 56 G HN 0.365 nan 8.290 nan 0.000 0.531 57 R N 0.598 121.119 120.500 0.036 0.000 2.522 57 R HA 0.385 4.724 4.340 -0.001 0.000 0.284 57 R C 0.348 176.586 176.300 -0.103 0.000 1.032 57 R CA 0.471 56.539 56.100 -0.054 0.000 1.049 57 R CB 0.427 30.772 30.300 0.075 0.000 0.956 57 R HN 0.318 nan 8.270 nan 0.000 0.422 58 K N 2.777 122.986 120.400 -0.318 0.000 2.156 58 K HA 0.407 4.726 4.320 -0.001 0.000 0.254 58 K C -1.228 175.104 176.600 -0.447 0.000 0.950 58 K CA -0.645 55.532 56.287 -0.182 0.000 0.849 58 K CB 1.536 33.990 32.500 -0.077 0.000 1.100 58 K HN 0.350 nan 8.250 nan 0.000 0.434 59 Y N -0.160 120.170 120.300 0.050 0.000 2.504 59 Y HA 0.176 4.725 4.550 -0.001 0.000 0.344 59 Y C -0.578 175.341 175.900 0.032 0.000 1.023 59 Y CA -1.302 56.833 58.100 0.057 0.000 1.020 59 Y CB 1.410 39.912 38.460 0.069 0.000 1.282 59 Y HN 0.468 nan 8.280 nan 0.000 0.454 60 D N 2.405 122.889 120.400 0.140 0.000 2.339 60 D HA 0.100 4.740 4.640 -0.001 0.000 0.256 60 D C 0.500 176.889 176.300 0.148 0.000 1.214 60 D CA 0.302 54.357 54.000 0.092 0.000 0.877 60 D CB 1.773 42.565 40.800 -0.013 0.000 1.111 60 D HN 0.583 nan 8.370 nan 0.000 0.478 61 I N 2.371 123.056 120.570 0.192 0.000 3.728 61 I HA 0.125 4.294 4.170 -0.001 0.000 0.307 61 I C 1.186 177.584 176.117 0.468 0.000 1.276 61 I CA 0.326 61.760 61.300 0.224 0.000 1.285 61 I CB 0.266 38.321 38.000 0.092 0.000 1.038 61 I HN 0.395 nan 8.210 nan 0.000 0.445 62 G N -0.446 108.600 108.800 0.410 0.000 3.410 62 G HA2 0.585 4.545 3.960 -0.001 0.000 0.189 62 G HA3 0.585 4.545 3.960 -0.001 0.000 0.189 62 G C -0.170 174.775 174.900 0.074 0.000 1.404 62 G CA 0.035 45.312 45.100 0.295 0.000 0.898 62 G HN 0.334 nan 8.290 nan 0.000 0.650 63 A N -0.770 121.986 122.820 -0.106 0.000 2.520 63 A HA 0.492 4.812 4.320 -0.001 0.000 0.235 63 A C 0.952 178.537 177.584 0.002 0.000 1.065 63 A CA 1.199 53.169 52.037 -0.112 0.000 0.764 63 A CB 0.753 19.505 19.000 -0.413 0.000 1.002 63 A HN 0.967 nan 8.150 nan 0.000 0.502 64 S N 0.437 116.151 115.700 0.023 0.000 2.615 64 S HA 0.224 4.694 4.470 -0.001 0.000 0.277 64 S C -0.560 173.567 174.600 -0.789 0.000 1.068 64 S CA -0.253 57.698 58.200 -0.415 0.000 1.315 64 S CB 0.129 62.926 63.200 -0.671 0.000 1.193 64 S HN 0.691 nan 8.310 nan 0.000 0.656 65 W N 2.191 123.350 121.300 -0.235 0.000 2.844 65 W HA 0.494 5.153 4.660 -0.001 0.000 0.340 65 W C -0.657 175.495 176.519 -0.612 0.000 1.093 65 W CA -0.550 56.549 57.345 -0.410 0.000 1.212 65 W CB 0.739 29.983 29.460 -0.361 0.000 1.422 65 W HN 0.139 nan 8.180 nan 0.000 0.515 66 H N 2.839 121.753 119.070 -0.260 0.000 2.594 66 H HA 0.219 4.774 4.556 -0.001 0.000 0.304 66 H C 0.206 175.354 175.328 -0.299 0.000 1.068 66 H CA 0.084 55.948 56.048 -0.306 0.000 1.308 66 H CB 0.904 30.417 29.762 -0.416 0.000 1.409 66 H HN 0.228 nan 8.280 nan 0.000 0.460 67 H N 1.734 120.882 119.070 0.130 0.000 2.517 67 H HA 0.032 4.588 4.556 -0.001 0.000 0.346 67 H C 0.379 175.694 175.328 -0.022 0.000 1.222 67 H CA -0.513 55.611 56.048 0.127 0.000 1.314 67 H CB 0.924 30.849 29.762 0.272 0.000 1.609 67 H HN 0.647 nan 8.280 nan 0.000 0.571 68 D N 0.399 120.886 120.400 0.145 0.000 2.686 68 D HA -0.167 4.473 4.640 -0.001 0.000 0.235 68 D C 1.157 177.348 176.300 -0.181 0.000 1.160 68 D CA 1.159 55.154 54.000 -0.007 0.000 0.645 68 D CB -1.707 39.105 40.800 0.021 0.000 1.039 68 D HN 0.781 nan 8.370 nan 0.000 0.423 69 T N -3.101 111.269 114.554 -0.307 0.000 3.052 69 T HA -0.093 4.257 4.350 -0.001 0.000 0.270 69 T C 1.930 176.514 174.700 -0.193 0.000 1.147 69 T CA 0.445 62.159 62.100 -0.643 0.000 1.089 69 T CB -0.053 67.972 68.868 -1.405 0.000 0.875 69 T HN 0.438 nan 8.240 nan 0.000 0.541 70 L N 1.150 122.332 121.223 -0.069 0.000 2.313 70 L HA 0.104 4.444 4.340 -0.001 0.000 0.214 70 L C 2.693 179.577 176.870 0.024 0.000 1.119 70 L CA 1.471 56.326 54.840 0.024 0.000 0.809 70 L CB -0.083 41.987 42.059 0.018 0.000 0.933 70 L HN 0.605 nan 8.230 nan 0.000 0.449 71 T N -6.371 108.166 114.554 -0.028 0.000 3.130 71 T HA 0.063 4.412 4.350 -0.001 0.000 0.288 71 T C 0.711 175.344 174.700 -0.111 0.000 0.936 71 T CA -0.431 61.652 62.100 -0.028 0.000 0.897 71 T CB -0.259 68.606 68.868 -0.005 0.000 1.178 71 T HN -0.048 nan 8.240 nan 0.000 0.543 72 N N 4.504 123.052 118.700 -0.254 0.000 2.411 72 N HA 0.070 4.809 4.740 -0.001 0.000 0.282 72 N C -1.017 174.347 175.510 -0.244 0.000 1.322 72 N CA -1.438 51.283 53.050 -0.549 0.000 0.943 72 N CB 1.273 39.410 38.487 -0.585 0.000 1.266 72 N HN 0.221 nan 8.380 nan 0.000 0.486 73 P HA -0.230 nan 4.420 nan 0.000 0.217 73 P C 1.554 178.712 177.300 -0.237 0.000 1.151 73 P CA 0.844 63.938 63.100 -0.011 0.000 0.849 73 P CB 0.399 32.257 31.700 0.264 0.000 0.787 74 L N -0.708 120.223 121.223 -0.487 0.000 2.005 74 L HA -0.063 4.276 4.340 -0.001 0.000 0.207 74 L C 2.614 179.232 176.870 -0.420 0.000 1.072 74 L CA 1.609 55.966 54.840 -0.805 0.000 0.744 74 L CB -1.824 39.760 42.059 -0.791 0.000 0.895 74 L HN -0.180 nan 8.230 nan 0.000 0.433 75 F N -0.188 119.493 119.950 -0.449 0.000 2.154 75 F HA -0.262 4.265 4.527 -0.001 0.000 0.301 75 F C 1.906 177.424 175.800 -0.471 0.000 1.087 75 F CA 1.943 59.560 58.000 -0.638 0.000 1.274 75 F CB -0.444 38.182 39.000 -0.622 0.000 1.009 75 F HN 0.126 nan 8.300 nan 0.000 0.485 76 L N 0.276 121.232 121.223 -0.445 0.000 1.976 76 L HA -0.219 4.121 4.340 -0.001 0.000 0.209 76 L C 2.585 179.244 176.870 -0.351 0.000 1.071 76 L CA 2.016 56.607 54.840 -0.414 0.000 0.746 76 L CB -1.179 40.792 42.059 -0.147 0.000 0.890 76 L HN 0.196 nan 8.230 nan 0.000 0.432 77 E N 0.110 120.163 120.200 -0.245 0.000 2.114 77 E HA -0.284 4.065 4.350 -0.001 0.000 0.199 77 E C 2.068 178.565 176.600 -0.172 0.000 1.008 77 E CA 1.519 57.831 56.400 -0.147 0.000 0.810 77 E CB 0.096 29.738 29.700 -0.096 0.000 0.739 77 E HN 0.384 nan 8.360 nan 0.000 0.456 78 E N 0.112 120.142 120.200 -0.284 0.000 2.031 78 E HA -0.180 4.169 4.350 -0.001 0.000 0.193 78 E C 2.067 178.588 176.600 -0.131 0.000 0.994 78 E CA 1.099 57.374 56.400 -0.210 0.000 0.800 78 E CB -0.464 29.040 29.700 -0.325 0.000 0.752 78 E HN 0.410 nan 8.360 nan 0.000 0.447 79 A N 1.212 123.821 122.820 -0.351 0.000 1.908 79 A HA -0.278 4.041 4.320 -0.001 0.000 0.218 79 A C 2.193 179.734 177.584 -0.071 0.000 1.181 79 A CA 2.095 54.045 52.037 -0.145 0.000 0.627 79 A CB -0.565 18.146 19.000 -0.482 0.000 0.818 79 A HN 0.174 nan 8.150 nan 0.000 0.445 80 Q N 0.021 119.752 119.800 -0.116 0.000 2.030 80 Q HA -0.128 4.212 4.340 -0.001 0.000 0.204 80 Q C 1.882 177.862 176.000 -0.032 0.000 0.986 80 Q CA 1.970 57.737 55.803 -0.060 0.000 0.843 80 Q CB -0.560 28.145 28.738 -0.054 0.000 0.904 80 Q HN 0.668 nan 8.270 nan 0.000 0.420 81 L N -0.374 120.831 121.223 -0.029 0.000 2.081 81 L HA -0.203 4.136 4.340 -0.001 0.000 0.212 81 L C 2.335 179.194 176.870 -0.019 0.000 1.080 81 L CA 1.456 56.287 54.840 -0.014 0.000 0.754 81 L CB -0.483 41.574 42.059 -0.005 0.000 0.893 81 L HN 0.145 nan 8.230 nan 0.000 0.433 82 S N -0.417 115.271 115.700 -0.019 0.000 2.461 82 S HA -0.048 4.421 4.470 -0.001 0.000 0.228 82 S C 1.716 176.291 174.600 -0.041 0.000 1.005 82 S CA 0.512 58.683 58.200 -0.047 0.000 0.942 82 S CB -0.035 63.108 63.200 -0.095 0.000 0.776 82 S HN 0.229 nan 8.310 nan 0.000 0.514 83 L N 2.009 123.219 121.223 -0.022 0.000 2.270 83 L HA 0.177 4.516 4.340 -0.001 0.000 0.210 83 L C 1.449 178.308 176.870 -0.018 0.000 1.104 83 L CA 1.333 56.163 54.840 -0.017 0.000 0.804 83 L CB -0.494 41.559 42.059 -0.010 0.000 0.937 83 L HN 0.105 nan 8.230 nan 0.000 0.450 84 N N 0.280 118.969 118.700 -0.018 0.000 2.220 84 N HA -0.062 4.677 4.740 -0.001 0.000 0.182 84 N C 0.214 175.713 175.510 -0.018 0.000 1.023 84 N CA 1.309 54.350 53.050 -0.015 0.000 0.856 84 N CB -0.211 38.270 38.487 -0.011 0.000 0.997 84 N HN 0.540 nan 8.380 nan 0.000 0.429 85 D N -0.868 119.518 120.400 -0.022 0.000 3.068 85 D HA 0.231 4.870 4.640 -0.001 0.000 0.327 85 D C 0.638 176.917 176.300 -0.036 0.000 1.361 85 D CA -0.827 53.158 54.000 -0.025 0.000 0.877 85 D CB -0.501 40.286 40.800 -0.020 0.000 1.088 85 D HN 0.089 nan 8.370 nan 0.000 0.489 86 G N 1.306 110.082 108.800 -0.040 0.000 2.276 86 G HA2 -0.377 3.582 3.960 -0.001 0.000 0.311 86 G HA3 -0.377 3.582 3.960 -0.001 0.000 0.311 86 G C 0.408 175.268 174.900 -0.066 0.000 0.726 86 G CA 0.402 45.470 45.100 -0.053 0.000 0.792 86 G HN 0.521 nan 8.290 nan 0.000 0.482 87 R N -0.482 119.974 120.500 -0.074 0.000 2.428 87 R HA 0.364 4.704 4.340 -0.001 0.000 0.294 87 R C -0.130 176.092 176.300 -0.131 0.000 1.000 87 R CA -0.502 55.551 56.100 -0.079 0.000 0.960 87 R CB 0.670 30.936 30.300 -0.057 0.000 1.076 87 R HN 0.066 nan 8.270 nan 0.000 0.475 88 T N 4.895 119.372 114.554 -0.129 0.000 2.776 88 T HA 0.171 4.521 4.350 -0.001 0.000 0.292 88 T C 0.998 175.594 174.700 -0.173 0.000 0.921 88 T CA -0.029 61.959 62.100 -0.186 0.000 1.038 88 T CB 0.449 69.245 68.868 -0.119 0.000 0.910 88 T HN 0.517 nan 8.240 nan 0.000 0.536 89 R N 1.775 122.108 120.500 -0.277 0.000 2.175 89 R HA 0.234 4.573 4.340 -0.001 0.000 0.202 89 R C 0.305 176.615 176.300 0.017 0.000 1.018 89 R CA 0.622 56.668 56.100 -0.091 0.000 1.029 89 R CB 0.336 30.660 30.300 0.041 0.000 0.959 89 R HN 0.643 nan 8.270 nan 0.000 0.480 90 F N -2.816 117.153 119.950 0.031 0.000 2.922 90 F HA 0.735 5.261 4.527 -0.001 0.000 0.345 90 F C -0.936 174.952 175.800 0.146 0.000 1.209 90 F CA -1.610 56.427 58.000 0.061 0.000 1.018 90 F CB 1.170 40.195 39.000 0.042 0.000 1.472 90 F HN -0.339 nan 8.300 nan 0.000 0.521 91 V N 1.109 121.318 119.914 0.492 0.000 2.781 91 V HA 0.374 4.493 4.120 -0.001 0.000 0.289 91 V C -1.868 174.504 176.094 0.463 0.000 1.275 91 V CA -0.805 61.763 62.300 0.446 0.000 0.936 91 V CB 1.168 33.151 31.823 0.267 0.000 1.074 91 V HN 0.674 nan 8.190 nan 0.000 0.444 92 F N 6.465 126.612 119.950 0.328 0.000 2.506 92 F HA 0.309 4.835 4.527 -0.001 0.000 0.369 92 F C 1.460 177.389 175.800 0.215 0.000 1.114 92 F CA -0.060 58.097 58.000 0.263 0.000 1.121 92 F CB 0.570 39.694 39.000 0.206 0.000 1.104 92 F HN 0.729 nan 8.300 nan 0.000 0.564 93 D N 0.089 120.698 120.400 0.349 0.000 2.368 93 D HA 0.001 4.640 4.640 -0.001 0.000 0.218 93 D C -0.171 176.241 176.300 0.187 0.000 1.112 93 D CA -0.193 53.955 54.000 0.248 0.000 0.834 93 D CB -0.404 40.536 40.800 0.235 0.000 0.953 93 D HN 0.207 nan 8.370 nan 0.000 0.505 94 D N 1.142 121.668 120.400 0.210 0.000 2.449 94 D HA 0.277 4.916 4.640 -0.001 0.000 0.236 94 D C -0.020 176.333 176.300 0.087 0.000 1.149 94 D CA 0.783 54.870 54.000 0.146 0.000 0.878 94 D CB 0.919 41.837 40.800 0.196 0.000 1.198 94 D HN 0.125 nan 8.370 nan 0.000 0.446 95 D N -0.049 120.361 120.400 0.016 0.000 2.692 95 D HA 0.131 4.771 4.640 -0.001 0.000 0.290 95 D C -1.226 175.071 176.300 -0.005 0.000 1.281 95 D CA -0.611 53.377 54.000 -0.019 0.000 0.804 95 D CB 1.166 41.908 40.800 -0.097 0.000 1.331 95 D HN 0.073 nan 8.370 nan 0.000 0.432 96 N N 1.069 119.774 118.700 0.008 0.000 2.430 96 N HA 0.185 4.925 4.740 -0.001 0.000 0.265 96 N C -0.342 175.181 175.510 0.021 0.000 1.100 96 N CA -0.009 53.092 53.050 0.084 0.000 0.961 96 N CB 0.186 38.697 38.487 0.040 0.000 1.075 96 N HN 0.191 nan 8.380 nan 0.000 0.478 97 F N 1.734 121.604 119.950 -0.133 0.000 2.578 97 F HA 0.124 4.650 4.527 -0.001 0.000 0.376 97 F C 1.355 176.916 175.800 -0.398 0.000 1.085 97 F CA -0.033 57.773 58.000 -0.323 0.000 1.260 97 F CB 0.290 38.931 39.000 -0.599 0.000 1.095 97 F HN 0.230 nan 8.300 nan 0.000 0.573 98 I N 5.396 125.835 120.570 -0.217 0.000 2.291 98 I HA 0.097 4.266 4.170 -0.001 0.000 0.292 98 I C -0.686 175.313 176.117 -0.196 0.000 1.064 98 I CA -0.495 60.716 61.300 -0.150 0.000 1.269 98 I CB 0.138 38.069 38.000 -0.115 0.000 1.418 98 I HN 0.455 nan 8.210 nan 0.000 0.485 99 Y N 6.969 127.332 120.300 0.105 0.000 2.336 99 Y HA 0.429 4.979 4.550 -0.001 0.000 0.335 99 Y C 0.357 176.293 175.900 0.060 0.000 1.046 99 Y CA -0.324 57.836 58.100 0.100 0.000 1.198 99 Y CB 0.865 39.377 38.460 0.087 0.000 1.182 99 Y HN 0.364 nan 8.280 nan 0.000 0.502 100 I N 3.410 124.112 120.570 0.220 0.000 2.418 100 I HA 0.221 4.390 4.170 -0.001 0.000 0.287 100 I C -0.916 175.331 176.117 0.217 0.000 1.008 100 I CA -0.687 60.708 61.300 0.158 0.000 1.104 100 I CB 1.802 39.863 38.000 0.102 0.000 1.264 100 I HN 0.565 nan 8.210 nan 0.000 0.438 101 D N 3.863 124.336 120.400 0.121 0.000 2.181 101 D HA 0.143 4.782 4.640 -0.001 0.000 0.248 101 D C 1.003 177.269 176.300 -0.056 0.000 1.020 101 D CA -0.377 53.675 54.000 0.088 0.000 0.891 101 D CB 1.815 42.639 40.800 0.040 0.000 1.187 101 D HN 0.611 nan 8.370 nan 0.000 0.443 102 E N 1.643 121.612 120.200 -0.385 0.000 2.049 102 E HA -0.267 4.082 4.350 -0.001 0.000 0.198 102 E C 1.006 177.427 176.600 -0.298 0.000 1.007 102 E CA 1.691 57.685 56.400 -0.677 0.000 0.809 102 E CB 0.214 29.058 29.700 -1.427 0.000 0.749 102 E HN 0.632 nan 8.360 nan 0.000 0.450 103 E N -0.202 119.870 120.200 -0.214 0.000 2.014 103 E HA -0.128 4.221 4.350 -0.001 0.000 0.190 103 E C 2.329 178.890 176.600 -0.064 0.000 0.980 103 E CA 0.651 56.984 56.400 -0.111 0.000 0.807 103 E CB -0.187 29.475 29.700 -0.062 0.000 0.770 103 E HN 0.066 nan 8.360 nan 0.000 0.451 104 R N 0.614 121.083 120.500 -0.053 0.000 2.316 104 R HA -0.041 4.298 4.340 -0.001 0.000 0.202 104 R C 0.953 177.212 176.300 -0.069 0.000 1.029 104 R CA 0.833 56.889 56.100 -0.074 0.000 1.018 104 R CB -0.272 29.930 30.300 -0.162 0.000 0.888 104 R HN 0.322 nan 8.270 nan 0.000 0.471 105 G N 0.697 109.467 108.800 -0.049 0.000 2.556 105 G HA2 -0.380 3.579 3.960 -0.001 0.000 0.283 105 G HA3 -0.380 3.579 3.960 -0.001 0.000 0.283 105 G C -0.745 174.151 174.900 -0.007 0.000 1.177 105 G CA 0.174 45.265 45.100 -0.016 0.000 0.978 105 G HN 0.405 nan 8.290 nan 0.000 0.554 106 R N 0.393 120.894 120.500 0.001 0.000 2.491 106 R HA 0.399 4.739 4.340 -0.001 0.000 0.283 106 R C 1.068 177.370 176.300 0.003 0.000 1.072 106 R CA 0.561 56.674 56.100 0.022 0.000 1.048 106 R CB 1.022 31.337 30.300 0.026 0.000 0.983 106 R HN 1.216 nan 8.270 nan 0.000 0.450 107 V N -1.944 117.993 119.914 0.039 0.000 3.329 107 V HA 0.092 4.212 4.120 -0.001 0.000 0.317 107 V C -0.069 176.077 176.094 0.087 0.000 1.495 107 V CA -0.577 61.717 62.300 -0.010 0.000 1.105 107 V CB 0.176 31.904 31.823 -0.158 0.000 0.985 107 V HN 0.692 nan 8.190 nan 0.000 0.475 108 D N -0.052 120.465 120.400 0.196 0.000 2.339 108 D HA 0.087 4.726 4.640 -0.001 0.000 0.245 108 D C 0.647 177.097 176.300 0.249 0.000 1.115 108 D CA 0.015 54.195 54.000 0.301 0.000 0.917 108 D CB 0.289 41.282 40.800 0.323 0.000 1.192 108 D HN 0.372 nan 8.370 nan 0.000 0.428 109 H N -0.362 118.780 119.070 0.120 0.000 2.690 109 H HA -0.201 4.355 4.556 -0.001 0.000 0.309 109 H C -0.733 174.625 175.328 0.051 0.000 1.138 109 H CA 0.805 56.900 56.048 0.078 0.000 1.142 109 H CB -0.634 29.171 29.762 0.073 0.000 1.410 109 H HN 0.530 nan 8.280 nan 0.000 0.409 110 D N 1.231 121.655 120.400 0.039 0.000 2.317 110 D HA 0.017 4.656 4.640 -0.001 0.000 0.252 110 D C 1.466 177.750 176.300 -0.027 0.000 1.174 110 D CA 0.171 54.178 54.000 0.012 0.000 0.866 110 D CB 0.694 41.494 40.800 -0.000 0.000 1.127 110 D HN 0.633 nan 8.370 nan 0.000 0.467 111 K N 2.696 123.087 120.400 -0.014 0.000 2.280 111 K HA -0.163 4.156 4.320 -0.001 0.000 0.202 111 K C 1.175 177.768 176.600 -0.012 0.000 1.047 111 K CA 1.167 57.441 56.287 -0.021 0.000 0.942 111 K CB 0.331 32.831 32.500 0.000 0.000 0.739 111 K HN 0.352 nan 8.250 nan 0.000 0.457 112 E N 0.463 120.661 120.200 -0.004 0.000 2.206 112 E HA 0.151 4.500 4.350 -0.001 0.000 0.195 112 E C 1.942 178.549 176.600 0.011 0.000 0.935 112 E CA -0.032 56.371 56.400 0.006 0.000 0.875 112 E CB 0.248 29.954 29.700 0.010 0.000 0.841 112 E HN 0.170 nan 8.360 nan 0.000 0.477 113 L N 0.584 121.809 121.223 0.004 0.000 2.072 113 L HA -0.009 4.330 4.340 -0.001 0.000 0.205 113 L C 0.952 177.831 176.870 0.016 0.000 1.079 113 L CA 0.574 55.423 54.840 0.015 0.000 0.752 113 L CB -0.230 41.820 42.059 -0.014 0.000 0.906 113 L HN 0.244 nan 8.230 nan 0.000 0.436 114 L N -0.431 120.788 121.223 -0.006 0.000 3.905 114 L HA -0.310 4.029 4.340 -0.001 0.000 0.437 114 L C 1.596 178.467 176.870 0.002 0.000 1.152 114 L CA -0.159 54.672 54.840 -0.015 0.000 0.935 114 L CB -1.840 40.213 42.059 -0.010 0.000 1.841 114 L HN 0.337 nan 8.230 nan 0.000 0.998 115 L N -0.509 120.714 121.223 -0.000 0.000 2.021 115 L HA -0.270 4.070 4.340 -0.001 0.000 0.215 115 L C 2.363 179.220 176.870 -0.021 0.000 1.074 115 L CA 2.195 57.029 54.840 -0.010 0.000 0.760 115 L CB -0.321 41.702 42.059 -0.059 0.000 0.889 115 L HN 0.361 nan 8.230 nan 0.000 0.433 116 E N 0.180 120.368 120.200 -0.020 0.000 2.160 116 E HA -0.198 4.151 4.350 -0.001 0.000 0.195 116 E C 2.132 178.747 176.600 0.024 0.000 0.991 116 E CA 1.202 57.603 56.400 0.002 0.000 0.810 116 E CB -0.243 29.487 29.700 0.051 0.000 0.742 116 E HN 0.476 nan 8.360 nan 0.000 0.466 117 I N 0.162 120.746 120.570 0.022 0.000 2.233 117 I HA -0.217 3.953 4.170 -0.001 0.000 0.243 117 I C 2.192 178.339 176.117 0.050 0.000 1.093 117 I CA 0.919 62.239 61.300 0.033 0.000 1.380 117 I CB -0.305 37.708 38.000 0.021 0.000 1.067 117 I HN 0.083 nan 8.210 nan 0.000 0.413 118 V N -1.335 118.614 119.914 0.059 0.000 2.594 118 V HA -0.262 3.857 4.120 -0.001 0.000 0.253 118 V C 1.996 178.110 176.094 0.033 0.000 1.069 118 V CA 2.186 64.542 62.300 0.093 0.000 1.082 118 V CB -0.977 30.928 31.823 0.137 0.000 0.680 118 V HN 0.419 nan 8.190 nan 0.000 0.469 119 D N 1.215 121.628 120.400 0.021 0.000 2.144 119 D HA -0.247 4.392 4.640 -0.001 0.000 0.200 119 D C 2.124 178.458 176.300 0.056 0.000 0.978 119 D CA 1.619 55.634 54.000 0.024 0.000 0.833 119 D CB -0.381 40.456 40.800 0.061 0.000 0.961 119 D HN 0.523 nan 8.370 nan 0.000 0.470 120 N N 0.605 119.343 118.700 0.063 0.000 2.084 120 N HA -0.240 4.500 4.740 -0.001 0.000 0.190 120 N C 1.793 177.334 175.510 0.052 0.000 1.030 120 N CA 1.397 54.492 53.050 0.076 0.000 0.849 120 N CB -0.255 38.273 38.487 0.069 0.000 1.012 120 N HN 0.414 nan 8.380 nan 0.000 0.423 121 E N -0.008 120.224 120.200 0.053 0.000 2.085 121 E HA -0.168 4.182 4.350 -0.001 0.000 0.194 121 E C 1.943 178.573 176.600 0.050 0.000 0.994 121 E CA 0.801 57.253 56.400 0.087 0.000 0.801 121 E CB -0.135 29.658 29.700 0.155 0.000 0.743 121 E HN 0.280 nan 8.360 nan 0.000 0.453 122 M N 0.626 120.132 119.600 -0.157 0.000 2.700 122 M HA -0.066 4.413 4.480 -0.001 0.000 0.249 122 M C 1.222 177.371 176.300 -0.252 0.000 1.082 122 M CA 1.015 55.990 55.300 -0.541 0.000 1.077 122 M CB -0.175 31.859 32.600 -0.943 0.000 1.477 122 M HN 0.063 nan 8.290 nan 0.000 0.529 123 S N -0.539 115.058 115.700 -0.172 0.000 2.468 123 S HA 0.018 4.487 4.470 -0.001 0.000 0.226 123 S C 1.668 176.090 174.600 -0.297 0.000 1.051 123 S CA 0.296 58.230 58.200 -0.443 0.000 0.943 123 S CB 0.195 63.360 63.200 -0.058 0.000 0.810 123 S HN 0.271 nan 8.310 nan 0.000 0.509 124 K N 1.774 122.129 120.400 -0.075 0.000 2.103 124 K HA 0.154 4.474 4.320 -0.001 0.000 0.204 124 K C 1.568 178.166 176.600 -0.002 0.000 1.052 124 K CA 0.737 57.015 56.287 -0.015 0.000 0.945 124 K CB -0.640 31.884 32.500 0.042 0.000 0.722 124 K HN 0.308 nan 8.250 nan 0.000 0.443 125 F N 0.748 120.661 119.950 -0.063 0.000 2.091 125 F HA -0.254 4.272 4.527 -0.001 0.000 0.299 125 F C 1.830 177.560 175.800 -0.117 0.000 1.103 125 F CA 1.945 59.938 58.000 -0.011 0.000 1.228 125 F CB -0.610 38.488 39.000 0.163 0.000 0.984 125 F HN 0.047 nan 8.300 nan 0.000 0.477 126 A N -0.310 122.396 122.820 -0.190 0.000 1.933 126 A HA -0.214 4.105 4.320 -0.001 0.000 0.218 126 A C 2.253 179.644 177.584 -0.323 0.000 1.175 126 A CA 1.671 53.477 52.037 -0.385 0.000 0.628 126 A CB -1.009 17.813 19.000 -0.298 0.000 0.814 126 A HN 0.612 nan 8.150 nan 0.000 0.444 127 E N -0.084 120.013 120.200 -0.172 0.000 2.051 127 E HA -0.168 4.181 4.350 -0.001 0.000 0.192 127 E C 1.942 178.561 176.600 0.033 0.000 0.991 127 E CA 1.218 57.619 56.400 0.001 0.000 0.799 127 E CB -0.189 29.526 29.700 0.024 0.000 0.748 127 E HN 0.635 nan 8.360 nan 0.000 0.449 128 L N 0.438 121.605 121.223 -0.093 0.000 2.056 128 L HA -0.144 4.196 4.340 -0.001 0.000 0.207 128 L C 2.640 179.391 176.870 -0.198 0.000 1.078 128 L CA 1.139 55.920 54.840 -0.098 0.000 0.749 128 L CB -0.384 41.592 42.059 -0.140 0.000 0.901 128 L HN 0.175 nan 8.230 nan 0.000 0.433 129 E N 0.757 120.687 120.200 -0.450 0.000 2.097 129 E HA -0.184 4.165 4.350 -0.001 0.000 0.196 129 E C 0.520 176.998 176.600 -0.204 0.000 1.000 129 E CA 1.299 57.393 56.400 -0.510 0.000 0.804 129 E CB -0.119 29.038 29.700 -0.904 0.000 0.740 129 E HN 0.382 nan 8.360 nan 0.000 0.454 130 F N 0.046 119.944 119.950 -0.086 0.000 2.467 130 F HA 0.235 4.761 4.527 -0.001 0.000 0.349 130 F C 0.569 176.205 175.800 -0.273 0.000 1.182 130 F CA -0.331 57.594 58.000 -0.125 0.000 1.279 130 F CB 0.437 39.340 39.000 -0.162 0.000 1.626 130 F HN 0.178 nan 8.300 nan 0.000 0.596 131 H N -0.045 119.108 119.070 0.139 0.000 1.807 131 H HA -0.062 4.494 4.556 -0.001 0.000 0.116 131 H C 0.704 176.030 175.328 -0.002 0.000 0.959 131 H CA 0.127 56.209 56.048 0.056 0.000 0.421 131 H CB 0.038 29.814 29.762 0.023 0.000 0.324 131 H HN 0.435 nan 8.280 nan 0.000 0.217 132 Q N 0.256 120.081 119.800 0.041 0.000 2.188 132 Q HA 0.163 4.502 4.340 -0.001 0.000 0.212 132 Q C 0.686 176.534 176.000 -0.254 0.000 0.846 132 Q CA 0.058 55.790 55.803 -0.118 0.000 0.989 132 Q CB 0.907 29.515 28.738 -0.216 0.000 1.114 132 Q HN 0.354 nan 8.270 nan 0.000 0.488 133 H N -1.154 117.942 119.070 0.042 0.000 3.266 133 H HA 0.190 4.745 4.556 -0.001 0.000 0.246 133 H C 1.434 176.793 175.328 0.053 0.000 0.998 133 H CA 0.330 56.405 56.048 0.044 0.000 1.152 133 H CB 1.049 30.849 29.762 0.062 0.000 1.466 133 H HN 0.133 nan 8.280 nan 0.000 0.481 134 L N -0.567 120.760 121.223 0.172 0.000 3.911 134 L HA -0.341 3.999 4.340 -0.001 0.000 0.053 134 L C 1.964 178.886 176.870 0.088 0.000 4.160 134 L CA 1.796 56.701 54.840 0.109 0.000 0.837 134 L CB -1.430 40.678 42.059 0.082 0.000 3.418 134 L HN 0.469 nan 8.230 nan 0.000 0.897 135 G N -0.981 107.867 108.800 0.079 0.000 2.470 135 G HA2 0.200 4.160 3.960 -0.001 0.000 0.220 135 G HA3 0.200 4.160 3.960 -0.001 0.000 0.220 135 G C 0.809 175.737 174.900 0.046 0.000 1.121 135 G CA 1.578 46.709 45.100 0.051 0.000 0.766 135 G HN 0.740 nan 8.290 nan 0.000 0.553 136 V N -0.600 119.362 119.914 0.080 0.000 0.691 136 V HA -0.293 3.827 4.120 -0.001 0.000 0.092 136 V C 1.643 177.746 176.094 0.014 0.000 0.771 136 V CA 2.665 65.006 62.300 0.068 0.000 3.097 136 V CB -1.700 30.144 31.823 0.035 0.000 0.183 136 V HN 1.302 nan 8.190 nan 0.000 0.069 137 S N -3.581 112.129 115.700 0.016 0.000 4.738 137 S HA 0.265 4.735 4.470 -0.001 0.000 0.176 137 S C 0.241 174.853 174.600 0.019 0.000 1.108 137 S CA 0.765 58.969 58.200 0.006 0.000 1.277 137 S CB 1.529 64.720 63.200 -0.016 0.000 1.680 137 S HN 1.193 nan 8.310 nan 0.000 0.502 138 D N -0.358 120.065 120.400 0.038 0.000 4.851 138 D HA 0.040 4.679 4.640 -0.001 0.000 0.193 138 D C -0.837 175.517 176.300 0.091 0.000 1.848 138 D CA 0.686 54.713 54.000 0.045 0.000 0.624 138 D CB 0.407 41.232 40.800 0.042 0.000 3.118 138 D HN 1.172 nan 8.370 nan 0.000 0.300 139 C N 2.041 121.397 119.300 0.093 0.000 0.923 139 C HA 0.062 4.521 4.460 -0.001 0.000 0.148 139 C C 0.381 175.470 174.990 0.166 0.000 0.362 139 C CA 0.356 59.452 59.018 0.130 0.000 2.023 139 C CB -2.039 25.815 27.740 0.190 0.000 2.784 139 C HN 0.540 nan 8.230 nan 0.000 0.900 140 S N 6.048 121.832 115.700 0.140 0.000 2.617 140 S HA 0.515 4.985 4.470 -0.001 0.000 0.269 140 S C 0.791 175.553 174.600 0.270 0.000 1.292 140 S CA 0.120 58.427 58.200 0.178 0.000 1.010 140 S CB 0.848 64.126 63.200 0.130 0.000 0.944 140 S HN 1.533 nan 8.310 nan 0.000 0.536 141 F N 1.516 121.565 119.950 0.166 0.000 2.154 141 F HA -0.140 4.386 4.527 -0.001 0.000 0.301 141 F C 1.834 177.786 175.800 0.254 0.000 1.087 141 F CA 1.652 59.790 58.000 0.229 0.000 1.274 141 F CB -0.242 38.902 39.000 0.240 0.000 1.009 141 F HN 0.750 nan 8.300 nan 0.000 0.485 142 F N 1.745 121.643 119.950 -0.086 0.000 2.043 142 F HA -0.313 4.213 4.527 -0.001 0.000 0.297 142 F C 2.504 178.088 175.800 -0.359 0.000 1.121 142 F CA 2.354 60.008 58.000 -0.576 0.000 1.199 142 F CB -1.244 37.206 39.000 -0.916 0.000 0.968 142 F HN 0.044 nan 8.300 nan 0.000 0.478 143 Q N 0.364 119.899 119.800 -0.442 0.000 2.152 143 Q HA -0.214 4.125 4.340 -0.001 0.000 0.206 143 Q C 2.098 177.946 176.000 -0.254 0.000 0.985 143 Q CA 2.025 57.575 55.803 -0.423 0.000 0.863 143 Q CB -0.839 27.828 28.738 -0.119 0.000 0.904 143 Q HN 0.569 nan 8.270 nan 0.000 0.422 144 L N -0.873 120.308 121.223 -0.069 0.000 2.012 144 L HA -0.140 4.199 4.340 -0.001 0.000 0.210 144 L C 2.049 178.934 176.870 0.024 0.000 1.073 144 L CA 1.639 56.527 54.840 0.081 0.000 0.748 144 L CB -0.752 41.492 42.059 0.308 0.000 0.891 144 L HN 0.150 nan 8.230 nan 0.000 0.431 145 V N -0.467 119.360 119.914 -0.145 0.000 2.490 145 V HA -0.293 3.827 4.120 -0.001 0.000 0.250 145 V C 2.577 178.628 176.094 -0.071 0.000 1.061 145 V CA 1.701 63.943 62.300 -0.097 0.000 1.064 145 V CB -0.671 31.077 31.823 -0.125 0.000 0.670 145 V HN 0.422 nan 8.190 nan 0.000 0.461 146 M N -0.487 118.952 119.600 -0.267 0.000 2.156 146 M HA -0.103 4.376 4.480 -0.001 0.000 0.264 146 M C 2.162 178.358 176.300 -0.173 0.000 1.067 146 M CA 1.576 56.719 55.300 -0.262 0.000 1.131 146 M CB -1.045 31.252 32.600 -0.505 0.000 1.368 146 M HN 0.299 nan 8.290 nan 0.000 0.416 147 K N -0.627 119.698 120.400 -0.125 0.000 2.032 147 K HA -0.218 4.101 4.320 -0.001 0.000 0.209 147 K C 2.072 178.557 176.600 -0.191 0.000 1.048 147 K CA 1.660 57.914 56.287 -0.055 0.000 0.927 147 K CB -0.506 32.066 32.500 0.119 0.000 0.712 147 K HN 0.228 nan 8.250 nan 0.000 0.441 148 Y N 1.989 122.027 120.300 -0.438 0.000 2.053 148 Y HA -0.272 4.278 4.550 -0.001 0.000 0.277 148 Y C 1.915 177.516 175.900 -0.498 0.000 1.159 148 Y CA 1.598 59.164 58.100 -0.888 0.000 1.125 148 Y CB -0.500 37.573 38.460 -0.645 0.000 0.969 148 Y HN -0.054 nan 8.280 nan 0.000 0.492 149 L N -0.375 120.683 121.223 -0.275 0.000 2.043 149 L HA -0.281 4.058 4.340 -0.001 0.000 0.212 149 L C 2.649 179.320 176.870 -0.333 0.000 1.075 149 L CA 1.501 56.185 54.840 -0.258 0.000 0.752 149 L CB -0.724 41.319 42.059 -0.027 0.000 0.891 149 L HN 0.360 nan 8.230 nan 0.000 0.432 150 L N -0.692 120.360 121.223 -0.285 0.000 2.027 150 L HA -0.243 4.096 4.340 -0.001 0.000 0.206 150 L C 2.744 179.444 176.870 -0.283 0.000 1.074 150 L CA 1.336 56.026 54.840 -0.250 0.000 0.745 150 L CB -0.254 41.692 42.059 -0.188 0.000 0.898 150 L HN 0.370 nan 8.230 nan 0.000 0.433 151 Q N -0.299 119.313 119.800 -0.313 0.000 2.226 151 Q HA -0.155 4.185 4.340 -0.001 0.000 0.204 151 Q C 0.895 176.680 176.000 -0.358 0.000 0.975 151 Q CA 1.024 56.666 55.803 -0.269 0.000 0.866 151 Q CB 0.340 28.978 28.738 -0.167 0.000 0.915 151 Q HN 0.311 nan 8.270 nan 0.000 0.440 152 R N 0.032 120.224 120.500 -0.513 0.000 2.662 152 R HA 0.114 4.453 4.340 -0.001 0.000 0.396 152 R C 1.265 177.306 176.300 -0.432 0.000 1.096 152 R CA -0.057 55.762 56.100 -0.469 0.000 1.081 152 R CB 0.206 30.196 30.300 -0.518 0.000 1.382 152 R HN 0.311 nan 8.270 nan 0.000 0.580 153 R N 0.705 120.963 120.500 -0.404 0.000 2.120 153 R HA -0.146 4.193 4.340 -0.001 0.000 0.234 153 R C 1.533 177.647 176.300 -0.310 0.000 1.123 153 R CA 1.344 57.268 56.100 -0.294 0.000 0.975 153 R CB -0.253 29.895 30.300 -0.252 0.000 0.866 153 R HN 0.235 nan 8.270 nan 0.000 0.446 154 Q N 0.581 120.060 119.800 -0.534 0.000 2.364 154 Q HA -0.060 4.280 4.340 -0.001 0.000 0.207 154 Q C 0.347 176.135 176.000 -0.354 0.000 0.970 154 Q CA 1.078 56.549 55.803 -0.552 0.000 0.888 154 Q CB 0.043 28.268 28.738 -0.856 0.000 0.951 154 Q HN 0.576 nan 8.270 nan 0.000 0.469 155 F N 0.410 120.313 119.950 -0.079 0.000 2.708 155 F HA 0.364 4.890 4.527 -0.001 0.000 0.300 155 F C -0.382 175.394 175.800 -0.041 0.000 1.118 155 F CA -0.736 57.231 58.000 -0.054 0.000 1.307 155 F CB 0.731 39.696 39.000 -0.058 0.000 0.986 155 F HN -0.102 nan 8.300 nan 0.000 0.522 156 L N 0.443 121.706 121.223 0.066 0.000 2.388 156 L HA 0.478 4.818 4.340 -0.001 0.000 0.264 156 L C 0.257 177.150 176.870 0.038 0.000 0.998 156 L CA -0.999 53.875 54.840 0.056 0.000 0.817 156 L CB 2.459 44.530 42.059 0.020 0.000 1.338 156 L HN 0.026 nan 8.230 nan 0.000 0.414 157 T N -2.553 112.035 114.554 0.057 0.000 2.849 157 T HA 0.177 4.527 4.350 -0.001 0.000 0.284 157 T C 0.871 175.601 174.700 0.050 0.000 1.004 157 T CA -0.552 61.578 62.100 0.049 0.000 1.021 157 T CB 1.019 69.923 68.868 0.059 0.000 1.013 157 T HN 0.497 nan 8.240 nan 0.000 0.527 158 N N 1.061 119.786 118.700 0.041 0.000 2.069 158 N HA -0.107 4.632 4.740 -0.001 0.000 0.191 158 N C 1.361 176.916 175.510 0.075 0.000 1.031 158 N CA 1.507 54.581 53.050 0.040 0.000 0.852 158 N CB -0.553 37.952 38.487 0.030 0.000 1.018 158 N HN 0.663 nan 8.380 nan 0.000 0.423 159 D N 0.443 120.910 120.400 0.112 0.000 2.178 159 D HA -0.080 4.560 4.640 -0.001 0.000 0.202 159 D C 1.883 178.324 176.300 0.236 0.000 0.974 159 D CA 0.667 54.790 54.000 0.205 0.000 0.841 159 D CB -0.163 40.783 40.800 0.244 0.000 0.953 159 D HN 0.430 nan 8.370 nan 0.000 0.478 160 Q N -0.028 119.868 119.800 0.159 0.000 2.079 160 Q HA -0.041 4.298 4.340 -0.001 0.000 0.200 160 Q C 2.375 178.466 176.000 0.151 0.000 0.974 160 Q CA 0.735 56.629 55.803 0.153 0.000 0.840 160 Q CB 0.035 28.844 28.738 0.119 0.000 0.898 160 Q HN 0.351 nan 8.270 nan 0.000 0.430 161 I N 0.391 121.039 120.570 0.129 0.000 2.361 161 I HA -0.278 3.891 4.170 -0.001 0.000 0.251 161 I C 2.610 178.855 176.117 0.213 0.000 1.133 161 I CA 1.018 62.412 61.300 0.157 0.000 1.413 161 I CB -0.302 37.754 38.000 0.092 0.000 1.073 161 I HN 0.179 nan 8.210 nan 0.000 0.424 162 R N 0.868 121.428 120.500 0.101 0.000 2.070 162 R HA -0.177 4.162 4.340 -0.001 0.000 0.227 162 R C 2.447 178.595 176.300 -0.254 0.000 1.147 162 R CA 1.884 57.930 56.100 -0.089 0.000 0.924 162 R CB -0.453 29.630 30.300 -0.362 0.000 0.827 162 R HN 0.206 nan 8.270 nan 0.000 0.431 163 Y N 0.511 120.827 120.300 0.028 0.000 2.286 163 Y HA -0.123 4.427 4.550 -0.001 0.000 0.293 163 Y C 2.117 177.994 175.900 -0.039 0.000 1.124 163 Y CA 0.582 58.672 58.100 -0.018 0.000 1.178 163 Y CB -0.321 38.130 38.460 -0.014 0.000 1.010 163 Y HN 0.165 nan 8.280 nan 0.000 0.536 164 L N 2.178 123.476 121.223 0.124 0.000 2.021 164 L HA -0.166 4.173 4.340 -0.001 0.000 0.215 164 L C -0.596 176.280 176.870 0.009 0.000 1.074 164 L CA 2.083 56.960 54.840 0.062 0.000 0.760 164 L CB -1.650 40.471 42.059 0.103 0.000 0.889 164 L HN 0.034 nan 8.230 nan 0.000 0.433 165 P HA -0.159 nan 4.420 nan 0.000 0.223 165 P C 1.073 178.222 177.300 -0.251 0.000 1.151 165 P CA 1.179 64.263 63.100 -0.027 0.000 0.787 165 P CB 0.012 31.775 31.700 0.105 0.000 0.788 166 Q N -0.493 119.195 119.800 -0.186 0.000 2.250 166 Q HA 0.061 4.400 4.340 -0.001 0.000 0.200 166 Q C 2.320 178.236 176.000 -0.141 0.000 0.941 166 Q CA 0.527 56.201 55.803 -0.215 0.000 0.872 166 Q CB -1.015 27.677 28.738 -0.076 0.000 0.965 166 Q HN 0.300 nan 8.270 nan 0.000 0.480 167 L N -0.146 121.023 121.223 -0.089 0.000 2.056 167 L HA -0.167 4.172 4.340 -0.001 0.000 0.207 167 L C 2.232 179.105 176.870 0.005 0.000 1.078 167 L CA 1.054 55.826 54.840 -0.113 0.000 0.749 167 L CB -0.306 41.580 42.059 -0.288 0.000 0.901 167 L HN 0.164 nan 8.230 nan 0.000 0.433 168 C N 0.409 119.681 119.300 -0.047 0.000 2.375 168 C HA -0.254 4.205 4.460 -0.001 0.000 0.274 168 C C 2.614 177.469 174.990 -0.225 0.000 1.190 168 C CA 1.369 60.351 59.018 -0.059 0.000 1.775 168 C CB -1.281 26.447 27.740 -0.019 0.000 2.067 168 C HN 0.495 nan 8.230 nan 0.000 0.463 169 R N 0.418 120.785 120.500 -0.221 0.000 2.417 169 R HA -0.176 4.163 4.340 -0.001 0.000 0.220 169 R C 1.612 177.819 176.300 -0.155 0.000 1.128 169 R CA 1.375 57.334 56.100 -0.235 0.000 1.048 169 R CB -0.613 29.380 30.300 -0.513 0.000 0.835 169 R HN 0.935 nan 8.270 nan 0.000 0.483 170 Y N -1.462 118.821 120.300 -0.030 0.000 2.403 170 Y HA -0.072 4.477 4.550 -0.001 0.000 0.291 170 Y C 1.551 177.425 175.900 -0.042 0.000 1.143 170 Y CA 0.566 58.652 58.100 -0.024 0.000 1.257 170 Y CB -0.522 37.909 38.460 -0.048 0.000 0.984 170 Y HN -0.037 nan 8.280 nan 0.000 0.550 171 L N 0.549 121.302 121.223 -0.783 0.000 2.362 171 L HA -0.109 4.231 4.340 -0.001 0.000 0.219 171 L C 2.221 179.010 176.870 -0.135 0.000 1.134 171 L CA 1.123 55.621 54.840 -0.570 0.000 0.807 171 L CB -0.404 41.058 42.059 -0.995 0.000 0.927 171 L HN 0.297 nan 8.230 nan 0.000 0.447 172 E N -0.322 119.844 120.200 -0.056 0.000 2.265 172 E HA -0.182 4.168 4.350 -0.001 0.000 0.196 172 E C 1.772 178.447 176.600 0.125 0.000 0.996 172 E CA 0.638 57.089 56.400 0.085 0.000 0.832 172 E CB 0.124 29.868 29.700 0.074 0.000 0.756 172 E HN 0.347 nan 8.360 nan 0.000 0.491 173 L N -1.230 120.041 121.223 0.078 0.000 2.418 173 L HA -0.045 4.294 4.340 -0.001 0.000 0.218 173 L C 1.452 178.335 176.870 0.021 0.000 1.125 173 L CA 0.977 55.852 54.840 0.058 0.000 0.835 173 L CB -0.939 41.119 42.059 -0.002 0.000 0.953 173 L HN 0.302 nan 8.230 nan 0.000 0.454 174 W N -0.684 120.579 121.300 -0.062 0.000 2.576 174 W HA -0.027 4.633 4.660 -0.001 0.000 0.270 174 W C 2.617 179.128 176.519 -0.013 0.000 1.255 174 W CA 0.644 57.936 57.345 -0.088 0.000 1.314 174 W CB 0.115 29.425 29.460 -0.250 0.000 1.101 174 W HN 0.218 nan 8.180 nan 0.000 0.595 175 H N -2.129 117.147 119.070 0.342 0.000 2.506 175 H HA 0.232 4.787 4.556 -0.001 0.000 0.289 175 H C 2.005 177.417 175.328 0.141 0.000 1.009 175 H CA 1.375 57.601 56.048 0.297 0.000 1.303 175 H CB 0.295 30.159 29.762 0.171 0.000 1.453 175 H HN 0.096 nan 8.280 nan 0.000 0.526 176 G N 0.821 109.754 108.800 0.222 0.000 2.131 176 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.223 176 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.223 176 G C -0.241 174.718 174.900 0.098 0.000 0.990 176 G CA -0.008 45.142 45.100 0.083 0.000 0.671 176 G HN 0.113 nan 8.290 nan 0.000 0.521 177 L N 0.607 121.923 121.223 0.155 0.000 2.388 177 L HA 0.535 4.874 4.340 -0.001 0.000 0.264 177 L C 0.173 177.132 176.870 0.147 0.000 0.998 177 L CA -0.885 54.036 54.840 0.135 0.000 0.817 177 L CB 1.586 43.731 42.059 0.142 0.000 1.338 177 L HN 0.279 nan 8.230 nan 0.000 0.414 178 D N 1.399 121.879 120.400 0.133 0.000 2.362 178 D HA -0.070 4.569 4.640 -0.001 0.000 0.238 178 D C 0.699 177.201 176.300 0.337 0.000 1.212 178 D CA -0.179 53.949 54.000 0.212 0.000 0.902 178 D CB 1.272 42.173 40.800 0.169 0.000 1.180 178 D HN 0.549 nan 8.370 nan 0.000 0.445 179 W N 2.947 124.315 121.300 0.113 0.000 2.595 179 W HA 0.048 4.707 4.660 -0.001 0.000 0.257 179 W C 1.091 177.718 176.519 0.180 0.000 1.267 179 W CA 0.032 57.513 57.345 0.226 0.000 1.300 179 W CB -0.892 28.733 29.460 0.275 0.000 1.120 179 W HN 0.353 nan 8.180 nan 0.000 0.618 180 K N 0.556 121.011 120.400 0.092 0.000 2.426 180 K HA 0.153 4.472 4.320 -0.001 0.000 0.193 180 K C 1.664 178.237 176.600 -0.046 0.000 1.028 180 K CA 0.384 56.620 56.287 -0.086 0.000 1.047 180 K CB 0.086 32.407 32.500 -0.299 0.000 0.821 180 K HN 0.205 nan 8.250 nan 0.000 0.513 181 L N 0.538 121.742 121.223 -0.032 0.000 2.664 181 L HA 0.195 4.535 4.340 -0.001 0.000 0.233 181 L C 0.118 176.927 176.870 -0.100 0.000 1.113 181 L CA -0.297 54.427 54.840 -0.193 0.000 0.896 181 L CB 0.356 42.240 42.059 -0.292 0.000 1.163 181 L HN 0.064 nan 8.230 nan 0.000 0.497 182 L N -0.313 120.950 121.223 0.067 0.000 2.322 182 L HA 0.395 4.734 4.340 -0.001 0.000 0.279 182 L C 0.463 177.397 176.870 0.107 0.000 1.036 182 L CA 0.013 54.899 54.840 0.077 0.000 0.807 182 L CB 1.757 43.839 42.059 0.037 0.000 1.226 182 L HN -0.127 nan 8.230 nan 0.000 0.433 183 S N 3.357 119.095 115.700 0.063 0.000 2.549 183 S HA 0.439 4.908 4.470 -0.001 0.000 0.279 183 S C 1.227 175.883 174.600 0.094 0.000 1.321 183 S CA 0.056 58.304 58.200 0.080 0.000 1.054 183 S CB 1.024 64.251 63.200 0.046 0.000 0.899 183 S HN 0.942 nan 8.310 nan 0.000 0.497 184 A N 5.506 128.453 122.820 0.213 0.000 1.855 184 A HA -0.076 4.244 4.320 -0.001 0.000 0.215 184 A C 1.970 179.737 177.584 0.304 0.000 1.191 184 A CA 1.718 53.998 52.037 0.406 0.000 0.613 184 A CB -0.832 18.549 19.000 0.635 0.000 0.829 184 A HN 1.031 nan 8.150 nan 0.000 0.442 185 K N -0.744 119.566 120.400 -0.149 0.000 2.160 185 K HA -0.215 4.104 4.320 -0.001 0.000 0.206 185 K C 1.300 177.817 176.600 -0.138 0.000 1.047 185 K CA 1.926 57.868 56.287 -0.575 0.000 0.930 185 K CB -0.281 31.721 32.500 -0.831 0.000 0.720 185 K HN 0.341 nan 8.250 nan 0.000 0.450 186 D N 0.203 120.575 120.400 -0.047 0.000 2.346 186 D HA 0.006 4.645 4.640 -0.001 0.000 0.206 186 D C 1.051 177.389 176.300 0.064 0.000 1.001 186 D CA 0.628 54.648 54.000 0.035 0.000 0.871 186 D CB 0.103 40.923 40.800 0.033 0.000 0.943 186 D HN 0.224 nan 8.370 nan 0.000 0.518 187 T N -0.113 114.411 114.554 -0.049 0.000 2.469 187 T HA -0.243 4.106 4.350 -0.001 0.000 0.254 187 T C 0.368 174.891 174.700 -0.295 0.000 1.214 187 T CA 1.311 63.276 62.100 -0.226 0.000 1.202 187 T CB -0.778 67.808 68.868 -0.469 0.000 0.864 187 T HN 0.117 nan 8.240 nan 0.000 0.408 188 Y N 2.844 122.983 120.300 -0.268 0.000 2.496 188 Y HA 0.402 4.952 4.550 -0.001 0.000 0.334 188 Y C 0.152 175.932 175.900 -0.200 0.000 1.080 188 Y CA -1.408 56.497 58.100 -0.325 0.000 1.355 188 Y CB -0.434 37.947 38.460 -0.131 0.000 1.193 188 Y HN 0.238 nan 8.280 nan 0.000 0.523 189 F N -0.365 119.562 119.950 -0.038 0.000 2.740 189 F HA 0.955 5.481 4.527 -0.001 0.000 0.357 189 F C 0.064 175.807 175.800 -0.096 0.000 1.141 189 F CA -2.976 54.986 58.000 -0.064 0.000 1.044 189 F CB 0.694 39.620 39.000 -0.124 0.000 1.430 189 F HN 0.392 nan 8.300 nan 0.000 0.518 190 G N -0.084 108.915 108.800 0.331 0.000 2.487 190 G HA2 0.413 4.372 3.960 -0.001 0.000 0.314 190 G HA3 0.413 4.372 3.960 -0.001 0.000 0.314 190 G C -1.321 173.612 174.900 0.056 0.000 1.267 190 G CA -0.638 44.552 45.100 0.151 0.000 0.937 190 G HN 1.042 nan 8.290 nan 0.000 0.481 191 H N 1.546 120.604 119.070 -0.019 0.000 3.004 191 H HA 0.172 4.727 4.556 -0.001 0.000 0.267 191 H C -0.468 174.866 175.328 0.009 0.000 1.165 191 H CA -0.332 55.688 56.048 -0.047 0.000 1.450 191 H CB 0.744 30.486 29.762 -0.033 0.000 1.488 191 H HN 0.434 nan 8.280 nan 0.000 0.478 192 Q N 3.723 123.493 119.800 -0.050 0.000 2.837 192 Q HA 0.372 4.711 4.340 -0.001 0.000 0.235 192 Q C 0.366 176.354 176.000 -0.020 0.000 1.348 192 Q CA 0.197 55.960 55.803 -0.067 0.000 0.990 192 Q CB 0.429 29.149 28.738 -0.029 0.000 1.570 192 Q HN 1.075 nan 8.270 nan 0.000 0.575 193 G N 1.071 109.867 108.800 -0.006 0.000 2.352 193 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.324 193 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.324 193 G C -0.967 174.049 174.900 0.193 0.000 1.249 193 G CA -1.092 44.052 45.100 0.073 0.000 1.053 193 G HN 0.440 nan 8.290 nan 0.000 0.492 194 R N -0.228 120.384 120.500 0.187 0.000 2.606 194 R HA 0.602 4.941 4.340 -0.001 0.000 0.249 194 R C -0.412 175.940 176.300 0.086 0.000 1.127 194 R CA -0.625 55.615 56.100 0.234 0.000 1.133 194 R CB 0.618 31.135 30.300 0.361 0.000 1.243 194 R HN 0.591 nan 8.270 nan 0.000 0.558 195 N N -0.620 118.132 118.700 0.087 0.000 2.321 195 N HA 0.435 5.174 4.740 -0.001 0.000 0.299 195 N C -1.553 173.895 175.510 -0.105 0.000 1.048 195 N CA -0.529 52.519 53.050 -0.003 0.000 0.836 195 N CB 2.234 40.806 38.487 0.142 0.000 1.269 195 N HN 0.549 nan 8.380 nan 0.000 0.486 196 A N 1.695 124.309 122.820 -0.343 0.000 2.273 196 A HA 0.413 4.732 4.320 -0.001 0.000 0.315 196 A C -0.941 176.704 177.584 0.101 0.000 1.256 196 A CA -0.580 51.259 52.037 -0.330 0.000 0.851 196 A CB -0.127 18.314 19.000 -0.931 0.000 1.172 196 A HN 0.693 nan 8.150 nan 0.000 0.508 197 F N 3.483 123.473 119.950 0.067 0.000 2.557 197 F HA 0.368 4.895 4.527 -0.001 0.000 0.384 197 F C 0.919 176.637 175.800 -0.138 0.000 1.057 197 F CA 0.002 57.860 58.000 -0.237 0.000 1.169 197 F CB 0.361 39.257 39.000 -0.173 0.000 1.070 197 F HN 0.730 nan 8.300 nan 0.000 0.554 198 A N 7.622 130.056 122.820 -0.643 0.000 2.488 198 A HA 0.334 4.653 4.320 -0.001 0.000 0.249 198 A C -0.417 176.945 177.584 -0.369 0.000 1.083 198 A CA -0.468 51.293 52.037 -0.460 0.000 0.768 198 A CB -0.107 18.281 19.000 -1.020 0.000 1.017 198 A HN 0.829 nan 8.150 nan 0.000 0.496 199 L N 3.209 124.382 121.223 -0.083 0.000 2.288 199 L HA 0.232 4.571 4.340 -0.001 0.000 0.283 199 L C -0.492 176.351 176.870 -0.045 0.000 1.072 199 L CA -0.275 54.544 54.840 -0.035 0.000 0.862 199 L CB -0.397 41.679 42.059 0.029 0.000 1.245 199 L HN 0.931 nan 8.230 nan 0.000 0.432 200 N N 1.708 120.368 118.700 -0.067 0.000 2.413 200 N HA -0.245 4.494 4.740 -0.001 0.000 0.282 200 N C -0.079 175.450 175.510 0.032 0.000 1.368 200 N CA 0.528 53.571 53.050 -0.012 0.000 0.627 200 N CB -1.072 37.417 38.487 0.003 0.000 0.899 200 N HN 0.563 nan 8.380 nan 0.000 0.517 201 Y N 0.691 120.928 120.300 -0.105 0.000 2.517 201 Y HA -0.070 4.480 4.550 -0.001 0.000 0.281 201 Y C 1.888 177.765 175.900 -0.039 0.000 1.125 201 Y CA 0.517 58.555 58.100 -0.104 0.000 1.283 201 Y CB 0.417 38.760 38.460 -0.195 0.000 1.042 201 Y HN 0.598 nan 8.280 nan 0.000 0.547 202 D N -0.936 119.553 120.400 0.149 0.000 2.269 202 D HA -0.187 4.452 4.640 -0.001 0.000 0.208 202 D C 2.061 178.417 176.300 0.094 0.000 0.963 202 D CA 1.062 55.118 54.000 0.094 0.000 0.864 202 D CB -0.548 40.291 40.800 0.065 0.000 0.936 202 D HN 0.257 nan 8.370 nan 0.000 0.505 203 S N 0.423 116.180 115.700 0.094 0.000 2.359 203 S HA -0.156 4.313 4.470 -0.001 0.000 0.224 203 S C 2.180 176.844 174.600 0.106 0.000 1.035 203 S CA 1.416 59.662 58.200 0.077 0.000 1.018 203 S CB -0.587 62.649 63.200 0.061 0.000 0.876 203 S HN 0.154 nan 8.310 nan 0.000 0.448 204 V N 1.616 121.625 119.914 0.159 0.000 2.252 204 V HA -0.189 3.930 4.120 -0.001 0.000 0.249 204 V C 2.615 178.809 176.094 0.168 0.000 1.056 204 V CA 2.118 64.530 62.300 0.187 0.000 1.022 204 V CB -0.883 31.125 31.823 0.308 0.000 0.641 204 V HN 0.488 nan 8.190 nan 0.000 0.445 205 V N -0.461 119.543 119.914 0.149 0.000 2.255 205 V HA -0.299 3.820 4.120 -0.001 0.000 0.247 205 V C 2.598 178.755 176.094 0.106 0.000 1.051 205 V CA 2.062 64.437 62.300 0.126 0.000 1.018 205 V CB -0.747 31.128 31.823 0.087 0.000 0.641 205 V HN 0.540 nan 8.190 nan 0.000 0.445 206 Q N -0.331 119.514 119.800 0.075 0.000 2.124 206 Q HA -0.204 4.135 4.340 -0.001 0.000 0.202 206 Q C 2.291 178.310 176.000 0.033 0.000 0.977 206 Q CA 1.737 57.563 55.803 0.038 0.000 0.850 206 Q CB -0.593 28.159 28.738 0.023 0.000 0.901 206 Q HN 0.644 nan 8.270 nan 0.000 0.429 207 R N 0.511 121.050 120.500 0.065 0.000 2.083 207 R HA -0.104 4.235 4.340 -0.001 0.000 0.237 207 R C 2.300 178.659 176.300 0.099 0.000 1.137 207 R CA 1.317 57.459 56.100 0.070 0.000 0.951 207 R CB -0.260 30.094 30.300 0.090 0.000 0.851 207 R HN 0.226 nan 8.270 nan 0.000 0.434 208 I N 0.752 121.423 120.570 0.169 0.000 2.226 208 I HA -0.222 3.948 4.170 -0.001 0.000 0.245 208 I C 2.604 178.858 176.117 0.229 0.000 1.100 208 I CA 1.267 62.721 61.300 0.257 0.000 1.374 208 I CB -0.505 37.698 38.000 0.339 0.000 1.057 208 I HN 0.311 nan 8.210 nan 0.000 0.413 209 A N 0.143 123.027 122.820 0.107 0.000 1.972 209 A HA -0.230 4.089 4.320 -0.001 0.000 0.219 209 A C 2.116 179.343 177.584 -0.595 0.000 1.169 209 A CA 1.483 53.406 52.037 -0.191 0.000 0.635 209 A CB -0.526 18.432 19.000 -0.070 0.000 0.810 209 A HN 0.504 nan 8.150 nan 0.000 0.446 210 Q N -0.083 119.552 119.800 -0.275 0.000 2.322 210 Q HA 0.060 4.399 4.340 -0.001 0.000 0.203 210 Q C 1.181 177.064 176.000 -0.195 0.000 0.923 210 Q CA 0.543 56.190 55.803 -0.261 0.000 0.949 210 Q CB 0.126 28.788 28.738 -0.128 0.000 1.039 210 Q HN 0.755 nan 8.270 nan 0.000 0.496 211 S N -0.549 115.071 115.700 -0.134 0.000 2.572 211 S HA 0.249 4.719 4.470 -0.001 0.000 0.228 211 S C -0.005 174.706 174.600 0.186 0.000 0.963 211 S CA -0.716 57.527 58.200 0.072 0.000 0.939 211 S CB -0.170 63.147 63.200 0.195 0.000 0.804 211 S HN 0.316 nan 8.310 nan 0.000 0.480 212 F N -2.343 117.534 119.950 -0.122 0.000 2.711 212 F HA 0.778 5.304 4.527 -0.001 0.000 0.313 212 F C -3.484 171.944 175.800 -0.620 0.000 1.141 212 F CA -2.886 54.837 58.000 -0.461 0.000 0.941 212 F CB -0.139 38.734 39.000 -0.212 0.000 1.349 212 F HN -0.312 nan 8.300 nan 0.000 0.464 213 P HA 0.035 nan 4.420 nan 0.000 0.256 213 P C 0.148 177.249 177.300 -0.331 0.000 1.173 213 P CA 0.387 63.009 63.100 -0.797 0.000 0.768 213 P CB 0.525 31.298 31.700 -1.545 0.000 0.758 214 Q N 2.715 122.356 119.800 -0.266 0.000 2.364 214 Q HA -0.128 4.211 4.340 -0.001 0.000 0.209 214 Q C 1.328 177.326 176.000 -0.003 0.000 0.977 214 Q CA 1.165 56.880 55.803 -0.146 0.000 0.885 214 Q CB -0.456 28.194 28.738 -0.146 0.000 0.941 214 Q HN 0.604 nan 8.270 nan 0.000 0.464 215 N N -1.526 117.182 118.700 0.013 0.000 2.383 215 N HA -0.103 4.636 4.740 -0.001 0.000 0.192 215 N C 0.823 176.499 175.510 0.277 0.000 1.141 215 N CA 0.057 53.170 53.050 0.105 0.000 0.851 215 N CB -0.172 38.360 38.487 0.075 0.000 0.976 215 N HN 0.147 nan 8.380 nan 0.000 0.465 216 W N 1.242 122.577 121.300 0.059 0.000 2.494 216 W HA 0.371 5.030 4.660 -0.001 0.000 0.286 216 W C 0.811 177.368 176.519 0.063 0.000 1.218 216 W CA -0.346 57.043 57.345 0.073 0.000 1.313 216 W CB -0.403 29.153 29.460 0.159 0.000 1.105 216 W HN -0.047 nan 8.180 nan 0.000 0.561 217 L N 1.644 123.070 121.223 0.338 0.000 2.439 217 L HA 0.102 4.441 4.340 -0.001 0.000 0.269 217 L C 0.787 177.719 176.870 0.105 0.000 1.179 217 L CA 0.557 55.519 54.840 0.204 0.000 0.828 217 L CB 0.420 42.592 42.059 0.188 0.000 1.106 217 L HN -0.258 nan 8.230 nan 0.000 0.467 218 K N 4.279 124.712 120.400 0.055 0.000 3.050 218 K HA 0.336 4.655 4.320 -0.001 0.000 0.185 218 K C -0.644 175.966 176.600 0.017 0.000 1.147 218 K CA -0.381 55.925 56.287 0.032 0.000 0.916 218 K CB 0.451 32.956 32.500 0.008 0.000 1.119 218 K HN 0.471 nan 8.250 nan 0.000 0.605 219 L N 0.787 122.022 121.223 0.021 0.000 2.444 219 L HA 0.084 4.423 4.340 -0.001 0.000 0.251 219 L C 1.036 177.901 176.870 -0.009 0.000 1.247 219 L CA 0.157 54.998 54.840 0.001 0.000 0.825 219 L CB 0.043 42.106 42.059 0.007 0.000 1.129 219 L HN 0.670 nan 8.230 nan 0.000 0.527 220 S N -1.943 113.737 115.700 -0.033 0.000 3.146 220 S HA -0.216 4.253 4.470 -0.001 0.000 0.285 220 S C 0.076 174.661 174.600 -0.024 0.000 1.293 220 S CA 1.136 59.316 58.200 -0.033 0.000 1.137 220 S CB -1.583 61.612 63.200 -0.007 0.000 1.357 220 S HN 0.791 nan 8.310 nan 0.000 0.678 221 c N 2.305 120.891 118.600 -0.024 0.000 2.264 221 c HA 0.696 5.265 4.570 -0.001 0.000 0.324 221 c C 0.035 174.109 174.090 -0.026 0.000 1.267 221 c CA -0.662 55.667 56.329 -0.000 0.000 1.618 221 c CB 0.726 43.258 42.510 0.037 0.000 2.278 221 c HN 0.503 nan 8.230 nan 0.000 0.499 222 E N 4.647 124.841 120.200 -0.010 0.000 2.081 222 E HA 0.420 4.770 4.350 -0.001 0.000 0.276 222 E C -0.627 175.987 176.600 0.023 0.000 0.950 222 E CA -0.408 55.992 56.400 0.000 0.000 0.776 222 E CB 1.230 30.963 29.700 0.054 0.000 1.094 222 E HN 0.742 nan 8.360 nan 0.000 0.402 223 V N 6.349 126.269 119.914 0.011 0.000 2.493 223 V HA -0.082 4.037 4.120 -0.001 0.000 0.292 223 V C 1.226 177.311 176.094 -0.015 0.000 1.016 223 V CA 0.763 63.060 62.300 -0.004 0.000 1.097 223 V CB 0.441 32.247 31.823 -0.028 0.000 0.947 223 V HN 0.727 nan 8.190 nan 0.000 0.479 224 K N 2.975 123.359 120.400 -0.026 0.000 2.354 224 K HA 0.262 4.581 4.320 -0.001 0.000 0.194 224 K C 0.334 176.880 176.600 -0.090 0.000 1.038 224 K CA 0.330 56.595 56.287 -0.037 0.000 1.052 224 K CB 0.531 33.022 32.500 -0.016 0.000 0.861 224 K HN 0.673 nan 8.250 nan 0.000 0.535 225 S N 0.100 115.724 115.700 -0.127 0.000 2.565 225 S HA 0.507 4.977 4.470 -0.001 0.000 0.274 225 S C -1.072 173.398 174.600 -0.218 0.000 1.144 225 S CA -1.086 56.998 58.200 -0.192 0.000 0.849 225 S CB 0.899 64.030 63.200 -0.114 0.000 1.103 225 S HN 0.156 nan 8.310 nan 0.000 0.455 226 I N 1.472 121.854 120.570 -0.314 0.000 2.500 226 I HA 0.472 4.641 4.170 -0.001 0.000 0.286 226 I C -0.915 175.145 176.117 -0.095 0.000 1.063 226 I CA -0.287 60.877 61.300 -0.227 0.000 1.062 226 I CB 2.401 40.194 38.000 -0.346 0.000 1.223 226 I HN 0.712 nan 8.210 nan 0.000 0.435 227 T N 4.710 119.244 114.554 -0.033 0.000 2.824 227 T HA 0.417 4.767 4.350 -0.001 0.000 0.282 227 T C -0.344 174.365 174.700 0.016 0.000 0.993 227 T CA -0.634 61.472 62.100 0.010 0.000 0.967 227 T CB 1.723 70.589 68.868 -0.004 0.000 0.960 227 T HN 0.347 nan 8.240 nan 0.000 0.441 228 R N 2.369 122.891 120.500 0.037 0.000 2.340 228 R HA 0.250 4.589 4.340 -0.001 0.000 0.300 228 R C -0.109 176.191 176.300 0.000 0.000 1.069 228 R CA -0.368 55.742 56.100 0.018 0.000 0.984 228 R CB 0.332 30.651 30.300 0.031 0.000 1.003 228 R HN 0.681 nan 8.270 nan 0.000 0.459 229 E N 7.199 127.388 120.200 -0.018 0.000 2.035 229 E HA 0.211 4.560 4.350 -0.001 0.000 0.271 229 E C -1.625 174.958 176.600 -0.028 0.000 0.953 229 E CA -2.226 54.160 56.400 -0.022 0.000 0.777 229 E CB 0.980 30.662 29.700 -0.030 0.000 1.104 229 E HN 0.506 nan 8.360 nan 0.000 0.408 230 P HA -0.241 nan 4.420 nan 0.000 0.219 230 P C 0.678 177.961 177.300 -0.028 0.000 1.145 230 P CA 1.056 64.144 63.100 -0.020 0.000 0.813 230 P CB -0.060 31.633 31.700 -0.011 0.000 0.771 231 S N -0.576 115.104 115.700 -0.032 0.000 3.227 231 S HA 0.131 4.600 4.470 -0.001 0.000 0.249 231 S C 0.732 175.299 174.600 -0.056 0.000 1.322 231 S CA -0.394 57.785 58.200 -0.036 0.000 1.253 231 S CB -1.254 61.927 63.200 -0.032 0.000 1.076 231 S HN 0.144 nan 8.310 nan 0.000 0.471 232 K N -0.427 119.935 120.400 -0.065 0.000 3.281 232 K HA -0.195 4.124 4.320 -0.001 0.000 0.308 232 K C -0.251 176.257 176.600 -0.154 0.000 1.218 232 K CA 1.378 57.603 56.287 -0.103 0.000 0.923 232 K CB -1.485 30.956 32.500 -0.098 0.000 1.222 232 K HN 0.658 nan 8.250 nan 0.000 0.440 233 N N -0.178 118.452 118.700 -0.117 0.000 2.469 233 N HA 0.501 5.241 4.740 -0.001 0.000 0.286 233 N C -0.685 174.770 175.510 -0.092 0.000 1.275 233 N CA -0.613 52.361 53.050 -0.128 0.000 0.790 233 N CB 2.236 40.665 38.487 -0.097 0.000 1.446 233 N HN -0.170 nan 8.380 nan 0.000 0.501 234 V N 0.302 120.164 119.914 -0.087 0.000 2.815 234 V HA 0.522 4.642 4.120 -0.001 0.000 0.314 234 V C -0.047 176.028 176.094 -0.032 0.000 1.064 234 V CA -0.562 61.707 62.300 -0.052 0.000 0.952 234 V CB 1.942 33.733 31.823 -0.052 0.000 1.020 234 V HN 0.617 nan 8.190 nan 0.000 0.439 235 T N 2.474 117.015 114.554 -0.022 0.000 2.786 235 T HA 0.565 4.914 4.350 -0.001 0.000 0.283 235 T C -0.556 174.136 174.700 -0.014 0.000 0.992 235 T CA -0.326 61.765 62.100 -0.014 0.000 0.954 235 T CB 1.378 70.234 68.868 -0.020 0.000 0.934 235 T HN 0.385 nan 8.240 nan 0.000 0.440 236 V N 5.009 124.935 119.914 0.021 0.000 2.357 236 V HA 0.399 4.519 4.120 -0.001 0.000 0.284 236 V C -0.156 175.977 176.094 0.065 0.000 1.018 236 V CA -1.013 61.305 62.300 0.030 0.000 0.841 236 V CB 1.263 33.119 31.823 0.056 0.000 0.991 236 V HN 0.783 nan 8.190 nan 0.000 0.437 237 N N 3.293 122.000 118.700 0.011 0.000 2.501 237 N HA 0.316 5.055 4.740 -0.001 0.000 0.245 237 N C -0.285 175.240 175.510 0.026 0.000 0.974 237 N CA -0.293 52.761 53.050 0.006 0.000 0.941 237 N CB 1.607 40.077 38.487 -0.028 0.000 1.122 237 N HN 0.559 nan 8.380 nan 0.000 0.507 238 c N 0.996 119.637 118.600 0.068 0.000 2.705 238 c HA -0.003 4.566 4.570 -0.001 0.000 0.382 238 c C 2.257 176.363 174.090 0.026 0.000 1.322 238 c CA -0.240 56.130 56.329 0.068 0.000 2.290 238 c CB 0.149 42.731 42.510 0.119 0.000 2.650 238 c HN 0.742 nan 8.230 nan 0.000 0.695 239 E N 0.528 120.743 120.200 0.025 0.000 2.230 239 E HA -0.150 4.199 4.350 -0.001 0.000 0.192 239 E C 1.107 177.714 176.600 0.012 0.000 0.987 239 E CA 1.537 57.947 56.400 0.017 0.000 0.841 239 E CB -0.260 29.457 29.700 0.029 0.000 0.783 239 E HN 0.819 nan 8.360 nan 0.000 0.481 240 D N 0.270 120.680 120.400 0.016 0.000 2.144 240 D HA -0.048 4.591 4.640 -0.001 0.000 0.199 240 D C 1.594 177.891 176.300 -0.005 0.000 0.984 240 D CA 1.827 55.832 54.000 0.010 0.000 0.834 240 D CB -0.028 40.782 40.800 0.017 0.000 0.955 240 D HN 0.374 nan 8.370 nan 0.000 0.465 241 G N -1.055 107.736 108.800 -0.016 0.000 3.611 241 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.217 241 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.217 241 G C 0.387 175.240 174.900 -0.079 0.000 1.023 241 G CA 0.080 45.156 45.100 -0.039 0.000 0.887 241 G HN 0.673 nan 8.290 nan 0.000 0.420 242 T N 0.173 114.666 114.554 -0.102 0.000 2.939 242 T HA 0.395 4.745 4.350 -0.001 0.000 0.312 242 T C 0.030 174.554 174.700 -0.293 0.000 1.064 242 T CA 0.519 62.465 62.100 -0.256 0.000 1.136 242 T CB 1.856 70.533 68.868 -0.318 0.000 1.035 242 T HN 0.910 nan 8.240 nan 0.000 0.538 243 V N 4.413 124.085 119.914 -0.403 0.000 2.327 243 V HA 0.289 4.408 4.120 -0.001 0.000 0.272 243 V C -0.779 175.126 176.094 -0.314 0.000 1.019 243 V CA -1.090 61.056 62.300 -0.256 0.000 0.814 243 V CB -0.413 31.322 31.823 -0.146 0.000 1.040 243 V HN 0.870 nan 8.190 nan 0.000 0.440 244 Y N 2.093 122.368 120.300 -0.042 0.000 2.298 244 Y HA 0.424 4.973 4.550 -0.001 0.000 0.329 244 Y C 0.749 176.619 175.900 -0.050 0.000 1.293 244 Y CA -0.255 57.817 58.100 -0.046 0.000 1.388 244 Y CB 0.741 39.169 38.460 -0.054 0.000 1.309 244 Y HN 0.602 nan 8.280 nan 0.000 0.544 245 N N 0.399 119.169 118.700 0.117 0.000 2.519 245 N HA 0.642 5.381 4.740 -0.001 0.000 0.286 245 N C -1.694 173.827 175.510 0.019 0.000 1.079 245 N CA -0.245 52.827 53.050 0.035 0.000 0.878 245 N CB 0.908 39.397 38.487 0.003 0.000 1.375 245 N HN 0.767 nan 8.380 nan 0.000 0.514 246 A N 1.902 124.715 122.820 -0.013 0.000 2.350 246 A HA 0.441 4.760 4.320 -0.001 0.000 0.318 246 A C 0.156 177.688 177.584 -0.087 0.000 1.132 246 A CA -0.574 51.438 52.037 -0.041 0.000 0.811 246 A CB 0.960 19.930 19.000 -0.050 0.000 1.313 246 A HN 0.707 nan 8.150 nan 0.000 0.454 247 D N -0.936 119.408 120.400 -0.094 0.000 2.277 247 D HA 0.112 4.752 4.640 -0.001 0.000 0.208 247 D C -0.731 175.271 176.300 -0.496 0.000 0.962 247 D CA 1.918 55.779 54.000 -0.232 0.000 0.865 247 D CB 0.085 40.830 40.800 -0.093 0.000 0.939 247 D HN 0.501 nan 8.370 nan 0.000 0.510 248 Y N -1.328 118.928 120.300 -0.073 0.000 2.624 248 Y HA 0.304 4.854 4.550 -0.001 0.000 0.334 248 Y C -0.601 175.234 175.900 -0.108 0.000 1.155 248 Y CA -1.331 56.718 58.100 -0.085 0.000 1.046 248 Y CB 2.005 40.412 38.460 -0.088 0.000 1.316 248 Y HN -0.317 nan 8.280 nan 0.000 0.457 249 V N 0.227 120.177 119.914 0.060 0.000 2.760 249 V HA 0.700 4.819 4.120 -0.001 0.000 0.309 249 V C -1.184 174.858 176.094 -0.087 0.000 1.077 249 V CA -0.909 61.366 62.300 -0.041 0.000 0.910 249 V CB 1.993 33.778 31.823 -0.062 0.000 1.008 249 V HN 0.686 nan 8.190 nan 0.000 0.424 250 I N 5.328 125.835 120.570 -0.105 0.000 2.390 250 I HA 0.459 4.629 4.170 -0.001 0.000 0.283 250 I C -0.457 175.609 176.117 -0.085 0.000 1.016 250 I CA -0.395 60.836 61.300 -0.115 0.000 1.151 250 I CB 1.563 39.502 38.000 -0.101 0.000 1.293 250 I HN 0.551 nan 8.210 nan 0.000 0.458 251 I N 5.792 126.295 120.570 -0.112 0.000 2.337 251 I HA 0.116 4.285 4.170 -0.001 0.000 0.291 251 I C 1.249 177.483 176.117 0.196 0.000 1.046 251 I CA 0.034 61.358 61.300 0.041 0.000 1.324 251 I CB 1.109 39.141 38.000 0.053 0.000 1.409 251 I HN 0.610 nan 8.210 nan 0.000 0.494 252 T N 2.199 116.856 114.554 0.172 0.000 3.085 252 T HA 0.150 4.499 4.350 -0.001 0.000 0.264 252 T C 0.473 175.312 174.700 0.232 0.000 1.019 252 T CA -0.382 61.845 62.100 0.212 0.000 0.910 252 T CB -0.402 68.542 68.868 0.126 0.000 1.059 252 T HN 0.371 nan 8.240 nan 0.000 0.542 253 V N -0.028 120.019 119.914 0.223 0.000 2.814 253 V HA 0.325 4.444 4.120 -0.001 0.000 0.307 253 V C -2.539 173.600 176.094 0.075 0.000 1.089 253 V CA -1.871 60.527 62.300 0.164 0.000 1.212 253 V CB -0.509 31.421 31.823 0.178 0.000 0.912 253 V HN 0.082 nan 8.190 nan 0.000 0.497 254 P HA 0.017 nan 4.420 nan 0.000 0.267 254 P C 0.750 177.795 177.300 -0.425 0.000 1.200 254 P CA 0.141 63.138 63.100 -0.173 0.000 0.772 254 P CB 0.389 32.061 31.700 -0.047 0.000 0.855 255 Q N 2.390 121.743 119.800 -0.744 0.000 2.152 255 Q HA -0.228 4.111 4.340 -0.001 0.000 0.206 255 Q C 1.627 177.431 176.000 -0.328 0.000 0.985 255 Q CA 2.638 58.141 55.803 -0.500 0.000 0.863 255 Q CB -0.309 28.267 28.738 -0.270 0.000 0.904 255 Q HN 0.591 nan 8.270 nan 0.000 0.422 256 S N -1.055 114.148 115.700 -0.829 0.000 2.423 256 S HA -0.068 4.402 4.470 -0.001 0.000 0.231 256 S C 1.911 176.293 174.600 -0.362 0.000 1.014 256 S CA 1.148 58.935 58.200 -0.687 0.000 0.965 256 S CB -0.252 62.269 63.200 -1.132 0.000 0.785 256 S HN 0.230 nan 8.310 nan 0.000 0.495 257 V N 1.216 120.957 119.914 -0.288 0.000 2.446 257 V HA 0.063 4.182 4.120 -0.001 0.000 0.244 257 V C 2.367 178.413 176.094 -0.079 0.000 1.039 257 V CA 1.234 63.453 62.300 -0.136 0.000 1.045 257 V CB -0.610 31.189 31.823 -0.040 0.000 0.681 257 V HN 0.449 nan 8.190 nan 0.000 0.459 258 L N 0.918 122.122 121.223 -0.031 0.000 2.131 258 L HA -0.155 4.184 4.340 -0.001 0.000 0.210 258 L C 2.066 178.813 176.870 -0.206 0.000 1.092 258 L CA 2.078 56.963 54.840 0.075 0.000 0.759 258 L CB -1.131 41.085 42.059 0.262 0.000 0.903 258 L HN 0.435 nan 8.230 nan 0.000 0.435 259 N N -0.802 117.654 118.700 -0.407 0.000 2.272 259 N HA -0.204 4.536 4.740 -0.001 0.000 0.185 259 N C 1.759 176.934 175.510 -0.558 0.000 1.014 259 N CA 0.819 53.295 53.050 -0.956 0.000 0.870 259 N CB -0.098 38.099 38.487 -0.483 0.000 0.975 259 N HN 0.448 nan 8.380 nan 0.000 0.433 260 L N 0.059 121.110 121.223 -0.288 0.000 2.456 260 L HA -0.080 4.259 4.340 -0.001 0.000 0.224 260 L C 2.181 178.975 176.870 -0.127 0.000 1.148 260 L CA 0.347 55.083 54.840 -0.173 0.000 0.825 260 L CB -0.290 41.703 42.059 -0.109 0.000 0.937 260 L HN 0.210 nan 8.230 nan 0.000 0.450 261 S N 0.434 116.062 115.700 -0.120 0.000 2.338 261 S HA -0.151 4.319 4.470 -0.001 0.000 0.218 261 S C 2.014 176.578 174.600 -0.059 0.000 1.032 261 S CA 1.504 59.711 58.200 0.012 0.000 0.999 261 S CB -0.361 62.957 63.200 0.196 0.000 0.905 261 S HN 0.424 nan 8.310 nan 0.000 0.439 262 V N 0.150 119.947 119.914 -0.194 0.000 2.867 262 V HA -0.050 4.069 4.120 -0.001 0.000 0.260 262 V C 0.729 176.756 176.094 -0.112 0.000 1.099 262 V CA 1.025 63.233 62.300 -0.152 0.000 1.122 262 V CB -0.941 30.748 31.823 -0.223 0.000 0.708 262 V HN 0.351 nan 8.190 nan 0.000 0.490 263 Q N 1.434 121.157 119.800 -0.128 0.000 2.288 263 Q HA 0.313 4.652 4.340 -0.001 0.000 0.258 263 Q C -2.455 173.516 176.000 -0.048 0.000 0.957 263 Q CA -1.936 53.816 55.803 -0.085 0.000 0.919 263 Q CB 1.253 29.933 28.738 -0.097 0.000 1.185 263 Q HN 0.356 nan 8.270 nan 0.000 0.408 264 P HA 0.041 nan 4.420 nan 0.000 0.274 264 P C -0.964 176.325 177.300 -0.019 0.000 1.291 264 P CA 0.368 63.458 63.100 -0.018 0.000 0.815 264 P CB 0.401 32.093 31.700 -0.012 0.000 0.897 265 E N 2.736 122.925 120.200 -0.018 0.000 2.351 265 E HA -0.010 4.340 4.350 -0.001 0.000 0.253 265 E C -0.801 175.788 176.600 -0.019 0.000 1.125 265 E CA -0.184 56.204 56.400 -0.019 0.000 0.561 265 E CB -0.835 28.850 29.700 -0.025 0.000 1.082 265 E HN 0.110 nan 8.360 nan 0.000 0.418 266 K N 1.482 121.874 120.400 -0.013 0.000 3.387 266 K HA 0.092 4.411 4.320 -0.001 0.000 0.300 266 K C 0.676 177.267 176.600 -0.014 0.000 0.980 266 K CA 0.703 56.982 56.287 -0.012 0.000 1.098 266 K CB -0.261 32.233 32.500 -0.009 0.000 1.227 266 K HN 0.315 nan 8.250 nan 0.000 0.367 267 N N -0.077 118.612 118.700 -0.018 0.000 2.249 267 N HA 0.039 4.778 4.740 -0.001 0.000 0.239 267 N C -0.170 175.325 175.510 -0.024 0.000 1.185 267 N CA -0.164 52.876 53.050 -0.018 0.000 0.825 267 N CB 0.424 38.902 38.487 -0.016 0.000 1.372 267 N HN 0.055 nan 8.380 nan 0.000 0.472 268 L N 1.921 123.123 121.223 -0.035 0.000 2.499 268 L HA 0.145 4.484 4.340 -0.001 0.000 0.281 268 L C 0.802 177.633 176.870 -0.064 0.000 1.234 268 L CA -0.292 54.516 54.840 -0.053 0.000 0.839 268 L CB 0.259 42.280 42.059 -0.062 0.000 1.104 268 L HN 0.191 nan 8.230 nan 0.000 0.500 269 R N 1.940 122.376 120.500 -0.107 0.000 2.484 269 R HA 0.076 4.415 4.340 -0.001 0.000 0.293 269 R C 1.119 177.300 176.300 -0.199 0.000 1.023 269 R CA 0.930 56.931 56.100 -0.166 0.000 1.037 269 R CB 0.019 30.130 30.300 -0.316 0.000 0.951 269 R HN 0.982 nan 8.270 nan 0.000 0.418 270 G N 2.594 111.390 108.800 -0.006 0.000 2.267 270 G HA2 -0.361 3.598 3.960 -0.001 0.000 0.257 270 G HA3 -0.361 3.598 3.960 -0.001 0.000 0.257 270 G C 0.421 175.360 174.900 0.065 0.000 0.998 270 G CA 0.506 45.685 45.100 0.131 0.000 0.620 270 G HN 0.605 nan 8.290 nan 0.000 0.529 271 R N 0.865 121.368 120.500 0.004 0.000 2.458 271 R HA 0.410 4.750 4.340 -0.001 0.000 0.303 271 R C 0.046 176.343 176.300 -0.005 0.000 1.013 271 R CA -0.137 55.962 56.100 -0.001 0.000 1.026 271 R CB -0.095 30.191 30.300 -0.023 0.000 0.948 271 R HN 0.323 nan 8.270 nan 0.000 0.417 272 I N 4.204 124.768 120.570 -0.010 0.000 2.307 272 I HA 0.099 4.268 4.170 -0.001 0.000 0.289 272 I C 0.154 176.147 176.117 -0.207 0.000 1.021 272 I CA -0.654 60.551 61.300 -0.158 0.000 1.224 272 I CB 1.466 39.285 38.000 -0.303 0.000 1.376 272 I HN 0.635 nan 8.210 nan 0.000 0.470 273 E N 6.222 126.316 120.200 -0.176 0.000 2.360 273 E HA 0.237 4.587 4.350 -0.001 0.000 0.269 273 E C -1.563 174.916 176.600 -0.201 0.000 1.022 273 E CA 0.350 56.699 56.400 -0.086 0.000 0.887 273 E CB 0.528 30.196 29.700 -0.053 0.000 0.990 273 E HN 0.272 nan 8.360 nan 0.000 0.426 274 F N 3.100 123.065 119.950 0.025 0.000 2.495 274 F HA 0.413 4.939 4.527 -0.001 0.000 0.327 274 F C -0.019 175.797 175.800 0.027 0.000 1.103 274 F CA -0.646 57.377 58.000 0.037 0.000 0.949 274 F CB 1.883 40.922 39.000 0.066 0.000 1.142 274 F HN 0.265 nan 8.300 nan 0.000 0.457 275 Q N 4.746 124.678 119.800 0.220 0.000 2.269 275 Q HA 0.318 4.658 4.340 -0.001 0.000 0.263 275 Q C -2.706 173.364 176.000 0.117 0.000 0.983 275 Q CA -2.036 53.844 55.803 0.129 0.000 0.777 275 Q CB 2.740 31.515 28.738 0.062 0.000 1.273 275 Q HN 0.244 nan 8.270 nan 0.000 0.440 276 P HA 0.293 nan 4.420 nan 0.000 0.274 276 P C -2.485 174.891 177.300 0.126 0.000 1.256 276 P CA -1.483 61.671 63.100 0.091 0.000 0.795 276 P CB -0.040 31.695 31.700 0.058 0.000 1.038 277 P HA 0.011 nan 4.420 nan 0.000 0.267 277 P C 0.092 177.418 177.300 0.042 0.000 1.195 277 P CA 0.426 63.584 63.100 0.097 0.000 0.773 277 P CB 0.146 31.883 31.700 0.061 0.000 0.837 278 L N 1.681 122.889 121.223 -0.026 0.000 2.529 278 L HA -0.051 4.288 4.340 -0.001 0.000 0.287 278 L C 1.180 178.032 176.870 -0.031 0.000 1.241 278 L CA 0.262 55.040 54.840 -0.103 0.000 0.857 278 L CB -0.260 41.700 42.059 -0.164 0.000 1.113 278 L HN 0.348 nan 8.230 nan 0.000 0.504 279 K N 4.203 124.588 120.400 -0.024 0.000 2.550 279 K HA -0.061 4.258 4.320 -0.001 0.000 0.280 279 K C -1.328 175.265 176.600 -0.012 0.000 0.987 279 K CA -0.776 55.504 56.287 -0.011 0.000 1.048 279 K CB 0.209 32.700 32.500 -0.014 0.000 0.879 279 K HN 0.435 nan 8.250 nan 0.000 0.491 280 P HA -0.167 nan 4.420 nan 0.000 0.223 280 P C 1.192 178.488 177.300 -0.007 0.000 1.144 280 P CA 1.135 64.235 63.100 0.001 0.000 0.783 280 P CB -0.008 31.693 31.700 0.002 0.000 0.771 281 V N -3.040 116.860 119.914 -0.023 0.000 2.488 281 V HA -0.110 4.010 4.120 -0.001 0.000 0.246 281 V C 2.362 178.412 176.094 -0.074 0.000 1.046 281 V CA 1.014 63.288 62.300 -0.043 0.000 1.053 281 V CB -1.324 30.470 31.823 -0.047 0.000 0.679 281 V HN -0.068 nan 8.190 nan 0.000 0.458 282 I N 0.121 120.645 120.570 -0.078 0.000 2.233 282 I HA -0.175 3.995 4.170 -0.001 0.000 0.243 282 I C 2.892 179.022 176.117 0.022 0.000 1.093 282 I CA 1.897 63.118 61.300 -0.131 0.000 1.380 282 I CB -0.528 37.382 38.000 -0.149 0.000 1.067 282 I HN 0.378 nan 8.210 nan 0.000 0.413 283 Q N 0.919 120.774 119.800 0.092 0.000 2.197 283 Q HA -0.266 4.073 4.340 -0.001 0.000 0.207 283 Q C 1.248 177.358 176.000 0.183 0.000 0.984 283 Q CA 1.855 57.762 55.803 0.173 0.000 0.869 283 Q CB -0.000 28.774 28.738 0.060 0.000 0.906 283 Q HN 0.519 nan 8.270 nan 0.000 0.426 284 D N -0.641 119.797 120.400 0.064 0.000 2.305 284 D HA 0.040 4.679 4.640 -0.001 0.000 0.206 284 D C 1.534 177.815 176.300 -0.031 0.000 0.974 284 D CA 0.799 54.815 54.000 0.028 0.000 0.871 284 D CB 0.019 40.819 40.800 -0.001 0.000 0.947 284 D HN 0.306 nan 8.370 nan 0.000 0.516 285 A N 0.314 123.054 122.820 -0.133 0.000 2.076 285 A HA -0.140 4.179 4.320 -0.001 0.000 0.220 285 A C 1.597 178.973 177.584 -0.348 0.000 1.160 285 A CA 0.755 52.626 52.037 -0.277 0.000 0.653 285 A CB -0.942 17.809 19.000 -0.416 0.000 0.801 285 A HN 0.156 nan 8.150 nan 0.000 0.455 286 F N -0.105 119.760 119.950 -0.142 0.000 2.802 286 F HA 0.002 4.528 4.527 -0.001 0.000 0.300 286 F C 1.397 177.082 175.800 -0.191 0.000 1.168 286 F CA 0.643 58.538 58.000 -0.175 0.000 1.433 286 F CB 0.266 39.182 39.000 -0.141 0.000 1.115 286 F HN 0.233 nan 8.300 nan 0.000 0.582 287 D N -0.378 120.024 120.400 0.003 0.000 2.367 287 D HA 0.020 4.659 4.640 -0.001 0.000 0.207 287 D C 1.534 177.824 176.300 -0.018 0.000 1.034 287 D CA 0.523 54.530 54.000 0.013 0.000 0.861 287 D CB 0.145 40.970 40.800 0.042 0.000 0.943 287 D HN 0.334 nan 8.370 nan 0.000 0.515 288 K N -0.000 120.339 120.400 -0.102 0.000 2.373 288 K HA 0.188 4.507 4.320 -0.001 0.000 0.200 288 K C 0.280 176.792 176.600 -0.146 0.000 1.054 288 K CA 0.091 56.336 56.287 -0.071 0.000 1.065 288 K CB 1.785 34.249 32.500 -0.059 0.000 0.886 288 K HN -0.022 nan 8.250 nan 0.000 0.546 289 I N 0.054 120.403 120.570 -0.369 0.000 2.934 289 I HA 0.373 4.542 4.170 -0.001 0.000 0.306 289 I C 0.067 175.666 176.117 -0.864 0.000 1.110 289 I CA -0.717 60.355 61.300 -0.380 0.000 1.019 289 I CB 1.576 39.446 38.000 -0.216 0.000 1.227 289 I HN -0.009 nan 8.210 nan 0.000 0.434 290 H N 1.439 120.375 119.070 -0.224 0.000 3.048 290 H HA 0.504 5.059 4.556 -0.001 0.000 0.296 290 H C -1.599 173.713 175.328 -0.026 0.000 1.508 290 H CA -0.390 55.461 56.048 -0.327 0.000 1.250 290 H CB 2.452 31.513 29.762 -1.167 0.000 1.896 290 H HN 0.321 nan 8.280 nan 0.000 0.604 291 F N 0.758 120.645 119.950 -0.105 0.000 2.482 291 F HA 0.471 4.997 4.527 -0.001 0.000 0.331 291 F C 0.628 176.440 175.800 0.019 0.000 1.115 291 F CA -0.453 57.530 58.000 -0.027 0.000 0.955 291 F CB 1.520 40.520 39.000 -0.001 0.000 1.136 291 F HN 0.561 nan 8.300 nan 0.000 0.452 292 G N 1.897 110.522 108.800 -0.292 0.000 2.562 292 G HA2 0.508 4.468 3.960 -0.001 0.000 0.275 292 G HA3 0.508 4.468 3.960 -0.001 0.000 0.275 292 G C -0.945 173.767 174.900 -0.313 0.000 1.196 292 G CA -0.314 44.636 45.100 -0.251 0.000 0.908 292 G HN 0.924 nan 8.290 nan 0.000 0.524 293 A N 0.704 123.442 122.820 -0.137 0.000 3.214 293 A HA 0.482 4.801 4.320 -0.001 0.000 0.304 293 A C -0.123 177.450 177.584 -0.019 0.000 0.969 293 A CA -0.465 51.542 52.037 -0.050 0.000 0.986 293 A CB -0.099 18.942 19.000 0.067 0.000 1.073 293 A HN 0.624 nan 8.150 nan 0.000 0.487 294 L N 1.274 122.433 121.223 -0.107 0.000 2.455 294 L HA 0.587 4.927 4.340 -0.001 0.000 0.272 294 L C 0.504 177.463 176.870 0.149 0.000 1.174 294 L CA 0.777 55.646 54.840 0.049 0.000 0.869 294 L CB 0.784 42.913 42.059 0.116 0.000 1.130 294 L HN 0.384 nan 8.230 nan 0.000 0.474 295 G N 4.266 113.168 108.800 0.170 0.000 2.605 295 G HA2 0.573 4.532 3.960 -0.001 0.000 0.296 295 G HA3 0.573 4.532 3.960 -0.001 0.000 0.296 295 G C -1.416 173.576 174.900 0.154 0.000 1.304 295 G CA -0.779 44.437 45.100 0.193 0.000 0.941 295 G HN 0.560 nan 8.290 nan 0.000 0.475 296 K N -0.563 119.910 120.400 0.121 0.000 2.281 296 K HA 0.751 5.070 4.320 -0.001 0.000 0.242 296 K C -1.362 175.185 176.600 -0.088 0.000 0.971 296 K CA -0.849 55.462 56.287 0.041 0.000 0.834 296 K CB 2.931 35.482 32.500 0.085 0.000 1.181 296 K HN 0.236 nan 8.250 nan 0.000 0.435 297 V N 3.075 122.873 119.914 -0.194 0.000 2.711 297 V HA 0.320 4.439 4.120 -0.001 0.000 0.304 297 V C -1.171 174.641 176.094 -0.471 0.000 1.097 297 V CA -0.869 61.183 62.300 -0.413 0.000 0.906 297 V CB 1.894 33.346 31.823 -0.619 0.000 1.015 297 V HN 0.600 nan 8.190 nan 0.000 0.427 298 I N 4.910 125.159 120.570 -0.534 0.000 2.371 298 I HA 0.415 4.584 4.170 -0.001 0.000 0.282 298 I C -0.622 175.191 176.117 -0.506 0.000 1.031 298 I CA -0.344 60.684 61.300 -0.453 0.000 1.180 298 I CB 0.708 38.344 38.000 -0.608 0.000 1.336 298 I HN 0.393 nan 8.210 nan 0.000 0.467 299 F N 4.393 124.248 119.950 -0.159 0.000 2.404 299 F HA 0.282 4.809 4.527 -0.001 0.000 0.359 299 F C 1.071 176.667 175.800 -0.340 0.000 1.134 299 F CA -0.404 57.443 58.000 -0.255 0.000 1.160 299 F CB 0.439 39.353 39.000 -0.143 0.000 1.186 299 F HN 0.372 nan 8.300 nan 0.000 0.526 300 E N 4.088 124.125 120.200 -0.272 0.000 2.130 300 E HA 0.280 4.629 4.350 -0.001 0.000 0.284 300 E C -0.924 175.475 176.600 -0.335 0.000 1.018 300 E CA -0.430 55.875 56.400 -0.160 0.000 0.817 300 E CB 0.893 30.549 29.700 -0.072 0.000 1.078 300 E HN 0.346 nan 8.360 nan 0.000 0.396 301 F N 1.444 121.428 119.950 0.057 0.000 2.399 301 F HA 0.106 4.632 4.527 -0.001 0.000 0.328 301 F C 1.719 177.578 175.800 0.099 0.000 1.084 301 F CA -0.611 57.423 58.000 0.057 0.000 1.053 301 F CB 1.111 40.206 39.000 0.159 0.000 1.209 301 F HN 0.437 nan 8.300 nan 0.000 0.502 302 E N 1.554 121.904 120.200 0.250 0.000 2.013 302 E HA -0.192 4.157 4.350 -0.001 0.000 0.202 302 E C -0.093 176.630 176.600 0.205 0.000 1.018 302 E CA 1.829 58.376 56.400 0.245 0.000 0.834 302 E CB -0.016 29.784 29.700 0.166 0.000 0.770 302 E HN 0.687 nan 8.360 nan 0.000 0.459 303 E N -1.646 118.628 120.200 0.123 0.000 2.408 303 E HA 0.315 4.665 4.350 -0.001 0.000 0.275 303 E C -1.250 175.235 176.600 -0.192 0.000 0.935 303 E CA -0.878 55.517 56.400 -0.009 0.000 0.775 303 E CB 1.133 30.814 29.700 -0.031 0.000 1.277 303 E HN 0.212 nan 8.360 nan 0.000 0.455 304 C N 2.276 121.317 119.300 -0.432 0.000 2.576 304 C HA 0.477 4.936 4.460 -0.001 0.000 0.401 304 C C 0.963 175.487 174.990 -0.778 0.000 1.314 304 C CA -0.081 58.301 59.018 -1.060 0.000 1.855 304 C CB -1.430 25.646 27.740 -1.107 0.000 2.537 304 C HN 0.742 nan 8.230 nan 0.000 0.578 305 C N 4.285 123.115 119.300 -0.783 0.000 3.245 305 C HA 0.566 5.025 4.460 -0.001 0.000 0.254 305 C C -0.557 174.326 174.990 -0.177 0.000 1.931 305 C CA -0.814 57.996 59.018 -0.347 0.000 1.726 305 C CB -2.277 25.373 27.740 -0.151 0.000 3.348 305 C HN 0.983 nan 8.230 nan 0.000 0.458 306 W N -0.278 120.965 121.300 -0.095 0.000 2.882 306 W HA 0.767 5.427 4.660 -0.001 0.000 0.345 306 W C -0.144 176.349 176.519 -0.042 0.000 1.125 306 W CA -1.366 55.934 57.345 -0.074 0.000 1.167 306 W CB 0.247 29.654 29.460 -0.087 0.000 1.431 306 W HN 0.065 nan 8.180 nan 0.000 0.543 307 S N 1.476 117.318 115.700 0.237 0.000 2.560 307 S HA 0.068 4.537 4.470 -0.001 0.000 0.284 307 S C 0.155 174.894 174.600 0.232 0.000 1.327 307 S CA -0.061 58.225 58.200 0.142 0.000 1.055 307 S CB -0.060 63.198 63.200 0.097 0.000 0.868 307 S HN 0.524 nan 8.310 nan 0.000 0.506 308 N N 3.718 122.479 118.700 0.103 0.000 3.025 308 N HA 0.093 4.832 4.740 -0.001 0.000 0.315 308 N C 0.671 176.217 175.510 0.060 0.000 1.511 308 N CA -0.113 53.005 53.050 0.114 0.000 1.097 308 N CB 0.805 39.321 38.487 0.048 0.000 1.395 308 N HN 0.800 nan 8.380 nan 0.000 0.511 309 E N -0.080 120.152 120.200 0.053 0.000 2.230 309 E HA 0.010 4.359 4.350 -0.001 0.000 0.192 309 E C -0.271 176.323 176.600 -0.009 0.000 0.987 309 E CA 0.423 56.831 56.400 0.013 0.000 0.841 309 E CB 0.437 30.140 29.700 0.005 0.000 0.783 309 E HN 0.102 nan 8.360 nan 0.000 0.481 310 S N -1.311 114.380 115.700 -0.015 0.000 2.535 310 S HA 0.141 4.610 4.470 -0.001 0.000 0.272 310 S C 0.095 174.647 174.600 -0.081 0.000 1.149 310 S CA -0.199 57.963 58.200 -0.063 0.000 0.888 310 S CB 1.491 64.625 63.200 -0.109 0.000 1.110 310 S HN 0.158 nan 8.310 nan 0.000 0.463 311 S N 2.353 117.994 115.700 -0.099 0.000 2.558 311 S HA 0.293 4.763 4.470 -0.001 0.000 0.217 311 S C 0.107 174.574 174.600 -0.220 0.000 0.975 311 S CA 0.017 58.151 58.200 -0.110 0.000 0.912 311 S CB -0.152 63.004 63.200 -0.073 0.000 0.776 311 S HN 0.445 nan 8.310 nan 0.000 0.526 312 K N 1.670 121.876 120.400 -0.323 0.000 2.307 312 K HA 0.627 4.946 4.320 -0.001 0.000 0.263 312 K C -1.041 175.318 176.600 -0.402 0.000 0.973 312 K CA -0.456 55.533 56.287 -0.497 0.000 0.846 312 K CB 1.414 33.234 32.500 -1.132 0.000 1.100 312 K HN 0.305 nan 8.250 nan 0.000 0.438 313 I N 2.004 122.427 120.570 -0.247 0.000 2.571 313 I HA 0.308 4.477 4.170 -0.001 0.000 0.289 313 I C -0.812 175.362 176.117 0.095 0.000 1.115 313 I CA -1.133 60.070 61.300 -0.162 0.000 1.045 313 I CB 2.326 40.123 38.000 -0.339 0.000 1.238 313 I HN 0.013 nan 8.210 nan 0.000 0.424 314 V N 3.908 123.901 119.914 0.131 0.000 2.487 314 V HA 0.469 4.588 4.120 -0.001 0.000 0.298 314 V C 0.084 176.345 176.094 0.277 0.000 1.028 314 V CA -0.555 61.936 62.300 0.320 0.000 0.860 314 V CB 2.212 34.282 31.823 0.412 0.000 0.991 314 V HN 0.836 nan 8.190 nan 0.000 0.427 315 T N 4.023 118.756 114.554 0.298 0.000 2.767 315 T HA 0.699 5.049 4.350 -0.001 0.000 0.288 315 T C -0.381 174.517 174.700 0.329 0.000 0.963 315 T CA -0.583 61.681 62.100 0.274 0.000 1.019 315 T CB 0.772 69.720 68.868 0.134 0.000 0.923 315 T HN 0.348 nan 8.240 nan 0.000 0.468 316 L N 2.618 124.061 121.223 0.366 0.000 2.375 316 L HA 0.592 4.931 4.340 -0.001 0.000 0.271 316 L C 1.134 178.212 176.870 0.346 0.000 1.107 316 L CA -1.182 53.835 54.840 0.295 0.000 0.806 316 L CB 0.691 42.900 42.059 0.250 0.000 1.146 316 L HN 0.893 nan 8.230 nan 0.000 0.447 317 A N 2.774 125.731 122.820 0.228 0.000 2.406 317 A HA 0.197 4.516 4.320 -0.001 0.000 0.243 317 A C 0.162 177.849 177.584 0.172 0.000 1.082 317 A CA -0.534 51.655 52.037 0.252 0.000 0.786 317 A CB -0.005 19.072 19.000 0.128 0.000 1.029 317 A HN 0.796 nan 8.150 nan 0.000 0.495 318 N N 0.358 119.139 118.700 0.134 0.000 2.329 318 N HA 0.231 4.970 4.740 -0.001 0.000 0.237 318 N C 0.266 175.755 175.510 -0.035 0.000 1.258 318 N CA 1.029 54.073 53.050 -0.010 0.000 0.866 318 N CB 0.366 38.821 38.487 -0.055 0.000 1.102 318 N HN 0.822 nan 8.380 nan 0.000 0.440 319 S N -1.781 113.864 115.700 -0.092 0.000 2.661 319 S HA 0.782 5.252 4.470 -0.001 0.000 0.285 319 S C -0.609 173.906 174.600 -0.141 0.000 1.138 319 S CA -0.912 57.184 58.200 -0.173 0.000 0.855 319 S CB 1.709 64.707 63.200 -0.336 0.000 1.136 319 S HN 0.593 nan 8.310 nan 0.000 0.484 320 T N -1.022 113.470 114.554 -0.104 0.000 2.893 320 T HA 0.505 4.854 4.350 -0.001 0.000 0.293 320 T C 0.254 174.956 174.700 0.003 0.000 1.027 320 T CA -0.920 61.161 62.100 -0.032 0.000 0.988 320 T CB 1.393 70.276 68.868 0.026 0.000 1.043 320 T HN 0.477 nan 8.240 nan 0.000 0.461 321 N N 0.804 119.498 118.700 -0.009 0.000 2.289 321 N HA -0.098 4.642 4.740 -0.001 0.000 0.184 321 N C 1.337 176.866 175.510 0.032 0.000 1.016 321 N CA 0.965 54.018 53.050 0.006 0.000 0.872 321 N CB -0.050 38.438 38.487 0.003 0.000 0.973 321 N HN 0.692 nan 8.380 nan 0.000 0.433 322 E N 0.406 120.630 120.200 0.040 0.000 2.085 322 E HA -0.146 4.203 4.350 -0.001 0.000 0.194 322 E C 1.554 178.186 176.600 0.055 0.000 0.994 322 E CA 0.601 57.022 56.400 0.036 0.000 0.801 322 E CB -0.473 29.251 29.700 0.039 0.000 0.743 322 E HN 0.353 nan 8.360 nan 0.000 0.453 323 F N 0.459 120.387 119.950 -0.037 0.000 2.154 323 F HA -0.246 4.280 4.527 -0.001 0.000 0.301 323 F C 1.822 177.602 175.800 -0.035 0.000 1.087 323 F CA 1.074 59.058 58.000 -0.026 0.000 1.274 323 F CB -0.119 38.869 39.000 -0.019 0.000 1.009 323 F HN -0.119 nan 8.300 nan 0.000 0.485 324 V N 0.357 120.272 119.914 0.002 0.000 2.307 324 V HA -0.283 3.836 4.120 -0.001 0.000 0.245 324 V C 2.241 178.243 176.094 -0.154 0.000 1.045 324 V CA 2.240 64.487 62.300 -0.088 0.000 1.024 324 V CB -0.886 30.938 31.823 0.001 0.000 0.651 324 V HN 0.316 nan 8.190 nan 0.000 0.449 325 E N 0.099 120.238 120.200 -0.101 0.000 2.097 325 E HA -0.228 4.121 4.350 -0.001 0.000 0.196 325 E C 2.175 178.691 176.600 -0.140 0.000 1.000 325 E CA 1.766 58.108 56.400 -0.096 0.000 0.804 325 E CB -0.250 29.415 29.700 -0.059 0.000 0.740 325 E HN 0.567 nan 8.360 nan 0.000 0.454 326 I N 0.339 120.798 120.570 -0.184 0.000 2.179 326 I HA -0.238 3.931 4.170 -0.001 0.000 0.242 326 I C 2.375 178.332 176.117 -0.268 0.000 1.088 326 I CA 0.755 61.930 61.300 -0.208 0.000 1.357 326 I CB -0.186 37.690 38.000 -0.208 0.000 1.051 326 I HN 0.013 nan 8.210 nan 0.000 0.409 327 V N 0.897 120.571 119.914 -0.401 0.000 2.515 327 V HA -0.203 3.916 4.120 -0.001 0.000 0.250 327 V C 2.629 178.581 176.094 -0.237 0.000 1.058 327 V CA 1.567 63.649 62.300 -0.363 0.000 1.064 327 V CB -0.664 30.879 31.823 -0.466 0.000 0.675 327 V HN 0.346 nan 8.190 nan 0.000 0.461 328 R N 0.290 120.671 120.500 -0.199 0.000 2.075 328 R HA -0.101 4.238 4.340 -0.001 0.000 0.232 328 R C 1.861 178.082 176.300 -0.132 0.000 1.126 328 R CA 1.624 57.635 56.100 -0.150 0.000 0.963 328 R CB -0.651 29.579 30.300 -0.117 0.000 0.858 328 R HN 0.528 nan 8.270 nan 0.000 0.435 329 N N 0.324 118.948 118.700 -0.126 0.000 2.446 329 N HA 0.047 4.786 4.740 -0.001 0.000 0.179 329 N C 0.299 175.746 175.510 -0.103 0.000 1.054 329 N CA 0.400 53.388 53.050 -0.103 0.000 0.905 329 N CB 0.098 38.533 38.487 -0.087 0.000 0.973 329 N HN 0.168 nan 8.380 nan 0.000 0.448 330 A N 0.753 123.498 122.820 -0.125 0.000 2.475 330 A HA 0.040 4.360 4.320 -0.001 0.000 0.239 330 A C 0.752 178.276 177.584 -0.100 0.000 1.087 330 A CA 0.405 52.374 52.037 -0.113 0.000 0.779 330 A CB 0.248 19.166 19.000 -0.137 0.000 1.036 330 A HN 0.372 nan 8.150 nan 0.000 0.506 331 E N -0.545 119.604 120.200 -0.084 0.000 2.571 331 E HA 0.083 4.433 4.350 -0.001 0.000 0.222 331 E C -0.415 176.144 176.600 -0.068 0.000 0.904 331 E CA 0.089 56.444 56.400 -0.074 0.000 1.157 331 E CB 0.367 30.031 29.700 -0.059 0.000 1.158 331 E HN 0.841 nan 8.360 nan 0.000 0.540 332 N N 0.112 118.771 118.700 -0.069 0.000 2.823 332 N HA 0.053 4.793 4.740 -0.001 0.000 0.251 332 N C 0.299 175.768 175.510 -0.067 0.000 1.392 332 N CA -0.498 52.516 53.050 -0.060 0.000 0.864 332 N CB 1.600 40.060 38.487 -0.044 0.000 1.481 332 N HN 0.002 nan 8.380 nan 0.000 0.508 333 L N 0.408 121.595 121.223 -0.061 0.000 1.956 333 L HA -0.213 4.127 4.340 -0.001 0.000 0.216 333 L C 1.468 178.301 176.870 -0.062 0.000 1.073 333 L CA 2.141 56.939 54.840 -0.070 0.000 0.762 333 L CB -0.455 41.569 42.059 -0.058 0.000 0.889 333 L HN 0.514 nan 8.230 nan 0.000 0.433 334 D N -0.388 119.985 120.400 -0.045 0.000 2.116 334 D HA -0.297 4.342 4.640 -0.001 0.000 0.193 334 D C 1.988 178.267 176.300 -0.036 0.000 0.998 334 D CA 1.895 55.875 54.000 -0.034 0.000 0.836 334 D CB -0.273 40.511 40.800 -0.026 0.000 0.951 334 D HN 0.574 nan 8.370 nan 0.000 0.449 335 E N 0.127 120.301 120.200 -0.042 0.000 2.209 335 E HA -0.180 4.169 4.350 -0.001 0.000 0.196 335 E C 2.164 178.732 176.600 -0.053 0.000 0.993 335 E CA 0.351 56.724 56.400 -0.045 0.000 0.819 335 E CB 0.004 29.674 29.700 -0.050 0.000 0.745 335 E HN 0.094 nan 8.360 nan 0.000 0.477 336 L N 1.106 122.288 121.223 -0.067 0.000 2.072 336 L HA -0.119 4.220 4.340 -0.001 0.000 0.205 336 L C 1.447 178.290 176.870 -0.045 0.000 1.079 336 L CA 1.772 56.562 54.840 -0.084 0.000 0.752 336 L CB -0.102 41.886 42.059 -0.120 0.000 0.906 336 L HN -0.005 nan 8.230 nan 0.000 0.436 337 D N -1.406 118.978 120.400 -0.027 0.000 2.234 337 D HA -0.124 4.516 4.640 -0.001 0.000 0.205 337 D C 2.242 178.553 176.300 0.019 0.000 0.962 337 D CA 1.209 55.223 54.000 0.024 0.000 0.855 337 D CB 0.017 40.832 40.800 0.025 0.000 0.951 337 D HN 0.378 nan 8.370 nan 0.000 0.500 338 S N 0.207 115.904 115.700 -0.006 0.000 2.345 338 S HA -0.081 4.389 4.470 -0.001 0.000 0.220 338 S C 1.960 176.555 174.600 -0.009 0.000 1.031 338 S CA 0.652 58.847 58.200 -0.009 0.000 0.996 338 S CB -0.146 63.044 63.200 -0.017 0.000 0.882 338 S HN 0.086 nan 8.310 nan 0.000 0.445 339 M N 0.894 120.482 119.600 -0.019 0.000 2.435 339 M HA 0.005 4.484 4.480 -0.001 0.000 0.262 339 M C 0.042 176.339 176.300 -0.005 0.000 1.065 339 M CA 0.826 56.112 55.300 -0.023 0.000 1.076 339 M CB -0.376 32.196 32.600 -0.047 0.000 1.403 339 M HN 0.264 nan 8.290 nan 0.000 0.454 340 L N 1.333 122.566 121.223 0.017 0.000 2.391 340 L HA 0.099 4.438 4.340 -0.001 0.000 0.249 340 L C 0.329 177.213 176.870 0.024 0.000 1.308 340 L CA -0.063 54.805 54.840 0.047 0.000 1.209 340 L CB -0.634 41.487 42.059 0.103 0.000 1.401 340 L HN 0.127 nan 8.230 nan 0.000 0.416 341 E N 2.979 123.186 120.200 0.013 0.000 2.073 341 E HA 0.339 4.688 4.350 -0.001 0.000 0.269 341 E C -0.309 176.295 176.600 0.006 0.000 0.917 341 E CA -0.596 55.806 56.400 0.003 0.000 0.757 341 E CB 0.830 30.529 29.700 -0.002 0.000 1.111 341 E HN 0.440 nan 8.360 nan 0.000 0.410 350 S N 1.098 116.807 115.700 0.015 0.000 3.576 350 S HA -0.097 4.372 4.470 -0.001 0.000 0.658 350 S C -0.252 174.364 174.600 0.027 0.000 0.560 350 S CA 0.013 58.225 58.200 0.020 0.000 1.438 350 S CB -1.143 62.072 63.200 0.025 0.000 0.937 350 S HN 0.876 nan 8.310 nan 0.000 0.998 351 V N 6.173 126.097 119.914 0.017 0.000 2.617 351 V HA 0.456 4.575 4.120 -0.001 0.000 0.304 351 V C 1.321 177.479 176.094 0.106 0.000 1.040 351 V CA 1.122 63.446 62.300 0.039 0.000 1.149 351 V CB 0.636 32.453 31.823 -0.009 0.000 0.914 351 V HN 1.075 nan 8.190 nan 0.000 0.487 352 T N 1.244 115.830 114.554 0.054 0.000 2.831 352 T HA 0.203 4.553 4.350 -0.001 0.000 0.287 352 T C 1.117 175.575 174.700 -0.402 0.000 1.070 352 T CA -0.082 61.909 62.100 -0.182 0.000 1.010 352 T CB 1.280 70.068 68.868 -0.132 0.000 1.264 352 T HN 0.835 nan 8.240 nan 0.000 0.532 353 C N -1.510 117.194 119.300 -0.992 0.000 2.460 353 C HA 0.229 4.688 4.460 -0.001 0.000 0.291 353 C C 1.296 175.960 174.990 -0.544 0.000 1.493 353 C CA -0.541 57.969 59.018 -0.848 0.000 1.748 353 C CB -2.373 24.747 27.740 -1.033 0.000 1.656 353 C HN 0.747 nan 8.230 nan 0.000 0.576 354 W N 0.445 121.663 121.300 -0.136 0.000 2.991 354 W HA 0.309 4.968 4.660 -0.001 0.000 0.391 354 W C 1.814 178.322 176.519 -0.017 0.000 1.054 354 W CA -0.347 56.970 57.345 -0.047 0.000 1.856 354 W CB 0.104 29.530 29.460 -0.056 0.000 1.132 354 W HN 0.083 nan 8.180 nan 0.000 0.601 355 S N 0.838 116.632 115.700 0.157 0.000 2.556 355 S HA 0.048 4.517 4.470 -0.001 0.000 0.216 355 S C 0.375 175.041 174.600 0.111 0.000 0.970 355 S CA 0.161 58.435 58.200 0.124 0.000 0.912 355 S CB -0.091 63.163 63.200 0.090 0.000 0.790 355 S HN 0.238 nan 8.310 nan 0.000 0.504 356 Q N 0.148 120.017 119.800 0.115 0.000 2.647 356 Q HA 0.334 4.673 4.340 -0.001 0.000 0.283 356 Q C -3.623 172.438 176.000 0.102 0.000 0.943 356 Q CA -1.912 53.943 55.803 0.086 0.000 0.813 356 Q CB 0.521 29.316 28.738 0.095 0.000 1.477 356 Q HN -0.082 nan 8.270 nan 0.000 0.393 357 P HA 0.344 nan 4.420 nan 0.000 0.270 357 P C -0.587 176.815 177.300 0.169 0.000 1.223 357 P CA -0.209 62.970 63.100 0.133 0.000 0.785 357 P CB 0.783 32.541 31.700 0.096 0.000 0.923 358 L N 1.488 122.848 121.223 0.228 0.000 2.470 358 L HA 0.399 4.739 4.340 -0.001 0.000 0.268 358 L C -0.554 176.494 176.870 0.297 0.000 0.964 358 L CA -0.881 54.077 54.840 0.197 0.000 0.839 358 L CB 1.970 44.144 42.059 0.193 0.000 1.276 358 L HN 0.283 nan 8.230 nan 0.000 0.403 359 F N 4.043 124.000 119.950 0.012 0.000 2.385 359 F HA 0.591 5.118 4.527 -0.001 0.000 0.360 359 F C -1.086 174.677 175.800 -0.063 0.000 1.122 359 F CA -0.923 57.120 58.000 0.072 0.000 1.090 359 F CB 0.518 39.564 39.000 0.077 0.000 1.150 359 F HN 0.084 nan 8.300 nan 0.000 0.472 360 F N 4.908 124.611 119.950 -0.411 0.000 2.450 360 F HA 0.588 5.114 4.527 -0.001 0.000 0.332 360 F C -0.446 174.887 175.800 -0.778 0.000 1.093 360 F CA -1.064 56.595 58.000 -0.567 0.000 1.003 360 F CB 1.841 40.476 39.000 -0.608 0.000 1.151 360 F HN 0.074 nan 8.300 nan 0.000 0.474 361 V N 2.969 122.646 119.914 -0.395 0.000 2.313 361 V HA 0.197 4.316 4.120 -0.001 0.000 0.278 361 V C -0.142 175.879 176.094 -0.122 0.000 1.017 361 V CA -1.071 61.044 62.300 -0.308 0.000 0.823 361 V CB 1.106 32.833 31.823 -0.159 0.000 1.010 361 V HN 0.780 nan 8.190 nan 0.000 0.443 362 N N 4.855 123.461 118.700 -0.157 0.000 2.399 362 N HA 0.201 4.940 4.740 -0.001 0.000 0.259 362 N C 0.734 176.335 175.510 0.152 0.000 1.160 362 N CA -0.486 52.629 53.050 0.107 0.000 0.946 362 N CB 0.826 39.349 38.487 0.061 0.000 1.156 362 N HN 0.675 nan 8.380 nan 0.000 0.489 363 L N 2.625 123.984 121.223 0.227 0.000 2.478 363 L HA -0.035 4.304 4.340 -0.001 0.000 0.223 363 L C 2.433 179.388 176.870 0.142 0.000 1.140 363 L CA 0.087 54.983 54.840 0.094 0.000 0.842 363 L CB -0.269 41.851 42.059 0.102 0.000 0.953 363 L HN 0.547 nan 8.230 nan 0.000 0.452 364 S N 0.471 116.336 115.700 0.276 0.000 2.419 364 S HA -0.227 4.243 4.470 -0.001 0.000 0.235 364 S C 2.031 176.696 174.600 0.109 0.000 1.019 364 S CA 1.635 59.957 58.200 0.203 0.000 0.982 364 S CB 0.049 63.416 63.200 0.277 0.000 0.789 364 S HN 0.465 nan 8.310 nan 0.000 0.490 365 K N 0.254 120.722 120.400 0.113 0.000 2.099 365 K HA 0.016 4.335 4.320 -0.001 0.000 0.203 365 K C 2.286 178.904 176.600 0.030 0.000 1.047 365 K CA 1.364 57.686 56.287 0.059 0.000 0.963 365 K CB -0.272 32.259 32.500 0.052 0.000 0.759 365 K HN 0.473 nan 8.250 nan 0.000 0.451 366 S N -0.546 115.156 115.700 0.004 0.000 2.404 366 S HA -0.081 4.388 4.470 -0.001 0.000 0.223 366 S C 1.999 176.601 174.600 0.002 0.000 1.040 366 S CA 1.138 59.332 58.200 -0.010 0.000 0.957 366 S CB -0.164 62.983 63.200 -0.088 0.000 0.826 366 S HN 0.492 nan 8.310 nan 0.000 0.491 367 T N -3.464 111.083 114.554 -0.012 0.000 3.000 367 T HA 0.550 4.899 4.350 -0.001 0.000 0.248 367 T C 1.662 176.376 174.700 0.023 0.000 1.034 367 T CA 0.811 62.922 62.100 0.017 0.000 1.060 367 T CB 0.132 69.013 68.868 0.021 0.000 0.983 367 T HN 1.179 nan 8.240 nan 0.000 0.482 368 G N 0.991 109.811 108.800 0.032 0.000 2.194 368 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.236 368 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.236 368 G C 0.023 174.949 174.900 0.043 0.000 0.987 368 G CA -0.132 44.984 45.100 0.026 0.000 0.635 368 G HN 0.739 nan 8.290 nan 0.000 0.520 369 V N 1.455 121.413 119.914 0.073 0.000 2.530 369 V HA 0.577 4.696 4.120 -0.001 0.000 0.282 369 V C 1.445 177.665 176.094 0.210 0.000 1.048 369 V CA 0.307 62.675 62.300 0.113 0.000 0.997 369 V CB 1.440 33.318 31.823 0.092 0.000 0.987 369 V HN 1.120 nan 8.190 nan 0.000 0.477 370 A N 4.067 127.018 122.820 0.218 0.000 2.711 370 A HA 0.391 4.711 4.320 -0.001 0.000 0.242 370 A C 0.719 178.610 177.584 0.510 0.000 1.607 370 A CA 0.190 52.415 52.037 0.312 0.000 1.370 370 A CB -0.653 18.473 19.000 0.211 0.000 0.934 370 A HN 0.697 nan 8.150 nan 0.000 0.628 371 S N -0.993 115.003 115.700 0.494 0.000 2.569 371 S HA 0.679 5.148 4.470 -0.001 0.000 0.280 371 S C -0.775 174.150 174.600 0.542 0.000 1.111 371 S CA -0.456 58.038 58.200 0.489 0.000 0.887 371 S CB 1.251 64.760 63.200 0.515 0.000 1.095 371 S HN 0.391 nan 8.310 nan 0.000 0.476 372 F N 2.156 122.315 119.950 0.349 0.000 2.415 372 F HA 0.461 4.987 4.527 -0.001 0.000 0.348 372 F C 0.221 176.147 175.800 0.209 0.000 1.119 372 F CA -0.840 57.309 58.000 0.249 0.000 1.069 372 F CB 1.282 40.476 39.000 0.322 0.000 1.124 372 F HN 0.258 nan 8.300 nan 0.000 0.472 373 M N 7.147 126.911 119.600 0.274 0.000 2.055 373 M HA 0.343 4.822 4.480 -0.001 0.000 0.346 373 M C -1.096 175.183 176.300 -0.036 0.000 1.074 373 M CA -0.350 55.021 55.300 0.120 0.000 1.009 373 M CB 0.954 33.642 32.600 0.146 0.000 1.423 373 M HN 0.672 nan 8.290 nan 0.000 0.410 374 M N 4.390 123.919 119.600 -0.118 0.000 2.277 374 M HA 0.450 4.929 4.480 -0.001 0.000 0.350 374 M C -1.878 174.304 176.300 -0.197 0.000 1.180 374 M CA -0.663 54.386 55.300 -0.418 0.000 1.103 374 M CB 1.085 33.258 32.600 -0.713 0.000 1.577 374 M HN 0.688 nan 8.290 nan 0.000 0.459 375 L N 6.086 127.238 121.223 -0.118 0.000 2.313 375 L HA 0.582 4.921 4.340 -0.001 0.000 0.283 375 L C -0.382 176.543 176.870 0.091 0.000 1.013 375 L CA -0.109 54.794 54.840 0.106 0.000 0.816 375 L CB 1.829 44.096 42.059 0.347 0.000 1.236 375 L HN 0.792 nan 8.230 nan 0.000 0.419 376 M N 2.241 121.906 119.600 0.109 0.000 2.662 376 M HA 0.758 5.237 4.480 -0.001 0.000 0.310 376 M C -0.981 175.400 176.300 0.136 0.000 1.204 376 M CA -0.761 54.618 55.300 0.131 0.000 0.891 376 M CB 2.212 34.907 32.600 0.159 0.000 1.732 376 M HN 0.506 nan 8.290 nan 0.000 0.467 377 Q N 1.858 121.736 119.800 0.131 0.000 2.378 377 Q HA 0.817 5.156 4.340 -0.001 0.000 0.276 377 Q C -1.278 174.785 176.000 0.105 0.000 1.083 377 Q CA -0.764 55.108 55.803 0.116 0.000 0.856 377 Q CB 1.624 30.433 28.738 0.119 0.000 1.383 377 Q HN 0.936 nan 8.270 nan 0.000 0.458 378 A N 1.695 124.570 122.820 0.092 0.000 2.386 378 A HA 0.410 4.729 4.320 -0.001 0.000 0.248 378 A C -1.649 175.979 177.584 0.074 0.000 1.082 378 A CA -0.945 51.141 52.037 0.082 0.000 0.789 378 A CB -0.136 18.913 19.000 0.081 0.000 1.025 378 A HN 0.762 nan 8.150 nan 0.000 0.490 379 P HA -0.024 nan 4.420 nan 0.000 0.245 379 P C 1.273 178.611 177.300 0.064 0.000 1.206 379 P CA 0.109 63.241 63.100 0.054 0.000 0.781 379 P CB 0.171 31.890 31.700 0.033 0.000 0.994 380 L N 1.165 122.429 121.223 0.068 0.000 2.012 380 L HA -0.138 4.201 4.340 -0.001 0.000 0.210 380 L C 2.232 179.152 176.870 0.083 0.000 1.073 380 L CA 2.333 57.209 54.840 0.061 0.000 0.748 380 L CB -1.815 40.305 42.059 0.102 0.000 0.891 380 L HN -0.066 nan 8.230 nan 0.000 0.431 381 T N -0.280 114.334 114.554 0.100 0.000 2.649 381 T HA -0.293 4.056 4.350 -0.001 0.000 0.268 381 T C 1.721 176.470 174.700 0.082 0.000 1.036 381 T CA 2.018 64.178 62.100 0.100 0.000 1.157 381 T CB -0.507 68.425 68.868 0.106 0.000 0.861 381 T HN 0.498 nan 8.240 nan 0.000 0.445 382 N N 0.292 119.041 118.700 0.081 0.000 2.080 382 N HA -0.158 4.581 4.740 -0.001 0.000 0.189 382 N C 1.865 177.401 175.510 0.042 0.000 1.036 382 N CA 1.443 54.530 53.050 0.061 0.000 0.846 382 N CB -0.356 38.170 38.487 0.064 0.000 1.015 382 N HN 0.450 nan 8.380 nan 0.000 0.423 383 H N 0.354 119.398 119.070 -0.043 0.000 2.390 383 H HA -0.108 4.447 4.556 -0.001 0.000 0.298 383 H C 1.656 176.907 175.328 -0.128 0.000 1.106 383 H CA 1.514 57.508 56.048 -0.089 0.000 1.297 383 H CB -0.077 29.612 29.762 -0.121 0.000 1.375 383 H HN 0.235 nan 8.280 nan 0.000 0.509 384 I N 1.299 121.916 120.570 0.078 0.000 2.193 384 I HA -0.171 3.999 4.170 -0.001 0.000 0.240 384 I C 2.463 178.565 176.117 -0.025 0.000 1.084 384 I CA 0.914 62.226 61.300 0.020 0.000 1.365 384 I CB -1.146 36.903 38.000 0.081 0.000 1.064 384 I HN 0.310 nan 8.210 nan 0.000 0.410 385 E N 1.034 121.226 120.200 -0.013 0.000 2.110 385 E HA -0.191 4.158 4.350 -0.001 0.000 0.193 385 E C 2.119 178.679 176.600 -0.067 0.000 0.988 385 E CA 1.742 58.118 56.400 -0.039 0.000 0.804 385 E CB -0.183 29.506 29.700 -0.019 0.000 0.745 385 E HN 0.506 nan 8.360 nan 0.000 0.458 386 S N 1.222 116.873 115.700 -0.081 0.000 2.537 386 S HA -0.110 4.360 4.470 -0.001 0.000 0.240 386 S C 1.773 176.295 174.600 -0.131 0.000 0.981 386 S CA 0.914 59.052 58.200 -0.103 0.000 0.948 386 S CB -0.581 62.548 63.200 -0.119 0.000 0.759 386 S HN 0.476 nan 8.310 nan 0.000 0.531 387 I N -1.552 118.933 120.570 -0.142 0.000 4.102 387 I HA 0.379 4.548 4.170 -0.001 0.000 0.325 387 I C 1.502 177.573 176.117 -0.077 0.000 1.471 387 I CA -0.695 60.529 61.300 -0.127 0.000 1.133 387 I CB 0.151 38.041 38.000 -0.182 0.000 1.184 387 I HN 0.123 nan 8.210 nan 0.000 0.451 388 R N 0.944 121.400 120.500 -0.074 0.000 2.397 388 R HA -0.083 4.256 4.340 -0.001 0.000 0.213 388 R C 0.709 176.971 176.300 -0.064 0.000 1.102 388 R CA 1.344 57.404 56.100 -0.067 0.000 1.040 388 R CB -0.349 29.899 30.300 -0.086 0.000 0.844 388 R HN 0.388 nan 8.270 nan 0.000 0.478 389 E N 0.574 120.741 120.200 -0.055 0.000 2.603 389 E HA 0.052 4.401 4.350 -0.001 0.000 0.211 389 E C -0.903 175.678 176.600 -0.031 0.000 0.995 389 E CA -0.097 56.275 56.400 -0.047 0.000 0.990 389 E CB 0.530 30.202 29.700 -0.046 0.000 1.036 389 E HN 0.207 nan 8.360 nan 0.000 0.475 390 D N 0.099 120.485 120.400 -0.022 0.000 2.930 390 D HA 0.101 4.741 4.640 -0.001 0.000 0.304 390 D C 0.699 177.015 176.300 0.027 0.000 1.298 390 D CA -0.159 53.840 54.000 -0.002 0.000 0.949 390 D CB 0.156 40.952 40.800 -0.007 0.000 1.013 390 D HN -0.183 nan 8.370 nan 0.000 0.510 391 K N 0.345 120.755 120.400 0.017 0.000 2.090 391 K HA -0.212 4.108 4.320 -0.001 0.000 0.218 391 K C 1.641 178.310 176.600 0.114 0.000 1.055 391 K CA 1.378 57.687 56.287 0.037 0.000 0.941 391 K CB -0.002 32.492 32.500 -0.011 0.000 0.722 391 K HN 0.277 nan 8.250 nan 0.000 0.458 392 E N -0.176 120.086 120.200 0.103 0.000 2.153 392 E HA -0.176 4.173 4.350 -0.001 0.000 0.194 392 E C 2.142 178.873 176.600 0.220 0.000 0.988 392 E CA 0.785 57.291 56.400 0.176 0.000 0.811 392 E CB -0.126 29.646 29.700 0.119 0.000 0.746 392 E HN 0.322 nan 8.360 nan 0.000 0.466 393 R N 0.522 121.114 120.500 0.153 0.000 2.075 393 R HA -0.059 4.281 4.340 -0.001 0.000 0.232 393 R C 2.522 178.948 176.300 0.210 0.000 1.126 393 R CA 0.710 56.899 56.100 0.148 0.000 0.963 393 R CB -0.165 30.187 30.300 0.086 0.000 0.858 393 R HN 0.116 nan 8.270 nan 0.000 0.435 394 L N -0.028 121.332 121.223 0.229 0.000 1.970 394 L HA -0.219 4.121 4.340 -0.001 0.000 0.212 394 L C 2.416 179.599 176.870 0.521 0.000 1.071 394 L CA 1.561 56.613 54.840 0.352 0.000 0.751 394 L CB -0.769 41.461 42.059 0.285 0.000 0.889 394 L HN 0.205 nan 8.230 nan 0.000 0.432 395 F N 0.814 120.944 119.950 0.300 0.000 2.087 395 F HA -0.315 4.211 4.527 -0.001 0.000 0.299 395 F C 2.652 178.609 175.800 0.261 0.000 1.100 395 F CA 2.034 60.214 58.000 0.300 0.000 1.226 395 F CB -0.476 38.624 39.000 0.166 0.000 0.983 395 F HN -0.054 nan 8.300 nan 0.000 0.479 396 S N -0.077 115.656 115.700 0.053 0.000 2.383 396 S HA -0.170 4.299 4.470 -0.001 0.000 0.227 396 S C 1.817 176.370 174.600 -0.078 0.000 1.026 396 S CA 1.092 59.226 58.200 -0.109 0.000 0.981 396 S CB -0.804 62.423 63.200 0.046 0.000 0.818 396 S HN 0.514 nan 8.310 nan 0.000 0.472 397 F N 1.345 121.234 119.950 -0.103 0.000 2.102 397 F HA -0.067 4.460 4.527 -0.001 0.000 0.298 397 F C 1.408 176.990 175.800 -0.364 0.000 1.105 397 F CA 1.428 59.274 58.000 -0.257 0.000 1.239 397 F CB -0.311 38.471 39.000 -0.364 0.000 0.991 397 F HN 0.185 nan 8.300 nan 0.000 0.474 398 F N -0.141 119.826 119.950 0.028 0.000 2.776 398 F HA 0.063 4.590 4.527 -0.001 0.000 0.300 398 F C 2.348 177.997 175.800 -0.252 0.000 1.116 398 F CA 0.439 58.389 58.000 -0.082 0.000 1.375 398 F CB -0.649 38.521 39.000 0.283 0.000 1.109 398 F HN 0.044 nan 8.300 nan 0.000 0.585 399 Q N 1.442 121.104 119.800 -0.229 0.000 2.045 399 Q HA -0.217 4.122 4.340 -0.001 0.000 0.206 399 Q C -0.750 175.128 176.000 -0.203 0.000 0.991 399 Q CA 2.301 57.883 55.803 -0.368 0.000 0.851 399 Q CB -1.104 27.276 28.738 -0.596 0.000 0.911 399 Q HN 0.176 nan 8.270 nan 0.000 0.418 400 P HA -0.204 nan 4.420 nan 0.000 0.215 400 P C 1.483 178.733 177.300 -0.084 0.000 1.163 400 P CA 2.399 65.471 63.100 -0.047 0.000 0.894 400 P CB -0.289 31.419 31.700 0.012 0.000 0.791 401 V N -3.516 116.175 119.914 -0.371 0.000 2.548 401 V HA -0.166 3.953 4.120 -0.001 0.000 0.249 401 V C 2.221 178.129 176.094 -0.309 0.000 1.055 401 V CA 1.481 63.494 62.300 -0.478 0.000 1.065 401 V CB -1.804 29.676 31.823 -0.572 0.000 0.681 401 V HN 0.008 nan 8.190 nan 0.000 0.462 402 L N 0.592 121.676 121.223 -0.231 0.000 2.027 402 L HA -0.081 4.258 4.340 -0.001 0.000 0.206 402 L C 2.765 179.559 176.870 -0.127 0.000 1.074 402 L CA 1.873 56.586 54.840 -0.212 0.000 0.745 402 L CB -0.921 41.069 42.059 -0.114 0.000 0.898 402 L HN 0.320 nan 8.230 nan 0.000 0.433 403 N N 0.232 118.895 118.700 -0.061 0.000 2.166 403 N HA -0.200 4.539 4.740 -0.001 0.000 0.186 403 N C 1.817 177.323 175.510 -0.007 0.000 1.019 403 N CA 1.108 54.152 53.050 -0.011 0.000 0.856 403 N CB -0.204 38.295 38.487 0.019 0.000 0.993 403 N HN 0.140 nan 8.380 nan 0.000 0.426 404 K N 1.205 121.616 120.400 0.018 0.000 2.097 404 K HA 0.117 4.437 4.320 -0.001 0.000 0.205 404 K C 1.930 178.510 176.600 -0.033 0.000 1.050 404 K CA 0.599 56.925 56.287 0.065 0.000 0.938 404 K CB -0.338 32.323 32.500 0.267 0.000 0.718 404 K HN 0.136 nan 8.250 nan 0.000 0.442 405 I N 0.077 120.552 120.570 -0.159 0.000 2.179 405 I HA -0.275 3.894 4.170 -0.001 0.000 0.242 405 I C 1.938 177.955 176.117 -0.166 0.000 1.088 405 I CA 0.981 62.123 61.300 -0.264 0.000 1.357 405 I CB -0.150 37.524 38.000 -0.544 0.000 1.051 405 I HN 0.193 nan 8.210 nan 0.000 0.409 406 M N 0.046 119.573 119.600 -0.122 0.000 2.175 406 M HA -0.201 4.278 4.480 -0.001 0.000 0.264 406 M C 2.251 178.551 176.300 0.001 0.000 1.063 406 M CA 1.546 56.819 55.300 -0.044 0.000 1.119 406 M CB -1.199 31.380 32.600 -0.035 0.000 1.377 406 M HN 0.174 nan 8.290 nan 0.000 0.415 407 K N -0.172 120.224 120.400 -0.006 0.000 2.097 407 K HA -0.129 4.190 4.320 -0.001 0.000 0.206 407 K C 1.673 178.278 176.600 0.008 0.000 1.049 407 K CA 1.368 57.661 56.287 0.010 0.000 0.933 407 K CB 0.093 32.603 32.500 0.018 0.000 0.717 407 K HN 0.345 nan 8.250 nan 0.000 0.442 408 C N 0.538 119.834 119.300 -0.007 0.000 2.618 408 C HA 0.218 4.677 4.460 -0.001 0.000 0.264 408 C C 1.308 176.296 174.990 -0.004 0.000 1.334 408 C CA -0.199 58.815 59.018 -0.006 0.000 1.731 408 C CB -0.469 27.263 27.740 -0.014 0.000 1.852 408 C HN 0.402 nan 8.230 nan 0.000 0.566 409 L N 0.847 122.074 121.223 0.006 0.000 3.062 409 L HA 0.206 4.546 4.340 -0.001 0.000 0.255 409 L C 0.035 176.953 176.870 0.080 0.000 1.274 409 L CA 0.103 54.971 54.840 0.047 0.000 1.047 409 L CB -0.347 41.751 42.059 0.066 0.000 1.402 409 L HN 0.246 nan 8.230 nan 0.000 0.550 410 D N 1.312 121.741 120.400 0.048 0.000 2.927 410 D HA -0.199 4.440 4.640 -0.001 0.000 0.236 410 D C -0.327 176.006 176.300 0.056 0.000 1.163 410 D CA 0.975 55.001 54.000 0.043 0.000 0.801 410 D CB -0.220 40.600 40.800 0.034 0.000 0.975 410 D HN 0.421 nan 8.370 nan 0.000 0.413 411 S N 0.477 116.209 115.700 0.054 0.000 2.703 411 S HA 0.590 5.060 4.470 -0.001 0.000 0.273 411 S C -1.206 173.420 174.600 0.045 0.000 1.178 411 S CA -0.601 57.634 58.200 0.059 0.000 0.838 411 S CB 1.435 64.698 63.200 0.105 0.000 1.178 411 S HN 0.234 nan 8.310 nan 0.000 0.494 412 E N 0.568 120.797 120.200 0.048 0.000 2.299 412 E HA 0.386 4.735 4.350 -0.001 0.000 0.260 412 E C -1.411 175.222 176.600 0.056 0.000 0.944 412 E CA -1.012 55.416 56.400 0.046 0.000 0.815 412 E CB 0.554 30.281 29.700 0.045 0.000 1.252 412 E HN 0.536 nan 8.360 nan 0.000 0.418 413 D N 0.944 121.380 120.400 0.061 0.000 2.601 413 D HA -0.033 4.606 4.640 -0.001 0.000 0.229 413 D C -0.315 176.058 176.300 0.123 0.000 1.140 413 D CA 0.388 54.436 54.000 0.081 0.000 0.862 413 D CB 0.433 41.282 40.800 0.080 0.000 1.192 413 D HN -0.011 nan 8.370 nan 0.000 0.480 414 V N 3.162 123.181 119.914 0.174 0.000 2.811 414 V HA 0.115 4.235 4.120 -0.001 0.000 0.302 414 V C 0.861 177.136 176.094 0.303 0.000 1.063 414 V CA -0.255 62.215 62.300 0.282 0.000 1.088 414 V CB 0.704 32.796 31.823 0.448 0.000 0.982 414 V HN 0.309 nan 8.190 nan 0.000 0.485 415 I N 2.734 123.450 120.570 0.243 0.000 2.377 415 I HA 0.285 4.454 4.170 -0.001 0.000 0.293 415 I C -0.194 175.928 176.117 0.009 0.000 0.987 415 I CA -0.546 60.843 61.300 0.148 0.000 1.185 415 I CB 1.601 39.657 38.000 0.093 0.000 1.341 415 I HN 0.528 nan 8.210 nan 0.000 0.455 416 D N 5.483 125.803 120.400 -0.133 0.000 2.374 416 D HA 0.211 4.851 4.640 -0.001 0.000 0.240 416 D C 0.575 176.710 176.300 -0.275 0.000 1.229 416 D CA -0.007 53.689 54.000 -0.507 0.000 0.895 416 D CB 0.974 41.359 40.800 -0.692 0.000 1.046 416 D HN 0.739 nan 8.370 nan 0.000 0.498 417 G N 3.692 112.339 108.800 -0.255 0.000 4.331 417 G HA2 0.086 4.046 3.960 -0.001 0.000 0.299 417 G HA3 0.086 4.046 3.960 -0.001 0.000 0.299 417 G C 1.205 175.987 174.900 -0.198 0.000 1.158 417 G CA -0.239 44.761 45.100 -0.167 0.000 0.916 417 G HN 0.421 nan 8.290 nan 0.000 0.553 418 M N -0.130 119.325 119.600 -0.241 0.000 2.081 418 M HA 0.136 4.616 4.480 -0.001 0.000 0.261 418 M C 1.167 177.389 176.300 -0.130 0.000 1.075 418 M CA 1.037 56.209 55.300 -0.212 0.000 1.133 418 M CB -0.028 32.435 32.600 -0.228 0.000 1.330 418 M HN 0.006 nan 8.290 nan 0.000 0.414 419 R N 1.455 121.892 120.500 -0.104 0.000 2.205 419 R HA 0.242 4.581 4.340 -0.001 0.000 0.342 419 R C -2.257 174.015 176.300 -0.046 0.000 1.058 419 R CA -1.715 54.349 56.100 -0.060 0.000 0.904 419 R CB -0.345 29.927 30.300 -0.046 0.000 1.089 419 R HN 0.009 nan 8.270 nan 0.000 0.471 420 P HA -0.208 nan 4.420 nan 0.000 0.056 420 P C -0.838 176.454 177.300 -0.013 0.000 0.542 420 P CA 1.179 64.272 63.100 -0.013 0.000 1.074 420 P CB -0.184 31.515 31.700 -0.001 0.000 1.758 421 I N 1.619 122.177 120.570 -0.020 0.000 2.330 421 I HA 0.222 4.391 4.170 -0.001 0.000 0.289 421 I C 0.913 177.027 176.117 -0.005 0.000 1.001 421 I CA -0.849 60.442 61.300 -0.014 0.000 1.193 421 I CB 1.424 39.409 38.000 -0.025 0.000 1.345 421 I HN 0.050 nan 8.210 nan 0.000 0.461 422 E N 6.682 126.884 120.200 0.002 0.000 2.319 422 E HA 0.441 4.790 4.350 -0.001 0.000 0.268 422 E C -0.690 175.916 176.600 0.009 0.000 1.050 422 E CA -0.184 56.221 56.400 0.008 0.000 0.878 422 E CB 0.879 30.584 29.700 0.008 0.000 1.066 422 E HN 0.585 nan 8.360 nan 0.000 0.406 423 N N 3.148 121.855 118.700 0.012 0.000 5.988 423 N HA -0.010 4.729 4.740 -0.001 0.000 0.133 423 N C -1.206 174.313 175.510 0.016 0.000 0.983 423 N CA -0.208 52.850 53.050 0.014 0.000 1.191 423 N CB 0.049 38.545 38.487 0.015 0.000 1.440 423 N HN 0.534 nan 8.380 nan 0.000 1.002 424 I N 1.317 121.896 120.570 0.014 0.000 3.884 424 I HA 0.234 4.403 4.170 -0.001 0.000 0.330 424 I C 1.150 177.276 176.117 0.014 0.000 1.451 424 I CA 0.089 61.397 61.300 0.014 0.000 1.165 424 I CB 0.200 38.206 38.000 0.011 0.000 1.097 424 I HN 0.513 nan 8.210 nan 0.000 0.404 425 A N 1.675 124.506 122.820 0.017 0.000 3.282 425 A HA 0.405 4.724 4.320 -0.001 0.000 0.287 425 A C -0.110 177.488 177.584 0.022 0.000 1.366 425 A CA -0.239 51.809 52.037 0.018 0.000 1.069 425 A CB -0.472 18.539 19.000 0.018 0.000 1.109 425 A HN 0.318 nan 8.150 nan 0.000 0.638 426 N N 0.210 118.923 118.700 0.022 0.000 2.653 426 N HA 0.410 5.149 4.740 -0.001 0.000 0.261 426 N C 0.182 175.705 175.510 0.021 0.000 1.216 426 N CA 0.397 53.464 53.050 0.028 0.000 0.784 426 N CB 1.789 40.298 38.487 0.037 0.000 1.327 426 N HN 0.285 nan 8.380 nan 0.000 0.539 427 A N 1.020 123.848 122.820 0.013 0.000 2.009 427 A HA 0.217 4.537 4.320 -0.001 0.000 0.197 427 A C 1.018 178.596 177.584 -0.010 0.000 1.471 427 A CA 0.196 52.234 52.037 0.001 0.000 0.973 427 A CB 0.394 19.392 19.000 -0.002 0.000 1.020 427 A HN 0.344 nan 8.150 nan 0.000 0.476 428 N N 0.166 118.864 118.700 -0.003 0.000 2.171 428 N HA 0.139 4.878 4.740 -0.001 0.000 0.212 428 N C -0.654 174.861 175.510 0.008 0.000 1.184 428 N CA 0.141 53.185 53.050 -0.010 0.000 0.888 428 N CB 0.782 39.265 38.487 -0.007 0.000 1.038 428 N HN 0.382 nan 8.380 nan 0.000 0.517 429 K N 2.512 122.927 120.400 0.025 0.000 2.240 429 K HA 0.308 4.628 4.320 -0.001 0.000 0.271 429 K C -2.459 174.185 176.600 0.073 0.000 1.018 429 K CA -1.616 54.702 56.287 0.051 0.000 0.874 429 K CB 1.663 34.197 32.500 0.057 0.000 1.098 429 K HN -0.028 nan 8.250 nan 0.000 0.458 430 P HA 0.010 nan 4.420 nan 0.000 0.268 430 P C -0.578 176.884 177.300 0.268 0.000 1.204 430 P CA -0.203 62.986 63.100 0.149 0.000 0.768 430 P CB 0.881 32.610 31.700 0.048 0.000 0.842 431 V N 5.156 125.268 119.914 0.330 0.000 2.409 431 V HA 0.179 4.298 4.120 -0.001 0.000 0.291 431 V C 0.323 176.552 176.094 0.226 0.000 1.020 431 V CA -0.874 61.570 62.300 0.239 0.000 0.848 431 V CB 1.565 33.452 31.823 0.106 0.000 0.990 431 V HN 0.430 nan 8.190 nan 0.000 0.430 432 L N 6.737 127.961 121.223 0.003 0.000 2.281 432 L HA 0.498 4.837 4.340 -0.001 0.000 0.285 432 L C 1.123 177.764 176.870 -0.382 0.000 1.074 432 L CA 0.592 55.186 54.840 -0.409 0.000 0.817 432 L CB 0.713 42.528 42.059 -0.408 0.000 1.168 432 L HN 0.492 nan 8.230 nan 0.000 0.434 433 R N 2.980 123.185 120.500 -0.491 0.000 2.167 433 R HA 0.293 4.633 4.340 -0.001 0.000 0.201 433 R C 0.107 176.104 176.300 -0.504 0.000 1.024 433 R CA 0.328 56.069 56.100 -0.597 0.000 1.053 433 R CB -0.167 29.393 30.300 -1.233 0.000 0.987 433 R HN 0.776 nan 8.270 nan 0.000 0.493 434 N N -0.241 118.191 118.700 -0.447 0.000 2.484 434 N HA 0.363 5.102 4.740 -0.001 0.000 0.269 434 N C -1.557 173.784 175.510 -0.282 0.000 1.237 434 N CA -0.452 52.420 53.050 -0.297 0.000 0.838 434 N CB 2.076 40.434 38.487 -0.214 0.000 1.593 434 N HN -0.179 nan 8.380 nan 0.000 0.485 435 I N 2.884 123.306 120.570 -0.246 0.000 2.466 435 I HA 0.459 4.628 4.170 -0.001 0.000 0.289 435 I C -0.518 175.422 176.117 -0.294 0.000 1.026 435 I CA -0.593 60.510 61.300 -0.329 0.000 1.078 435 I CB 1.967 39.801 38.000 -0.276 0.000 1.249 435 I HN 0.385 nan 8.210 nan 0.000 0.429 436 I N 6.051 126.403 120.570 -0.364 0.000 2.648 436 I HA 0.647 4.816 4.170 -0.001 0.000 0.304 436 I C -0.767 175.174 176.117 -0.294 0.000 1.009 436 I CA -1.002 60.126 61.300 -0.286 0.000 1.114 436 I CB 2.253 40.075 38.000 -0.296 0.000 1.293 436 I HN 0.153 nan 8.210 nan 0.000 0.449 437 V N 2.252 122.034 119.914 -0.219 0.000 2.888 437 V HA 0.330 4.450 4.120 -0.001 0.000 0.309 437 V C -0.030 175.951 176.094 -0.188 0.000 1.114 437 V CA -0.799 61.385 62.300 -0.193 0.000 0.940 437 V CB 2.064 33.798 31.823 -0.148 0.000 1.021 437 V HN 0.928 nan 8.190 nan 0.000 0.426 438 S N 1.792 117.391 115.700 -0.169 0.000 2.617 438 S HA 0.258 4.728 4.470 -0.001 0.000 0.255 438 S C 0.380 174.803 174.600 -0.296 0.000 1.318 438 S CA 0.090 58.128 58.200 -0.271 0.000 0.978 438 S CB 0.634 63.764 63.200 -0.116 0.000 0.961 438 S HN 0.925 nan 8.310 nan 0.000 0.582 439 N N -1.601 116.804 118.700 -0.491 0.000 2.193 439 N HA 0.134 4.873 4.740 -0.001 0.000 0.236 439 N C -0.064 175.327 175.510 -0.198 0.000 1.347 439 N CA -0.226 52.646 53.050 -0.297 0.000 0.812 439 N CB 0.215 38.523 38.487 -0.299 0.000 1.297 439 N HN 0.772 nan 8.380 nan 0.000 0.499 440 W N 0.899 122.229 121.300 0.051 0.000 2.387 440 W HA -0.125 4.535 4.660 -0.001 0.000 0.272 440 W C 2.525 179.097 176.519 0.089 0.000 1.224 440 W CA 1.377 58.769 57.345 0.078 0.000 1.210 440 W CB -0.070 29.439 29.460 0.082 0.000 1.125 440 W HN 0.192 nan 8.180 nan 0.000 0.572 441 T N -1.942 112.761 114.554 0.248 0.000 3.014 441 T HA 0.033 4.383 4.350 -0.001 0.000 0.263 441 T C 1.609 176.381 174.700 0.120 0.000 1.078 441 T CA 0.609 62.821 62.100 0.186 0.000 1.135 441 T CB -0.122 68.826 68.868 0.134 0.000 0.895 441 T HN 0.161 nan 8.240 nan 0.000 0.480 442 R N 0.876 121.422 120.500 0.077 0.000 2.237 442 R HA 0.227 4.566 4.340 -0.001 0.000 0.195 442 R C 0.310 176.629 176.300 0.031 0.000 0.956 442 R CA 0.111 56.231 56.100 0.032 0.000 1.029 442 R CB -0.062 30.236 30.300 -0.003 0.000 0.972 442 R HN 0.290 nan 8.270 nan 0.000 0.493 443 D N 2.859 123.302 120.400 0.071 0.000 2.363 443 D HA -0.003 4.637 4.640 -0.001 0.000 0.263 443 D C -1.295 175.047 176.300 0.070 0.000 1.258 443 D CA -2.034 52.024 54.000 0.096 0.000 0.907 443 D CB 1.245 42.154 40.800 0.183 0.000 1.107 443 D HN -0.018 nan 8.370 nan 0.000 0.495 444 P HA -0.189 nan 4.420 nan 0.000 0.218 444 P C 0.477 177.552 177.300 -0.375 0.000 1.146 444 P CA 1.228 64.159 63.100 -0.282 0.000 0.813 444 P CB -0.062 31.350 31.700 -0.480 0.000 0.778 445 Y N -0.257 120.097 120.300 0.090 0.000 2.493 445 Y HA 0.150 4.699 4.550 -0.001 0.000 0.275 445 Y C 2.244 178.222 175.900 0.129 0.000 1.183 445 Y CA 0.412 58.566 58.100 0.091 0.000 1.258 445 Y CB 0.038 38.552 38.460 0.091 0.000 1.108 445 Y HN 0.133 nan 8.280 nan 0.000 0.521 446 S N -0.966 114.887 115.700 0.255 0.000 2.882 446 S HA 0.110 4.580 4.470 -0.001 0.000 0.258 446 S C 0.787 175.552 174.600 0.275 0.000 1.081 446 S CA -0.405 57.977 58.200 0.303 0.000 0.886 446 S CB 0.024 63.513 63.200 0.482 0.000 0.855 446 S HN 0.243 nan 8.310 nan 0.000 0.467 447 R N 2.184 122.803 120.500 0.199 0.000 3.184 447 R HA -0.036 4.303 4.340 -0.001 0.000 0.242 447 R C 0.679 177.194 176.300 0.358 0.000 0.907 447 R CA 0.631 56.825 56.100 0.155 0.000 0.618 447 R CB -2.178 28.112 30.300 -0.016 0.000 1.016 447 R HN 1.081 nan 8.270 nan 0.000 0.469 448 G N -2.451 106.624 108.800 0.460 0.000 2.331 448 G HA2 0.221 4.181 3.960 -0.001 0.000 0.402 448 G HA3 0.221 4.181 3.960 -0.001 0.000 0.402 448 G C 0.071 175.092 174.900 0.202 0.000 1.275 448 G CA -0.178 45.192 45.100 0.451 0.000 1.003 448 G HN 0.293 nan 8.290 nan 0.000 0.500 449 A N -1.049 121.592 122.820 -0.299 0.000 1.884 449 A HA 0.754 5.074 4.320 -0.001 0.000 0.212 449 A C 0.619 177.830 177.584 -0.622 0.000 1.265 449 A CA 2.416 54.190 52.037 -0.440 0.000 0.626 449 A CB -0.236 18.447 19.000 -0.529 0.000 0.943 449 A HN 2.272 nan 8.150 nan 0.000 0.466 450 Y N -2.754 116.878 120.300 -1.113 0.000 2.702 450 Y HA 0.500 5.049 4.550 -0.001 0.000 0.336 450 Y C -0.076 175.294 175.900 -0.883 0.000 1.203 450 Y CA -1.329 56.196 58.100 -0.957 0.000 1.072 450 Y CB 0.028 38.291 38.460 -0.328 0.000 1.327 450 Y HN 0.267 nan 8.280 nan 0.000 0.456 451 S N 1.073 116.781 115.700 0.013 0.000 2.573 451 S HA 0.567 5.036 4.470 -0.001 0.000 0.297 451 S C -0.037 174.669 174.600 0.176 0.000 1.280 451 S CA 0.369 58.709 58.200 0.235 0.000 1.061 451 S CB 0.293 63.669 63.200 0.293 0.000 0.812 451 S HN 1.772 nan 8.310 nan 0.000 0.500 452 A N 1.824 124.718 122.820 0.124 0.000 2.606 452 A HA 0.620 4.939 4.320 -0.001 0.000 0.293 452 A C -0.699 176.948 177.584 0.105 0.000 1.082 452 A CA -0.922 51.211 52.037 0.159 0.000 0.685 452 A CB 0.945 20.026 19.000 0.135 0.000 1.284 452 A HN 1.043 nan 8.150 nan 0.000 0.408 453 C N 1.199 120.584 119.300 0.141 0.000 2.307 453 C HA 0.635 5.094 4.460 -0.001 0.000 0.340 453 C C 0.162 175.335 174.990 0.305 0.000 1.275 453 C CA -0.401 58.703 59.018 0.144 0.000 1.811 453 C CB -1.328 26.467 27.740 0.092 0.000 2.372 453 C HN 0.609 nan 8.230 nan 0.000 0.531 454 F N 2.180 122.191 119.950 0.101 0.000 2.408 454 F HA 0.364 4.890 4.527 -0.001 0.000 0.325 454 F C -1.488 174.320 175.800 0.013 0.000 1.082 454 F CA -2.179 55.818 58.000 -0.006 0.000 1.032 454 F CB 0.765 39.655 39.000 -0.183 0.000 1.259 454 F HN 0.309 nan 8.300 nan 0.000 0.503 461 D N 0.627 120.970 120.400 -0.096 0.000 2.092 461 D HA -0.190 4.449 4.640 -0.001 0.000 0.193 461 D C 1.875 178.077 176.300 -0.163 0.000 0.994 461 D CA 2.262 56.193 54.000 -0.115 0.000 0.828 461 D CB -0.105 40.627 40.800 -0.115 0.000 0.963 461 D HN 0.401 nan 8.370 nan 0.000 0.450 462 M N 0.769 120.246 119.600 -0.204 0.000 2.255 462 M HA -0.200 4.279 4.480 -0.001 0.000 0.260 462 M C 2.157 178.316 176.300 -0.235 0.000 1.069 462 M CA 1.431 56.563 55.300 -0.280 0.000 1.089 462 M CB -0.794 31.641 32.600 -0.275 0.000 1.269 462 M HN -0.077 nan 8.290 nan 0.000 0.434 463 V N -0.532 119.277 119.914 -0.174 0.000 2.277 463 V HA -0.348 3.771 4.120 -0.001 0.000 0.253 463 V C 2.393 178.409 176.094 -0.131 0.000 1.067 463 V CA 2.166 64.377 62.300 -0.148 0.000 1.047 463 V CB -1.328 30.434 31.823 -0.101 0.000 0.649 463 V HN 0.514 nan 8.190 nan 0.000 0.447 464 V N 0.012 119.858 119.914 -0.113 0.000 2.307 464 V HA -0.203 3.917 4.120 -0.001 0.000 0.245 464 V C 2.701 178.732 176.094 -0.105 0.000 1.045 464 V CA 1.851 64.098 62.300 -0.089 0.000 1.024 464 V CB -1.252 30.528 31.823 -0.072 0.000 0.651 464 V HN 0.561 nan 8.190 nan 0.000 0.449 465 A N -0.026 122.705 122.820 -0.148 0.000 1.865 465 A HA -0.250 4.069 4.320 -0.001 0.000 0.217 465 A C 2.263 179.729 177.584 -0.196 0.000 1.191 465 A CA 2.335 54.267 52.037 -0.175 0.000 0.623 465 A CB -0.530 18.323 19.000 -0.245 0.000 0.826 465 A HN 0.396 nan 8.150 nan 0.000 0.444 466 M N 0.725 120.162 119.600 -0.272 0.000 2.067 466 M HA -0.133 4.347 4.480 -0.001 0.000 0.260 466 M C 2.535 178.811 176.300 -0.040 0.000 1.069 466 M CA 2.139 57.277 55.300 -0.270 0.000 1.117 466 M CB -1.849 30.541 32.600 -0.350 0.000 1.334 466 M HN 0.675 nan 8.290 nan 0.000 0.407 467 S N 0.478 116.135 115.700 -0.071 0.000 2.420 467 S HA -0.160 4.309 4.470 -0.001 0.000 0.237 467 S C 1.635 176.238 174.600 0.004 0.000 1.023 467 S CA 1.513 59.696 58.200 -0.029 0.000 0.991 467 S CB -0.591 62.579 63.200 -0.049 0.000 0.792 467 S HN 0.437 nan 8.310 nan 0.000 0.488 468 N N 1.722 120.424 118.700 0.003 0.000 2.336 468 N HA 0.262 5.001 4.740 -0.001 0.000 0.177 468 N C 1.086 176.640 175.510 0.072 0.000 1.018 468 N CA 1.123 54.186 53.050 0.021 0.000 0.878 468 N CB -0.298 38.189 38.487 -0.001 0.000 0.997 468 N HN 0.710 nan 8.380 nan 0.000 0.433 469 G N 0.861 109.748 108.800 0.145 0.000 2.690 469 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.686 469 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.686 469 G C 0.314 175.359 174.900 0.242 0.000 1.277 469 G CA 0.173 45.442 45.100 0.282 0.000 0.799 469 G HN 0.232 nan 8.290 nan 0.000 0.613 470 Q N 0.303 120.309 119.800 0.345 0.000 2.050 470 Q HA 0.120 4.460 4.340 -0.001 0.000 0.202 470 Q C 1.135 177.191 176.000 0.093 0.000 0.980 470 Q CA 3.286 59.200 55.803 0.186 0.000 0.840 470 Q CB 0.009 28.830 28.738 0.139 0.000 0.898 470 Q HN 1.170 nan 8.270 nan 0.000 0.424 471 D N -3.818 116.628 120.400 0.076 0.000 2.851 471 D HA 0.099 4.739 4.640 -0.001 0.000 0.339 471 D C 0.204 176.541 176.300 0.060 0.000 1.347 471 D CA 0.117 54.149 54.000 0.053 0.000 0.888 471 D CB -0.289 40.532 40.800 0.035 0.000 1.431 471 D HN -0.042 nan 8.370 nan 0.000 0.509 472 S N -1.346 114.391 115.700 0.061 0.000 2.469 472 S HA -0.092 4.377 4.470 -0.001 0.000 0.238 472 S C 1.258 175.974 174.600 0.193 0.000 0.998 472 S CA 0.556 58.822 58.200 0.108 0.000 0.957 472 S CB -0.325 62.931 63.200 0.092 0.000 0.764 472 S HN 0.427 nan 8.310 nan 0.000 0.514 473 R N 0.405 120.952 120.500 0.080 0.000 2.191 473 R HA 0.434 4.773 4.340 -0.001 0.000 0.196 473 R C 0.371 176.708 176.300 0.063 0.000 0.991 473 R CA 0.222 56.345 56.100 0.038 0.000 1.075 473 R CB -0.163 30.027 30.300 -0.184 0.000 1.040 473 R HN 0.438 nan 8.270 nan 0.000 0.526 474 I N 3.835 124.404 120.570 -0.003 0.000 2.282 474 I HA 0.172 4.341 4.170 -0.001 0.000 0.290 474 I C 0.012 175.984 176.117 -0.241 0.000 1.090 474 I CA -0.256 60.984 61.300 -0.100 0.000 1.231 474 I CB 0.335 38.310 38.000 -0.041 0.000 1.434 474 I HN -0.244 nan 8.210 nan 0.000 0.487 475 R N 5.274 125.596 120.500 -0.296 0.000 2.828 475 R HA 0.710 5.049 4.340 -0.001 0.000 0.264 475 R C -0.973 174.992 176.300 -0.558 0.000 1.022 475 R CA -0.850 55.078 56.100 -0.288 0.000 1.021 475 R CB 1.562 31.808 30.300 -0.090 0.000 1.163 475 R HN 0.200 nan 8.270 nan 0.000 0.494 476 F N -0.868 119.079 119.950 -0.005 0.000 2.611 476 F HA 0.799 5.325 4.527 -0.001 0.000 0.324 476 F C 0.051 175.819 175.800 -0.053 0.000 1.061 476 F CA -0.915 57.081 58.000 -0.005 0.000 0.954 476 F CB 2.049 41.038 39.000 -0.017 0.000 1.301 476 F HN 0.631 nan 8.300 nan 0.000 0.482 477 A N 0.341 123.257 122.820 0.159 0.000 2.610 477 A HA 0.928 5.247 4.320 -0.001 0.000 0.291 477 A C -0.568 177.058 177.584 0.070 0.000 1.086 477 A CA -0.268 51.795 52.037 0.043 0.000 0.677 477 A CB 1.557 20.567 19.000 0.016 0.000 1.278 477 A HN 1.890 nan 8.150 nan 0.000 0.414 478 G N -0.158 108.663 108.800 0.036 0.000 2.362 478 G HA2 0.461 4.421 3.960 -0.001 0.000 0.656 478 G HA3 0.461 4.421 3.960 -0.001 0.000 0.656 478 G C 0.074 175.042 174.900 0.113 0.000 1.376 478 G CA 0.779 45.969 45.100 0.150 0.000 0.971 478 G HN 2.013 nan 8.290 nan 0.000 0.636 479 E N -0.314 119.998 120.200 0.186 0.000 2.253 479 E HA -0.329 4.020 4.350 -0.001 0.000 0.202 479 E C 1.642 178.321 176.600 0.132 0.000 1.014 479 E CA 2.639 59.105 56.400 0.110 0.000 0.823 479 E CB -0.357 29.398 29.700 0.093 0.000 0.736 479 E HN 0.939 nan 8.360 nan 0.000 0.478 480 H N -0.161 118.940 119.070 0.052 0.000 2.539 480 H HA 0.191 4.746 4.556 -0.001 0.000 0.267 480 H C 1.003 176.314 175.328 -0.029 0.000 0.982 480 H CA 1.187 57.254 56.048 0.032 0.000 1.146 480 H CB -0.312 29.492 29.762 0.070 0.000 1.382 480 H HN 0.357 nan 8.280 nan 0.000 0.577 481 T N -1.829 112.472 114.554 -0.422 0.000 3.092 481 T HA 0.343 4.692 4.350 -0.001 0.000 0.258 481 T C 0.420 175.014 174.700 -0.176 0.000 1.031 481 T CA -0.406 61.468 62.100 -0.375 0.000 0.925 481 T CB -0.244 68.383 68.868 -0.402 0.000 1.036 481 T HN 0.298 nan 8.240 nan 0.000 0.544 482 I N 0.964 121.461 120.570 -0.121 0.000 2.607 482 I HA 0.347 4.516 4.170 -0.001 0.000 0.290 482 I C 0.684 176.759 176.117 -0.069 0.000 1.129 482 I CA -1.299 59.953 61.300 -0.080 0.000 1.042 482 I CB 1.937 39.902 38.000 -0.058 0.000 1.242 482 I HN -0.142 nan 8.210 nan 0.000 0.421 483 M N 3.299 122.868 119.600 -0.051 0.000 2.067 483 M HA -0.043 4.436 4.480 -0.001 0.000 0.260 483 M C 0.724 176.999 176.300 -0.041 0.000 1.069 483 M CA 1.450 56.726 55.300 -0.040 0.000 1.117 483 M CB -0.892 31.694 32.600 -0.024 0.000 1.334 483 M HN 0.532 nan 8.290 nan 0.000 0.407 484 D N 0.010 120.399 120.400 -0.018 0.000 2.383 484 D HA 0.223 4.862 4.640 -0.001 0.000 0.252 484 D C 0.926 177.178 176.300 -0.080 0.000 1.166 484 D CA 1.139 55.145 54.000 0.010 0.000 0.879 484 D CB 0.714 41.564 40.800 0.083 0.000 1.164 484 D HN 0.610 nan 8.370 nan 0.000 0.462 485 G N 2.969 111.666 108.800 -0.172 0.000 2.162 485 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.260 485 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.260 485 G C 0.583 175.200 174.900 -0.471 0.000 0.976 485 G CA 0.414 45.090 45.100 -0.706 0.000 0.655 485 G HN 0.970 nan 8.290 nan 0.000 0.533 486 A N -0.341 122.335 122.820 -0.240 0.000 2.615 486 A HA 0.471 4.790 4.320 -0.001 0.000 0.240 486 A C 2.398 179.879 177.584 -0.171 0.000 1.003 486 A CA 2.270 54.216 52.037 -0.153 0.000 0.778 486 A CB -0.470 18.480 19.000 -0.084 0.000 0.907 486 A HN 2.526 nan 8.150 nan 0.000 0.507 487 G N 0.972 109.710 108.800 -0.105 0.000 2.302 487 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.263 487 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.263 487 G C 0.531 175.260 174.900 -0.284 0.000 0.995 487 G CA 0.682 45.705 45.100 -0.129 0.000 0.622 487 G HN 1.373 nan 8.290 nan 0.000 0.538 488 C N 0.579 119.711 119.300 -0.280 0.000 2.370 488 C HA 0.750 5.209 4.460 -0.001 0.000 0.354 488 C C 2.344 177.238 174.990 -0.160 0.000 1.218 488 C CA 0.177 59.063 59.018 -0.220 0.000 2.154 488 C CB 0.953 28.590 27.740 -0.172 0.000 2.391 488 C HN 0.901 nan 8.230 nan 0.000 0.540 489 A N 1.826 124.618 122.820 -0.046 0.000 1.927 489 A HA -0.239 4.080 4.320 -0.001 0.000 0.220 489 A C 1.786 179.461 177.584 0.151 0.000 1.185 489 A CA 2.460 54.506 52.037 0.015 0.000 0.639 489 A CB -1.018 17.959 19.000 -0.038 0.000 0.820 489 A HN 1.116 nan 8.150 nan 0.000 0.451 490 Y N -0.600 119.769 120.300 0.115 0.000 2.497 490 Y HA 0.188 4.737 4.550 -0.001 0.000 0.292 490 Y C 1.997 178.051 175.900 0.257 0.000 1.137 490 Y CA 0.528 58.730 58.100 0.170 0.000 1.285 490 Y CB -1.036 37.480 38.460 0.093 0.000 0.991 490 Y HN 0.086 nan 8.280 nan 0.000 0.556 491 G N 0.720 109.377 108.800 -0.238 0.000 2.404 491 G HA2 -0.105 3.854 3.960 -0.001 0.000 0.213 491 G HA3 -0.105 3.854 3.960 -0.001 0.000 0.213 491 G C 1.858 176.780 174.900 0.036 0.000 1.189 491 G CA 0.864 45.849 45.100 -0.191 0.000 0.796 491 G HN 0.591 nan 8.290 nan 0.000 0.532 492 A N 0.028 122.881 122.820 0.054 0.000 1.948 492 A HA -0.139 4.181 4.320 -0.001 0.000 0.220 492 A C 2.130 179.813 177.584 0.165 0.000 1.177 492 A CA 1.775 53.872 52.037 0.100 0.000 0.636 492 A CB -0.814 18.250 19.000 0.106 0.000 0.815 492 A HN 0.555 nan 8.150 nan 0.000 0.449 493 W N 0.673 122.003 121.300 0.051 0.000 2.332 493 W HA -0.210 4.449 4.660 -0.001 0.000 0.321 493 W C 2.169 178.734 176.519 0.077 0.000 1.219 493 W CA 2.193 59.590 57.345 0.088 0.000 1.277 493 W CB -0.392 29.157 29.460 0.150 0.000 1.161 493 W HN 0.496 nan 8.180 nan 0.000 0.476 494 E N -0.257 120.128 120.200 0.308 0.000 2.049 494 E HA -0.297 4.053 4.350 -0.001 0.000 0.198 494 E C 2.325 178.899 176.600 -0.042 0.000 1.007 494 E CA 2.435 58.895 56.400 0.101 0.000 0.809 494 E CB -0.670 29.156 29.700 0.210 0.000 0.749 494 E HN 0.341 nan 8.360 nan 0.000 0.450 495 S N 0.104 115.801 115.700 -0.005 0.000 2.420 495 S HA -0.163 4.306 4.470 -0.001 0.000 0.237 495 S C 2.053 176.613 174.600 -0.067 0.000 1.023 495 S CA 1.179 59.358 58.200 -0.036 0.000 0.991 495 S CB -0.685 62.499 63.200 -0.027 0.000 0.792 495 S HN 0.352 nan 8.310 nan 0.000 0.488 496 G N 1.811 110.554 108.800 -0.095 0.000 2.404 496 G HA2 -0.102 3.857 3.960 -0.001 0.000 0.214 496 G HA3 -0.102 3.857 3.960 -0.001 0.000 0.214 496 G C 1.496 176.281 174.900 -0.190 0.000 1.189 496 G CA 0.464 45.487 45.100 -0.129 0.000 0.789 496 G HN 0.522 nan 8.290 nan 0.000 0.533 497 R N 0.523 120.845 120.500 -0.296 0.000 2.105 497 R HA -0.045 4.294 4.340 -0.001 0.000 0.239 497 R C 2.505 178.694 176.300 -0.186 0.000 1.135 497 R CA 1.392 57.312 56.100 -0.301 0.000 0.967 497 R CB -0.307 29.712 30.300 -0.468 0.000 0.861 497 R HN 0.358 nan 8.270 nan 0.000 0.442 498 R N 0.595 121.007 120.500 -0.147 0.000 2.109 498 R HA -0.158 4.182 4.340 -0.001 0.000 0.227 498 R C 1.863 178.102 176.300 -0.101 0.000 1.132 498 R CA 1.948 57.989 56.100 -0.098 0.000 0.907 498 R CB -0.287 29.973 30.300 -0.067 0.000 0.825 498 R HN 0.176 nan 8.270 nan 0.000 0.432 499 E N 0.328 120.470 120.200 -0.096 0.000 2.187 499 E HA -0.223 4.126 4.350 -0.001 0.000 0.199 499 E C 1.802 178.317 176.600 -0.142 0.000 1.004 499 E CA 1.426 57.762 56.400 -0.106 0.000 0.813 499 E CB -0.335 29.313 29.700 -0.087 0.000 0.736 499 E HN 0.539 nan 8.360 nan 0.000 0.468 500 A N 0.551 123.286 122.820 -0.141 0.000 1.898 500 A HA -0.133 4.186 4.320 -0.001 0.000 0.216 500 A C 2.470 179.971 177.584 -0.139 0.000 1.181 500 A CA 1.956 53.905 52.037 -0.147 0.000 0.620 500 A CB -0.784 18.133 19.000 -0.139 0.000 0.819 500 A HN 0.239 nan 8.150 nan 0.000 0.442 501 T N -0.627 113.853 114.554 -0.123 0.000 2.821 501 T HA -0.127 4.222 4.350 -0.001 0.000 0.267 501 T C 2.065 176.699 174.700 -0.110 0.000 1.046 501 T CA 1.516 63.554 62.100 -0.103 0.000 1.139 501 T CB -0.242 68.575 68.868 -0.086 0.000 0.871 501 T HN 0.658 nan 8.240 nan 0.000 0.454 502 R N 0.954 121.381 120.500 -0.122 0.000 2.073 502 R HA -0.014 4.326 4.340 -0.001 0.000 0.234 502 R C 2.309 178.493 176.300 -0.193 0.000 1.134 502 R CA 1.532 57.555 56.100 -0.129 0.000 0.952 502 R CB -0.526 29.703 30.300 -0.118 0.000 0.850 502 R HN 0.349 nan 8.270 nan 0.000 0.433 503 I N 1.049 121.450 120.570 -0.282 0.000 2.361 503 I HA -0.225 3.945 4.170 -0.001 0.000 0.251 503 I C 2.173 178.119 176.117 -0.285 0.000 1.133 503 I CA 1.173 62.198 61.300 -0.457 0.000 1.413 503 I CB -0.178 37.481 38.000 -0.570 0.000 1.073 503 I HN 0.266 nan 8.210 nan 0.000 0.424 504 S N 0.582 116.177 115.700 -0.175 0.000 2.348 504 S HA -0.194 4.275 4.470 -0.001 0.000 0.221 504 S C 1.434 175.987 174.600 -0.078 0.000 1.033 504 S CA 1.482 59.621 58.200 -0.102 0.000 1.010 504 S CB -0.342 62.815 63.200 -0.072 0.000 0.891 504 S HN 0.421 nan 8.310 nan 0.000 0.442 505 D N 0.630 120.983 120.400 -0.079 0.000 2.384 505 D HA 0.009 4.648 4.640 -0.001 0.000 0.222 505 D C 0.863 177.134 176.300 -0.047 0.000 0.976 505 D CA 0.485 54.453 54.000 -0.053 0.000 0.915 505 D CB -0.049 40.721 40.800 -0.050 0.000 0.896 505 D HN 0.197 nan 8.370 nan 0.000 0.523 506 L N -0.772 120.408 121.223 -0.072 0.000 2.731 506 L HA 0.228 4.567 4.340 -0.001 0.000 0.240 506 L C 1.520 178.396 176.870 0.010 0.000 1.120 506 L CA 0.351 55.170 54.840 -0.036 0.000 0.913 506 L CB 0.327 42.343 42.059 -0.070 0.000 1.213 506 L HN 0.037 nan 8.230 nan 0.000 0.515 507 L N -1.133 120.082 121.223 -0.013 0.000 2.616 507 L HA 0.131 4.470 4.340 -0.001 0.000 0.229 507 L C 0.855 177.736 176.870 0.018 0.000 1.110 507 L CA 0.233 55.089 54.840 0.027 0.000 0.884 507 L CB 0.252 42.320 42.059 0.015 0.000 1.115 507 L HN 0.119 nan 8.230 nan 0.000 0.481 508 K N 0.455 120.857 120.400 0.002 0.000 2.969 508 K HA 0.335 4.654 4.320 -0.001 0.000 0.222 508 K C 0.224 176.828 176.600 0.006 0.000 1.172 508 K CA -0.047 56.242 56.287 0.003 0.000 1.192 508 K CB 0.630 33.127 32.500 -0.006 0.000 1.111 508 K HN 0.208 nan 8.250 nan 0.000 0.457 509 L N -1.458 119.773 121.223 0.015 0.000 1.654 509 L HA 0.093 4.432 4.340 -0.001 0.000 0.132 509 L C 0.453 177.338 176.870 0.024 0.000 1.375 509 L CA -0.254 54.596 54.840 0.017 0.000 1.120 509 L CB 0.141 42.209 42.059 0.016 0.000 2.321 509 L HN 0.137 nan 8.230 nan 0.000 0.472 510 E N 0.000 120.222 120.200 0.037 0.000 2.725 510 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 510 E CA 0.000 56.423 56.400 0.039 0.000 0.976 510 E CB 0.000 29.737 29.700 0.061 0.000 0.812 510 E HN 0.000 nan 8.360 nan 0.000 0.440