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 1lde_1_C DATA FIRST_RESID 1 DATA SEQUENCE STAGKVIKCK AAVLWEEKKP FSIEEVEVAP PKAHEVRIKM VATGICRSDD DATA SEQUENCE HVVSGTLVTP LPVIAGHEAA GIVESIGEGV TTVRPGDKVI PLFTPQCGKC DATA SEQUENCE RVCKHPEGNF CLKNDLSMPR GTMQDGTSRF TCRGKPIHHF LGTSTFSQYT DATA SEQUENCE VVDEISVAKI DAASPLEKVC LIGCGFSTGY GSAVKVAKVT QGSTCAVFGL DATA SEQUENCE GGVGLSVIMG CKAAGAARII GVDINKDKFA KAKEVGATEC VNPQDYKKPI DATA SEQUENCE QEVLTEMSNG GVDFSFEVIG RLDTMVTALS CCQEAYGVSV IVGVPPDSQN DATA SEQUENCE LSMNPMLLLS GRTWKGAIFG GFKSKDSVPK LVADFMAKKF ALDPLITHVL DATA SEQUENCE PFEKINEGFD LLRSGESIRT ILTF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.589 174.600 -0.019 0.000 1.055 1 S CA 0.000 58.196 58.200 -0.007 0.000 1.107 1 S CB 0.000 63.200 63.200 0.001 0.000 0.593 2 T N 1.501 116.040 114.554 -0.026 0.000 3.081 2 T HA 0.624 4.974 4.350 0.000 0.000 0.255 2 T C 0.855 175.526 174.700 -0.048 0.000 1.113 2 T CA 0.689 62.756 62.100 -0.054 0.000 1.082 2 T CB -0.236 68.577 68.868 -0.092 0.000 0.939 2 T HN 0.830 nan 8.240 nan 0.000 0.506 3 A N 1.104 123.907 122.820 -0.028 0.000 2.565 3 A HA 0.469 4.789 4.320 0.000 0.000 0.237 3 A C 1.795 179.361 177.584 -0.030 0.000 1.053 3 A CA 0.387 52.408 52.037 -0.026 0.000 0.755 3 A CB -1.102 17.888 19.000 -0.017 0.000 0.980 3 A HN 1.416 nan 8.150 nan 0.000 0.506 4 G N 1.394 110.174 108.800 -0.034 0.000 2.184 4 G HA2 -0.253 3.707 3.960 0.000 0.000 0.264 4 G HA3 -0.253 3.707 3.960 0.000 0.000 0.264 4 G C 0.178 175.056 174.900 -0.036 0.000 0.975 4 G CA 1.141 46.221 45.100 -0.033 0.000 0.642 4 G HN 0.939 nan 8.290 nan 0.000 0.536 5 K N -0.604 119.769 120.400 -0.045 0.000 2.395 5 K HA 0.666 4.987 4.320 0.000 0.000 0.247 5 K C 0.271 176.833 176.600 -0.064 0.000 0.973 5 K CA -0.992 55.267 56.287 -0.048 0.000 0.828 5 K CB 2.751 35.222 32.500 -0.047 0.000 1.272 5 K HN 0.052 nan 8.250 nan 0.000 0.439 6 V N 2.955 122.836 119.914 -0.055 0.000 2.694 6 V HA 0.019 4.139 4.120 0.000 0.000 0.306 6 V C 0.205 176.249 176.094 -0.084 0.000 1.054 6 V CA 0.461 62.725 62.300 -0.060 0.000 1.161 6 V CB -0.094 31.708 31.823 -0.034 0.000 0.916 6 V HN 0.523 nan 8.190 nan 0.000 0.490 7 I N 5.196 125.695 120.570 -0.118 0.000 2.441 7 I HA 0.436 4.606 4.170 0.000 0.000 0.295 7 I C 0.105 176.164 176.117 -0.095 0.000 0.994 7 I CA -0.680 60.511 61.300 -0.181 0.000 1.144 7 I CB 1.716 39.473 38.000 -0.405 0.000 1.314 7 I HN 0.518 nan 8.210 nan 0.000 0.445 8 K N 5.218 125.581 120.400 -0.063 0.000 2.185 8 K HA 0.664 4.984 4.320 0.000 0.000 0.269 8 K C -0.923 175.698 176.600 0.034 0.000 0.987 8 K CA -0.446 55.846 56.287 0.008 0.000 0.865 8 K CB 1.595 34.108 32.500 0.021 0.000 1.090 8 K HN 0.815 nan 8.250 nan 0.000 0.450 9 C N -0.317 119.043 119.300 0.100 0.000 3.293 9 C HA 0.501 4.961 4.460 0.000 0.000 0.362 9 C C -1.439 173.669 174.990 0.196 0.000 1.539 9 C CA -1.325 57.790 59.018 0.161 0.000 1.201 9 C CB 0.905 28.788 27.740 0.238 0.000 1.770 9 C HN 0.703 nan 8.230 nan 0.000 0.440 10 K N 0.973 121.522 120.400 0.249 0.000 2.130 10 K HA 0.752 5.072 4.320 0.000 0.000 0.268 10 K C -0.360 176.473 176.600 0.388 0.000 0.983 10 K CA 0.130 56.589 56.287 0.287 0.000 0.893 10 K CB 1.846 34.535 32.500 0.315 0.000 1.066 10 K HN 1.071 nan 8.250 nan 0.000 0.450 11 A N 1.189 124.213 122.820 0.340 0.000 2.515 11 A HA 0.666 4.986 4.320 0.000 0.000 0.298 11 A C -1.404 176.336 177.584 0.259 0.000 1.059 11 A CA -0.798 51.444 52.037 0.342 0.000 0.698 11 A CB 1.706 20.781 19.000 0.126 0.000 1.289 11 A HN 0.683 nan 8.150 nan 0.000 0.404 12 A N 1.675 124.679 122.820 0.306 0.000 2.316 12 A HA 0.580 4.900 4.320 0.000 0.000 0.311 12 A C -0.102 177.545 177.584 0.105 0.000 1.339 12 A CA -0.260 51.829 52.037 0.087 0.000 0.960 12 A CB -0.352 18.562 19.000 -0.143 0.000 1.152 12 A HN 1.120 nan 8.150 nan 0.000 0.547 13 V N 2.923 122.841 119.914 0.006 0.000 2.686 13 V HA 0.354 4.474 4.120 0.000 0.000 0.295 13 V C -0.077 175.913 176.094 -0.175 0.000 1.057 13 V CA -0.480 61.688 62.300 -0.220 0.000 1.012 13 V CB 1.451 32.911 31.823 -0.604 0.000 1.006 13 V HN 0.766 nan 8.190 nan 0.000 0.477 14 L N 3.100 124.157 121.223 -0.275 0.000 2.324 14 L HA 0.448 4.788 4.340 0.000 0.000 0.274 14 L C -0.175 176.524 176.870 -0.285 0.000 1.012 14 L CA 0.180 54.864 54.840 -0.260 0.000 0.859 14 L CB 1.065 42.964 42.059 -0.267 0.000 1.224 14 L HN 0.725 nan 8.230 nan 0.000 0.429 15 W N 2.732 123.986 121.300 -0.077 0.000 2.523 15 W HA 0.130 4.790 4.660 0.000 0.000 0.278 15 W C 0.567 177.052 176.519 -0.056 0.000 1.236 15 W CA 0.334 57.651 57.345 -0.045 0.000 1.306 15 W CB 0.413 29.849 29.460 -0.040 0.000 1.101 15 W HN 0.561 nan 8.180 nan 0.000 0.577 16 E N 0.192 120.453 120.200 0.101 0.000 2.412 16 E HA 0.170 4.520 4.350 0.000 0.000 0.279 16 E C -0.815 175.753 176.600 -0.052 0.000 0.984 16 E CA -0.967 55.452 56.400 0.031 0.000 0.788 16 E CB 1.085 30.816 29.700 0.052 0.000 1.277 16 E HN 0.115 nan 8.360 nan 0.000 0.455 17 E N 1.328 121.496 120.200 -0.054 0.000 2.409 17 E HA 0.094 4.444 4.350 0.000 0.000 0.257 17 E C -0.522 176.024 176.600 -0.090 0.000 1.150 17 E CA -0.404 55.942 56.400 -0.090 0.000 0.942 17 E CB 0.543 30.204 29.700 -0.066 0.000 0.979 17 E HN 0.619 nan 8.360 nan 0.000 0.447 18 K N -0.975 119.359 120.400 -0.111 0.000 3.500 18 K HA -0.127 4.193 4.320 0.000 0.000 0.313 18 K C -0.805 175.723 176.600 -0.120 0.000 1.338 18 K CA 1.404 57.633 56.287 -0.096 0.000 0.963 18 K CB -0.835 31.632 32.500 -0.055 0.000 1.267 18 K HN 0.463 nan 8.250 nan 0.000 0.448 19 K N 0.072 120.372 120.400 -0.167 0.000 2.166 19 K HA 0.495 4.815 4.320 0.000 0.000 0.245 19 K C -2.459 173.966 176.600 -0.293 0.000 0.967 19 K CA -2.229 53.957 56.287 -0.168 0.000 0.863 19 K CB 0.814 33.247 32.500 -0.111 0.000 1.107 19 K HN -0.219 nan 8.250 nan 0.000 0.436 20 P HA 0.193 nan 4.420 nan 0.000 0.274 20 P C -0.472 176.657 177.300 -0.286 0.000 1.237 20 P CA -0.250 62.710 63.100 -0.234 0.000 0.793 20 P CB 0.283 31.929 31.700 -0.091 0.000 0.977 21 F N -0.166 119.662 119.950 -0.204 0.000 2.418 21 F HA 0.224 4.751 4.527 0.000 0.000 0.341 21 F C 1.396 177.139 175.800 -0.095 0.000 1.120 21 F CA 0.473 58.362 58.000 -0.184 0.000 1.232 21 F CB 0.532 39.355 39.000 -0.296 0.000 1.175 21 F HN 0.082 nan 8.300 nan 0.000 0.569 22 S N 4.702 120.500 115.700 0.163 0.000 2.461 22 S HA 0.415 4.885 4.470 0.000 0.000 0.322 22 S C -0.387 174.286 174.600 0.121 0.000 1.063 22 S CA -0.880 57.418 58.200 0.164 0.000 1.120 22 S CB -0.331 63.067 63.200 0.329 0.000 0.968 22 S HN 0.383 nan 8.310 nan 0.000 0.467 23 I N 5.324 125.916 120.570 0.036 0.000 2.578 23 I HA 0.187 4.358 4.170 0.000 0.000 0.286 23 I C 0.807 176.969 176.117 0.076 0.000 1.126 23 I CA 0.809 62.105 61.300 -0.006 0.000 1.380 23 I CB -0.508 37.435 38.000 -0.095 0.000 1.408 23 I HN 0.709 nan 8.210 nan 0.000 0.532 24 E N 4.652 124.924 120.200 0.120 0.000 2.433 24 E HA 0.301 4.652 4.350 0.000 0.000 0.273 24 E C -0.838 175.849 176.600 0.145 0.000 0.950 24 E CA -0.873 55.615 56.400 0.146 0.000 0.796 24 E CB 2.524 32.355 29.700 0.218 0.000 1.330 24 E HN 0.484 nan 8.360 nan 0.000 0.455 25 E N 1.563 121.844 120.200 0.136 0.000 2.229 25 E HA 0.322 4.672 4.350 0.000 0.000 0.283 25 E C -0.784 175.897 176.600 0.136 0.000 1.030 25 E CA -0.509 55.968 56.400 0.129 0.000 0.836 25 E CB 0.976 30.738 29.700 0.103 0.000 1.068 25 E HN 0.309 nan 8.360 nan 0.000 0.401 26 V N 0.854 120.852 119.914 0.141 0.000 3.074 26 V HA 0.573 4.693 4.120 0.000 0.000 0.314 26 V C -0.805 175.373 176.094 0.140 0.000 1.117 26 V CA -1.036 61.353 62.300 0.148 0.000 1.014 26 V CB 1.864 33.785 31.823 0.164 0.000 1.057 26 V HN 0.695 nan 8.190 nan 0.000 0.438 27 E N 1.143 121.423 120.200 0.134 0.000 2.133 27 E HA 0.602 4.952 4.350 0.000 0.000 0.274 27 E C -1.256 175.398 176.600 0.090 0.000 0.930 27 E CA -0.675 55.778 56.400 0.088 0.000 0.770 27 E CB 2.168 31.901 29.700 0.055 0.000 1.104 27 E HN 0.599 nan 8.360 nan 0.000 0.403 28 V N 3.071 123.007 119.914 0.036 0.000 2.333 28 V HA 0.358 4.478 4.120 0.000 0.000 0.274 28 V C 0.465 176.508 176.094 -0.086 0.000 1.028 28 V CA -0.725 61.546 62.300 -0.048 0.000 0.851 28 V CB 0.850 32.669 31.823 -0.006 0.000 1.000 28 V HN 0.816 nan 8.190 nan 0.000 0.456 29 A N 8.881 131.639 122.820 -0.102 0.000 2.448 29 A HA 0.529 4.849 4.320 0.000 0.000 0.239 29 A C -2.026 175.509 177.584 -0.082 0.000 1.080 29 A CA -0.726 51.264 52.037 -0.077 0.000 0.779 29 A CB -0.191 18.772 19.000 -0.063 0.000 1.026 29 A HN 0.643 nan 8.150 nan 0.000 0.499 30 P HA 0.295 nan 4.420 nan 0.000 0.276 30 P C -2.739 174.529 177.300 -0.054 0.000 1.244 30 P CA -1.600 61.465 63.100 -0.057 0.000 0.801 30 P CB -0.182 31.489 31.700 -0.048 0.000 1.006 31 P HA 0.135 nan 4.420 nan 0.000 0.268 31 P C -0.062 177.210 177.300 -0.047 0.000 1.204 31 P CA 0.361 63.433 63.100 -0.046 0.000 0.768 31 P CB 0.784 32.462 31.700 -0.037 0.000 0.842 32 K N 1.294 121.667 120.400 -0.045 0.000 2.520 32 K HA 0.553 4.873 4.320 0.000 0.000 0.256 32 K C 0.328 176.893 176.600 -0.057 0.000 1.033 32 K CA -0.893 55.367 56.287 -0.044 0.000 1.007 32 K CB 0.354 32.835 32.500 -0.032 0.000 1.330 32 K HN 0.459 nan 8.250 nan 0.000 0.507 33 A N 1.674 124.455 122.820 -0.065 0.000 2.580 33 A HA -0.067 4.253 4.320 0.000 0.000 0.244 33 A C -0.173 177.357 177.584 -0.090 0.000 1.045 33 A CA 0.520 52.469 52.037 -0.148 0.000 0.761 33 A CB -0.637 18.311 19.000 -0.086 0.000 0.962 33 A HN 0.872 nan 8.150 nan 0.000 0.512 34 H N -0.010 119.044 119.070 -0.027 0.000 2.936 34 H HA -0.123 4.433 4.556 0.000 0.000 0.276 34 H C -0.021 175.286 175.328 -0.034 0.000 1.216 34 H CA 1.569 57.599 56.048 -0.029 0.000 1.132 34 H CB -1.561 28.183 29.762 -0.029 0.000 1.303 34 H HN 0.916 nan 8.280 nan 0.000 0.370 35 E N -0.143 120.071 120.200 0.024 0.000 2.263 35 E HA 0.705 5.055 4.350 0.000 0.000 0.264 35 E C -0.206 176.389 176.600 -0.009 0.000 0.923 35 E CA -1.052 55.350 56.400 0.002 0.000 0.802 35 E CB 2.967 32.655 29.700 -0.020 0.000 1.228 35 E HN -0.037 nan 8.360 nan 0.000 0.417 36 V N 1.427 121.336 119.914 -0.009 0.000 2.709 36 V HA 0.411 4.531 4.120 0.000 0.000 0.308 36 V C -0.587 175.506 176.094 -0.002 0.000 1.062 36 V CA -0.826 61.471 62.300 -0.006 0.000 0.901 36 V CB 1.963 33.785 31.823 -0.003 0.000 1.003 36 V HN 0.551 nan 8.190 nan 0.000 0.425 37 R N 4.139 124.644 120.500 0.008 0.000 2.295 37 R HA 0.773 5.113 4.340 0.000 0.000 0.324 37 R C -1.410 174.919 176.300 0.048 0.000 0.968 37 R CA -0.395 55.725 56.100 0.034 0.000 0.837 37 R CB 1.019 31.340 30.300 0.035 0.000 1.133 37 R HN 0.731 nan 8.270 nan 0.000 0.450 38 I N 3.013 123.600 120.570 0.028 0.000 2.646 38 I HA 0.331 4.501 4.170 0.000 0.000 0.299 38 I C -0.343 175.670 176.117 -0.173 0.000 1.036 38 I CA -0.992 60.279 61.300 -0.048 0.000 1.074 38 I CB 2.195 40.152 38.000 -0.073 0.000 1.258 38 I HN 0.436 nan 8.210 nan 0.000 0.430 39 K N 5.370 125.573 120.400 -0.328 0.000 2.253 39 K HA 0.409 4.729 4.320 0.000 0.000 0.277 39 K C -0.774 175.486 176.600 -0.567 0.000 1.053 39 K CA -0.750 55.111 56.287 -0.712 0.000 0.892 39 K CB 1.043 33.202 32.500 -0.568 0.000 1.102 39 K HN 0.465 nan 8.250 nan 0.000 0.469 40 M N 4.088 123.221 119.600 -0.778 0.000 2.238 40 M HA 0.020 4.500 4.480 0.000 0.000 0.347 40 M C 0.207 176.101 176.300 -0.677 0.000 1.173 40 M CA 0.335 55.137 55.300 -0.829 0.000 1.147 40 M CB 1.401 33.170 32.600 -1.385 0.000 1.547 40 M HN 0.523 nan 8.290 nan 0.000 0.455 41 V N 2.303 122.041 119.914 -0.293 0.000 3.013 41 V HA 0.564 4.684 4.120 0.000 0.000 0.238 41 V C 0.115 176.326 176.094 0.195 0.000 1.161 41 V CA 0.686 62.968 62.300 -0.031 0.000 1.170 41 V CB 0.334 32.133 31.823 -0.039 0.000 0.917 41 V HN 0.892 nan 8.190 nan 0.000 0.478 42 A N -0.889 122.035 122.820 0.173 0.000 2.547 42 A HA 0.737 5.057 4.320 0.000 0.000 0.297 42 A C -0.751 176.964 177.584 0.218 0.000 1.056 42 A CA -0.145 52.022 52.037 0.217 0.000 0.688 42 A CB 2.078 21.135 19.000 0.095 0.000 1.282 42 A HN 0.023 nan 8.150 nan 0.000 0.400 43 T N 0.504 115.205 114.554 0.245 0.000 2.993 43 T HA 0.651 5.001 4.350 0.000 0.000 0.312 43 T C 0.056 174.861 174.700 0.176 0.000 1.115 43 T CA 0.348 62.588 62.100 0.233 0.000 1.027 43 T CB 1.208 70.308 68.868 0.387 0.000 1.116 43 T HN 1.648 nan 8.240 nan 0.000 0.464 44 G N 2.802 111.664 108.800 0.103 0.000 2.437 44 G HA2 0.669 4.629 3.960 0.000 0.000 0.319 44 G HA3 0.669 4.629 3.960 0.000 0.000 0.319 44 G C -0.640 174.306 174.900 0.076 0.000 1.158 44 G CA -0.714 44.419 45.100 0.055 0.000 0.899 44 G HN 0.811 nan 8.290 nan 0.000 0.502 45 I N 1.009 121.567 120.570 -0.019 0.000 2.291 45 I HA 0.192 4.362 4.170 0.000 0.000 0.290 45 I C 0.275 176.317 176.117 -0.126 0.000 1.050 45 I CA -0.343 60.885 61.300 -0.120 0.000 1.245 45 I CB 0.881 38.584 38.000 -0.495 0.000 1.405 45 I HN 0.357 nan 8.210 nan 0.000 0.478 46 C N 6.323 125.605 119.300 -0.030 0.000 2.365 46 C HA 0.346 4.806 4.460 0.000 0.000 0.351 46 C C 2.046 177.047 174.990 0.020 0.000 1.240 46 C CA -0.677 58.353 59.018 0.020 0.000 2.062 46 C CB 1.062 28.863 27.740 0.101 0.000 2.387 46 C HN 0.955 nan 8.230 nan 0.000 0.537 47 R N 2.474 122.953 120.500 -0.035 0.000 2.185 47 R HA -0.090 4.250 4.340 0.000 0.000 0.247 47 R C 1.967 178.066 176.300 -0.334 0.000 1.159 47 R CA 2.452 58.459 56.100 -0.156 0.000 0.988 47 R CB -0.470 29.753 30.300 -0.129 0.000 0.871 47 R HN 0.833 nan 8.270 nan 0.000 0.458 48 S N 0.405 116.034 115.700 -0.118 0.000 2.453 48 S HA -0.051 4.419 4.470 0.000 0.000 0.231 48 S C 1.009 175.687 174.600 0.130 0.000 1.005 48 S CA 0.996 59.181 58.200 -0.025 0.000 0.949 48 S CB -0.106 63.129 63.200 0.059 0.000 0.774 48 S HN 0.421 nan 8.310 nan 0.000 0.510 49 D N 1.575 122.136 120.400 0.268 0.000 2.123 49 D HA -0.097 4.543 4.640 0.000 0.000 0.200 49 D C 1.624 178.162 176.300 0.396 0.000 0.976 49 D CA 1.046 55.276 54.000 0.384 0.000 0.831 49 D CB -0.358 40.828 40.800 0.643 0.000 0.974 49 D HN 0.310 nan 8.370 nan 0.000 0.469 50 D N -0.027 120.631 120.400 0.431 0.000 2.178 50 D HA -0.166 4.474 4.640 0.000 0.000 0.201 50 D C 1.791 178.197 176.300 0.177 0.000 0.980 50 D CA 0.992 55.207 54.000 0.357 0.000 0.842 50 D CB 0.035 41.005 40.800 0.283 0.000 0.948 50 D HN 0.166 nan 8.370 nan 0.000 0.472 51 H N -0.699 118.460 119.070 0.148 0.000 2.456 51 H HA -0.010 4.546 4.556 0.000 0.000 0.296 51 H C 2.212 177.551 175.328 0.018 0.000 1.079 51 H CA 0.774 56.865 56.048 0.072 0.000 1.322 51 H CB -0.309 29.492 29.762 0.065 0.000 1.388 51 H HN 0.140 nan 8.280 nan 0.000 0.538 52 V N 0.196 120.161 119.914 0.086 0.000 2.453 52 V HA -0.159 3.961 4.120 0.000 0.000 0.247 52 V C 2.650 178.703 176.094 -0.068 0.000 1.048 52 V CA 0.923 63.184 62.300 -0.065 0.000 1.049 52 V CB -0.570 31.077 31.823 -0.293 0.000 0.672 52 V HN 0.175 nan 8.190 nan 0.000 0.457 53 V N 1.201 121.082 119.914 -0.056 0.000 2.237 53 V HA -0.232 3.888 4.120 0.000 0.000 0.245 53 V C 2.700 178.753 176.094 -0.068 0.000 1.046 53 V CA 2.437 64.654 62.300 -0.139 0.000 1.007 53 V CB -0.937 30.761 31.823 -0.209 0.000 0.638 53 V HN 0.753 nan 8.190 nan 0.000 0.445 54 S N -0.067 115.640 115.700 0.011 0.000 2.474 54 S HA 0.101 4.571 4.470 0.000 0.000 0.235 54 S C 1.719 176.330 174.600 0.018 0.000 0.997 54 S CA 1.264 59.483 58.200 0.031 0.000 0.949 54 S CB 0.234 63.485 63.200 0.086 0.000 0.766 54 S HN 1.303 nan 8.310 nan 0.000 0.517 55 G N -0.138 108.669 108.800 0.012 0.000 2.213 55 G HA2 -0.278 3.682 3.960 0.000 0.000 0.226 55 G HA3 -0.278 3.682 3.960 0.000 0.000 0.226 55 G C 0.869 175.769 174.900 -0.001 0.000 0.992 55 G CA 0.484 45.582 45.100 -0.003 0.000 0.632 55 G HN 0.485 nan 8.290 nan 0.000 0.511 56 T N -0.204 114.357 114.554 0.011 0.000 2.788 56 T HA 0.089 4.439 4.350 0.000 0.000 0.268 56 T C 0.789 175.451 174.700 -0.062 0.000 1.044 56 T CA 1.521 63.585 62.100 -0.060 0.000 1.139 56 T CB 0.056 68.827 68.868 -0.161 0.000 0.867 56 T HN 0.340 nan 8.240 nan 0.000 0.454 57 L N 2.338 123.575 121.223 0.023 0.000 2.294 57 L HA 0.465 4.805 4.340 0.000 0.000 0.283 57 L C -0.897 175.997 176.870 0.040 0.000 1.015 57 L CA -0.642 54.230 54.840 0.053 0.000 0.831 57 L CB 1.199 43.347 42.059 0.149 0.000 1.217 57 L HN -0.134 nan 8.230 nan 0.000 0.420 58 V N 4.375 124.307 119.914 0.029 0.000 2.406 58 V HA 0.665 4.785 4.120 0.000 0.000 0.272 58 V C 0.267 176.380 176.094 0.032 0.000 1.043 58 V CA -0.192 62.116 62.300 0.015 0.000 0.915 58 V CB 1.203 33.027 31.823 0.002 0.000 0.988 58 V HN 0.859 nan 8.190 nan 0.000 0.466 59 T N 5.977 120.537 114.554 0.009 0.000 2.942 59 T HA 0.488 4.838 4.350 0.000 0.000 0.327 59 T C -3.018 171.636 174.700 -0.077 0.000 1.360 59 T CA -1.160 60.949 62.100 0.016 0.000 1.055 59 T CB 2.141 71.093 68.868 0.139 0.000 1.261 59 T HN 0.446 nan 8.240 nan 0.000 0.485 60 P HA 0.287 nan 4.420 nan 0.000 0.262 60 P C -0.823 176.290 177.300 -0.313 0.000 1.182 60 P CA -0.075 62.784 63.100 -0.402 0.000 0.761 60 P CB 0.225 31.450 31.700 -0.793 0.000 0.795 61 L N 5.126 126.294 121.223 -0.092 0.000 2.330 61 L HA 0.539 4.879 4.340 0.000 0.000 0.271 61 L C -1.884 175.107 176.870 0.202 0.000 1.013 61 L CA -2.338 52.531 54.840 0.048 0.000 0.816 61 L CB 1.693 43.754 42.059 0.003 0.000 1.287 61 L HN 0.251 nan 8.230 nan 0.000 0.435 62 P HA 0.265 nan 4.420 nan 0.000 0.274 62 P C -0.998 176.270 177.300 -0.052 0.000 1.246 62 P CA -0.227 62.845 63.100 -0.046 0.000 0.795 62 P CB 2.173 33.682 31.700 -0.318 0.000 1.006 63 V N 1.351 121.164 119.914 -0.168 0.000 3.216 63 V HA 0.417 4.537 4.120 0.000 0.000 0.302 63 V C -1.057 174.929 176.094 -0.180 0.000 1.286 63 V CA -1.069 61.162 62.300 -0.114 0.000 1.048 63 V CB 2.335 34.128 31.823 -0.050 0.000 1.081 63 V HN 0.329 nan 8.190 nan 0.000 0.442 64 I N 4.555 125.003 120.570 -0.203 0.000 2.337 64 I HA 0.579 4.749 4.170 0.000 0.000 0.285 64 I C 0.700 176.793 176.117 -0.040 0.000 1.041 64 I CA -0.114 61.063 61.300 -0.206 0.000 1.199 64 I CB 1.223 38.877 38.000 -0.577 0.000 1.370 64 I HN 0.821 nan 8.210 nan 0.000 0.470 65 A N 4.911 127.761 122.820 0.050 0.000 2.599 65 A HA 0.881 5.201 4.320 0.000 0.000 0.257 65 A C 0.564 177.944 177.584 -0.341 0.000 1.641 65 A CA 0.115 52.107 52.037 -0.074 0.000 0.842 65 A CB -0.033 18.918 19.000 -0.082 0.000 1.599 65 A HN 0.965 nan 8.150 nan 0.000 0.585 66 G N -1.755 106.613 108.800 -0.720 0.000 3.209 66 G HA2 0.266 4.226 3.960 0.000 0.000 0.686 66 G HA3 0.266 4.226 3.960 0.000 0.000 0.686 66 G C -0.299 174.483 174.900 -0.197 0.000 1.065 66 G CA 0.414 44.718 45.100 -1.328 0.000 0.812 66 G HN 2.253 nan 8.290 nan 0.000 0.573 67 H N 0.060 119.009 119.070 -0.201 0.000 3.770 67 H HA 0.256 4.813 4.556 0.000 0.000 0.264 67 H C 0.095 175.443 175.328 0.034 0.000 1.164 67 H CA 0.457 56.468 56.048 -0.063 0.000 1.158 67 H CB 0.636 30.293 29.762 -0.176 0.000 1.653 67 H HN 0.601 nan 8.280 nan 0.000 0.795 68 E N 1.708 121.595 120.200 -0.523 0.000 2.101 68 E HA 0.636 4.987 4.350 0.000 0.000 0.260 68 E C -1.077 175.482 176.600 -0.068 0.000 0.897 68 E CA -0.512 55.763 56.400 -0.209 0.000 0.744 68 E CB 0.844 30.372 29.700 -0.287 0.000 1.140 68 E HN 0.506 nan 8.360 nan 0.000 0.419 69 A N 2.779 125.596 122.820 -0.005 0.000 2.581 69 A HA 0.874 5.194 4.320 0.000 0.000 0.290 69 A C -1.670 175.914 177.584 0.001 0.000 1.119 69 A CA -0.263 51.782 52.037 0.014 0.000 0.670 69 A CB 1.623 20.630 19.000 0.011 0.000 1.280 69 A HN 0.580 nan 8.150 nan 0.000 0.425 70 A N -0.487 122.327 122.820 -0.010 0.000 2.427 70 A HA 0.890 5.210 4.320 0.000 0.000 0.298 70 A C -0.039 177.506 177.584 -0.065 0.000 1.036 70 A CA 0.199 52.218 52.037 -0.030 0.000 0.701 70 A CB 1.280 20.267 19.000 -0.021 0.000 1.250 70 A HN 2.406 nan 8.150 nan 0.000 0.412 71 G N 0.160 108.909 108.800 -0.084 0.000 3.021 71 G HA2 0.680 4.640 3.960 0.000 0.000 0.290 71 G HA3 0.680 4.640 3.960 0.000 0.000 0.290 71 G C -1.411 173.430 174.900 -0.099 0.000 1.291 71 G CA -0.605 44.416 45.100 -0.132 0.000 0.834 71 G HN 0.730 nan 8.290 nan 0.000 0.564 72 I N 0.549 121.047 120.570 -0.120 0.000 2.498 72 I HA 0.294 4.464 4.170 0.000 0.000 0.290 72 I C -0.218 175.861 176.117 -0.064 0.000 1.032 72 I CA -0.968 60.286 61.300 -0.076 0.000 1.073 72 I CB 2.397 40.356 38.000 -0.068 0.000 1.251 72 I HN 0.129 nan 8.210 nan 0.000 0.426 73 V N 5.813 125.706 119.914 -0.035 0.000 2.540 73 V HA -0.022 4.098 4.120 0.000 0.000 0.297 73 V C 1.246 177.341 176.094 0.003 0.000 1.024 73 V CA 0.299 62.589 62.300 -0.016 0.000 1.105 73 V CB 0.786 32.603 31.823 -0.009 0.000 0.938 73 V HN 0.865 nan 8.190 nan 0.000 0.482 74 E N 3.166 123.385 120.200 0.032 0.000 2.201 74 E HA 0.035 4.385 4.350 0.000 0.000 0.193 74 E C 0.668 177.292 176.600 0.041 0.000 0.957 74 E CA 1.037 57.478 56.400 0.069 0.000 0.858 74 E CB 0.856 30.660 29.700 0.173 0.000 0.816 74 E HN 0.857 nan 8.360 nan 0.000 0.475 75 S N -0.107 115.610 115.700 0.028 0.000 2.567 75 S HA 0.534 5.004 4.470 0.000 0.000 0.270 75 S C -0.534 174.064 174.600 -0.003 0.000 1.152 75 S CA -0.920 57.284 58.200 0.007 0.000 0.835 75 S CB 0.938 64.138 63.200 0.000 0.000 1.115 75 S HN 0.241 nan 8.310 nan 0.000 0.459 76 I N -0.399 120.162 120.570 -0.015 0.000 2.740 76 I HA 0.929 5.099 4.170 0.000 0.000 0.303 76 I C 0.424 176.517 176.117 -0.041 0.000 1.044 76 I CA -1.086 60.200 61.300 -0.023 0.000 1.064 76 I CB 1.588 39.575 38.000 -0.021 0.000 1.249 76 I HN 0.862 nan 8.210 nan 0.000 0.433 77 G N 2.495 111.263 108.800 -0.053 0.000 2.588 77 G HA2 0.259 4.219 3.960 0.000 0.000 0.281 77 G HA3 0.259 4.219 3.960 0.000 0.000 0.281 77 G C -0.678 174.147 174.900 -0.126 0.000 1.236 77 G CA -0.578 44.473 45.100 -0.082 0.000 0.969 77 G HN 0.867 nan 8.290 nan 0.000 0.504 78 E N -0.867 119.238 120.200 -0.157 0.000 2.414 78 E HA 0.361 4.711 4.350 0.000 0.000 0.263 78 E C 1.336 177.719 176.600 -0.361 0.000 1.000 78 E CA 1.058 57.345 56.400 -0.188 0.000 0.914 78 E CB 0.197 29.803 29.700 -0.156 0.000 0.948 78 E HN 0.974 nan 8.360 nan 0.000 0.444 79 G N 2.608 111.246 108.800 -0.269 0.000 2.205 79 G HA2 -0.274 3.686 3.960 0.000 0.000 0.261 79 G HA3 -0.274 3.686 3.960 0.000 0.000 0.261 79 G C 0.233 175.039 174.900 -0.157 0.000 0.980 79 G CA 0.140 45.052 45.100 -0.313 0.000 0.632 79 G HN 0.526 nan 8.290 nan 0.000 0.533 80 V N 1.715 121.553 119.914 -0.126 0.000 2.637 80 V HA 0.467 4.587 4.120 0.000 0.000 0.296 80 V C 1.643 177.754 176.094 0.028 0.000 1.046 80 V CA 1.513 63.824 62.300 0.018 0.000 1.066 80 V CB 1.385 33.205 31.823 -0.005 0.000 0.968 80 V HN 0.825 nan 8.190 nan 0.000 0.483 81 T N -1.618 112.968 114.554 0.053 0.000 2.986 81 T HA -0.030 4.320 4.350 0.000 0.000 0.264 81 T C 1.352 176.066 174.700 0.022 0.000 0.964 81 T CA 0.483 62.602 62.100 0.031 0.000 0.895 81 T CB 0.135 69.026 68.868 0.038 0.000 1.163 81 T HN 0.700 nan 8.240 nan 0.000 0.517 82 T N 1.034 115.603 114.554 0.025 0.000 3.067 82 T HA 0.373 4.723 4.350 0.000 0.000 0.257 82 T C 0.690 175.395 174.700 0.008 0.000 1.105 82 T CA 0.519 62.628 62.100 0.015 0.000 1.104 82 T CB -0.442 68.434 68.868 0.013 0.000 0.925 82 T HN 0.634 nan 8.240 nan 0.000 0.498 83 V N -2.160 117.758 119.914 0.007 0.000 3.159 83 V HA 0.844 4.964 4.120 0.000 0.000 0.308 83 V C -1.219 174.875 176.094 -0.001 0.000 1.190 83 V CA -1.758 60.542 62.300 0.001 0.000 1.037 83 V CB 2.159 33.982 31.823 -0.002 0.000 1.060 83 V HN 0.186 nan 8.190 nan 0.000 0.437 84 R N 0.964 121.462 120.500 -0.003 0.000 2.808 84 R HA 0.650 4.990 4.340 0.000 0.000 0.272 84 R C -3.031 173.266 176.300 -0.004 0.000 0.995 84 R CA -2.065 54.032 56.100 -0.004 0.000 0.917 84 R CB 2.493 32.791 30.300 -0.004 0.000 1.217 84 R HN 0.520 nan 8.270 nan 0.000 0.471 85 P HA -0.054 nan 4.420 nan 0.000 0.261 85 P C 0.493 177.792 177.300 -0.001 0.000 1.173 85 P CA 1.360 64.460 63.100 -0.000 0.000 0.760 85 P CB 0.486 32.187 31.700 0.002 0.000 0.783 86 G N 2.160 110.958 108.800 -0.003 0.000 2.254 86 G HA2 -0.186 3.774 3.960 0.000 0.000 0.225 86 G HA3 -0.186 3.774 3.960 0.000 0.000 0.225 86 G C 0.013 174.908 174.900 -0.009 0.000 1.003 86 G CA -0.304 44.794 45.100 -0.005 0.000 0.622 86 G HN 0.499 nan 8.290 nan 0.000 0.507 87 D N 1.501 121.895 120.400 -0.009 0.000 2.399 87 D HA 0.393 5.034 4.640 0.000 0.000 0.241 87 D C 0.687 176.977 176.300 -0.017 0.000 1.133 87 D CA 0.330 54.324 54.000 -0.011 0.000 0.890 87 D CB 0.641 41.436 40.800 -0.008 0.000 1.201 87 D HN 0.343 nan 8.370 nan 0.000 0.432 88 K N 0.817 121.208 120.400 -0.015 0.000 2.258 88 K HA 0.377 4.698 4.320 0.000 0.000 0.284 88 K C -0.290 176.299 176.600 -0.019 0.000 1.051 88 K CA -0.588 55.687 56.287 -0.020 0.000 0.923 88 K CB 1.061 33.553 32.500 -0.013 0.000 1.046 88 K HN 0.228 nan 8.250 nan 0.000 0.474 89 V N 0.438 120.336 119.914 -0.027 0.000 3.040 89 V HA 0.628 4.748 4.120 0.000 0.000 0.312 89 V C -0.509 175.570 176.094 -0.026 0.000 1.115 89 V CA -1.158 61.128 62.300 -0.023 0.000 0.998 89 V CB 1.846 33.654 31.823 -0.025 0.000 1.042 89 V HN 0.599 nan 8.190 nan 0.000 0.433 90 I N 2.850 123.408 120.570 -0.020 0.000 2.439 90 I HA 0.502 4.672 4.170 0.000 0.000 0.285 90 I C -2.567 173.534 176.117 -0.027 0.000 1.021 90 I CA -2.132 59.158 61.300 -0.017 0.000 1.091 90 I CB 2.816 40.815 38.000 -0.001 0.000 1.242 90 I HN 0.514 nan 8.210 nan 0.000 0.439 91 P HA 0.166 nan 4.420 nan 0.000 0.269 91 P C -1.070 176.194 177.300 -0.059 0.000 1.209 91 P CA -0.013 63.073 63.100 -0.023 0.000 0.776 91 P CB 0.477 32.180 31.700 0.005 0.000 0.876 92 L N 3.683 124.846 121.223 -0.100 0.000 2.316 92 L HA 0.361 4.701 4.340 0.000 0.000 0.280 92 L C 1.365 178.102 176.870 -0.222 0.000 1.006 92 L CA -0.687 54.004 54.840 -0.248 0.000 0.836 92 L CB 0.711 42.623 42.059 -0.246 0.000 1.221 92 L HN 0.373 nan 8.230 nan 0.000 0.418 93 F N 0.047 119.859 119.950 -0.230 0.000 2.365 93 F HA 0.049 4.576 4.527 0.000 0.000 0.300 93 F C 0.747 176.433 175.800 -0.190 0.000 1.090 93 F CA 0.046 57.917 58.000 -0.214 0.000 1.408 93 F CB -0.532 38.331 39.000 -0.228 0.000 1.060 93 F HN 0.260 nan 8.300 nan 0.000 0.534 94 T N 3.940 118.150 114.554 -0.572 0.000 2.772 94 T HA 0.386 4.736 4.350 0.000 0.000 0.288 94 T C -2.524 172.032 174.700 -0.240 0.000 0.994 94 T CA -1.544 60.395 62.100 -0.269 0.000 0.951 94 T CB 1.818 70.541 68.868 -0.242 0.000 0.933 94 T HN -0.156 nan 8.240 nan 0.000 0.447 95 P HA 0.220 nan 4.420 nan 0.000 0.275 95 P C -0.606 176.642 177.300 -0.088 0.000 1.266 95 P CA -0.541 62.488 63.100 -0.119 0.000 0.793 95 P CB 0.620 32.259 31.700 -0.102 0.000 1.074 96 Q N 0.021 119.782 119.800 -0.065 0.000 3.064 96 Q HA 0.213 4.553 4.340 0.000 0.000 0.258 96 Q C 0.591 176.568 176.000 -0.038 0.000 0.972 96 Q CA -0.341 55.441 55.803 -0.034 0.000 0.761 96 Q CB -0.257 28.477 28.738 -0.007 0.000 1.281 96 Q HN 0.616 nan 8.270 nan 0.000 0.455 97 C N 0.433 119.704 119.300 -0.049 0.000 2.449 97 C HA 0.247 4.707 4.460 0.000 0.000 0.283 97 C C 1.655 176.622 174.990 -0.038 0.000 1.453 97 C CA 0.725 59.711 59.018 -0.053 0.000 1.779 97 C CB -1.362 26.339 27.740 -0.065 0.000 1.779 97 C HN 0.996 nan 8.230 nan 0.000 0.546 98 G N 0.749 109.536 108.800 -0.022 0.000 2.186 98 G HA2 -0.356 3.605 3.960 0.000 0.000 0.266 98 G HA3 -0.356 3.605 3.960 0.000 0.000 0.266 98 G C 0.875 175.767 174.900 -0.013 0.000 0.982 98 G CA 1.173 46.267 45.100 -0.010 0.000 0.670 98 G HN 0.678 nan 8.290 nan 0.000 0.533 99 K N -1.071 119.316 120.400 -0.021 0.000 2.502 99 K HA 0.235 4.555 4.320 0.000 0.000 0.211 99 K C 1.659 178.250 176.600 -0.016 0.000 1.259 99 K CA 0.362 56.637 56.287 -0.020 0.000 0.983 99 K CB 0.519 32.999 32.500 -0.033 0.000 1.054 99 K HN 0.646 nan 8.250 nan 0.000 0.572 100 C N 0.968 120.257 119.300 -0.019 0.000 2.500 100 C HA 0.298 4.758 4.460 0.000 0.000 0.367 100 C C 2.008 177.001 174.990 0.005 0.000 1.283 100 C CA -0.783 58.226 59.018 -0.016 0.000 2.456 100 C CB 1.101 28.820 27.740 -0.035 0.000 2.457 100 C HN 0.588 nan 8.230 nan 0.000 0.632 101 R N 1.036 121.542 120.500 0.011 0.000 2.139 101 R HA -0.092 4.248 4.340 0.000 0.000 0.243 101 R C 1.311 177.650 176.300 0.064 0.000 1.145 101 R CA 2.387 58.510 56.100 0.038 0.000 0.976 101 R CB -0.704 29.615 30.300 0.032 0.000 0.866 101 R HN 0.681 nan 8.270 nan 0.000 0.449 102 V N 0.662 120.598 119.914 0.036 0.000 2.379 102 V HA -0.232 3.888 4.120 0.000 0.000 0.245 102 V C 2.651 178.793 176.094 0.081 0.000 1.044 102 V CA 1.588 63.918 62.300 0.050 0.000 1.036 102 V CB -0.495 31.337 31.823 0.016 0.000 0.664 102 V HN 0.530 nan 8.190 nan 0.000 0.453 103 C N -0.015 119.313 119.300 0.047 0.000 2.422 103 C HA -0.088 4.372 4.460 0.000 0.000 0.279 103 C C 2.767 177.793 174.990 0.060 0.000 1.305 103 C CA 0.642 59.688 59.018 0.046 0.000 1.757 103 C CB -0.878 26.870 27.740 0.013 0.000 1.962 103 C HN 0.480 nan 8.230 nan 0.000 0.499 104 K N -0.093 120.344 120.400 0.061 0.000 2.167 104 K HA -0.010 4.311 4.320 0.000 0.000 0.203 104 K C 0.944 177.583 176.600 0.066 0.000 1.052 104 K CA 0.468 56.785 56.287 0.050 0.000 0.956 104 K CB -0.681 31.842 32.500 0.038 0.000 0.735 104 K HN 0.617 nan 8.250 nan 0.000 0.451 105 H N 3.387 122.465 119.070 0.015 0.000 2.964 105 H HA -0.000 4.556 4.556 0.000 0.000 0.328 105 H C -1.679 173.662 175.328 0.022 0.000 1.030 105 H CA -1.137 54.922 56.048 0.017 0.000 1.445 105 H CB 1.373 31.147 29.762 0.020 0.000 1.449 105 H HN -0.128 nan 8.280 nan 0.000 0.581 106 P HA -0.100 nan 4.420 nan 0.000 0.225 106 P C 0.449 177.835 177.300 0.144 0.000 1.148 106 P CA 1.118 64.200 63.100 -0.031 0.000 0.779 106 P CB 0.531 32.157 31.700 -0.124 0.000 0.780 107 E N -1.084 119.402 120.200 0.477 0.000 2.514 107 E HA 0.178 4.529 4.350 0.000 0.000 0.215 107 E C 1.245 177.953 176.600 0.180 0.000 0.946 107 E CA 0.068 56.642 56.400 0.290 0.000 1.038 107 E CB 0.458 30.320 29.700 0.270 0.000 1.069 107 E HN 0.139 nan 8.360 nan 0.000 0.503 108 G N 2.072 110.985 108.800 0.189 0.000 2.507 108 G HA2 0.194 4.154 3.960 0.000 0.000 0.271 108 G HA3 0.194 4.154 3.960 0.000 0.000 0.271 108 G C 0.600 175.562 174.900 0.102 0.000 1.189 108 G CA -0.125 45.006 45.100 0.051 0.000 0.859 108 G HN 0.132 nan 8.290 nan 0.000 0.542 109 N N -0.621 118.148 118.700 0.116 0.000 2.200 109 N HA 0.014 4.754 4.740 0.000 0.000 0.233 109 N C 0.116 175.739 175.510 0.190 0.000 1.236 109 N CA -0.335 52.803 53.050 0.148 0.000 0.845 109 N CB 0.152 38.735 38.487 0.161 0.000 1.257 109 N HN 0.288 nan 8.380 nan 0.000 0.472 110 F N 3.757 123.715 119.950 0.012 0.000 2.677 110 F HA 0.272 4.799 4.527 0.000 0.000 0.358 110 F C 0.635 176.430 175.800 -0.007 0.000 1.266 110 F CA -1.504 56.498 58.000 0.003 0.000 1.262 110 F CB -1.068 37.931 39.000 -0.003 0.000 1.684 110 F HN 0.151 nan 8.300 nan 0.000 0.671 111 C N 5.550 124.791 119.300 -0.098 0.000 2.465 111 C HA -0.048 4.412 4.460 0.000 0.000 0.402 111 C C 2.114 176.926 174.990 -0.296 0.000 1.448 111 C CA -0.376 58.550 59.018 -0.154 0.000 1.589 111 C CB -0.786 26.887 27.740 -0.111 0.000 2.535 111 C HN 0.849 nan 8.230 nan 0.000 0.600 112 L N 4.084 125.173 121.223 -0.222 0.000 2.349 112 L HA -0.101 4.239 4.340 0.000 0.000 0.220 112 L C 2.196 178.939 176.870 -0.211 0.000 1.130 112 L CA 1.424 56.130 54.840 -0.223 0.000 0.791 112 L CB -0.513 41.472 42.059 -0.124 0.000 0.918 112 L HN 0.763 nan 8.230 nan 0.000 0.444 113 K N 0.407 120.695 120.400 -0.187 0.000 2.410 113 K HA 0.049 4.369 4.320 0.000 0.000 0.200 113 K C 0.378 176.878 176.600 -0.166 0.000 1.023 113 K CA -0.290 55.910 56.287 -0.145 0.000 1.149 113 K CB -0.202 32.234 32.500 -0.108 0.000 0.859 113 K HN 0.460 nan 8.250 nan 0.000 0.514 114 N N 0.341 118.884 118.700 -0.262 0.000 2.340 114 N HA -0.094 4.646 4.740 0.000 0.000 0.236 114 N C 0.051 175.477 175.510 -0.140 0.000 1.296 114 N CA -0.033 52.878 53.050 -0.231 0.000 0.896 114 N CB 0.514 38.744 38.487 -0.428 0.000 1.127 114 N HN -0.167 nan 8.380 nan 0.000 0.442 115 D N -0.868 119.494 120.400 -0.064 0.000 2.462 115 D HA 0.115 4.755 4.640 0.000 0.000 0.221 115 D C 0.653 176.968 176.300 0.025 0.000 1.173 115 D CA -0.327 53.661 54.000 -0.021 0.000 0.831 115 D CB 0.025 40.821 40.800 -0.007 0.000 1.001 115 D HN 0.530 nan 8.370 nan 0.000 0.499 116 L N -0.304 120.961 121.223 0.069 0.000 2.084 116 L HA 0.073 4.413 4.340 0.000 0.000 0.202 116 L C 1.979 178.945 176.870 0.160 0.000 1.074 116 L CA 1.545 56.485 54.840 0.166 0.000 0.757 116 L CB -0.623 41.635 42.059 0.331 0.000 0.918 116 L HN -0.085 nan 8.230 nan 0.000 0.444 117 S N -0.264 115.541 115.700 0.175 0.000 2.348 117 S HA -0.007 4.463 4.470 0.000 0.000 0.221 117 S C 0.928 175.567 174.600 0.065 0.000 1.033 117 S CA 1.158 59.436 58.200 0.130 0.000 1.010 117 S CB -0.209 63.063 63.200 0.121 0.000 0.891 117 S HN 0.268 nan 8.310 nan 0.000 0.442 118 M N 1.888 121.511 119.600 0.038 0.000 2.386 118 M HA 0.375 4.855 4.480 0.000 0.000 0.245 118 M C -3.053 173.261 176.300 0.024 0.000 0.982 118 M CA -3.019 52.295 55.300 0.024 0.000 0.860 118 M CB 0.289 32.896 32.600 0.012 0.000 1.371 118 M HN -0.120 nan 8.290 nan 0.000 0.425 119 P HA 0.148 nan 4.420 nan 0.000 0.261 119 P C 0.516 177.831 177.300 0.024 0.000 1.203 119 P CA 0.266 63.389 63.100 0.038 0.000 0.767 119 P CB 0.672 32.404 31.700 0.054 0.000 0.785 120 R N 2.570 123.093 120.500 0.039 0.000 2.225 120 R HA 0.175 4.516 4.340 0.000 0.000 0.194 120 R C 1.186 177.544 176.300 0.096 0.000 0.957 120 R CA 0.512 56.644 56.100 0.053 0.000 1.042 120 R CB 0.008 30.343 30.300 0.058 0.000 1.004 120 R HN 0.733 nan 8.270 nan 0.000 0.509 121 G N 2.464 111.341 108.800 0.128 0.000 2.295 121 G HA2 -0.294 3.666 3.960 0.000 0.000 0.287 121 G HA3 -0.294 3.666 3.960 0.000 0.000 0.287 121 G C 0.160 175.295 174.900 0.391 0.000 1.055 121 G CA 0.882 46.127 45.100 0.242 0.000 0.922 121 G HN 0.475 nan 8.290 nan 0.000 0.503 122 T N -3.601 111.087 114.554 0.223 0.000 2.724 122 T HA 0.833 5.183 4.350 0.000 0.000 0.274 122 T C 0.550 175.186 174.700 -0.107 0.000 0.984 122 T CA -1.109 61.067 62.100 0.126 0.000 1.024 122 T CB 1.595 70.518 68.868 0.092 0.000 1.320 122 T HN 0.145 nan 8.240 nan 0.000 0.555 123 M N 1.192 120.652 119.600 -0.232 0.000 2.371 123 M HA 0.338 4.818 4.480 0.000 0.000 0.301 123 M C 1.556 177.787 176.300 -0.116 0.000 1.173 123 M CA -0.743 54.394 55.300 -0.272 0.000 1.020 123 M CB 1.029 33.460 32.600 -0.281 0.000 1.490 123 M HN 0.684 nan 8.290 nan 0.000 0.485 124 Q N 1.336 121.078 119.800 -0.097 0.000 2.173 124 Q HA -0.215 4.125 4.340 0.000 0.000 0.208 124 Q C 1.053 177.026 176.000 -0.045 0.000 0.989 124 Q CA 2.141 57.906 55.803 -0.062 0.000 0.872 124 Q CB -0.594 28.109 28.738 -0.058 0.000 0.909 124 Q HN 0.763 nan 8.270 nan 0.000 0.420 125 D N -1.417 118.957 120.400 -0.043 0.000 2.363 125 D HA 0.020 4.660 4.640 0.000 0.000 0.226 125 D C 1.075 177.367 176.300 -0.014 0.000 1.020 125 D CA 0.934 54.919 54.000 -0.025 0.000 0.892 125 D CB -0.287 40.501 40.800 -0.019 0.000 0.900 125 D HN 0.315 nan 8.370 nan 0.000 0.531 126 G N -0.321 108.471 108.800 -0.014 0.000 2.176 126 G HA2 -0.237 3.723 3.960 0.000 0.000 0.253 126 G HA3 -0.237 3.723 3.960 0.000 0.000 0.253 126 G C 0.395 175.310 174.900 0.025 0.000 0.979 126 G CA 0.628 45.735 45.100 0.011 0.000 0.641 126 G HN 0.889 nan 8.290 nan 0.000 0.530 127 T N -2.319 112.240 114.554 0.008 0.000 2.930 127 T HA 0.760 5.110 4.350 0.000 0.000 0.290 127 T C -0.091 174.628 174.700 0.032 0.000 1.052 127 T CA 0.324 62.438 62.100 0.023 0.000 1.017 127 T CB 2.245 71.119 68.868 0.011 0.000 1.137 127 T HN 0.925 nan 8.240 nan 0.000 0.511 128 S N -0.303 115.452 115.700 0.092 0.000 2.578 128 S HA 0.475 4.945 4.470 0.000 0.000 0.283 128 S C 0.606 175.298 174.600 0.153 0.000 1.195 128 S CA -0.908 57.426 58.200 0.225 0.000 1.050 128 S CB 0.549 63.857 63.200 0.180 0.000 1.012 128 S HN 0.657 nan 8.310 nan 0.000 0.511 129 R N 2.216 122.823 120.500 0.180 0.000 2.472 129 R HA 0.244 4.584 4.340 0.000 0.000 0.279 129 R C -1.086 175.073 176.300 -0.235 0.000 0.953 129 R CA 0.149 56.204 56.100 -0.076 0.000 1.088 129 R CB -0.203 29.973 30.300 -0.207 0.000 1.197 129 R HN 0.500 nan 8.270 nan 0.000 0.536 130 F N -0.057 119.910 119.950 0.029 0.000 2.495 130 F HA 0.443 4.970 4.527 0.000 0.000 0.327 130 F C 0.442 176.226 175.800 -0.026 0.000 1.103 130 F CA -0.557 57.417 58.000 -0.044 0.000 0.949 130 F CB 2.119 41.029 39.000 -0.150 0.000 1.142 130 F HN -0.357 nan 8.300 nan 0.000 0.457 131 T N 1.837 116.508 114.554 0.195 0.000 2.916 131 T HA 0.464 4.814 4.350 0.000 0.000 0.298 131 T C -1.685 173.096 174.700 0.134 0.000 1.031 131 T CA -0.602 61.574 62.100 0.127 0.000 0.993 131 T CB 1.545 70.468 68.868 0.092 0.000 1.045 131 T HN 0.776 nan 8.240 nan 0.000 0.454 132 C N 4.225 123.613 119.300 0.147 0.000 2.516 132 C HA 0.627 5.088 4.460 0.000 0.000 0.338 132 C C 0.584 175.720 174.990 0.243 0.000 1.132 132 C CA -0.506 58.634 59.018 0.204 0.000 1.310 132 C CB -0.297 27.577 27.740 0.224 0.000 1.898 132 C HN 1.111 nan 8.230 nan 0.000 0.452 133 R N 3.902 124.508 120.500 0.177 0.000 3.525 133 R HA -0.181 4.159 4.340 0.000 0.000 0.276 133 R C 1.208 177.568 176.300 0.100 0.000 1.116 133 R CA 1.238 57.410 56.100 0.119 0.000 0.745 133 R CB -1.764 28.598 30.300 0.103 0.000 1.185 133 R HN 2.058 nan 8.270 nan 0.000 0.454 134 G N -0.723 108.134 108.800 0.096 0.000 2.184 134 G HA2 -0.384 3.576 3.960 0.000 0.000 0.264 134 G HA3 -0.384 3.576 3.960 0.000 0.000 0.264 134 G C 0.037 174.989 174.900 0.086 0.000 0.975 134 G CA 0.859 46.004 45.100 0.075 0.000 0.642 134 G HN 0.375 nan 8.290 nan 0.000 0.536 135 K N 1.287 121.762 120.400 0.125 0.000 2.159 135 K HA 0.501 4.821 4.320 0.000 0.000 0.266 135 K C -2.685 173.975 176.600 0.101 0.000 0.975 135 K CA -2.101 54.263 56.287 0.129 0.000 0.865 135 K CB 1.887 34.514 32.500 0.211 0.000 1.087 135 K HN -0.013 nan 8.250 nan 0.000 0.446 136 P HA 0.076 nan 4.420 nan 0.000 0.271 136 P C -0.650 176.611 177.300 -0.065 0.000 1.220 136 P CA -0.019 63.082 63.100 0.002 0.000 0.768 136 P CB 0.427 32.106 31.700 -0.035 0.000 0.848 137 I N 3.340 123.877 120.570 -0.054 0.000 2.404 137 I HA 0.274 4.444 4.170 0.000 0.000 0.293 137 I C 0.866 176.931 176.117 -0.087 0.000 0.992 137 I CA -0.781 60.440 61.300 -0.132 0.000 1.149 137 I CB 0.534 38.419 38.000 -0.192 0.000 1.315 137 I HN 0.429 nan 8.210 nan 0.000 0.446 138 H N 4.783 123.863 119.070 0.016 0.000 2.771 138 H HA 0.216 4.772 4.556 0.000 0.000 0.364 138 H C 0.228 175.623 175.328 0.112 0.000 1.133 138 H CA 0.410 56.528 56.048 0.116 0.000 1.423 138 H CB 0.674 30.492 29.762 0.093 0.000 1.425 138 H HN 0.432 nan 8.280 nan 0.000 0.606 139 H N 0.685 119.965 119.070 0.350 0.000 2.500 139 H HA 0.155 4.711 4.556 0.000 0.000 0.351 139 H C -0.814 174.707 175.328 0.321 0.000 1.281 139 H CA -0.393 55.856 56.048 0.335 0.000 1.368 139 H CB 1.302 31.247 29.762 0.304 0.000 1.616 139 H HN 0.369 nan 8.280 nan 0.000 0.591 140 F N 1.679 121.764 119.950 0.225 0.000 2.500 140 F HA 0.203 4.731 4.527 0.000 0.000 0.349 140 F C -0.086 175.784 175.800 0.117 0.000 1.127 140 F CA -1.101 56.970 58.000 0.117 0.000 0.998 140 F CB -0.229 38.800 39.000 0.048 0.000 1.237 140 F HN 0.548 nan 8.300 nan 0.000 0.439 141 L N 6.062 127.188 121.223 -0.163 0.000 3.737 141 L HA -0.257 4.083 4.340 0.000 0.000 0.418 141 L C 1.167 177.998 176.870 -0.065 0.000 1.216 141 L CA 0.881 55.581 54.840 -0.234 0.000 0.915 141 L CB -1.766 39.969 42.059 -0.539 0.000 1.834 141 L HN 1.148 nan 8.230 nan 0.000 0.943 142 G N -0.799 108.025 108.800 0.039 0.000 2.283 142 G HA2 -0.359 3.601 3.960 0.000 0.000 0.280 142 G HA3 -0.359 3.601 3.960 0.000 0.000 0.280 142 G C 0.661 175.615 174.900 0.089 0.000 1.029 142 G CA 1.408 46.534 45.100 0.044 0.000 0.840 142 G HN 0.781 nan 8.290 nan 0.000 0.505 143 T N -5.362 109.281 114.554 0.147 0.000 3.422 143 T HA 0.503 4.854 4.350 0.000 0.000 0.179 143 T C 0.990 175.824 174.700 0.223 0.000 0.946 143 T CA 1.036 63.223 62.100 0.145 0.000 1.025 143 T CB 0.322 69.251 68.868 0.103 0.000 1.298 143 T HN 1.408 nan 8.240 nan 0.000 0.312 144 S N 1.865 117.691 115.700 0.210 0.000 3.578 144 S HA -0.110 4.360 4.470 0.000 0.000 0.449 144 S C 0.724 175.389 174.600 0.109 0.000 0.853 144 S CA 0.685 58.984 58.200 0.166 0.000 1.348 144 S CB -1.717 61.600 63.200 0.196 0.000 0.907 144 S HN 1.216 nan 8.310 nan 0.000 0.627 145 T N -2.348 112.216 114.554 0.018 0.000 3.086 145 T HA 0.300 4.650 4.350 0.000 0.000 0.250 145 T C 0.292 175.100 174.700 0.180 0.000 1.074 145 T CA -0.109 62.007 62.100 0.027 0.000 0.988 145 T CB -0.161 68.701 68.868 -0.010 0.000 0.988 145 T HN 0.323 nan 8.240 nan 0.000 0.530 146 F N 3.211 123.229 119.950 0.114 0.000 2.669 146 F HA 0.676 5.203 4.527 0.000 0.000 0.353 146 F C 0.785 176.702 175.800 0.195 0.000 1.192 146 F CA -1.459 56.668 58.000 0.212 0.000 1.317 146 F CB -1.017 38.057 39.000 0.122 0.000 1.652 146 F HN 0.244 nan 8.300 nan 0.000 0.608 147 S N -0.216 115.592 115.700 0.180 0.000 2.543 147 S HA 0.250 4.721 4.470 0.000 0.000 0.274 147 S C 0.438 174.908 174.600 -0.218 0.000 1.149 147 S CA -0.555 57.701 58.200 0.093 0.000 0.866 147 S CB 1.277 64.548 63.200 0.118 0.000 1.111 147 S HN 0.367 nan 8.310 nan 0.000 0.457 148 Q N 0.663 120.414 119.800 -0.081 0.000 2.224 148 Q HA 0.065 4.405 4.340 0.000 0.000 0.203 148 Q C -0.684 175.060 176.000 -0.427 0.000 0.970 148 Q CA 1.310 56.934 55.803 -0.298 0.000 0.865 148 Q CB 0.082 28.906 28.738 0.144 0.000 0.922 148 Q HN 0.643 nan 8.270 nan 0.000 0.445 149 Y N -1.629 118.612 120.300 -0.098 0.000 2.524 149 Y HA 0.421 4.971 4.550 0.000 0.000 0.347 149 Y C -0.036 175.892 175.900 0.048 0.000 1.005 149 Y CA -0.691 57.373 58.100 -0.060 0.000 1.025 149 Y CB 2.460 40.912 38.460 -0.013 0.000 1.275 149 Y HN -0.309 nan 8.280 nan 0.000 0.460 150 T N 1.062 115.704 114.554 0.147 0.000 2.838 150 T HA 0.802 5.152 4.350 0.000 0.000 0.292 150 T C -1.989 172.753 174.700 0.070 0.000 1.113 150 T CA -0.573 61.648 62.100 0.202 0.000 1.008 150 T CB 1.235 70.253 68.868 0.250 0.000 1.259 150 T HN 0.315 nan 8.240 nan 0.000 0.520 151 V N 2.947 122.876 119.914 0.024 0.000 2.482 151 V HA 0.639 4.759 4.120 0.000 0.000 0.295 151 V C -0.016 176.101 176.094 0.037 0.000 1.026 151 V CA -0.753 61.546 62.300 -0.002 0.000 0.856 151 V CB 1.167 32.945 31.823 -0.076 0.000 1.001 151 V HN 0.841 nan 8.190 nan 0.000 0.424 152 V N 0.486 120.411 119.914 0.019 0.000 2.881 152 V HA 0.692 4.812 4.120 0.000 0.000 0.316 152 V C -0.194 175.887 176.094 -0.021 0.000 1.070 152 V CA -0.773 61.530 62.300 0.005 0.000 0.976 152 V CB 2.060 33.892 31.823 0.017 0.000 1.038 152 V HN 0.706 nan 8.190 nan 0.000 0.446 153 D N 1.332 121.710 120.400 -0.036 0.000 2.339 153 D HA 0.105 4.745 4.640 0.000 0.000 0.245 153 D C 0.893 177.185 176.300 -0.013 0.000 1.115 153 D CA 0.288 54.272 54.000 -0.027 0.000 0.917 153 D CB 1.929 42.703 40.800 -0.045 0.000 1.192 153 D HN 0.930 nan 8.370 nan 0.000 0.428 154 E N 1.167 121.373 120.200 0.010 0.000 2.085 154 E HA -0.195 4.155 4.350 0.000 0.000 0.194 154 E C 1.959 178.550 176.600 -0.014 0.000 0.994 154 E CA 0.983 57.391 56.400 0.013 0.000 0.801 154 E CB -0.058 29.677 29.700 0.059 0.000 0.743 154 E HN 0.602 nan 8.360 nan 0.000 0.453 155 I N -1.736 118.814 120.570 -0.033 0.000 3.241 155 I HA -0.023 4.148 4.170 0.000 0.000 0.280 155 I C 0.928 177.012 176.117 -0.055 0.000 1.320 155 I CA 0.785 62.057 61.300 -0.047 0.000 1.413 155 I CB 0.223 38.186 38.000 -0.062 0.000 1.060 155 I HN -0.109 nan 8.210 nan 0.000 0.500 156 S N 0.546 116.215 115.700 -0.051 0.000 2.601 156 S HA 0.395 4.865 4.470 0.000 0.000 0.244 156 S C -0.017 174.551 174.600 -0.053 0.000 1.001 156 S CA -0.290 57.873 58.200 -0.063 0.000 0.984 156 S CB 0.596 63.764 63.200 -0.055 0.000 0.842 156 S HN 0.346 nan 8.310 nan 0.000 0.474 157 V N 0.905 120.794 119.914 -0.041 0.000 2.971 157 V HA 0.907 5.028 4.120 0.000 0.000 0.309 157 V C -1.707 174.371 176.094 -0.027 0.000 1.130 157 V CA -0.672 61.608 62.300 -0.033 0.000 0.964 157 V CB 1.948 33.759 31.823 -0.020 0.000 1.029 157 V HN 0.222 nan 8.190 nan 0.000 0.427 158 A N 5.020 127.826 122.820 -0.024 0.000 2.371 158 A HA 0.742 5.063 4.320 0.000 0.000 0.311 158 A C -0.764 176.815 177.584 -0.008 0.000 1.068 158 A CA -0.798 51.231 52.037 -0.013 0.000 0.744 158 A CB 1.594 20.589 19.000 -0.008 0.000 1.239 158 A HN 0.929 nan 8.150 nan 0.000 0.435 159 K N 2.687 123.085 120.400 -0.003 0.000 2.276 159 K HA 0.557 4.877 4.320 0.000 0.000 0.283 159 K C -0.530 176.071 176.600 0.001 0.000 1.044 159 K CA -0.181 56.104 56.287 -0.003 0.000 0.944 159 K CB 0.195 32.694 32.500 -0.001 0.000 1.012 159 K HN 0.681 nan 8.250 nan 0.000 0.472 160 I N -0.721 119.849 120.570 0.001 0.000 3.294 160 I HA 0.378 4.548 4.170 0.000 0.000 0.311 160 I C -0.424 175.696 176.117 0.005 0.000 1.111 160 I CA -1.345 59.958 61.300 0.006 0.000 0.976 160 I CB 1.114 39.118 38.000 0.007 0.000 1.260 160 I HN 0.476 nan 8.210 nan 0.000 0.474 161 D N 1.738 122.144 120.400 0.009 0.000 2.531 161 D HA 0.108 4.748 4.640 0.000 0.000 0.239 161 D C 1.112 177.415 176.300 0.005 0.000 1.144 161 D CA 0.694 54.698 54.000 0.007 0.000 0.869 161 D CB 1.626 42.431 40.800 0.009 0.000 1.160 161 D HN 0.735 nan 8.370 nan 0.000 0.484 162 A N 3.851 126.671 122.820 0.001 0.000 2.076 162 A HA -0.019 4.302 4.320 0.000 0.000 0.220 162 A C 1.831 179.415 177.584 0.000 0.000 1.160 162 A CA 1.748 53.784 52.037 -0.001 0.000 0.653 162 A CB -0.305 18.693 19.000 -0.003 0.000 0.801 162 A HN 0.650 nan 8.150 nan 0.000 0.455 163 A N -0.027 122.794 122.820 0.002 0.000 2.423 163 A HA 0.452 4.772 4.320 0.000 0.000 0.246 163 A C 1.011 178.605 177.584 0.016 0.000 1.278 163 A CA 0.490 52.528 52.037 0.003 0.000 0.903 163 A CB -0.475 18.521 19.000 -0.007 0.000 0.997 163 A HN 0.573 nan 8.150 nan 0.000 0.510 164 S N 1.272 116.988 115.700 0.027 0.000 2.580 164 S HA 0.450 4.920 4.470 0.000 0.000 0.274 164 S C -2.755 171.875 174.600 0.050 0.000 1.329 164 S CA -1.369 56.867 58.200 0.061 0.000 1.036 164 S CB 0.425 63.665 63.200 0.067 0.000 0.919 164 S HN 0.226 nan 8.310 nan 0.000 0.515 165 P HA 0.203 nan 4.420 nan 0.000 0.271 165 P C 0.617 177.926 177.300 0.014 0.000 1.380 165 P CA -0.303 62.830 63.100 0.055 0.000 0.992 165 P CB 0.139 31.895 31.700 0.093 0.000 1.230 166 L N 2.346 123.571 121.223 0.003 0.000 2.261 166 L HA -0.179 4.161 4.340 0.000 0.000 0.216 166 L C 2.330 179.193 176.870 -0.012 0.000 1.114 166 L CA 1.427 56.260 54.840 -0.012 0.000 0.777 166 L CB -0.660 41.395 42.059 -0.006 0.000 0.910 166 L HN 0.382 nan 8.230 nan 0.000 0.440 167 E N 0.401 120.601 120.200 0.000 0.000 2.427 167 E HA -0.174 4.176 4.350 0.000 0.000 0.196 167 E C 1.471 178.058 176.600 -0.021 0.000 1.028 167 E CA 0.842 57.246 56.400 0.007 0.000 0.864 167 E CB 0.256 29.967 29.700 0.019 0.000 0.813 167 E HN 0.340 nan 8.360 nan 0.000 0.514 168 K N 0.590 120.952 120.400 -0.063 0.000 2.214 168 K HA 0.056 4.376 4.320 0.000 0.000 0.210 168 K C 2.053 178.494 176.600 -0.266 0.000 1.036 168 K CA 1.178 57.372 56.287 -0.154 0.000 0.958 168 K CB -0.235 32.157 32.500 -0.180 0.000 0.973 168 K HN 0.073 nan 8.250 nan 0.000 0.466 169 V N 0.627 120.362 119.914 -0.298 0.000 3.330 169 V HA -0.195 3.925 4.120 0.000 0.000 0.273 169 V C 1.834 177.859 176.094 -0.115 0.000 1.179 169 V CA 1.450 63.584 62.300 -0.276 0.000 1.174 169 V CB -1.973 29.723 31.823 -0.211 0.000 0.794 169 V HN 0.439 nan 8.190 nan 0.000 0.527 170 C N -0.895 118.364 119.300 -0.069 0.000 2.432 170 C HA 0.099 4.559 4.460 0.000 0.000 0.280 170 C C 2.404 177.402 174.990 0.013 0.000 1.353 170 C CA 0.268 59.279 59.018 -0.012 0.000 1.766 170 C CB -1.691 26.055 27.740 0.010 0.000 1.924 170 C HN 0.560 nan 8.230 nan 0.000 0.509 171 L N 0.956 122.175 121.223 -0.006 0.000 2.131 171 L HA -0.081 4.259 4.340 0.000 0.000 0.210 171 L C 2.617 179.566 176.870 0.130 0.000 1.092 171 L CA 1.489 56.361 54.840 0.053 0.000 0.759 171 L CB -0.577 41.495 42.059 0.021 0.000 0.903 171 L HN 0.317 nan 8.230 nan 0.000 0.435 172 I N 0.095 120.714 120.570 0.082 0.000 2.916 172 I HA -0.156 4.014 4.170 0.000 0.000 0.267 172 I C 2.364 178.650 176.117 0.281 0.000 1.263 172 I CA 0.880 62.282 61.300 0.169 0.000 1.471 172 I CB -0.536 37.506 38.000 0.069 0.000 1.089 172 I HN 0.243 nan 8.210 nan 0.000 0.468 173 G N -0.830 108.108 108.800 0.229 0.000 2.511 173 G HA2 -0.142 3.818 3.960 0.000 0.000 0.217 173 G HA3 -0.142 3.818 3.960 0.000 0.000 0.217 173 G C 1.146 176.300 174.900 0.424 0.000 1.133 173 G CA 0.893 46.126 45.100 0.221 0.000 0.792 173 G HN 0.491 nan 8.290 nan 0.000 0.539 174 C N -2.574 117.045 119.300 0.531 0.000 3.347 174 C HA 0.464 4.924 4.460 0.000 0.000 0.136 174 C C 2.871 178.162 174.990 0.501 0.000 2.677 174 C CA 1.505 60.951 59.018 0.713 0.000 0.851 174 C CB -0.434 27.616 27.740 0.516 0.000 1.376 174 C HN 0.410 nan 8.230 nan 0.000 0.674 175 G N 0.998 109.986 108.800 0.313 0.000 2.681 175 G HA2 -0.343 3.617 3.960 0.000 0.000 0.220 175 G HA3 -0.343 3.617 3.960 0.000 0.000 0.220 175 G C 1.334 176.335 174.900 0.168 0.000 1.210 175 G CA 1.909 47.136 45.100 0.213 0.000 0.783 175 G HN 0.665 nan 8.290 nan 0.000 0.609 176 F N 2.057 122.037 119.950 0.050 0.000 2.075 176 F HA -0.080 4.447 4.527 0.000 0.000 0.297 176 F C 3.069 178.837 175.800 -0.053 0.000 1.113 176 F CA 2.059 60.035 58.000 -0.040 0.000 1.218 176 F CB -0.461 38.452 39.000 -0.144 0.000 0.984 176 F HN 0.188 nan 8.300 nan 0.000 0.472 177 S N -0.174 115.504 115.700 -0.037 0.000 2.359 177 S HA -0.244 4.226 4.470 0.000 0.000 0.223 177 S C 1.971 176.461 174.600 -0.185 0.000 1.039 177 S CA 1.988 60.060 58.200 -0.212 0.000 1.042 177 S CB -1.048 61.903 63.200 -0.415 0.000 0.915 177 S HN 0.503 nan 8.310 nan 0.000 0.439 178 T N 1.722 116.238 114.554 -0.063 0.000 2.652 178 T HA -0.069 4.281 4.350 0.000 0.000 0.267 178 T C 2.080 176.734 174.700 -0.076 0.000 1.039 178 T CA 1.465 63.574 62.100 0.015 0.000 1.153 178 T CB -1.069 67.923 68.868 0.206 0.000 0.863 178 T HN 0.560 nan 8.240 nan 0.000 0.428 179 G N -0.032 108.696 108.800 -0.119 0.000 2.511 179 G HA2 -0.278 3.682 3.960 0.000 0.000 0.216 179 G HA3 -0.278 3.682 3.960 0.000 0.000 0.216 179 G C 1.350 176.085 174.900 -0.275 0.000 1.218 179 G CA 0.999 45.989 45.100 -0.185 0.000 0.788 179 G HN 0.475 nan 8.290 nan 0.000 0.560 180 Y N 1.921 121.878 120.300 -0.571 0.000 2.114 180 Y HA -0.154 4.396 4.550 0.000 0.000 0.282 180 Y C 2.926 178.629 175.900 -0.328 0.000 1.165 180 Y CA 1.922 59.683 58.100 -0.565 0.000 1.148 180 Y CB -0.603 37.235 38.460 -1.037 0.000 0.972 180 Y HN 0.154 nan 8.280 nan 0.000 0.504 181 G N -1.709 107.014 108.800 -0.129 0.000 2.402 181 G HA2 -0.241 3.719 3.960 0.000 0.000 0.216 181 G HA3 -0.241 3.719 3.960 0.000 0.000 0.216 181 G C 1.905 176.586 174.900 -0.365 0.000 1.162 181 G CA 1.006 45.849 45.100 -0.428 0.000 0.777 181 G HN 0.423 nan 8.290 nan 0.000 0.539 182 S N 1.019 116.575 115.700 -0.240 0.000 2.372 182 S HA -0.190 4.280 4.470 0.000 0.000 0.227 182 S C 2.722 177.314 174.600 -0.013 0.000 1.044 182 S CA 1.625 59.772 58.200 -0.088 0.000 1.050 182 S CB -0.428 62.768 63.200 -0.005 0.000 0.901 182 S HN 0.637 nan 8.310 nan 0.000 0.447 183 A N 0.587 123.279 122.820 -0.214 0.000 1.840 183 A HA 0.029 4.349 4.320 0.000 0.000 0.214 183 A C 2.367 179.809 177.584 -0.237 0.000 1.198 183 A CA 1.459 53.364 52.037 -0.219 0.000 0.608 183 A CB -0.850 17.872 19.000 -0.463 0.000 0.839 183 A HN 0.341 nan 8.150 nan 0.000 0.443 184 V N -0.145 119.553 119.914 -0.360 0.000 2.488 184 V HA -0.119 4.001 4.120 0.000 0.000 0.246 184 V C 2.481 178.438 176.094 -0.229 0.000 1.046 184 V CA 2.269 64.381 62.300 -0.312 0.000 1.053 184 V CB -0.398 31.177 31.823 -0.412 0.000 0.679 184 V HN 0.650 nan 8.190 nan 0.000 0.458 185 K N -0.651 119.587 120.400 -0.271 0.000 2.214 185 K HA 0.023 4.343 4.320 0.000 0.000 0.201 185 K C 1.930 178.424 176.600 -0.177 0.000 1.049 185 K CA 0.748 56.885 56.287 -0.250 0.000 0.978 185 K CB 0.462 32.676 32.500 -0.476 0.000 0.842 185 K HN 0.260 nan 8.250 nan 0.000 0.474 186 V N 0.947 120.766 119.914 -0.159 0.000 2.300 186 V HA -0.028 4.092 4.120 0.000 0.000 0.241 186 V C 2.300 178.381 176.094 -0.022 0.000 1.034 186 V CA 1.827 64.079 62.300 -0.081 0.000 1.021 186 V CB -0.173 31.613 31.823 -0.062 0.000 0.662 186 V HN 0.399 nan 8.190 nan 0.000 0.458 187 A N -1.278 121.545 122.820 0.004 0.000 1.930 187 A HA -0.053 4.267 4.320 0.000 0.000 0.215 187 A C 1.236 178.778 177.584 -0.070 0.000 1.176 187 A CA 0.978 53.025 52.037 0.016 0.000 0.632 187 A CB -0.288 18.713 19.000 0.002 0.000 0.819 187 A HN 0.557 nan 8.150 nan 0.000 0.445 188 K N -0.758 119.544 120.400 -0.162 0.000 3.372 188 K HA -0.099 4.221 4.320 0.000 0.000 0.272 188 K C -0.495 175.866 176.600 -0.399 0.000 1.037 188 K CA 0.260 56.435 56.287 -0.187 0.000 0.777 188 K CB -2.002 30.462 32.500 -0.061 0.000 1.347 188 K HN 0.259 nan 8.250 nan 0.000 0.460 189 V N 1.430 120.962 119.914 -0.637 0.000 2.814 189 V HA -0.055 4.065 4.120 0.000 0.000 0.307 189 V C 1.261 177.121 176.094 -0.390 0.000 1.089 189 V CA 0.981 62.686 62.300 -0.992 0.000 1.212 189 V CB 0.952 32.433 31.823 -0.570 0.000 0.912 189 V HN 0.547 nan 8.190 nan 0.000 0.497 190 T N 2.775 117.248 114.554 -0.135 0.000 2.925 190 T HA 0.420 4.770 4.350 0.000 0.000 0.285 190 T C -0.331 174.402 174.700 0.054 0.000 1.021 190 T CA -0.750 61.377 62.100 0.046 0.000 1.042 190 T CB 1.434 70.409 68.868 0.179 0.000 1.037 190 T HN 0.672 nan 8.240 nan 0.000 0.481 191 Q N 0.253 120.072 119.800 0.032 0.000 2.330 191 Q HA 0.340 4.680 4.340 0.000 0.000 0.279 191 Q C 1.413 177.442 176.000 0.049 0.000 1.024 191 Q CA 1.405 57.227 55.803 0.031 0.000 0.900 191 Q CB -0.110 28.640 28.738 0.020 0.000 1.221 191 Q HN 1.284 nan 8.270 nan 0.000 0.396 192 G N 2.286 111.116 108.800 0.049 0.000 2.205 192 G HA2 -0.337 3.623 3.960 0.000 0.000 0.261 192 G HA3 -0.337 3.623 3.960 0.000 0.000 0.261 192 G C 0.190 175.136 174.900 0.077 0.000 0.980 192 G CA 0.470 45.601 45.100 0.051 0.000 0.632 192 G HN 0.922 nan 8.290 nan 0.000 0.533 193 S N -0.536 115.237 115.700 0.122 0.000 2.606 193 S HA 0.603 5.073 4.470 0.000 0.000 0.257 193 S C 0.155 174.853 174.600 0.163 0.000 1.327 193 S CA 0.854 59.166 58.200 0.186 0.000 0.984 193 S CB 1.539 64.977 63.200 0.395 0.000 0.941 193 S HN 0.646 nan 8.310 nan 0.000 0.576 194 T N 1.172 115.832 114.554 0.177 0.000 2.786 194 T HA 0.554 4.904 4.350 0.000 0.000 0.283 194 T C -0.604 174.218 174.700 0.203 0.000 0.992 194 T CA -0.455 61.728 62.100 0.139 0.000 0.954 194 T CB 0.189 69.108 68.868 0.084 0.000 0.934 194 T HN 0.767 nan 8.240 nan 0.000 0.440 195 C N 2.669 122.088 119.300 0.199 0.000 2.529 195 C HA 0.957 5.417 4.460 0.000 0.000 0.329 195 C C 0.263 175.378 174.990 0.209 0.000 1.194 195 C CA -0.766 58.422 59.018 0.284 0.000 1.779 195 C CB 1.006 28.943 27.740 0.328 0.000 2.322 195 C HN 0.993 nan 8.230 nan 0.000 0.500 196 A N 1.645 124.624 122.820 0.265 0.000 2.353 196 A HA 0.727 5.047 4.320 0.000 0.000 0.299 196 A C -1.150 176.640 177.584 0.344 0.000 1.089 196 A CA -0.246 51.903 52.037 0.188 0.000 0.736 196 A CB 0.801 19.891 19.000 0.150 0.000 1.195 196 A HN 0.710 nan 8.150 nan 0.000 0.447 197 V N 3.120 123.147 119.914 0.188 0.000 2.328 197 V HA 0.385 4.505 4.120 0.000 0.000 0.278 197 V C -1.049 175.131 176.094 0.143 0.000 1.021 197 V CA -0.222 62.228 62.300 0.250 0.000 0.838 197 V CB 0.468 32.351 31.823 0.100 0.000 0.999 197 V HN 0.688 nan 8.190 nan 0.000 0.447 198 F N 3.113 123.156 119.950 0.155 0.000 2.391 198 F HA 0.726 5.253 4.527 0.000 0.000 0.359 198 F C 0.901 176.774 175.800 0.122 0.000 1.122 198 F CA -0.249 57.826 58.000 0.126 0.000 1.120 198 F CB 1.408 40.477 39.000 0.116 0.000 1.142 198 F HN 0.731 nan 8.300 nan 0.000 0.483 199 G N 4.155 113.091 108.800 0.226 0.000 3.435 199 G HA2 -0.071 3.889 3.960 0.000 0.000 0.683 199 G HA3 -0.071 3.889 3.960 0.000 0.000 0.683 199 G C -0.915 174.069 174.900 0.140 0.000 1.189 199 G CA -1.115 44.096 45.100 0.185 0.000 1.069 199 G HN 0.655 nan 8.290 nan 0.000 0.508 200 L N 2.684 123.983 121.223 0.127 0.000 3.141 200 L HA 0.464 4.804 4.340 0.000 0.000 0.263 200 L C 1.513 178.437 176.870 0.091 0.000 1.312 200 L CA 0.053 54.961 54.840 0.113 0.000 1.012 200 L CB 0.263 42.413 42.059 0.150 0.000 1.408 200 L HN 0.724 nan 8.230 nan 0.000 0.559 201 G N -0.574 108.276 108.800 0.083 0.000 2.509 201 G HA2 0.349 4.309 3.960 0.000 0.000 0.269 201 G HA3 0.349 4.309 3.960 0.000 0.000 0.269 201 G C 1.043 175.984 174.900 0.069 0.000 1.416 201 G CA 0.212 45.353 45.100 0.069 0.000 1.052 201 G HN 0.247 nan 8.290 nan 0.000 0.542 202 G N -1.317 107.521 108.800 0.065 0.000 2.442 202 G HA2 -0.153 3.807 3.960 0.000 0.000 0.219 202 G HA3 -0.153 3.807 3.960 0.000 0.000 0.219 202 G C 1.576 176.521 174.900 0.076 0.000 1.141 202 G CA 1.553 46.698 45.100 0.075 0.000 0.763 202 G HN 0.418 nan 8.290 nan 0.000 0.554 203 V N 1.274 121.230 119.914 0.070 0.000 2.407 203 V HA 0.031 4.151 4.120 0.000 0.000 0.245 203 V C 3.115 179.220 176.094 0.018 0.000 1.041 203 V CA 1.695 64.027 62.300 0.052 0.000 1.040 203 V CB -0.986 30.882 31.823 0.076 0.000 0.671 203 V HN 0.414 nan 8.190 nan 0.000 0.455 204 G N 0.185 109.009 108.800 0.040 0.000 2.418 204 G HA2 -0.205 3.755 3.960 0.000 0.000 0.217 204 G HA3 -0.205 3.755 3.960 0.000 0.000 0.217 204 G C 1.605 176.503 174.900 -0.003 0.000 1.158 204 G CA 0.926 46.040 45.100 0.025 0.000 0.771 204 G HN 0.458 nan 8.290 nan 0.000 0.545 205 L N 0.944 122.187 121.223 0.033 0.000 2.083 205 L HA -0.084 4.256 4.340 0.000 0.000 0.209 205 L C 3.173 180.065 176.870 0.036 0.000 1.083 205 L CA 1.293 56.162 54.840 0.047 0.000 0.752 205 L CB -0.301 41.806 42.059 0.079 0.000 0.899 205 L HN 0.187 nan 8.230 nan 0.000 0.433 206 S N -0.709 115.004 115.700 0.021 0.000 2.402 206 S HA -0.119 4.351 4.470 0.000 0.000 0.229 206 S C 2.046 176.563 174.600 -0.139 0.000 1.021 206 S CA 0.910 59.092 58.200 -0.030 0.000 0.974 206 S CB -0.252 62.869 63.200 -0.132 0.000 0.800 206 S HN 0.154 nan 8.310 nan 0.000 0.484 207 V N 2.377 122.175 119.914 -0.193 0.000 2.343 207 V HA -0.165 3.955 4.120 0.000 0.000 0.247 207 V C 2.094 177.980 176.094 -0.348 0.000 1.051 207 V CA 1.514 63.584 62.300 -0.383 0.000 1.036 207 V CB -0.636 30.884 31.823 -0.505 0.000 0.654 207 V HN 0.475 nan 8.190 nan 0.000 0.451 208 I N -0.889 119.572 120.570 -0.182 0.000 2.252 208 I HA -0.299 3.872 4.170 0.000 0.000 0.245 208 I C 2.484 178.568 176.117 -0.054 0.000 1.102 208 I CA 1.717 62.953 61.300 -0.106 0.000 1.385 208 I CB -0.305 37.677 38.000 -0.029 0.000 1.064 208 I HN 0.293 nan 8.210 nan 0.000 0.414 209 M N 0.302 119.915 119.600 0.022 0.000 2.108 209 M HA -0.146 4.334 4.480 0.000 0.000 0.261 209 M C 2.331 178.678 176.300 0.077 0.000 1.066 209 M CA 2.095 57.484 55.300 0.148 0.000 1.107 209 M CB -0.790 32.010 32.600 0.334 0.000 1.356 209 M HN 0.351 nan 8.290 nan 0.000 0.406 210 G N -0.736 107.952 108.800 -0.187 0.000 2.408 210 G HA2 -0.172 3.788 3.960 0.000 0.000 0.217 210 G HA3 -0.172 3.788 3.960 0.000 0.000 0.217 210 G C 1.484 176.157 174.900 -0.379 0.000 1.150 210 G CA 0.827 45.532 45.100 -0.658 0.000 0.776 210 G HN 0.466 nan 8.290 nan 0.000 0.542 211 C N 0.138 119.274 119.300 -0.273 0.000 2.429 211 C HA 0.042 4.502 4.460 0.000 0.000 0.277 211 C C 2.718 177.653 174.990 -0.092 0.000 1.262 211 C CA 1.207 60.121 59.018 -0.174 0.000 1.733 211 C CB -0.595 27.079 27.740 -0.108 0.000 2.010 211 C HN 0.571 nan 8.230 nan 0.000 0.483 212 K N 1.179 121.548 120.400 -0.051 0.000 2.097 212 K HA -0.086 4.234 4.320 0.000 0.000 0.205 212 K C 2.018 178.626 176.600 0.014 0.000 1.050 212 K CA 1.486 57.775 56.287 0.003 0.000 0.938 212 K CB -0.247 32.276 32.500 0.037 0.000 0.718 212 K HN 0.408 nan 8.250 nan 0.000 0.442 213 A N 0.637 123.465 122.820 0.013 0.000 2.014 213 A HA 0.038 4.358 4.320 0.000 0.000 0.218 213 A C 2.160 179.736 177.584 -0.014 0.000 1.163 213 A CA 1.378 53.443 52.037 0.048 0.000 0.652 213 A CB -0.483 18.600 19.000 0.139 0.000 0.808 213 A HN 0.437 nan 8.150 nan 0.000 0.449 214 A N -1.666 121.102 122.820 -0.086 0.000 2.167 214 A HA 0.388 4.708 4.320 0.000 0.000 0.214 214 A C 1.721 179.278 177.584 -0.045 0.000 1.151 214 A CA 1.322 53.303 52.037 -0.094 0.000 0.735 214 A CB -0.734 18.162 19.000 -0.173 0.000 0.802 214 A HN 1.839 nan 8.150 nan 0.000 0.467 215 G N -2.101 106.687 108.800 -0.020 0.000 2.131 215 G HA2 0.186 4.146 3.960 0.000 0.000 0.201 215 G HA3 0.186 4.146 3.960 0.000 0.000 0.201 215 G C 0.290 175.199 174.900 0.015 0.000 1.000 215 G CA 0.110 45.213 45.100 0.005 0.000 0.680 215 G HN 1.493 nan 8.290 nan 0.000 0.514 216 A N -0.126 122.701 122.820 0.011 0.000 2.511 216 A HA 0.758 5.078 4.320 0.000 0.000 0.242 216 A C 1.573 179.182 177.584 0.042 0.000 1.069 216 A CA 1.102 53.163 52.037 0.040 0.000 0.763 216 A CB 0.649 19.677 19.000 0.047 0.000 1.001 216 A HN 1.783 nan 8.150 nan 0.000 0.498 217 A N 2.849 125.700 122.820 0.053 0.000 2.030 217 A HA 0.232 4.552 4.320 0.000 0.000 0.215 217 A C 1.169 178.776 177.584 0.038 0.000 1.164 217 A CA 0.641 52.703 52.037 0.041 0.000 0.697 217 A CB 0.129 19.153 19.000 0.040 0.000 0.827 217 A HN 0.765 nan 8.150 nan 0.000 0.457 218 R N -1.035 119.494 120.500 0.048 0.000 2.628 218 R HA 0.698 5.038 4.340 0.000 0.000 0.288 218 R C -1.860 174.468 176.300 0.047 0.000 0.980 218 R CA -0.344 55.779 56.100 0.038 0.000 0.891 218 R CB 1.857 32.177 30.300 0.034 0.000 1.188 218 R HN 0.217 nan 8.270 nan 0.000 0.450 219 I N 4.505 125.091 120.570 0.027 0.000 2.503 219 I HA 0.328 4.498 4.170 0.000 0.000 0.282 219 I C -0.655 175.460 176.117 -0.004 0.000 1.059 219 I CA -0.301 61.018 61.300 0.032 0.000 1.081 219 I CB 1.788 39.801 38.000 0.022 0.000 1.210 219 I HN 0.424 nan 8.210 nan 0.000 0.450 220 I N 5.378 125.940 120.570 -0.014 0.000 2.304 220 I HA 0.417 4.587 4.170 0.000 0.000 0.291 220 I C 0.879 176.927 176.117 -0.115 0.000 1.018 220 I CA -0.322 60.931 61.300 -0.080 0.000 1.260 220 I CB 1.294 39.238 38.000 -0.093 0.000 1.390 220 I HN 0.588 nan 8.210 nan 0.000 0.475 221 G N 5.621 114.332 108.800 -0.148 0.000 2.377 221 G HA2 0.557 4.517 3.960 0.000 0.000 0.299 221 G HA3 0.557 4.517 3.960 0.000 0.000 0.299 221 G C -0.724 174.042 174.900 -0.222 0.000 1.150 221 G CA -0.261 44.758 45.100 -0.135 0.000 0.847 221 G HN 0.362 nan 8.290 nan 0.000 0.501 222 V N 2.664 122.455 119.914 -0.205 0.000 2.531 222 V HA 0.581 4.701 4.120 0.000 0.000 0.301 222 V C -0.931 175.187 176.094 0.040 0.000 1.034 222 V CA -0.680 61.491 62.300 -0.215 0.000 0.865 222 V CB 1.881 33.288 31.823 -0.694 0.000 0.995 222 V HN 0.832 nan 8.190 nan 0.000 0.424 223 D N 2.392 122.944 120.400 0.255 0.000 2.654 223 D HA 0.343 4.983 4.640 0.000 0.000 0.231 223 D C 0.404 176.845 176.300 0.234 0.000 1.239 223 D CA -0.481 53.675 54.000 0.260 0.000 0.790 223 D CB 2.458 43.433 40.800 0.291 0.000 1.480 223 D HN 0.503 nan 8.370 nan 0.000 0.442 224 I N -0.247 120.404 120.570 0.134 0.000 3.684 224 I HA 0.257 4.428 4.170 0.000 0.000 0.304 224 I C 0.240 176.351 176.117 -0.010 0.000 1.278 224 I CA 0.091 61.445 61.300 0.090 0.000 1.272 224 I CB -0.115 37.935 38.000 0.082 0.000 1.029 224 I HN 0.093 nan 8.210 nan 0.000 0.458 225 N N 2.498 121.144 118.700 -0.090 0.000 2.706 225 N HA 0.151 4.891 4.740 0.000 0.000 0.240 225 N C 1.068 176.276 175.510 -0.503 0.000 1.039 225 N CA -0.432 52.503 53.050 -0.192 0.000 0.888 225 N CB 0.798 39.217 38.487 -0.113 0.000 1.128 225 N HN 0.272 nan 8.380 nan 0.000 0.512 226 K N 1.598 121.608 120.400 -0.651 0.000 2.360 226 K HA -0.142 4.178 4.320 0.000 0.000 0.201 226 K C 0.255 176.416 176.600 -0.732 0.000 1.046 226 K CA 1.163 56.743 56.287 -1.178 0.000 0.940 226 K CB 0.164 32.336 32.500 -0.547 0.000 0.748 226 K HN 0.367 nan 8.250 nan 0.000 0.465 227 D N 1.325 121.506 120.400 -0.365 0.000 2.309 227 D HA -0.100 4.540 4.640 0.000 0.000 0.212 227 D C 1.295 177.516 176.300 -0.133 0.000 0.968 227 D CA 0.861 54.752 54.000 -0.181 0.000 0.882 227 D CB 0.086 40.824 40.800 -0.103 0.000 0.918 227 D HN 0.225 nan 8.370 nan 0.000 0.503 228 K N 0.027 120.309 120.400 -0.198 0.000 2.418 228 K HA 0.012 4.332 4.320 0.000 0.000 0.195 228 K C 1.680 178.364 176.600 0.141 0.000 1.035 228 K CA 0.066 56.334 56.287 -0.032 0.000 1.003 228 K CB -0.228 32.270 32.500 -0.003 0.000 0.793 228 K HN 0.182 nan 8.250 nan 0.000 0.494 229 F N 1.477 121.441 119.950 0.023 0.000 2.146 229 F HA -0.062 4.465 4.527 0.000 0.000 0.298 229 F C 2.460 178.272 175.800 0.021 0.000 1.096 229 F CA 0.383 58.394 58.000 0.020 0.000 1.275 229 F CB -1.464 37.547 39.000 0.017 0.000 1.008 229 F HN -0.022 nan 8.300 nan 0.000 0.480 230 A N 0.313 123.252 122.820 0.199 0.000 1.859 230 A HA -0.309 4.011 4.320 0.000 0.000 0.217 230 A C 2.266 179.909 177.584 0.098 0.000 1.198 230 A CA 2.444 54.553 52.037 0.120 0.000 0.629 230 A CB -0.897 18.150 19.000 0.078 0.000 0.830 230 A HN 0.248 nan 8.150 nan 0.000 0.446 231 K N 0.092 120.546 120.400 0.090 0.000 2.063 231 K HA -0.037 4.283 4.320 0.000 0.000 0.208 231 K C 1.961 178.614 176.600 0.088 0.000 1.048 231 K CA 1.816 58.151 56.287 0.080 0.000 0.928 231 K CB -0.643 31.901 32.500 0.072 0.000 0.713 231 K HN 0.363 nan 8.250 nan 0.000 0.442 232 A N 0.502 123.388 122.820 0.110 0.000 1.902 232 A HA -0.168 4.152 4.320 0.000 0.000 0.217 232 A C 2.022 179.646 177.584 0.067 0.000 1.181 232 A CA 1.978 54.072 52.037 0.095 0.000 0.623 232 A CB -0.518 18.556 19.000 0.123 0.000 0.818 232 A HN 0.274 nan 8.150 nan 0.000 0.443 233 K N 0.207 120.648 120.400 0.069 0.000 2.026 233 K HA -0.121 4.199 4.320 0.000 0.000 0.208 233 K C 1.863 178.493 176.600 0.049 0.000 1.048 233 K CA 1.849 58.163 56.287 0.045 0.000 0.929 233 K CB -0.331 32.197 32.500 0.047 0.000 0.713 233 K HN 0.695 nan 8.250 nan 0.000 0.439 234 E N -0.196 120.038 120.200 0.058 0.000 2.118 234 E HA -0.163 4.187 4.350 0.000 0.000 0.195 234 E C 1.570 178.206 176.600 0.061 0.000 0.992 234 E CA 1.603 58.036 56.400 0.055 0.000 0.804 234 E CB -0.127 29.605 29.700 0.055 0.000 0.741 234 E HN 0.283 nan 8.360 nan 0.000 0.458 235 V N -3.424 116.532 119.914 0.068 0.000 3.623 235 V HA 0.393 4.513 4.120 0.000 0.000 0.271 235 V C 1.247 177.382 176.094 0.069 0.000 1.248 235 V CA 0.719 63.068 62.300 0.081 0.000 1.156 235 V CB 0.245 32.127 31.823 0.099 0.000 0.870 235 V HN 0.321 nan 8.190 nan 0.000 0.453 236 G N -0.716 108.114 108.800 0.051 0.000 2.935 236 G HA2 0.141 4.101 3.960 0.000 0.000 0.213 236 G HA3 0.141 4.101 3.960 0.000 0.000 0.213 236 G C 0.407 175.321 174.900 0.022 0.000 0.984 236 G CA -0.009 45.114 45.100 0.038 0.000 0.790 236 G HN 1.231 nan 8.290 nan 0.000 0.538 237 A N 1.107 123.937 122.820 0.017 0.000 2.477 237 A HA 0.568 4.888 4.320 0.000 0.000 0.246 237 A C 1.602 179.181 177.584 -0.009 0.000 1.078 237 A CA 1.525 53.560 52.037 -0.004 0.000 0.770 237 A CB 0.310 19.300 19.000 -0.017 0.000 1.011 237 A HN 1.177 nan 8.150 nan 0.000 0.494 238 T N -0.295 114.250 114.554 -0.015 0.000 3.057 238 T HA 0.282 4.632 4.350 0.000 0.000 0.254 238 T C 0.386 175.065 174.700 -0.035 0.000 1.094 238 T CA 0.882 62.974 62.100 -0.014 0.000 1.088 238 T CB -0.065 68.801 68.868 -0.003 0.000 0.934 238 T HN 0.721 nan 8.240 nan 0.000 0.497 239 E N -1.122 119.038 120.200 -0.068 0.000 2.412 239 E HA 0.636 4.986 4.350 0.000 0.000 0.279 239 E C -1.794 174.684 176.600 -0.203 0.000 0.984 239 E CA -0.897 55.439 56.400 -0.107 0.000 0.788 239 E CB 2.373 32.016 29.700 -0.094 0.000 1.277 239 E HN 0.154 nan 8.360 nan 0.000 0.455 240 C N 1.288 120.390 119.300 -0.329 0.000 2.698 240 C HA 0.751 5.211 4.460 0.000 0.000 0.309 240 C C -0.911 173.683 174.990 -0.660 0.000 1.186 240 C CA -0.538 58.085 59.018 -0.658 0.000 1.474 240 C CB 1.301 28.277 27.740 -1.274 0.000 2.020 240 C HN 0.452 nan 8.230 nan 0.000 0.474 241 V N 3.203 122.785 119.914 -0.553 0.000 2.789 241 V HA 0.583 4.703 4.120 0.000 0.000 0.311 241 V C -0.803 175.320 176.094 0.048 0.000 1.073 241 V CA -0.441 61.752 62.300 -0.179 0.000 0.921 241 V CB 2.173 33.923 31.823 -0.121 0.000 1.009 241 V HN 0.830 nan 8.190 nan 0.000 0.426 242 N N 4.676 123.561 118.700 0.308 0.000 2.442 242 N HA 0.464 5.204 4.740 0.000 0.000 0.274 242 N C -2.117 173.597 175.510 0.339 0.000 1.002 242 N CA -2.235 51.049 53.050 0.389 0.000 0.910 242 N CB 2.630 41.357 38.487 0.400 0.000 1.244 242 N HN 0.162 nan 8.380 nan 0.000 0.492 243 P HA -0.116 nan 4.420 nan 0.000 0.222 243 P C 0.447 177.899 177.300 0.253 0.000 1.142 243 P CA 1.342 64.598 63.100 0.260 0.000 0.788 243 P CB 0.361 32.169 31.700 0.179 0.000 0.767 244 Q N -1.388 118.524 119.800 0.188 0.000 2.425 244 Q HA -0.028 4.312 4.340 0.000 0.000 0.204 244 Q C 0.854 176.893 176.000 0.064 0.000 0.933 244 Q CA 0.454 56.325 55.803 0.114 0.000 0.939 244 Q CB -0.090 28.697 28.738 0.081 0.000 1.044 244 Q HN 0.258 nan 8.270 nan 0.000 0.513 245 D N -0.637 119.786 120.400 0.039 0.000 2.348 245 D HA -0.010 4.630 4.640 0.000 0.000 0.211 245 D C -0.459 175.639 176.300 -0.337 0.000 0.998 245 D CA 0.648 54.539 54.000 -0.181 0.000 0.873 245 D CB 0.283 40.885 40.800 -0.331 0.000 0.925 245 D HN 0.144 nan 8.370 nan 0.000 0.524 246 Y N 0.095 120.416 120.300 0.035 0.000 2.420 246 Y HA 0.314 4.864 4.550 0.000 0.000 0.334 246 Y C 1.497 177.412 175.900 0.025 0.000 1.094 246 Y CA -0.700 57.416 58.100 0.027 0.000 1.126 246 Y CB 1.523 39.998 38.460 0.026 0.000 1.217 246 Y HN -0.410 nan 8.280 nan 0.000 0.462 247 K N 1.060 121.562 120.400 0.169 0.000 2.426 247 K HA 0.052 4.372 4.320 0.000 0.000 0.193 247 K C -0.259 176.403 176.600 0.104 0.000 1.028 247 K CA 0.331 56.681 56.287 0.104 0.000 1.047 247 K CB 0.243 32.782 32.500 0.065 0.000 0.821 247 K HN 0.551 nan 8.250 nan 0.000 0.513 248 K N 0.825 121.304 120.400 0.131 0.000 2.221 248 K HA 0.409 4.729 4.320 0.000 0.000 0.243 248 K C -2.904 173.728 176.600 0.053 0.000 0.968 248 K CA -2.433 53.896 56.287 0.070 0.000 0.846 248 K CB 0.697 33.223 32.500 0.044 0.000 1.141 248 K HN -0.338 nan 8.250 nan 0.000 0.434 249 P HA -0.048 nan 4.420 nan 0.000 0.265 249 P C 0.381 177.671 177.300 -0.017 0.000 1.187 249 P CA -0.254 62.856 63.100 0.018 0.000 0.766 249 P CB 0.317 32.021 31.700 0.007 0.000 0.820 250 I N 2.431 123.002 120.570 0.001 0.000 2.614 250 I HA -0.239 3.931 4.170 0.000 0.000 0.258 250 I C 2.109 178.213 176.117 -0.022 0.000 1.189 250 I CA 1.388 62.659 61.300 -0.049 0.000 1.462 250 I CB -0.648 37.379 38.000 0.046 0.000 1.092 250 I HN 0.368 nan 8.210 nan 0.000 0.442 251 Q N 0.253 120.063 119.800 0.018 0.000 2.084 251 Q HA -0.250 4.090 4.340 0.000 0.000 0.202 251 Q C 1.801 177.776 176.000 -0.042 0.000 0.978 251 Q CA 1.888 57.694 55.803 0.005 0.000 0.844 251 Q CB -0.856 27.869 28.738 -0.022 0.000 0.898 251 Q HN 0.595 nan 8.270 nan 0.000 0.426 252 E N 0.812 120.981 120.200 -0.053 0.000 2.031 252 E HA -0.133 4.218 4.350 0.000 0.000 0.193 252 E C 2.323 178.868 176.600 -0.092 0.000 0.994 252 E CA 1.571 57.934 56.400 -0.062 0.000 0.800 252 E CB -0.065 29.606 29.700 -0.048 0.000 0.752 252 E HN 0.178 nan 8.360 nan 0.000 0.447 253 V N 1.647 121.467 119.914 -0.157 0.000 2.252 253 V HA -0.303 3.818 4.120 0.000 0.000 0.249 253 V C 2.385 178.377 176.094 -0.170 0.000 1.056 253 V CA 1.727 63.881 62.300 -0.242 0.000 1.022 253 V CB -0.575 30.903 31.823 -0.575 0.000 0.641 253 V HN 0.267 nan 8.190 nan 0.000 0.445 254 L N -0.452 120.687 121.223 -0.141 0.000 2.046 254 L HA -0.187 4.153 4.340 0.000 0.000 0.208 254 L C 2.655 179.489 176.870 -0.061 0.000 1.077 254 L CA 2.064 56.851 54.840 -0.088 0.000 0.747 254 L CB -1.037 41.002 42.059 -0.034 0.000 0.896 254 L HN 0.363 nan 8.230 nan 0.000 0.432 255 T N -0.716 113.803 114.554 -0.059 0.000 2.708 255 T HA -0.196 4.155 4.350 0.000 0.000 0.266 255 T C 1.710 176.379 174.700 -0.052 0.000 1.037 255 T CA 1.514 63.579 62.100 -0.058 0.000 1.146 255 T CB -0.202 68.627 68.868 -0.064 0.000 0.865 255 T HN 0.403 nan 8.240 nan 0.000 0.435 256 E N 1.497 121.664 120.200 -0.054 0.000 2.023 256 E HA -0.178 4.172 4.350 0.000 0.000 0.196 256 E C 2.335 178.914 176.600 -0.035 0.000 1.003 256 E CA 1.622 57.997 56.400 -0.041 0.000 0.809 256 E CB -0.382 29.294 29.700 -0.039 0.000 0.755 256 E HN 0.649 nan 8.360 nan 0.000 0.449 257 M N 0.437 120.011 119.600 -0.043 0.000 2.358 257 M HA -0.025 4.455 4.480 0.000 0.000 0.264 257 M C 1.843 178.129 176.300 -0.023 0.000 1.064 257 M CA 1.752 57.033 55.300 -0.032 0.000 1.093 257 M CB -0.232 32.344 32.600 -0.041 0.000 1.401 257 M HN -0.060 nan 8.290 nan 0.000 0.440 258 S N -0.409 115.275 115.700 -0.027 0.000 2.577 258 S HA 0.201 4.671 4.470 0.000 0.000 0.219 258 S C -0.008 174.584 174.600 -0.014 0.000 0.962 258 S CA -0.154 58.036 58.200 -0.015 0.000 0.921 258 S CB -0.903 62.287 63.200 -0.017 0.000 0.789 258 S HN 0.744 nan 8.310 nan 0.000 0.497 259 N N 1.153 119.842 118.700 -0.018 0.000 2.727 259 N HA -0.121 4.619 4.740 0.000 0.000 0.251 259 N C 0.644 176.139 175.510 -0.024 0.000 1.040 259 N CA 0.476 53.517 53.050 -0.015 0.000 0.712 259 N CB -1.479 37.007 38.487 -0.003 0.000 0.912 259 N HN 0.833 nan 8.380 nan 0.000 0.545 260 G N -2.139 106.637 108.800 -0.041 0.000 2.229 260 G HA2 0.336 4.296 3.960 0.000 0.000 0.189 260 G HA3 0.336 4.296 3.960 0.000 0.000 0.189 260 G C 0.385 175.228 174.900 -0.096 0.000 1.000 260 G CA 0.042 45.104 45.100 -0.063 0.000 0.663 260 G HN 1.478 nan 8.290 nan 0.000 0.493 261 G N -1.716 107.033 108.800 -0.085 0.000 2.379 261 G HA2 0.532 4.492 3.960 0.000 0.000 0.609 261 G HA3 0.532 4.492 3.960 0.000 0.000 0.609 261 G C -0.158 174.689 174.900 -0.089 0.000 1.484 261 G CA 0.216 45.249 45.100 -0.111 0.000 0.921 261 G HN 1.833 nan 8.290 nan 0.000 0.658 262 V N -1.041 118.830 119.914 -0.071 0.000 3.170 262 V HA 0.635 4.755 4.120 0.000 0.000 0.309 262 V C 1.014 177.052 176.094 -0.093 0.000 1.071 262 V CA 0.437 62.716 62.300 -0.034 0.000 1.063 262 V CB 1.580 33.416 31.823 0.020 0.000 1.123 262 V HN 0.723 nan 8.190 nan 0.000 0.464 263 D N 0.112 120.465 120.400 -0.079 0.000 2.162 263 D HA 0.114 4.754 4.640 0.000 0.000 0.203 263 D C -0.248 175.611 176.300 -0.735 0.000 0.967 263 D CA 1.754 55.550 54.000 -0.340 0.000 0.840 263 D CB 0.206 40.778 40.800 -0.380 0.000 0.972 263 D HN 0.532 nan 8.370 nan 0.000 0.482 264 F N 0.156 120.098 119.950 -0.012 0.000 2.574 264 F HA 0.218 4.745 4.527 -0.000 0.000 0.313 264 F C -0.009 175.677 175.800 -0.191 0.000 1.130 264 F CA -1.029 56.883 58.000 -0.147 0.000 0.936 264 F CB 2.090 41.023 39.000 -0.112 0.000 1.219 264 F HN -0.319 nan 8.300 nan 0.000 0.445 265 S N 1.822 117.415 115.700 -0.178 0.000 2.566 265 S HA 0.887 5.357 4.470 0.000 0.000 0.298 265 S C -1.420 172.974 174.600 -0.343 0.000 1.083 265 S CA -0.623 57.541 58.200 -0.060 0.000 0.978 265 S CB 1.756 64.998 63.200 0.069 0.000 1.073 265 S HN 0.348 nan 8.310 nan 0.000 0.491 266 F N 0.705 120.791 119.950 0.227 0.000 2.557 266 F HA 0.470 4.997 4.527 0.000 0.000 0.316 266 F C 0.059 175.976 175.800 0.196 0.000 1.141 266 F CA -0.575 57.530 58.000 0.174 0.000 0.922 266 F CB 2.055 41.141 39.000 0.144 0.000 1.194 266 F HN 0.638 nan 8.300 nan 0.000 0.443 267 E N 3.248 123.600 120.200 0.254 0.000 2.109 267 E HA 0.431 4.782 4.350 0.000 0.000 0.278 267 E C -0.950 175.772 176.600 0.204 0.000 0.954 267 E CA -0.186 56.317 56.400 0.172 0.000 0.779 267 E CB 1.587 31.316 29.700 0.048 0.000 1.093 267 E HN 0.497 nan 8.360 nan 0.000 0.401 268 V N 6.444 126.499 119.914 0.234 0.000 2.727 268 V HA 0.256 4.376 4.120 0.000 0.000 0.336 268 V C 0.732 176.927 176.094 0.169 0.000 1.228 268 V CA -0.094 62.316 62.300 0.182 0.000 1.270 268 V CB -0.472 31.446 31.823 0.159 0.000 1.486 268 V HN 0.617 nan 8.190 nan 0.000 0.638 269 I N 0.441 121.109 120.570 0.163 0.000 3.669 269 I HA 0.605 4.775 4.170 0.000 0.000 0.255 269 I C 1.580 177.787 176.117 0.150 0.000 1.144 269 I CA 0.715 62.109 61.300 0.158 0.000 1.447 269 I CB 0.721 38.817 38.000 0.161 0.000 1.622 269 I HN 0.431 nan 8.210 nan 0.000 0.435 270 G N 2.089 110.954 108.800 0.109 0.000 2.188 270 G HA2 -0.086 3.874 3.960 0.000 0.000 0.112 270 G HA3 -0.086 3.874 3.960 0.000 0.000 0.112 270 G C -0.237 174.683 174.900 0.032 0.000 1.048 270 G CA -0.708 44.432 45.100 0.067 0.000 0.720 270 G HN 0.158 nan 8.290 nan 0.000 0.487 271 R N -0.151 120.374 120.500 0.042 0.000 2.494 271 R HA 0.627 4.967 4.340 0.000 0.000 0.305 271 R C 1.662 177.974 176.300 0.021 0.000 0.959 271 R CA -0.912 55.206 56.100 0.030 0.000 0.864 271 R CB 1.323 31.651 30.300 0.048 0.000 1.159 271 R HN 0.100 nan 8.270 nan 0.000 0.446 272 L N 2.062 123.294 121.223 0.014 0.000 2.013 272 L HA -0.298 4.042 4.340 0.000 0.000 0.212 272 L C 2.089 178.975 176.870 0.026 0.000 1.073 272 L CA 1.716 56.569 54.840 0.023 0.000 0.753 272 L CB -0.433 41.636 42.059 0.017 0.000 0.890 272 L HN 0.798 nan 8.230 nan 0.000 0.432 273 D N -0.436 119.974 120.400 0.017 0.000 2.144 273 D HA -0.196 4.444 4.640 0.000 0.000 0.199 273 D C 1.824 178.109 176.300 -0.026 0.000 0.984 273 D CA 2.055 56.058 54.000 0.005 0.000 0.834 273 D CB -0.573 40.236 40.800 0.015 0.000 0.955 273 D HN 0.423 nan 8.370 nan 0.000 0.465 274 T N -1.394 113.143 114.554 -0.029 0.000 2.915 274 T HA -0.030 4.320 4.350 0.000 0.000 0.269 274 T C 2.281 176.857 174.700 -0.206 0.000 1.071 274 T CA 0.650 62.675 62.100 -0.124 0.000 1.132 274 T CB -0.315 68.532 68.868 -0.035 0.000 0.878 274 T HN 0.082 nan 8.240 nan 0.000 0.479 275 M N 0.805 120.372 119.600 -0.056 0.000 2.077 275 M HA -0.054 4.426 4.480 0.000 0.000 0.261 275 M C 2.503 178.821 176.300 0.031 0.000 1.070 275 M CA 1.378 56.708 55.300 0.050 0.000 1.125 275 M CB -0.561 32.123 32.600 0.141 0.000 1.339 275 M HN 0.144 nan 8.290 nan 0.000 0.409 276 V N 0.018 119.932 119.914 0.000 0.000 2.255 276 V HA -0.296 3.824 4.120 0.000 0.000 0.247 276 V C 2.313 178.269 176.094 -0.230 0.000 1.051 276 V CA 2.427 64.654 62.300 -0.123 0.000 1.018 276 V CB -1.258 30.528 31.823 -0.062 0.000 0.641 276 V HN 0.519 nan 8.190 nan 0.000 0.445 277 T N 0.307 114.738 114.554 -0.204 0.000 2.720 277 T HA -0.191 4.160 4.350 0.000 0.000 0.268 277 T C 2.032 176.524 174.700 -0.347 0.000 1.037 277 T CA 1.729 63.695 62.100 -0.224 0.000 1.144 277 T CB -0.464 68.291 68.868 -0.189 0.000 0.864 277 T HN 0.591 nan 8.240 nan 0.000 0.444 278 A N 1.055 123.538 122.820 -0.562 0.000 1.933 278 A HA 0.055 4.375 4.320 0.000 0.000 0.218 278 A C 2.301 179.697 177.584 -0.313 0.000 1.175 278 A CA 1.003 52.685 52.037 -0.591 0.000 0.628 278 A CB -0.815 17.771 19.000 -0.690 0.000 0.814 278 A HN 0.474 nan 8.150 nan 0.000 0.444 279 L N -0.151 120.849 121.223 -0.373 0.000 2.017 279 L HA -0.174 4.167 4.340 0.000 0.000 0.208 279 L C 2.650 179.285 176.870 -0.391 0.000 1.073 279 L CA 2.034 56.559 54.840 -0.524 0.000 0.745 279 L CB -0.378 41.092 42.059 -0.982 0.000 0.894 279 L HN 0.408 nan 8.230 nan 0.000 0.432 280 S N -0.409 115.094 115.700 -0.329 0.000 2.370 280 S HA -0.241 4.229 4.470 0.000 0.000 0.226 280 S C 1.985 176.483 174.600 -0.171 0.000 1.033 280 S CA 1.397 59.455 58.200 -0.237 0.000 1.011 280 S CB -0.827 62.263 63.200 -0.183 0.000 0.852 280 S HN 0.805 nan 8.310 nan 0.000 0.457 281 C N 2.282 121.508 119.300 -0.122 0.000 2.491 281 C HA 0.246 4.706 4.460 0.000 0.000 0.277 281 C C 1.526 176.466 174.990 -0.083 0.000 1.455 281 C CA -1.222 57.763 59.018 -0.055 0.000 1.758 281 C CB -2.516 25.267 27.740 0.072 0.000 1.745 281 C HN 0.678 nan 8.230 nan 0.000 0.558 282 C N 1.023 120.238 119.300 -0.142 0.000 2.463 282 C HA 0.414 4.874 4.460 0.000 0.000 0.380 282 C C 0.599 175.451 174.990 -0.230 0.000 1.264 282 C CA -0.689 58.226 59.018 -0.172 0.000 2.161 282 C CB 0.093 27.718 27.740 -0.192 0.000 2.515 282 C HN 0.660 nan 8.230 nan 0.000 0.565 283 Q N 2.349 121.976 119.800 -0.288 0.000 2.308 283 Q HA -0.064 4.276 4.340 0.000 0.000 0.313 283 Q C 1.544 177.284 176.000 -0.433 0.000 1.075 283 Q CA 1.168 56.721 55.803 -0.416 0.000 0.995 283 Q CB 0.558 28.894 28.738 -0.671 0.000 1.107 283 Q HN 1.053 nan 8.270 nan 0.000 0.380 284 E N 3.386 123.386 120.200 -0.334 0.000 2.219 284 E HA -0.236 4.114 4.350 0.000 0.000 0.198 284 E C 0.962 177.412 176.600 -0.249 0.000 0.998 284 E CA 1.461 57.705 56.400 -0.259 0.000 0.818 284 E CB -0.018 29.566 29.700 -0.194 0.000 0.741 284 E HN 0.592 nan 8.360 nan 0.000 0.477 285 A N 0.636 123.256 122.820 -0.334 0.000 1.956 285 A HA 0.019 4.340 4.320 0.000 0.000 0.212 285 A C 1.185 178.694 177.584 -0.125 0.000 1.188 285 A CA 0.830 52.745 52.037 -0.203 0.000 0.675 285 A CB -0.200 18.736 19.000 -0.106 0.000 0.845 285 A HN 0.558 nan 8.150 nan 0.000 0.455 286 Y N -2.468 117.768 120.300 -0.108 0.000 2.779 286 Y HA 0.572 5.122 4.550 0.000 0.000 0.251 286 Y C 0.507 176.291 175.900 -0.193 0.000 1.145 286 Y CA -1.315 56.710 58.100 -0.126 0.000 1.201 286 Y CB -0.794 37.599 38.460 -0.111 0.000 1.281 286 Y HN 0.112 nan 8.280 nan 0.000 0.563 287 G N 0.913 109.551 108.800 -0.271 0.000 2.539 287 G HA2 0.503 4.463 3.960 0.000 0.000 0.258 287 G HA3 0.503 4.463 3.960 0.000 0.000 0.258 287 G C -1.133 173.645 174.900 -0.204 0.000 1.202 287 G CA -0.415 44.526 45.100 -0.265 0.000 0.851 287 G HN 0.114 nan 8.290 nan 0.000 0.556 288 V N 0.259 120.022 119.914 -0.252 0.000 2.540 288 V HA 0.621 4.741 4.120 0.000 0.000 0.302 288 V C -0.038 175.989 176.094 -0.111 0.000 1.035 288 V CA -0.685 61.547 62.300 -0.113 0.000 0.873 288 V CB 1.881 33.711 31.823 0.010 0.000 0.992 288 V HN 0.774 nan 8.190 nan 0.000 0.428 289 S N 3.394 119.062 115.700 -0.054 0.000 2.502 289 S HA 0.783 5.253 4.470 0.000 0.000 0.304 289 S C -1.051 173.594 174.600 0.075 0.000 1.097 289 S CA -0.439 57.731 58.200 -0.051 0.000 1.045 289 S CB 1.568 64.716 63.200 -0.087 0.000 1.019 289 S HN 0.474 nan 8.310 nan 0.000 0.481 290 V N 6.293 126.171 119.914 -0.060 0.000 2.409 290 V HA 0.488 4.608 4.120 0.000 0.000 0.291 290 V C -0.245 175.911 176.094 0.103 0.000 1.020 290 V CA -0.680 61.639 62.300 0.032 0.000 0.848 290 V CB 1.507 33.348 31.823 0.030 0.000 0.990 290 V HN 0.832 nan 8.190 nan 0.000 0.430 291 I N 4.828 125.432 120.570 0.058 0.000 2.352 291 I HA 0.205 4.375 4.170 0.000 0.000 0.290 291 I C 0.764 176.911 176.117 0.050 0.000 1.036 291 I CA 0.141 61.467 61.300 0.043 0.000 1.336 291 I CB 1.468 39.423 38.000 -0.075 0.000 1.407 291 I HN 0.411 nan 8.210 nan 0.000 0.497 292 V N 5.267 125.240 119.914 0.099 0.000 3.151 292 V HA 0.156 4.276 4.120 0.000 0.000 0.241 292 V C 1.317 177.460 176.094 0.082 0.000 1.173 292 V CA 0.297 62.655 62.300 0.096 0.000 1.154 292 V CB 0.228 32.129 31.823 0.129 0.000 0.898 292 V HN 0.861 nan 8.190 nan 0.000 0.473 293 G N 0.720 109.575 108.800 0.090 0.000 2.491 293 G HA2 0.356 4.316 3.960 0.000 0.000 0.238 293 G HA3 0.356 4.316 3.960 0.000 0.000 0.238 293 G C -0.494 174.434 174.900 0.048 0.000 1.277 293 G CA 0.058 45.214 45.100 0.093 0.000 0.851 293 G HN 0.096 nan 8.290 nan 0.000 0.573 294 V N 5.153 125.103 119.914 0.060 0.000 2.432 294 V HA 0.319 4.439 4.120 0.000 0.000 0.275 294 V C -1.487 174.540 176.094 -0.111 0.000 1.043 294 V CA -1.126 61.160 62.300 -0.023 0.000 0.925 294 V CB 1.525 33.351 31.823 0.004 0.000 0.985 294 V HN 0.696 nan 8.190 nan 0.000 0.466 295 P HA 0.409 nan 4.420 nan 0.000 0.281 295 P C -2.876 174.343 177.300 -0.134 0.000 1.264 295 P CA -2.477 60.562 63.100 -0.101 0.000 0.824 295 P CB 0.321 31.979 31.700 -0.070 0.000 1.092 296 P HA 0.012 nan 4.420 nan 0.000 0.261 296 P C -0.220 177.038 177.300 -0.070 0.000 1.183 296 P CA 0.510 63.554 63.100 -0.094 0.000 0.761 296 P CB -0.199 31.469 31.700 -0.054 0.000 0.785 297 D N 2.715 123.077 120.400 -0.063 0.000 2.648 297 D HA -0.072 4.568 4.640 0.000 0.000 0.229 297 D C 0.230 176.512 176.300 -0.030 0.000 1.119 297 D CA 1.259 55.235 54.000 -0.041 0.000 0.850 297 D CB -0.003 40.781 40.800 -0.026 0.000 1.169 297 D HN 0.299 nan 8.370 nan 0.000 0.489 298 S N 0.448 116.132 115.700 -0.027 0.000 3.143 298 S HA -0.278 4.192 4.470 0.000 0.000 0.291 298 S C -0.026 174.561 174.600 -0.022 0.000 1.294 298 S CA 0.821 59.008 58.200 -0.022 0.000 1.115 298 S CB -1.222 61.969 63.200 -0.015 0.000 1.318 298 S HN 0.740 nan 8.310 nan 0.000 0.685 299 Q N 0.913 120.698 119.800 -0.026 0.000 2.267 299 Q HA 0.386 4.727 4.340 0.000 0.000 0.255 299 Q C 0.177 176.163 176.000 -0.023 0.000 0.923 299 Q CA -0.087 55.704 55.803 -0.021 0.000 0.925 299 Q CB 0.692 29.418 28.738 -0.020 0.000 1.195 299 Q HN 0.475 nan 8.270 nan 0.000 0.417 300 N N 1.425 120.116 118.700 -0.014 0.000 2.472 300 N HA 0.433 5.173 4.740 0.000 0.000 0.289 300 N C -0.885 174.626 175.510 0.001 0.000 1.156 300 N CA -0.609 52.433 53.050 -0.012 0.000 0.940 300 N CB 0.917 39.400 38.487 -0.008 0.000 1.200 300 N HN 0.286 nan 8.380 nan 0.000 0.511 301 L N -1.549 119.680 121.223 0.011 0.000 2.335 301 L HA 0.749 5.089 4.340 0.000 0.000 0.268 301 L C -0.113 176.787 176.870 0.049 0.000 1.016 301 L CA -0.566 54.298 54.840 0.039 0.000 0.805 301 L CB 1.219 43.324 42.059 0.076 0.000 1.311 301 L HN 0.234 nan 8.230 nan 0.000 0.456 302 S N 0.873 116.605 115.700 0.053 0.000 2.557 302 S HA 0.911 5.382 4.470 0.000 0.000 0.291 302 S C -0.763 173.864 174.600 0.044 0.000 1.116 302 S CA -0.551 57.674 58.200 0.042 0.000 0.992 302 S CB 1.285 64.498 63.200 0.020 0.000 1.028 302 S HN 0.797 nan 8.310 nan 0.000 0.484 303 M N 2.169 121.794 119.600 0.043 0.000 2.603 303 M HA 0.583 5.063 4.480 0.000 0.000 0.275 303 M C -1.334 174.961 176.300 -0.009 0.000 1.226 303 M CA -0.759 54.543 55.300 0.004 0.000 0.870 303 M CB 0.903 33.512 32.600 0.016 0.000 1.716 303 M HN 0.311 nan 8.290 nan 0.000 0.482 304 N N 1.675 120.347 118.700 -0.047 0.000 2.422 304 N HA 0.445 5.186 4.740 0.000 0.000 0.264 304 N C -2.044 173.436 175.510 -0.050 0.000 1.063 304 N CA -1.760 51.264 53.050 -0.043 0.000 0.959 304 N CB 1.357 39.809 38.487 -0.058 0.000 1.087 304 N HN 0.516 nan 8.380 nan 0.000 0.483 305 P HA -0.100 nan 4.420 nan 0.000 0.223 305 P C 1.451 178.728 177.300 -0.037 0.000 1.144 305 P CA 0.955 64.046 63.100 -0.015 0.000 0.783 305 P CB 0.245 31.947 31.700 0.003 0.000 0.771 306 M N -1.406 118.164 119.600 -0.050 0.000 2.374 306 M HA -0.034 4.446 4.480 0.000 0.000 0.264 306 M C 1.967 178.217 176.300 -0.084 0.000 1.067 306 M CA 1.069 56.335 55.300 -0.058 0.000 1.103 306 M CB -1.259 31.308 32.600 -0.054 0.000 1.402 306 M HN 0.049 nan 8.290 nan 0.000 0.444 307 L N -0.626 120.528 121.223 -0.114 0.000 2.201 307 L HA -0.191 4.149 4.340 0.000 0.000 0.212 307 L C 2.162 178.939 176.870 -0.155 0.000 1.105 307 L CA 0.812 55.553 54.840 -0.165 0.000 0.775 307 L CB -0.405 41.508 42.059 -0.244 0.000 0.913 307 L HN 0.284 nan 8.230 nan 0.000 0.440 308 L N -1.565 119.593 121.223 -0.108 0.000 2.145 308 L HA -0.123 4.217 4.340 0.000 0.000 0.201 308 L C 2.376 179.218 176.870 -0.047 0.000 1.075 308 L CA 0.262 55.063 54.840 -0.065 0.000 0.773 308 L CB -0.379 41.679 42.059 -0.001 0.000 0.936 308 L HN 0.118 nan 8.230 nan 0.000 0.451 309 L N 0.452 121.651 121.223 -0.041 0.000 2.081 309 L HA -0.252 4.088 4.340 0.000 0.000 0.212 309 L C 2.679 179.525 176.870 -0.041 0.000 1.080 309 L CA 2.072 56.893 54.840 -0.032 0.000 0.754 309 L CB -0.405 41.636 42.059 -0.029 0.000 0.893 309 L HN 0.371 nan 8.230 nan 0.000 0.433 310 S N -1.881 113.783 115.700 -0.060 0.000 2.555 310 S HA 0.236 4.706 4.470 0.000 0.000 0.230 310 S C 1.477 176.039 174.600 -0.062 0.000 0.978 310 S CA 0.463 58.626 58.200 -0.063 0.000 0.934 310 S CB 0.095 63.244 63.200 -0.084 0.000 0.766 310 S HN 0.651 nan 8.310 nan 0.000 0.533 311 G N 0.718 109.483 108.800 -0.058 0.000 2.551 311 G HA2 -0.134 3.826 3.960 0.000 0.000 0.186 311 G HA3 -0.134 3.826 3.960 0.000 0.000 0.186 311 G C 0.156 175.020 174.900 -0.059 0.000 1.002 311 G CA -0.670 44.402 45.100 -0.047 0.000 0.723 311 G HN 0.446 nan 8.290 nan 0.000 0.481 312 R N 0.741 121.182 120.500 -0.099 0.000 2.811 312 R HA 0.451 4.791 4.340 0.000 0.000 0.265 312 R C -0.425 175.845 176.300 -0.049 0.000 1.026 312 R CA 1.025 57.057 56.100 -0.113 0.000 1.142 312 R CB 0.223 30.417 30.300 -0.177 0.000 1.027 312 R HN 0.146 nan 8.270 nan 0.000 0.465 313 T N 1.587 116.123 114.554 -0.030 0.000 2.809 313 T HA 0.215 4.565 4.350 0.000 0.000 0.284 313 T C -1.392 173.379 174.700 0.119 0.000 0.992 313 T CA -0.506 61.620 62.100 0.044 0.000 0.957 313 T CB 0.778 69.667 68.868 0.035 0.000 0.942 313 T HN 0.377 nan 8.240 nan 0.000 0.439 314 W N 5.817 127.082 121.300 -0.058 0.000 2.587 314 W HA 0.631 5.291 4.660 -0.000 0.000 0.324 314 W C -0.500 175.986 176.519 -0.054 0.000 1.040 314 W CA -1.562 55.744 57.345 -0.066 0.000 1.222 314 W CB 0.935 30.355 29.460 -0.065 0.000 1.381 314 W HN 0.670 nan 8.180 nan 0.000 0.483 315 K N 3.676 124.142 120.400 0.110 0.000 2.548 315 K HA 0.909 5.229 4.320 0.000 0.000 0.282 315 K C -0.696 175.841 176.600 -0.106 0.000 1.006 315 K CA -1.033 55.219 56.287 -0.058 0.000 0.892 315 K CB 1.705 34.199 32.500 -0.011 0.000 1.499 315 K HN 0.533 nan 8.250 nan 0.000 0.433 316 G N -0.629 108.095 108.800 -0.127 0.000 2.766 316 G HA2 0.814 4.774 3.960 0.000 0.000 0.288 316 G HA3 0.814 4.774 3.960 0.000 0.000 0.288 316 G C -1.765 173.081 174.900 -0.090 0.000 1.408 316 G CA -0.594 44.440 45.100 -0.109 0.000 0.852 316 G HN 0.817 nan 8.290 nan 0.000 0.487 317 A N -0.504 122.273 122.820 -0.071 0.000 2.605 317 A HA 0.621 4.941 4.320 0.000 0.000 0.294 317 A C -1.508 176.062 177.584 -0.023 0.000 1.062 317 A CA -0.536 51.462 52.037 -0.065 0.000 0.682 317 A CB 1.237 20.209 19.000 -0.046 0.000 1.278 317 A HN 0.659 nan 8.150 nan 0.000 0.410 318 I N 1.717 122.278 120.570 -0.015 0.000 2.353 318 I HA 0.397 4.568 4.170 0.000 0.000 0.293 318 I C 0.571 176.855 176.117 0.277 0.000 0.992 318 I CA -0.043 61.322 61.300 0.109 0.000 1.268 318 I CB 0.526 38.559 38.000 0.054 0.000 1.387 318 I HN 0.938 nan 8.210 nan 0.000 0.478 319 F N 5.868 125.936 119.950 0.196 0.000 3.091 319 F HA -0.243 4.284 4.527 0.000 0.000 0.288 319 F C 1.250 177.141 175.800 0.153 0.000 0.907 319 F CA 0.908 59.025 58.000 0.195 0.000 1.028 319 F CB -1.235 37.777 39.000 0.019 0.000 1.022 319 F HN 0.892 nan 8.300 nan 0.000 0.665 320 G N 0.022 108.798 108.800 -0.040 0.000 2.203 320 G HA2 0.089 4.049 3.960 0.000 0.000 0.263 320 G HA3 0.089 4.049 3.960 0.000 0.000 0.263 320 G C 2.273 176.904 174.900 -0.447 0.000 1.012 320 G CA 1.179 46.131 45.100 -0.248 0.000 0.749 320 G HN 2.341 nan 8.290 nan 0.000 0.512 321 G N -1.951 106.714 108.800 -0.225 0.000 2.220 321 G HA2 -0.249 3.711 3.960 0.000 0.000 0.269 321 G HA3 -0.249 3.711 3.960 0.000 0.000 0.269 321 G C 0.454 175.247 174.900 -0.179 0.000 0.977 321 G CA 0.593 45.570 45.100 -0.205 0.000 0.634 321 G HN 1.239 nan 8.290 nan 0.000 0.539 322 F N 1.701 121.620 119.950 -0.053 0.000 2.538 322 F HA 0.371 4.898 4.527 0.000 0.000 0.371 322 F C 1.344 177.234 175.800 0.150 0.000 1.087 322 F CA -0.092 57.907 58.000 -0.002 0.000 1.250 322 F CB 0.632 39.517 39.000 -0.190 0.000 1.110 322 F HN -0.065 nan 8.300 nan 0.000 0.570 323 K N 2.516 123.115 120.400 0.331 0.000 2.402 323 K HA 0.042 4.362 4.320 0.000 0.000 0.285 323 K C 1.233 177.979 176.600 0.244 0.000 1.054 323 K CA 0.165 56.584 56.287 0.220 0.000 1.001 323 K CB 0.640 33.233 32.500 0.155 0.000 0.946 323 K HN 0.827 nan 8.250 nan 0.000 0.473 324 S N 3.692 119.512 115.700 0.200 0.000 2.359 324 S HA -0.276 4.194 4.470 0.000 0.000 0.222 324 S C 1.888 176.538 174.600 0.083 0.000 1.038 324 S CA 1.187 59.476 58.200 0.148 0.000 1.051 324 S CB -0.150 62.980 63.200 -0.118 0.000 0.944 324 S HN 0.652 nan 8.310 nan 0.000 0.433 325 K N 1.025 121.444 120.400 0.032 0.000 2.057 325 K HA -0.127 4.193 4.320 0.000 0.000 0.207 325 K C 1.636 178.259 176.600 0.038 0.000 1.049 325 K CA 1.716 58.015 56.287 0.019 0.000 0.931 325 K CB -0.231 32.270 32.500 0.003 0.000 0.714 325 K HN 0.407 nan 8.250 nan 0.000 0.440 326 D N -0.435 120.001 120.400 0.059 0.000 2.149 326 D HA -0.064 4.576 4.640 0.000 0.000 0.201 326 D C 1.822 178.157 176.300 0.058 0.000 0.972 326 D CA 1.093 55.128 54.000 0.059 0.000 0.835 326 D CB 0.011 40.857 40.800 0.076 0.000 0.966 326 D HN 0.130 nan 8.370 nan 0.000 0.476 327 S N 0.210 115.953 115.700 0.073 0.000 2.425 327 S HA -0.022 4.448 4.470 0.000 0.000 0.225 327 S C 2.359 176.915 174.600 -0.073 0.000 1.024 327 S CA 0.047 58.234 58.200 -0.022 0.000 0.951 327 S CB -0.038 63.082 63.200 -0.133 0.000 0.796 327 S HN 0.042 nan 8.310 nan 0.000 0.498 328 V N 3.331 123.257 119.914 0.019 0.000 2.282 328 V HA -0.148 3.972 4.120 0.000 0.000 0.249 328 V C -0.654 175.450 176.094 0.017 0.000 1.057 328 V CA 2.000 64.320 62.300 0.033 0.000 1.032 328 V CB -1.681 30.184 31.823 0.070 0.000 0.645 328 V HN 0.355 nan 8.190 nan 0.000 0.447 329 P HA -0.117 nan 4.420 nan 0.000 0.217 329 P C 1.493 178.806 177.300 0.022 0.000 1.150 329 P CA 1.381 64.492 63.100 0.019 0.000 0.832 329 P CB -0.041 31.669 31.700 0.016 0.000 0.787 330 K N -0.494 119.916 120.400 0.017 0.000 2.057 330 K HA -0.027 4.293 4.320 0.000 0.000 0.206 330 K C 2.130 178.759 176.600 0.049 0.000 1.050 330 K CA 0.991 57.295 56.287 0.029 0.000 0.935 330 K CB -0.748 31.773 32.500 0.034 0.000 0.715 330 K HN 0.101 nan 8.250 nan 0.000 0.439 331 L N 0.487 121.724 121.223 0.024 0.000 2.083 331 L HA -0.192 4.148 4.340 0.000 0.000 0.209 331 L C 2.247 179.243 176.870 0.208 0.000 1.083 331 L CA 0.840 55.760 54.840 0.133 0.000 0.752 331 L CB -0.421 41.632 42.059 -0.010 0.000 0.899 331 L HN 0.003 nan 8.230 nan 0.000 0.433 332 V N -0.019 119.957 119.914 0.104 0.000 2.295 332 V HA -0.312 3.808 4.120 0.000 0.000 0.246 332 V C 2.771 178.904 176.094 0.066 0.000 1.049 332 V CA 1.794 64.148 62.300 0.091 0.000 1.024 332 V CB -0.928 30.925 31.823 0.050 0.000 0.648 332 V HN 0.492 nan 8.190 nan 0.000 0.447 333 A N 0.188 123.029 122.820 0.035 0.000 1.873 333 A HA -0.307 4.013 4.320 0.000 0.000 0.218 333 A C 1.983 179.537 177.584 -0.050 0.000 1.193 333 A CA 2.268 54.302 52.037 -0.004 0.000 0.629 333 A CB -0.790 18.213 19.000 0.006 0.000 0.826 333 A HN 0.564 nan 8.150 nan 0.000 0.447 334 D N -1.338 119.046 120.400 -0.028 0.000 2.221 334 D HA -0.134 4.506 4.640 0.000 0.000 0.204 334 D C 1.539 177.597 176.300 -0.404 0.000 0.982 334 D CA 1.238 55.176 54.000 -0.104 0.000 0.857 334 D CB -0.386 40.467 40.800 0.088 0.000 0.934 334 D HN 0.539 nan 8.370 nan 0.000 0.475 335 F N 1.071 120.624 119.950 -0.663 0.000 2.206 335 F HA -0.112 4.415 4.527 0.000 0.000 0.298 335 F C 2.073 177.585 175.800 -0.480 0.000 1.090 335 F CA 0.825 58.240 58.000 -0.975 0.000 1.323 335 F CB -0.062 38.477 39.000 -0.767 0.000 1.028 335 F HN -0.221 nan 8.300 nan 0.000 0.492 336 M N 0.687 120.099 119.600 -0.313 0.000 2.117 336 M HA -0.070 4.410 4.480 0.000 0.000 0.262 336 M C 2.218 178.309 176.300 -0.348 0.000 1.065 336 M CA 1.521 56.638 55.300 -0.305 0.000 1.114 336 M CB -2.039 30.490 32.600 -0.117 0.000 1.361 336 M HN 0.277 nan 8.290 nan 0.000 0.408 337 A N -0.310 122.341 122.820 -0.281 0.000 2.291 337 A HA 0.042 4.362 4.320 0.000 0.000 0.220 337 A C 0.808 178.226 177.584 -0.278 0.000 1.262 337 A CA 0.120 52.020 52.037 -0.228 0.000 0.867 337 A CB -0.607 18.309 19.000 -0.140 0.000 0.888 337 A HN 0.554 nan 8.150 nan 0.000 0.487 338 K N -1.259 118.877 120.400 -0.440 0.000 3.160 338 K HA -0.181 4.139 4.320 0.000 0.000 0.280 338 K C 0.479 176.910 176.600 -0.281 0.000 1.154 338 K CA 0.873 56.912 56.287 -0.413 0.000 0.822 338 K CB -0.946 31.385 32.500 -0.280 0.000 1.239 338 K HN 0.398 nan 8.250 nan 0.000 0.489 339 K N 0.013 120.235 120.400 -0.297 0.000 2.155 339 K HA -0.021 4.299 4.320 0.000 0.000 0.203 339 K C 1.016 177.648 176.600 0.053 0.000 1.052 339 K CA 1.364 57.602 56.287 -0.082 0.000 0.948 339 K CB -0.106 32.404 32.500 0.016 0.000 0.728 339 K HN 0.418 nan 8.250 nan 0.000 0.448 340 F N -2.304 117.624 119.950 -0.037 0.000 2.662 340 F HA 0.697 5.224 4.527 0.000 0.000 0.312 340 F C -1.155 174.637 175.800 -0.012 0.000 1.113 340 F CA -2.058 55.927 58.000 -0.026 0.000 0.951 340 F CB 0.874 39.798 39.000 -0.126 0.000 1.344 340 F HN -0.202 nan 8.300 nan 0.000 0.462 341 A N 1.634 124.636 122.820 0.303 0.000 2.340 341 A HA 0.800 5.120 4.320 0.000 0.000 0.331 341 A C -0.451 177.261 177.584 0.212 0.000 1.140 341 A CA -0.721 51.461 52.037 0.242 0.000 0.801 341 A CB 1.294 20.387 19.000 0.155 0.000 1.234 341 A HN 1.008 nan 8.150 nan 0.000 0.469 342 L N -0.006 121.326 121.223 0.183 0.000 2.609 342 L HA 0.090 4.430 4.340 0.000 0.000 0.230 342 L C 1.089 177.990 176.870 0.050 0.000 1.064 342 L CA 0.131 54.972 54.840 0.002 0.000 0.873 342 L CB -0.119 41.773 42.059 -0.278 0.000 1.139 342 L HN 0.685 nan 8.230 nan 0.000 0.490 343 D N 1.232 121.685 120.400 0.088 0.000 2.149 343 D HA -0.173 4.467 4.640 0.000 0.000 0.194 343 D C -0.719 175.616 176.300 0.058 0.000 1.001 343 D CA 1.527 55.566 54.000 0.065 0.000 0.849 343 D CB -1.276 39.564 40.800 0.067 0.000 0.939 343 D HN 0.246 nan 8.370 nan 0.000 0.449 344 P HA -0.061 nan 4.420 nan 0.000 0.221 344 P C 1.303 178.647 177.300 0.074 0.000 1.145 344 P CA 0.784 63.928 63.100 0.073 0.000 0.795 344 P CB -0.051 31.703 31.700 0.091 0.000 0.775 345 L N -1.946 119.326 121.223 0.081 0.000 2.592 345 L HA 0.157 4.497 4.340 0.000 0.000 0.227 345 L C 0.882 177.788 176.870 0.061 0.000 1.127 345 L CA 0.015 54.904 54.840 0.081 0.000 0.884 345 L CB -0.287 41.832 42.059 0.099 0.000 1.065 345 L HN -0.096 nan 8.230 nan 0.000 0.457 346 I N 0.588 121.185 120.570 0.046 0.000 2.307 346 I HA 0.080 4.250 4.170 0.000 0.000 0.289 346 I C 1.150 177.277 176.117 0.017 0.000 1.021 346 I CA -0.037 61.284 61.300 0.035 0.000 1.224 346 I CB 1.482 39.495 38.000 0.021 0.000 1.376 346 I HN 0.051 nan 8.210 nan 0.000 0.470 347 T N 0.258 114.833 114.554 0.035 0.000 2.969 347 T HA 0.234 4.584 4.350 0.000 0.000 0.250 347 T C 0.354 174.873 174.700 -0.302 0.000 1.021 347 T CA 0.201 62.259 62.100 -0.069 0.000 1.003 347 T CB 0.045 68.948 68.868 0.058 0.000 1.040 347 T HN 0.487 nan 8.240 nan 0.000 0.492 348 H N -0.378 118.684 119.070 -0.014 0.000 2.930 348 H HA 0.756 5.312 4.556 0.000 0.000 0.371 348 H C -1.438 173.875 175.328 -0.024 0.000 1.169 348 H CA -0.752 55.284 56.048 -0.021 0.000 1.157 348 H CB 2.243 31.987 29.762 -0.031 0.000 1.789 348 H HN 0.039 nan 8.280 nan 0.000 0.547 349 V N 3.861 123.828 119.914 0.089 0.000 2.656 349 V HA 0.552 4.672 4.120 0.000 0.000 0.307 349 V C -0.699 175.412 176.094 0.028 0.000 1.051 349 V CA -0.621 61.702 62.300 0.039 0.000 0.893 349 V CB 1.829 33.661 31.823 0.016 0.000 0.999 349 V HN 0.520 nan 8.190 nan 0.000 0.426 350 L N 4.870 126.093 121.223 -0.001 0.000 2.540 350 L HA 0.585 4.925 4.340 0.000 0.000 0.256 350 L C -2.785 174.055 176.870 -0.051 0.000 1.001 350 L CA -1.785 53.041 54.840 -0.025 0.000 0.843 350 L CB 3.481 45.514 42.059 -0.042 0.000 1.436 350 L HN 0.400 nan 8.230 nan 0.000 0.410 351 P HA 0.062 nan 4.420 nan 0.000 0.278 351 P C 0.584 177.818 177.300 -0.110 0.000 1.238 351 P CA -0.306 62.756 63.100 -0.064 0.000 0.794 351 P CB 0.814 32.490 31.700 -0.039 0.000 0.955 352 F N 3.368 123.097 119.950 -0.368 0.000 2.141 352 F HA -0.246 4.281 4.527 0.000 0.000 0.300 352 F C 1.733 177.349 175.800 -0.307 0.000 1.079 352 F CA 1.903 59.600 58.000 -0.505 0.000 1.264 352 F CB -0.705 37.770 39.000 -0.875 0.000 1.011 352 F HN 0.397 nan 8.300 nan 0.000 0.487 353 E N -0.296 119.656 120.200 -0.413 0.000 2.265 353 E HA -0.172 4.178 4.350 0.000 0.000 0.196 353 E C 1.180 177.590 176.600 -0.317 0.000 0.996 353 E CA 0.902 57.063 56.400 -0.398 0.000 0.832 353 E CB -0.206 29.390 29.700 -0.174 0.000 0.756 353 E HN 0.443 nan 8.360 nan 0.000 0.491 354 K N 0.776 121.024 120.400 -0.254 0.000 2.675 354 K HA 0.149 4.469 4.320 0.000 0.000 0.213 354 K C 1.374 177.862 176.600 -0.187 0.000 1.074 354 K CA -0.158 56.023 56.287 -0.176 0.000 1.172 354 K CB 0.249 32.683 32.500 -0.110 0.000 0.927 354 K HN 0.147 nan 8.250 nan 0.000 0.471 355 I N 1.094 121.481 120.570 -0.304 0.000 2.208 355 I HA -0.353 3.817 4.170 0.000 0.000 0.245 355 I C 1.446 177.530 176.117 -0.056 0.000 1.097 355 I CA 1.528 62.653 61.300 -0.292 0.000 1.363 355 I CB 0.137 37.777 38.000 -0.601 0.000 1.051 355 I HN 0.291 nan 8.210 nan 0.000 0.413 356 N N 0.748 119.420 118.700 -0.047 0.000 2.309 356 N HA -0.179 4.561 4.740 0.000 0.000 0.182 356 N C 1.645 177.202 175.510 0.079 0.000 1.018 356 N CA 1.226 54.312 53.050 0.061 0.000 0.876 356 N CB -0.175 38.318 38.487 0.010 0.000 0.972 356 N HN 0.468 nan 8.380 nan 0.000 0.434 357 E N 0.019 120.226 120.200 0.013 0.000 2.158 357 E HA 0.036 4.386 4.350 0.000 0.000 0.191 357 E C 2.038 178.625 176.600 -0.021 0.000 0.982 357 E CA 0.690 57.086 56.400 -0.008 0.000 0.823 357 E CB -0.690 28.990 29.700 -0.034 0.000 0.766 357 E HN 0.340 nan 8.360 nan 0.000 0.468 358 G N -0.070 108.714 108.800 -0.027 0.000 2.418 358 G HA2 -0.245 3.715 3.960 0.000 0.000 0.217 358 G HA3 -0.245 3.715 3.960 0.000 0.000 0.217 358 G C 1.214 176.034 174.900 -0.133 0.000 1.158 358 G CA 0.474 45.508 45.100 -0.110 0.000 0.771 358 G HN 0.171 nan 8.290 nan 0.000 0.545 359 F N 1.432 121.337 119.950 -0.074 0.000 2.186 359 F HA 0.041 4.568 4.527 0.000 0.000 0.299 359 F C 2.447 178.232 175.800 -0.024 0.000 1.090 359 F CA 1.238 59.233 58.000 -0.008 0.000 1.307 359 F CB -0.111 38.937 39.000 0.081 0.000 1.019 359 F HN 0.050 nan 8.300 nan 0.000 0.489 360 D N 0.294 120.772 120.400 0.130 0.000 2.123 360 D HA -0.162 4.478 4.640 0.000 0.000 0.196 360 D C 2.475 178.763 176.300 -0.020 0.000 0.992 360 D CA 1.190 55.218 54.000 0.047 0.000 0.833 360 D CB -0.587 40.226 40.800 0.022 0.000 0.954 360 D HN 0.226 nan 8.370 nan 0.000 0.455 361 L N 0.081 121.250 121.223 -0.089 0.000 2.046 361 L HA -0.167 4.173 4.340 0.000 0.000 0.208 361 L C 2.399 179.184 176.870 -0.142 0.000 1.077 361 L CA 0.454 55.187 54.840 -0.178 0.000 0.747 361 L CB -0.336 41.500 42.059 -0.372 0.000 0.896 361 L HN 0.083 nan 8.230 nan 0.000 0.432 362 L N 0.169 121.311 121.223 -0.135 0.000 1.976 362 L HA -0.214 4.126 4.340 0.000 0.000 0.209 362 L C 2.722 179.570 176.870 -0.037 0.000 1.071 362 L CA 1.798 56.572 54.840 -0.109 0.000 0.746 362 L CB -0.532 41.425 42.059 -0.169 0.000 0.890 362 L HN 0.077 nan 8.230 nan 0.000 0.432 363 R N -0.388 120.115 120.500 0.005 0.000 2.117 363 R HA -0.139 4.201 4.340 0.000 0.000 0.243 363 R C 2.234 178.542 176.300 0.014 0.000 1.143 363 R CA 1.543 57.663 56.100 0.033 0.000 0.968 363 R CB -0.751 29.587 30.300 0.063 0.000 0.863 363 R HN 0.681 nan 8.270 nan 0.000 0.444 364 S N -0.794 114.904 115.700 -0.003 0.000 2.562 364 S HA 0.092 4.562 4.470 0.000 0.000 0.221 364 S C 1.456 176.051 174.600 -0.010 0.000 0.975 364 S CA 0.426 58.622 58.200 -0.006 0.000 0.918 364 S CB 0.513 63.704 63.200 -0.015 0.000 0.772 364 S HN 0.540 nan 8.310 nan 0.000 0.531 365 G N 1.019 109.811 108.800 -0.013 0.000 2.159 365 G HA2 -0.281 3.679 3.960 0.000 0.000 0.256 365 G HA3 -0.281 3.679 3.960 0.000 0.000 0.256 365 G C 0.505 175.398 174.900 -0.011 0.000 0.977 365 G CA 0.436 45.530 45.100 -0.010 0.000 0.652 365 G HN 0.587 nan 8.290 nan 0.000 0.531 366 E N 0.146 120.332 120.200 -0.023 0.000 2.216 366 E HA 0.155 4.505 4.350 0.000 0.000 0.192 366 E C 1.682 178.307 176.600 0.042 0.000 0.988 366 E CA 0.942 57.345 56.400 0.004 0.000 0.834 366 E CB 0.096 29.791 29.700 -0.008 0.000 0.772 366 E HN 0.714 nan 8.360 nan 0.000 0.479 367 S N -0.804 114.880 115.700 -0.026 0.000 2.726 367 S HA 0.393 4.863 4.470 0.000 0.000 0.308 367 S C 0.520 175.145 174.600 0.042 0.000 1.115 367 S CA -0.924 57.305 58.200 0.050 0.000 0.965 367 S CB 1.483 64.591 63.200 -0.154 0.000 1.145 367 S HN -0.136 nan 8.310 nan 0.000 0.532 368 I N -0.067 120.550 120.570 0.080 0.000 4.994 368 I HA 0.392 4.562 4.170 0.000 0.000 0.231 368 I C 0.557 176.694 176.117 0.033 0.000 0.970 368 I CA 0.299 61.632 61.300 0.055 0.000 1.658 368 I CB -0.679 37.363 38.000 0.070 0.000 1.476 368 I HN 0.514 nan 8.210 nan 0.000 0.462 369 R N 1.238 121.769 120.500 0.051 0.000 2.387 369 R HA 0.440 4.780 4.340 0.000 0.000 0.314 369 R C -0.921 175.405 176.300 0.044 0.000 0.958 369 R CA -0.239 55.877 56.100 0.027 0.000 0.846 369 R CB 1.255 31.576 30.300 0.036 0.000 1.147 369 R HN 0.213 nan 8.270 nan 0.000 0.447 370 T N 4.386 118.936 114.554 -0.006 0.000 2.749 370 T HA 0.398 4.748 4.350 0.000 0.000 0.287 370 T C 0.307 175.001 174.700 -0.009 0.000 0.970 370 T CA -0.440 61.663 62.100 0.005 0.000 0.980 370 T CB 0.642 69.458 68.868 -0.087 0.000 0.924 370 T HN 0.172 nan 8.240 nan 0.000 0.456 371 I N 4.579 125.159 120.570 0.017 0.000 2.331 371 I HA 0.338 4.508 4.170 0.000 0.000 0.292 371 I C 0.165 176.283 176.117 0.001 0.000 0.998 371 I CA -0.999 60.311 61.300 0.017 0.000 1.267 371 I CB 0.946 38.959 38.000 0.022 0.000 1.386 371 I HN 0.485 nan 8.210 nan 0.000 0.476 372 L N 6.265 127.488 121.223 0.001 0.000 2.292 372 L HA 0.398 4.738 4.340 0.000 0.000 0.284 372 L C 0.503 177.320 176.870 -0.089 0.000 1.065 372 L CA -0.474 54.328 54.840 -0.063 0.000 0.806 372 L CB 1.349 43.359 42.059 -0.083 0.000 1.175 372 L HN 0.656 nan 8.230 nan 0.000 0.431 373 T N -0.772 113.719 114.554 -0.104 0.000 2.859 373 T HA 0.609 4.959 4.350 0.000 0.000 0.281 373 T C -0.236 174.368 174.700 -0.160 0.000 1.005 373 T CA -0.603 61.473 62.100 -0.041 0.000 1.025 373 T CB 1.290 70.171 68.868 0.022 0.000 0.977 373 T HN 0.086 nan 8.240 nan 0.000 0.458 374 F N 0.000 119.951 119.950 0.002 0.000 2.286 374 F HA 0.000 4.527 4.527 0.000 0.000 0.279 374 F CA 0.000 57.990 58.000 -0.017 0.000 1.383 374 F CB 0.000 38.911 39.000 -0.149 0.000 1.145 374 F HN 0.000 nan 8.300 nan 0.000 0.574