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 2r0g_1_B DATA FIRST_RESID 3 DATA SEQUENCE APIETDVLIL GGGPVGMALA LDLAHRQVGH LVVEQTDGTI THPRVGTIGP DATA SEQUENCE RSMELFRRWG VAKQIRTAGW PGDHPLDAAW VTRVGGHEVY RIPLGTADTR DATA SEQUENCE ATPEHTPEPD AICPQHWLAP LLAEAVGERL RTRSRLDSFE QRDDHVRATI DATA SEQUENCE TDLRTGATRA VHARYLVACD GASSPTRKAL GIDAPPRHRT QVFRNILFRA DATA SEQUENCE PELRSLLGER AALFFFLMLS SSLRFPLRAL DGRGLYRLTV GVDXXXXXTM DATA SEQUENCE DSFELVRRAV AFDTEIEVLS DSEWHLTHRV ADSFSAGRVF LTGDAAHTLS DATA SEQUENCE PSGGFGMNTG IGSAADLGWK LAATLRGWAG PGLLATYEEE RRPVAITSLE DATA SEQUENCE EANVNLRRTM DRELPPGLHD DGPRGERIRA AVAEKLERSG ARREFDAPGI DATA SEQUENCE HFGHTYRSSI VCGEPXXXXA TGGWRPSARP GARAPHAWLT PTTSTLDLFG DATA SEQUENCE RGFVLLSFGT TDGVEAVTRA FADRHVPLET VTCHAPEIHA LYERAHVLVR DATA SEQUENCE PDGHVAWRGD HLPAELGGLV DKVRGAA 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.523 177.584 -0.102 0.000 1.274 3 A CA 0.000 51.999 52.037 -0.064 0.000 0.836 3 A CB 0.000 18.963 19.000 -0.062 0.000 0.831 4 P HA 0.431 nan 4.420 nan 0.000 0.271 4 P C -0.596 176.539 177.300 -0.274 0.000 1.226 4 P CA 0.141 63.056 63.100 -0.308 0.000 0.765 4 P CB 0.192 31.461 31.700 -0.719 0.000 0.835 5 I N 3.721 124.185 120.570 -0.178 0.000 2.471 5 I HA 0.085 4.376 4.170 0.202 0.000 0.286 5 I C 1.176 177.226 176.117 -0.112 0.000 1.079 5 I CA 0.004 61.236 61.300 -0.114 0.000 1.398 5 I CB 0.279 38.242 38.000 -0.062 0.000 1.403 5 I HN 0.421 nan 8.210 nan 0.000 0.530 6 E N 4.564 124.713 120.200 -0.086 0.000 2.227 6 E HA 0.723 5.194 4.350 0.202 0.000 0.268 6 E C -0.750 175.840 176.600 -0.018 0.000 0.907 6 E CA -0.798 55.578 56.400 -0.039 0.000 0.786 6 E CB 2.740 32.412 29.700 -0.047 0.000 1.191 6 E HN 0.460 nan 8.360 nan 0.000 0.411 7 T N 0.387 114.947 114.554 0.010 0.000 2.786 7 T HA 0.122 4.593 4.350 0.202 0.000 0.316 7 T C -0.569 174.153 174.700 0.037 0.000 1.503 7 T CA -0.472 61.635 62.100 0.012 0.000 1.019 7 T CB 1.639 70.510 68.868 0.004 0.000 1.415 7 T HN 0.417 nan 8.240 nan 0.000 0.496 8 D N 0.473 120.901 120.400 0.048 0.000 2.117 8 D HA 0.108 4.870 4.640 0.202 0.000 0.198 8 D C 0.539 176.910 176.300 0.118 0.000 0.982 8 D CA 1.403 55.449 54.000 0.077 0.000 0.828 8 D CB 0.209 41.057 40.800 0.081 0.000 0.967 8 D HN 0.296 nan 8.370 nan 0.000 0.464 9 V N 1.248 121.227 119.914 0.108 0.000 2.525 9 V HA 0.268 4.509 4.120 0.202 0.000 0.299 9 V C -0.833 175.314 176.094 0.088 0.000 1.034 9 V CA -1.010 61.355 62.300 0.108 0.000 0.863 9 V CB 2.435 34.293 31.823 0.059 0.000 0.999 9 V HN -0.081 nan 8.190 nan 0.000 0.423 10 L N 6.621 127.887 121.223 0.071 0.000 2.272 10 L HA 0.629 5.090 4.340 0.202 0.000 0.289 10 L C -0.467 176.418 176.870 0.024 0.000 1.032 10 L CA 0.199 55.069 54.840 0.050 0.000 0.810 10 L CB 0.944 43.032 42.059 0.047 0.000 1.205 10 L HN 0.558 nan 8.230 nan 0.000 0.422 11 I N 6.469 127.052 120.570 0.021 0.000 2.307 11 I HA 0.223 4.514 4.170 0.202 0.000 0.289 11 I C -0.290 175.822 176.117 -0.008 0.000 1.021 11 I CA -0.369 60.926 61.300 -0.008 0.000 1.224 11 I CB 1.196 39.188 38.000 -0.013 0.000 1.376 11 I HN 0.474 nan 8.210 nan 0.000 0.470 12 L N 7.522 128.730 121.223 -0.024 0.000 2.295 12 L HA 0.575 5.037 4.340 0.202 0.000 0.288 12 L C 0.243 177.100 176.870 -0.021 0.000 1.079 12 L CA 0.136 54.964 54.840 -0.020 0.000 0.830 12 L CB 0.248 42.285 42.059 -0.036 0.000 1.200 12 L HN 0.898 nan 8.230 nan 0.000 0.438 13 G N 2.622 111.416 108.800 -0.010 0.000 3.313 13 G HA2 -0.053 4.028 3.960 0.202 0.000 0.659 13 G HA3 -0.053 4.028 3.960 0.202 0.000 0.659 13 G C 0.034 174.930 174.900 -0.006 0.000 1.286 13 G CA -0.407 44.687 45.100 -0.010 0.000 1.077 13 G HN 0.844 nan 8.290 nan 0.000 0.551 14 G N 0.499 109.299 108.800 0.001 0.000 3.523 14 G HA2 0.618 4.699 3.960 0.202 0.000 0.270 14 G HA3 0.618 4.699 3.960 0.202 0.000 0.270 14 G C 0.982 175.887 174.900 0.007 0.000 1.134 14 G CA 0.986 46.090 45.100 0.005 0.000 0.825 14 G HN 1.247 nan 8.290 nan 0.000 0.534 15 G N 0.622 109.425 108.800 0.005 0.000 2.553 15 G HA2 0.397 4.478 3.960 0.202 0.000 0.278 15 G HA3 0.397 4.478 3.960 0.202 0.000 0.278 15 G C -0.897 174.016 174.900 0.022 0.000 1.349 15 G CA -0.714 44.391 45.100 0.009 0.000 1.037 15 G HN -0.003 nan 8.290 nan 0.000 0.508 16 P HA -0.115 nan 4.420 nan 0.000 0.214 16 P C 2.107 179.458 177.300 0.085 0.000 1.163 16 P CA 1.080 64.225 63.100 0.076 0.000 0.889 16 P CB -0.038 31.712 31.700 0.084 0.000 0.790 17 V N -0.107 119.841 119.914 0.057 0.000 2.295 17 V HA -0.174 4.068 4.120 0.202 0.000 0.246 17 V C 2.623 178.715 176.094 -0.004 0.000 1.049 17 V CA 2.485 64.809 62.300 0.040 0.000 1.024 17 V CB -2.014 29.826 31.823 0.028 0.000 0.648 17 V HN 0.193 nan 8.190 nan 0.000 0.447 18 G N -0.517 108.273 108.800 -0.015 0.000 2.422 18 G HA2 -0.237 3.845 3.960 0.202 0.000 0.218 18 G HA3 -0.237 3.845 3.960 0.202 0.000 0.218 18 G C 1.539 176.407 174.900 -0.054 0.000 1.146 18 G CA 0.986 46.062 45.100 -0.040 0.000 0.769 18 G HN 0.301 nan 8.290 nan 0.000 0.547 19 M N 1.173 120.759 119.600 -0.024 0.000 2.132 19 M HA 0.085 4.687 4.480 0.202 0.000 0.263 19 M C 3.011 179.252 176.300 -0.098 0.000 1.065 19 M CA 1.190 56.471 55.300 -0.032 0.000 1.122 19 M CB -1.278 31.333 32.600 0.018 0.000 1.365 19 M HN 0.314 nan 8.290 nan 0.000 0.411 20 A N 0.110 122.891 122.820 -0.065 0.000 1.933 20 A HA -0.135 4.306 4.320 0.202 0.000 0.218 20 A C 2.288 179.615 177.584 -0.428 0.000 1.175 20 A CA 1.125 53.033 52.037 -0.214 0.000 0.628 20 A CB -0.887 18.116 19.000 0.006 0.000 0.814 20 A HN 0.465 nan 8.150 nan 0.000 0.444 21 L N -0.793 120.280 121.223 -0.250 0.000 2.083 21 L HA -0.171 4.290 4.340 0.202 0.000 0.209 21 L C 2.840 179.479 176.870 -0.385 0.000 1.083 21 L CA 1.598 56.277 54.840 -0.269 0.000 0.752 21 L CB -0.644 41.301 42.059 -0.190 0.000 0.899 21 L HN 0.453 nan 8.230 nan 0.000 0.433 22 A N 0.048 122.652 122.820 -0.360 0.000 1.902 22 A HA -0.203 4.239 4.320 0.202 0.000 0.217 22 A C 2.167 179.427 177.584 -0.540 0.000 1.181 22 A CA 1.381 53.132 52.037 -0.476 0.000 0.623 22 A CB -0.624 18.271 19.000 -0.175 0.000 0.818 22 A HN 0.466 nan 8.150 nan 0.000 0.443 23 L N -0.818 120.086 121.223 -0.533 0.000 2.046 23 L HA -0.204 4.258 4.340 0.202 0.000 0.208 23 L C 2.403 178.746 176.870 -0.879 0.000 1.077 23 L CA 1.901 56.332 54.840 -0.682 0.000 0.747 23 L CB -0.589 40.908 42.059 -0.937 0.000 0.896 23 L HN 0.485 nan 8.230 nan 0.000 0.432 24 D N 0.076 119.888 120.400 -0.980 0.000 2.117 24 D HA -0.168 4.594 4.640 0.202 0.000 0.198 24 D C 2.322 178.535 176.300 -0.146 0.000 0.982 24 D CA 0.984 54.737 54.000 -0.412 0.000 0.828 24 D CB 0.082 40.818 40.800 -0.107 0.000 0.967 24 D HN 0.175 nan 8.370 nan 0.000 0.464 25 L N -0.031 121.024 121.223 -0.281 0.000 2.093 25 L HA -0.049 4.412 4.340 0.202 0.000 0.208 25 L C 2.567 179.387 176.870 -0.082 0.000 1.085 25 L CA 0.945 55.661 54.840 -0.207 0.000 0.755 25 L CB -0.492 41.335 42.059 -0.386 0.000 0.904 25 L HN 0.091 nan 8.230 nan 0.000 0.435 26 A N -0.537 122.212 122.820 -0.118 0.000 1.902 26 A HA -0.247 4.194 4.320 0.202 0.000 0.217 26 A C 1.888 179.518 177.584 0.077 0.000 1.181 26 A CA 1.582 53.674 52.037 0.091 0.000 0.623 26 A CB -0.777 18.291 19.000 0.114 0.000 0.818 26 A HN 0.414 nan 8.150 nan 0.000 0.443 27 H N -0.944 118.140 119.070 0.023 0.000 2.563 27 H HA 0.147 4.825 4.556 0.202 0.000 0.272 27 H C 1.231 176.635 175.328 0.127 0.000 1.005 27 H CA 0.835 56.954 56.048 0.118 0.000 1.171 27 H CB 0.091 29.999 29.762 0.243 0.000 1.351 27 H HN 0.428 nan 8.280 nan 0.000 0.602 28 R N 1.106 121.714 120.500 0.179 0.000 2.613 28 R HA 0.041 4.502 4.340 0.202 0.000 0.361 28 R C -0.118 176.255 176.300 0.122 0.000 1.072 28 R CA -0.022 56.175 56.100 0.162 0.000 1.089 28 R CB 0.547 30.945 30.300 0.163 0.000 1.343 28 R HN 0.261 nan 8.270 nan 0.000 0.571 29 Q N -0.612 119.247 119.800 0.098 0.000 2.406 29 Q HA -0.164 4.298 4.340 0.202 0.000 0.339 29 Q C -0.740 175.317 176.000 0.093 0.000 1.337 29 Q CA 0.678 56.532 55.803 0.085 0.000 0.985 29 Q CB -2.450 26.330 28.738 0.070 0.000 1.216 29 Q HN 0.112 nan 8.270 nan 0.000 0.415 30 V N 0.131 120.113 119.914 0.113 0.000 2.459 30 V HA 0.656 4.898 4.120 0.202 0.000 0.295 30 V C 1.152 177.354 176.094 0.180 0.000 1.029 30 V CA -0.208 62.159 62.300 0.111 0.000 0.874 30 V CB 1.927 33.792 31.823 0.070 0.000 0.985 30 V HN 0.502 nan 8.190 nan 0.000 0.438 31 G N 4.585 113.448 108.800 0.105 0.000 2.343 31 G HA2 0.460 4.541 3.960 0.202 0.000 0.254 31 G HA3 0.460 4.541 3.960 0.202 0.000 0.254 31 G C -0.218 174.737 174.900 0.091 0.000 1.277 31 G CA 0.045 45.175 45.100 0.049 0.000 0.909 31 G HN 0.964 nan 8.290 nan 0.000 0.502 32 H N 0.455 119.518 119.070 -0.011 0.000 2.990 32 H HA 0.727 5.405 4.556 0.203 0.000 0.343 32 H C -1.912 173.406 175.328 -0.016 0.000 1.270 32 H CA -1.178 54.861 56.048 -0.016 0.000 1.118 32 H CB 1.918 31.659 29.762 -0.034 0.000 1.861 32 H HN 0.494 nan 8.280 nan 0.000 0.544 33 L N 1.156 122.418 121.223 0.066 0.000 2.466 33 L HA 0.509 4.970 4.340 0.202 0.000 0.258 33 L C -1.528 175.384 176.870 0.070 0.000 0.973 33 L CA -0.983 53.864 54.840 0.012 0.000 0.826 33 L CB 2.329 44.383 42.059 -0.009 0.000 1.372 33 L HN 0.494 nan 8.230 nan 0.000 0.409 34 V N 3.795 123.740 119.914 0.053 0.000 2.487 34 V HA 0.473 4.714 4.120 0.202 0.000 0.298 34 V C -0.501 175.606 176.094 0.022 0.000 1.028 34 V CA -0.698 61.627 62.300 0.042 0.000 0.860 34 V CB 1.997 33.848 31.823 0.047 0.000 0.991 34 V HN 0.467 nan 8.190 nan 0.000 0.427 35 V N 1.530 121.454 119.914 0.017 0.000 2.384 35 V HA 0.874 5.116 4.120 0.202 0.000 0.287 35 V C -0.635 175.466 176.094 0.012 0.000 1.020 35 V CA -0.572 61.737 62.300 0.015 0.000 0.850 35 V CB 1.570 33.404 31.823 0.018 0.000 0.987 35 V HN 0.877 nan 8.190 nan 0.000 0.436 36 E N 4.063 124.270 120.200 0.012 0.000 2.185 36 E HA 0.341 4.812 4.350 0.202 0.000 0.261 36 E C 0.924 177.531 176.600 0.012 0.000 0.879 36 E CA -0.338 56.069 56.400 0.011 0.000 0.756 36 E CB 2.181 31.887 29.700 0.011 0.000 1.152 36 E HN 0.848 nan 8.360 nan 0.000 0.416 37 Q N 2.343 122.150 119.800 0.012 0.000 2.226 37 Q HA -0.059 4.402 4.340 0.202 0.000 0.204 37 Q C 0.486 176.493 176.000 0.012 0.000 0.975 37 Q CA 1.319 57.130 55.803 0.013 0.000 0.866 37 Q CB -0.450 28.296 28.738 0.014 0.000 0.915 37 Q HN 0.560 nan 8.270 nan 0.000 0.440 38 T N -0.238 114.322 114.554 0.012 0.000 2.824 38 T HA 0.119 4.590 4.350 0.202 0.000 0.277 38 T C 0.377 175.084 174.700 0.013 0.000 0.975 38 T CA -0.186 61.922 62.100 0.012 0.000 0.966 38 T CB 1.009 69.884 68.868 0.012 0.000 1.054 38 T HN 0.311 nan 8.240 nan 0.000 0.533 39 D N -1.603 118.805 120.400 0.013 0.000 2.363 39 D HA 0.221 4.982 4.640 0.202 0.000 0.226 39 D C 1.584 177.894 176.300 0.016 0.000 1.020 39 D CA 0.528 54.536 54.000 0.014 0.000 0.892 39 D CB -0.732 40.077 40.800 0.014 0.000 0.900 39 D HN 1.111 nan 8.370 nan 0.000 0.531 40 G N -0.338 108.472 108.800 0.017 0.000 2.195 40 G HA2 -0.279 3.803 3.960 0.202 0.000 0.246 40 G HA3 -0.279 3.803 3.960 0.202 0.000 0.246 40 G C 0.541 175.455 174.900 0.024 0.000 0.984 40 G CA 0.511 45.623 45.100 0.019 0.000 0.633 40 G HN 0.809 nan 8.290 nan 0.000 0.525 41 T N -0.525 114.044 114.554 0.026 0.000 2.874 41 T HA 0.740 5.211 4.350 0.202 0.000 0.281 41 T C 0.156 174.875 174.700 0.031 0.000 0.994 41 T CA -0.730 61.390 62.100 0.034 0.000 1.015 41 T CB 2.146 71.034 68.868 0.033 0.000 1.028 41 T HN 0.352 nan 8.240 nan 0.000 0.523 42 I N 1.582 122.175 120.570 0.039 0.000 2.404 42 I HA 0.310 4.602 4.170 0.202 0.000 0.293 42 I C 0.893 177.014 176.117 0.006 0.000 0.992 42 I CA -0.552 60.763 61.300 0.026 0.000 1.149 42 I CB 1.505 39.525 38.000 0.034 0.000 1.315 42 I HN 0.879 nan 8.210 nan 0.000 0.446 43 T N 2.986 117.542 114.554 0.005 0.000 3.071 43 T HA 0.013 4.485 4.350 0.202 0.000 0.239 43 T C 0.130 174.838 174.700 0.014 0.000 0.997 43 T CA 0.902 63.002 62.100 0.001 0.000 1.134 43 T CB 0.017 68.898 68.868 0.021 0.000 0.928 43 T HN 0.507 nan 8.240 nan 0.000 0.453 44 H N 2.324 121.344 119.070 -0.083 0.000 2.683 44 H HA 0.432 5.109 4.556 0.202 0.000 0.270 44 H C -2.801 172.460 175.328 -0.111 0.000 1.201 44 H CA -2.717 53.273 56.048 -0.097 0.000 1.277 44 H CB 0.450 30.175 29.762 -0.062 0.000 1.400 44 H HN 0.075 nan 8.280 nan 0.000 0.504 45 P HA 0.006 nan 4.420 nan 0.000 0.261 45 P C 0.539 177.616 177.300 -0.371 0.000 1.183 45 P CA 0.181 63.122 63.100 -0.266 0.000 0.761 45 P CB 1.032 32.599 31.700 -0.222 0.000 0.785 46 R N 3.495 123.842 120.500 -0.255 0.000 2.040 46 R HA 0.087 4.549 4.340 0.202 0.000 0.209 46 R C 0.279 176.437 176.300 -0.236 0.000 1.281 46 R CA 0.433 56.367 56.100 -0.277 0.000 1.064 46 R CB -0.238 29.934 30.300 -0.213 0.000 0.950 46 R HN 0.372 nan 8.270 nan 0.000 0.462 47 V N -0.507 119.307 119.914 -0.167 0.000 2.715 47 V HA 0.483 4.725 4.120 0.202 0.000 0.299 47 V C 0.563 176.568 176.094 -0.149 0.000 1.054 47 V CA 0.451 62.672 62.300 -0.132 0.000 1.077 47 V CB 1.454 33.233 31.823 -0.074 0.000 0.972 47 V HN 0.517 nan 8.190 nan 0.000 0.484 48 G N 2.359 111.072 108.800 -0.144 0.000 2.578 48 G HA2 0.254 4.335 3.960 0.202 0.000 0.184 48 G HA3 0.254 4.335 3.960 0.202 0.000 0.184 48 G C 0.390 175.180 174.900 -0.184 0.000 1.289 48 G CA 0.411 45.395 45.100 -0.193 0.000 0.847 48 G HN 0.748 nan 8.290 nan 0.000 0.880 49 T N 2.187 116.679 114.554 -0.103 0.000 2.809 49 T HA 0.522 4.994 4.350 0.202 0.000 0.296 49 T C -0.310 174.377 174.700 -0.021 0.000 1.015 49 T CA -0.185 61.872 62.100 -0.072 0.000 0.954 49 T CB 1.592 70.468 68.868 0.013 0.000 0.950 49 T HN 0.069 nan 8.240 nan 0.000 0.450 50 I N 3.065 123.622 120.570 -0.023 0.000 2.312 50 I HA 0.352 4.643 4.170 0.202 0.000 0.291 50 I C 1.385 177.506 176.117 0.007 0.000 1.031 50 I CA -0.615 60.711 61.300 0.043 0.000 1.293 50 I CB 0.782 38.832 38.000 0.083 0.000 1.403 50 I HN 0.641 nan 8.210 nan 0.000 0.484 51 G N 7.424 116.223 108.800 -0.002 0.000 2.664 51 G HA2 0.138 4.219 3.960 0.202 0.000 0.242 51 G HA3 0.138 4.219 3.960 0.202 0.000 0.242 51 G C -1.349 173.432 174.900 -0.199 0.000 1.225 51 G CA -0.792 44.208 45.100 -0.166 0.000 0.849 51 G HN 0.458 nan 8.290 nan 0.000 0.581 52 P HA -0.127 nan 4.420 nan 0.000 0.217 52 P C 1.616 178.829 177.300 -0.144 0.000 1.150 52 P CA 0.731 63.725 63.100 -0.176 0.000 0.832 52 P CB 0.262 31.917 31.700 -0.075 0.000 0.787 53 R N 0.725 121.029 120.500 -0.327 0.000 2.115 53 R HA 0.007 4.468 4.340 0.202 0.000 0.230 53 R C 2.303 178.504 176.300 -0.166 0.000 1.111 53 R CA 1.742 57.719 56.100 -0.205 0.000 0.976 53 R CB -1.476 28.661 30.300 -0.271 0.000 0.870 53 R HN 0.025 nan 8.270 nan 0.000 0.445 54 S N 0.188 115.797 115.700 -0.151 0.000 2.368 54 S HA -0.078 4.514 4.470 0.202 0.000 0.225 54 S C 1.696 176.182 174.600 -0.190 0.000 1.030 54 S CA 1.371 59.450 58.200 -0.201 0.000 0.999 54 S CB -0.138 63.050 63.200 -0.020 0.000 0.844 54 S HN 0.243 nan 8.310 nan 0.000 0.459 55 M N 1.433 121.045 119.600 0.020 0.000 2.358 55 M HA -0.024 4.578 4.480 0.202 0.000 0.264 55 M C 1.774 178.071 176.300 -0.005 0.000 1.064 55 M CA 1.121 56.495 55.300 0.124 0.000 1.093 55 M CB -1.217 31.438 32.600 0.091 0.000 1.401 55 M HN 0.402 nan 8.290 nan 0.000 0.440 56 E N 0.040 120.183 120.200 -0.096 0.000 2.107 56 E HA -0.071 4.401 4.350 0.202 0.000 0.191 56 E C 2.148 178.567 176.600 -0.301 0.000 0.982 56 E CA 0.738 57.059 56.400 -0.132 0.000 0.809 56 E CB -0.036 29.622 29.700 -0.070 0.000 0.756 56 E HN 0.447 nan 8.360 nan 0.000 0.459 57 L N -0.096 120.830 121.223 -0.495 0.000 2.072 57 L HA -0.107 4.355 4.340 0.202 0.000 0.205 57 L C 2.115 178.286 176.870 -1.165 0.000 1.079 57 L CA 0.790 55.002 54.840 -1.046 0.000 0.752 57 L CB -0.280 41.063 42.059 -1.194 0.000 0.906 57 L HN 0.088 nan 8.230 nan 0.000 0.436 58 F N 0.066 119.788 119.950 -0.379 0.000 2.293 58 F HA -0.107 4.544 4.527 0.206 0.000 0.300 58 F C 2.713 178.464 175.800 -0.081 0.000 1.086 58 F CA 0.935 58.908 58.000 -0.045 0.000 1.375 58 F CB -0.592 38.450 39.000 0.069 0.000 1.045 58 F HN 0.008 nan 8.300 nan 0.000 0.516 59 R N 0.754 121.254 120.500 -0.001 0.000 2.075 59 R HA -0.143 4.318 4.340 0.202 0.000 0.232 59 R C 2.486 178.744 176.300 -0.069 0.000 1.126 59 R CA 1.314 57.411 56.100 -0.005 0.000 0.963 59 R CB -0.272 30.011 30.300 -0.030 0.000 0.858 59 R HN 0.193 nan 8.270 nan 0.000 0.435 60 R N -0.149 120.197 120.500 -0.257 0.000 2.073 60 R HA -0.142 4.319 4.340 0.202 0.000 0.234 60 R C 1.352 177.514 176.300 -0.230 0.000 1.134 60 R CA 1.671 57.596 56.100 -0.292 0.000 0.952 60 R CB -0.252 29.726 30.300 -0.537 0.000 0.850 60 R HN 0.350 nan 8.270 nan 0.000 0.433 61 W N 0.272 121.438 121.300 -0.223 0.000 3.077 61 W HA 0.251 5.031 4.660 0.200 0.000 0.245 61 W C 0.994 177.505 176.519 -0.013 0.000 1.316 61 W CA 0.841 57.958 57.345 -0.381 0.000 1.537 61 W CB -0.718 28.629 29.460 -0.188 0.000 1.131 61 W HN 0.533 nan 8.180 nan 0.000 0.695 62 G N 0.721 109.649 108.800 0.212 0.000 2.176 62 G HA2 -0.279 3.802 3.960 0.202 0.000 0.252 62 G HA3 -0.279 3.802 3.960 0.202 0.000 0.252 62 G C 0.495 175.500 174.900 0.175 0.000 1.024 62 G CA 0.580 45.797 45.100 0.196 0.000 0.755 62 G HN 0.578 nan 8.290 nan 0.000 0.507 63 V N -4.401 115.630 119.914 0.196 0.000 3.432 63 V HA 0.744 4.985 4.120 0.202 0.000 0.298 63 V C 2.150 178.273 176.094 0.048 0.000 1.464 63 V CA 1.025 63.391 62.300 0.109 0.000 1.046 63 V CB -0.006 31.870 31.823 0.088 0.000 0.887 63 V HN 1.163 nan 8.190 nan 0.000 0.441 64 A N 1.783 124.668 122.820 0.107 0.000 1.877 64 A HA -0.132 4.310 4.320 0.202 0.000 0.216 64 A C 2.222 179.826 177.584 0.035 0.000 1.186 64 A CA 2.304 54.391 52.037 0.083 0.000 0.620 64 A CB -0.449 18.618 19.000 0.111 0.000 0.822 64 A HN 0.579 nan 8.150 nan 0.000 0.443 65 K N 0.028 120.450 120.400 0.037 0.000 2.009 65 K HA -0.205 4.236 4.320 0.202 0.000 0.210 65 K C 2.312 178.909 176.600 -0.006 0.000 1.049 65 K CA 1.595 57.894 56.287 0.021 0.000 0.929 65 K CB -0.314 32.201 32.500 0.025 0.000 0.714 65 K HN 0.750 nan 8.250 nan 0.000 0.440 66 Q N 0.922 120.712 119.800 -0.017 0.000 2.291 66 Q HA -0.132 4.329 4.340 0.202 0.000 0.206 66 Q C 1.989 177.946 176.000 -0.072 0.000 0.976 66 Q CA 1.345 57.120 55.803 -0.047 0.000 0.875 66 Q CB -0.375 28.336 28.738 -0.044 0.000 0.927 66 Q HN 0.431 nan 8.270 nan 0.000 0.450 67 I N 0.855 121.384 120.570 -0.069 0.000 2.286 67 I HA -0.191 4.101 4.170 0.202 0.000 0.245 67 I C 2.520 178.615 176.117 -0.037 0.000 1.104 67 I CA 0.971 62.222 61.300 -0.081 0.000 1.397 67 I CB -0.138 37.789 38.000 -0.122 0.000 1.072 67 I HN 0.157 nan 8.210 nan 0.000 0.417 68 R N 0.154 120.646 120.500 -0.014 0.000 2.189 68 R HA -0.073 4.389 4.340 0.202 0.000 0.218 68 R C 1.675 177.980 176.300 0.010 0.000 1.074 68 R CA 1.673 57.785 56.100 0.021 0.000 0.991 68 R CB -0.306 30.015 30.300 0.034 0.000 0.883 68 R HN 0.443 nan 8.270 nan 0.000 0.457 69 T N -3.302 111.227 114.554 -0.042 0.000 3.176 69 T HA 0.325 4.796 4.350 0.202 0.000 0.263 69 T C 1.455 176.044 174.700 -0.185 0.000 1.021 69 T CA 0.196 62.245 62.100 -0.085 0.000 0.905 69 T CB 0.880 69.703 68.868 -0.076 0.000 1.057 69 T HN 0.089 nan 8.240 nan 0.000 0.558 70 A N 1.014 123.701 122.820 -0.220 0.000 2.172 70 A HA 0.542 4.983 4.320 0.202 0.000 0.216 70 A C 2.030 179.047 177.584 -0.945 0.000 1.154 70 A CA 0.945 52.714 52.037 -0.446 0.000 0.701 70 A CB -0.806 18.025 19.000 -0.282 0.000 0.789 70 A HN 1.185 nan 8.150 nan 0.000 0.465 71 G N -3.451 104.946 108.800 -0.671 0.000 2.935 71 G HA2 -0.145 3.936 3.960 0.202 0.000 0.213 71 G HA3 -0.145 3.936 3.960 0.202 0.000 0.213 71 G C 0.021 174.804 174.900 -0.196 0.000 0.984 71 G CA -0.122 44.505 45.100 -0.789 0.000 0.790 71 G HN 0.530 nan 8.290 nan 0.000 0.538 72 W N 3.332 124.600 121.300 -0.053 0.000 2.322 72 W HA 0.471 5.254 4.660 0.204 0.000 0.328 72 W C -2.303 174.226 176.519 0.017 0.000 1.395 72 W CA -1.206 56.206 57.345 0.110 0.000 1.267 72 W CB 0.586 30.103 29.460 0.095 0.000 1.259 72 W HN 0.041 nan 8.180 nan 0.000 0.560 73 P HA 0.048 nan 4.420 nan 0.000 0.267 73 P C 0.879 177.904 177.300 -0.460 0.000 1.209 73 P CA 0.467 63.251 63.100 -0.526 0.000 0.763 73 P CB 0.719 32.115 31.700 -0.506 0.000 0.816 74 G N 2.979 111.677 108.800 -0.171 0.000 2.432 74 G HA2 -0.222 3.859 3.960 0.202 0.000 0.219 74 G HA3 -0.222 3.859 3.960 0.202 0.000 0.219 74 G C 0.736 175.620 174.900 -0.026 0.000 1.135 74 G CA 0.595 45.672 45.100 -0.039 0.000 0.767 74 G HN 0.588 nan 8.290 nan 0.000 0.550 75 D N -1.402 118.953 120.400 -0.076 0.000 2.328 75 D HA 0.011 4.773 4.640 0.202 0.000 0.221 75 D C 0.697 176.961 176.300 -0.059 0.000 1.072 75 D CA -0.471 53.498 54.000 -0.051 0.000 0.850 75 D CB -0.375 40.387 40.800 -0.065 0.000 0.922 75 D HN 0.246 nan 8.370 nan 0.000 0.516 76 H N 0.974 119.920 119.070 -0.206 0.000 2.548 76 H HA 0.309 4.987 4.556 0.202 0.000 0.331 76 H C -2.418 172.922 175.328 0.020 0.000 1.093 76 H CA -2.024 53.905 56.048 -0.199 0.000 1.367 76 H CB 1.136 30.547 29.762 -0.585 0.000 1.455 76 H HN -0.073 nan 8.280 nan 0.000 0.519 77 P HA 0.028 nan 4.420 nan 0.000 0.269 77 P C 0.356 177.886 177.300 0.383 0.000 1.215 77 P CA 0.105 63.322 63.100 0.195 0.000 0.780 77 P CB 0.897 32.613 31.700 0.028 0.000 0.898 78 L N 0.173 121.533 121.223 0.227 0.000 2.858 78 L HA 0.181 4.643 4.340 0.202 0.000 0.251 78 L C 0.211 177.132 176.870 0.086 0.000 1.149 78 L CA -0.162 54.785 54.840 0.179 0.000 0.955 78 L CB -0.082 42.074 42.059 0.163 0.000 1.289 78 L HN 0.297 nan 8.230 nan 0.000 0.542 79 D N 1.669 122.092 120.400 0.039 0.000 2.364 79 D HA 0.224 4.985 4.640 0.202 0.000 0.236 79 D C 0.315 176.542 176.300 -0.123 0.000 1.221 79 D CA 0.299 54.276 54.000 -0.038 0.000 0.891 79 D CB 1.034 41.804 40.800 -0.050 0.000 1.190 79 D HN 0.076 nan 8.370 nan 0.000 0.449 80 A N 0.047 122.736 122.820 -0.219 0.000 2.340 80 A HA 0.644 5.085 4.320 0.202 0.000 0.297 80 A C -0.724 176.723 177.584 -0.228 0.000 1.195 80 A CA -0.614 51.175 52.037 -0.414 0.000 0.769 80 A CB 0.974 19.328 19.000 -1.077 0.000 1.163 80 A HN 0.537 nan 8.150 nan 0.000 0.472 81 A N 2.739 125.447 122.820 -0.185 0.000 2.331 81 A HA 0.663 5.104 4.320 0.202 0.000 0.320 81 A C -0.769 176.963 177.584 0.246 0.000 1.138 81 A CA -0.414 51.690 52.037 0.112 0.000 0.790 81 A CB 0.723 19.805 19.000 0.137 0.000 1.206 81 A HN 0.831 nan 8.150 nan 0.000 0.470 82 W N 3.380 124.844 121.300 0.274 0.000 2.358 82 W HA 0.467 5.248 4.660 0.202 0.000 0.307 82 W C -0.248 176.439 176.519 0.279 0.000 1.203 82 W CA -0.148 57.392 57.345 0.325 0.000 1.279 82 W CB 1.646 31.271 29.460 0.275 0.000 1.264 82 W HN 0.712 nan 8.180 nan 0.000 0.474 83 V N 0.578 120.734 119.914 0.404 0.000 3.001 83 V HA 0.464 4.706 4.120 0.202 0.000 0.314 83 V C 0.802 176.985 176.094 0.149 0.000 1.099 83 V CA -0.594 61.856 62.300 0.250 0.000 0.989 83 V CB 1.534 33.451 31.823 0.157 0.000 1.040 83 V HN 0.594 nan 8.190 nan 0.000 0.434 84 T N -0.794 113.794 114.554 0.055 0.000 2.951 84 T HA 0.183 4.654 4.350 0.202 0.000 0.268 84 T C 0.754 175.341 174.700 -0.188 0.000 1.073 84 T CA 1.113 63.150 62.100 -0.104 0.000 1.134 84 T CB -0.119 68.588 68.868 -0.269 0.000 0.884 84 T HN 0.922 nan 8.240 nan 0.000 0.479 85 R N -0.220 120.184 120.500 -0.161 0.000 2.644 85 R HA 0.427 4.888 4.340 0.202 0.000 0.257 85 R C -1.884 174.252 176.300 -0.274 0.000 1.082 85 R CA -0.641 55.333 56.100 -0.211 0.000 0.927 85 R CB 1.884 32.025 30.300 -0.265 0.000 1.258 85 R HN 0.081 nan 8.270 nan 0.000 0.459 86 V N 3.423 123.139 119.914 -0.331 0.000 2.540 86 V HA 0.206 4.447 4.120 0.202 0.000 0.297 86 V C 1.388 177.187 176.094 -0.491 0.000 1.024 86 V CA 1.865 63.850 62.300 -0.524 0.000 1.105 86 V CB 0.881 32.408 31.823 -0.493 0.000 0.938 86 V HN 1.103 nan 8.190 nan 0.000 0.482 87 G N 3.429 111.941 108.800 -0.480 0.000 2.143 87 G HA2 -0.142 3.939 3.960 0.202 0.000 0.249 87 G HA3 -0.142 3.939 3.960 0.202 0.000 0.249 87 G C 0.474 175.011 174.900 -0.605 0.000 0.981 87 G CA 0.335 45.014 45.100 -0.702 0.000 0.665 87 G HN 1.288 nan 8.290 nan 0.000 0.528 88 G N -1.189 107.372 108.800 -0.398 0.000 3.410 88 G HA2 0.570 4.651 3.960 0.202 0.000 0.189 88 G HA3 0.570 4.651 3.960 0.202 0.000 0.189 88 G C -0.373 174.381 174.900 -0.244 0.000 1.404 88 G CA -0.452 44.421 45.100 -0.378 0.000 0.898 88 G HN 0.484 nan 8.290 nan 0.000 0.650 89 H N 0.554 119.572 119.070 -0.087 0.000 2.620 89 H HA 0.384 5.061 4.556 0.202 0.000 0.313 89 H C -0.466 174.883 175.328 0.036 0.000 1.075 89 H CA -0.187 55.852 56.048 -0.015 0.000 1.397 89 H CB 1.744 31.505 29.762 -0.002 0.000 1.446 89 H HN 0.364 nan 8.280 nan 0.000 0.493 90 E N 3.007 123.336 120.200 0.215 0.000 2.259 90 E HA 0.099 4.571 4.350 0.202 0.000 0.281 90 E C -0.078 176.650 176.600 0.213 0.000 1.027 90 E CA -0.325 56.203 56.400 0.214 0.000 0.838 90 E CB 1.030 30.851 29.700 0.201 0.000 1.066 90 E HN 0.431 nan 8.360 nan 0.000 0.401 91 V N 4.852 124.923 119.914 0.261 0.000 2.672 91 V HA 0.069 4.310 4.120 0.202 0.000 0.242 91 V C -0.466 175.816 176.094 0.313 0.000 1.059 91 V CA 0.458 62.905 62.300 0.245 0.000 1.081 91 V CB 0.160 32.132 31.823 0.248 0.000 0.752 91 V HN 0.662 nan 8.190 nan 0.000 0.472 92 Y N 0.414 120.841 120.300 0.213 0.000 2.480 92 Y HA 0.646 5.317 4.550 0.202 0.000 0.329 92 Y C -0.659 175.423 175.900 0.303 0.000 1.127 92 Y CA -1.550 56.650 58.100 0.166 0.000 1.037 92 Y CB 1.247 39.702 38.460 -0.008 0.000 1.320 92 Y HN 0.077 nan 8.280 nan 0.000 0.446 93 R N 6.106 126.403 120.500 -0.339 0.000 2.744 93 R HA 0.754 5.216 4.340 0.202 0.000 0.279 93 R C -1.886 174.153 176.300 -0.434 0.000 0.977 93 R CA -0.769 55.191 56.100 -0.233 0.000 0.906 93 R CB 1.425 31.700 30.300 -0.041 0.000 1.197 93 R HN 0.801 nan 8.270 nan 0.000 0.463 94 I N 5.490 125.938 120.570 -0.203 0.000 2.502 94 I HA 0.306 4.597 4.170 0.202 0.000 0.276 94 I C -2.077 174.014 176.117 -0.043 0.000 1.057 94 I CA -2.217 59.011 61.300 -0.120 0.000 1.163 94 I CB 1.846 39.849 38.000 0.004 0.000 1.288 94 I HN 0.382 nan 8.210 nan 0.000 0.479 95 P HA 0.081 nan 4.420 nan 0.000 0.267 95 P C -0.047 177.274 177.300 0.035 0.000 1.209 95 P CA 0.166 63.270 63.100 0.007 0.000 0.763 95 P CB 1.329 33.037 31.700 0.013 0.000 0.816 96 L N 2.371 123.622 121.223 0.048 0.000 3.229 96 L HA 0.292 4.753 4.340 0.202 0.000 0.286 96 L C 1.471 178.392 176.870 0.085 0.000 1.239 96 L CA -0.093 54.791 54.840 0.075 0.000 1.035 96 L CB -0.003 42.108 42.059 0.088 0.000 1.408 96 L HN 0.636 nan 8.230 nan 0.000 0.593 97 G N 1.466 110.309 108.800 0.072 0.000 2.574 97 G HA2 -0.312 3.769 3.960 0.202 0.000 0.282 97 G HA3 -0.312 3.769 3.960 0.202 0.000 0.282 97 G C 0.072 175.034 174.900 0.104 0.000 1.257 97 G CA 0.264 45.408 45.100 0.074 0.000 0.956 97 G HN 0.391 nan 8.290 nan 0.000 0.560 98 T N -3.958 110.660 114.554 0.108 0.000 2.831 98 T HA 0.819 5.291 4.350 0.202 0.000 0.287 98 T C 1.299 176.091 174.700 0.153 0.000 1.070 98 T CA 0.560 62.749 62.100 0.148 0.000 1.010 98 T CB 1.494 70.424 68.868 0.103 0.000 1.264 98 T HN 2.125 nan 8.240 nan 0.000 0.532 99 A N -0.143 122.799 122.820 0.202 0.000 2.066 99 A HA 0.094 4.535 4.320 0.202 0.000 0.218 99 A C 1.617 179.269 177.584 0.113 0.000 1.157 99 A CA 1.259 53.403 52.037 0.179 0.000 0.670 99 A CB -0.849 18.308 19.000 0.263 0.000 0.804 99 A HN 0.797 nan 8.150 nan 0.000 0.453 100 D N -1.710 118.742 120.400 0.087 0.000 2.346 100 D HA 0.062 4.823 4.640 0.202 0.000 0.206 100 D C 1.175 177.501 176.300 0.044 0.000 1.001 100 D CA 1.223 55.255 54.000 0.053 0.000 0.871 100 D CB 0.339 41.157 40.800 0.030 0.000 0.943 100 D HN 0.340 nan 8.370 nan 0.000 0.518 101 T N -0.305 114.280 114.554 0.052 0.000 2.975 101 T HA 0.088 4.560 4.350 0.202 0.000 0.261 101 T C 0.727 175.457 174.700 0.049 0.000 0.984 101 T CA -0.455 61.671 62.100 0.043 0.000 0.911 101 T CB 1.047 69.936 68.868 0.036 0.000 1.127 101 T HN 0.164 nan 8.240 nan 0.000 0.514 102 R N 1.654 122.192 120.500 0.063 0.000 2.694 102 R HA 0.656 5.117 4.340 0.202 0.000 0.268 102 R C 0.071 176.406 176.300 0.059 0.000 1.061 102 R CA -0.423 55.717 56.100 0.065 0.000 1.133 102 R CB 0.298 30.646 30.300 0.080 0.000 1.020 102 R HN 0.060 nan 8.270 nan 0.000 0.475 103 A N 2.748 125.602 122.820 0.056 0.000 2.520 103 A HA 0.121 4.563 4.320 0.202 0.000 0.245 103 A C 0.018 177.638 177.584 0.060 0.000 1.072 103 A CA -0.207 51.861 52.037 0.051 0.000 0.761 103 A CB 0.023 19.051 19.000 0.046 0.000 1.004 103 A HN 0.779 nan 8.150 nan 0.000 0.499 104 T N 5.613 120.204 114.554 0.063 0.000 2.933 104 T HA 0.265 4.737 4.350 0.202 0.000 0.306 104 T C -1.565 173.182 174.700 0.079 0.000 1.045 104 T CA -0.041 62.109 62.100 0.084 0.000 1.143 104 T CB -0.178 68.751 68.868 0.102 0.000 1.003 104 T HN 0.687 nan 8.240 nan 0.000 0.540 105 P HA 0.095 nan 4.420 nan 0.000 0.270 105 P C 0.512 177.825 177.300 0.021 0.000 1.223 105 P CA -0.232 62.891 63.100 0.038 0.000 0.785 105 P CB 1.042 32.769 31.700 0.045 0.000 0.923 106 E N 0.448 120.581 120.200 -0.112 0.000 2.244 106 E HA -0.081 4.390 4.350 0.202 0.000 0.196 106 E C 0.959 177.494 176.600 -0.109 0.000 0.939 106 E CA 0.146 56.452 56.400 -0.157 0.000 0.884 106 E CB 0.053 29.543 29.700 -0.350 0.000 0.850 106 E HN 0.469 nan 8.360 nan 0.000 0.481 107 H N -0.185 118.907 119.070 0.037 0.000 2.539 107 H HA 0.185 4.863 4.556 0.204 0.000 0.269 107 H C 0.212 175.430 175.328 -0.184 0.000 0.980 107 H CA 0.900 56.925 56.048 -0.039 0.000 1.152 107 H CB 0.798 30.538 29.762 -0.036 0.000 1.407 107 H HN 0.040 nan 8.280 nan 0.000 0.564 108 T N 0.602 115.059 114.554 -0.163 0.000 2.889 108 T HA 0.206 4.678 4.350 0.202 0.000 0.315 108 T C -2.353 171.939 174.700 -0.681 0.000 1.291 108 T CA -1.538 60.300 62.100 -0.436 0.000 1.028 108 T CB 2.495 71.280 68.868 -0.138 0.000 1.235 108 T HN -0.135 nan 8.240 nan 0.000 0.491 109 P HA 0.290 nan 4.420 nan 0.000 0.255 109 P C -0.320 176.906 177.300 -0.123 0.000 1.248 109 P CA 0.239 62.983 63.100 -0.592 0.000 0.807 109 P CB 0.444 31.670 31.700 -0.790 0.000 1.150 110 E N 1.476 121.616 120.200 -0.102 0.000 2.402 110 E HA 0.299 4.770 4.350 0.202 0.000 0.244 110 E C -2.475 174.149 176.600 0.040 0.000 0.945 110 E CA -2.030 54.372 56.400 0.004 0.000 0.774 110 E CB 2.277 31.980 29.700 0.006 0.000 1.296 110 E HN 0.267 nan 8.360 nan 0.000 0.414 111 P HA 0.010 nan 4.420 nan 0.000 0.286 111 P C -0.066 177.252 177.300 0.031 0.000 1.293 111 P CA -0.362 62.776 63.100 0.063 0.000 0.770 111 P CB 0.740 32.482 31.700 0.070 0.000 1.206 112 D N -1.081 119.322 120.400 0.005 0.000 2.363 112 D HA 0.345 5.106 4.640 0.202 0.000 0.240 112 D C -0.620 175.668 176.300 -0.020 0.000 1.236 112 D CA -0.381 53.598 54.000 -0.034 0.000 0.927 112 D CB 0.028 40.794 40.800 -0.056 0.000 1.150 112 D HN 0.513 nan 8.370 nan 0.000 0.458 113 A N 0.140 122.933 122.820 -0.046 0.000 2.539 113 A HA 0.583 5.024 4.320 0.202 0.000 0.296 113 A C -0.674 176.805 177.584 -0.176 0.000 1.073 113 A CA -0.931 51.060 52.037 -0.077 0.000 0.700 113 A CB 1.255 20.241 19.000 -0.024 0.000 1.296 113 A HN 0.533 nan 8.150 nan 0.000 0.405 114 I N 1.087 121.460 120.570 -0.328 0.000 2.328 114 I HA 0.361 4.653 4.170 0.202 0.000 0.287 114 I C -0.735 175.234 176.117 -0.246 0.000 1.012 114 I CA -0.169 60.817 61.300 -0.524 0.000 1.195 114 I CB 1.227 38.416 38.000 -1.351 0.000 1.350 114 I HN 0.573 nan 8.210 nan 0.000 0.464 115 C N 9.512 128.724 119.300 -0.146 0.000 3.123 115 C HA 0.380 4.962 4.460 0.202 0.000 0.284 115 C C -2.356 172.578 174.990 -0.093 0.000 1.076 115 C CA -1.629 57.400 59.018 0.018 0.000 1.416 115 C CB 0.624 28.374 27.740 0.017 0.000 1.841 115 C HN 0.498 nan 8.230 nan 0.000 0.501 116 P HA -0.032 nan 4.420 nan 0.000 0.266 116 P C 0.578 177.718 177.300 -0.266 0.000 1.193 116 P CA 0.760 63.666 63.100 -0.324 0.000 0.770 116 P CB 0.693 32.099 31.700 -0.490 0.000 0.836 117 Q N 1.616 121.330 119.800 -0.142 0.000 2.197 117 Q HA -0.239 4.223 4.340 0.202 0.000 0.207 117 Q C 1.927 177.906 176.000 -0.035 0.000 0.984 117 Q CA 1.560 57.319 55.803 -0.074 0.000 0.869 117 Q CB -0.269 28.433 28.738 -0.060 0.000 0.906 117 Q HN 0.591 nan 8.270 nan 0.000 0.426 118 H N -2.665 116.298 119.070 -0.180 0.000 2.545 118 H HA -0.116 4.562 4.556 0.202 0.000 0.282 118 H C 0.737 176.108 175.328 0.072 0.000 1.020 118 H CA 0.733 56.719 56.048 -0.103 0.000 1.243 118 H CB -0.298 29.362 29.762 -0.171 0.000 1.377 118 H HN 0.408 nan 8.280 nan 0.000 0.581 119 W N 0.318 121.375 121.300 -0.404 0.000 2.735 119 W HA 0.160 4.941 4.660 0.202 0.000 0.264 119 W C 2.126 178.535 176.519 -0.184 0.000 1.233 119 W CA -0.474 56.691 57.345 -0.301 0.000 1.408 119 W CB -0.725 28.527 29.460 -0.347 0.000 1.038 119 W HN 0.184 nan 8.180 nan 0.000 0.603 120 L N 1.538 122.790 121.223 0.048 0.000 2.005 120 L HA -0.002 4.460 4.340 0.202 0.000 0.207 120 L C 2.447 179.306 176.870 -0.019 0.000 1.072 120 L CA 2.764 57.590 54.840 -0.022 0.000 0.744 120 L CB -1.377 40.651 42.059 -0.051 0.000 0.895 120 L HN -0.107 nan 8.230 nan 0.000 0.433 121 A N 0.163 122.985 122.820 0.004 0.000 1.884 121 A HA -0.201 4.240 4.320 0.202 0.000 0.219 121 A C 0.198 177.793 177.584 0.017 0.000 1.197 121 A CA 2.444 54.489 52.037 0.014 0.000 0.637 121 A CB -2.249 16.767 19.000 0.026 0.000 0.827 121 A HN 0.455 nan 8.150 nan 0.000 0.450 122 P HA -0.127 nan 4.420 nan 0.000 0.215 122 P C 1.547 178.850 177.300 0.006 0.000 1.153 122 P CA 0.783 63.899 63.100 0.027 0.000 0.853 122 P CB -0.058 31.669 31.700 0.044 0.000 0.788 123 L N -1.090 120.128 121.223 -0.010 0.000 2.017 123 L HA -0.141 4.321 4.340 0.202 0.000 0.208 123 L C 2.270 179.123 176.870 -0.028 0.000 1.073 123 L CA 1.804 56.624 54.840 -0.033 0.000 0.745 123 L CB -1.296 40.722 42.059 -0.068 0.000 0.894 123 L HN -0.096 nan 8.230 nan 0.000 0.432 124 L N -1.592 119.612 121.223 -0.032 0.000 2.156 124 L HA -0.117 4.344 4.340 0.202 0.000 0.208 124 L C 2.589 179.466 176.870 0.011 0.000 1.095 124 L CA 0.869 55.704 54.840 -0.009 0.000 0.770 124 L CB -0.917 41.142 42.059 0.001 0.000 0.914 124 L HN 0.284 nan 8.230 nan 0.000 0.439 125 A N 0.084 122.910 122.820 0.010 0.000 1.877 125 A HA -0.256 4.186 4.320 0.202 0.000 0.216 125 A C 2.293 179.887 177.584 0.017 0.000 1.186 125 A CA 1.822 53.868 52.037 0.015 0.000 0.620 125 A CB -0.506 18.503 19.000 0.015 0.000 0.822 125 A HN 0.437 nan 8.150 nan 0.000 0.443 126 E N -0.342 119.866 120.200 0.014 0.000 2.153 126 E HA -0.111 4.360 4.350 0.202 0.000 0.194 126 E C 2.061 178.676 176.600 0.026 0.000 0.988 126 E CA 0.886 57.295 56.400 0.015 0.000 0.811 126 E CB -0.174 29.531 29.700 0.008 0.000 0.746 126 E HN 0.562 nan 8.360 nan 0.000 0.466 127 A N 0.202 123.042 122.820 0.032 0.000 1.970 127 A HA -0.048 4.394 4.320 0.202 0.000 0.216 127 A C 2.264 179.882 177.584 0.058 0.000 1.170 127 A CA 0.742 52.812 52.037 0.056 0.000 0.645 127 A CB -0.153 18.891 19.000 0.074 0.000 0.816 127 A HN 0.192 nan 8.150 nan 0.000 0.447 128 V N -0.859 119.082 119.914 0.045 0.000 2.591 128 V HA 0.189 4.430 4.120 0.202 0.000 0.249 128 V C 1.907 178.031 176.094 0.050 0.000 1.053 128 V CA 1.111 63.444 62.300 0.056 0.000 1.068 128 V CB -1.442 30.410 31.823 0.048 0.000 0.689 128 V HN 1.031 nan 8.190 nan 0.000 0.462 129 G N 0.376 109.195 108.800 0.031 0.000 2.547 129 G HA2 -0.389 3.692 3.960 0.202 0.000 0.271 129 G HA3 -0.389 3.692 3.960 0.202 0.000 0.271 129 G C 0.963 175.867 174.900 0.007 0.000 1.209 129 G CA 0.447 45.557 45.100 0.018 0.000 0.959 129 G HN 0.301 nan 8.290 nan 0.000 0.563 130 E N 0.785 120.982 120.200 -0.006 0.000 2.209 130 E HA -0.154 4.318 4.350 0.202 0.000 0.196 130 E C 2.582 179.164 176.600 -0.031 0.000 0.993 130 E CA 1.406 57.796 56.400 -0.017 0.000 0.819 130 E CB -0.225 29.460 29.700 -0.024 0.000 0.745 130 E HN 0.486 nan 8.360 nan 0.000 0.477 131 R N 0.289 120.763 120.500 -0.043 0.000 2.200 131 R HA -0.100 4.361 4.340 0.202 0.000 0.234 131 R C 1.096 177.384 176.300 -0.019 0.000 1.127 131 R CA 0.231 56.284 56.100 -0.079 0.000 0.989 131 R CB -0.786 29.432 30.300 -0.136 0.000 0.869 131 R HN 0.131 nan 8.270 nan 0.000 0.459 132 L N 1.731 122.958 121.223 0.006 0.000 2.305 132 L HA 0.246 4.707 4.340 0.202 0.000 0.281 132 L C -0.479 176.395 176.870 0.006 0.000 1.085 132 L CA -0.116 54.734 54.840 0.016 0.000 0.813 132 L CB 0.991 43.062 42.059 0.021 0.000 1.157 132 L HN -0.199 nan 8.230 nan 0.000 0.436 133 R N 3.709 124.213 120.500 0.007 0.000 2.358 133 R HA 0.368 4.829 4.340 0.202 0.000 0.309 133 R C -0.335 175.970 176.300 0.008 0.000 1.026 133 R CA -0.370 55.733 56.100 0.005 0.000 0.909 133 R CB 0.771 31.072 30.300 0.002 0.000 1.153 133 R HN 0.881 nan 8.270 nan 0.000 0.515 134 T N -0.522 114.037 114.554 0.008 0.000 2.788 134 T HA 0.269 4.740 4.350 0.202 0.000 0.280 134 T C 0.664 175.370 174.700 0.010 0.000 0.984 134 T CA -0.696 61.410 62.100 0.010 0.000 0.972 134 T CB 0.897 69.772 68.868 0.011 0.000 1.039 134 T HN 0.533 nan 8.240 nan 0.000 0.530 135 R N -0.703 119.803 120.500 0.011 0.000 3.627 135 R HA -0.131 4.330 4.340 0.202 0.000 0.281 135 R C -0.667 175.640 176.300 0.011 0.000 1.140 135 R CA 0.574 56.681 56.100 0.010 0.000 0.761 135 R CB -2.817 27.488 30.300 0.009 0.000 1.181 135 R HN 0.749 nan 8.270 nan 0.000 0.472 136 S N 0.570 116.277 115.700 0.012 0.000 2.640 136 S HA 0.400 4.992 4.470 0.202 0.000 0.320 136 S C 0.043 174.654 174.600 0.017 0.000 1.097 136 S CA -0.864 57.344 58.200 0.014 0.000 1.092 136 S CB 2.555 65.763 63.200 0.013 0.000 0.988 136 S HN 0.217 nan 8.310 nan 0.000 0.470 137 R N 3.485 123.997 120.500 0.020 0.000 2.338 137 R HA 0.440 4.901 4.340 0.202 0.000 0.317 137 R C -0.972 175.347 176.300 0.032 0.000 0.968 137 R CA -0.648 55.466 56.100 0.024 0.000 0.849 137 R CB 0.734 31.047 30.300 0.021 0.000 1.128 137 R HN 0.697 nan 8.270 nan 0.000 0.448 138 L N 4.914 126.160 121.223 0.039 0.000 2.331 138 L HA 0.181 4.642 4.340 0.202 0.000 0.278 138 L C 0.221 177.130 176.870 0.065 0.000 1.106 138 L CA -0.045 54.829 54.840 0.057 0.000 0.824 138 L CB 0.965 43.062 42.059 0.063 0.000 1.142 138 L HN 0.736 nan 8.230 nan 0.000 0.443 139 D N 1.756 122.196 120.400 0.067 0.000 2.394 139 D HA 0.087 4.848 4.640 0.202 0.000 0.226 139 D C 0.176 176.515 176.300 0.064 0.000 0.990 139 D CA 0.802 54.835 54.000 0.055 0.000 0.902 139 D CB 0.616 41.437 40.800 0.035 0.000 1.038 139 D HN 0.616 nan 8.370 nan 0.000 0.499 140 S N -0.427 115.324 115.700 0.086 0.000 2.643 140 S HA 0.655 5.246 4.470 0.202 0.000 0.270 140 S C -1.244 173.450 174.600 0.156 0.000 1.166 140 S CA -1.070 57.164 58.200 0.056 0.000 0.815 140 S CB 1.853 65.029 63.200 -0.039 0.000 1.139 140 S HN 0.146 nan 8.310 nan 0.000 0.472 141 F N -1.187 118.758 119.950 -0.008 0.000 2.678 141 F HA 0.873 5.522 4.527 0.203 0.000 0.308 141 F C -1.157 174.623 175.800 -0.034 0.000 1.118 141 F CA -0.701 57.291 58.000 -0.014 0.000 0.959 141 F CB 1.518 40.513 39.000 -0.008 0.000 1.305 141 F HN 0.909 nan 8.300 nan 0.000 0.443 142 E N 1.882 122.117 120.200 0.060 0.000 2.275 142 E HA 0.298 4.769 4.350 0.202 0.000 0.270 142 E C -1.714 174.901 176.600 0.025 0.000 0.882 142 E CA -0.718 55.645 56.400 -0.063 0.000 0.758 142 E CB 2.129 31.763 29.700 -0.109 0.000 1.195 142 E HN 0.834 nan 8.360 nan 0.000 0.419 143 Q N 3.086 122.900 119.800 0.023 0.000 2.261 143 Q HA 0.339 4.800 4.340 0.202 0.000 0.252 143 Q C -0.155 175.750 176.000 -0.158 0.000 0.915 143 Q CA -0.593 55.187 55.803 -0.039 0.000 0.915 143 Q CB 1.273 30.020 28.738 0.014 0.000 1.204 143 Q HN 0.285 nan 8.270 nan 0.000 0.421 144 R N 1.080 121.399 120.500 -0.303 0.000 2.981 144 R HA 0.229 4.690 4.340 0.202 0.000 0.228 144 R C 0.403 176.577 176.300 -0.211 0.000 1.421 144 R CA -0.696 55.202 56.100 -0.337 0.000 1.073 144 R CB 0.137 30.008 30.300 -0.715 0.000 1.568 144 R HN 0.605 nan 8.270 nan 0.000 0.514 145 D N 0.592 120.913 120.400 -0.131 0.000 2.277 145 D HA -0.078 4.683 4.640 0.202 0.000 0.208 145 D C 0.516 176.796 176.300 -0.034 0.000 0.962 145 D CA 1.211 55.176 54.000 -0.060 0.000 0.865 145 D CB 0.250 41.035 40.800 -0.025 0.000 0.939 145 D HN 0.505 nan 8.370 nan 0.000 0.510 146 D N -1.013 119.392 120.400 0.010 0.000 2.539 146 D HA -0.040 4.722 4.640 0.202 0.000 0.232 146 D C 0.633 176.982 176.300 0.081 0.000 1.256 146 D CA -0.095 53.931 54.000 0.042 0.000 0.810 146 D CB 0.164 41.007 40.800 0.072 0.000 1.090 146 D HN 0.302 nan 8.370 nan 0.000 0.519 147 H N -2.083 116.910 119.070 -0.130 0.000 2.917 147 H HA 0.625 5.302 4.556 0.202 0.000 0.269 147 H C -1.742 173.524 175.328 -0.103 0.000 1.488 147 H CA -0.743 55.218 56.048 -0.144 0.000 1.173 147 H CB 0.924 30.621 29.762 -0.110 0.000 1.868 147 H HN -0.180 nan 8.280 nan 0.000 0.600 148 V N 1.009 120.889 119.914 -0.058 0.000 2.760 148 V HA 0.501 4.742 4.120 0.202 0.000 0.309 148 V C -0.065 176.043 176.094 0.024 0.000 1.077 148 V CA -0.814 61.447 62.300 -0.065 0.000 0.910 148 V CB 2.016 33.845 31.823 0.010 0.000 1.008 148 V HN 0.599 nan 8.190 nan 0.000 0.424 149 R N 2.057 122.550 120.500 -0.011 0.000 2.532 149 R HA 0.879 5.341 4.340 0.202 0.000 0.295 149 R C -0.515 175.868 176.300 0.138 0.000 0.968 149 R CA -0.387 55.737 56.100 0.041 0.000 0.916 149 R CB 2.074 32.323 30.300 -0.084 0.000 1.124 149 R HN 0.898 nan 8.270 nan 0.000 0.463 150 A N 1.343 124.266 122.820 0.172 0.000 2.475 150 A HA 0.554 4.995 4.320 0.202 0.000 0.301 150 A C -0.942 176.720 177.584 0.130 0.000 1.059 150 A CA -0.641 51.494 52.037 0.163 0.000 0.710 150 A CB 2.090 21.179 19.000 0.149 0.000 1.288 150 A HN 0.551 nan 8.150 nan 0.000 0.408 151 T N 3.208 117.824 114.554 0.103 0.000 2.772 151 T HA 0.512 4.984 4.350 0.202 0.000 0.288 151 T C -0.272 174.465 174.700 0.063 0.000 0.994 151 T CA -0.158 61.986 62.100 0.074 0.000 0.951 151 T CB 0.177 69.078 68.868 0.054 0.000 0.933 151 T HN 0.412 nan 8.240 nan 0.000 0.447 152 I N 3.194 123.794 120.570 0.051 0.000 2.412 152 I HA 0.369 4.661 4.170 0.202 0.000 0.296 152 I C 0.533 176.667 176.117 0.029 0.000 0.987 152 I CA -0.674 60.650 61.300 0.040 0.000 1.180 152 I CB 1.497 39.518 38.000 0.034 0.000 1.340 152 I HN 0.486 nan 8.210 nan 0.000 0.455 153 T N 4.027 118.596 114.554 0.025 0.000 2.770 153 T HA 0.141 4.613 4.350 0.202 0.000 0.283 153 T C -0.117 174.592 174.700 0.015 0.000 0.988 153 T CA -0.452 61.659 62.100 0.019 0.000 0.957 153 T CB 1.126 70.005 68.868 0.018 0.000 0.930 153 T HN 0.429 nan 8.240 nan 0.000 0.443 154 D N 3.529 123.936 120.400 0.012 0.000 2.342 154 D HA 0.075 4.836 4.640 0.202 0.000 0.260 154 D C 1.119 177.424 176.300 0.009 0.000 1.278 154 D CA -0.198 53.808 54.000 0.009 0.000 0.910 154 D CB 0.638 41.442 40.800 0.006 0.000 1.079 154 D HN 0.488 nan 8.370 nan 0.000 0.496 155 L N 3.670 124.899 121.223 0.010 0.000 2.362 155 L HA -0.064 4.398 4.340 0.202 0.000 0.219 155 L C 2.503 179.378 176.870 0.008 0.000 1.134 155 L CA 0.421 55.266 54.840 0.009 0.000 0.807 155 L CB -0.175 41.890 42.059 0.010 0.000 0.927 155 L HN 0.386 nan 8.230 nan 0.000 0.447 156 R N 0.222 120.727 120.500 0.007 0.000 2.075 156 R HA -0.105 4.356 4.340 0.202 0.000 0.226 156 R C 2.062 178.366 176.300 0.005 0.000 1.114 156 R CA 1.840 57.943 56.100 0.006 0.000 0.972 156 R CB 0.073 30.376 30.300 0.006 0.000 0.869 156 R HN 0.399 nan 8.270 nan 0.000 0.437 157 T N -4.634 109.923 114.554 0.005 0.000 3.010 157 T HA 0.241 4.712 4.350 0.202 0.000 0.257 157 T C 1.176 175.879 174.700 0.004 0.000 1.020 157 T CA 0.531 62.634 62.100 0.004 0.000 0.938 157 T CB 1.011 69.880 68.868 0.003 0.000 1.049 157 T HN 0.371 nan 8.240 nan 0.000 0.522 158 G N 1.599 110.403 108.800 0.006 0.000 2.184 158 G HA2 -0.111 3.970 3.960 0.202 0.000 0.264 158 G HA3 -0.111 3.970 3.960 0.202 0.000 0.264 158 G C 0.437 175.341 174.900 0.006 0.000 0.975 158 G CA 0.055 45.159 45.100 0.006 0.000 0.642 158 G HN 1.250 nan 8.290 nan 0.000 0.536 159 A N -0.015 122.809 122.820 0.006 0.000 2.366 159 A HA 0.749 5.191 4.320 0.202 0.000 0.249 159 A C 0.815 178.403 177.584 0.008 0.000 1.084 159 A CA 1.331 53.371 52.037 0.005 0.000 0.794 159 A CB 0.428 19.430 19.000 0.003 0.000 1.034 159 A HN 1.924 nan 8.150 nan 0.000 0.491 160 T N -0.615 113.944 114.554 0.008 0.000 2.893 160 T HA 0.751 5.223 4.350 0.202 0.000 0.291 160 T C -0.531 174.176 174.700 0.012 0.000 1.028 160 T CA -0.783 61.325 62.100 0.013 0.000 0.995 160 T CB 1.525 70.403 68.868 0.016 0.000 1.051 160 T HN 0.911 nan 8.240 nan 0.000 0.470 161 R N 0.553 121.063 120.500 0.016 0.000 2.799 161 R HA 0.777 5.239 4.340 0.202 0.000 0.270 161 R C -1.548 174.768 176.300 0.027 0.000 1.010 161 R CA -0.848 55.259 56.100 0.012 0.000 0.916 161 R CB 2.079 32.379 30.300 0.000 0.000 1.228 161 R HN 1.001 nan 8.270 nan 0.000 0.469 162 A N 1.804 124.637 122.820 0.021 0.000 2.337 162 A HA 0.677 5.118 4.320 0.202 0.000 0.329 162 A C -1.203 176.399 177.584 0.030 0.000 1.146 162 A CA -0.568 51.506 52.037 0.061 0.000 0.800 162 A CB 1.646 20.709 19.000 0.105 0.000 1.220 162 A HN 0.341 nan 8.150 nan 0.000 0.472 163 V N 2.741 122.730 119.914 0.124 0.000 2.588 163 V HA 0.363 4.604 4.120 0.202 0.000 0.304 163 V C -0.695 175.590 176.094 0.318 0.000 1.042 163 V CA -0.461 61.907 62.300 0.112 0.000 0.877 163 V CB 1.633 33.505 31.823 0.081 0.000 0.996 163 V HN 0.965 nan 8.190 nan 0.000 0.425 164 H N 3.274 122.374 119.070 0.049 0.000 2.718 164 H HA 0.710 5.387 4.556 0.202 0.000 0.295 164 H C -0.005 175.353 175.328 0.051 0.000 1.051 164 H CA -0.413 55.685 56.048 0.084 0.000 1.260 164 H CB 1.627 31.405 29.762 0.027 0.000 1.403 164 H HN 0.795 nan 8.280 nan 0.000 0.488 165 A N 2.569 125.496 122.820 0.179 0.000 2.337 165 A HA 0.327 4.768 4.320 0.202 0.000 0.331 165 A C 1.061 178.678 177.584 0.055 0.000 1.137 165 A CA -0.870 51.227 52.037 0.100 0.000 0.807 165 A CB 1.234 20.287 19.000 0.089 0.000 1.250 165 A HN 0.826 nan 8.150 nan 0.000 0.468 166 R N -0.679 119.814 120.500 -0.012 0.000 2.148 166 R HA 0.001 4.463 4.340 0.202 0.000 0.223 166 R C -0.836 175.151 176.300 -0.522 0.000 1.088 166 R CA 1.256 57.226 56.100 -0.216 0.000 0.985 166 R CB -0.116 30.071 30.300 -0.189 0.000 0.880 166 R HN 0.680 nan 8.270 nan 0.000 0.451 167 Y N -0.837 119.491 120.300 0.048 0.000 2.513 167 Y HA 0.366 5.039 4.550 0.205 0.000 0.340 167 Y C -0.776 175.137 175.900 0.022 0.000 1.055 167 Y CA -0.892 57.238 58.100 0.050 0.000 1.020 167 Y CB 1.793 40.258 38.460 0.008 0.000 1.301 167 Y HN -0.169 nan 8.280 nan 0.000 0.453 168 L N 4.008 125.339 121.223 0.181 0.000 2.325 168 L HA 0.780 5.241 4.340 0.202 0.000 0.281 168 L C -1.601 175.299 176.870 0.051 0.000 1.004 168 L CA -0.930 53.935 54.840 0.042 0.000 0.823 168 L CB 0.980 42.978 42.059 -0.102 0.000 1.236 168 L HN 0.514 nan 8.230 nan 0.000 0.415 169 V N 4.826 124.744 119.914 0.006 0.000 2.357 169 V HA 0.480 4.721 4.120 0.202 0.000 0.284 169 V C 0.434 176.495 176.094 -0.054 0.000 1.018 169 V CA -0.555 61.737 62.300 -0.015 0.000 0.841 169 V CB 1.457 33.225 31.823 -0.092 0.000 0.991 169 V HN 0.860 nan 8.190 nan 0.000 0.437 170 A N 4.028 126.809 122.820 -0.066 0.000 2.269 170 A HA 0.447 4.889 4.320 0.202 0.000 0.302 170 A C 0.271 177.809 177.584 -0.077 0.000 1.266 170 A CA -0.236 51.751 52.037 -0.084 0.000 0.894 170 A CB 0.048 18.982 19.000 -0.110 0.000 1.147 170 A HN 0.919 nan 8.150 nan 0.000 0.537 171 C N 2.790 122.051 119.300 -0.064 0.000 2.667 171 C HA 0.229 4.811 4.460 0.202 0.000 0.261 171 C C 0.683 175.646 174.990 -0.046 0.000 1.590 171 C CA -0.589 58.392 59.018 -0.062 0.000 1.668 171 C CB -1.251 26.458 27.740 -0.051 0.000 2.962 171 C HN 0.872 nan 8.230 nan 0.000 0.525 172 D N 0.138 120.510 120.400 -0.047 0.000 2.370 172 D HA 0.367 5.128 4.640 0.202 0.000 0.230 172 D C 1.028 177.314 176.300 -0.024 0.000 1.143 172 D CA 0.568 54.551 54.000 -0.028 0.000 0.834 172 D CB -0.089 40.700 40.800 -0.019 0.000 0.944 172 D HN 0.597 nan 8.370 nan 0.000 0.504 173 G N -0.295 108.485 108.800 -0.034 0.000 2.757 173 G HA2 -0.021 4.060 3.960 0.202 0.000 0.638 173 G HA3 -0.021 4.060 3.960 0.202 0.000 0.638 173 G C 0.870 175.756 174.900 -0.023 0.000 1.344 173 G CA 0.168 45.254 45.100 -0.023 0.000 0.855 173 G HN 0.620 nan 8.290 nan 0.000 0.537 174 A N -0.442 122.377 122.820 -0.002 0.000 1.940 174 A HA 0.184 4.625 4.320 0.202 0.000 0.219 174 A C 2.493 180.087 177.584 0.016 0.000 1.176 174 A CA 3.129 55.174 52.037 0.013 0.000 0.631 174 A CB -0.676 18.351 19.000 0.045 0.000 0.814 174 A HN 2.351 nan 8.150 nan 0.000 0.446 175 S N -0.185 115.525 115.700 0.016 0.000 2.685 175 S HA 0.245 4.837 4.470 0.202 0.000 0.240 175 S C 0.566 175.173 174.600 0.012 0.000 0.967 175 S CA 0.370 58.582 58.200 0.019 0.000 1.009 175 S CB -0.781 62.430 63.200 0.018 0.000 0.776 175 S HN 0.489 nan 8.310 nan 0.000 0.467 176 S N 3.197 118.896 115.700 -0.001 0.000 3.631 176 S HA 0.022 4.614 4.470 0.202 0.000 0.431 176 S C -1.313 173.295 174.600 0.014 0.000 1.132 176 S CA -0.679 57.518 58.200 -0.006 0.000 1.188 176 S CB 0.147 63.328 63.200 -0.032 0.000 0.805 176 S HN 0.298 nan 8.310 nan 0.000 0.526 177 P HA -0.046 nan 4.420 nan 0.000 0.218 177 P C 1.521 178.871 177.300 0.082 0.000 1.149 177 P CA 1.019 64.149 63.100 0.050 0.000 0.817 177 P CB -0.021 31.712 31.700 0.056 0.000 0.785 178 T N -0.681 113.920 114.554 0.078 0.000 2.708 178 T HA -0.189 4.283 4.350 0.202 0.000 0.266 178 T C 1.858 176.607 174.700 0.081 0.000 1.037 178 T CA 1.207 63.371 62.100 0.107 0.000 1.146 178 T CB -0.511 68.335 68.868 -0.037 0.000 0.865 178 T HN 0.129 nan 8.240 nan 0.000 0.435 179 R N 1.244 121.758 120.500 0.022 0.000 2.094 179 R HA -0.150 4.311 4.340 0.202 0.000 0.239 179 R C 2.386 178.708 176.300 0.037 0.000 1.137 179 R CA 1.738 57.844 56.100 0.011 0.000 0.943 179 R CB -0.145 30.145 30.300 -0.015 0.000 0.850 179 R HN 0.336 nan 8.270 nan 0.000 0.433 180 K N -0.223 120.201 120.400 0.039 0.000 2.032 180 K HA -0.146 4.296 4.320 0.202 0.000 0.209 180 K C 2.091 178.720 176.600 0.048 0.000 1.048 180 K CA 1.648 57.958 56.287 0.038 0.000 0.927 180 K CB -0.240 32.280 32.500 0.034 0.000 0.712 180 K HN 0.278 nan 8.250 nan 0.000 0.441 181 A N 1.001 123.867 122.820 0.076 0.000 2.019 181 A HA -0.103 4.339 4.320 0.202 0.000 0.219 181 A C 1.899 179.538 177.584 0.092 0.000 1.164 181 A CA 1.208 53.293 52.037 0.079 0.000 0.644 181 A CB -0.455 18.629 19.000 0.139 0.000 0.805 181 A HN 0.198 nan 8.150 nan 0.000 0.449 182 L N -1.288 120.007 121.223 0.121 0.000 2.591 182 L HA 0.184 4.645 4.340 0.202 0.000 0.228 182 L C 1.590 178.489 176.870 0.048 0.000 1.133 182 L CA 0.462 55.363 54.840 0.102 0.000 0.880 182 L CB -0.229 41.884 42.059 0.090 0.000 1.033 182 L HN 0.559 nan 8.230 nan 0.000 0.450 183 G N 1.199 110.021 108.800 0.037 0.000 2.160 183 G HA2 -0.283 3.799 3.960 0.202 0.000 0.251 183 G HA3 -0.283 3.799 3.960 0.202 0.000 0.251 183 G C 0.113 175.027 174.900 0.022 0.000 1.008 183 G CA -0.059 45.055 45.100 0.023 0.000 0.724 183 G HN 0.315 nan 8.290 nan 0.000 0.514 184 I N 0.402 120.988 120.570 0.026 0.000 2.385 184 I HA 0.429 4.721 4.170 0.202 0.000 0.294 184 I C 0.091 176.225 176.117 0.028 0.000 0.988 184 I CA -0.763 60.553 61.300 0.027 0.000 1.265 184 I CB 1.495 39.511 38.000 0.027 0.000 1.388 184 I HN 0.111 nan 8.210 nan 0.000 0.480 185 D N 4.577 124.996 120.400 0.032 0.000 2.217 185 D HA 0.648 5.410 4.640 0.202 0.000 0.248 185 D C -0.820 175.507 176.300 0.044 0.000 1.008 185 D CA -0.441 53.580 54.000 0.034 0.000 0.914 185 D CB 1.859 42.677 40.800 0.030 0.000 1.182 185 D HN 0.579 nan 8.370 nan 0.000 0.451 186 A N 3.223 126.070 122.820 0.046 0.000 2.893 186 A HA 0.430 4.872 4.320 0.202 0.000 0.333 186 A C -2.584 175.034 177.584 0.058 0.000 1.152 186 A CA -1.268 50.804 52.037 0.059 0.000 0.782 186 A CB 0.695 19.728 19.000 0.054 0.000 1.108 186 A HN 0.454 nan 8.150 nan 0.000 0.469 187 P HA 0.235 nan 4.420 nan 0.000 0.267 187 P C -2.786 174.540 177.300 0.042 0.000 1.205 187 P CA -0.973 62.150 63.100 0.038 0.000 0.765 187 P CB 0.200 31.914 31.700 0.023 0.000 0.828 188 P HA 0.122 nan 4.420 nan 0.000 0.265 188 P C 1.047 178.341 177.300 -0.009 0.000 1.222 188 P CA 0.154 63.291 63.100 0.062 0.000 0.767 188 P CB 0.232 31.973 31.700 0.068 0.000 0.801 189 R N 1.999 122.469 120.500 -0.050 0.000 2.240 189 R HA 0.070 4.532 4.340 0.202 0.000 0.203 189 R C 0.455 176.317 176.300 -0.730 0.000 1.011 189 R CA 0.899 56.801 56.100 -0.328 0.000 1.007 189 R CB -0.007 30.098 30.300 -0.326 0.000 0.911 189 R HN 0.658 nan 8.270 nan 0.000 0.468 190 H N -0.903 118.091 119.070 -0.126 0.000 2.981 190 H HA 0.206 4.883 4.556 0.202 0.000 0.327 190 H C -0.642 174.662 175.328 -0.040 0.000 1.342 190 H CA -0.927 54.973 56.048 -0.246 0.000 1.123 190 H CB 1.339 30.647 29.762 -0.757 0.000 1.851 190 H HN -0.156 nan 8.280 nan 0.000 0.531 191 R N 1.025 121.599 120.500 0.124 0.000 2.585 191 R HA 0.070 4.531 4.340 0.202 0.000 0.275 191 R C -0.544 175.872 176.300 0.193 0.000 1.018 191 R CA 0.327 56.498 56.100 0.117 0.000 1.072 191 R CB 0.306 30.646 30.300 0.067 0.000 0.953 191 R HN 0.485 nan 8.270 nan 0.000 0.419 192 T N 4.792 119.416 114.554 0.118 0.000 2.884 192 T HA 0.140 4.612 4.350 0.202 0.000 0.298 192 T C -0.241 174.436 174.700 -0.040 0.000 0.998 192 T CA -0.175 61.970 62.100 0.075 0.000 1.124 192 T CB 1.075 69.945 68.868 0.003 0.000 0.931 192 T HN 0.512 nan 8.240 nan 0.000 0.531 193 Q N 1.230 120.997 119.800 -0.055 0.000 2.351 193 Q HA 0.682 5.143 4.340 0.202 0.000 0.273 193 Q C -1.119 174.652 176.000 -0.382 0.000 1.077 193 Q CA -1.076 54.593 55.803 -0.224 0.000 0.843 193 Q CB 2.306 30.942 28.738 -0.170 0.000 1.367 193 Q HN 0.363 nan 8.270 nan 0.000 0.449 194 V N 1.821 121.381 119.914 -0.590 0.000 2.495 194 V HA 0.575 4.817 4.120 0.202 0.000 0.298 194 V C -0.951 174.666 176.094 -0.796 0.000 1.031 194 V CA -0.498 61.502 62.300 -0.500 0.000 0.871 194 V CB 0.617 32.243 31.823 -0.329 0.000 0.988 194 V HN 0.561 nan 8.190 nan 0.000 0.432 195 F N 2.541 122.112 119.950 -0.633 0.000 2.629 195 F HA 0.734 5.382 4.527 0.203 0.000 0.316 195 F C 0.199 175.785 175.800 -0.356 0.000 1.081 195 F CA -0.956 56.671 58.000 -0.622 0.000 0.954 195 F CB 2.174 40.552 39.000 -1.036 0.000 1.337 195 F HN 0.217 nan 8.300 nan 0.000 0.474 196 R N 0.804 121.400 120.500 0.159 0.000 2.621 196 R HA 0.473 4.935 4.340 0.202 0.000 0.292 196 R C -1.579 174.955 176.300 0.389 0.000 0.969 196 R CA -1.041 55.209 56.100 0.250 0.000 0.887 196 R CB 1.823 32.214 30.300 0.152 0.000 1.180 196 R HN 0.487 nan 8.270 nan 0.000 0.450 197 N N 2.444 121.405 118.700 0.436 0.000 2.443 197 N HA 0.376 5.237 4.740 0.202 0.000 0.269 197 N C -1.024 174.670 175.510 0.306 0.000 0.985 197 N CA -0.393 52.896 53.050 0.399 0.000 0.921 197 N CB 1.314 40.050 38.487 0.414 0.000 1.195 197 N HN 0.402 nan 8.380 nan 0.000 0.492 198 I N 2.443 123.186 120.570 0.288 0.000 2.307 198 I HA 0.243 4.535 4.170 0.202 0.000 0.289 198 I C -0.463 175.896 176.117 0.402 0.000 1.021 198 I CA -0.919 60.546 61.300 0.275 0.000 1.224 198 I CB 0.957 39.075 38.000 0.196 0.000 1.376 198 I HN 0.189 nan 8.210 nan 0.000 0.470 199 L N 9.362 130.820 121.223 0.392 0.000 2.276 199 L HA 0.585 5.047 4.340 0.202 0.000 0.286 199 L C -0.689 176.392 176.870 0.352 0.000 1.061 199 L CA 0.142 55.177 54.840 0.324 0.000 0.807 199 L CB 0.472 42.723 42.059 0.320 0.000 1.177 199 L HN 0.464 nan 8.230 nan 0.000 0.429 200 F N 2.796 122.813 119.950 0.112 0.000 2.664 200 F HA 0.692 5.340 4.527 0.202 0.000 0.317 200 F C -0.971 174.910 175.800 0.136 0.000 1.108 200 F CA -1.270 56.798 58.000 0.113 0.000 0.957 200 F CB 1.282 40.347 39.000 0.109 0.000 1.365 200 F HN 0.451 nan 8.300 nan 0.000 0.475 201 R N 1.386 122.016 120.500 0.218 0.000 2.437 201 R HA 0.827 5.288 4.340 0.202 0.000 0.310 201 R C -1.677 174.782 176.300 0.265 0.000 0.955 201 R CA -0.876 55.300 56.100 0.125 0.000 0.851 201 R CB 1.658 32.013 30.300 0.091 0.000 1.161 201 R HN 1.093 nan 8.270 nan 0.000 0.446 202 A N 6.349 129.335 122.820 0.276 0.000 2.893 202 A HA 0.367 4.808 4.320 0.202 0.000 0.333 202 A C -2.170 175.545 177.584 0.219 0.000 1.152 202 A CA -1.470 50.727 52.037 0.266 0.000 0.782 202 A CB 1.152 20.302 19.000 0.251 0.000 1.108 202 A HN 0.644 nan 8.150 nan 0.000 0.469 203 P HA -0.213 nan 4.420 nan 0.000 0.218 203 P C 0.754 178.097 177.300 0.073 0.000 1.150 203 P CA 1.652 64.808 63.100 0.094 0.000 0.841 203 P CB 0.332 32.073 31.700 0.068 0.000 0.784 204 E N -2.272 117.961 120.200 0.054 0.000 2.526 204 E HA 0.080 4.551 4.350 0.202 0.000 0.208 204 E C 1.366 177.933 176.600 -0.054 0.000 0.997 204 E CA -0.325 56.073 56.400 -0.003 0.000 0.961 204 E CB -0.299 29.385 29.700 -0.026 0.000 1.030 204 E HN 0.082 nan 8.360 nan 0.000 0.483 205 L N 1.893 123.110 121.223 -0.009 0.000 2.042 205 L HA -0.147 4.314 4.340 0.202 0.000 0.210 205 L C 2.365 179.196 176.870 -0.065 0.000 1.076 205 L CA 1.883 56.665 54.840 -0.098 0.000 0.749 205 L CB -0.355 41.614 42.059 -0.151 0.000 0.893 205 L HN -0.002 nan 8.230 nan 0.000 0.432 206 R N -1.277 119.270 120.500 0.079 0.000 2.081 206 R HA -0.120 4.341 4.340 0.202 0.000 0.235 206 R C 2.178 178.455 176.300 -0.038 0.000 1.131 206 R CA 1.548 57.688 56.100 0.067 0.000 0.960 206 R CB -0.155 30.205 30.300 0.099 0.000 0.856 206 R HN 0.407 nan 8.270 nan 0.000 0.436 207 S N 0.696 116.358 115.700 -0.064 0.000 2.423 207 S HA -0.067 4.525 4.470 0.202 0.000 0.231 207 S C 1.774 176.283 174.600 -0.151 0.000 1.014 207 S CA 0.903 59.049 58.200 -0.089 0.000 0.965 207 S CB -0.058 63.099 63.200 -0.073 0.000 0.785 207 S HN 0.284 nan 8.310 nan 0.000 0.495 208 L N 0.654 121.710 121.223 -0.279 0.000 2.095 208 L HA 0.046 4.508 4.340 0.202 0.000 0.204 208 L C 2.155 178.793 176.870 -0.386 0.000 1.080 208 L CA 0.755 55.293 54.840 -0.503 0.000 0.759 208 L CB -0.457 40.936 42.059 -1.111 0.000 0.914 208 L HN 0.264 nan 8.230 nan 0.000 0.439 209 L N -0.518 120.555 121.223 -0.249 0.000 2.046 209 L HA -0.096 4.365 4.340 0.202 0.000 0.208 209 L C 1.764 178.656 176.870 0.037 0.000 1.077 209 L CA 0.995 55.844 54.840 0.015 0.000 0.747 209 L CB -1.079 41.053 42.059 0.122 0.000 0.896 209 L HN 0.503 nan 8.230 nan 0.000 0.432 210 G N 0.089 108.878 108.800 -0.019 0.000 2.583 210 G HA2 -0.354 3.727 3.960 0.202 0.000 0.292 210 G HA3 -0.354 3.727 3.960 0.202 0.000 0.292 210 G C 0.551 175.451 174.900 -0.000 0.000 1.203 210 G CA 0.343 45.435 45.100 -0.014 0.000 0.987 210 G HN 0.299 nan 8.290 nan 0.000 0.554 211 E N 1.434 121.642 120.200 0.014 0.000 2.533 211 E HA 0.016 4.488 4.350 0.202 0.000 0.201 211 E C 2.219 178.846 176.600 0.045 0.000 1.097 211 E CA 0.606 57.016 56.400 0.016 0.000 0.887 211 E CB -0.035 29.678 29.700 0.021 0.000 0.855 211 E HN 0.557 nan 8.360 nan 0.000 0.540 212 R N -0.290 120.259 120.500 0.083 0.000 2.508 212 R HA 0.291 4.752 4.340 0.202 0.000 0.300 212 R C 0.611 177.045 176.300 0.223 0.000 0.970 212 R CA -0.018 56.172 56.100 0.151 0.000 1.102 212 R CB 0.822 31.237 30.300 0.191 0.000 1.246 212 R HN -0.055 nan 8.270 nan 0.000 0.539 213 A N 1.287 124.184 122.820 0.128 0.000 2.448 213 A HA 0.592 5.033 4.320 0.202 0.000 0.239 213 A C 0.204 177.792 177.584 0.007 0.000 1.080 213 A CA 0.374 52.491 52.037 0.133 0.000 0.779 213 A CB 0.288 19.235 19.000 -0.088 0.000 1.026 213 A HN 0.336 nan 8.150 nan 0.000 0.499 214 A N -0.312 122.456 122.820 -0.087 0.000 2.599 214 A HA 0.584 5.026 4.320 0.202 0.000 0.290 214 A C 0.166 177.681 177.584 -0.114 0.000 1.101 214 A CA -0.001 51.875 52.037 -0.269 0.000 0.674 214 A CB 0.269 18.785 19.000 -0.807 0.000 1.277 214 A HN 1.625 nan 8.150 nan 0.000 0.419 215 L N -0.263 120.874 121.223 -0.143 0.000 2.102 215 L HA 0.481 4.942 4.340 0.202 0.000 0.202 215 L C -0.301 176.207 176.870 -0.603 0.000 1.076 215 L CA 1.647 56.312 54.840 -0.291 0.000 0.761 215 L CB -0.316 41.550 42.059 -0.323 0.000 0.921 215 L HN 0.552 nan 8.230 nan 0.000 0.444 216 F N -1.220 118.540 119.950 -0.317 0.000 2.507 216 F HA 0.434 5.082 4.527 0.202 0.000 0.325 216 F C -0.748 174.800 175.800 -0.419 0.000 1.116 216 F CA -0.617 57.199 58.000 -0.307 0.000 0.930 216 F CB 1.375 40.187 39.000 -0.313 0.000 1.146 216 F HN -0.326 nan 8.300 nan 0.000 0.447 217 F N 3.425 123.406 119.950 0.052 0.000 2.366 217 F HA 0.373 5.022 4.527 0.203 0.000 0.366 217 F C -0.572 175.197 175.800 -0.051 0.000 1.096 217 F CA -1.185 56.825 58.000 0.017 0.000 1.060 217 F CB 0.643 39.673 39.000 0.050 0.000 1.282 217 F HN 0.253 nan 8.300 nan 0.000 0.450 218 F N 4.392 124.298 119.950 -0.074 0.000 2.472 218 F HA 0.342 4.990 4.527 0.202 0.000 0.364 218 F C 0.270 176.084 175.800 0.022 0.000 1.090 218 F CA -0.121 57.772 58.000 -0.179 0.000 1.188 218 F CB 0.474 38.949 39.000 -0.875 0.000 1.105 218 F HN 0.195 nan 8.300 nan 0.000 0.536 219 L N 5.039 126.395 121.223 0.223 0.000 2.421 219 L HA 0.383 4.844 4.340 0.202 0.000 0.263 219 L C 0.258 177.249 176.870 0.202 0.000 1.122 219 L CA -0.355 54.588 54.840 0.172 0.000 0.804 219 L CB 0.903 43.017 42.059 0.092 0.000 1.150 219 L HN 0.596 nan 8.230 nan 0.000 0.457 220 M N 3.456 123.154 119.600 0.163 0.000 3.568 220 M HA 0.169 4.771 4.480 0.202 0.000 0.386 220 M C 0.151 176.562 176.300 0.185 0.000 1.765 220 M CA 0.108 55.517 55.300 0.181 0.000 0.568 220 M CB 1.102 33.848 32.600 0.243 0.000 1.428 220 M HN 0.612 nan 8.290 nan 0.000 0.493 221 L N 0.016 121.311 121.223 0.119 0.000 2.388 221 L HA 0.301 4.762 4.340 0.202 0.000 0.209 221 L C 0.727 177.690 176.870 0.154 0.000 1.061 221 L CA 0.694 55.629 54.840 0.158 0.000 0.834 221 L CB 0.571 42.657 42.059 0.045 0.000 1.029 221 L HN 0.558 nan 8.230 nan 0.000 0.473 222 S N -3.610 112.131 115.700 0.069 0.000 2.661 222 S HA 0.199 4.790 4.470 0.202 0.000 0.268 222 S C 0.448 175.047 174.600 -0.002 0.000 1.162 222 S CA -0.045 58.180 58.200 0.041 0.000 0.817 222 S CB 1.130 64.358 63.200 0.047 0.000 1.141 222 S HN -0.027 nan 8.310 nan 0.000 0.477 223 S N 1.256 116.962 115.700 0.011 0.000 2.419 223 S HA -0.091 4.501 4.470 0.202 0.000 0.233 223 S C 1.982 176.616 174.600 0.057 0.000 1.016 223 S CA 1.706 59.914 58.200 0.015 0.000 0.974 223 S CB -0.669 62.550 63.200 0.032 0.000 0.786 223 S HN 0.951 nan 8.310 nan 0.000 0.492 224 S N 0.752 116.501 115.700 0.083 0.000 2.404 224 S HA 0.178 4.770 4.470 0.202 0.000 0.223 224 S C 0.642 175.372 174.600 0.217 0.000 1.040 224 S CA 0.115 58.424 58.200 0.180 0.000 0.957 224 S CB -0.305 62.967 63.200 0.118 0.000 0.826 224 S HN 0.243 nan 8.310 nan 0.000 0.491 225 L N 3.444 124.719 121.223 0.087 0.000 2.657 225 L HA 0.450 4.911 4.340 0.202 0.000 0.239 225 L C 0.964 177.804 176.870 -0.049 0.000 1.215 225 L CA 0.027 54.911 54.840 0.073 0.000 1.161 225 L CB 0.095 42.191 42.059 0.062 0.000 1.436 225 L HN 0.454 nan 8.230 nan 0.000 0.414 226 R N -1.024 119.270 120.500 -0.342 0.000 2.668 226 R HA 0.362 4.823 4.340 0.202 0.000 0.435 226 R C -0.900 175.062 176.300 -0.564 0.000 1.059 226 R CA -0.245 55.609 56.100 -0.410 0.000 1.073 226 R CB 0.120 30.133 30.300 -0.479 0.000 1.401 226 R HN 0.052 nan 8.270 nan 0.000 0.590 227 F N 1.380 121.461 119.950 0.219 0.000 2.611 227 F HA 0.584 5.232 4.527 0.202 0.000 0.324 227 F C -2.192 173.540 175.800 -0.115 0.000 1.061 227 F CA -3.156 54.906 58.000 0.104 0.000 0.954 227 F CB 1.123 40.218 39.000 0.160 0.000 1.301 227 F HN -0.150 nan 8.300 nan 0.000 0.482 228 P HA 0.096 nan 4.420 nan 0.000 0.268 228 P C -0.967 176.350 177.300 0.029 0.000 1.204 228 P CA 0.131 63.041 63.100 -0.317 0.000 0.768 228 P CB 1.224 32.605 31.700 -0.531 0.000 0.842 229 L N 4.016 125.310 121.223 0.118 0.000 2.298 229 L HA 0.487 4.949 4.340 0.202 0.000 0.284 229 L C 0.264 177.260 176.870 0.209 0.000 1.013 229 L CA -0.850 54.121 54.840 0.217 0.000 0.824 229 L CB 0.943 43.158 42.059 0.261 0.000 1.221 229 L HN 0.347 nan 8.230 nan 0.000 0.418 230 R N 4.359 124.933 120.500 0.123 0.000 2.604 230 R HA 0.732 5.194 4.340 0.202 0.000 0.287 230 R C -0.840 175.449 176.300 -0.017 0.000 0.970 230 R CA -0.509 55.558 56.100 -0.054 0.000 0.946 230 R CB 1.775 31.947 30.300 -0.213 0.000 1.127 230 R HN 0.719 nan 8.270 nan 0.000 0.473 231 A N 5.544 128.298 122.820 -0.111 0.000 2.415 231 A HA 0.233 4.674 4.320 0.202 0.000 0.309 231 A C 0.844 178.250 177.584 -0.296 0.000 1.356 231 A CA -0.533 51.393 52.037 -0.185 0.000 0.998 231 A CB 0.062 19.045 19.000 -0.029 0.000 1.145 231 A HN 0.930 nan 8.150 nan 0.000 0.545 232 L N 1.251 122.259 121.223 -0.358 0.000 2.005 232 L HA -0.075 4.386 4.340 0.202 0.000 0.207 232 L C 1.771 178.496 176.870 -0.242 0.000 1.072 232 L CA 1.808 56.452 54.840 -0.327 0.000 0.744 232 L CB -0.074 41.780 42.059 -0.342 0.000 0.895 232 L HN 0.882 nan 8.230 nan 0.000 0.433 233 D N -1.942 118.325 120.400 -0.222 0.000 2.469 233 D HA 0.087 4.848 4.640 0.202 0.000 0.213 233 D C 1.286 177.607 176.300 0.034 0.000 1.135 233 D CA 0.487 54.434 54.000 -0.088 0.000 0.834 233 D CB 0.217 40.818 40.800 -0.332 0.000 1.009 233 D HN 0.185 nan 8.370 nan 0.000 0.507 234 G N 1.372 110.077 108.800 -0.159 0.000 2.233 234 G HA2 -0.387 3.695 3.960 0.202 0.000 0.270 234 G HA3 -0.387 3.695 3.960 0.202 0.000 0.270 234 G C 0.765 175.535 174.900 -0.218 0.000 1.011 234 G CA 0.587 45.409 45.100 -0.463 0.000 0.762 234 G HN 0.501 nan 8.290 nan 0.000 0.511 235 R N -1.336 119.066 120.500 -0.163 0.000 2.590 235 R HA 0.461 4.922 4.340 0.202 0.000 0.410 235 R C 1.510 177.764 176.300 -0.077 0.000 1.010 235 R CA 0.417 56.476 56.100 -0.067 0.000 1.155 235 R CB 0.870 31.184 30.300 0.025 0.000 1.455 235 R HN 1.026 nan 8.270 nan 0.000 0.567 236 G N 0.542 109.225 108.800 -0.194 0.000 2.367 236 G HA2 -0.165 3.916 3.960 0.202 0.000 0.181 236 G HA3 -0.165 3.916 3.960 0.202 0.000 0.181 236 G C -0.230 174.504 174.900 -0.276 0.000 1.000 236 G CA -0.720 44.308 45.100 -0.119 0.000 0.693 236 G HN 0.118 nan 8.290 nan 0.000 0.480 237 L N 1.573 122.509 121.223 -0.479 0.000 2.264 237 L HA 0.719 5.180 4.340 0.202 0.000 0.289 237 L C -0.277 176.122 176.870 -0.784 0.000 1.044 237 L CA -0.895 53.653 54.840 -0.487 0.000 0.807 237 L CB 0.798 42.635 42.059 -0.370 0.000 1.192 237 L HN 0.206 nan 8.230 nan 0.000 0.425 238 Y N 3.217 123.180 120.300 -0.562 0.000 2.633 238 Y HA 0.647 5.319 4.550 0.202 0.000 0.339 238 Y C -0.203 175.361 175.900 -0.559 0.000 1.045 238 Y CA -0.995 56.720 58.100 -0.641 0.000 1.098 238 Y CB 1.856 39.730 38.460 -0.977 0.000 1.296 238 Y HN 0.398 nan 8.280 nan 0.000 0.494 239 R N 1.933 122.416 120.500 -0.028 0.000 2.508 239 R HA 0.458 4.919 4.340 0.202 0.000 0.283 239 R C -2.346 174.119 176.300 0.275 0.000 1.120 239 R CA -0.535 55.648 56.100 0.138 0.000 0.958 239 R CB 1.454 31.746 30.300 -0.014 0.000 1.215 239 R HN 0.813 nan 8.270 nan 0.000 0.427 240 L N 4.284 125.739 121.223 0.387 0.000 2.296 240 L HA 0.511 4.972 4.340 0.202 0.000 0.286 240 L C -0.329 176.699 176.870 0.264 0.000 1.023 240 L CA -0.344 54.675 54.840 0.299 0.000 0.812 240 L CB 1.882 44.093 42.059 0.254 0.000 1.223 240 L HN 0.799 nan 8.230 nan 0.000 0.421 241 T N 2.586 117.295 114.554 0.258 0.000 2.799 241 T HA 0.601 5.072 4.350 0.202 0.000 0.286 241 T C -0.521 174.399 174.700 0.366 0.000 0.973 241 T CA -0.573 61.709 62.100 0.302 0.000 1.035 241 T CB 1.374 70.381 68.868 0.232 0.000 0.932 241 T HN 0.284 nan 8.240 nan 0.000 0.469 242 V N 3.470 123.595 119.914 0.353 0.000 2.540 242 V HA 0.732 4.974 4.120 0.202 0.000 0.302 242 V C 0.997 177.256 176.094 0.274 0.000 1.035 242 V CA -0.902 61.612 62.300 0.357 0.000 0.873 242 V CB 1.696 33.655 31.823 0.225 0.000 0.992 242 V HN 1.213 nan 8.190 nan 0.000 0.428 243 G N 2.644 111.627 108.800 0.304 0.000 2.444 243 G HA2 0.581 4.663 3.960 0.202 0.000 0.268 243 G HA3 0.581 4.663 3.960 0.202 0.000 0.268 243 G C -0.447 174.385 174.900 -0.113 0.000 1.203 243 G CA -0.272 44.737 45.100 -0.152 0.000 0.835 243 G HN 1.108 nan 8.290 nan 0.000 0.543 244 V N -0.443 119.292 119.914 -0.297 0.000 2.656 244 V HA 0.699 4.941 4.120 0.202 0.000 0.307 244 V C -0.971 175.016 176.094 -0.178 0.000 1.051 244 V CA -1.101 61.101 62.300 -0.163 0.000 0.893 244 V CB 2.013 33.758 31.823 -0.131 0.000 0.999 244 V HN 0.630 nan 8.190 nan 0.000 0.426 252 M N 1.789 121.406 119.600 0.029 0.000 2.315 252 M HA 0.634 5.236 4.480 0.202 0.000 0.213 252 M C -0.813 175.509 176.300 0.037 0.000 0.751 252 M CA -0.277 55.041 55.300 0.030 0.000 1.861 252 M CB 0.703 33.321 32.600 0.030 0.000 1.113 252 M HN 0.761 nan 8.290 nan 0.000 0.902 253 D N -0.208 120.217 120.400 0.042 0.000 2.391 253 D HA 0.341 5.102 4.640 0.202 0.000 0.245 253 D C 0.243 176.581 176.300 0.063 0.000 1.069 253 D CA -0.218 53.816 54.000 0.056 0.000 0.831 253 D CB 1.595 42.436 40.800 0.068 0.000 1.204 253 D HN 0.513 nan 8.370 nan 0.000 0.503 254 S N 2.771 118.514 115.700 0.072 0.000 2.460 254 S HA -0.286 4.305 4.470 0.202 0.000 0.241 254 S C 1.626 176.257 174.600 0.052 0.000 1.051 254 S CA 1.343 59.585 58.200 0.070 0.000 1.223 254 S CB -0.716 62.540 63.200 0.094 0.000 1.160 254 S HN 0.688 nan 8.310 nan 0.000 0.424 255 F N 2.558 122.487 119.950 -0.034 0.000 2.063 255 F HA -0.246 4.402 4.527 0.202 0.000 0.298 255 F C 2.605 178.360 175.800 -0.074 0.000 1.105 255 F CA 2.135 60.099 58.000 -0.060 0.000 1.215 255 F CB -0.391 38.589 39.000 -0.034 0.000 0.972 255 F HN 0.140 nan 8.300 nan 0.000 0.483 256 E N 0.545 120.782 120.200 0.061 0.000 2.058 256 E HA -0.215 4.257 4.350 0.202 0.000 0.194 256 E C 2.464 178.985 176.600 -0.132 0.000 0.997 256 E CA 1.525 57.903 56.400 -0.037 0.000 0.801 256 E CB -0.717 29.017 29.700 0.056 0.000 0.746 256 E HN 0.492 nan 8.360 nan 0.000 0.450 257 L N 0.136 121.307 121.223 -0.086 0.000 2.043 257 L HA -0.221 4.241 4.340 0.202 0.000 0.212 257 L C 2.542 179.310 176.870 -0.170 0.000 1.075 257 L CA 0.975 55.766 54.840 -0.081 0.000 0.752 257 L CB -0.419 41.627 42.059 -0.021 0.000 0.891 257 L HN 0.030 nan 8.230 nan 0.000 0.432 258 V N -0.976 118.758 119.914 -0.299 0.000 2.379 258 V HA -0.184 4.058 4.120 0.202 0.000 0.245 258 V C 2.626 178.431 176.094 -0.482 0.000 1.044 258 V CA 1.240 63.254 62.300 -0.478 0.000 1.036 258 V CB -0.634 30.720 31.823 -0.783 0.000 0.664 258 V HN 0.386 nan 8.190 nan 0.000 0.453 259 R N 0.239 120.412 120.500 -0.546 0.000 2.120 259 R HA -0.098 4.363 4.340 0.202 0.000 0.234 259 R C 2.422 178.562 176.300 -0.266 0.000 1.123 259 R CA 1.181 57.003 56.100 -0.463 0.000 0.975 259 R CB -0.396 29.603 30.300 -0.502 0.000 0.866 259 R HN 0.365 nan 8.270 nan 0.000 0.446 260 R N -0.250 120.125 120.500 -0.208 0.000 2.075 260 R HA 0.024 4.486 4.340 0.202 0.000 0.232 260 R C 2.010 178.223 176.300 -0.145 0.000 1.126 260 R CA 1.363 57.381 56.100 -0.137 0.000 0.963 260 R CB -0.838 29.410 30.300 -0.085 0.000 0.858 260 R HN 0.195 nan 8.270 nan 0.000 0.435 261 A N 0.574 123.299 122.820 -0.158 0.000 2.066 261 A HA 0.052 4.494 4.320 0.202 0.000 0.218 261 A C 0.728 178.200 177.584 -0.187 0.000 1.157 261 A CA 0.400 52.352 52.037 -0.142 0.000 0.670 261 A CB 0.317 19.258 19.000 -0.098 0.000 0.804 261 A HN 0.023 nan 8.150 nan 0.000 0.453 262 V N -0.225 119.559 119.914 -0.217 0.000 2.378 262 V HA 0.484 4.725 4.120 0.202 0.000 0.288 262 V C 1.211 177.172 176.094 -0.221 0.000 1.016 262 V CA -0.185 61.988 62.300 -0.210 0.000 0.840 262 V CB 0.712 32.437 31.823 -0.164 0.000 0.994 262 V HN 0.412 nan 8.190 nan 0.000 0.431 263 A N 5.051 127.676 122.820 -0.326 0.000 1.845 263 A HA 0.030 4.472 4.320 0.202 0.000 0.215 263 A C 0.845 178.274 177.584 -0.259 0.000 1.195 263 A CA 0.988 52.810 52.037 -0.358 0.000 0.616 263 A CB -0.477 18.201 19.000 -0.537 0.000 0.832 263 A HN 0.594 nan 8.150 nan 0.000 0.443 264 F N 0.720 120.601 119.950 -0.116 0.000 2.613 264 F HA 0.060 4.708 4.527 0.202 0.000 0.373 264 F C 0.683 176.443 175.800 -0.065 0.000 1.085 264 F CA 0.627 58.577 58.000 -0.083 0.000 1.309 264 F CB -0.062 38.890 39.000 -0.080 0.000 0.986 264 F HN 0.247 nan 8.300 nan 0.000 0.592 265 D N 1.738 122.243 120.400 0.175 0.000 2.468 265 D HA 0.259 5.021 4.640 0.202 0.000 0.218 265 D C -0.391 175.967 176.300 0.095 0.000 1.155 265 D CA 0.166 54.224 54.000 0.097 0.000 0.924 265 D CB 0.358 41.201 40.800 0.071 0.000 1.029 265 D HN 0.511 nan 8.370 nan 0.000 0.515 266 T N 1.737 116.345 114.554 0.090 0.000 2.843 266 T HA 0.229 4.700 4.350 0.202 0.000 0.302 266 T C -1.135 173.620 174.700 0.091 0.000 1.232 266 T CA -0.770 61.372 62.100 0.071 0.000 1.009 266 T CB 1.231 70.123 68.868 0.039 0.000 1.254 266 T HN 0.342 nan 8.240 nan 0.000 0.504 267 E N 2.071 122.326 120.200 0.091 0.000 2.480 267 E HA 0.205 4.677 4.350 0.202 0.000 0.258 267 E C -0.845 175.853 176.600 0.164 0.000 0.984 267 E CA 0.372 56.845 56.400 0.121 0.000 0.930 267 E CB 0.214 29.972 29.700 0.097 0.000 0.936 267 E HN 0.397 nan 8.360 nan 0.000 0.466 268 I N 4.699 125.399 120.570 0.218 0.000 2.468 268 I HA 0.167 4.459 4.170 0.202 0.000 0.285 268 I C -0.474 175.830 176.117 0.313 0.000 1.039 268 I CA -0.436 61.021 61.300 0.262 0.000 1.074 268 I CB 1.784 39.854 38.000 0.115 0.000 1.228 268 I HN 0.538 nan 8.210 nan 0.000 0.436 269 E N 7.038 127.414 120.200 0.292 0.000 2.101 269 E HA 0.357 4.828 4.350 0.202 0.000 0.260 269 E C -1.137 175.623 176.600 0.267 0.000 0.897 269 E CA -0.599 55.942 56.400 0.235 0.000 0.744 269 E CB 1.473 31.270 29.700 0.162 0.000 1.140 269 E HN 0.364 nan 8.360 nan 0.000 0.419 270 V N 6.092 126.164 119.914 0.262 0.000 2.655 270 V HA -0.005 4.236 4.120 0.202 0.000 0.300 270 V C 1.184 177.381 176.094 0.173 0.000 1.044 270 V CA 0.443 62.891 62.300 0.246 0.000 1.095 270 V CB 1.003 32.950 31.823 0.208 0.000 0.952 270 V HN 0.800 nan 8.190 nan 0.000 0.485 271 L N 2.957 124.279 121.223 0.165 0.000 2.609 271 L HA 0.345 4.806 4.340 0.202 0.000 0.230 271 L C 0.784 177.697 176.870 0.071 0.000 1.064 271 L CA 0.567 55.468 54.840 0.102 0.000 0.873 271 L CB 0.724 42.833 42.059 0.083 0.000 1.139 271 L HN 0.714 nan 8.230 nan 0.000 0.490 272 S N -1.035 114.712 115.700 0.078 0.000 2.552 272 S HA 0.320 4.911 4.470 0.202 0.000 0.272 272 S C -2.083 172.494 174.600 -0.038 0.000 1.150 272 S CA -0.669 57.518 58.200 -0.022 0.000 0.849 272 S CB 1.846 64.981 63.200 -0.107 0.000 1.113 272 S HN 0.085 nan 8.310 nan 0.000 0.458 273 D N 2.396 122.747 120.400 -0.082 0.000 2.378 273 D HA 0.330 5.091 4.640 0.202 0.000 0.265 273 D C -1.079 175.183 176.300 -0.063 0.000 1.229 273 D CA -0.024 53.961 54.000 -0.026 0.000 0.914 273 D CB 1.431 42.246 40.800 0.026 0.000 1.140 273 D HN 0.385 nan 8.370 nan 0.000 0.516 274 S N 2.516 118.144 115.700 -0.120 0.000 2.480 274 S HA 0.284 4.875 4.470 0.202 0.000 0.286 274 S C -0.202 174.509 174.600 0.185 0.000 1.180 274 S CA -0.585 57.591 58.200 -0.040 0.000 1.075 274 S CB 1.330 64.413 63.200 -0.195 0.000 0.996 274 S HN 0.438 nan 8.310 nan 0.000 0.487 275 E N 5.403 125.704 120.200 0.168 0.000 2.216 275 E HA 0.428 4.899 4.350 0.202 0.000 0.279 275 E C -0.837 175.940 176.600 0.295 0.000 0.997 275 E CA -0.781 55.742 56.400 0.205 0.000 0.817 275 E CB 0.671 30.431 29.700 0.101 0.000 1.096 275 E HN 0.732 nan 8.360 nan 0.000 0.393 276 W N 3.162 124.541 121.300 0.130 0.000 3.062 276 W HA 0.428 5.209 4.660 0.202 0.000 0.336 276 W C -1.415 175.294 176.519 0.317 0.000 1.224 276 W CA -0.890 56.526 57.345 0.118 0.000 1.159 276 W CB 0.199 29.712 29.460 0.088 0.000 1.454 276 W HN 0.528 nan 8.180 nan 0.000 0.569 277 H N 2.080 121.266 119.070 0.194 0.000 2.481 277 H HA 0.364 5.041 4.556 0.202 0.000 0.333 277 H C -0.541 174.881 175.328 0.157 0.000 1.066 277 H CA -1.078 54.995 56.048 0.042 0.000 1.209 277 H CB 2.792 32.594 29.762 0.066 0.000 1.445 277 H HN 0.107 nan 8.280 nan 0.000 0.488 278 L N 4.394 125.684 121.223 0.112 0.000 2.278 278 L HA 0.246 4.707 4.340 0.202 0.000 0.287 278 L C 0.110 177.016 176.870 0.060 0.000 1.072 278 L CA -0.053 54.880 54.840 0.156 0.000 0.819 278 L CB 0.135 42.249 42.059 0.091 0.000 1.176 278 L HN 0.747 nan 8.230 nan 0.000 0.435 279 T N 0.978 115.537 114.554 0.009 0.000 2.916 279 T HA 0.558 5.029 4.350 0.202 0.000 0.292 279 T C -0.268 174.296 174.700 -0.227 0.000 1.064 279 T CA -0.633 61.448 62.100 -0.031 0.000 1.011 279 T CB 1.288 70.218 68.868 0.104 0.000 1.152 279 T HN 0.619 nan 8.240 nan 0.000 0.510 280 H N 1.194 120.353 119.070 0.149 0.000 2.336 280 H HA 0.376 5.053 4.556 0.202 0.000 0.230 280 H C -0.319 175.070 175.328 0.101 0.000 1.426 280 H CA -0.552 55.585 56.048 0.147 0.000 1.359 280 H CB 0.481 30.354 29.762 0.186 0.000 1.555 280 H HN 0.308 nan 8.280 nan 0.000 0.512 281 R N 1.252 121.855 120.500 0.171 0.000 2.387 281 R HA 0.550 5.011 4.340 0.202 0.000 0.314 281 R C -0.740 175.648 176.300 0.145 0.000 0.958 281 R CA -0.810 55.371 56.100 0.136 0.000 0.846 281 R CB 2.618 32.981 30.300 0.105 0.000 1.147 281 R HN 0.028 nan 8.270 nan 0.000 0.447 282 V N 2.326 122.328 119.914 0.147 0.000 2.588 282 V HA 0.432 4.674 4.120 0.202 0.000 0.304 282 V C 0.081 176.285 176.094 0.184 0.000 1.042 282 V CA -1.057 61.365 62.300 0.203 0.000 0.877 282 V CB 1.804 33.753 31.823 0.211 0.000 0.996 282 V HN 0.946 nan 8.190 nan 0.000 0.425 283 A N 2.610 125.551 122.820 0.201 0.000 2.498 283 A HA 0.244 4.685 4.320 0.202 0.000 0.239 283 A C 1.020 178.758 177.584 0.256 0.000 1.068 283 A CA -0.083 52.056 52.037 0.170 0.000 0.766 283 A CB 0.030 19.054 19.000 0.039 0.000 1.003 283 A HN 0.891 nan 8.150 nan 0.000 0.497 284 D N 0.336 120.824 120.400 0.146 0.000 2.144 284 D HA 0.001 4.763 4.640 0.202 0.000 0.200 284 D C 0.630 176.996 176.300 0.110 0.000 0.978 284 D CA 1.777 55.837 54.000 0.100 0.000 0.833 284 D CB 0.173 41.008 40.800 0.057 0.000 0.961 284 D HN 0.387 nan 8.370 nan 0.000 0.470 285 S N -1.564 114.233 115.700 0.161 0.000 2.568 285 S HA 0.376 4.967 4.470 0.202 0.000 0.293 285 S C -0.500 174.317 174.600 0.361 0.000 1.089 285 S CA -0.634 57.664 58.200 0.164 0.000 0.945 285 S CB 0.750 63.992 63.200 0.070 0.000 1.077 285 S HN -0.150 nan 8.310 nan 0.000 0.485 286 F N 2.161 122.083 119.950 -0.048 0.000 2.695 286 F HA 0.387 5.038 4.527 0.207 0.000 0.303 286 F C 1.149 176.962 175.800 0.022 0.000 1.091 286 F CA -0.039 57.955 58.000 -0.011 0.000 1.300 286 F CB 0.085 39.028 39.000 -0.096 0.000 1.071 286 F HN 0.594 nan 8.300 nan 0.000 0.578 287 S N -0.731 115.001 115.700 0.054 0.000 2.636 287 S HA 0.843 5.434 4.470 0.202 0.000 0.268 287 S C -1.205 173.275 174.600 -0.202 0.000 1.159 287 S CA -0.410 57.648 58.200 -0.237 0.000 0.815 287 S CB 1.716 64.524 63.200 -0.653 0.000 1.130 287 S HN 0.339 nan 8.310 nan 0.000 0.471 288 A N 0.284 122.936 122.820 -0.281 0.000 2.579 288 A HA 0.774 5.216 4.320 0.202 0.000 0.288 288 A C 0.746 178.234 177.584 -0.158 0.000 1.079 288 A CA 0.349 52.295 52.037 -0.152 0.000 0.889 288 A CB 0.019 18.980 19.000 -0.065 0.000 1.439 288 A HN 2.801 nan 8.150 nan 0.000 0.399 289 G N 2.333 111.049 108.800 -0.139 0.000 2.543 289 G HA2 -0.289 3.792 3.960 0.202 0.000 0.286 289 G HA3 -0.289 3.792 3.960 0.202 0.000 0.286 289 G C 0.628 175.477 174.900 -0.084 0.000 1.153 289 G CA 0.593 45.644 45.100 -0.081 0.000 0.968 289 G HN 1.045 nan 8.290 nan 0.000 0.544 290 R N -0.334 120.159 120.500 -0.012 0.000 2.427 290 R HA 0.443 4.904 4.340 0.202 0.000 0.262 290 R C -0.065 176.348 176.300 0.189 0.000 0.943 290 R CA 0.087 56.285 56.100 0.164 0.000 1.081 290 R CB 0.725 31.029 30.300 0.006 0.000 1.166 290 R HN 0.249 nan 8.270 nan 0.000 0.534 291 V N 1.677 121.542 119.914 -0.082 0.000 2.398 291 V HA 0.375 4.617 4.120 0.202 0.000 0.286 291 V C -0.551 175.397 176.094 -0.245 0.000 1.026 291 V CA -0.515 61.721 62.300 -0.107 0.000 0.868 291 V CB 1.101 32.779 31.823 -0.241 0.000 0.982 291 V HN -0.015 nan 8.190 nan 0.000 0.443 292 F N 4.304 124.210 119.950 -0.073 0.000 2.556 292 F HA 0.722 5.369 4.527 0.200 0.000 0.327 292 F C -0.051 175.698 175.800 -0.085 0.000 1.059 292 F CA -0.925 57.044 58.000 -0.050 0.000 0.953 292 F CB 1.723 40.654 39.000 -0.116 0.000 1.227 292 F HN 0.173 nan 8.300 nan 0.000 0.478 293 L N 1.401 122.712 121.223 0.146 0.000 2.362 293 L HA 0.773 5.234 4.340 0.202 0.000 0.275 293 L C -0.765 176.068 176.870 -0.060 0.000 0.998 293 L CA -0.404 54.403 54.840 -0.054 0.000 0.820 293 L CB 2.155 44.088 42.059 -0.211 0.000 1.270 293 L HN 0.643 nan 8.230 nan 0.000 0.415 294 T N 0.214 114.691 114.554 -0.129 0.000 2.868 294 T HA 0.766 5.237 4.350 0.202 0.000 0.306 294 T C 0.101 174.673 174.700 -0.212 0.000 1.224 294 T CA 0.011 62.040 62.100 -0.118 0.000 1.012 294 T CB 2.016 70.869 68.868 -0.025 0.000 1.221 294 T HN 1.060 nan 8.240 nan 0.000 0.499 295 G N 1.601 110.259 108.800 -0.237 0.000 2.525 295 G HA2 -0.244 3.837 3.960 0.202 0.000 0.248 295 G HA3 -0.244 3.837 3.960 0.202 0.000 0.248 295 G C 0.273 174.994 174.900 -0.298 0.000 1.238 295 G CA 0.624 45.626 45.100 -0.163 0.000 0.926 295 G HN 0.706 nan 8.290 nan 0.000 0.574 296 D N 0.652 120.981 120.400 -0.118 0.000 2.218 296 D HA 0.192 4.953 4.640 0.202 0.000 0.204 296 D C 2.701 178.923 176.300 -0.130 0.000 0.976 296 D CA 2.112 56.067 54.000 -0.076 0.000 0.853 296 D CB -0.563 40.230 40.800 -0.011 0.000 0.939 296 D HN 0.885 nan 8.370 nan 0.000 0.481 297 A N 0.325 123.047 122.820 -0.163 0.000 2.019 297 A HA 0.015 4.456 4.320 0.202 0.000 0.219 297 A C 2.157 179.588 177.584 -0.255 0.000 1.164 297 A CA 1.932 53.874 52.037 -0.158 0.000 0.644 297 A CB -0.313 18.604 19.000 -0.139 0.000 0.805 297 A HN 0.249 nan 8.150 nan 0.000 0.449 298 A N -1.141 121.405 122.820 -0.455 0.000 2.014 298 A HA 0.422 4.864 4.320 0.202 0.000 0.210 298 A C 0.591 177.893 177.584 -0.470 0.000 1.188 298 A CA 1.040 52.629 52.037 -0.747 0.000 0.731 298 A CB -0.005 18.236 19.000 -1.264 0.000 0.858 298 A HN 0.901 nan 8.150 nan 0.000 0.464 299 H N -2.954 116.048 119.070 -0.113 0.000 3.137 299 H HA 0.622 5.299 4.556 0.201 0.000 0.336 299 H C -1.117 174.231 175.328 0.034 0.000 1.055 299 H CA -0.595 55.461 56.048 0.013 0.000 1.349 299 H CB -0.136 29.683 29.762 0.095 0.000 1.939 299 H HN -0.093 nan 8.280 nan 0.000 0.487 300 T N 3.537 118.217 114.554 0.210 0.000 2.932 300 T HA 0.731 5.202 4.350 0.202 0.000 0.289 300 T C -0.566 174.217 174.700 0.138 0.000 1.039 300 T CA -0.629 61.563 62.100 0.153 0.000 1.024 300 T CB 1.350 70.278 68.868 0.100 0.000 1.090 300 T HN 0.691 nan 8.240 nan 0.000 0.496 301 L N -1.411 119.871 121.223 0.098 0.000 2.801 301 L HA 0.826 5.288 4.340 0.202 0.000 0.264 301 L C -0.175 176.700 176.870 0.009 0.000 1.086 301 L CA -1.115 53.773 54.840 0.079 0.000 0.920 301 L CB 1.069 43.221 42.059 0.155 0.000 1.529 301 L HN 0.519 nan 8.230 nan 0.000 0.399 302 S N 1.051 116.747 115.700 -0.007 0.000 2.549 302 S HA 0.405 4.997 4.470 0.202 0.000 0.283 302 S C -1.444 173.133 174.600 -0.039 0.000 1.320 302 S CA -0.645 57.545 58.200 -0.017 0.000 1.058 302 S CB 0.441 63.673 63.200 0.053 0.000 0.882 302 S HN 0.711 nan 8.310 nan 0.000 0.498 303 P HA -0.015 nan 4.420 nan 0.000 0.237 303 P C 0.113 177.267 177.300 -0.243 0.000 1.178 303 P CA 0.215 63.221 63.100 -0.158 0.000 0.766 303 P CB -0.409 31.185 31.700 -0.177 0.000 0.876 304 S N -0.072 115.514 115.700 -0.190 0.000 2.671 304 S HA 0.399 4.991 4.470 0.202 0.000 0.331 304 S C 1.283 175.591 174.600 -0.487 0.000 1.182 304 S CA 0.303 58.367 58.200 -0.227 0.000 1.276 304 S CB -0.917 62.249 63.200 -0.057 0.000 1.360 304 S HN 0.368 nan 8.310 nan 0.000 0.563 305 G N 1.741 110.124 108.800 -0.695 0.000 2.624 305 G HA2 0.205 4.287 3.960 0.202 0.000 0.190 305 G HA3 0.205 4.287 3.960 0.202 0.000 0.190 305 G C 0.762 174.982 174.900 -1.133 0.000 1.008 305 G CA 0.012 44.431 45.100 -1.134 0.000 0.731 305 G HN 2.068 nan 8.290 nan 0.000 0.478 306 G N -0.148 108.187 108.800 -0.775 0.000 2.298 306 G HA2 -0.104 3.978 3.960 0.202 0.000 0.287 306 G HA3 -0.104 3.978 3.960 0.202 0.000 0.287 306 G C 0.444 175.256 174.900 -0.146 0.000 1.075 306 G CA 0.768 45.662 45.100 -0.343 0.000 0.960 306 G HN 1.037 nan 8.290 nan 0.000 0.502 307 F N 0.029 119.969 119.950 -0.017 0.000 2.721 307 F HA 0.315 4.965 4.527 0.206 0.000 0.301 307 F C 2.395 178.197 175.800 0.003 0.000 1.096 307 F CA -0.204 57.786 58.000 -0.017 0.000 1.308 307 F CB -0.685 38.282 39.000 -0.056 0.000 1.086 307 F HN 0.279 nan 8.300 nan 0.000 0.587 308 G N 1.069 109.949 108.800 0.133 0.000 2.739 308 G HA2 -0.350 3.731 3.960 0.202 0.000 0.216 308 G HA3 -0.350 3.731 3.960 0.202 0.000 0.216 308 G C 1.728 176.699 174.900 0.120 0.000 1.298 308 G CA 1.120 46.283 45.100 0.106 0.000 0.804 308 G HN 0.327 nan 8.290 nan 0.000 0.623 309 M N 0.603 120.258 119.600 0.090 0.000 2.279 309 M HA -0.069 4.532 4.480 0.202 0.000 0.264 309 M C 2.126 178.498 176.300 0.121 0.000 1.062 309 M CA 1.457 56.817 55.300 0.101 0.000 1.099 309 M CB -0.275 32.375 32.600 0.083 0.000 1.394 309 M HN 0.202 nan 8.290 nan 0.000 0.426 310 N N -0.213 118.563 118.700 0.127 0.000 2.171 310 N HA -0.090 4.772 4.740 0.202 0.000 0.184 310 N C 1.541 177.106 175.510 0.091 0.000 1.021 310 N CA 2.031 55.148 53.050 0.111 0.000 0.854 310 N CB -0.680 37.896 38.487 0.148 0.000 0.994 310 N HN 0.391 nan 8.380 nan 0.000 0.426 311 T N 0.322 114.931 114.554 0.092 0.000 2.788 311 T HA -0.069 4.402 4.350 0.202 0.000 0.268 311 T C 1.952 176.739 174.700 0.145 0.000 1.044 311 T CA 1.375 63.492 62.100 0.028 0.000 1.139 311 T CB -0.615 68.201 68.868 -0.087 0.000 0.867 311 T HN 0.375 nan 8.240 nan 0.000 0.454 312 G N 1.348 110.285 108.800 0.228 0.000 2.421 312 G HA2 -0.116 3.965 3.960 0.202 0.000 0.216 312 G HA3 -0.116 3.965 3.960 0.202 0.000 0.216 312 G C 1.527 176.529 174.900 0.170 0.000 1.171 312 G CA 0.404 45.661 45.100 0.261 0.000 0.775 312 G HN 0.484 nan 8.290 nan 0.000 0.543 313 I N 1.266 121.913 120.570 0.128 0.000 2.286 313 I HA -0.087 4.205 4.170 0.202 0.000 0.248 313 I C 3.021 179.208 176.117 0.117 0.000 1.115 313 I CA 0.949 62.312 61.300 0.106 0.000 1.392 313 I CB -0.376 37.657 38.000 0.054 0.000 1.065 313 I HN 0.264 nan 8.210 nan 0.000 0.418 314 G N -0.249 108.613 108.800 0.103 0.000 2.422 314 G HA2 -0.182 3.899 3.960 0.202 0.000 0.218 314 G HA3 -0.182 3.899 3.960 0.202 0.000 0.218 314 G C 1.749 176.750 174.900 0.168 0.000 1.140 314 G CA 0.753 45.919 45.100 0.110 0.000 0.775 314 G HN 0.333 nan 8.290 nan 0.000 0.545 315 S N 0.710 116.540 115.700 0.216 0.000 2.414 315 S HA 0.139 4.731 4.470 0.202 0.000 0.227 315 S C 2.751 177.501 174.600 0.250 0.000 1.022 315 S CA 0.861 59.258 58.200 0.328 0.000 0.958 315 S CB -0.157 63.324 63.200 0.469 0.000 0.797 315 S HN 0.544 nan 8.310 nan 0.000 0.493 316 A N 1.687 124.596 122.820 0.148 0.000 1.902 316 A HA 0.129 4.571 4.320 0.202 0.000 0.217 316 A C 2.328 179.944 177.584 0.052 0.000 1.181 316 A CA 1.631 53.691 52.037 0.038 0.000 0.623 316 A CB -1.021 17.995 19.000 0.026 0.000 0.818 316 A HN 0.499 nan 8.150 nan 0.000 0.443 317 A N -0.234 122.682 122.820 0.160 0.000 1.930 317 A HA -0.158 4.284 4.320 0.202 0.000 0.217 317 A C 1.822 179.558 177.584 0.254 0.000 1.175 317 A CA 2.108 54.286 52.037 0.236 0.000 0.627 317 A CB -0.614 18.534 19.000 0.247 0.000 0.815 317 A HN 0.550 nan 8.150 nan 0.000 0.443 318 D N -0.564 119.968 120.400 0.220 0.000 2.084 318 D HA -0.141 4.620 4.640 0.202 0.000 0.196 318 D C 1.778 178.023 176.300 -0.092 0.000 0.985 318 D CA 1.327 55.473 54.000 0.244 0.000 0.826 318 D CB -0.204 40.729 40.800 0.223 0.000 0.978 318 D HN 0.215 nan 8.370 nan 0.000 0.456 319 L N 0.249 121.329 121.223 -0.238 0.000 2.083 319 L HA 0.097 4.558 4.340 0.202 0.000 0.209 319 L C 2.171 178.734 176.870 -0.512 0.000 1.083 319 L CA 2.197 56.658 54.840 -0.632 0.000 0.752 319 L CB -1.106 40.364 42.059 -0.982 0.000 0.899 319 L HN 0.167 nan 8.230 nan 0.000 0.433 320 G N 0.044 108.686 108.800 -0.263 0.000 2.491 320 G HA2 -0.329 3.752 3.960 0.202 0.000 0.218 320 G HA3 -0.329 3.752 3.960 0.202 0.000 0.218 320 G C 1.394 176.238 174.900 -0.095 0.000 1.180 320 G CA 0.979 45.981 45.100 -0.163 0.000 0.774 320 G HN 0.722 nan 8.290 nan 0.000 0.562 321 W N 1.251 122.490 121.300 -0.101 0.000 2.467 321 W HA 0.182 4.948 4.660 0.177 0.000 0.275 321 W C 1.714 178.147 176.519 -0.142 0.000 1.239 321 W CA 0.882 58.188 57.345 -0.065 0.000 1.266 321 W CB -0.401 29.056 29.460 -0.005 0.000 1.112 321 W HN 0.217 nan 8.180 nan 0.000 0.576 322 K N 0.939 120.756 120.400 -0.972 0.000 2.116 322 K HA -0.031 4.410 4.320 0.202 0.000 0.203 322 K C 2.296 178.489 176.600 -0.678 0.000 1.052 322 K CA 1.277 56.946 56.287 -1.030 0.000 0.952 322 K CB -0.299 31.573 32.500 -1.048 0.000 0.729 322 K HN 0.157 nan 8.250 nan 0.000 0.446 323 L N 0.606 121.453 121.223 -0.627 0.000 2.056 323 L HA -0.151 4.310 4.340 0.202 0.000 0.207 323 L C 2.606 179.246 176.870 -0.383 0.000 1.078 323 L CA 1.136 55.611 54.840 -0.610 0.000 0.749 323 L CB -0.567 41.114 42.059 -0.630 0.000 0.901 323 L HN 0.178 nan 8.230 nan 0.000 0.433 324 A N 0.140 122.804 122.820 -0.261 0.000 1.877 324 A HA -0.204 4.238 4.320 0.202 0.000 0.216 324 A C 2.553 179.994 177.584 -0.237 0.000 1.186 324 A CA 1.832 53.789 52.037 -0.133 0.000 0.620 324 A CB -0.855 18.153 19.000 0.014 0.000 0.822 324 A HN 0.395 nan 8.150 nan 0.000 0.443 325 A N -0.928 121.642 122.820 -0.418 0.000 1.892 325 A HA -0.159 4.283 4.320 0.202 0.000 0.218 325 A C 2.328 179.426 177.584 -0.811 0.000 1.188 325 A CA 2.555 53.958 52.037 -1.056 0.000 0.631 325 A CB -1.434 16.827 19.000 -1.232 0.000 0.822 325 A HN 0.458 nan 8.150 nan 0.000 0.447 326 T N 0.423 114.677 114.554 -0.500 0.000 2.708 326 T HA -0.096 4.375 4.350 0.202 0.000 0.266 326 T C 1.815 176.416 174.700 -0.165 0.000 1.037 326 T CA 1.566 63.490 62.100 -0.294 0.000 1.146 326 T CB -0.414 68.316 68.868 -0.229 0.000 0.865 326 T HN 0.374 nan 8.240 nan 0.000 0.435 327 L N 0.323 121.471 121.223 -0.125 0.000 2.083 327 L HA -0.042 4.420 4.340 0.202 0.000 0.209 327 L C 2.856 179.709 176.870 -0.028 0.000 1.083 327 L CA 1.000 55.827 54.840 -0.022 0.000 0.752 327 L CB -0.406 41.659 42.059 0.011 0.000 0.899 327 L HN 0.030 nan 8.230 nan 0.000 0.433 328 R N 0.028 120.485 120.500 -0.072 0.000 2.235 328 R HA 0.015 4.477 4.340 0.202 0.000 0.213 328 R C 1.581 177.909 176.300 0.046 0.000 1.059 328 R CA 0.967 57.086 56.100 0.031 0.000 0.997 328 R CB -0.346 30.048 30.300 0.158 0.000 0.884 328 R HN 0.530 nan 8.270 nan 0.000 0.462 329 G N 0.037 108.800 108.800 -0.063 0.000 2.213 329 G HA2 -0.183 3.898 3.960 0.202 0.000 0.226 329 G HA3 -0.183 3.898 3.960 0.202 0.000 0.226 329 G C 0.633 175.584 174.900 0.085 0.000 0.992 329 G CA 0.206 45.311 45.100 0.008 0.000 0.632 329 G HN 0.486 nan 8.290 nan 0.000 0.511 330 W N 0.735 122.088 121.300 0.088 0.000 3.197 330 W HA 0.714 5.486 4.660 0.187 0.000 0.274 330 W C 0.846 177.429 176.519 0.107 0.000 1.297 330 W CA 0.082 57.493 57.345 0.110 0.000 1.662 330 W CB -0.719 28.837 29.460 0.160 0.000 1.106 330 W HN 0.754 nan 8.180 nan 0.000 0.663 331 A N 2.098 124.779 122.820 -0.232 0.000 2.425 331 A HA 0.490 4.931 4.320 0.202 0.000 0.242 331 A C 0.662 178.241 177.584 -0.007 0.000 1.077 331 A CA 0.468 52.389 52.037 -0.192 0.000 0.781 331 A CB -0.054 18.715 19.000 -0.386 0.000 1.020 331 A HN 0.259 nan 8.150 nan 0.000 0.494 332 G N 0.434 109.253 108.800 0.032 0.000 2.448 332 G HA2 0.483 4.564 3.960 0.202 0.000 0.285 332 G HA3 0.483 4.564 3.960 0.202 0.000 0.285 332 G C -1.093 173.810 174.900 0.005 0.000 1.176 332 G CA -0.976 44.149 45.100 0.041 0.000 0.852 332 G HN 0.527 nan 8.290 nan 0.000 0.530 333 P HA -0.099 nan 4.420 nan 0.000 0.220 333 P C 1.392 178.699 177.300 0.012 0.000 1.144 333 P CA 1.544 64.652 63.100 0.013 0.000 0.800 333 P CB 0.247 31.959 31.700 0.020 0.000 0.772 334 G N -0.870 107.937 108.800 0.011 0.000 3.088 334 G HA2 -0.006 4.075 3.960 0.202 0.000 0.217 334 G HA3 -0.006 4.075 3.960 0.202 0.000 0.217 334 G C 1.281 176.177 174.900 -0.007 0.000 1.159 334 G CA -0.144 44.962 45.100 0.011 0.000 0.760 334 G HN 0.137 nan 8.290 nan 0.000 0.550 335 L N 0.932 122.134 121.223 -0.036 0.000 1.971 335 L HA -0.041 4.421 4.340 0.202 0.000 0.215 335 L C 2.692 179.481 176.870 -0.135 0.000 1.072 335 L CA 1.690 56.469 54.840 -0.102 0.000 0.758 335 L CB -0.603 41.345 42.059 -0.185 0.000 0.889 335 L HN 0.199 nan 8.230 nan 0.000 0.433 336 L N -0.786 120.365 121.223 -0.120 0.000 2.129 336 L HA -0.266 4.196 4.340 0.202 0.000 0.212 336 L C 2.590 179.524 176.870 0.106 0.000 1.087 336 L CA 1.253 56.060 54.840 -0.055 0.000 0.757 336 L CB -0.884 41.205 42.059 0.050 0.000 0.896 336 L HN 0.449 nan 8.230 nan 0.000 0.434 337 A N -0.002 122.861 122.820 0.071 0.000 1.972 337 A HA -0.219 4.222 4.320 0.202 0.000 0.219 337 A C 2.355 179.960 177.584 0.034 0.000 1.169 337 A CA 2.078 54.155 52.037 0.067 0.000 0.635 337 A CB -0.902 18.115 19.000 0.028 0.000 0.810 337 A HN 0.546 nan 8.150 nan 0.000 0.446 338 T N -3.755 110.799 114.554 0.000 0.000 3.051 338 T HA -0.175 4.297 4.350 0.202 0.000 0.269 338 T C 1.609 176.278 174.700 -0.050 0.000 1.127 338 T CA 1.284 63.359 62.100 -0.040 0.000 1.107 338 T CB -0.528 68.316 68.868 -0.041 0.000 0.898 338 T HN 0.488 nan 8.240 nan 0.000 0.517 339 Y N 2.302 122.533 120.300 -0.115 0.000 2.097 339 Y HA -0.087 4.582 4.550 0.198 0.000 0.282 339 Y C 2.375 178.223 175.900 -0.086 0.000 1.152 339 Y CA 1.781 59.825 58.100 -0.094 0.000 1.136 339 Y CB -0.700 37.759 38.460 -0.002 0.000 0.975 339 Y HN 0.370 nan 8.280 nan 0.000 0.498 340 E N -0.078 119.938 120.200 -0.307 0.000 2.077 340 E HA -0.263 4.208 4.350 0.202 0.000 0.193 340 E C 2.299 178.584 176.600 -0.526 0.000 0.989 340 E CA 1.271 57.299 56.400 -0.620 0.000 0.800 340 E CB -0.308 29.188 29.700 -0.339 0.000 0.746 340 E HN 0.693 nan 8.360 nan 0.000 0.452 341 E N 0.115 120.141 120.200 -0.290 0.000 2.070 341 E HA -0.254 4.218 4.350 0.202 0.000 0.197 341 E C 1.859 178.316 176.600 -0.238 0.000 1.004 341 E CA 1.726 57.996 56.400 -0.216 0.000 0.805 341 E CB 0.085 29.711 29.700 -0.123 0.000 0.744 341 E HN 0.366 nan 8.360 nan 0.000 0.451 342 E N -0.712 119.308 120.200 -0.300 0.000 2.102 342 E HA -0.045 4.426 4.350 0.202 0.000 0.190 342 E C 2.271 178.665 176.600 -0.342 0.000 0.971 342 E CA 0.163 56.322 56.400 -0.402 0.000 0.821 342 E CB 0.125 29.361 29.700 -0.772 0.000 0.777 342 E HN 0.061 nan 8.360 nan 0.000 0.460 343 R N 0.916 121.201 120.500 -0.359 0.000 2.119 343 R HA 0.035 4.497 4.340 0.202 0.000 0.222 343 R C 2.198 178.352 176.300 -0.243 0.000 1.088 343 R CA 0.630 56.598 56.100 -0.221 0.000 0.984 343 R CB -0.498 29.722 30.300 -0.134 0.000 0.884 343 R HN 0.101 nan 8.270 nan 0.000 0.447 344 R N 0.888 121.063 120.500 -0.542 0.000 2.083 344 R HA -0.092 4.369 4.340 0.202 0.000 0.237 344 R C -0.784 175.382 176.300 -0.222 0.000 1.137 344 R CA 1.498 57.276 56.100 -0.535 0.000 0.951 344 R CB -0.952 28.818 30.300 -0.884 0.000 0.851 344 R HN 0.112 nan 8.270 nan 0.000 0.434 345 P HA -0.131 nan 4.420 nan 0.000 0.215 345 P C 1.290 178.551 177.300 -0.065 0.000 1.153 345 P CA 1.085 64.135 63.100 -0.084 0.000 0.853 345 P CB 0.045 31.720 31.700 -0.043 0.000 0.788 346 V N 0.131 119.986 119.914 -0.098 0.000 2.343 346 V HA -0.266 3.976 4.120 0.202 0.000 0.247 346 V C 2.440 178.374 176.094 -0.266 0.000 1.051 346 V CA 2.263 64.425 62.300 -0.229 0.000 1.036 346 V CB -1.721 29.919 31.823 -0.306 0.000 0.654 346 V HN 0.110 nan 8.190 nan 0.000 0.451 347 A N -0.181 122.511 122.820 -0.213 0.000 1.930 347 A HA -0.138 4.303 4.320 0.202 0.000 0.217 347 A C 2.165 179.705 177.584 -0.073 0.000 1.175 347 A CA 1.728 53.625 52.037 -0.233 0.000 0.627 347 A CB -0.484 18.392 19.000 -0.207 0.000 0.815 347 A HN 0.521 nan 8.150 nan 0.000 0.443 348 I N -0.605 119.949 120.570 -0.026 0.000 2.252 348 I HA -0.212 4.079 4.170 0.202 0.000 0.245 348 I C 2.596 178.732 176.117 0.032 0.000 1.102 348 I CA 1.686 62.998 61.300 0.021 0.000 1.385 348 I CB -0.760 37.246 38.000 0.011 0.000 1.064 348 I HN 0.235 nan 8.210 nan 0.000 0.414 349 T N 0.274 114.836 114.554 0.014 0.000 2.652 349 T HA -0.171 4.300 4.350 0.202 0.000 0.267 349 T C 2.084 176.806 174.700 0.036 0.000 1.039 349 T CA 1.982 64.108 62.100 0.045 0.000 1.153 349 T CB -0.247 68.682 68.868 0.102 0.000 0.863 349 T HN 0.285 nan 8.240 nan 0.000 0.428 350 S N 1.199 116.897 115.700 -0.003 0.000 2.419 350 S HA 0.034 4.625 4.470 0.202 0.000 0.233 350 S C 1.924 176.582 174.600 0.096 0.000 1.016 350 S CA 0.570 58.742 58.200 -0.047 0.000 0.974 350 S CB -0.432 62.698 63.200 -0.117 0.000 0.786 350 S HN 0.367 nan 8.310 nan 0.000 0.492 351 L N 1.469 122.760 121.223 0.113 0.000 2.027 351 L HA -0.099 4.363 4.340 0.202 0.000 0.206 351 L C 2.405 179.416 176.870 0.235 0.000 1.074 351 L CA 1.391 56.353 54.840 0.203 0.000 0.745 351 L CB -0.266 41.910 42.059 0.197 0.000 0.898 351 L HN 0.131 nan 8.230 nan 0.000 0.433 352 E N 0.034 120.340 120.200 0.176 0.000 2.051 352 E HA -0.285 4.186 4.350 0.202 0.000 0.192 352 E C 1.976 178.652 176.600 0.127 0.000 0.991 352 E CA 1.374 57.873 56.400 0.165 0.000 0.799 352 E CB -0.241 29.531 29.700 0.120 0.000 0.748 352 E HN 0.468 nan 8.360 nan 0.000 0.449 353 E N 1.033 121.298 120.200 0.108 0.000 2.058 353 E HA -0.148 4.324 4.350 0.202 0.000 0.194 353 E C 1.914 178.640 176.600 0.211 0.000 0.997 353 E CA 1.585 58.052 56.400 0.111 0.000 0.801 353 E CB -0.380 29.335 29.700 0.024 0.000 0.746 353 E HN 0.198 nan 8.360 nan 0.000 0.450 354 A N 0.552 123.560 122.820 0.315 0.000 1.908 354 A HA -0.273 4.168 4.320 0.202 0.000 0.218 354 A C 2.179 179.861 177.584 0.165 0.000 1.181 354 A CA 2.044 54.244 52.037 0.272 0.000 0.627 354 A CB -1.056 18.114 19.000 0.283 0.000 0.818 354 A HN 0.417 nan 8.150 nan 0.000 0.445 355 N N -0.094 118.713 118.700 0.179 0.000 2.223 355 N HA -0.127 4.734 4.740 0.202 0.000 0.185 355 N C 1.425 176.952 175.510 0.029 0.000 1.016 355 N CA 1.679 54.789 53.050 0.100 0.000 0.863 355 N CB -0.348 38.093 38.487 -0.077 0.000 0.983 355 N HN 0.186 nan 8.380 nan 0.000 0.429 356 V N 1.077 121.016 119.914 0.041 0.000 2.255 356 V HA -0.262 3.979 4.120 0.202 0.000 0.247 356 V C 2.022 178.139 176.094 0.038 0.000 1.051 356 V CA 1.841 64.157 62.300 0.027 0.000 1.018 356 V CB -0.774 31.072 31.823 0.037 0.000 0.641 356 V HN 0.446 nan 8.190 nan 0.000 0.445 357 N N 0.087 118.816 118.700 0.048 0.000 2.137 357 N HA -0.176 4.686 4.740 0.202 0.000 0.190 357 N C 1.685 177.238 175.510 0.071 0.000 1.017 357 N CA 1.526 54.593 53.050 0.029 0.000 0.859 357 N CB -0.509 37.959 38.487 -0.031 0.000 1.002 357 N HN 0.408 nan 8.380 nan 0.000 0.428 358 L N 1.699 122.978 121.223 0.094 0.000 2.027 358 L HA -0.039 4.422 4.340 0.202 0.000 0.206 358 L C 2.086 179.047 176.870 0.152 0.000 1.074 358 L CA 1.596 56.527 54.840 0.153 0.000 0.745 358 L CB -0.371 41.789 42.059 0.170 0.000 0.898 358 L HN -0.065 nan 8.230 nan 0.000 0.433 359 R N -0.152 120.399 120.500 0.086 0.000 2.096 359 R HA -0.148 4.313 4.340 0.202 0.000 0.235 359 R C 2.336 178.676 176.300 0.067 0.000 1.127 359 R CA 1.394 57.532 56.100 0.062 0.000 0.968 359 R CB -1.021 29.282 30.300 0.004 0.000 0.861 359 R HN 0.465 nan 8.270 nan 0.000 0.440 360 R N 0.206 120.740 120.500 0.056 0.000 2.103 360 R HA -0.122 4.340 4.340 0.202 0.000 0.242 360 R C 1.558 177.894 176.300 0.060 0.000 1.142 360 R CA 2.059 58.180 56.100 0.036 0.000 0.960 360 R CB -0.120 30.191 30.300 0.018 0.000 0.858 360 R HN 0.133 nan 8.270 nan 0.000 0.439 361 T N 0.576 115.205 114.554 0.126 0.000 2.937 361 T HA -0.003 4.469 4.350 0.202 0.000 0.260 361 T C 1.723 176.530 174.700 0.178 0.000 1.051 361 T CA 0.834 63.043 62.100 0.182 0.000 1.141 361 T CB 0.062 69.134 68.868 0.340 0.000 0.879 361 T HN 0.134 nan 8.240 nan 0.000 0.459 362 M N 1.521 121.237 119.600 0.194 0.000 2.175 362 M HA -0.026 4.575 4.480 0.202 0.000 0.264 362 M C 1.629 177.987 176.300 0.097 0.000 1.063 362 M CA 1.288 56.693 55.300 0.175 0.000 1.119 362 M CB -0.917 31.791 32.600 0.181 0.000 1.377 362 M HN 0.160 nan 8.290 nan 0.000 0.415 363 D N -0.130 120.311 120.400 0.068 0.000 2.137 363 D HA -0.049 4.713 4.640 0.202 0.000 0.202 363 D C 0.974 177.288 176.300 0.023 0.000 0.970 363 D CA 0.366 54.388 54.000 0.036 0.000 0.837 363 D CB -0.256 40.556 40.800 0.019 0.000 0.981 363 D HN 0.208 nan 8.370 nan 0.000 0.475 364 R N 1.983 122.497 120.500 0.023 0.000 2.486 364 R HA -0.090 4.371 4.340 0.202 0.000 0.304 364 R C 0.355 176.662 176.300 0.011 0.000 0.913 364 R CA 0.374 56.477 56.100 0.005 0.000 1.124 364 R CB 0.145 30.451 30.300 0.009 0.000 0.891 364 R HN 0.065 nan 8.270 nan 0.000 0.410 365 E N 4.395 124.593 120.200 -0.002 0.000 2.313 365 E HA 0.102 4.574 4.350 0.202 0.000 0.272 365 E C -0.770 175.833 176.600 0.005 0.000 1.038 365 E CA -0.531 55.869 56.400 -0.000 0.000 0.863 365 E CB 0.720 30.414 29.700 -0.009 0.000 1.060 365 E HN 0.521 nan 8.360 nan 0.000 0.402 366 L N 5.960 127.187 121.223 0.007 0.000 2.321 366 L HA 0.338 4.800 4.340 0.202 0.000 0.272 366 L C -2.098 174.762 176.870 -0.016 0.000 1.050 366 L CA -2.066 52.783 54.840 0.014 0.000 0.893 366 L CB 0.753 42.827 42.059 0.026 0.000 1.272 366 L HN 0.395 nan 8.230 nan 0.000 0.435 367 P HA -0.010 nan 4.420 nan 0.000 0.263 367 P C -1.758 175.506 177.300 -0.060 0.000 1.168 367 P CA -0.656 62.425 63.100 -0.032 0.000 0.759 367 P CB 0.189 31.875 31.700 -0.023 0.000 0.782 368 P HA -0.154 nan 4.420 nan 0.000 0.217 368 P C 0.640 177.882 177.300 -0.097 0.000 1.158 368 P CA 1.755 64.811 63.100 -0.073 0.000 0.887 368 P CB -0.097 31.574 31.700 -0.047 0.000 0.792 369 G N -1.850 106.909 108.800 -0.068 0.000 2.716 369 G HA2 0.492 4.573 3.960 0.202 0.000 0.333 369 G HA3 0.492 4.573 3.960 0.202 0.000 0.333 369 G C 0.131 175.008 174.900 -0.039 0.000 1.168 369 G CA -0.035 45.030 45.100 -0.058 0.000 1.064 369 G HN 0.325 nan 8.290 nan 0.000 0.479 370 L N 1.009 122.205 121.223 -0.045 0.000 3.066 370 L HA 0.440 4.901 4.340 0.202 0.000 0.272 370 L C 1.513 178.530 176.870 0.245 0.000 1.101 370 L CA 0.492 55.374 54.840 0.070 0.000 1.022 370 L CB -1.032 41.084 42.059 0.095 0.000 1.600 370 L HN 0.725 nan 8.230 nan 0.000 0.559 371 H N -0.243 118.860 119.070 0.056 0.000 2.526 371 H HA 0.191 4.868 4.556 0.202 0.000 0.274 371 H C -0.469 174.934 175.328 0.126 0.000 0.999 371 H CA -0.466 55.649 56.048 0.111 0.000 1.157 371 H CB 0.589 30.393 29.762 0.071 0.000 1.407 371 H HN 0.556 nan 8.280 nan 0.000 0.568 372 D N 1.291 121.793 120.400 0.170 0.000 2.382 372 D HA -0.039 4.722 4.640 0.202 0.000 0.245 372 D C 0.304 176.677 176.300 0.122 0.000 1.120 372 D CA 0.225 54.293 54.000 0.113 0.000 0.890 372 D CB 1.216 42.045 40.800 0.047 0.000 1.201 372 D HN 0.326 nan 8.370 nan 0.000 0.433 373 D N 0.338 120.827 120.400 0.148 0.000 2.340 373 D HA 0.103 4.865 4.640 0.202 0.000 0.220 373 D C 1.245 177.584 176.300 0.064 0.000 1.039 373 D CA 0.082 54.186 54.000 0.173 0.000 0.866 373 D CB 0.186 41.080 40.800 0.156 0.000 0.913 373 D HN 0.395 nan 8.370 nan 0.000 0.523 374 G N 1.198 110.018 108.800 0.032 0.000 2.553 374 G HA2 0.171 4.253 3.960 0.202 0.000 0.278 374 G HA3 0.171 4.253 3.960 0.202 0.000 0.278 374 G C -1.269 173.625 174.900 -0.010 0.000 1.349 374 G CA -0.798 44.309 45.100 0.013 0.000 1.037 374 G HN -0.060 nan 8.290 nan 0.000 0.508 375 P HA -0.088 nan 4.420 nan 0.000 0.222 375 P C 1.495 178.782 177.300 -0.023 0.000 1.147 375 P CA 0.766 63.858 63.100 -0.014 0.000 0.790 375 P CB 0.218 31.914 31.700 -0.006 0.000 0.780 376 R N -0.033 120.455 120.500 -0.019 0.000 2.073 376 R HA -0.076 4.385 4.340 0.202 0.000 0.234 376 R C 2.659 178.938 176.300 -0.035 0.000 1.134 376 R CA 1.592 57.680 56.100 -0.021 0.000 0.952 376 R CB -1.442 28.850 30.300 -0.013 0.000 0.850 376 R HN 0.231 nan 8.270 nan 0.000 0.433 377 G N 1.646 110.414 108.800 -0.054 0.000 2.721 377 G HA2 -0.350 3.731 3.960 0.202 0.000 0.218 377 G HA3 -0.350 3.731 3.960 0.202 0.000 0.218 377 G C 1.056 175.892 174.900 -0.106 0.000 1.265 377 G CA 1.278 46.314 45.100 -0.108 0.000 0.796 377 G HN 0.263 nan 8.290 nan 0.000 0.620 378 E N 0.503 120.636 120.200 -0.111 0.000 2.219 378 E HA -0.062 4.410 4.350 0.202 0.000 0.198 378 E C 2.924 179.502 176.600 -0.036 0.000 0.998 378 E CA 1.880 58.239 56.400 -0.069 0.000 0.818 378 E CB -0.400 29.272 29.700 -0.047 0.000 0.741 378 E HN 0.479 nan 8.360 nan 0.000 0.477 379 R N 0.716 121.197 120.500 -0.033 0.000 2.055 379 R HA 0.042 4.504 4.340 0.202 0.000 0.228 379 R C 2.568 178.855 176.300 -0.021 0.000 1.143 379 R CA 1.900 57.986 56.100 -0.022 0.000 0.945 379 R CB -1.863 28.425 30.300 -0.019 0.000 0.841 379 R HN 0.285 nan 8.270 nan 0.000 0.429 380 I N 1.434 121.991 120.570 -0.022 0.000 2.163 380 I HA -0.076 4.216 4.170 0.202 0.000 0.240 380 I C 2.632 178.741 176.117 -0.013 0.000 1.081 380 I CA 2.159 63.448 61.300 -0.018 0.000 1.353 380 I CB -1.064 36.928 38.000 -0.015 0.000 1.054 380 I HN 0.504 nan 8.210 nan 0.000 0.407 381 R N 0.850 121.345 120.500 -0.009 0.000 2.080 381 R HA -0.120 4.341 4.340 0.202 0.000 0.236 381 R C 2.531 178.834 176.300 0.006 0.000 1.137 381 R CA 1.507 57.612 56.100 0.010 0.000 0.943 381 R CB -0.661 29.645 30.300 0.009 0.000 0.846 381 R HN 0.658 nan 8.270 nan 0.000 0.431 382 A N 0.718 123.538 122.820 0.000 0.000 2.178 382 A HA -0.029 4.413 4.320 0.202 0.000 0.218 382 A C 2.123 179.695 177.584 -0.020 0.000 1.157 382 A CA 1.493 53.533 52.037 0.005 0.000 0.689 382 A CB -0.332 18.673 19.000 0.007 0.000 0.787 382 A HN 0.440 nan 8.150 nan 0.000 0.465 383 A N -0.786 122.017 122.820 -0.028 0.000 1.911 383 A HA 0.171 4.613 4.320 0.202 0.000 0.212 383 A C 2.049 179.593 177.584 -0.067 0.000 1.189 383 A CA 1.210 53.222 52.037 -0.042 0.000 0.639 383 A CB -0.591 18.389 19.000 -0.033 0.000 0.839 383 A HN 0.337 nan 8.150 nan 0.000 0.449 384 V N 0.315 120.194 119.914 -0.059 0.000 2.490 384 V HA -0.210 4.031 4.120 0.202 0.000 0.250 384 V C 2.940 178.940 176.094 -0.156 0.000 1.061 384 V CA 1.724 63.974 62.300 -0.083 0.000 1.064 384 V CB -1.182 30.617 31.823 -0.040 0.000 0.670 384 V HN 0.566 nan 8.190 nan 0.000 0.461 385 A N 0.104 122.842 122.820 -0.137 0.000 2.015 385 A HA -0.146 4.295 4.320 0.202 0.000 0.219 385 A C 2.306 179.686 177.584 -0.340 0.000 1.163 385 A CA 1.933 53.827 52.037 -0.238 0.000 0.646 385 A CB -0.545 18.427 19.000 -0.047 0.000 0.806 385 A HN 0.624 nan 8.150 nan 0.000 0.448 386 E N 0.646 120.726 120.200 -0.200 0.000 2.107 386 E HA -0.163 4.308 4.350 0.202 0.000 0.191 386 E C 1.969 178.444 176.600 -0.208 0.000 0.982 386 E CA 1.511 57.806 56.400 -0.174 0.000 0.809 386 E CB -0.612 29.028 29.700 -0.100 0.000 0.756 386 E HN 0.779 nan 8.360 nan 0.000 0.459 387 K N -0.329 119.949 120.400 -0.203 0.000 2.103 387 K HA 0.143 4.585 4.320 0.202 0.000 0.204 387 K C 2.362 178.798 176.600 -0.274 0.000 1.052 387 K CA 0.865 57.038 56.287 -0.191 0.000 0.945 387 K CB -0.168 32.244 32.500 -0.147 0.000 0.722 387 K HN 0.261 nan 8.250 nan 0.000 0.443 388 L N 1.250 122.224 121.223 -0.415 0.000 1.955 388 L HA -0.262 4.200 4.340 0.202 0.000 0.213 388 L C 2.638 179.167 176.870 -0.567 0.000 1.072 388 L CA 1.602 56.083 54.840 -0.599 0.000 0.755 388 L CB -0.354 41.116 42.059 -0.980 0.000 0.888 388 L HN 0.290 nan 8.230 nan 0.000 0.432 389 E N -0.270 119.528 120.200 -0.671 0.000 2.171 389 E HA -0.293 4.178 4.350 0.202 0.000 0.197 389 E C 2.316 178.800 176.600 -0.193 0.000 0.997 389 E CA 1.709 57.876 56.400 -0.389 0.000 0.810 389 E CB 0.108 29.635 29.700 -0.289 0.000 0.738 389 E HN 0.415 nan 8.360 nan 0.000 0.467 390 R N 0.209 120.595 120.500 -0.190 0.000 2.127 390 R HA -0.003 4.458 4.340 0.202 0.000 0.217 390 R C 2.192 178.430 176.300 -0.103 0.000 1.074 390 R CA 1.317 57.347 56.100 -0.116 0.000 0.991 390 R CB -1.259 28.980 30.300 -0.103 0.000 0.895 390 R HN 0.370 nan 8.270 nan 0.000 0.450 391 S N -1.244 114.372 115.700 -0.139 0.000 2.555 391 S HA 0.283 4.874 4.470 0.202 0.000 0.230 391 S C 1.555 176.107 174.600 -0.081 0.000 0.978 391 S CA 0.660 58.794 58.200 -0.109 0.000 0.934 391 S CB -0.232 62.887 63.200 -0.135 0.000 0.766 391 S HN 1.793 nan 8.310 nan 0.000 0.533 392 G N 0.631 109.383 108.800 -0.080 0.000 2.291 392 G HA2 -0.048 4.033 3.960 0.202 0.000 0.271 392 G HA3 -0.048 4.033 3.960 0.202 0.000 0.271 392 G C 0.672 175.565 174.900 -0.011 0.000 1.099 392 G CA 0.075 45.159 45.100 -0.027 0.000 0.919 392 G HN 1.014 nan 8.290 nan 0.000 0.496 393 A N 0.529 123.316 122.820 -0.055 0.000 1.897 393 A HA 0.152 4.594 4.320 0.202 0.000 0.215 393 A C 2.289 180.015 177.584 0.237 0.000 1.181 393 A CA 2.021 54.053 52.037 -0.009 0.000 0.620 393 A CB -0.265 18.529 19.000 -0.344 0.000 0.821 393 A HN 1.402 nan 8.150 nan 0.000 0.443 394 R N 0.053 120.710 120.500 0.260 0.000 2.285 394 R HA 0.013 4.474 4.340 0.202 0.000 0.213 394 R C 1.715 178.192 176.300 0.295 0.000 1.068 394 R CA 1.320 57.648 56.100 0.380 0.000 1.004 394 R CB -0.529 29.947 30.300 0.294 0.000 0.873 394 R HN 0.481 nan 8.270 nan 0.000 0.467 395 R N 0.723 121.328 120.500 0.175 0.000 2.092 395 R HA -0.087 4.375 4.340 0.202 0.000 0.231 395 R C 1.989 178.327 176.300 0.063 0.000 1.119 395 R CA 1.509 57.681 56.100 0.120 0.000 0.970 395 R CB -0.294 30.052 30.300 0.077 0.000 0.864 395 R HN 0.497 nan 8.270 nan 0.000 0.440 396 E N 0.187 120.359 120.200 -0.046 0.000 2.219 396 E HA -0.189 4.283 4.350 0.202 0.000 0.198 396 E C 0.465 176.740 176.600 -0.542 0.000 0.998 396 E CA 1.124 57.318 56.400 -0.344 0.000 0.818 396 E CB 0.087 29.434 29.700 -0.588 0.000 0.741 396 E HN 0.263 nan 8.360 nan 0.000 0.477 397 F N -0.364 119.641 119.950 0.091 0.000 2.664 397 F HA 0.251 4.899 4.527 0.203 0.000 0.303 397 F C -0.091 175.791 175.800 0.137 0.000 1.092 397 F CA -0.154 57.890 58.000 0.073 0.000 1.305 397 F CB 0.796 39.835 39.000 0.065 0.000 1.054 397 F HN -0.148 nan 8.300 nan 0.000 0.565 398 D N 0.804 121.354 120.400 0.249 0.000 2.584 398 D HA 0.441 5.202 4.640 0.202 0.000 0.238 398 D C -0.675 175.747 176.300 0.203 0.000 1.302 398 D CA 0.064 54.213 54.000 0.249 0.000 0.884 398 D CB 0.511 41.453 40.800 0.238 0.000 1.456 398 D HN 0.046 nan 8.370 nan 0.000 0.528 399 A N 3.444 126.383 122.820 0.199 0.000 3.150 399 A HA 0.420 4.861 4.320 0.202 0.000 0.328 399 A C -1.584 175.990 177.584 -0.016 0.000 1.104 399 A CA -0.943 51.128 52.037 0.057 0.000 0.937 399 A CB 0.468 19.467 19.000 -0.002 0.000 1.073 399 A HN 0.347 nan 8.150 nan 0.000 0.497 400 P HA -0.135 nan 4.420 nan 0.000 0.228 400 P C 1.475 178.621 177.300 -0.256 0.000 1.151 400 P CA 1.677 64.869 63.100 0.153 0.000 0.770 400 P CB 0.173 32.079 31.700 0.344 0.000 0.786 401 G N 0.637 109.291 108.800 -0.243 0.000 2.394 401 G HA2 -0.152 3.929 3.960 0.202 0.000 0.214 401 G HA3 -0.152 3.929 3.960 0.202 0.000 0.214 401 G C 1.503 176.028 174.900 -0.624 0.000 1.176 401 G CA 0.253 45.112 45.100 -0.401 0.000 0.786 401 G HN 0.111 nan 8.290 nan 0.000 0.533 402 I N 1.036 121.227 120.570 -0.633 0.000 2.315 402 I HA -0.079 4.213 4.170 0.202 0.000 0.248 402 I C 2.454 178.148 176.117 -0.704 0.000 1.117 402 I CA 0.957 61.774 61.300 -0.805 0.000 1.404 402 I CB -1.317 35.963 38.000 -1.200 0.000 1.071 402 I HN 0.203 nan 8.210 nan 0.000 0.419 403 H N 0.268 119.001 119.070 -0.561 0.000 2.326 403 H HA -0.067 4.610 4.556 0.201 0.000 0.301 403 H C 1.709 176.503 175.328 -0.891 0.000 1.081 403 H CA 1.570 57.172 56.048 -0.743 0.000 1.334 403 H CB -0.218 28.931 29.762 -1.023 0.000 1.385 403 H HN 0.350 nan 8.280 nan 0.000 0.504 404 F N -1.646 117.980 119.950 -0.540 0.000 2.746 404 F HA 0.351 4.997 4.527 0.199 0.000 0.320 404 F C 2.219 177.566 175.800 -0.756 0.000 1.097 404 F CA 0.157 57.777 58.000 -0.634 0.000 1.195 404 F CB 0.130 38.653 39.000 -0.794 0.000 1.056 404 F HN 0.032 nan 8.300 nan 0.000 0.562 405 G N -0.577 107.748 108.800 -0.791 0.000 2.813 405 G HA2 -0.044 4.038 3.960 0.202 0.000 0.209 405 G HA3 -0.044 4.038 3.960 0.202 0.000 0.209 405 G C 0.408 175.128 174.900 -0.301 0.000 1.150 405 G CA -0.045 44.737 45.100 -0.530 0.000 0.785 405 G HN 0.238 nan 8.290 nan 0.000 0.535 406 H N 1.043 120.010 119.070 -0.172 0.000 3.004 406 H HA 0.177 4.853 4.556 0.199 0.000 0.316 406 H C -0.214 175.003 175.328 -0.184 0.000 1.014 406 H CA 0.617 56.584 56.048 -0.136 0.000 1.454 406 H CB 0.645 30.337 29.762 -0.117 0.000 1.472 406 H HN -0.091 nan 8.280 nan 0.000 0.571 407 T N 4.878 119.425 114.554 -0.012 0.000 2.792 407 T HA 0.238 4.710 4.350 0.202 0.000 0.280 407 T C -0.365 174.372 174.700 0.062 0.000 0.990 407 T CA -0.696 61.375 62.100 -0.049 0.000 0.960 407 T CB 0.441 69.314 68.868 0.008 0.000 0.939 407 T HN 0.249 nan 8.240 nan 0.000 0.439 408 Y N 1.979 122.379 120.300 0.165 0.000 2.316 408 Y HA 0.510 5.171 4.550 0.185 0.000 0.331 408 Y C 0.883 176.841 175.900 0.097 0.000 1.083 408 Y CA -1.417 56.758 58.100 0.124 0.000 1.206 408 Y CB 0.602 39.147 38.460 0.141 0.000 1.195 408 Y HN 0.377 nan 8.280 nan 0.000 0.497 409 R N 1.535 122.176 120.500 0.237 0.000 2.860 409 R HA 0.344 4.806 4.340 0.202 0.000 0.282 409 R C -0.363 176.006 176.300 0.114 0.000 1.408 409 R CA -0.438 55.749 56.100 0.145 0.000 1.636 409 R CB 0.238 30.597 30.300 0.100 0.000 1.187 409 R HN 0.736 nan 8.270 nan 0.000 0.611 410 S N -1.756 114.020 115.700 0.127 0.000 2.776 410 S HA 0.309 4.900 4.470 0.202 0.000 0.306 410 S C 0.950 175.603 174.600 0.088 0.000 1.114 410 S CA -0.285 57.964 58.200 0.081 0.000 0.973 410 S CB 1.411 64.644 63.200 0.055 0.000 1.250 410 S HN 0.240 nan 8.310 nan 0.000 0.549 411 S N -0.202 115.540 115.700 0.070 0.000 2.603 411 S HA 0.128 4.719 4.470 0.202 0.000 0.220 411 S C 1.208 175.870 174.600 0.102 0.000 0.967 411 S CA 0.266 58.511 58.200 0.074 0.000 0.920 411 S CB -1.056 62.174 63.200 0.050 0.000 0.773 411 S HN 0.824 nan 8.310 nan 0.000 0.529 412 I N -1.879 118.772 120.570 0.134 0.000 3.936 412 I HA 0.526 4.818 4.170 0.202 0.000 0.330 412 I C -0.759 175.496 176.117 0.230 0.000 1.509 412 I CA -0.584 60.828 61.300 0.185 0.000 1.126 412 I CB 0.737 38.871 38.000 0.223 0.000 1.115 412 I HN -0.046 nan 8.210 nan 0.000 0.424 413 V N 1.470 121.506 119.914 0.203 0.000 2.525 413 V HA 0.238 4.479 4.120 0.202 0.000 0.299 413 V C -0.098 176.112 176.094 0.193 0.000 1.034 413 V CA -0.557 61.877 62.300 0.224 0.000 0.863 413 V CB 1.664 33.627 31.823 0.234 0.000 0.999 413 V HN 0.343 nan 8.190 nan 0.000 0.423 414 C N 5.529 124.963 119.300 0.224 0.000 2.423 414 C HA 0.458 5.039 4.460 0.202 0.000 0.378 414 C C 1.495 176.575 174.990 0.149 0.000 1.068 414 C CA -0.556 58.590 59.018 0.213 0.000 1.371 414 C CB -1.475 26.474 27.740 0.349 0.000 1.856 414 C HN 1.031 nan 8.230 nan 0.000 0.523 415 G N 2.762 111.632 108.800 0.117 0.000 2.667 415 G HA2 0.370 4.452 3.960 0.202 0.000 0.250 415 G HA3 0.370 4.452 3.960 0.202 0.000 0.250 415 G C -0.399 174.533 174.900 0.053 0.000 1.212 415 G CA -0.244 44.905 45.100 0.081 0.000 0.874 415 G HN 0.781 nan 8.290 nan 0.000 0.561 416 E N 0.226 120.443 120.200 0.029 0.000 2.227 416 E HA 0.339 4.810 4.350 0.202 0.000 0.268 416 E C -1.814 174.794 176.600 0.012 0.000 0.907 416 E CA -1.270 55.136 56.400 0.010 0.000 0.786 416 E CB 1.039 30.729 29.700 -0.018 0.000 1.191 416 E HN 0.370 nan 8.360 nan 0.000 0.411 423 T N 0.819 115.346 114.554 -0.045 0.000 3.449 423 T HA 0.435 4.906 4.350 0.202 0.000 0.387 423 T C 1.251 175.941 174.700 -0.016 0.000 1.222 423 T CA 0.478 62.559 62.100 -0.032 0.000 1.008 423 T CB 0.108 68.952 68.868 -0.040 0.000 1.688 423 T HN 1.434 nan 8.240 nan 0.000 0.542 424 G N -0.191 108.603 108.800 -0.009 0.000 2.621 424 G HA2 0.486 4.568 3.960 0.202 0.000 0.306 424 G HA3 0.486 4.568 3.960 0.202 0.000 0.306 424 G C 0.290 175.202 174.900 0.019 0.000 0.893 424 G CA 0.142 45.247 45.100 0.008 0.000 1.486 424 G HN 1.051 nan 8.290 nan 0.000 0.477 425 G N 1.369 110.190 108.800 0.035 0.000 2.640 425 G HA2 0.007 4.088 3.960 0.202 0.000 0.686 425 G HA3 0.007 4.088 3.960 0.202 0.000 0.686 425 G C -0.470 174.472 174.900 0.069 0.000 1.229 425 G CA -0.680 44.463 45.100 0.072 0.000 0.796 425 G HN 0.970 nan 8.290 nan 0.000 0.654 426 W N 3.278 124.539 121.300 -0.065 0.000 2.210 426 W HA 0.694 5.471 4.660 0.196 0.000 0.330 426 W C 0.522 176.935 176.519 -0.176 0.000 1.334 426 W CA -0.260 57.017 57.345 -0.114 0.000 1.227 426 W CB 0.513 29.906 29.460 -0.111 0.000 1.178 426 W HN 0.613 nan 8.180 nan 0.000 0.560 427 R N 6.257 126.019 120.500 -1.230 0.000 2.561 427 R HA 0.318 4.779 4.340 0.202 0.000 0.297 427 R C -2.347 172.919 176.300 -1.723 0.000 0.969 427 R CA -1.996 53.357 56.100 -1.245 0.000 0.879 427 R CB 1.485 31.425 30.300 -0.599 0.000 1.178 427 R HN 0.236 nan 8.270 nan 0.000 0.445 428 P HA -0.091 nan 4.420 nan 0.000 0.260 428 P C -0.894 176.060 177.300 -0.577 0.000 1.172 428 P CA 0.570 63.072 63.100 -0.998 0.000 0.760 428 P CB 0.669 32.043 31.700 -0.544 0.000 0.773 429 S N 2.401 117.878 115.700 -0.371 0.000 2.547 429 S HA 0.642 5.233 4.470 0.202 0.000 0.281 429 S C 0.078 174.517 174.600 -0.268 0.000 1.118 429 S CA -0.432 57.595 58.200 -0.289 0.000 0.947 429 S CB 1.082 64.146 63.200 -0.226 0.000 1.053 429 S HN 0.308 nan 8.310 nan 0.000 0.482 430 A N 4.043 126.675 122.820 -0.314 0.000 2.507 430 A HA 0.331 4.773 4.320 0.202 0.000 0.270 430 A C 0.785 178.256 177.584 -0.188 0.000 1.318 430 A CA -0.403 51.427 52.037 -0.346 0.000 0.924 430 A CB -0.202 18.467 19.000 -0.552 0.000 1.061 430 A HN 0.763 nan 8.150 nan 0.000 0.516 431 R N 0.761 121.170 120.500 -0.152 0.000 2.641 431 R HA 0.235 4.696 4.340 0.202 0.000 0.269 431 R C -2.738 173.522 176.300 -0.067 0.000 1.074 431 R CA -1.330 54.709 56.100 -0.102 0.000 1.133 431 R CB 0.141 30.389 30.300 -0.086 0.000 1.029 431 R HN -0.005 nan 8.270 nan 0.000 0.488 432 P HA -0.042 nan 4.420 nan 0.000 0.263 432 P C 0.117 177.454 177.300 0.060 0.000 1.175 432 P CA 1.541 64.659 63.100 0.030 0.000 0.761 432 P CB 0.532 32.259 31.700 0.044 0.000 0.794 433 G N 1.243 110.116 108.800 0.121 0.000 2.205 433 G HA2 -0.178 3.904 3.960 0.202 0.000 0.261 433 G HA3 -0.178 3.904 3.960 0.202 0.000 0.261 433 G C 0.400 175.317 174.900 0.028 0.000 0.980 433 G CA 0.116 45.322 45.100 0.177 0.000 0.632 433 G HN 0.866 nan 8.290 nan 0.000 0.533 434 A N -0.271 122.495 122.820 -0.090 0.000 2.269 434 A HA 0.837 5.278 4.320 0.202 0.000 0.327 434 A C 0.601 177.849 177.584 -0.561 0.000 1.112 434 A CA 0.285 52.154 52.037 -0.281 0.000 0.865 434 A CB 0.625 19.533 19.000 -0.154 0.000 1.227 434 A HN 0.922 nan 8.150 nan 0.000 0.498 435 R N 1.116 121.172 120.500 -0.739 0.000 2.370 435 R HA 0.412 4.874 4.340 0.202 0.000 0.309 435 R C 0.131 176.272 176.300 -0.265 0.000 1.059 435 R CA 0.164 55.870 56.100 -0.656 0.000 0.981 435 R CB 0.233 30.311 30.300 -0.370 0.000 0.972 435 R HN 0.836 nan 8.270 nan 0.000 0.437 436 A N 7.660 130.355 122.820 -0.207 0.000 2.545 436 A HA 0.183 4.624 4.320 0.202 0.000 0.253 436 A C -1.908 175.684 177.584 0.012 0.000 1.074 436 A CA -1.080 50.887 52.037 -0.117 0.000 0.760 436 A CB -0.233 18.736 19.000 -0.052 0.000 1.005 436 A HN 0.702 nan 8.150 nan 0.000 0.506 437 P HA 0.009 nan 4.420 nan 0.000 0.269 437 P C -0.470 176.900 177.300 0.117 0.000 1.215 437 P CA 0.219 63.283 63.100 -0.060 0.000 0.780 437 P CB 0.467 32.021 31.700 -0.244 0.000 0.898 438 H N 1.321 120.381 119.070 -0.017 0.000 2.511 438 H HA 0.607 5.284 4.556 0.201 0.000 0.346 438 H C -0.984 174.282 175.328 -0.104 0.000 1.128 438 H CA -0.227 55.767 56.048 -0.089 0.000 1.342 438 H CB 0.651 30.290 29.762 -0.205 0.000 1.470 438 H HN 0.661 nan 8.280 nan 0.000 0.546 439 A N 3.668 125.816 122.820 -1.119 0.000 2.599 439 A HA 0.316 4.758 4.320 0.202 0.000 0.294 439 A C -1.955 175.214 177.584 -0.692 0.000 1.055 439 A CA -0.845 50.673 52.037 -0.864 0.000 0.683 439 A CB 0.424 19.274 19.000 -0.250 0.000 1.278 439 A HN 0.715 nan 8.150 nan 0.000 0.412 440 W N 2.256 123.400 121.300 -0.260 0.000 2.331 440 W HA 0.500 5.284 4.660 0.206 0.000 0.306 440 W C 0.928 177.415 176.519 -0.052 0.000 1.162 440 W CA -0.285 57.022 57.345 -0.063 0.000 1.232 440 W CB 1.154 30.617 29.460 0.004 0.000 1.235 440 W HN 0.619 nan 8.180 nan 0.000 0.479 441 L N 2.201 123.547 121.223 0.205 0.000 2.209 441 L HA 0.104 4.565 4.340 0.202 0.000 0.207 441 L C 0.773 177.716 176.870 0.122 0.000 1.094 441 L CA 1.054 55.957 54.840 0.104 0.000 0.790 441 L CB -0.365 41.721 42.059 0.044 0.000 0.932 441 L HN 0.321 nan 8.230 nan 0.000 0.447 442 T N -2.133 112.531 114.554 0.182 0.000 2.894 442 T HA 0.241 4.713 4.350 0.202 0.000 0.309 442 T C -2.195 172.540 174.700 0.058 0.000 1.208 442 T CA -0.818 61.340 62.100 0.096 0.000 1.016 442 T CB 2.237 71.142 68.868 0.062 0.000 1.192 442 T HN -0.349 nan 8.240 nan 0.000 0.491 443 P HA -0.085 nan 4.420 nan 0.000 0.220 443 P C 1.200 178.161 177.300 -0.565 0.000 1.144 443 P CA 1.154 64.008 63.100 -0.410 0.000 0.800 443 P CB 0.283 31.815 31.700 -0.281 0.000 0.772 444 T N -3.035 111.401 114.554 -0.197 0.000 3.001 444 T HA 0.088 4.559 4.350 0.202 0.000 0.251 444 T C 0.317 175.135 174.700 0.198 0.000 1.040 444 T CA 0.342 62.394 62.100 -0.080 0.000 0.985 444 T CB -0.313 68.533 68.868 -0.038 0.000 1.011 444 T HN 0.109 nan 8.240 nan 0.000 0.509 445 T N 0.114 114.856 114.554 0.314 0.000 2.841 445 T HA 0.671 5.143 4.350 0.202 0.000 0.285 445 T C -0.321 174.637 174.700 0.429 0.000 0.991 445 T CA -0.641 61.654 62.100 0.324 0.000 0.966 445 T CB 1.673 70.624 68.868 0.138 0.000 0.962 445 T HN 0.059 nan 8.240 nan 0.000 0.438 446 S N 2.126 117.962 115.700 0.226 0.000 2.690 446 S HA 0.447 5.039 4.470 0.202 0.000 0.291 446 S C 1.765 176.299 174.600 -0.110 0.000 1.138 446 S CA 0.059 58.230 58.200 -0.049 0.000 1.013 446 S CB 0.989 64.012 63.200 -0.296 0.000 1.053 446 S HN 0.995 nan 8.310 nan 0.000 0.539 447 T N 1.909 116.369 114.554 -0.157 0.000 2.759 447 T HA -0.112 4.359 4.350 0.202 0.000 0.269 447 T C 1.696 176.076 174.700 -0.533 0.000 1.042 447 T CA 1.230 63.167 62.100 -0.271 0.000 1.140 447 T CB -0.582 68.226 68.868 -0.100 0.000 0.864 447 T HN 0.431 nan 8.240 nan 0.000 0.455 448 L N 1.928 122.988 121.223 -0.270 0.000 2.261 448 L HA -0.029 4.432 4.340 0.202 0.000 0.216 448 L C 2.041 178.746 176.870 -0.275 0.000 1.114 448 L CA 1.410 56.118 54.840 -0.220 0.000 0.777 448 L CB -0.737 41.298 42.059 -0.039 0.000 0.910 448 L HN 0.262 nan 8.230 nan 0.000 0.440 449 D N -0.955 119.302 120.400 -0.240 0.000 2.371 449 D HA -0.056 4.705 4.640 0.202 0.000 0.221 449 D C 2.178 178.351 176.300 -0.211 0.000 0.986 449 D CA 0.678 54.584 54.000 -0.157 0.000 0.899 449 D CB 0.200 40.959 40.800 -0.067 0.000 0.902 449 D HN 0.348 nan 8.370 nan 0.000 0.530 450 L N -0.456 120.504 121.223 -0.438 0.000 2.375 450 L HA 0.055 4.516 4.340 0.202 0.000 0.215 450 L C 0.360 177.076 176.870 -0.256 0.000 1.108 450 L CA 0.293 54.885 54.840 -0.413 0.000 0.830 450 L CB 0.026 41.739 42.059 -0.577 0.000 0.959 450 L HN -0.146 nan 8.230 nan 0.000 0.457 451 F N -0.627 119.304 119.950 -0.031 0.000 2.408 451 F HA 0.637 5.295 4.527 0.218 0.000 0.325 451 F C 1.243 177.010 175.800 -0.055 0.000 1.082 451 F CA -0.902 57.068 58.000 -0.051 0.000 1.032 451 F CB 0.652 39.622 39.000 -0.051 0.000 1.259 451 F HN -0.077 nan 8.300 nan 0.000 0.503 452 G N 0.314 109.199 108.800 0.141 0.000 2.480 452 G HA2 -0.160 3.922 3.960 0.202 0.000 0.193 452 G HA3 -0.160 3.922 3.960 0.202 0.000 0.193 452 G C 0.947 175.902 174.900 0.092 0.000 1.004 452 G CA -0.145 44.998 45.100 0.072 0.000 0.696 452 G HN 0.570 nan 8.290 nan 0.000 0.478 453 R N 0.329 120.880 120.500 0.086 0.000 1.758 453 R HA 0.555 5.016 4.340 0.202 0.000 0.141 453 R C 1.803 178.150 176.300 0.079 0.000 2.075 453 R CA 0.314 56.478 56.100 0.107 0.000 1.687 453 R CB -0.523 29.838 30.300 0.103 0.000 1.239 453 R HN 0.287 nan 8.270 nan 0.000 0.477 454 G N 0.332 109.167 108.800 0.058 0.000 2.641 454 G HA2 0.367 4.449 3.960 0.202 0.000 0.239 454 G HA3 0.367 4.449 3.960 0.202 0.000 0.239 454 G C -0.692 174.183 174.900 -0.043 0.000 1.402 454 G CA -0.683 44.441 45.100 0.041 0.000 1.046 454 G HN 0.046 nan 8.290 nan 0.000 0.565 455 F N -1.205 118.681 119.950 -0.108 0.000 2.380 455 F HA 0.504 5.139 4.527 0.181 0.000 0.325 455 F C 0.498 176.202 175.800 -0.159 0.000 1.136 455 F CA 0.049 57.966 58.000 -0.138 0.000 1.171 455 F CB 1.819 40.727 39.000 -0.153 0.000 1.230 455 F HN 0.009 nan 8.300 nan 0.000 0.554 456 V N 3.411 123.369 119.914 0.073 0.000 2.709 456 V HA 0.352 4.593 4.120 0.202 0.000 0.308 456 V C -1.253 174.846 176.094 0.008 0.000 1.062 456 V CA -0.844 61.478 62.300 0.037 0.000 0.901 456 V CB 2.055 33.992 31.823 0.189 0.000 1.003 456 V HN 0.467 nan 8.190 nan 0.000 0.425 457 L N 5.917 127.102 121.223 -0.062 0.000 2.280 457 L HA 0.600 5.061 4.340 0.202 0.000 0.287 457 L C -0.784 176.038 176.870 -0.080 0.000 1.023 457 L CA 0.112 54.919 54.840 -0.055 0.000 0.819 457 L CB 1.043 43.030 42.059 -0.120 0.000 1.212 457 L HN 0.572 nan 8.230 nan 0.000 0.420 458 L N 4.617 125.780 121.223 -0.100 0.000 2.265 458 L HA 0.455 4.917 4.340 0.202 0.000 0.288 458 L C -0.049 176.542 176.870 -0.465 0.000 1.058 458 L CA -0.069 54.557 54.840 -0.356 0.000 0.809 458 L CB 1.225 42.997 42.059 -0.478 0.000 1.179 458 L HN 0.646 nan 8.230 nan 0.000 0.429 459 S N 2.948 118.333 115.700 -0.525 0.000 2.530 459 S HA 0.392 4.983 4.470 0.202 0.000 0.322 459 S C 0.263 174.474 174.600 -0.648 0.000 1.085 459 S CA -0.541 57.402 58.200 -0.428 0.000 1.096 459 S CB 0.922 64.055 63.200 -0.111 0.000 0.988 459 S HN 0.371 nan 8.310 nan 0.000 0.466 460 F N 1.584 121.292 119.950 -0.402 0.000 2.317 460 F HA 0.283 4.930 4.527 0.199 0.000 0.290 460 F C 2.032 177.676 175.800 -0.261 0.000 1.075 460 F CA 0.475 58.205 58.000 -0.450 0.000 1.380 460 F CB -0.563 37.867 39.000 -0.949 0.000 1.093 460 F HN 0.657 nan 8.300 nan 0.000 0.524 461 G N -0.930 107.816 108.800 -0.091 0.000 3.380 461 G HA2 0.140 4.222 3.960 0.202 0.000 0.188 461 G HA3 0.140 4.222 3.960 0.202 0.000 0.188 461 G C -0.049 174.858 174.900 0.012 0.000 1.892 461 G CA 0.237 45.347 45.100 0.016 0.000 0.912 461 G HN 0.081 nan 8.290 nan 0.000 0.609 462 T N 0.078 114.634 114.554 0.004 0.000 2.940 462 T HA 0.314 4.786 4.350 0.202 0.000 0.309 462 T C 1.154 175.910 174.700 0.093 0.000 1.056 462 T CA 0.852 62.986 62.100 0.057 0.000 1.137 462 T CB 0.576 69.488 68.868 0.072 0.000 0.976 462 T HN 0.628 nan 8.240 nan 0.000 0.547 463 T N 1.250 115.858 114.554 0.090 0.000 3.260 463 T HA 0.266 4.738 4.350 0.202 0.000 0.254 463 T C -0.130 174.614 174.700 0.074 0.000 0.951 463 T CA -0.771 61.380 62.100 0.086 0.000 0.918 463 T CB -0.270 68.624 68.868 0.044 0.000 1.098 463 T HN 0.605 nan 8.240 nan 0.000 0.563 464 D N 0.464 120.923 120.400 0.097 0.000 2.232 464 D HA 0.515 5.276 4.640 0.202 0.000 0.242 464 D C 1.291 177.619 176.300 0.046 0.000 1.093 464 D CA 0.748 54.789 54.000 0.068 0.000 0.845 464 D CB 0.471 41.318 40.800 0.079 0.000 1.124 464 D HN 0.333 nan 8.370 nan 0.000 0.467 465 G N 2.131 110.935 108.800 0.006 0.000 2.157 465 G HA2 -0.251 3.831 3.960 0.202 0.000 0.239 465 G HA3 -0.251 3.831 3.960 0.202 0.000 0.239 465 G C 0.958 175.806 174.900 -0.087 0.000 0.982 465 G CA 0.251 45.331 45.100 -0.033 0.000 0.650 465 G HN 0.498 nan 8.290 nan 0.000 0.527 466 V N 0.238 120.111 119.914 -0.068 0.000 2.599 466 V HA 0.075 4.317 4.120 0.202 0.000 0.245 466 V C 2.329 178.383 176.094 -0.068 0.000 1.046 466 V CA 2.287 64.534 62.300 -0.088 0.000 1.065 466 V CB 0.298 32.089 31.823 -0.054 0.000 0.703 466 V HN 0.560 nan 8.190 nan 0.000 0.464 467 E N 0.666 120.840 120.200 -0.044 0.000 2.204 467 E HA -0.179 4.293 4.350 0.202 0.000 0.194 467 E C 2.129 178.707 176.600 -0.036 0.000 0.989 467 E CA 1.169 57.547 56.400 -0.036 0.000 0.824 467 E CB -0.062 29.624 29.700 -0.024 0.000 0.756 467 E HN 0.579 nan 8.360 nan 0.000 0.477 468 A N 0.203 122.999 122.820 -0.041 0.000 1.968 468 A HA -0.051 4.391 4.320 0.202 0.000 0.217 468 A C 2.267 179.828 177.584 -0.038 0.000 1.169 468 A CA 0.817 52.829 52.037 -0.041 0.000 0.638 468 A CB -0.195 18.779 19.000 -0.045 0.000 0.812 468 A HN 0.201 nan 8.150 nan 0.000 0.446 469 V N -0.347 119.540 119.914 -0.044 0.000 2.379 469 V HA -0.178 4.063 4.120 0.202 0.000 0.245 469 V C 2.660 178.804 176.094 0.083 0.000 1.044 469 V CA 2.335 64.638 62.300 0.005 0.000 1.036 469 V CB -1.173 30.610 31.823 -0.067 0.000 0.664 469 V HN 0.564 nan 8.190 nan 0.000 0.453 470 T N -0.186 114.363 114.554 -0.009 0.000 2.849 470 T HA -0.257 4.215 4.350 0.202 0.000 0.270 470 T C 2.032 176.743 174.700 0.019 0.000 1.066 470 T CA 1.857 63.948 62.100 -0.015 0.000 1.130 470 T CB -0.220 68.619 68.868 -0.048 0.000 0.864 470 T HN 0.319 nan 8.240 nan 0.000 0.481 471 R N 1.394 121.894 120.500 0.001 0.000 2.062 471 R HA 0.195 4.656 4.340 0.202 0.000 0.229 471 R C 2.510 178.786 176.300 -0.039 0.000 1.128 471 R CA 1.455 57.540 56.100 -0.026 0.000 0.960 471 R CB -0.934 29.345 30.300 -0.036 0.000 0.855 471 R HN 0.281 nan 8.270 nan 0.000 0.432 472 A N 0.140 122.939 122.820 -0.036 0.000 1.859 472 A HA -0.185 4.256 4.320 0.202 0.000 0.217 472 A C 2.127 179.592 177.584 -0.199 0.000 1.198 472 A CA 1.840 53.800 52.037 -0.128 0.000 0.629 472 A CB -1.086 17.812 19.000 -0.170 0.000 0.830 472 A HN 0.395 nan 8.150 nan 0.000 0.446 473 F N 0.131 119.972 119.950 -0.181 0.000 2.126 473 F HA -0.170 4.470 4.527 0.189 0.000 0.299 473 F C 2.840 178.519 175.800 -0.202 0.000 1.096 473 F CA 1.255 59.130 58.000 -0.208 0.000 1.255 473 F CB -0.673 38.192 39.000 -0.225 0.000 0.997 473 F HN 0.268 nan 8.300 nan 0.000 0.479 474 A N -0.226 122.580 122.820 -0.023 0.000 1.933 474 A HA -0.203 4.239 4.320 0.202 0.000 0.218 474 A C 1.815 179.216 177.584 -0.305 0.000 1.175 474 A CA 2.048 54.001 52.037 -0.141 0.000 0.628 474 A CB -0.915 18.023 19.000 -0.104 0.000 0.814 474 A HN 0.311 nan 8.150 nan 0.000 0.444 475 D N -0.946 119.321 120.400 -0.222 0.000 2.218 475 D HA -0.070 4.692 4.640 0.202 0.000 0.204 475 D C 1.742 177.927 176.300 -0.192 0.000 0.976 475 D CA 0.982 54.850 54.000 -0.220 0.000 0.853 475 D CB -0.051 40.670 40.800 -0.132 0.000 0.939 475 D HN 0.253 nan 8.370 nan 0.000 0.481 476 R N -0.985 119.422 120.500 -0.154 0.000 2.362 476 R HA 0.204 4.666 4.340 0.202 0.000 0.227 476 R C -0.347 176.033 176.300 0.134 0.000 0.905 476 R CA -0.110 55.988 56.100 -0.003 0.000 1.067 476 R CB -0.348 29.909 30.300 -0.071 0.000 1.078 476 R HN 0.198 nan 8.270 nan 0.000 0.516 477 H N -2.487 116.578 119.070 -0.008 0.000 2.839 477 H HA -0.133 4.544 4.556 0.201 0.000 0.298 477 H C -0.916 174.333 175.328 -0.132 0.000 1.224 477 H CA 0.531 56.578 56.048 -0.002 0.000 1.144 477 H CB -1.804 28.006 29.762 0.081 0.000 1.372 477 H HN -0.097 nan 8.280 nan 0.000 0.408 478 V N 2.444 122.267 119.914 -0.152 0.000 2.385 478 V HA 0.225 4.467 4.120 0.202 0.000 0.269 478 V C -1.442 174.488 176.094 -0.273 0.000 1.043 478 V CA -1.448 60.579 62.300 -0.456 0.000 0.906 478 V CB 1.135 32.783 31.823 -0.293 0.000 0.995 478 V HN 0.129 nan 8.190 nan 0.000 0.467 479 P HA 0.217 nan 4.420 nan 0.000 0.265 479 P C -0.902 176.355 177.300 -0.071 0.000 1.193 479 P CA -0.075 62.929 63.100 -0.159 0.000 0.765 479 P CB 1.508 33.141 31.700 -0.111 0.000 0.823 480 L N 1.975 123.138 121.223 -0.099 0.000 2.505 480 L HA 0.494 4.955 4.340 0.202 0.000 0.259 480 L C -1.112 175.668 176.870 -0.150 0.000 0.952 480 L CA -0.423 54.293 54.840 -0.206 0.000 0.840 480 L CB 2.481 44.193 42.059 -0.578 0.000 1.358 480 L HN 0.301 nan 8.230 nan 0.000 0.409 481 E N 1.083 121.206 120.200 -0.128 0.000 2.288 481 E HA 0.740 5.211 4.350 0.202 0.000 0.268 481 E C -1.275 175.259 176.600 -0.110 0.000 0.885 481 E CA -0.798 55.548 56.400 -0.089 0.000 0.767 481 E CB 2.192 31.868 29.700 -0.040 0.000 1.220 481 E HN 0.664 nan 8.360 nan 0.000 0.427 482 T N -1.377 113.116 114.554 -0.101 0.000 2.824 482 T HA 0.645 5.116 4.350 0.202 0.000 0.282 482 T C -0.579 174.057 174.700 -0.107 0.000 0.993 482 T CA -0.764 61.270 62.100 -0.110 0.000 0.967 482 T CB 0.992 69.794 68.868 -0.111 0.000 0.960 482 T HN 0.134 nan 8.240 nan 0.000 0.441 483 V N 2.811 122.643 119.914 -0.136 0.000 2.540 483 V HA 0.569 4.811 4.120 0.202 0.000 0.302 483 V C 0.051 175.999 176.094 -0.245 0.000 1.035 483 V CA -0.805 61.394 62.300 -0.169 0.000 0.873 483 V CB 2.133 33.851 31.823 -0.174 0.000 0.992 483 V HN 1.110 nan 8.190 nan 0.000 0.428 484 T N 3.300 117.708 114.554 -0.244 0.000 2.756 484 T HA 0.321 4.792 4.350 0.202 0.000 0.290 484 T C -0.479 173.956 174.700 -0.441 0.000 0.985 484 T CA -0.192 61.703 62.100 -0.341 0.000 0.955 484 T CB 0.855 69.559 68.868 -0.272 0.000 0.930 484 T HN 0.777 nan 8.240 nan 0.000 0.451 485 C N 5.146 124.152 119.300 -0.489 0.000 2.322 485 C HA 0.435 5.016 4.460 0.202 0.000 0.324 485 C C 0.782 175.621 174.990 -0.252 0.000 1.284 485 C CA -0.605 58.221 59.018 -0.320 0.000 1.606 485 C CB -0.387 27.250 27.740 -0.171 0.000 2.251 485 C HN 0.971 nan 8.230 nan 0.000 0.502 486 H N 3.646 122.749 119.070 0.055 0.000 2.505 486 H HA 0.292 4.971 4.556 0.204 0.000 0.286 486 H C 0.748 176.122 175.328 0.077 0.000 1.072 486 H CA 0.340 56.430 56.048 0.070 0.000 1.141 486 H CB 0.061 29.844 29.762 0.035 0.000 1.550 486 H HN 0.752 nan 8.280 nan 0.000 0.547 487 A N 3.005 125.921 122.820 0.161 0.000 2.269 487 A HA 0.292 4.733 4.320 0.202 0.000 0.302 487 A C -1.140 176.496 177.584 0.087 0.000 1.266 487 A CA -1.269 50.832 52.037 0.107 0.000 0.894 487 A CB 1.048 20.092 19.000 0.075 0.000 1.147 487 A HN 0.036 nan 8.150 nan 0.000 0.537 488 P HA -0.186 nan 4.420 nan 0.000 0.217 488 P C 0.960 178.237 177.300 -0.039 0.000 1.151 488 P CA 1.298 64.408 63.100 0.016 0.000 0.828 488 P CB 0.216 31.915 31.700 -0.002 0.000 0.788 489 E N 0.969 121.153 120.200 -0.026 0.000 2.097 489 E HA -0.177 4.294 4.350 0.202 0.000 0.196 489 E C 2.266 178.832 176.600 -0.057 0.000 1.000 489 E CA 1.215 57.593 56.400 -0.038 0.000 0.804 489 E CB -1.447 28.245 29.700 -0.014 0.000 0.740 489 E HN 0.350 nan 8.360 nan 0.000 0.454 490 I N 0.898 121.434 120.570 -0.058 0.000 2.353 490 I HA -0.192 4.099 4.170 0.202 0.000 0.248 490 I C 2.831 178.744 176.117 -0.340 0.000 1.119 490 I CA 1.043 62.294 61.300 -0.081 0.000 1.417 490 I CB -0.524 37.471 38.000 -0.009 0.000 1.078 490 I HN 0.121 nan 8.210 nan 0.000 0.421 491 H N 1.942 120.595 119.070 -0.695 0.000 2.319 491 H HA -0.144 4.533 4.556 0.202 0.000 0.299 491 H C 2.184 177.177 175.328 -0.559 0.000 1.092 491 H CA 1.844 57.212 56.048 -1.133 0.000 1.302 491 H CB -0.078 29.311 29.762 -0.621 0.000 1.373 491 H HN 0.296 nan 8.280 nan 0.000 0.497 492 A N 0.861 123.569 122.820 -0.186 0.000 1.933 492 A HA -0.131 4.310 4.320 0.202 0.000 0.218 492 A C 2.593 180.115 177.584 -0.103 0.000 1.175 492 A CA 1.559 53.500 52.037 -0.161 0.000 0.628 492 A CB -0.892 18.024 19.000 -0.140 0.000 0.814 492 A HN 0.425 nan 8.150 nan 0.000 0.444 493 L N -1.652 119.531 121.223 -0.066 0.000 2.017 493 L HA -0.108 4.354 4.340 0.202 0.000 0.208 493 L C 2.121 178.970 176.870 -0.034 0.000 1.073 493 L CA 1.922 56.741 54.840 -0.035 0.000 0.745 493 L CB -0.937 41.146 42.059 0.040 0.000 0.894 493 L HN 0.447 nan 8.230 nan 0.000 0.432 494 Y N 0.609 120.812 120.300 -0.161 0.000 2.561 494 Y HA -0.042 4.627 4.550 0.199 0.000 0.291 494 Y C 1.547 177.413 175.900 -0.057 0.000 1.141 494 Y CA 0.655 58.715 58.100 -0.067 0.000 1.303 494 Y CB -0.269 38.241 38.460 0.083 0.000 1.015 494 Y HN 0.396 nan 8.280 nan 0.000 0.547 495 E N -1.131 119.093 120.200 0.040 0.000 3.562 495 E HA -0.280 4.191 4.350 0.202 0.000 0.298 495 E C -0.007 176.636 176.600 0.071 0.000 0.830 495 E CA 0.849 57.256 56.400 0.013 0.000 1.013 495 E CB -0.669 29.005 29.700 -0.044 0.000 1.510 495 E HN 0.211 nan 8.360 nan 0.000 0.463 496 R N -1.503 119.084 120.500 0.146 0.000 2.836 496 R HA 0.608 5.070 4.340 0.202 0.000 0.269 496 R C 0.641 177.044 176.300 0.171 0.000 1.010 496 R CA 0.202 56.381 56.100 0.132 0.000 0.930 496 R CB 1.038 31.352 30.300 0.024 0.000 1.218 496 R HN 0.012 nan 8.270 nan 0.000 0.473 497 A N 0.764 123.608 122.820 0.040 0.000 1.929 497 A HA -0.002 4.440 4.320 0.202 0.000 0.216 497 A C 0.236 177.598 177.584 -0.370 0.000 1.176 497 A CA 1.193 53.113 52.037 -0.196 0.000 0.628 497 A CB -0.110 18.684 19.000 -0.343 0.000 0.816 497 A HN 0.474 nan 8.150 nan 0.000 0.444 498 H N -1.347 117.759 119.070 0.059 0.000 2.589 498 H HA 0.590 5.267 4.556 0.201 0.000 0.351 498 H C -1.536 173.844 175.328 0.088 0.000 1.074 498 H CA -0.622 55.472 56.048 0.077 0.000 1.203 498 H CB 1.697 31.606 29.762 0.244 0.000 1.558 498 H HN -0.001 nan 8.280 nan 0.000 0.522 499 V N 4.125 124.171 119.914 0.220 0.000 2.623 499 V HA 0.149 4.391 4.120 0.202 0.000 0.304 499 V C -0.557 175.671 176.094 0.225 0.000 1.054 499 V CA -0.776 61.649 62.300 0.210 0.000 0.882 499 V CB 2.663 34.645 31.823 0.266 0.000 1.002 499 V HN 0.411 nan 8.190 nan 0.000 0.424 500 L N 6.314 127.717 121.223 0.301 0.000 2.280 500 L HA 0.673 5.135 4.340 0.202 0.000 0.287 500 L C -0.453 176.522 176.870 0.176 0.000 1.023 500 L CA 0.073 55.069 54.840 0.261 0.000 0.819 500 L CB 1.499 43.783 42.059 0.376 0.000 1.212 500 L HN 0.489 nan 8.230 nan 0.000 0.420 501 V N 5.868 125.809 119.914 0.045 0.000 2.398 501 V HA 0.525 4.766 4.120 0.202 0.000 0.286 501 V C 0.466 176.449 176.094 -0.185 0.000 1.026 501 V CA -0.823 61.364 62.300 -0.189 0.000 0.868 501 V CB 1.216 32.626 31.823 -0.689 0.000 0.982 501 V HN 0.710 nan 8.190 nan 0.000 0.443 502 R N 4.485 124.810 120.500 -0.291 0.000 2.726 502 R HA 0.213 4.675 4.340 0.202 0.000 0.272 502 R C -1.769 174.001 176.300 -0.883 0.000 1.097 502 R CA -1.450 54.171 56.100 -0.799 0.000 1.198 502 R CB -0.053 29.842 30.300 -0.675 0.000 1.114 502 R HN 0.363 nan 8.270 nan 0.000 0.550 503 P HA -0.170 nan 4.420 nan 0.000 0.223 503 P C 0.201 177.139 177.300 -0.604 0.000 1.144 503 P CA 1.322 63.973 63.100 -0.749 0.000 0.783 503 P CB 0.041 31.357 31.700 -0.640 0.000 0.771 504 D N -2.480 117.425 120.400 -0.825 0.000 2.339 504 D HA 0.093 4.854 4.640 0.202 0.000 0.217 504 D C 1.437 177.661 176.300 -0.126 0.000 1.050 504 D CA 0.565 54.331 54.000 -0.389 0.000 0.856 504 D CB -0.704 39.905 40.800 -0.318 0.000 0.922 504 D HN 0.191 nan 8.370 nan 0.000 0.518 505 G N -0.268 108.415 108.800 -0.196 0.000 2.195 505 G HA2 -0.242 3.840 3.960 0.202 0.000 0.246 505 G HA3 -0.242 3.840 3.960 0.202 0.000 0.246 505 G C 0.100 174.920 174.900 -0.133 0.000 0.984 505 G CA 0.008 45.022 45.100 -0.143 0.000 0.633 505 G HN 0.567 nan 8.290 nan 0.000 0.525 506 H N -0.373 118.564 119.070 -0.222 0.000 2.482 506 H HA 0.473 5.145 4.556 0.193 0.000 0.344 506 H C 0.058 175.300 175.328 -0.143 0.000 1.151 506 H CA -0.494 55.474 56.048 -0.134 0.000 1.300 506 H CB 1.937 31.700 29.762 0.002 0.000 1.494 506 H HN 0.055 nan 8.280 nan 0.000 0.542 507 V N 2.168 122.071 119.914 -0.018 0.000 2.488 507 V HA 0.052 4.293 4.120 0.202 0.000 0.277 507 V C 0.891 177.066 176.094 0.135 0.000 1.046 507 V CA 0.305 62.614 62.300 0.015 0.000 0.986 507 V CB 0.891 32.699 31.823 -0.026 0.000 0.989 507 V HN 0.933 nan 8.190 nan 0.000 0.475 508 A N 4.562 127.505 122.820 0.206 0.000 1.901 508 A HA 0.236 4.678 4.320 0.202 0.000 0.210 508 A C 0.394 178.191 177.584 0.355 0.000 1.208 508 A CA 0.363 52.586 52.037 0.309 0.000 0.644 508 A CB 0.142 19.391 19.000 0.415 0.000 0.863 508 A HN 0.838 nan 8.150 nan 0.000 0.454 509 W N -0.058 121.320 121.300 0.130 0.000 3.296 509 W HA 0.586 5.311 4.660 0.107 0.000 0.314 509 W C -1.006 175.579 176.519 0.109 0.000 1.238 509 W CA -0.659 56.753 57.345 0.112 0.000 1.193 509 W CB 1.029 30.555 29.460 0.110 0.000 1.383 509 W HN 0.427 nan 8.180 nan 0.000 0.545 510 R N 3.812 123.674 120.500 -1.064 0.000 2.680 510 R HA 0.934 5.395 4.340 0.202 0.000 0.269 510 R C -0.864 174.561 176.300 -1.458 0.000 1.026 510 R CA -0.695 54.795 56.100 -1.018 0.000 0.889 510 R CB 1.662 31.760 30.300 -0.337 0.000 1.241 510 R HN 1.117 nan 8.270 nan 0.000 0.463 511 G N 0.483 108.729 108.800 -0.924 0.000 2.338 511 G HA2 0.160 4.241 3.960 0.202 0.000 0.295 511 G HA3 0.160 4.241 3.960 0.202 0.000 0.295 511 G C -1.019 173.861 174.900 -0.033 0.000 1.461 511 G CA -0.595 44.246 45.100 -0.432 0.000 0.817 511 G HN 0.506 nan 8.290 nan 0.000 0.556 512 D N -0.489 119.957 120.400 0.078 0.000 2.277 512 D HA 0.071 4.832 4.640 0.202 0.000 0.208 512 D C 0.042 176.290 176.300 -0.087 0.000 0.962 512 D CA 1.257 55.270 54.000 0.022 0.000 0.865 512 D CB 0.272 41.105 40.800 0.055 0.000 0.939 512 D HN 0.411 nan 8.370 nan 0.000 0.510 513 H N -0.297 118.976 119.070 0.338 0.000 2.667 513 H HA 0.257 4.932 4.556 0.199 0.000 0.353 513 H C -0.312 175.257 175.328 0.402 0.000 1.072 513 H CA -0.833 55.420 56.048 0.343 0.000 1.214 513 H CB 1.484 31.372 29.762 0.209 0.000 1.600 513 H HN -0.235 nan 8.280 nan 0.000 0.527 514 L N 4.725 126.134 121.223 0.310 0.000 2.455 514 L HA 0.150 4.611 4.340 0.202 0.000 0.272 514 L C -1.465 175.424 176.870 0.032 0.000 1.174 514 L CA -1.299 53.571 54.840 0.050 0.000 0.869 514 L CB -0.723 41.239 42.059 -0.160 0.000 1.130 514 L HN 0.591 nan 8.230 nan 0.000 0.474 515 P HA 0.094 nan 4.420 nan 0.000 0.272 515 P C 0.240 177.501 177.300 -0.065 0.000 1.254 515 P CA -0.301 62.773 63.100 -0.042 0.000 0.795 515 P CB 0.879 32.507 31.700 -0.121 0.000 1.022 516 A N -0.265 122.532 122.820 -0.038 0.000 1.943 516 A HA -0.021 4.421 4.320 0.202 0.000 0.213 516 A C 1.448 178.994 177.584 -0.063 0.000 1.181 516 A CA 0.773 52.786 52.037 -0.039 0.000 0.653 516 A CB -0.529 18.461 19.000 -0.017 0.000 0.833 516 A HN 0.521 nan 8.150 nan 0.000 0.451 517 E N 1.151 121.308 120.200 -0.071 0.000 2.110 517 E HA 0.247 4.718 4.350 0.202 0.000 0.300 517 E C 0.810 177.333 176.600 -0.128 0.000 1.278 517 E CA -0.175 56.175 56.400 -0.083 0.000 1.365 517 E CB -0.207 29.456 29.700 -0.062 0.000 1.283 517 E HN 0.577 nan 8.360 nan 0.000 0.490 518 L N 0.021 121.158 121.223 -0.143 0.000 2.081 518 L HA -0.216 4.245 4.340 0.202 0.000 0.212 518 L C 2.195 178.935 176.870 -0.216 0.000 1.080 518 L CA 1.504 56.232 54.840 -0.188 0.000 0.754 518 L CB -0.424 41.544 42.059 -0.152 0.000 0.893 518 L HN 0.393 nan 8.230 nan 0.000 0.433 519 G N -0.209 108.488 108.800 -0.171 0.000 2.433 519 G HA2 -0.190 3.891 3.960 0.202 0.000 0.216 519 G HA3 -0.190 3.891 3.960 0.202 0.000 0.216 519 G C 1.609 176.411 174.900 -0.163 0.000 1.186 519 G CA 0.705 45.700 45.100 -0.175 0.000 0.779 519 G HN 0.474 nan 8.290 nan 0.000 0.543 520 G N 0.686 109.413 108.800 -0.122 0.000 2.469 520 G HA2 -0.206 3.875 3.960 0.202 0.000 0.220 520 G HA3 -0.206 3.875 3.960 0.202 0.000 0.220 520 G C 1.738 176.571 174.900 -0.111 0.000 1.136 520 G CA 1.214 46.258 45.100 -0.093 0.000 0.759 520 G HN 0.407 nan 8.290 nan 0.000 0.562 521 L N 0.676 121.799 121.223 -0.167 0.000 2.023 521 L HA 0.058 4.520 4.340 0.202 0.000 0.205 521 L C 2.982 179.718 176.870 -0.223 0.000 1.073 521 L CA 1.349 56.075 54.840 -0.189 0.000 0.745 521 L CB -0.669 41.216 42.059 -0.291 0.000 0.900 521 L HN 0.077 nan 8.230 nan 0.000 0.435 522 V N 0.122 119.813 119.914 -0.371 0.000 2.453 522 V HA -0.320 3.921 4.120 0.202 0.000 0.252 522 V C 1.988 177.918 176.094 -0.275 0.000 1.068 522 V CA 2.131 64.100 62.300 -0.552 0.000 1.070 522 V CB -0.941 30.411 31.823 -0.786 0.000 0.664 522 V HN 0.483 nan 8.190 nan 0.000 0.461 523 D N -0.713 119.588 120.400 -0.164 0.000 2.277 523 D HA -0.082 4.679 4.640 0.202 0.000 0.208 523 D C 2.076 178.374 176.300 -0.003 0.000 0.962 523 D CA 0.692 54.657 54.000 -0.058 0.000 0.865 523 D CB -0.115 40.656 40.800 -0.049 0.000 0.939 523 D HN 0.370 nan 8.370 nan 0.000 0.510 524 K N 1.003 121.394 120.400 -0.015 0.000 1.984 524 K HA -0.101 4.340 4.320 0.202 0.000 0.209 524 K C 1.824 178.488 176.600 0.107 0.000 1.046 524 K CA 1.435 57.747 56.287 0.042 0.000 0.934 524 K CB -0.475 32.046 32.500 0.034 0.000 0.717 524 K HN 0.134 nan 8.250 nan 0.000 0.438 525 V N 0.362 120.342 119.914 0.110 0.000 2.970 525 V HA -0.026 4.215 4.120 0.202 0.000 0.260 525 V C 1.902 178.232 176.094 0.394 0.000 1.100 525 V CA 1.666 64.119 62.300 0.255 0.000 1.122 525 V CB -0.943 31.014 31.823 0.222 0.000 0.721 525 V HN 0.460 nan 8.190 nan 0.000 0.483 526 R N 1.003 121.663 120.500 0.266 0.000 2.334 526 R HA 0.416 4.877 4.340 0.202 0.000 0.216 526 R C 1.370 177.812 176.300 0.237 0.000 0.905 526 R CA 0.656 56.985 56.100 0.381 0.000 1.064 526 R CB -0.008 30.502 30.300 0.349 0.000 1.046 526 R HN 0.781 nan 8.270 nan 0.000 0.508 527 G N 0.359 109.260 108.800 0.169 0.000 2.171 527 G HA2 -0.255 3.826 3.960 0.202 0.000 0.238 527 G HA3 -0.255 3.826 3.960 0.202 0.000 0.238 527 G C 0.341 175.280 174.900 0.065 0.000 1.039 527 G CA 0.004 45.163 45.100 0.099 0.000 0.759 527 G HN 0.557 nan 8.290 nan 0.000 0.501 528 A N -0.662 122.195 122.820 0.062 0.000 2.630 528 A HA 0.945 5.387 4.320 0.202 0.000 0.290 528 A C 1.524 179.126 177.584 0.030 0.000 1.267 528 A CA 1.367 53.428 52.037 0.041 0.000 0.950 528 A CB -0.413 18.610 19.000 0.040 0.000 1.144 528 A HN 2.614 nan 8.150 nan 0.000 0.527 529 A N 0.000 122.841 122.820 0.035 0.000 2.254 529 A HA 0.000 4.441 4.320 0.202 0.000 0.244 529 A CA 0.000 52.055 52.037 0.029 0.000 0.836 529 A CB 0.000 19.015 19.000 0.024 0.000 0.831 529 A HN 0.000 nan 8.150 nan 0.000 0.486