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 3f5f_1_A DATA FIRST_RESID 1 DATA SEQUENCE KIEEGKLVIW INGDKGYNGL AEVGKKFEKD TGIKVTVEHP DKLEEKFPQV DATA SEQUENCE AATGDGPDII FWAHDRFGGY AQSGLLAEIT PDKAFQDKLY PFTWDAVRYN DATA SEQUENCE GKLIAYPIAV EALSLIYNKD LLPNPPKTWE EIPALDKELK AKGKSALMFN DATA SEQUENCE LQEPYFTWPL IAADGGYAFK YENGKYDIKD VGVDNAGAKA GLTFLVDLIK DATA SEQUENCE NKHMNADTDY SIAEAAFNKG ETAMTINGPW AWSNIDTSKV NYGVTVLPTF DATA SEQUENCE KGQPSKPFVG VLSAGINAAS PNKELAKEFL ENYLLTDEGL EAVNKDKPLG DATA SEQUENCE AVALKSYEEE LAKDPRIAAT MENAQKGEIM PNIPQMSAFW YAVRTAVINA DATA SEQUENCE ASGRQTVDAA LAAAQTNAAA XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXDE EDDVVIIYNR VPKTASTSFT NIAYDLCAKN DATA SEQUENCE RYHVLHINTT KNNPVMSLQD QVRFVKNVTS WKEMKPGFYH GHVSYLDFAK DATA SEQUENCE FGVKKKPIYI NVIRDPIERL VSYYYFLRFG DDYRPGLRRR KQGDKKTFDE DATA SEQUENCE cVAAGGSDcA PEKLWLQIPF FcGHSSEcWN VGSRWALEQA KYNLINEYFL DATA SEQUENCE VGVTEELEDF IMLLEAALPR FFRGATELYR TGKKSHLRKT TEKKLPTAAT DATA SEQUENCE IAKLQQSEIW KMENEFYEFA LEQFQFVRAH AVREKDGELY ILAQNFFYEK DATA SEQUENCE IYPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 K HA 0.000 nan 4.320 nan 0.000 0.191 1 K C 0.000 176.565 176.600 -0.058 0.000 0.988 1 K CA 0.000 56.256 56.287 -0.052 0.000 0.838 1 K CB 0.000 32.476 32.500 -0.039 0.000 1.064 2 I N 3.200 123.725 120.570 -0.075 0.000 2.725 2 I HA -0.018 4.152 4.170 -0.000 0.000 0.296 2 I C 1.072 177.154 176.117 -0.059 0.000 1.155 2 I CA 0.079 61.330 61.300 -0.082 0.000 1.450 2 I CB 0.302 38.244 38.000 -0.097 0.000 1.478 2 I HN 0.797 nan 8.210 nan 0.000 0.642 3 E N 6.824 126.995 120.200 -0.049 0.000 2.414 3 E HA -0.024 4.326 4.350 -0.000 0.000 0.263 3 E C -0.006 176.575 176.600 -0.032 0.000 1.000 3 E CA -0.258 56.121 56.400 -0.035 0.000 0.914 3 E CB 0.733 30.417 29.700 -0.027 0.000 0.948 3 E HN 0.588 nan 8.360 nan 0.000 0.444 4 E N 2.728 122.914 120.200 -0.024 0.000 2.301 4 E HA 0.325 4.675 4.350 -0.000 0.000 0.275 4 E C 0.424 177.019 176.600 -0.009 0.000 1.030 4 E CA 0.439 56.830 56.400 -0.016 0.000 0.852 4 E CB 0.823 30.515 29.700 -0.013 0.000 1.060 4 E HN 0.756 nan 8.360 nan 0.000 0.401 5 G N 3.937 112.737 108.800 -0.001 0.000 2.278 5 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.210 5 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.210 5 G C -0.051 174.857 174.900 0.014 0.000 1.000 5 G CA 0.324 45.428 45.100 0.007 0.000 0.635 5 G HN 0.694 nan 8.290 nan 0.000 0.495 6 K N -0.585 119.816 120.400 0.001 0.000 2.283 6 K HA 0.903 5.222 4.320 -0.000 0.000 0.257 6 K C -1.054 175.523 176.600 -0.037 0.000 1.066 6 K CA -1.231 55.055 56.287 -0.002 0.000 0.891 6 K CB 1.417 33.912 32.500 -0.009 0.000 1.438 6 K HN 0.228 nan 8.250 nan 0.000 0.464 7 L N 1.351 122.527 121.223 -0.077 0.000 2.409 7 L HA 0.492 4.832 4.340 -0.000 0.000 0.272 7 L C -1.277 175.509 176.870 -0.139 0.000 0.980 7 L CA -1.307 53.443 54.840 -0.149 0.000 0.826 7 L CB 2.284 44.164 42.059 -0.299 0.000 1.268 7 L HN 0.388 nan 8.230 nan 0.000 0.407 8 V N 4.652 124.493 119.914 -0.122 0.000 2.357 8 V HA 0.482 4.602 4.120 -0.000 0.000 0.284 8 V C 0.028 176.073 176.094 -0.081 0.000 1.018 8 V CA -0.279 61.974 62.300 -0.078 0.000 0.841 8 V CB 1.690 33.463 31.823 -0.084 0.000 0.991 8 V HN 0.498 nan 8.190 nan 0.000 0.437 9 I N 3.778 124.363 120.570 0.025 0.000 2.441 9 I HA 0.485 4.655 4.170 -0.000 0.000 0.295 9 I C -1.021 175.334 176.117 0.396 0.000 0.994 9 I CA -0.457 60.924 61.300 0.135 0.000 1.144 9 I CB 2.062 40.131 38.000 0.115 0.000 1.314 9 I HN 0.480 nan 8.210 nan 0.000 0.445 10 W N 6.978 128.349 121.300 0.118 0.000 2.587 10 W HA 0.703 5.363 4.660 -0.000 0.000 0.324 10 W C -0.495 176.145 176.519 0.202 0.000 1.040 10 W CA -1.001 56.408 57.345 0.107 0.000 1.222 10 W CB 1.416 30.917 29.460 0.068 0.000 1.381 10 W HN 0.207 nan 8.180 nan 0.000 0.483 11 I N 3.372 124.130 120.570 0.313 0.000 2.752 11 I HA 0.248 4.418 4.170 -0.000 0.000 0.295 11 I C -0.292 175.920 176.117 0.158 0.000 1.219 11 I CA -0.870 60.573 61.300 0.238 0.000 1.030 11 I CB 1.710 39.729 38.000 0.031 0.000 1.259 11 I HN 0.241 nan 8.210 nan 0.000 0.423 12 N N 3.483 122.264 118.700 0.136 0.000 2.395 12 N HA 0.112 4.852 4.740 -0.000 0.000 0.246 12 N C 1.086 176.598 175.510 0.004 0.000 1.246 12 N CA 1.272 54.353 53.050 0.051 0.000 0.879 12 N CB 1.345 39.760 38.487 -0.120 0.000 1.098 12 N HN 0.751 nan 8.380 nan 0.000 0.444 13 G N 1.010 109.806 108.800 -0.006 0.000 2.559 13 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 13 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 13 G C 0.746 175.636 174.900 -0.017 0.000 1.126 13 G CA 0.810 45.906 45.100 -0.007 0.000 0.778 13 G HN 0.813 nan 8.290 nan 0.000 0.543 14 D N -0.079 120.216 120.400 -0.174 0.000 2.323 14 D HA 0.024 4.663 4.640 -0.000 0.000 0.209 14 D C 1.063 177.254 176.300 -0.181 0.000 0.973 14 D CA 0.321 54.184 54.000 -0.228 0.000 0.874 14 D CB 0.111 40.583 40.800 -0.547 0.000 0.930 14 D HN 0.027 nan 8.370 nan 0.000 0.521 15 K N 0.444 120.730 120.400 -0.191 0.000 2.102 15 K HA 0.459 4.779 4.320 -0.000 0.000 0.244 15 K C 0.919 177.427 176.600 -0.154 0.000 1.021 15 K CA -0.385 55.819 56.287 -0.139 0.000 0.913 15 K CB 0.605 33.010 32.500 -0.157 0.000 1.062 15 K HN 0.088 nan 8.250 nan 0.000 0.485 16 G N 1.921 110.631 108.800 -0.149 0.000 3.209 16 G HA2 0.116 4.075 3.960 -0.000 0.000 0.274 16 G HA3 0.116 4.075 3.960 -0.000 0.000 0.274 16 G C 0.761 175.533 174.900 -0.214 0.000 0.850 16 G CA -0.242 44.720 45.100 -0.230 0.000 1.907 16 G HN 0.603 nan 8.290 nan 0.000 0.591 17 Y N -0.269 119.966 120.300 -0.109 0.000 2.352 17 Y HA -0.070 4.480 4.550 -0.000 0.000 0.292 17 Y C 2.023 177.905 175.900 -0.030 0.000 1.136 17 Y CA 0.526 58.576 58.100 -0.083 0.000 1.227 17 Y CB -0.457 37.961 38.460 -0.070 0.000 0.991 17 Y HN 0.288 nan 8.280 nan 0.000 0.545 18 N N 1.077 119.687 118.700 -0.150 0.000 2.188 18 N HA -0.092 4.648 4.740 -0.000 0.000 0.184 18 N C 2.117 177.638 175.510 0.018 0.000 1.018 18 N CA 1.456 54.514 53.050 0.013 0.000 0.858 18 N CB -0.725 37.703 38.487 -0.099 0.000 0.989 18 N HN 0.618 nan 8.380 nan 0.000 0.426 19 G N 1.216 109.993 108.800 -0.037 0.000 2.408 19 G HA2 -0.167 3.792 3.960 -0.000 0.000 0.217 19 G HA3 -0.167 3.792 3.960 -0.000 0.000 0.217 19 G C 1.592 176.512 174.900 0.034 0.000 1.150 19 G CA 0.234 45.332 45.100 -0.002 0.000 0.776 19 G HN 0.208 nan 8.290 nan 0.000 0.542 20 L N 1.393 122.635 121.223 0.032 0.000 2.083 20 L HA 0.155 4.495 4.340 -0.000 0.000 0.209 20 L C 3.027 179.979 176.870 0.138 0.000 1.083 20 L CA 1.924 56.805 54.840 0.068 0.000 0.752 20 L CB -0.651 41.412 42.059 0.007 0.000 0.899 20 L HN 0.229 nan 8.230 nan 0.000 0.433 21 A N -0.881 122.012 122.820 0.123 0.000 1.902 21 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 21 A C 2.193 179.855 177.584 0.129 0.000 1.181 21 A CA 1.835 53.946 52.037 0.124 0.000 0.623 21 A CB -0.643 18.432 19.000 0.125 0.000 0.818 21 A HN 0.584 nan 8.150 nan 0.000 0.443 22 E N -0.469 119.799 120.200 0.113 0.000 2.118 22 E HA -0.144 4.206 4.350 -0.000 0.000 0.195 22 E C 1.896 178.590 176.600 0.155 0.000 0.992 22 E CA 1.365 57.832 56.400 0.111 0.000 0.804 22 E CB -0.229 29.519 29.700 0.080 0.000 0.741 22 E HN 0.436 nan 8.360 nan 0.000 0.458 23 V N 0.331 120.357 119.914 0.186 0.000 2.515 23 V HA -0.153 3.966 4.120 -0.000 0.000 0.250 23 V C 2.243 178.593 176.094 0.427 0.000 1.058 23 V CA 1.761 64.215 62.300 0.256 0.000 1.064 23 V CB -0.694 31.242 31.823 0.189 0.000 0.675 23 V HN 0.388 nan 8.190 nan 0.000 0.461 24 G N -0.362 108.661 108.800 0.371 0.000 2.402 24 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.216 24 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.216 24 G C 1.676 176.715 174.900 0.231 0.000 1.162 24 G CA 0.421 45.684 45.100 0.271 0.000 0.777 24 G HN 0.356 nan 8.290 nan 0.000 0.539 25 K N 0.433 120.938 120.400 0.176 0.000 2.057 25 K HA -0.086 4.234 4.320 -0.000 0.000 0.207 25 K C 2.419 179.108 176.600 0.148 0.000 1.049 25 K CA 1.341 57.709 56.287 0.134 0.000 0.931 25 K CB -0.141 32.423 32.500 0.106 0.000 0.714 25 K HN 0.223 nan 8.250 nan 0.000 0.440 26 K N 0.674 121.194 120.400 0.200 0.000 2.097 26 K HA -0.125 4.195 4.320 -0.000 0.000 0.206 26 K C 1.876 178.596 176.600 0.200 0.000 1.049 26 K CA 1.037 57.462 56.287 0.229 0.000 0.933 26 K CB -0.437 32.254 32.500 0.319 0.000 0.717 26 K HN 0.006 nan 8.250 nan 0.000 0.442 27 F N 1.433 121.355 119.950 -0.046 0.000 2.186 27 F HA -0.062 4.465 4.527 -0.000 0.000 0.299 27 F C 2.065 177.773 175.800 -0.152 0.000 1.090 27 F CA 1.586 59.372 58.000 -0.357 0.000 1.307 27 F CB -0.040 38.836 39.000 -0.207 0.000 1.019 27 F HN 0.205 nan 8.300 nan 0.000 0.489 28 E N 0.112 120.337 120.200 0.042 0.000 2.072 28 E HA -0.244 4.106 4.350 -0.000 0.000 0.190 28 E C 2.129 178.690 176.600 -0.065 0.000 0.982 28 E CA 0.874 57.261 56.400 -0.021 0.000 0.803 28 E CB -0.132 29.594 29.700 0.043 0.000 0.755 28 E HN 0.320 nan 8.360 nan 0.000 0.453 29 K N 0.171 120.562 120.400 -0.015 0.000 2.362 29 K HA -0.121 4.199 4.320 -0.000 0.000 0.200 29 K C 0.566 177.150 176.600 -0.027 0.000 1.046 29 K CA 1.297 57.581 56.287 -0.005 0.000 0.952 29 K CB 0.296 32.817 32.500 0.036 0.000 0.753 29 K HN 0.056 nan 8.250 nan 0.000 0.466 30 D N -1.210 119.144 120.400 -0.077 0.000 2.441 30 D HA -0.008 4.632 4.640 -0.000 0.000 0.210 30 D C 1.041 177.235 176.300 -0.175 0.000 1.102 30 D CA 0.791 54.751 54.000 -0.068 0.000 0.840 30 D CB 1.247 42.088 40.800 0.069 0.000 0.990 30 D HN 0.349 nan 8.370 nan 0.000 0.505 31 T N -4.678 109.690 114.554 -0.309 0.000 3.046 31 T HA 0.342 4.692 4.350 -0.000 0.000 0.270 31 T C 1.624 176.197 174.700 -0.212 0.000 0.920 31 T CA 0.584 62.486 62.100 -0.330 0.000 0.874 31 T CB 1.111 69.587 68.868 -0.654 0.000 1.214 31 T HN 0.070 nan 8.240 nan 0.000 0.536 32 G N 1.569 110.268 108.800 -0.168 0.000 2.179 32 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.260 32 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.260 32 G C -0.205 174.658 174.900 -0.060 0.000 0.977 32 G CA 0.120 45.169 45.100 -0.086 0.000 0.641 32 G HN 0.577 nan 8.290 nan 0.000 0.533 33 I N 1.038 121.560 120.570 -0.080 0.000 2.312 33 I HA 0.454 4.623 4.170 -0.000 0.000 0.291 33 I C 0.547 176.718 176.117 0.090 0.000 1.031 33 I CA -1.566 59.752 61.300 0.030 0.000 1.293 33 I CB 1.475 39.556 38.000 0.134 0.000 1.403 33 I HN 0.160 nan 8.210 nan 0.000 0.484 34 K N 5.413 125.844 120.400 0.051 0.000 2.401 34 K HA 0.404 4.724 4.320 -0.000 0.000 0.278 34 K C -1.092 175.522 176.600 0.023 0.000 1.018 34 K CA 0.093 56.404 56.287 0.039 0.000 0.981 34 K CB 0.547 33.057 32.500 0.017 0.000 0.933 34 K HN 0.383 nan 8.250 nan 0.000 0.477 35 V N 4.308 124.223 119.914 0.002 0.000 2.407 35 V HA 0.311 4.431 4.120 -0.000 0.000 0.291 35 V C -0.713 175.345 176.094 -0.060 0.000 1.018 35 V CA -0.849 61.394 62.300 -0.095 0.000 0.842 35 V CB 1.763 33.462 31.823 -0.207 0.000 0.996 35 V HN 0.871 nan 8.190 nan 0.000 0.426 36 T N 4.616 119.137 114.554 -0.056 0.000 2.758 36 T HA 0.562 4.912 4.350 -0.000 0.000 0.285 36 T C -0.206 174.502 174.700 0.014 0.000 0.981 36 T CA -0.352 61.743 62.100 -0.007 0.000 0.965 36 T CB 1.497 70.371 68.868 0.009 0.000 0.927 36 T HN 0.352 nan 8.240 nan 0.000 0.448 37 V N 4.215 124.153 119.914 0.039 0.000 2.435 37 V HA 0.507 4.627 4.120 -0.000 0.000 0.290 37 V C 0.080 176.209 176.094 0.058 0.000 1.030 37 V CA -0.742 61.604 62.300 0.077 0.000 0.881 37 V CB 1.441 33.321 31.823 0.095 0.000 0.983 37 V HN 0.851 nan 8.190 nan 0.000 0.445 38 E N 2.413 122.657 120.200 0.073 0.000 2.343 38 E HA 0.578 4.928 4.350 -0.000 0.000 0.270 38 E C -1.433 175.043 176.600 -0.206 0.000 0.895 38 E CA -0.880 55.444 56.400 -0.127 0.000 0.767 38 E CB 2.466 32.092 29.700 -0.124 0.000 1.248 38 E HN 1.018 nan 8.360 nan 0.000 0.440 39 H N -0.834 117.991 119.070 -0.408 0.000 2.569 39 H HA 0.424 4.980 4.556 -0.000 0.000 0.247 39 H C -2.825 172.269 175.328 -0.390 0.000 1.346 39 H CA -2.233 53.579 56.048 -0.395 0.000 1.502 39 H CB -0.055 29.412 29.762 -0.492 0.000 1.512 39 H HN 0.130 nan 8.280 nan 0.000 0.502 40 P HA 0.118 nan 4.420 nan 0.000 0.274 40 P C -0.126 177.012 177.300 -0.270 0.000 1.256 40 P CA -0.403 62.397 63.100 -0.499 0.000 0.795 40 P CB 0.939 32.142 31.700 -0.828 0.000 1.038 41 D N 0.539 120.811 120.400 -0.213 0.000 2.312 41 D HA 0.102 4.742 4.640 -0.000 0.000 0.248 41 D C 0.082 176.310 176.300 -0.120 0.000 1.086 41 D CA -0.288 53.641 54.000 -0.118 0.000 0.948 41 D CB 0.481 41.228 40.800 -0.089 0.000 1.162 41 D HN 0.321 nan 8.370 nan 0.000 0.446 42 K N 0.578 120.935 120.400 -0.072 0.000 3.156 42 K HA -0.226 4.094 4.320 -0.000 0.000 0.266 42 K C 0.988 177.509 176.600 -0.131 0.000 0.966 42 K CA -0.220 56.017 56.287 -0.083 0.000 0.719 42 K CB -0.827 31.629 32.500 -0.072 0.000 1.333 42 K HN 0.278 nan 8.250 nan 0.000 0.468 43 L N 2.058 123.203 121.223 -0.129 0.000 2.012 43 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 43 L C 2.573 179.306 176.870 -0.227 0.000 1.073 43 L CA 2.544 57.306 54.840 -0.130 0.000 0.748 43 L CB -0.421 41.662 42.059 0.041 0.000 0.891 43 L HN 0.486 nan 8.230 nan 0.000 0.431 44 E N -0.427 119.380 120.200 -0.655 0.000 2.333 44 E HA -0.236 4.113 4.350 -0.000 0.000 0.198 44 E C 1.477 177.932 176.600 -0.242 0.000 1.007 44 E CA 1.624 57.574 56.400 -0.749 0.000 0.845 44 E CB -0.304 28.520 29.700 -1.459 0.000 0.766 44 E HN 0.769 nan 8.360 nan 0.000 0.507 45 E N 0.586 120.683 120.200 -0.173 0.000 2.201 45 E HA 0.065 4.415 4.350 -0.000 0.000 0.193 45 E C 2.013 178.583 176.600 -0.050 0.000 0.957 45 E CA -0.037 56.313 56.400 -0.084 0.000 0.858 45 E CB 0.145 29.798 29.700 -0.078 0.000 0.816 45 E HN 0.165 nan 8.360 nan 0.000 0.475 46 K N 0.725 121.111 120.400 -0.024 0.000 2.026 46 K HA -0.142 4.177 4.320 -0.000 0.000 0.208 46 K C 1.996 178.671 176.600 0.125 0.000 1.048 46 K CA 1.151 57.465 56.287 0.044 0.000 0.929 46 K CB -0.249 32.267 32.500 0.027 0.000 0.713 46 K HN -0.001 nan 8.250 nan 0.000 0.439 47 F N 2.963 122.933 119.950 0.033 0.000 2.015 47 F HA -0.197 4.330 4.527 -0.000 0.000 0.297 47 F C -1.113 174.496 175.800 -0.319 0.000 1.141 47 F CA 1.514 59.434 58.000 -0.134 0.000 1.192 47 F CB -1.231 37.565 39.000 -0.340 0.000 0.957 47 F HN 0.022 nan 8.300 nan 0.000 0.491 48 P HA -0.226 nan 4.420 nan 0.000 0.219 48 P C 0.983 178.069 177.300 -0.357 0.000 1.144 48 P CA 1.901 64.713 63.100 -0.480 0.000 0.806 48 P CB -0.154 31.433 31.700 -0.189 0.000 0.771 49 Q N -0.490 119.154 119.800 -0.260 0.000 1.994 49 Q HA -0.015 4.325 4.340 -0.000 0.000 0.197 49 Q C 2.368 178.234 176.000 -0.223 0.000 0.981 49 Q CA 0.694 56.385 55.803 -0.187 0.000 0.838 49 Q CB -0.769 27.904 28.738 -0.108 0.000 0.904 49 Q HN -0.084 nan 8.270 nan 0.000 0.460 50 V N 1.446 121.254 119.914 -0.177 0.000 2.511 50 V HA -0.338 3.781 4.120 -0.000 0.000 0.257 50 V C 2.015 177.917 176.094 -0.319 0.000 1.088 50 V CA 2.001 64.199 62.300 -0.171 0.000 1.098 50 V CB -0.986 30.814 31.823 -0.038 0.000 0.674 50 V HN 0.465 nan 8.190 nan 0.000 0.470 51 A N -0.508 121.989 122.820 -0.539 0.000 1.984 51 A HA 0.264 4.584 4.320 -0.000 0.000 0.214 51 A C 2.297 179.610 177.584 -0.451 0.000 1.173 51 A CA 1.060 52.688 52.037 -0.682 0.000 0.673 51 A CB -0.473 17.669 19.000 -1.430 0.000 0.830 51 A HN 0.565 nan 8.150 nan 0.000 0.453 52 A N 0.090 122.685 122.820 -0.374 0.000 2.225 52 A HA 0.033 4.352 4.320 -0.000 0.000 0.215 52 A C 1.737 179.213 177.584 -0.180 0.000 1.164 52 A CA 1.828 53.718 52.037 -0.245 0.000 0.710 52 A CB -0.926 17.957 19.000 -0.195 0.000 0.780 52 A HN 0.789 nan 8.150 nan 0.000 0.473 53 T N -5.107 109.335 114.554 -0.187 0.000 3.293 53 T HA 0.451 4.801 4.350 -0.000 0.000 0.276 53 T C 0.994 175.613 174.700 -0.135 0.000 1.003 53 T CA 0.744 62.762 62.100 -0.137 0.000 0.916 53 T CB -0.279 68.520 68.868 -0.115 0.000 1.134 53 T HN 1.586 nan 8.240 nan 0.000 0.530 54 G N 1.010 109.716 108.800 -0.157 0.000 2.225 54 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.267 54 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.267 54 G C -0.190 174.622 174.900 -0.147 0.000 1.024 54 G CA 0.534 45.550 45.100 -0.140 0.000 0.784 54 G HN 0.824 nan 8.290 nan 0.000 0.507 55 D N -1.849 118.438 120.400 -0.187 0.000 2.758 55 D HA 0.737 5.377 4.640 -0.000 0.000 0.262 55 D C 0.869 177.008 176.300 -0.268 0.000 1.113 55 D CA 1.276 55.167 54.000 -0.181 0.000 1.114 55 D CB 0.981 41.698 40.800 -0.137 0.000 1.363 55 D HN 1.428 nan 8.370 nan 0.000 0.617 56 G N -0.479 108.158 108.800 -0.272 0.000 2.582 56 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.222 56 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.222 56 G C -2.587 171.988 174.900 -0.541 0.000 1.311 56 G CA -0.396 44.419 45.100 -0.474 0.000 0.915 56 G HN 0.560 nan 8.290 nan 0.000 0.528 57 P HA 0.296 nan 4.420 nan 0.000 0.274 57 P C -0.078 177.031 177.300 -0.319 0.000 1.256 57 P CA -0.023 62.645 63.100 -0.719 0.000 0.795 57 P CB 0.992 31.970 31.700 -1.203 0.000 1.038 58 D N -0.061 120.207 120.400 -0.220 0.000 2.162 58 D HA 0.085 4.725 4.640 -0.000 0.000 0.205 58 D C 0.642 176.886 176.300 -0.095 0.000 0.964 58 D CA 1.323 55.246 54.000 -0.128 0.000 0.847 58 D CB 0.325 41.056 40.800 -0.115 0.000 0.988 58 D HN 0.350 nan 8.370 nan 0.000 0.480 59 I N 1.298 121.806 120.570 -0.103 0.000 2.436 59 I HA 0.273 4.443 4.170 -0.000 0.000 0.289 59 I C -0.781 175.298 176.117 -0.062 0.000 1.010 59 I CA -0.991 60.272 61.300 -0.062 0.000 1.098 59 I CB 2.658 40.664 38.000 0.009 0.000 1.266 59 I HN -0.201 nan 8.210 nan 0.000 0.434 60 I N 6.294 126.756 120.570 -0.180 0.000 2.378 60 I HA 0.486 4.656 4.170 -0.000 0.000 0.291 60 I C -1.480 174.665 176.117 0.047 0.000 0.992 60 I CA -0.036 61.135 61.300 -0.215 0.000 1.154 60 I CB 0.878 38.239 38.000 -1.065 0.000 1.315 60 I HN 0.244 nan 8.210 nan 0.000 0.448 61 F N 7.785 127.875 119.950 0.233 0.000 2.420 61 F HA 0.610 5.137 4.527 -0.000 0.000 0.342 61 F C -0.439 175.660 175.800 0.498 0.000 1.113 61 F CA 0.144 58.342 58.000 0.330 0.000 1.059 61 F CB 1.149 40.273 39.000 0.206 0.000 1.128 61 F HN 0.480 nan 8.300 nan 0.000 0.475 62 W N 2.283 123.842 121.300 0.431 0.000 3.064 62 W HA 0.548 5.207 4.660 -0.000 0.000 0.328 62 W C -1.420 175.202 176.519 0.172 0.000 1.210 62 W CA -1.253 56.290 57.345 0.330 0.000 1.178 62 W CB 1.189 30.905 29.460 0.427 0.000 1.416 62 W HN 0.650 nan 8.180 nan 0.000 0.568 63 A N 2.703 125.285 122.820 -0.396 0.000 2.507 63 A HA 0.027 4.347 4.320 -0.000 0.000 0.235 63 A C 1.432 179.049 177.584 0.056 0.000 1.070 63 A CA 1.047 52.983 52.037 -0.169 0.000 0.768 63 A CB -0.125 18.697 19.000 -0.296 0.000 1.011 63 A HN 0.812 nan 8.150 nan 0.000 0.502 64 H N 1.519 120.509 119.070 -0.132 0.000 2.489 64 H HA -0.173 4.383 4.556 -0.000 0.000 0.293 64 H C 1.213 176.581 175.328 0.066 0.000 1.066 64 H CA 1.573 57.515 56.048 -0.177 0.000 1.305 64 H CB -0.573 29.092 29.762 -0.162 0.000 1.386 64 H HN 0.845 nan 8.280 nan 0.000 0.551 65 D N 1.652 121.688 120.400 -0.608 0.000 2.190 65 D HA -0.227 4.412 4.640 -0.000 0.000 0.200 65 D C 1.899 178.146 176.300 -0.089 0.000 0.992 65 D CA 1.025 54.815 54.000 -0.351 0.000 0.854 65 D CB -0.463 40.236 40.800 -0.169 0.000 0.936 65 D HN 0.415 nan 8.370 nan 0.000 0.462 66 R N -1.412 119.095 120.500 0.011 0.000 2.254 66 R HA 0.130 4.470 4.340 -0.000 0.000 0.195 66 R C 1.912 177.807 176.300 -0.674 0.000 0.957 66 R CA -0.105 55.809 56.100 -0.310 0.000 1.024 66 R CB -0.128 29.895 30.300 -0.462 0.000 0.952 66 R HN 0.091 nan 8.270 nan 0.000 0.484 67 F N 0.393 120.023 119.950 -0.533 0.000 2.307 67 F HA -0.065 4.462 4.527 -0.000 0.000 0.301 67 F C 2.345 177.947 175.800 -0.331 0.000 1.076 67 F CA 1.290 59.065 58.000 -0.375 0.000 1.383 67 F CB -0.789 38.164 39.000 -0.077 0.000 1.055 67 F HN 0.109 nan 8.300 nan 0.000 0.526 68 G N -0.166 108.482 108.800 -0.253 0.000 2.433 68 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.216 68 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.216 68 G C 2.114 176.642 174.900 -0.620 0.000 1.186 68 G CA 0.835 45.552 45.100 -0.639 0.000 0.779 68 G HN 0.485 nan 8.290 nan 0.000 0.543 69 G N -0.108 108.466 108.800 -0.376 0.000 2.418 69 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.217 69 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.217 69 G C 1.659 176.551 174.900 -0.013 0.000 1.158 69 G CA 1.083 46.070 45.100 -0.189 0.000 0.771 69 G HN 0.366 nan 8.290 nan 0.000 0.545 70 Y N 1.430 121.651 120.300 -0.132 0.000 2.165 70 Y HA -0.040 4.510 4.550 -0.000 0.000 0.286 70 Y C 3.108 178.974 175.900 -0.057 0.000 1.155 70 Y CA 0.173 58.222 58.100 -0.085 0.000 1.164 70 Y CB -1.273 37.120 38.460 -0.113 0.000 0.978 70 Y HN 0.286 nan 8.280 nan 0.000 0.513 71 A N -0.059 122.810 122.820 0.081 0.000 1.845 71 A HA -0.267 4.053 4.320 -0.000 0.000 0.215 71 A C 2.278 179.930 177.584 0.114 0.000 1.195 71 A CA 1.759 53.856 52.037 0.099 0.000 0.616 71 A CB -1.061 18.004 19.000 0.109 0.000 0.832 71 A HN 0.483 nan 8.150 nan 0.000 0.443 72 Q N -0.204 119.632 119.800 0.059 0.000 2.248 72 Q HA -0.150 4.189 4.340 -0.000 0.000 0.208 72 Q C 1.325 177.370 176.000 0.076 0.000 0.984 72 Q CA 1.676 57.562 55.803 0.138 0.000 0.875 72 Q CB -0.128 28.665 28.738 0.091 0.000 0.910 72 Q HN 0.572 nan 8.270 nan 0.000 0.433 73 S N -0.979 114.750 115.700 0.048 0.000 2.605 73 S HA 0.204 4.674 4.470 -0.000 0.000 0.217 73 S C 0.690 175.293 174.600 0.005 0.000 0.958 73 S CA 0.422 58.633 58.200 0.018 0.000 0.919 73 S CB 0.737 63.938 63.200 0.001 0.000 0.780 73 S HN 0.665 nan 8.310 nan 0.000 0.507 74 G N 1.735 110.555 108.800 0.032 0.000 2.273 74 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.280 74 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.280 74 G C 0.415 175.309 174.900 -0.011 0.000 1.047 74 G CA 0.397 45.509 45.100 0.020 0.000 0.869 74 G HN 0.545 nan 8.290 nan 0.000 0.502 75 L N -1.515 119.704 121.223 -0.006 0.000 2.554 75 L HA 0.413 4.753 4.340 -0.000 0.000 0.225 75 L C 1.243 178.138 176.870 0.041 0.000 1.104 75 L CA 0.165 54.967 54.840 -0.063 0.000 0.866 75 L CB 0.080 42.033 42.059 -0.176 0.000 1.047 75 L HN 0.213 nan 8.230 nan 0.000 0.468 76 L N 0.122 121.399 121.223 0.089 0.000 2.334 76 L HA 0.686 5.026 4.340 -0.000 0.000 0.276 76 L C 0.005 176.928 176.870 0.088 0.000 1.014 76 L CA -0.574 54.336 54.840 0.117 0.000 0.815 76 L CB 1.916 44.074 42.059 0.165 0.000 1.268 76 L HN -0.094 nan 8.230 nan 0.000 0.428 77 A N 1.799 124.667 122.820 0.080 0.000 2.295 77 A HA 0.399 4.718 4.320 -0.000 0.000 0.318 77 A C -0.287 177.336 177.584 0.064 0.000 1.134 77 A CA -0.461 51.612 52.037 0.059 0.000 0.827 77 A CB 0.895 19.924 19.000 0.048 0.000 1.136 77 A HN 0.783 nan 8.150 nan 0.000 0.493 78 E N 1.388 121.615 120.200 0.045 0.000 2.360 78 E HA 0.351 4.701 4.350 -0.000 0.000 0.269 78 E C -0.281 176.321 176.600 0.003 0.000 1.022 78 E CA -0.394 56.023 56.400 0.028 0.000 0.887 78 E CB 0.368 30.077 29.700 0.016 0.000 0.990 78 E HN 0.565 nan 8.360 nan 0.000 0.426 79 I N 1.767 122.310 120.570 -0.045 0.000 2.396 79 I HA 0.325 4.495 4.170 -0.000 0.000 0.292 79 I C 0.037 176.088 176.117 -0.110 0.000 0.999 79 I CA -0.617 60.614 61.300 -0.113 0.000 1.310 79 I CB 1.630 39.391 38.000 -0.399 0.000 1.404 79 I HN 0.442 nan 8.210 nan 0.000 0.496 80 T N 2.867 117.389 114.554 -0.053 0.000 3.377 80 T HA 0.457 4.807 4.350 -0.000 0.000 0.270 80 T C -2.209 172.479 174.700 -0.019 0.000 1.586 80 T CA -1.426 60.649 62.100 -0.042 0.000 1.487 80 T CB -0.273 68.589 68.868 -0.010 0.000 0.994 80 T HN 0.584 nan 8.240 nan 0.000 0.689 81 P HA 0.319 nan 4.420 nan 0.000 0.279 81 P C -0.548 176.767 177.300 0.024 0.000 1.239 81 P CA -0.267 62.865 63.100 0.052 0.000 0.789 81 P CB 0.975 32.792 31.700 0.195 0.000 0.933 82 D N 1.210 121.659 120.400 0.081 0.000 2.339 82 D HA 0.078 4.717 4.640 -0.000 0.000 0.245 82 D C 0.946 177.284 176.300 0.064 0.000 1.115 82 D CA -0.546 53.484 54.000 0.051 0.000 0.917 82 D CB 0.745 41.581 40.800 0.061 0.000 1.192 82 D HN 0.187 nan 8.370 nan 0.000 0.428 83 K N 0.649 121.053 120.400 0.006 0.000 2.362 83 K HA -0.184 4.136 4.320 -0.000 0.000 0.202 83 K C 1.803 178.427 176.600 0.041 0.000 1.045 83 K CA 1.128 57.409 56.287 -0.010 0.000 0.936 83 K CB -0.217 32.265 32.500 -0.029 0.000 0.747 83 K HN 0.570 nan 8.250 nan 0.000 0.467 84 A N 0.506 123.373 122.820 0.079 0.000 1.930 84 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 84 A C 1.889 179.550 177.584 0.127 0.000 1.175 84 A CA 1.005 53.094 52.037 0.088 0.000 0.627 84 A CB -0.392 18.665 19.000 0.095 0.000 0.815 84 A HN 0.345 nan 8.150 nan 0.000 0.443 85 F N 0.292 120.289 119.950 0.078 0.000 2.179 85 F HA -0.028 4.498 4.527 -0.000 0.000 0.292 85 F C 2.484 178.429 175.800 0.242 0.000 1.089 85 F CA 1.597 59.686 58.000 0.148 0.000 1.295 85 F CB -0.316 38.798 39.000 0.191 0.000 1.041 85 F HN 0.244 nan 8.300 nan 0.000 0.487 86 Q N -0.031 119.944 119.800 0.292 0.000 2.152 86 Q HA -0.248 4.091 4.340 -0.000 0.000 0.206 86 Q C 1.623 177.774 176.000 0.252 0.000 0.985 86 Q CA 1.771 57.708 55.803 0.222 0.000 0.863 86 Q CB -0.349 28.204 28.738 -0.308 0.000 0.904 86 Q HN 0.451 nan 8.270 nan 0.000 0.422 87 D N 0.624 121.071 120.400 0.079 0.000 2.310 87 D HA -0.110 4.529 4.640 -0.000 0.000 0.212 87 D C 1.214 177.501 176.300 -0.021 0.000 0.965 87 D CA 0.902 54.927 54.000 0.043 0.000 0.879 87 D CB 0.083 40.891 40.800 0.013 0.000 0.921 87 D HN 0.426 nan 8.370 nan 0.000 0.510 88 K N -0.100 120.231 120.400 -0.114 0.000 2.458 88 K HA 0.100 4.420 4.320 -0.000 0.000 0.194 88 K C 0.125 176.559 176.600 -0.277 0.000 1.024 88 K CA -0.058 56.100 56.287 -0.215 0.000 1.108 88 K CB 0.541 32.868 32.500 -0.289 0.000 0.846 88 K HN -0.094 nan 8.250 nan 0.000 0.518 89 L N 1.428 122.544 121.223 -0.178 0.000 2.362 89 L HA 0.331 4.671 4.340 -0.000 0.000 0.271 89 L C -0.679 176.100 176.870 -0.151 0.000 1.002 89 L CA -1.101 53.577 54.840 -0.270 0.000 0.818 89 L CB 1.049 42.859 42.059 -0.414 0.000 1.298 89 L HN -0.010 nan 8.230 nan 0.000 0.420 90 Y N 3.575 123.819 120.300 -0.093 0.000 2.721 90 Y HA -0.006 4.543 4.550 -0.000 0.000 0.329 90 Y C -1.270 174.644 175.900 0.023 0.000 1.211 90 Y CA -0.907 57.201 58.100 0.014 0.000 1.512 90 Y CB -0.133 38.366 38.460 0.065 0.000 1.249 90 Y HN 0.552 nan 8.280 nan 0.000 0.549 91 P HA -0.247 nan 4.420 nan 0.000 0.216 91 P C 1.426 178.897 177.300 0.284 0.000 1.150 91 P CA 1.709 65.023 63.100 0.356 0.000 0.843 91 P CB -0.124 31.747 31.700 0.286 0.000 0.787 92 F N -0.530 119.513 119.950 0.156 0.000 2.502 92 F HA -0.061 4.466 4.527 -0.000 0.000 0.298 92 F C 1.764 177.590 175.800 0.044 0.000 1.111 92 F CA 1.355 59.407 58.000 0.086 0.000 1.445 92 F CB -1.803 37.218 39.000 0.036 0.000 1.081 92 F HN -0.114 nan 8.300 nan 0.000 0.558 93 T N -3.583 110.445 114.554 -0.877 0.000 3.014 93 T HA -0.126 4.224 4.350 -0.000 0.000 0.263 93 T C 1.522 175.990 174.700 -0.387 0.000 1.078 93 T CA 0.785 62.392 62.100 -0.823 0.000 1.135 93 T CB -1.084 67.294 68.868 -0.817 0.000 0.895 93 T HN 0.571 nan 8.240 nan 0.000 0.480 94 W N 2.024 123.218 121.300 -0.177 0.000 2.467 94 W HA 0.097 4.757 4.660 -0.000 0.000 0.275 94 W C 1.891 178.370 176.519 -0.067 0.000 1.239 94 W CA 0.114 57.405 57.345 -0.090 0.000 1.266 94 W CB 0.048 29.485 29.460 -0.039 0.000 1.112 94 W HN 0.236 nan 8.180 nan 0.000 0.576 95 D N 0.096 120.594 120.400 0.163 0.000 2.144 95 D HA -0.133 4.507 4.640 -0.000 0.000 0.200 95 D C 2.209 178.550 176.300 0.070 0.000 0.978 95 D CA 1.561 55.635 54.000 0.123 0.000 0.833 95 D CB -0.760 40.119 40.800 0.131 0.000 0.961 95 D HN 0.136 nan 8.370 nan 0.000 0.470 96 A N 0.883 123.673 122.820 -0.050 0.000 2.019 96 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 96 A C 2.091 179.674 177.584 -0.001 0.000 1.164 96 A CA 1.419 53.353 52.037 -0.171 0.000 0.644 96 A CB -0.369 18.274 19.000 -0.595 0.000 0.805 96 A HN 0.246 nan 8.150 nan 0.000 0.449 97 V N -3.037 116.888 119.914 0.018 0.000 3.249 97 V HA 0.385 4.505 4.120 -0.000 0.000 0.338 97 V C 0.435 176.617 176.094 0.147 0.000 1.363 97 V CA -0.235 62.106 62.300 0.068 0.000 1.205 97 V CB -0.900 30.933 31.823 0.017 0.000 1.164 97 V HN 0.396 nan 8.190 nan 0.000 0.458 98 R N 0.863 121.458 120.500 0.159 0.000 2.265 98 R HA 0.481 4.821 4.340 -0.000 0.000 0.328 98 R C -1.767 174.660 176.300 0.213 0.000 0.969 98 R CA -0.728 55.466 56.100 0.156 0.000 0.832 98 R CB 1.197 31.564 30.300 0.113 0.000 1.139 98 R HN 0.474 nan 8.270 nan 0.000 0.457 99 Y N 4.660 124.997 120.300 0.061 0.000 2.338 99 Y HA 0.218 4.767 4.550 -0.000 0.000 0.333 99 Y C -0.626 175.293 175.900 0.031 0.000 0.968 99 Y CA -1.221 56.909 58.100 0.050 0.000 1.123 99 Y CB 1.209 39.708 38.460 0.065 0.000 1.165 99 Y HN 0.891 nan 8.280 nan 0.000 0.452 100 N N 4.057 122.440 118.700 -0.527 0.000 2.740 100 N HA -0.196 4.544 4.740 -0.000 0.000 0.248 100 N C 0.929 176.332 175.510 -0.179 0.000 1.062 100 N CA 1.775 54.573 53.050 -0.419 0.000 0.704 100 N CB -1.045 37.120 38.487 -0.536 0.000 0.968 100 N HN 1.293 nan 8.380 nan 0.000 0.547 101 G N -1.770 106.968 108.800 -0.103 0.000 2.377 101 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.250 101 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.250 101 G C 0.253 175.133 174.900 -0.033 0.000 1.039 101 G CA 0.969 46.035 45.100 -0.057 0.000 0.625 101 G HN 0.538 nan 8.290 nan 0.000 0.526 102 K N 0.180 120.568 120.400 -0.020 0.000 2.118 102 K HA 0.656 4.976 4.320 -0.000 0.000 0.264 102 K C 0.256 176.880 176.600 0.039 0.000 1.000 102 K CA -0.649 55.641 56.287 0.004 0.000 0.929 102 K CB 1.189 33.702 32.500 0.023 0.000 1.021 102 K HN 0.158 nan 8.250 nan 0.000 0.463 103 L N 4.506 125.737 121.223 0.012 0.000 2.261 103 L HA 0.268 4.608 4.340 -0.000 0.000 0.289 103 L C 1.023 177.923 176.870 0.050 0.000 1.059 103 L CA -0.165 54.696 54.840 0.036 0.000 0.816 103 L CB 0.425 42.461 42.059 -0.039 0.000 1.191 103 L HN 0.688 nan 8.230 nan 0.000 0.431 104 I N 0.175 120.814 120.570 0.114 0.000 3.928 104 I HA 0.592 4.762 4.170 -0.000 0.000 0.335 104 I C 0.409 176.628 176.117 0.170 0.000 1.325 104 I CA -0.133 61.257 61.300 0.150 0.000 1.107 104 I CB 0.294 38.432 38.000 0.230 0.000 1.014 104 I HN 0.524 nan 8.210 nan 0.000 0.400 105 A N 0.245 123.110 122.820 0.076 0.000 2.583 105 A HA 0.617 4.937 4.320 -0.000 0.000 0.292 105 A C -2.016 175.549 177.584 -0.032 0.000 1.045 105 A CA -0.487 51.578 52.037 0.046 0.000 0.672 105 A CB 0.483 19.469 19.000 -0.023 0.000 1.283 105 A HN 0.178 nan 8.150 nan 0.000 0.419 106 Y N 1.619 121.912 120.300 -0.010 0.000 2.327 106 Y HA 0.470 5.020 4.550 -0.000 0.000 0.336 106 Y C -1.901 173.871 175.900 -0.214 0.000 1.035 106 Y CA -1.743 56.329 58.100 -0.047 0.000 1.165 106 Y CB 1.209 39.671 38.460 0.003 0.000 1.181 106 Y HN 0.437 nan 8.280 nan 0.000 0.494 107 P HA 0.121 nan 4.420 nan 0.000 0.275 107 P C -0.051 177.151 177.300 -0.162 0.000 1.228 107 P CA 0.089 63.023 63.100 -0.277 0.000 0.786 107 P CB 1.827 33.243 31.700 -0.473 0.000 0.927 108 I N 0.212 120.738 120.570 -0.074 0.000 3.739 108 I HA 0.342 4.512 4.170 -0.000 0.000 0.272 108 I C 1.030 177.162 176.117 0.025 0.000 1.167 108 I CA 0.212 61.528 61.300 0.028 0.000 1.386 108 I CB -0.696 37.410 38.000 0.176 0.000 1.490 108 I HN 0.347 nan 8.210 nan 0.000 0.452 109 A N 0.664 123.498 122.820 0.022 0.000 2.609 109 A HA 0.689 5.009 4.320 -0.000 0.000 0.291 109 A C -1.326 176.283 177.584 0.043 0.000 1.096 109 A CA -0.362 51.704 52.037 0.049 0.000 0.684 109 A CB 1.708 20.760 19.000 0.087 0.000 1.282 109 A HN -0.156 nan 8.150 nan 0.000 0.412 110 V N 1.820 121.782 119.914 0.080 0.000 2.370 110 V HA 0.386 4.506 4.120 -0.000 0.000 0.279 110 V C -0.269 175.906 176.094 0.135 0.000 1.029 110 V CA -0.236 62.135 62.300 0.118 0.000 0.870 110 V CB 0.988 32.925 31.823 0.190 0.000 0.984 110 V HN 0.861 nan 8.190 nan 0.000 0.451 111 E N 3.758 124.062 120.200 0.173 0.000 2.183 111 E HA 0.819 5.169 4.350 -0.000 0.000 0.271 111 E C -0.497 176.240 176.600 0.229 0.000 0.919 111 E CA -0.680 55.846 56.400 0.211 0.000 0.781 111 E CB 2.372 32.290 29.700 0.364 0.000 1.140 111 E HN 0.763 nan 8.360 nan 0.000 0.402 112 A N 3.192 126.097 122.820 0.141 0.000 2.520 112 A HA 0.481 4.801 4.320 -0.000 0.000 0.298 112 A C -0.945 176.656 177.584 0.027 0.000 1.051 112 A CA -0.761 51.353 52.037 0.128 0.000 0.690 112 A CB 0.944 20.010 19.000 0.110 0.000 1.281 112 A HN 0.572 nan 8.150 nan 0.000 0.402 113 L N 1.601 122.819 121.223 -0.007 0.000 2.397 113 L HA 0.483 4.823 4.340 -0.000 0.000 0.271 113 L C 0.491 177.350 176.870 -0.018 0.000 1.148 113 L CA 0.065 54.867 54.840 -0.063 0.000 0.825 113 L CB 1.293 43.265 42.059 -0.145 0.000 1.117 113 L HN 0.733 nan 8.230 nan 0.000 0.456 114 S N 1.969 117.667 115.700 -0.003 0.000 2.667 114 S HA 0.554 5.024 4.470 -0.000 0.000 0.292 114 S C -1.052 173.548 174.600 0.000 0.000 1.126 114 S CA -0.620 57.596 58.200 0.026 0.000 0.881 114 S CB 2.147 65.407 63.200 0.100 0.000 1.132 114 S HN 0.356 nan 8.310 nan 0.000 0.492 115 L N 2.359 123.575 121.223 -0.012 0.000 2.290 115 L HA 0.574 4.914 4.340 -0.000 0.000 0.284 115 L C -1.264 175.641 176.870 0.059 0.000 1.078 115 L CA 0.189 55.006 54.840 -0.039 0.000 0.815 115 L CB -0.004 41.998 42.059 -0.095 0.000 1.162 115 L HN 0.548 nan 8.230 nan 0.000 0.435 116 I N 6.909 127.477 120.570 -0.002 0.000 2.382 116 I HA 0.281 4.450 4.170 -0.000 0.000 0.285 116 I C -0.933 175.218 176.117 0.057 0.000 1.007 116 I CA -0.767 60.528 61.300 -0.009 0.000 1.142 116 I CB 0.698 38.552 38.000 -0.242 0.000 1.289 116 I HN 0.593 nan 8.210 nan 0.000 0.453 117 Y N 4.431 124.812 120.300 0.136 0.000 2.567 117 Y HA 0.534 5.084 4.550 -0.000 0.000 0.333 117 Y C -0.287 175.854 175.900 0.401 0.000 1.106 117 Y CA -1.685 56.578 58.100 0.272 0.000 1.157 117 Y CB 0.628 39.150 38.460 0.104 0.000 1.277 117 Y HN 0.380 nan 8.280 nan 0.000 0.490 118 N N 2.416 121.321 118.700 0.342 0.000 2.558 118 N HA 0.108 4.847 4.740 -0.000 0.000 0.233 118 N C 0.501 176.052 175.510 0.067 0.000 1.038 118 N CA -0.126 52.967 53.050 0.071 0.000 0.934 118 N CB 0.671 39.130 38.487 -0.046 0.000 1.175 118 N HN 0.685 nan 8.380 nan 0.000 0.512 119 K N 1.950 122.312 120.400 -0.063 0.000 2.107 119 K HA -0.194 4.126 4.320 -0.000 0.000 0.211 119 K C 0.547 177.171 176.600 0.039 0.000 1.049 119 K CA 1.582 57.872 56.287 0.005 0.000 0.927 119 K CB 0.075 32.522 32.500 -0.087 0.000 0.714 119 K HN 0.576 nan 8.250 nan 0.000 0.452 120 D N 0.344 120.743 120.400 -0.001 0.000 2.117 120 D HA -0.095 4.545 4.640 -0.000 0.000 0.198 120 D C 2.078 178.387 176.300 0.014 0.000 0.982 120 D CA 0.850 54.848 54.000 -0.003 0.000 0.828 120 D CB -0.063 40.721 40.800 -0.027 0.000 0.967 120 D HN 0.048 nan 8.370 nan 0.000 0.464 121 L N -0.461 120.776 121.223 0.024 0.000 2.127 121 L HA 0.065 4.405 4.340 -0.000 0.000 0.203 121 L C 0.854 177.762 176.870 0.063 0.000 1.080 121 L CA 0.664 55.524 54.840 0.035 0.000 0.768 121 L CB -0.022 42.054 42.059 0.029 0.000 0.924 121 L HN -0.026 nan 8.230 nan 0.000 0.444 122 L N 0.129 121.423 121.223 0.118 0.000 2.445 122 L HA 0.391 4.731 4.340 -0.000 0.000 0.252 122 L C -1.857 175.112 176.870 0.165 0.000 1.105 122 L CA -1.805 53.108 54.840 0.123 0.000 0.943 122 L CB 0.724 42.867 42.059 0.140 0.000 1.277 122 L HN -0.120 nan 8.230 nan 0.000 0.465 123 P HA -0.156 nan 4.420 nan 0.000 0.215 123 P C -0.499 176.842 177.300 0.068 0.000 1.163 123 P CA 1.546 64.703 63.100 0.096 0.000 0.894 123 P CB 0.137 31.861 31.700 0.039 0.000 0.791 124 N N -0.150 118.533 118.700 -0.028 0.000 2.558 124 N HA 0.210 4.950 4.740 -0.000 0.000 0.242 124 N C -2.559 172.811 175.510 -0.233 0.000 0.979 124 N CA -1.649 51.327 53.050 -0.123 0.000 0.931 124 N CB 0.962 39.399 38.487 -0.083 0.000 1.122 124 N HN 0.129 nan 8.380 nan 0.000 0.508 125 P HA 0.057 nan 4.420 nan 0.000 0.267 125 P C -2.581 174.525 177.300 -0.324 0.000 1.200 125 P CA -0.720 62.051 63.100 -0.549 0.000 0.772 125 P CB 0.058 31.118 31.700 -1.066 0.000 0.855 126 P HA 0.097 nan 4.420 nan 0.000 0.271 126 P C 0.547 177.719 177.300 -0.214 0.000 1.216 126 P CA -0.104 62.879 63.100 -0.195 0.000 0.771 126 P CB 0.901 32.497 31.700 -0.173 0.000 0.864 127 K N 0.776 121.079 120.400 -0.161 0.000 2.243 127 K HA 0.058 4.378 4.320 -0.000 0.000 0.201 127 K C 1.172 177.690 176.600 -0.137 0.000 1.051 127 K CA 1.018 57.218 56.287 -0.145 0.000 0.970 127 K CB -0.149 32.288 32.500 -0.105 0.000 0.755 127 K HN 0.680 nan 8.250 nan 0.000 0.465 128 T N -4.469 110.013 114.554 -0.121 0.000 2.916 128 T HA 0.297 4.647 4.350 -0.000 0.000 0.292 128 T C 0.585 175.240 174.700 -0.075 0.000 1.064 128 T CA -0.884 61.174 62.100 -0.071 0.000 1.011 128 T CB 0.978 69.835 68.868 -0.018 0.000 1.152 128 T HN 0.102 nan 8.240 nan 0.000 0.510 129 W N 0.539 121.797 121.300 -0.071 0.000 2.409 129 W HA 0.122 4.782 4.660 -0.000 0.000 0.299 129 W C 2.201 178.760 176.519 0.065 0.000 1.203 129 W CA 0.810 58.120 57.345 -0.060 0.000 1.298 129 W CB -0.294 28.966 29.460 -0.334 0.000 1.127 129 W HN 0.810 nan 8.180 nan 0.000 0.528 130 E N 0.346 120.667 120.200 0.201 0.000 2.273 130 E HA -0.242 4.108 4.350 -0.000 0.000 0.198 130 E C 1.667 178.403 176.600 0.226 0.000 1.002 130 E CA 1.754 58.318 56.400 0.274 0.000 0.828 130 E CB -0.447 29.331 29.700 0.130 0.000 0.747 130 E HN 0.542 nan 8.360 nan 0.000 0.491 131 E N 0.000 120.276 120.200 0.127 0.000 2.479 131 E HA 0.041 4.391 4.350 -0.000 0.000 0.193 131 E C 1.518 178.143 176.600 0.041 0.000 1.049 131 E CA 0.051 56.488 56.400 0.061 0.000 0.870 131 E CB 0.024 29.728 29.700 0.006 0.000 0.944 131 E HN 0.278 nan 8.360 nan 0.000 0.492 132 I N 1.266 121.889 120.570 0.089 0.000 2.617 132 I HA -0.055 4.115 4.170 -0.000 0.000 0.256 132 I C -0.661 175.412 176.117 -0.073 0.000 1.167 132 I CA 0.264 61.583 61.300 0.031 0.000 1.469 132 I CB -0.881 37.173 38.000 0.090 0.000 1.098 132 I HN 0.081 nan 8.210 nan 0.000 0.436 133 P HA -0.095 nan 4.420 nan 0.000 0.215 133 P C 1.670 178.817 177.300 -0.255 0.000 1.157 133 P CA 1.492 64.297 63.100 -0.493 0.000 0.859 133 P CB 0.061 31.597 31.700 -0.273 0.000 0.786 134 A N -0.344 122.432 122.820 -0.073 0.000 1.908 134 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 134 A C 2.161 179.734 177.584 -0.018 0.000 1.181 134 A CA 1.646 53.674 52.037 -0.015 0.000 0.627 134 A CB -1.763 17.242 19.000 0.008 0.000 0.818 134 A HN 0.154 nan 8.150 nan 0.000 0.445 135 L N 0.269 121.474 121.223 -0.030 0.000 2.042 135 L HA -0.190 4.149 4.340 -0.000 0.000 0.210 135 L C 1.922 178.789 176.870 -0.005 0.000 1.076 135 L CA 2.792 57.622 54.840 -0.017 0.000 0.749 135 L CB -0.667 41.378 42.059 -0.023 0.000 0.893 135 L HN 0.494 nan 8.230 nan 0.000 0.432 136 D N -0.923 119.461 120.400 -0.026 0.000 2.178 136 D HA -0.192 4.448 4.640 -0.000 0.000 0.202 136 D C 2.099 178.438 176.300 0.066 0.000 0.974 136 D CA 1.222 55.238 54.000 0.026 0.000 0.841 136 D CB 0.070 40.887 40.800 0.027 0.000 0.953 136 D HN 0.340 nan 8.370 nan 0.000 0.478 137 K N 0.019 120.455 120.400 0.060 0.000 2.057 137 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 137 K C 2.145 178.774 176.600 0.049 0.000 1.049 137 K CA 1.136 57.470 56.287 0.077 0.000 0.931 137 K CB -0.033 32.514 32.500 0.077 0.000 0.714 137 K HN 0.305 nan 8.250 nan 0.000 0.440 138 E N 0.816 121.037 120.200 0.034 0.000 2.047 138 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 138 E C 2.045 178.662 176.600 0.028 0.000 0.987 138 E CA 0.859 57.274 56.400 0.026 0.000 0.799 138 E CB -0.042 29.669 29.700 0.017 0.000 0.752 138 E HN 0.201 nan 8.360 nan 0.000 0.449 139 L N 0.744 121.986 121.223 0.031 0.000 2.201 139 L HA -0.148 4.191 4.340 -0.000 0.000 0.212 139 L C 2.365 179.258 176.870 0.038 0.000 1.105 139 L CA 0.758 55.619 54.840 0.034 0.000 0.775 139 L CB -0.133 41.950 42.059 0.040 0.000 0.913 139 L HN -0.017 nan 8.230 nan 0.000 0.440 140 K N 0.492 120.920 120.400 0.047 0.000 2.103 140 K HA -0.025 4.295 4.320 -0.000 0.000 0.204 140 K C 2.038 178.658 176.600 0.034 0.000 1.052 140 K CA 1.182 57.497 56.287 0.047 0.000 0.945 140 K CB -0.277 32.260 32.500 0.061 0.000 0.722 140 K HN 0.204 nan 8.250 nan 0.000 0.443 141 A N 0.476 123.315 122.820 0.031 0.000 2.178 141 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 141 A C 1.123 178.718 177.584 0.018 0.000 1.157 141 A CA 1.295 53.346 52.037 0.024 0.000 0.689 141 A CB -0.231 18.783 19.000 0.023 0.000 0.787 141 A HN 0.237 nan 8.150 nan 0.000 0.465 142 K N -1.430 118.982 120.400 0.019 0.000 2.455 142 K HA 0.321 4.641 4.320 -0.000 0.000 0.206 142 K C 0.804 177.412 176.600 0.013 0.000 1.027 142 K CA 0.322 56.617 56.287 0.014 0.000 1.113 142 K CB 0.315 32.824 32.500 0.014 0.000 0.850 142 K HN 0.506 nan 8.250 nan 0.000 0.503 143 G N 1.962 110.771 108.800 0.016 0.000 2.143 143 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.248 143 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.248 143 G C -0.043 174.867 174.900 0.017 0.000 0.991 143 G CA 0.393 45.502 45.100 0.015 0.000 0.689 143 G HN 0.119 nan 8.290 nan 0.000 0.522 144 K N -0.471 119.943 120.400 0.024 0.000 2.331 144 K HA 0.821 5.141 4.320 -0.000 0.000 0.238 144 K C -0.267 176.360 176.600 0.045 0.000 1.058 144 K CA -0.473 55.831 56.287 0.029 0.000 0.871 144 K CB 1.666 34.182 32.500 0.027 0.000 1.292 144 K HN 0.221 nan 8.250 nan 0.000 0.470 145 S N -0.948 114.785 115.700 0.056 0.000 2.568 145 S HA 0.586 5.056 4.470 -0.000 0.000 0.293 145 S C 0.379 175.031 174.600 0.087 0.000 1.089 145 S CA -0.136 58.109 58.200 0.075 0.000 0.945 145 S CB 1.595 64.843 63.200 0.079 0.000 1.077 145 S HN 0.581 nan 8.310 nan 0.000 0.485 146 A N 2.634 125.509 122.820 0.092 0.000 1.843 146 A HA 0.394 4.714 4.320 -0.000 0.000 0.213 146 A C 0.443 178.097 177.584 0.115 0.000 1.202 146 A CA 0.883 52.971 52.037 0.085 0.000 0.607 146 A CB -0.485 18.547 19.000 0.054 0.000 0.847 146 A HN 0.853 nan 8.150 nan 0.000 0.445 147 L N -1.396 119.912 121.223 0.143 0.000 2.401 147 L HA 0.788 5.128 4.340 -0.000 0.000 0.266 147 L C -1.107 175.902 176.870 0.232 0.000 0.991 147 L CA -0.292 54.664 54.840 0.193 0.000 0.818 147 L CB 1.892 44.077 42.059 0.210 0.000 1.321 147 L HN 0.362 nan 8.230 nan 0.000 0.413 148 M N 5.850 125.609 119.600 0.265 0.000 2.255 148 M HA 0.508 4.988 4.480 -0.000 0.000 0.275 148 M C -1.749 174.706 176.300 0.258 0.000 1.050 148 M CA -0.279 55.139 55.300 0.197 0.000 0.978 148 M CB 1.911 34.578 32.600 0.112 0.000 1.761 148 M HN 0.639 nan 8.290 nan 0.000 0.479 149 F N 0.426 120.376 119.950 -0.001 0.000 2.686 149 F HA 0.582 5.108 4.527 -0.000 0.000 0.311 149 F C -0.599 175.121 175.800 -0.133 0.000 1.128 149 F CA -1.353 56.597 58.000 -0.082 0.000 0.946 149 F CB 0.728 39.736 39.000 0.013 0.000 1.336 149 F HN 0.451 nan 8.300 nan 0.000 0.457 150 N N 1.814 120.333 118.700 -0.302 0.000 2.386 150 N HA 0.046 4.786 4.740 -0.000 0.000 0.273 150 N C 0.075 175.444 175.510 -0.234 0.000 1.331 150 N CA 0.271 53.098 53.050 -0.371 0.000 0.891 150 N CB 0.253 38.321 38.487 -0.699 0.000 1.139 150 N HN 0.792 nan 8.380 nan 0.000 0.487 151 L N 2.421 123.507 121.223 -0.229 0.000 2.700 151 L HA 0.126 4.466 4.340 -0.000 0.000 0.234 151 L C 1.293 178.166 176.870 0.004 0.000 1.156 151 L CA -0.075 54.679 54.840 -0.144 0.000 0.946 151 L CB 0.110 42.033 42.059 -0.226 0.000 1.216 151 L HN 0.423 nan 8.230 nan 0.000 0.493 152 Q N -0.259 119.565 119.800 0.041 0.000 2.349 152 Q HA 0.158 4.498 4.340 -0.000 0.000 0.209 152 Q C 0.330 176.420 176.000 0.150 0.000 0.920 152 Q CA 0.635 56.484 55.803 0.077 0.000 0.901 152 Q CB 0.617 29.390 28.738 0.058 0.000 1.021 152 Q HN 0.294 nan 8.270 nan 0.000 0.519 153 E N 2.270 122.628 120.200 0.263 0.000 2.134 153 E HA 0.155 4.505 4.350 -0.000 0.000 0.278 153 E C -1.781 175.070 176.600 0.420 0.000 0.959 153 E CA -2.106 54.496 56.400 0.337 0.000 0.783 153 E CB 1.639 31.632 29.700 0.489 0.000 1.095 153 E HN -0.040 nan 8.360 nan 0.000 0.399 154 P HA -0.185 nan 4.420 nan 0.000 0.226 154 P C 1.188 178.821 177.300 0.556 0.000 1.146 154 P CA 0.809 64.167 63.100 0.430 0.000 0.773 154 P CB 0.166 32.121 31.700 0.425 0.000 0.772 155 Y N 0.729 121.144 120.300 0.192 0.000 2.181 155 Y HA -0.184 4.366 4.550 -0.000 0.000 0.288 155 Y C 1.943 177.958 175.900 0.191 0.000 1.146 155 Y CA 1.630 59.767 58.100 0.062 0.000 1.164 155 Y CB -1.045 37.237 38.460 -0.297 0.000 0.982 155 Y HN -0.212 nan 8.280 nan 0.000 0.515 156 F N -1.502 118.659 119.950 0.352 0.000 2.512 156 F HA -0.039 4.488 4.527 -0.000 0.000 0.296 156 F C 2.345 178.373 175.800 0.381 0.000 1.110 156 F CA 1.402 59.596 58.000 0.323 0.000 1.446 156 F CB -0.701 38.630 39.000 0.552 0.000 1.092 156 F HN -0.129 nan 8.300 nan 0.000 0.554 157 T N -0.631 114.282 114.554 0.598 0.000 3.009 157 T HA -0.143 4.207 4.350 -0.000 0.000 0.258 157 T C 1.821 176.703 174.700 0.304 0.000 1.063 157 T CA 0.391 62.763 62.100 0.454 0.000 1.139 157 T CB -0.373 68.720 68.868 0.375 0.000 0.890 157 T HN 0.471 nan 8.240 nan 0.000 0.471 158 W N 2.645 124.074 121.300 0.216 0.000 2.308 158 W HA -0.140 4.519 4.660 -0.000 0.000 0.301 158 W C -1.661 174.884 176.519 0.042 0.000 1.220 158 W CA 1.190 58.641 57.345 0.176 0.000 1.240 158 W CB -1.134 28.552 29.460 0.377 0.000 1.142 158 W HN 0.278 nan 8.180 nan 0.000 0.521 159 P HA -0.233 nan 4.420 nan 0.000 0.216 159 P C 1.745 178.894 177.300 -0.252 0.000 1.150 159 P CA 1.752 64.772 63.100 -0.133 0.000 0.843 159 P CB -0.428 31.278 31.700 0.009 0.000 0.787 160 L N -1.117 119.932 121.223 -0.291 0.000 2.095 160 L HA -0.007 4.333 4.340 -0.000 0.000 0.204 160 L C 2.144 178.675 176.870 -0.565 0.000 1.080 160 L CA 1.509 56.028 54.840 -0.535 0.000 0.759 160 L CB -1.036 40.539 42.059 -0.807 0.000 0.914 160 L HN -0.145 nan 8.230 nan 0.000 0.439 161 I N -0.209 120.056 120.570 -0.508 0.000 2.286 161 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 161 I C 2.440 178.164 176.117 -0.655 0.000 1.115 161 I CA 1.200 62.193 61.300 -0.512 0.000 1.392 161 I CB -0.604 37.158 38.000 -0.397 0.000 1.065 161 I HN 0.346 nan 8.210 nan 0.000 0.418 162 A N 0.567 122.816 122.820 -0.951 0.000 2.021 162 A HA 0.093 4.413 4.320 -0.000 0.000 0.216 162 A C 2.557 179.913 177.584 -0.379 0.000 1.163 162 A CA 1.080 52.628 52.037 -0.815 0.000 0.676 162 A CB -0.548 17.780 19.000 -1.119 0.000 0.818 162 A HN 0.372 nan 8.150 nan 0.000 0.453 163 A N 0.524 123.165 122.820 -0.298 0.000 1.894 163 A HA -0.332 3.988 4.320 -0.000 0.000 0.220 163 A C 1.781 179.355 177.584 -0.017 0.000 1.237 163 A CA 2.517 54.496 52.037 -0.097 0.000 0.660 163 A CB -0.750 18.252 19.000 0.004 0.000 0.835 163 A HN 0.497 nan 8.150 nan 0.000 0.461 164 D N -3.153 117.276 120.400 0.048 0.000 2.339 164 D HA 0.341 4.981 4.640 -0.000 0.000 0.217 164 D C 0.922 177.215 176.300 -0.010 0.000 1.050 164 D CA 1.200 55.224 54.000 0.040 0.000 0.856 164 D CB 0.186 41.070 40.800 0.140 0.000 0.922 164 D HN 0.510 nan 8.370 nan 0.000 0.518 165 G N -1.342 107.433 108.800 -0.042 0.000 3.859 165 G HA2 0.038 3.998 3.960 -0.000 0.000 0.220 165 G HA3 0.038 3.998 3.960 -0.000 0.000 0.220 165 G C 0.685 175.608 174.900 0.038 0.000 0.892 165 G CA -0.154 44.947 45.100 0.002 0.000 0.858 165 G HN 0.414 nan 8.290 nan 0.000 0.625 166 G N 0.347 109.085 108.800 -0.102 0.000 2.483 166 G HA2 0.665 4.624 3.960 -0.000 0.000 0.248 166 G HA3 0.665 4.624 3.960 -0.000 0.000 0.248 166 G C -0.369 174.563 174.900 0.052 0.000 1.248 166 G CA 0.439 45.460 45.100 -0.131 0.000 0.838 166 G HN 1.377 nan 8.290 nan 0.000 0.566 167 Y N -1.999 118.408 120.300 0.178 0.000 2.750 167 Y HA 0.721 5.271 4.550 -0.000 0.000 0.335 167 Y C -0.610 175.341 175.900 0.085 0.000 1.252 167 Y CA -1.553 56.671 58.100 0.207 0.000 1.064 167 Y CB 1.156 39.628 38.460 0.020 0.000 1.321 167 Y HN 1.020 nan 8.280 nan 0.000 0.451 168 A N 1.849 124.717 122.820 0.080 0.000 2.599 168 A HA 0.678 4.998 4.320 -0.000 0.000 0.281 168 A C -1.559 175.837 177.584 -0.314 0.000 1.137 168 A CA -0.793 50.883 52.037 -0.601 0.000 0.767 168 A CB -0.637 17.445 19.000 -1.530 0.000 1.266 168 A HN 1.249 nan 8.150 nan 0.000 0.420 169 F N -1.439 118.598 119.950 0.146 0.000 2.695 169 F HA -0.167 4.360 4.527 -0.000 0.000 0.305 169 F C 1.177 177.047 175.800 0.116 0.000 1.044 169 F CA 1.029 59.096 58.000 0.112 0.000 1.049 169 F CB -2.065 36.943 39.000 0.013 0.000 1.267 169 F HN 0.960 nan 8.300 nan 0.000 0.828 170 K N 0.269 120.786 120.400 0.194 0.000 2.484 170 K HA 0.475 4.795 4.320 -0.000 0.000 0.280 170 K C 0.394 177.059 176.600 0.107 0.000 1.013 170 K CA 0.304 56.639 56.287 0.080 0.000 1.029 170 K CB -0.722 31.688 32.500 -0.149 0.000 0.902 170 K HN 1.374 nan 8.250 nan 0.000 0.481 171 Y N 0.268 120.639 120.300 0.119 0.000 2.713 171 Y HA 0.467 5.017 4.550 -0.000 0.000 0.341 171 Y C 0.762 176.708 175.900 0.075 0.000 1.167 171 Y CA 0.131 58.299 58.100 0.113 0.000 1.503 171 Y CB -1.255 37.278 38.460 0.123 0.000 1.199 171 Y HN 1.207 nan 8.280 nan 0.000 0.525 172 E N 2.681 122.930 120.200 0.081 0.000 2.378 172 E HA 0.775 5.125 4.350 -0.000 0.000 0.265 172 E C -0.781 175.863 176.600 0.073 0.000 0.932 172 E CA -0.595 55.845 56.400 0.066 0.000 0.795 172 E CB 1.979 31.720 29.700 0.069 0.000 1.296 172 E HN 1.152 nan 8.360 nan 0.000 0.438 173 N N -1.012 117.726 118.700 0.064 0.000 2.525 173 N HA 0.814 5.554 4.740 -0.000 0.000 0.270 173 N C 0.125 175.668 175.510 0.055 0.000 1.321 173 N CA -0.154 52.931 53.050 0.058 0.000 0.797 173 N CB 1.841 40.355 38.487 0.044 0.000 1.529 173 N HN 1.528 nan 8.380 nan 0.000 0.491 174 G N -1.866 106.957 108.800 0.039 0.000 2.368 174 G HA2 0.374 4.334 3.960 -0.000 0.000 0.302 174 G HA3 0.374 4.334 3.960 -0.000 0.000 0.302 174 G C 0.224 175.099 174.900 -0.042 0.000 1.329 174 G CA 0.247 45.354 45.100 0.012 0.000 0.935 174 G HN 0.715 nan 8.290 nan 0.000 0.590 175 K N -1.476 118.815 120.400 -0.182 0.000 2.281 175 K HA 0.282 4.602 4.320 -0.000 0.000 0.203 175 K C 0.750 177.124 176.600 -0.378 0.000 1.046 175 K CA 2.066 58.129 56.287 -0.374 0.000 0.938 175 K CB -0.501 31.575 32.500 -0.708 0.000 0.737 175 K HN 0.711 nan 8.250 nan 0.000 0.458 176 Y N -0.917 119.471 120.300 0.147 0.000 2.598 176 Y HA 0.518 5.067 4.550 -0.000 0.000 0.340 176 Y C -0.056 175.923 175.900 0.132 0.000 1.038 176 Y CA -2.414 55.789 58.100 0.172 0.000 1.100 176 Y CB 1.517 40.069 38.460 0.153 0.000 1.281 176 Y HN 0.124 nan 8.280 nan 0.000 0.488 177 D N 0.726 121.315 120.400 0.315 0.000 2.268 177 D HA 0.552 5.192 4.640 -0.000 0.000 0.249 177 D C -0.980 175.456 176.300 0.228 0.000 1.008 177 D CA -0.124 54.001 54.000 0.209 0.000 0.939 177 D CB 1.347 42.235 40.800 0.148 0.000 1.170 177 D HN 0.495 nan 8.370 nan 0.000 0.468 178 I N 1.549 122.247 120.570 0.213 0.000 2.785 178 I HA 0.307 4.477 4.170 -0.000 0.000 0.302 178 I C -0.196 176.092 176.117 0.286 0.000 1.069 178 I CA -0.875 60.583 61.300 0.262 0.000 1.045 178 I CB 2.191 40.336 38.000 0.242 0.000 1.236 178 I HN -0.007 nan 8.210 nan 0.000 0.429 179 K N 3.720 124.353 120.400 0.388 0.000 2.545 179 K HA 0.438 4.758 4.320 -0.000 0.000 0.252 179 K C -1.704 175.188 176.600 0.486 0.000 0.948 179 K CA -0.506 56.055 56.287 0.457 0.000 0.827 179 K CB 1.985 34.770 32.500 0.474 0.000 1.128 179 K HN 0.531 nan 8.250 nan 0.000 0.429 180 D N 2.443 123.094 120.400 0.419 0.000 2.861 180 D HA 0.217 4.856 4.640 -0.000 0.000 0.216 180 D C -1.115 175.301 176.300 0.193 0.000 1.323 180 D CA -0.311 53.853 54.000 0.273 0.000 0.917 180 D CB 1.812 42.703 40.800 0.151 0.000 1.582 180 D HN 0.084 nan 8.370 nan 0.000 0.576 181 V N 1.397 121.289 119.914 -0.036 0.000 2.630 181 V HA 0.901 5.021 4.120 -0.000 0.000 0.305 181 V C 0.988 176.775 176.094 -0.512 0.000 1.046 181 V CA -0.710 61.359 62.300 -0.384 0.000 0.934 181 V CB 1.952 33.560 31.823 -0.358 0.000 1.003 181 V HN 0.695 nan 8.190 nan 0.000 0.451 182 G N 1.278 109.491 108.800 -0.978 0.000 4.142 182 G HA2 0.461 4.420 3.960 -0.000 0.000 0.310 182 G HA3 0.461 4.420 3.960 -0.000 0.000 0.310 182 G C -0.031 174.564 174.900 -0.508 0.000 1.384 182 G CA 0.277 44.724 45.100 -1.088 0.000 0.838 182 G HN 0.987 nan 8.290 nan 0.000 0.512 183 V N -1.269 118.530 119.914 -0.190 0.000 3.528 183 V HA 0.273 4.393 4.120 -0.000 0.000 0.294 183 V C 0.619 176.705 176.094 -0.014 0.000 1.404 183 V CA 0.669 62.973 62.300 0.006 0.000 1.065 183 V CB 0.567 32.458 31.823 0.112 0.000 0.904 183 V HN 0.350 nan 8.190 nan 0.000 0.435 184 D N 0.388 120.756 120.400 -0.055 0.000 2.535 184 D HA 0.122 4.762 4.640 -0.000 0.000 0.229 184 D C 0.290 176.574 176.300 -0.028 0.000 1.238 184 D CA -0.113 53.873 54.000 -0.022 0.000 0.824 184 D CB -0.612 40.185 40.800 -0.004 0.000 1.045 184 D HN 0.661 nan 8.370 nan 0.000 0.500 185 N N -0.007 118.664 118.700 -0.048 0.000 2.413 185 N HA 0.428 5.168 4.740 -0.000 0.000 0.266 185 N C 1.435 176.930 175.510 -0.025 0.000 1.238 185 N CA -0.117 52.915 53.050 -0.030 0.000 0.972 185 N CB 0.650 39.125 38.487 -0.019 0.000 1.210 185 N HN -0.104 nan 8.380 nan 0.000 0.547 186 A N 0.075 122.882 122.820 -0.021 0.000 1.869 186 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 186 A C 2.116 179.696 177.584 -0.008 0.000 1.203 186 A CA 2.380 54.404 52.037 -0.022 0.000 0.638 186 A CB -1.995 16.989 19.000 -0.026 0.000 0.831 186 A HN 0.829 nan 8.150 nan 0.000 0.450 187 G N -0.659 108.138 108.800 -0.005 0.000 2.529 187 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.219 187 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.219 187 G C 1.823 176.709 174.900 -0.025 0.000 1.177 187 G CA 2.095 47.198 45.100 0.005 0.000 0.773 187 G HN 1.014 nan 8.290 nan 0.000 0.573 188 A N 0.679 123.460 122.820 -0.065 0.000 1.908 188 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 188 A C 2.337 179.882 177.584 -0.066 0.000 1.181 188 A CA 2.211 54.188 52.037 -0.100 0.000 0.627 188 A CB -0.402 18.558 19.000 -0.067 0.000 0.818 188 A HN 0.439 nan 8.150 nan 0.000 0.445 189 K N -0.395 119.987 120.400 -0.029 0.000 2.026 189 K HA -0.030 4.290 4.320 -0.000 0.000 0.208 189 K C 2.342 178.945 176.600 0.006 0.000 1.048 189 K CA 1.138 57.419 56.287 -0.011 0.000 0.929 189 K CB -0.385 32.110 32.500 -0.009 0.000 0.713 189 K HN 0.422 nan 8.250 nan 0.000 0.439 190 A N 1.296 124.143 122.820 0.046 0.000 1.940 190 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 190 A C 2.373 180.013 177.584 0.095 0.000 1.176 190 A CA 2.090 54.222 52.037 0.158 0.000 0.631 190 A CB -1.201 17.945 19.000 0.244 0.000 0.814 190 A HN 0.462 nan 8.150 nan 0.000 0.446 191 G N -0.530 108.193 108.800 -0.128 0.000 2.404 191 G HA2 -0.045 3.914 3.960 -0.000 0.000 0.214 191 G HA3 -0.045 3.914 3.960 -0.000 0.000 0.214 191 G C 1.463 176.149 174.900 -0.357 0.000 1.189 191 G CA 1.016 45.794 45.100 -0.537 0.000 0.789 191 G HN 0.477 nan 8.290 nan 0.000 0.533 192 L N 0.997 122.112 121.223 -0.180 0.000 2.141 192 L HA 0.050 4.390 4.340 -0.000 0.000 0.209 192 L C 2.876 179.710 176.870 -0.060 0.000 1.094 192 L CA 2.226 57.005 54.840 -0.102 0.000 0.763 192 L CB -0.795 41.238 42.059 -0.042 0.000 0.908 192 L HN 0.172 nan 8.230 nan 0.000 0.437 193 T N -0.625 113.913 114.554 -0.026 0.000 2.684 193 T HA -0.244 4.106 4.350 -0.000 0.000 0.267 193 T C 1.629 176.332 174.700 0.005 0.000 1.036 193 T CA 1.948 64.055 62.100 0.012 0.000 1.148 193 T CB -0.561 68.340 68.868 0.055 0.000 0.863 193 T HN 0.398 nan 8.240 nan 0.000 0.436 194 F N 1.663 121.540 119.950 -0.121 0.000 2.126 194 F HA -0.094 4.432 4.527 -0.000 0.000 0.299 194 F C 1.942 177.674 175.800 -0.113 0.000 1.096 194 F CA 0.883 58.816 58.000 -0.112 0.000 1.255 194 F CB -0.399 38.427 39.000 -0.290 0.000 0.997 194 F HN 0.074 nan 8.300 nan 0.000 0.479 195 L N -0.273 120.891 121.223 -0.098 0.000 2.093 195 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 195 L C 2.067 178.880 176.870 -0.095 0.000 1.085 195 L CA 1.540 56.324 54.840 -0.095 0.000 0.755 195 L CB -1.033 40.986 42.059 -0.067 0.000 0.904 195 L HN 0.036 nan 8.230 nan 0.000 0.435 196 V N 0.064 119.929 119.914 -0.082 0.000 2.427 196 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 196 V C 2.242 178.287 176.094 -0.082 0.000 1.051 196 V CA 1.788 64.052 62.300 -0.060 0.000 1.048 196 V CB -0.787 31.017 31.823 -0.032 0.000 0.666 196 V HN 0.429 nan 8.190 nan 0.000 0.456 197 D N 0.265 120.589 120.400 -0.127 0.000 2.117 197 D HA -0.117 4.523 4.640 -0.000 0.000 0.197 197 D C 2.123 178.344 176.300 -0.133 0.000 0.987 197 D CA 1.110 55.029 54.000 -0.136 0.000 0.829 197 D CB -0.314 40.377 40.800 -0.182 0.000 0.961 197 D HN 0.322 nan 8.370 nan 0.000 0.460 198 L N 0.396 121.513 121.223 -0.176 0.000 2.187 198 L HA -0.144 4.196 4.340 -0.000 0.000 0.213 198 L C 2.264 179.131 176.870 -0.004 0.000 1.100 198 L CA 0.737 55.570 54.840 -0.011 0.000 0.765 198 L CB -0.287 41.775 42.059 0.006 0.000 0.904 198 L HN 0.082 nan 8.230 nan 0.000 0.437 199 I N -1.059 119.482 120.570 -0.049 0.000 2.703 199 I HA -0.157 4.012 4.170 -0.000 0.000 0.259 199 I C 2.396 178.466 176.117 -0.079 0.000 1.151 199 I CA 0.620 61.889 61.300 -0.052 0.000 1.470 199 I CB -0.209 37.763 38.000 -0.045 0.000 1.112 199 I HN 0.154 nan 8.210 nan 0.000 0.437 200 K N 1.044 121.393 120.400 -0.084 0.000 2.057 200 K HA -0.082 4.238 4.320 -0.000 0.000 0.207 200 K C 0.975 177.496 176.600 -0.132 0.000 1.049 200 K CA 1.086 57.322 56.287 -0.084 0.000 0.931 200 K CB -0.285 32.177 32.500 -0.063 0.000 0.714 200 K HN 0.297 nan 8.250 nan 0.000 0.440 201 N N 1.616 120.189 118.700 -0.211 0.000 2.413 201 N HA 0.004 4.744 4.740 -0.000 0.000 0.207 201 N C -0.504 174.674 175.510 -0.553 0.000 1.206 201 N CA 0.246 53.066 53.050 -0.384 0.000 0.832 201 N CB 0.302 38.501 38.487 -0.480 0.000 1.037 201 N HN 0.154 nan 8.380 nan 0.000 0.467 202 K N -0.348 119.879 120.400 -0.289 0.000 2.960 202 K HA -0.225 4.095 4.320 -0.000 0.000 0.259 202 K C 0.186 176.706 176.600 -0.132 0.000 1.025 202 K CA 0.596 56.776 56.287 -0.178 0.000 0.756 202 K CB -1.159 31.267 32.500 -0.125 0.000 1.221 202 K HN 0.448 nan 8.250 nan 0.000 0.483 203 H N -0.839 118.233 119.070 0.003 0.000 2.470 203 H HA 0.169 4.725 4.556 -0.000 0.000 0.289 203 H C 1.058 176.409 175.328 0.038 0.000 1.033 203 H CA 0.943 57.007 56.048 0.028 0.000 1.331 203 H CB 0.214 29.998 29.762 0.036 0.000 1.414 203 H HN 0.281 nan 8.280 nan 0.000 0.545 204 M N -0.137 119.534 119.600 0.117 0.000 2.631 204 M HA 0.226 4.706 4.480 -0.000 0.000 0.288 204 M C -0.852 175.447 176.300 -0.003 0.000 1.260 204 M CA -0.810 54.524 55.300 0.057 0.000 0.842 204 M CB 2.819 35.451 32.600 0.053 0.000 1.743 204 M HN -0.142 nan 8.290 nan 0.000 0.461 205 N N -0.090 118.593 118.700 -0.029 0.000 2.443 205 N HA 0.518 5.258 4.740 -0.000 0.000 0.269 205 N C 0.402 175.876 175.510 -0.060 0.000 0.985 205 N CA 0.049 53.075 53.050 -0.039 0.000 0.921 205 N CB 1.692 40.162 38.487 -0.029 0.000 1.195 205 N HN 0.741 nan 8.380 nan 0.000 0.492 206 A N 2.999 125.788 122.820 -0.052 0.000 1.985 206 A HA -0.257 4.063 4.320 -0.000 0.000 0.223 206 A C 0.913 178.464 177.584 -0.054 0.000 1.189 206 A CA 2.343 54.348 52.037 -0.053 0.000 0.658 206 A CB -0.592 18.387 19.000 -0.035 0.000 0.820 206 A HN 0.857 nan 8.150 nan 0.000 0.464 207 D N -1.470 118.904 120.400 -0.044 0.000 2.587 207 D HA 0.208 4.848 4.640 -0.000 0.000 0.233 207 D C -0.241 176.033 176.300 -0.043 0.000 1.213 207 D CA -0.000 53.978 54.000 -0.037 0.000 0.827 207 D CB -0.791 39.996 40.800 -0.021 0.000 1.006 207 D HN 0.083 nan 8.370 nan 0.000 0.490 208 T N 1.465 115.976 114.554 -0.071 0.000 2.814 208 T HA 0.338 4.688 4.350 -0.000 0.000 0.297 208 T C -0.049 174.596 174.700 -0.092 0.000 0.956 208 T CA -0.375 61.676 62.100 -0.081 0.000 1.123 208 T CB 0.904 69.703 68.868 -0.115 0.000 0.902 208 T HN 0.364 nan 8.240 nan 0.000 0.528 209 D N 1.234 121.601 120.400 -0.055 0.000 2.627 209 D HA 0.177 4.817 4.640 -0.000 0.000 0.259 209 D C 1.132 177.412 176.300 -0.033 0.000 1.164 209 D CA -0.939 53.044 54.000 -0.030 0.000 1.087 209 D CB 0.059 40.874 40.800 0.025 0.000 1.217 209 D HN 0.362 nan 8.370 nan 0.000 0.630 210 Y N 0.302 120.541 120.300 -0.102 0.000 2.114 210 Y HA -0.246 4.304 4.550 -0.000 0.000 0.282 210 Y C 2.369 178.255 175.900 -0.023 0.000 1.165 210 Y CA 2.576 60.618 58.100 -0.095 0.000 1.148 210 Y CB -0.255 38.191 38.460 -0.023 0.000 0.972 210 Y HN 0.302 nan 8.280 nan 0.000 0.504 211 S N 0.408 116.173 115.700 0.109 0.000 2.355 211 S HA -0.183 4.287 4.470 -0.000 0.000 0.222 211 S C 2.002 176.591 174.600 -0.018 0.000 1.031 211 S CA 1.640 59.872 58.200 0.053 0.000 0.993 211 S CB -0.521 62.740 63.200 0.101 0.000 0.859 211 S HN 0.474 nan 8.310 nan 0.000 0.453 212 I N 1.845 122.405 120.570 -0.015 0.000 2.208 212 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 212 I C 2.697 178.795 176.117 -0.031 0.000 1.097 212 I CA 1.145 62.435 61.300 -0.018 0.000 1.363 212 I CB -0.523 37.466 38.000 -0.018 0.000 1.051 212 I HN 0.267 nan 8.210 nan 0.000 0.413 213 A N 0.429 123.203 122.820 -0.077 0.000 1.873 213 A HA -0.261 4.059 4.320 -0.000 0.000 0.215 213 A C 2.327 179.877 177.584 -0.057 0.000 1.186 213 A CA 1.917 53.913 52.037 -0.069 0.000 0.616 213 A CB -0.672 18.252 19.000 -0.126 0.000 0.823 213 A HN 0.493 nan 8.150 nan 0.000 0.442 214 E N -0.075 120.025 120.200 -0.167 0.000 2.038 214 E HA -0.152 4.197 4.350 -0.000 0.000 0.195 214 E C 2.155 178.766 176.600 0.019 0.000 1.000 214 E CA 1.285 57.615 56.400 -0.117 0.000 0.803 214 E CB -0.317 29.248 29.700 -0.226 0.000 0.750 214 E HN 0.500 nan 8.360 nan 0.000 0.448 215 A N 1.350 124.173 122.820 0.005 0.000 1.865 215 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 215 A C 2.473 180.078 177.584 0.035 0.000 1.191 215 A CA 2.265 54.317 52.037 0.024 0.000 0.623 215 A CB -1.140 17.870 19.000 0.017 0.000 0.826 215 A HN 0.463 nan 8.150 nan 0.000 0.444 216 A N -1.107 121.740 122.820 0.044 0.000 1.873 216 A HA -0.144 4.175 4.320 -0.000 0.000 0.218 216 A C 2.132 179.763 177.584 0.080 0.000 1.193 216 A CA 1.901 53.971 52.037 0.055 0.000 0.629 216 A CB -0.890 18.148 19.000 0.064 0.000 0.826 216 A HN 0.791 nan 8.150 nan 0.000 0.447 217 F N 1.243 121.179 119.950 -0.024 0.000 2.102 217 F HA -0.157 4.370 4.527 -0.000 0.000 0.298 217 F C 1.907 177.687 175.800 -0.034 0.000 1.105 217 F CA 2.066 60.053 58.000 -0.021 0.000 1.239 217 F CB -0.471 38.512 39.000 -0.028 0.000 0.991 217 F HN 0.311 nan 8.300 nan 0.000 0.474 218 N N -0.101 118.630 118.700 0.051 0.000 2.573 218 N HA -0.111 4.629 4.740 -0.000 0.000 0.187 218 N C 0.823 176.266 175.510 -0.111 0.000 1.107 218 N CA 0.436 53.451 53.050 -0.058 0.000 0.918 218 N CB -0.088 38.424 38.487 0.041 0.000 0.966 218 N HN 0.368 nan 8.380 nan 0.000 0.448 219 K N -0.162 120.178 120.400 -0.101 0.000 2.414 219 K HA 0.132 4.452 4.320 -0.000 0.000 0.204 219 K C 0.732 177.264 176.600 -0.113 0.000 1.026 219 K CA -0.085 56.154 56.287 -0.081 0.000 1.108 219 K CB 0.989 33.467 32.500 -0.036 0.000 0.855 219 K HN 0.087 nan 8.250 nan 0.000 0.517 220 G N 2.036 110.711 108.800 -0.208 0.000 2.187 220 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.261 220 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.261 220 G C 0.513 175.349 174.900 -0.106 0.000 1.000 220 G CA 0.769 45.743 45.100 -0.210 0.000 0.718 220 G HN 0.484 nan 8.290 nan 0.000 0.519 221 E N -1.045 119.118 120.200 -0.063 0.000 2.358 221 E HA 0.118 4.468 4.350 -0.000 0.000 0.195 221 E C 1.083 177.696 176.600 0.022 0.000 1.010 221 E CA 1.048 57.441 56.400 -0.012 0.000 0.856 221 E CB 0.295 29.997 29.700 0.003 0.000 0.795 221 E HN 0.346 nan 8.360 nan 0.000 0.504 222 T N -1.498 113.083 114.554 0.045 0.000 2.921 222 T HA 0.450 4.800 4.350 -0.000 0.000 0.297 222 T C 0.456 175.255 174.700 0.164 0.000 1.013 222 T CA -0.129 62.038 62.100 0.113 0.000 0.990 222 T CB 1.577 70.538 68.868 0.156 0.000 1.023 222 T HN -0.011 nan 8.240 nan 0.000 0.447 223 A N 5.031 127.943 122.820 0.154 0.000 1.940 223 A HA 0.204 4.524 4.320 -0.000 0.000 0.219 223 A C 0.957 178.750 177.584 0.348 0.000 1.176 223 A CA 1.251 53.403 52.037 0.191 0.000 0.631 223 A CB -0.366 18.714 19.000 0.134 0.000 0.814 223 A HN 0.776 nan 8.150 nan 0.000 0.446 224 M N -3.327 116.459 119.600 0.311 0.000 2.719 224 M HA 0.593 5.073 4.480 -0.000 0.000 0.291 224 M C -0.463 175.913 176.300 0.126 0.000 1.264 224 M CA -0.395 55.053 55.300 0.247 0.000 0.811 224 M CB 2.358 35.021 32.600 0.105 0.000 1.756 224 M HN 0.059 nan 8.290 nan 0.000 0.464 225 T N 0.299 114.801 114.554 -0.086 0.000 2.775 225 T HA 0.640 4.990 4.350 -0.000 0.000 0.320 225 T C -2.224 172.390 174.700 -0.143 0.000 1.597 225 T CA -0.609 61.424 62.100 -0.112 0.000 1.022 225 T CB 1.323 69.983 68.868 -0.346 0.000 1.485 225 T HN 0.581 nan 8.240 nan 0.000 0.494 226 I N 3.639 124.179 120.570 -0.049 0.000 2.436 226 I HA 0.587 4.757 4.170 -0.000 0.000 0.289 226 I C -0.078 176.157 176.117 0.197 0.000 1.010 226 I CA -0.733 60.548 61.300 -0.031 0.000 1.098 226 I CB 1.756 39.618 38.000 -0.230 0.000 1.266 226 I HN 0.504 nan 8.210 nan 0.000 0.434 227 N N 2.784 121.563 118.700 0.131 0.000 3.179 227 N HA 0.500 5.240 4.740 -0.000 0.000 0.250 227 N C -0.927 174.491 175.510 -0.154 0.000 1.507 227 N CA -0.373 52.801 53.050 0.206 0.000 0.883 227 N CB 2.377 40.907 38.487 0.072 0.000 1.435 227 N HN 0.652 nan 8.380 nan 0.000 0.532 228 G N 0.120 108.519 108.800 -0.669 0.000 2.521 228 G HA2 0.459 4.419 3.960 -0.000 0.000 0.323 228 G HA3 0.459 4.419 3.960 -0.000 0.000 0.323 228 G C -1.885 171.975 174.900 -1.734 0.000 1.211 228 G CA -1.071 43.089 45.100 -1.567 0.000 0.979 228 G HN 0.317 nan 8.290 nan 0.000 0.490 229 P HA -0.142 nan 4.420 nan 0.000 0.216 229 P C 1.424 177.867 177.300 -1.428 0.000 1.150 229 P CA 1.875 63.721 63.100 -2.090 0.000 0.843 229 P CB -0.026 30.878 31.700 -1.326 0.000 0.787 230 W N -0.025 120.973 121.300 -0.504 0.000 2.341 230 W HA -0.075 4.585 4.660 -0.000 0.000 0.283 230 W C 1.959 178.390 176.519 -0.146 0.000 1.215 230 W CA 1.020 58.212 57.345 -0.255 0.000 1.211 230 W CB -2.017 27.352 29.460 -0.152 0.000 1.131 230 W HN -0.132 nan 8.180 nan 0.000 0.552 231 A N 0.255 122.852 122.820 -0.372 0.000 2.066 231 A HA -0.031 4.289 4.320 -0.000 0.000 0.218 231 A C 1.625 179.224 177.584 0.025 0.000 1.157 231 A CA 1.066 53.071 52.037 -0.053 0.000 0.670 231 A CB -1.212 17.730 19.000 -0.096 0.000 0.804 231 A HN 0.421 nan 8.150 nan 0.000 0.453 232 W N 0.229 121.471 121.300 -0.098 0.000 2.338 232 W HA -0.151 4.509 4.660 -0.000 0.000 0.304 232 W C 2.781 179.277 176.519 -0.037 0.000 1.212 232 W CA 0.713 58.008 57.345 -0.083 0.000 1.264 232 W CB -1.583 27.908 29.460 0.052 0.000 1.142 232 W HN 0.422 nan 8.180 nan 0.000 0.512 233 S N 0.780 116.614 115.700 0.223 0.000 2.372 233 S HA -0.223 4.247 4.470 -0.000 0.000 0.227 233 S C 1.722 176.380 174.600 0.096 0.000 1.044 233 S CA 1.968 60.256 58.200 0.147 0.000 1.050 233 S CB -0.389 62.871 63.200 0.100 0.000 0.901 233 S HN 0.207 nan 8.310 nan 0.000 0.447 234 N N 1.031 119.778 118.700 0.079 0.000 2.331 234 N HA 0.099 4.839 4.740 -0.000 0.000 0.180 234 N C 1.732 177.257 175.510 0.025 0.000 1.019 234 N CA 1.057 54.140 53.050 0.056 0.000 0.881 234 N CB -0.381 38.148 38.487 0.070 0.000 0.972 234 N HN 0.519 nan 8.380 nan 0.000 0.435 235 I N 0.940 121.496 120.570 -0.023 0.000 2.353 235 I HA -0.178 3.992 4.170 -0.000 0.000 0.248 235 I C 1.370 177.444 176.117 -0.071 0.000 1.119 235 I CA 0.926 62.146 61.300 -0.134 0.000 1.417 235 I CB -0.192 37.499 38.000 -0.516 0.000 1.078 235 I HN -0.096 nan 8.210 nan 0.000 0.421 236 D N 0.800 121.220 120.400 0.033 0.000 2.144 236 D HA -0.137 4.503 4.640 -0.000 0.000 0.199 236 D C 2.163 178.510 176.300 0.079 0.000 0.984 236 D CA 1.481 55.565 54.000 0.139 0.000 0.834 236 D CB -0.320 40.576 40.800 0.160 0.000 0.955 236 D HN 0.238 nan 8.370 nan 0.000 0.465 237 T N -0.169 114.417 114.554 0.052 0.000 3.035 237 T HA -0.079 4.271 4.350 -0.000 0.000 0.268 237 T C 1.721 176.433 174.700 0.021 0.000 1.109 237 T CA 1.115 63.237 62.100 0.036 0.000 1.119 237 T CB -0.115 68.773 68.868 0.033 0.000 0.900 237 T HN 0.172 nan 8.240 nan 0.000 0.503 238 S N 0.345 116.051 115.700 0.010 0.000 2.634 238 S HA 0.348 4.818 4.470 -0.000 0.000 0.221 238 S C 1.288 175.877 174.600 -0.018 0.000 0.952 238 S CA 0.604 58.796 58.200 -0.013 0.000 0.930 238 S CB -0.723 62.455 63.200 -0.036 0.000 0.780 238 S HN 0.569 nan 8.310 nan 0.000 0.498 239 K N -0.321 120.084 120.400 0.007 0.000 2.960 239 K HA -0.142 4.178 4.320 -0.000 0.000 0.259 239 K C 0.154 176.749 176.600 -0.008 0.000 1.025 239 K CA 1.291 57.582 56.287 0.007 0.000 0.756 239 K CB -2.877 29.620 32.500 -0.005 0.000 1.221 239 K HN 0.589 nan 8.250 nan 0.000 0.483 240 V N 1.693 121.601 119.914 -0.010 0.000 2.461 240 V HA 0.251 4.371 4.120 -0.000 0.000 0.275 240 V C 0.663 176.791 176.094 0.057 0.000 1.047 240 V CA -0.905 61.363 62.300 -0.052 0.000 0.955 240 V CB 1.694 33.399 31.823 -0.196 0.000 0.988 240 V HN 0.642 nan 8.190 nan 0.000 0.471 241 N N 4.990 123.687 118.700 -0.005 0.000 2.415 241 N HA 0.135 4.875 4.740 -0.000 0.000 0.250 241 N C -0.851 174.648 175.510 -0.019 0.000 1.127 241 N CA -0.083 52.954 53.050 -0.021 0.000 0.945 241 N CB 0.306 38.754 38.487 -0.064 0.000 1.196 241 N HN 0.667 nan 8.380 nan 0.000 0.499 242 Y N 0.718 120.924 120.300 -0.156 0.000 2.621 242 Y HA 0.863 5.413 4.550 -0.000 0.000 0.334 242 Y C 0.084 175.770 175.900 -0.357 0.000 1.074 242 Y CA -1.499 56.482 58.100 -0.197 0.000 1.149 242 Y CB 0.777 39.270 38.460 0.055 0.000 1.302 242 Y HN 0.259 nan 8.280 nan 0.000 0.501 243 G N 0.202 108.651 108.800 -0.584 0.000 2.620 243 G HA2 0.550 4.510 3.960 -0.000 0.000 0.301 243 G HA3 0.550 4.510 3.960 -0.000 0.000 0.301 243 G C -2.218 172.535 174.900 -0.245 0.000 1.347 243 G CA -1.056 43.672 45.100 -0.619 0.000 0.971 243 G HN 0.664 nan 8.290 nan 0.000 0.488 244 V N 1.378 121.203 119.914 -0.149 0.000 2.313 244 V HA 0.650 4.770 4.120 -0.000 0.000 0.278 244 V C 0.421 176.547 176.094 0.054 0.000 1.017 244 V CA -0.363 61.929 62.300 -0.013 0.000 0.823 244 V CB 0.736 32.472 31.823 -0.146 0.000 1.010 244 V HN 0.879 nan 8.190 nan 0.000 0.443 245 T N 3.203 117.836 114.554 0.131 0.000 2.858 245 T HA 0.560 4.909 4.350 -0.000 0.000 0.285 245 T C -0.405 174.303 174.700 0.013 0.000 1.052 245 T CA -0.402 61.740 62.100 0.070 0.000 1.009 245 T CB 2.025 70.936 68.868 0.072 0.000 1.241 245 T HN 0.405 nan 8.240 nan 0.000 0.542 246 V N 2.588 122.487 119.914 -0.025 0.000 2.872 246 V HA 0.318 4.438 4.120 -0.000 0.000 0.307 246 V C 0.099 176.148 176.094 -0.076 0.000 1.072 246 V CA 0.008 62.283 62.300 -0.041 0.000 1.148 246 V CB 0.063 31.857 31.823 -0.049 0.000 0.954 246 V HN 0.697 nan 8.190 nan 0.000 0.490 247 L N 7.667 128.850 121.223 -0.067 0.000 2.397 247 L HA 0.330 4.669 4.340 -0.000 0.000 0.271 247 L C -2.035 174.752 176.870 -0.138 0.000 1.148 247 L CA -1.604 53.173 54.840 -0.106 0.000 0.825 247 L CB 0.611 42.652 42.059 -0.030 0.000 1.117 247 L HN 0.546 nan 8.230 nan 0.000 0.456 248 P HA -0.016 nan 4.420 nan 0.000 0.264 248 P C -0.384 176.872 177.300 -0.072 0.000 1.183 248 P CA -0.113 62.764 63.100 -0.372 0.000 0.763 248 P CB 0.348 31.485 31.700 -0.938 0.000 0.807 249 T N 0.160 114.723 114.554 0.014 0.000 2.849 249 T HA 0.540 4.890 4.350 -0.000 0.000 0.284 249 T C -0.712 174.166 174.700 0.296 0.000 1.004 249 T CA -0.429 61.750 62.100 0.131 0.000 1.021 249 T CB 0.380 69.261 68.868 0.023 0.000 1.013 249 T HN 0.196 nan 8.240 nan 0.000 0.527 250 F N 1.288 121.262 119.950 0.041 0.000 2.539 250 F HA 0.496 5.023 4.527 -0.000 0.000 0.318 250 F C 0.395 176.122 175.800 -0.122 0.000 1.135 250 F CA -1.262 56.679 58.000 -0.098 0.000 0.915 250 F CB 1.306 40.150 39.000 -0.260 0.000 1.176 250 F HN 0.892 nan 8.300 nan 0.000 0.440 251 K N 4.688 124.627 120.400 -0.768 0.000 3.077 251 K HA -0.199 4.121 4.320 -0.000 0.000 0.264 251 K C 0.910 177.329 176.600 -0.302 0.000 1.008 251 K CA 0.865 56.774 56.287 -0.630 0.000 0.740 251 K CB -1.616 30.374 32.500 -0.850 0.000 1.273 251 K HN 1.462 nan 8.250 nan 0.000 0.477 252 G N -0.233 108.453 108.800 -0.191 0.000 2.196 252 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.268 252 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.268 252 G C -0.058 174.791 174.900 -0.086 0.000 0.975 252 G CA 1.078 46.108 45.100 -0.116 0.000 0.648 252 G HN 0.493 nan 8.290 nan 0.000 0.538 253 Q N 0.575 120.327 119.800 -0.080 0.000 2.306 253 Q HA 0.538 4.878 4.340 -0.000 0.000 0.265 253 Q C -2.404 173.600 176.000 0.005 0.000 1.022 253 Q CA -2.141 53.636 55.803 -0.042 0.000 0.853 253 Q CB 2.759 31.468 28.738 -0.050 0.000 1.327 253 Q HN 0.248 nan 8.270 nan 0.000 0.449 254 P HA 0.046 nan 4.420 nan 0.000 0.274 254 P C -0.865 176.451 177.300 0.027 0.000 1.231 254 P CA -0.288 62.821 63.100 0.015 0.000 0.790 254 P CB 0.956 32.651 31.700 -0.008 0.000 0.951 255 S N 1.811 117.547 115.700 0.059 0.000 2.531 255 S HA 0.126 4.596 4.470 -0.000 0.000 0.279 255 S C 0.318 174.909 174.600 -0.014 0.000 1.305 255 S CA -0.348 57.879 58.200 0.046 0.000 1.058 255 S CB -0.146 63.139 63.200 0.142 0.000 0.899 255 S HN 0.278 nan 8.310 nan 0.000 0.493 256 K N 4.076 124.427 120.400 -0.081 0.000 2.360 256 K HA 0.253 4.573 4.320 -0.000 0.000 0.235 256 K C -2.553 174.018 176.600 -0.049 0.000 1.077 256 K CA -1.750 54.493 56.287 -0.073 0.000 1.035 256 K CB 0.466 32.895 32.500 -0.118 0.000 1.623 256 K HN 0.403 nan 8.250 nan 0.000 0.462 257 P HA -0.016 nan 4.420 nan 0.000 0.271 257 P C -0.564 176.904 177.300 0.280 0.000 1.216 257 P CA -0.277 62.892 63.100 0.115 0.000 0.776 257 P CB 0.519 32.243 31.700 0.039 0.000 0.881 258 F N 2.669 122.873 119.950 0.423 0.000 2.502 258 F HA 0.040 4.566 4.527 -0.000 0.000 0.371 258 F C 0.580 176.610 175.800 0.384 0.000 1.083 258 F CA -0.223 58.045 58.000 0.448 0.000 1.174 258 F CB 0.126 39.455 39.000 0.547 0.000 1.096 258 F HN 0.017 nan 8.300 nan 0.000 0.545 259 V N 4.771 125.053 119.914 0.614 0.000 2.498 259 V HA 0.585 4.705 4.120 -0.000 0.000 0.279 259 V C 0.620 177.004 176.094 0.482 0.000 1.048 259 V CA -0.449 62.121 62.300 0.450 0.000 0.967 259 V CB 0.810 32.832 31.823 0.331 0.000 0.988 259 V HN 0.859 nan 8.190 nan 0.000 0.473 260 G N 2.968 112.021 108.800 0.421 0.000 2.481 260 G HA2 0.627 4.587 3.960 -0.000 0.000 0.315 260 G HA3 0.627 4.587 3.960 -0.000 0.000 0.315 260 G C -1.337 173.727 174.900 0.274 0.000 1.231 260 G CA -0.567 44.777 45.100 0.407 0.000 0.968 260 G HN 0.535 nan 8.290 nan 0.000 0.482 261 V N 2.400 122.493 119.914 0.298 0.000 2.334 261 V HA 0.247 4.366 4.120 -0.000 0.000 0.281 261 V C 0.047 176.150 176.094 0.014 0.000 1.016 261 V CA -0.779 61.546 62.300 0.042 0.000 0.832 261 V CB 1.134 32.830 31.823 -0.212 0.000 0.999 261 V HN 0.721 nan 8.190 nan 0.000 0.439 262 L N 6.001 127.220 121.223 -0.007 0.000 2.559 262 L HA 0.311 4.651 4.340 -0.000 0.000 0.274 262 L C 0.325 177.170 176.870 -0.040 0.000 1.205 262 L CA 1.243 56.073 54.840 -0.015 0.000 0.907 262 L CB 0.346 42.433 42.059 0.047 0.000 1.153 262 L HN 0.753 nan 8.230 nan 0.000 0.490 263 S N 3.455 119.072 115.700 -0.139 0.000 2.599 263 S HA 0.902 5.372 4.470 -0.000 0.000 0.287 263 S C -0.781 173.589 174.600 -0.383 0.000 1.105 263 S CA -0.375 57.630 58.200 -0.325 0.000 0.899 263 S CB 1.837 64.638 63.200 -0.665 0.000 1.100 263 S HN 0.926 nan 8.310 nan 0.000 0.482 264 A N 1.230 123.790 122.820 -0.433 0.000 2.310 264 A HA 0.782 5.102 4.320 -0.000 0.000 0.304 264 A C 0.181 177.737 177.584 -0.046 0.000 1.231 264 A CA -0.588 51.065 52.037 -0.641 0.000 0.799 264 A CB 0.405 18.730 19.000 -1.126 0.000 1.162 264 A HN 0.933 nan 8.150 nan 0.000 0.486 265 G N 1.182 110.105 108.800 0.205 0.000 2.417 265 G HA2 0.587 4.547 3.960 -0.000 0.000 0.334 265 G HA3 0.587 4.547 3.960 -0.000 0.000 0.334 265 G C -0.535 174.416 174.900 0.085 0.000 1.150 265 G CA -0.656 44.609 45.100 0.275 0.000 0.923 265 G HN 0.678 nan 8.290 nan 0.000 0.485 266 I N 1.495 122.132 120.570 0.112 0.000 2.353 266 I HA 0.120 4.289 4.170 -0.000 0.000 0.293 266 I C 0.118 176.274 176.117 0.065 0.000 0.992 266 I CA -0.911 60.432 61.300 0.070 0.000 1.268 266 I CB 1.519 39.577 38.000 0.097 0.000 1.387 266 I HN 0.340 nan 8.210 nan 0.000 0.478 267 N N 4.543 123.271 118.700 0.046 0.000 2.447 267 N HA 0.033 4.773 4.740 -0.000 0.000 0.263 267 N C 0.809 176.331 175.510 0.020 0.000 1.226 267 N CA 0.236 53.328 53.050 0.069 0.000 0.906 267 N CB 1.535 40.031 38.487 0.015 0.000 1.060 267 N HN 0.787 nan 8.380 nan 0.000 0.468 268 A N 3.771 126.600 122.820 0.015 0.000 2.070 268 A HA -0.066 4.254 4.320 -0.000 0.000 0.220 268 A C 1.762 179.329 177.584 -0.029 0.000 1.159 268 A CA 1.756 53.792 52.037 -0.002 0.000 0.656 268 A CB -0.303 18.694 19.000 -0.005 0.000 0.800 268 A HN 0.741 nan 8.150 nan 0.000 0.453 269 A N -0.903 121.883 122.820 -0.057 0.000 2.238 269 A HA 0.366 4.686 4.320 -0.000 0.000 0.210 269 A C 1.308 178.857 177.584 -0.058 0.000 1.179 269 A CA 0.643 52.639 52.037 -0.067 0.000 0.827 269 A CB -0.413 18.525 19.000 -0.103 0.000 0.856 269 A HN 0.421 nan 8.150 nan 0.000 0.488 270 S N 1.436 117.107 115.700 -0.048 0.000 2.525 270 S HA 0.216 4.686 4.470 -0.000 0.000 0.285 270 S C -1.131 173.452 174.600 -0.028 0.000 1.283 270 S CA -0.707 57.466 58.200 -0.044 0.000 1.072 270 S CB 0.732 63.911 63.200 -0.035 0.000 0.867 270 S HN 0.348 nan 8.310 nan 0.000 0.492 271 P HA 0.146 nan 4.420 nan 0.000 0.255 271 P C -0.442 176.854 177.300 -0.007 0.000 1.248 271 P CA 0.163 63.252 63.100 -0.018 0.000 0.807 271 P CB 0.087 31.773 31.700 -0.022 0.000 1.150 272 N N 0.478 119.172 118.700 -0.009 0.000 2.541 272 N HA 0.129 4.869 4.740 -0.000 0.000 0.297 272 N C 0.908 176.426 175.510 0.013 0.000 1.503 272 N CA -0.261 52.792 53.050 0.005 0.000 0.919 272 N CB 0.458 38.943 38.487 -0.004 0.000 1.305 272 N HN 0.153 nan 8.380 nan 0.000 0.501 273 K N 0.422 120.833 120.400 0.019 0.000 2.211 273 K HA -0.101 4.219 4.320 -0.000 0.000 0.204 273 K C 1.156 177.787 176.600 0.052 0.000 1.047 273 K CA 0.966 57.273 56.287 0.034 0.000 0.935 273 K CB 0.386 32.907 32.500 0.034 0.000 0.728 273 K HN 0.166 nan 8.250 nan 0.000 0.452 274 E N 0.962 121.193 120.200 0.051 0.000 2.033 274 E HA -0.061 4.289 4.350 -0.000 0.000 0.189 274 E C 2.160 178.815 176.600 0.092 0.000 0.979 274 E CA 0.713 57.153 56.400 0.068 0.000 0.802 274 E CB -0.253 29.483 29.700 0.061 0.000 0.763 274 E HN 0.228 nan 8.360 nan 0.000 0.449 275 L N 0.890 122.175 121.223 0.102 0.000 2.081 275 L HA -0.224 4.116 4.340 -0.000 0.000 0.212 275 L C 2.502 179.422 176.870 0.082 0.000 1.080 275 L CA 1.302 56.245 54.840 0.172 0.000 0.754 275 L CB -0.512 41.647 42.059 0.166 0.000 0.893 275 L HN 0.075 nan 8.230 nan 0.000 0.433 276 A N -0.088 122.744 122.820 0.021 0.000 1.902 276 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 276 A C 2.410 180.006 177.584 0.020 0.000 1.181 276 A CA 2.061 54.092 52.037 -0.011 0.000 0.623 276 A CB -0.464 18.540 19.000 0.007 0.000 0.818 276 A HN 0.362 nan 8.150 nan 0.000 0.443 277 K N -0.322 120.107 120.400 0.049 0.000 2.097 277 K HA -0.192 4.128 4.320 -0.000 0.000 0.205 277 K C 2.068 178.651 176.600 -0.028 0.000 1.050 277 K CA 1.632 57.931 56.287 0.020 0.000 0.938 277 K CB -0.168 32.383 32.500 0.085 0.000 0.718 277 K HN 0.633 nan 8.250 nan 0.000 0.442 278 E N -0.325 119.929 120.200 0.091 0.000 2.051 278 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 278 E C 1.865 178.624 176.600 0.266 0.000 0.991 278 E CA 1.121 57.644 56.400 0.205 0.000 0.799 278 E CB -0.199 29.712 29.700 0.352 0.000 0.748 278 E HN 0.349 nan 8.360 nan 0.000 0.449 279 F N 1.208 121.113 119.950 -0.075 0.000 2.075 279 F HA -0.173 4.354 4.527 -0.000 0.000 0.297 279 F C 1.915 177.661 175.800 -0.091 0.000 1.113 279 F CA 1.486 59.293 58.000 -0.322 0.000 1.218 279 F CB -0.227 38.236 39.000 -0.895 0.000 0.984 279 F HN -0.004 nan 8.300 nan 0.000 0.472 280 L N -0.111 121.003 121.223 -0.182 0.000 2.093 280 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 280 L C 2.318 178.939 176.870 -0.415 0.000 1.085 280 L CA 1.596 56.218 54.840 -0.364 0.000 0.755 280 L CB -0.646 41.076 42.059 -0.563 0.000 0.904 280 L HN 0.223 nan 8.230 nan 0.000 0.435 281 E N -0.332 119.602 120.200 -0.443 0.000 2.102 281 E HA -0.053 4.296 4.350 -0.000 0.000 0.190 281 E C 1.451 178.030 176.600 -0.035 0.000 0.971 281 E CA 0.632 56.739 56.400 -0.488 0.000 0.821 281 E CB 0.058 29.255 29.700 -0.838 0.000 0.777 281 E HN 0.495 nan 8.360 nan 0.000 0.460 282 N N -0.526 118.169 118.700 -0.008 0.000 2.356 282 N HA 0.009 4.749 4.740 -0.000 0.000 0.178 282 N C 0.816 176.180 175.510 -0.244 0.000 1.075 282 N CA 0.689 53.724 53.050 -0.025 0.000 0.889 282 N CB 0.312 38.827 38.487 0.047 0.000 0.999 282 N HN 0.197 nan 8.380 nan 0.000 0.464 283 Y N -0.080 120.121 120.300 -0.165 0.000 2.569 283 Y HA 0.207 4.757 4.550 -0.000 0.000 0.278 283 Y C 1.888 177.573 175.900 -0.358 0.000 1.130 283 Y CA -0.224 57.723 58.100 -0.256 0.000 1.280 283 Y CB -0.425 37.839 38.460 -0.327 0.000 1.379 283 Y HN -0.144 nan 8.280 nan 0.000 0.508 284 L N 0.240 121.221 121.223 -0.404 0.000 2.023 284 L HA 0.055 4.395 4.340 -0.000 0.000 0.205 284 L C 0.828 177.629 176.870 -0.115 0.000 1.073 284 L CA 1.763 56.436 54.840 -0.278 0.000 0.745 284 L CB -0.629 41.270 42.059 -0.266 0.000 0.900 284 L HN 0.123 nan 8.230 nan 0.000 0.435 285 L N 1.497 122.690 121.223 -0.049 0.000 2.672 285 L HA 0.179 4.518 4.340 -0.000 0.000 0.238 285 L C -0.071 176.815 176.870 0.026 0.000 1.392 285 L CA -0.008 54.864 54.840 0.054 0.000 1.238 285 L CB -1.416 40.812 42.059 0.282 0.000 1.548 285 L HN 0.437 nan 8.230 nan 0.000 0.423 286 T N -6.240 108.271 114.554 -0.070 0.000 2.841 286 T HA 0.265 4.615 4.350 -0.000 0.000 0.296 286 T C 0.569 175.157 174.700 -0.186 0.000 1.166 286 T CA -0.861 61.178 62.100 -0.103 0.000 1.007 286 T CB 2.035 70.828 68.868 -0.124 0.000 1.253 286 T HN -0.004 nan 8.240 nan 0.000 0.511 287 D N 0.753 121.041 120.400 -0.187 0.000 2.117 287 D HA -0.081 4.559 4.640 -0.000 0.000 0.197 287 D C 1.678 177.730 176.300 -0.412 0.000 0.987 287 D CA 1.605 55.409 54.000 -0.327 0.000 0.829 287 D CB 0.012 40.737 40.800 -0.126 0.000 0.961 287 D HN 0.773 nan 8.370 nan 0.000 0.460 288 E N 0.434 120.497 120.200 -0.229 0.000 2.152 288 E HA 0.012 4.362 4.350 -0.000 0.000 0.192 288 E C 2.158 178.658 176.600 -0.166 0.000 0.983 288 E CA 0.949 57.246 56.400 -0.172 0.000 0.818 288 E CB -0.657 28.982 29.700 -0.102 0.000 0.758 288 E HN 0.277 nan 8.360 nan 0.000 0.467 289 G N 1.208 109.903 108.800 -0.175 0.000 2.414 289 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.215 289 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.215 289 G C 1.539 176.351 174.900 -0.147 0.000 1.188 289 G CA 0.512 45.533 45.100 -0.132 0.000 0.783 289 G HN 0.157 nan 8.290 nan 0.000 0.537 290 L N 0.301 121.388 121.223 -0.226 0.000 2.131 290 L HA -0.043 4.297 4.340 -0.000 0.000 0.210 290 L C 2.739 179.491 176.870 -0.197 0.000 1.092 290 L CA 1.386 56.110 54.840 -0.193 0.000 0.759 290 L CB -0.343 41.588 42.059 -0.213 0.000 0.903 290 L HN 0.379 nan 8.230 nan 0.000 0.435 291 E N 0.512 120.480 120.200 -0.387 0.000 2.077 291 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 291 E C 2.246 178.831 176.600 -0.024 0.000 0.989 291 E CA 1.173 57.475 56.400 -0.164 0.000 0.800 291 E CB 0.030 29.619 29.700 -0.185 0.000 0.746 291 E HN 0.452 nan 8.360 nan 0.000 0.452 292 A N 0.498 123.290 122.820 -0.047 0.000 1.883 292 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 292 A C 2.405 179.991 177.584 0.005 0.000 1.186 292 A CA 1.644 53.678 52.037 -0.004 0.000 0.624 292 A CB -0.753 18.250 19.000 0.005 0.000 0.822 292 A HN 0.227 nan 8.150 nan 0.000 0.444 293 V N 0.507 120.417 119.914 -0.006 0.000 2.270 293 V HA -0.255 3.864 4.120 -0.000 0.000 0.245 293 V C 2.386 178.492 176.094 0.020 0.000 1.043 293 V CA 2.328 64.624 62.300 -0.008 0.000 1.014 293 V CB -1.150 30.659 31.823 -0.023 0.000 0.645 293 V HN 0.721 nan 8.190 nan 0.000 0.447 294 N N 0.080 118.821 118.700 0.068 0.000 2.192 294 N HA -0.198 4.541 4.740 -0.000 0.000 0.188 294 N C 1.733 177.308 175.510 0.109 0.000 1.013 294 N CA 1.343 54.467 53.050 0.122 0.000 0.863 294 N CB -0.171 38.463 38.487 0.245 0.000 0.990 294 N HN 0.435 nan 8.380 nan 0.000 0.430 295 K N -0.438 120.014 120.400 0.087 0.000 2.288 295 K HA -0.100 4.220 4.320 -0.000 0.000 0.201 295 K C 1.109 177.736 176.600 0.046 0.000 1.048 295 K CA 0.849 57.181 56.287 0.076 0.000 0.956 295 K CB 0.024 32.561 32.500 0.062 0.000 0.746 295 K HN 0.294 nan 8.250 nan 0.000 0.461 296 D N 0.676 121.084 120.400 0.014 0.000 2.107 296 D HA -0.038 4.602 4.640 -0.000 0.000 0.204 296 D C -0.055 176.235 176.300 -0.017 0.000 0.978 296 D CA 1.230 55.211 54.000 -0.032 0.000 0.852 296 D CB 0.525 41.270 40.800 -0.092 0.000 1.008 296 D HN -0.167 nan 8.370 nan 0.000 0.458 297 K N 0.594 120.991 120.400 -0.005 0.000 2.565 297 K HA 0.403 4.723 4.320 -0.000 0.000 0.249 297 K C -2.669 173.959 176.600 0.047 0.000 0.958 297 K CA -2.138 54.166 56.287 0.029 0.000 0.806 297 K CB 1.921 34.431 32.500 0.017 0.000 1.194 297 K HN -0.059 nan 8.250 nan 0.000 0.434 298 P HA 0.051 nan 4.420 nan 0.000 0.263 298 P C 0.606 177.896 177.300 -0.017 0.000 1.175 298 P CA 0.131 63.252 63.100 0.035 0.000 0.761 298 P CB 0.572 32.285 31.700 0.023 0.000 0.794 299 L N 1.882 123.131 121.223 0.043 0.000 2.307 299 L HA 0.193 4.532 4.340 -0.000 0.000 0.211 299 L C 1.543 178.435 176.870 0.035 0.000 1.099 299 L CA 1.230 56.108 54.840 0.063 0.000 0.816 299 L CB -0.693 41.425 42.059 0.098 0.000 0.952 299 L HN 0.760 nan 8.230 nan 0.000 0.455 300 G N -0.301 108.499 108.800 -0.000 0.000 2.501 300 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.213 300 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.213 300 G C -0.476 174.477 174.900 0.088 0.000 1.158 300 G CA -0.344 44.758 45.100 0.003 0.000 1.079 300 G HN 0.306 nan 8.290 nan 0.000 0.586 301 A N 0.900 123.779 122.820 0.099 0.000 2.527 301 A HA 0.691 5.011 4.320 -0.000 0.000 0.313 301 A C 1.018 178.683 177.584 0.135 0.000 1.410 301 A CA 0.589 52.694 52.037 0.113 0.000 1.060 301 A CB -0.613 18.450 19.000 0.106 0.000 1.137 301 A HN 2.279 nan 8.150 nan 0.000 0.542 302 V N 0.433 120.437 119.914 0.150 0.000 3.032 302 V HA 0.326 4.445 4.120 -0.000 0.000 0.307 302 V C 1.256 177.462 176.094 0.188 0.000 1.097 302 V CA 0.509 62.907 62.300 0.165 0.000 1.191 302 V CB 0.261 32.225 31.823 0.234 0.000 0.964 302 V HN 1.037 nan 8.190 nan 0.000 0.494 303 A N 3.490 126.362 122.820 0.087 0.000 2.167 303 A HA 0.241 4.561 4.320 -0.000 0.000 0.214 303 A C 1.081 178.626 177.584 -0.065 0.000 1.151 303 A CA 0.406 52.460 52.037 0.029 0.000 0.735 303 A CB -0.424 18.460 19.000 -0.194 0.000 0.802 303 A HN 1.035 nan 8.150 nan 0.000 0.467 304 L N 0.769 121.966 121.223 -0.043 0.000 2.325 304 L HA 0.222 4.561 4.340 -0.000 0.000 0.284 304 L C 1.048 177.824 176.870 -0.157 0.000 1.089 304 L CA 0.083 54.849 54.840 -0.125 0.000 0.836 304 L CB 0.233 42.273 42.059 -0.032 0.000 1.184 304 L HN 0.250 nan 8.230 nan 0.000 0.444 305 K N 1.565 121.709 120.400 -0.427 0.000 2.034 305 K HA -0.237 4.083 4.320 -0.000 0.000 0.214 305 K C 2.000 178.519 176.600 -0.136 0.000 1.051 305 K CA 2.083 58.071 56.287 -0.498 0.000 0.931 305 K CB -0.222 31.968 32.500 -0.517 0.000 0.715 305 K HN 0.910 nan 8.250 nan 0.000 0.446 306 S N 0.158 115.810 115.700 -0.081 0.000 2.383 306 S HA -0.226 4.244 4.470 -0.000 0.000 0.229 306 S C 1.978 176.642 174.600 0.108 0.000 1.030 306 S CA 1.258 59.462 58.200 0.008 0.000 1.002 306 S CB -0.499 62.700 63.200 -0.001 0.000 0.829 306 S HN 0.394 nan 8.310 nan 0.000 0.467 307 Y N 1.889 122.172 120.300 -0.028 0.000 2.510 307 Y HA 0.299 4.849 4.550 -0.000 0.000 0.273 307 Y C 2.232 178.161 175.900 0.049 0.000 1.119 307 Y CA 0.598 58.703 58.100 0.009 0.000 1.286 307 Y CB -0.164 38.299 38.460 0.004 0.000 1.061 307 Y HN 0.323 nan 8.280 nan 0.000 0.542 308 E N 0.840 121.081 120.200 0.069 0.000 2.072 308 E HA -0.159 4.191 4.350 -0.000 0.000 0.190 308 E C 1.725 178.346 176.600 0.036 0.000 0.982 308 E CA 1.768 58.214 56.400 0.078 0.000 0.803 308 E CB -0.206 29.701 29.700 0.346 0.000 0.755 308 E HN 0.559 nan 8.360 nan 0.000 0.453 309 E N 0.301 120.537 120.200 0.060 0.000 2.219 309 E HA -0.230 4.120 4.350 -0.000 0.000 0.198 309 E C 1.941 178.533 176.600 -0.014 0.000 0.998 309 E CA 1.318 57.743 56.400 0.042 0.000 0.818 309 E CB -0.065 29.662 29.700 0.045 0.000 0.741 309 E HN 0.472 nan 8.360 nan 0.000 0.477 310 E N 0.607 120.764 120.200 -0.072 0.000 2.014 310 E HA -0.082 4.268 4.350 -0.000 0.000 0.190 310 E C 2.275 178.790 176.600 -0.142 0.000 0.980 310 E CA 0.547 56.882 56.400 -0.110 0.000 0.807 310 E CB -0.097 29.507 29.700 -0.160 0.000 0.770 310 E HN 0.191 nan 8.360 nan 0.000 0.451 311 L N 0.995 122.066 121.223 -0.253 0.000 2.187 311 L HA -0.177 4.163 4.340 -0.000 0.000 0.213 311 L C 2.550 179.383 176.870 -0.062 0.000 1.100 311 L CA 0.784 55.518 54.840 -0.177 0.000 0.765 311 L CB -0.667 41.251 42.059 -0.235 0.000 0.904 311 L HN 0.149 nan 8.230 nan 0.000 0.437 312 A N 0.393 123.188 122.820 -0.042 0.000 2.076 312 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 312 A C 2.232 179.805 177.584 -0.019 0.000 1.160 312 A CA 1.459 53.490 52.037 -0.009 0.000 0.653 312 A CB -0.338 18.668 19.000 0.010 0.000 0.801 312 A HN 0.388 nan 8.150 nan 0.000 0.455 313 K N 0.077 120.458 120.400 -0.031 0.000 2.486 313 K HA -0.035 4.285 4.320 -0.000 0.000 0.194 313 K C 0.088 176.660 176.600 -0.047 0.000 1.033 313 K CA 0.295 56.561 56.287 -0.035 0.000 1.004 313 K CB 0.044 32.524 32.500 -0.034 0.000 0.798 313 K HN 0.403 nan 8.250 nan 0.000 0.495 314 D N 1.199 121.571 120.400 -0.048 0.000 2.343 314 D HA 0.028 4.668 4.640 -0.000 0.000 0.255 314 D C -1.901 174.344 176.300 -0.092 0.000 1.187 314 D CA -2.207 51.749 54.000 -0.073 0.000 0.875 314 D CB 1.490 42.259 40.800 -0.051 0.000 1.136 314 D HN -0.153 nan 8.370 nan 0.000 0.469 315 P HA -0.164 nan 4.420 nan 0.000 0.216 315 P C 1.229 178.439 177.300 -0.149 0.000 1.157 315 P CA 1.386 64.409 63.100 -0.127 0.000 0.880 315 P CB 0.228 31.836 31.700 -0.154 0.000 0.791 316 R N -0.830 119.505 120.500 -0.276 0.000 2.103 316 R HA -0.127 4.213 4.340 -0.000 0.000 0.242 316 R C 2.209 178.473 176.300 -0.059 0.000 1.142 316 R CA 1.271 57.129 56.100 -0.403 0.000 0.960 316 R CB -0.977 28.640 30.300 -1.138 0.000 0.858 316 R HN 0.209 nan 8.270 nan 0.000 0.439 317 I N 0.614 121.209 120.570 0.041 0.000 2.315 317 I HA -0.174 3.996 4.170 -0.000 0.000 0.248 317 I C 2.499 178.666 176.117 0.084 0.000 1.117 317 I CA 1.149 62.555 61.300 0.177 0.000 1.404 317 I CB -1.206 36.871 38.000 0.129 0.000 1.071 317 I HN 0.170 nan 8.210 nan 0.000 0.419 318 A N 1.006 123.837 122.820 0.018 0.000 1.933 318 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 318 A C 2.585 180.174 177.584 0.010 0.000 1.175 318 A CA 1.838 53.875 52.037 -0.000 0.000 0.628 318 A CB -0.651 18.333 19.000 -0.026 0.000 0.814 318 A HN 0.404 nan 8.150 nan 0.000 0.444 319 A N -0.951 121.877 122.820 0.013 0.000 1.902 319 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 319 A C 2.301 179.922 177.584 0.063 0.000 1.181 319 A CA 2.271 54.324 52.037 0.026 0.000 0.623 319 A CB -1.251 17.762 19.000 0.021 0.000 0.818 319 A HN 0.432 nan 8.150 nan 0.000 0.443 320 T N 0.199 114.824 114.554 0.117 0.000 2.622 320 T HA -0.169 4.181 4.350 -0.000 0.000 0.266 320 T C 1.959 176.702 174.700 0.072 0.000 1.047 320 T CA 1.781 63.957 62.100 0.126 0.000 1.159 320 T CB -0.278 68.701 68.868 0.185 0.000 0.863 320 T HN 0.279 nan 8.240 nan 0.000 0.422 321 M N 1.105 120.736 119.600 0.052 0.000 2.213 321 M HA -0.023 4.457 4.480 -0.000 0.000 0.263 321 M C 2.244 178.542 176.300 -0.002 0.000 1.062 321 M CA 1.189 56.497 55.300 0.013 0.000 1.105 321 M CB -1.125 31.466 32.600 -0.015 0.000 1.385 321 M HN 0.387 nan 8.290 nan 0.000 0.417 322 E N 0.282 120.483 120.200 0.002 0.000 2.031 322 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 322 E C 1.778 178.378 176.600 -0.001 0.000 0.994 322 E CA 1.057 57.452 56.400 -0.009 0.000 0.800 322 E CB 0.133 29.827 29.700 -0.010 0.000 0.752 322 E HN 0.486 nan 8.360 nan 0.000 0.447 323 N N 0.458 119.167 118.700 0.014 0.000 2.106 323 N HA -0.149 4.591 4.740 -0.000 0.000 0.188 323 N C 1.815 177.344 175.510 0.032 0.000 1.029 323 N CA 1.182 54.243 53.050 0.018 0.000 0.848 323 N CB -0.421 38.080 38.487 0.024 0.000 1.007 323 N HN 0.175 nan 8.380 nan 0.000 0.423 324 A N 1.748 124.595 122.820 0.045 0.000 1.884 324 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 324 A C 2.141 179.749 177.584 0.041 0.000 1.197 324 A CA 1.672 53.749 52.037 0.065 0.000 0.637 324 A CB -0.806 18.233 19.000 0.066 0.000 0.827 324 A HN 0.408 nan 8.150 nan 0.000 0.450 325 Q N -0.921 118.879 119.800 0.001 0.000 2.224 325 Q HA -0.115 4.225 4.340 -0.000 0.000 0.203 325 Q C 1.825 177.819 176.000 -0.009 0.000 0.970 325 Q CA 1.065 56.854 55.803 -0.023 0.000 0.865 325 Q CB -0.137 28.570 28.738 -0.052 0.000 0.922 325 Q HN 0.485 nan 8.270 nan 0.000 0.445 326 K N 0.226 120.625 120.400 -0.002 0.000 2.211 326 K HA -0.031 4.289 4.320 -0.000 0.000 0.203 326 K C 1.176 177.777 176.600 0.002 0.000 1.050 326 K CA 0.876 57.160 56.287 -0.005 0.000 0.945 326 K CB -0.120 32.377 32.500 -0.006 0.000 0.732 326 K HN 0.208 nan 8.250 nan 0.000 0.451 327 G N 0.332 109.148 108.800 0.027 0.000 2.849 327 G HA2 0.333 4.293 3.960 -0.000 0.000 0.174 327 G HA3 0.333 4.293 3.960 -0.000 0.000 0.174 327 G C -0.728 174.222 174.900 0.083 0.000 1.370 327 G CA -0.365 44.762 45.100 0.044 0.000 1.040 327 G HN 0.024 nan 8.290 nan 0.000 0.582 328 E N -1.271 119.024 120.200 0.159 0.000 2.393 328 E HA 0.368 4.718 4.350 -0.000 0.000 0.273 328 E C -0.969 175.872 176.600 0.403 0.000 0.918 328 E CA -0.683 55.859 56.400 0.237 0.000 0.773 328 E CB 2.815 32.650 29.700 0.224 0.000 1.275 328 E HN 0.229 nan 8.360 nan 0.000 0.451 329 I N 2.558 123.337 120.570 0.349 0.000 2.416 329 I HA 0.107 4.277 4.170 -0.000 0.000 0.288 329 I C 0.557 176.941 176.117 0.444 0.000 1.051 329 I CA -0.081 61.449 61.300 0.383 0.000 1.375 329 I CB 0.350 38.510 38.000 0.266 0.000 1.407 329 I HN 0.393 nan 8.210 nan 0.000 0.516 330 M N 7.885 127.736 119.600 0.419 0.000 2.245 330 M HA 0.077 4.557 4.480 -0.000 0.000 0.335 330 M C -2.162 174.199 176.300 0.101 0.000 1.155 330 M CA -0.938 54.333 55.300 -0.048 0.000 1.055 330 M CB -0.307 32.119 32.600 -0.291 0.000 1.670 330 M HN 0.240 nan 8.290 nan 0.000 0.447 331 P HA 0.111 nan 4.420 nan 0.000 0.275 331 P C -0.391 176.884 177.300 -0.043 0.000 1.266 331 P CA -0.235 62.886 63.100 0.036 0.000 0.793 331 P CB 0.462 32.172 31.700 0.017 0.000 1.074 332 N N -0.049 118.661 118.700 0.017 0.000 2.241 332 N HA 0.068 4.808 4.740 -0.000 0.000 0.238 332 N C 0.140 175.589 175.510 -0.102 0.000 1.244 332 N CA -0.231 52.796 53.050 -0.038 0.000 0.880 332 N CB -0.643 37.898 38.487 0.092 0.000 1.179 332 N HN 0.373 nan 8.380 nan 0.000 0.513 333 I N -2.008 118.510 120.570 -0.088 0.000 2.779 333 I HA 0.313 4.483 4.170 -0.000 0.000 0.285 333 I C -1.551 174.451 176.117 -0.192 0.000 1.134 333 I CA -1.561 59.674 61.300 -0.108 0.000 1.398 333 I CB 0.719 38.610 38.000 -0.182 0.000 1.404 333 I HN -0.321 nan 8.210 nan 0.000 0.587 334 P HA -0.200 nan 4.420 nan 0.000 0.216 334 P C 1.160 178.402 177.300 -0.098 0.000 1.150 334 P CA 1.493 64.513 63.100 -0.132 0.000 0.843 334 P CB 0.029 31.684 31.700 -0.075 0.000 0.787 335 Q N -1.631 118.070 119.800 -0.165 0.000 2.248 335 Q HA -0.169 4.171 4.340 -0.000 0.000 0.208 335 Q C 2.027 178.060 176.000 0.056 0.000 0.984 335 Q CA 1.347 57.085 55.803 -0.108 0.000 0.875 335 Q CB -1.052 27.423 28.738 -0.440 0.000 0.910 335 Q HN 0.244 nan 8.270 nan 0.000 0.433 336 M N -0.356 119.228 119.600 -0.026 0.000 2.143 336 M HA -0.198 4.281 4.480 -0.000 0.000 0.258 336 M C 2.147 178.552 176.300 0.175 0.000 1.071 336 M CA 1.558 56.886 55.300 0.048 0.000 1.088 336 M CB -1.280 31.285 32.600 -0.060 0.000 1.360 336 M HN 0.276 nan 8.290 nan 0.000 0.404 337 S N 0.087 115.881 115.700 0.157 0.000 2.356 337 S HA -0.082 4.388 4.470 -0.000 0.000 0.223 337 S C 2.001 176.749 174.600 0.247 0.000 1.032 337 S CA 1.549 59.875 58.200 0.210 0.000 1.005 337 S CB -0.140 63.121 63.200 0.102 0.000 0.867 337 S HN 0.526 nan 8.310 nan 0.000 0.449 338 A N 0.566 123.510 122.820 0.208 0.000 1.933 338 A HA -0.014 4.306 4.320 -0.000 0.000 0.218 338 A C 1.964 179.700 177.584 0.252 0.000 1.175 338 A CA 1.644 53.820 52.037 0.232 0.000 0.628 338 A CB -1.040 18.083 19.000 0.204 0.000 0.814 338 A HN 0.691 nan 8.150 nan 0.000 0.444 339 F N -0.775 119.231 119.950 0.093 0.000 2.069 339 F HA -0.202 4.325 4.527 -0.000 0.000 0.298 339 F C 2.037 177.806 175.800 -0.051 0.000 1.113 339 F CA 1.745 59.710 58.000 -0.058 0.000 1.214 339 F CB -0.631 38.234 39.000 -0.225 0.000 0.978 339 F HN 0.407 nan 8.300 nan 0.000 0.474 340 W N -1.283 119.943 121.300 -0.123 0.000 2.358 340 W HA -0.239 4.421 4.660 -0.000 0.000 0.303 340 W C 2.489 178.932 176.519 -0.127 0.000 1.208 340 W CA 1.168 58.391 57.345 -0.204 0.000 1.274 340 W CB -0.834 28.648 29.460 0.037 0.000 1.138 340 W HN 0.198 nan 8.180 nan 0.000 0.515 341 Y N 1.116 121.506 120.300 0.149 0.000 2.145 341 Y HA -0.218 4.332 4.550 -0.000 0.000 0.286 341 Y C 2.300 178.215 175.900 0.025 0.000 1.145 341 Y CA 2.004 60.154 58.100 0.084 0.000 1.148 341 Y CB -0.999 37.504 38.460 0.072 0.000 0.981 341 Y HN -0.095 nan 8.280 nan 0.000 0.507 342 A N -0.463 122.293 122.820 -0.107 0.000 1.883 342 A HA -0.186 4.133 4.320 -0.000 0.000 0.217 342 A C 2.342 179.788 177.584 -0.230 0.000 1.186 342 A CA 2.361 54.286 52.037 -0.185 0.000 0.624 342 A CB -1.375 17.590 19.000 -0.058 0.000 0.822 342 A HN 0.342 nan 8.150 nan 0.000 0.444 343 V N 0.037 119.787 119.914 -0.274 0.000 2.427 343 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 343 V C 2.628 178.696 176.094 -0.044 0.000 1.051 343 V CA 2.102 64.295 62.300 -0.177 0.000 1.048 343 V CB -0.838 30.784 31.823 -0.335 0.000 0.666 343 V HN 0.690 nan 8.190 nan 0.000 0.456 344 R N 0.175 120.648 120.500 -0.046 0.000 2.073 344 R HA -0.167 4.173 4.340 -0.000 0.000 0.234 344 R C 2.288 178.537 176.300 -0.084 0.000 1.134 344 R CA 2.168 58.265 56.100 -0.005 0.000 0.952 344 R CB -0.523 29.784 30.300 0.012 0.000 0.850 344 R HN 0.490 nan 8.270 nan 0.000 0.433 345 T N 0.692 115.101 114.554 -0.242 0.000 2.788 345 T HA -0.060 4.290 4.350 -0.000 0.000 0.268 345 T C 1.792 176.424 174.700 -0.113 0.000 1.044 345 T CA 1.224 63.185 62.100 -0.233 0.000 1.139 345 T CB -0.208 68.400 68.868 -0.433 0.000 0.867 345 T HN 0.472 nan 8.240 nan 0.000 0.454 346 A N 1.016 123.781 122.820 -0.092 0.000 1.873 346 A HA -0.022 4.298 4.320 -0.000 0.000 0.215 346 A C 2.578 180.160 177.584 -0.003 0.000 1.186 346 A CA 1.260 53.277 52.037 -0.033 0.000 0.616 346 A CB -1.002 17.988 19.000 -0.017 0.000 0.823 346 A HN 0.336 nan 8.150 nan 0.000 0.442 347 V N 0.288 120.212 119.914 0.016 0.000 2.261 347 V HA -0.292 3.827 4.120 -0.000 0.000 0.246 347 V C 2.441 178.546 176.094 0.017 0.000 1.047 347 V CA 2.121 64.443 62.300 0.037 0.000 1.015 347 V CB -0.739 31.135 31.823 0.084 0.000 0.642 347 V HN 0.571 nan 8.190 nan 0.000 0.446 348 I N 0.336 120.911 120.570 0.010 0.000 2.118 348 I HA -0.307 3.863 4.170 -0.000 0.000 0.241 348 I C 2.469 178.584 176.117 -0.004 0.000 1.070 348 I CA 1.850 63.151 61.300 0.001 0.000 1.327 348 I CB -0.500 37.497 38.000 -0.005 0.000 1.034 348 I HN 0.418 nan 8.210 nan 0.000 0.405 349 N N 0.624 119.320 118.700 -0.007 0.000 2.188 349 N HA -0.115 4.624 4.740 -0.000 0.000 0.184 349 N C 1.859 177.373 175.510 0.008 0.000 1.018 349 N CA 1.506 54.557 53.050 0.001 0.000 0.858 349 N CB -0.099 38.389 38.487 0.002 0.000 0.989 349 N HN 0.360 nan 8.380 nan 0.000 0.426 350 A N 1.162 123.987 122.820 0.008 0.000 1.898 350 A HA 0.083 4.403 4.320 -0.000 0.000 0.216 350 A C 2.360 179.946 177.584 0.002 0.000 1.181 350 A CA 1.583 53.627 52.037 0.011 0.000 0.620 350 A CB -0.596 18.412 19.000 0.012 0.000 0.819 350 A HN 0.301 nan 8.150 nan 0.000 0.442 351 A N 0.222 123.040 122.820 -0.003 0.000 1.969 351 A HA -0.048 4.271 4.320 -0.000 0.000 0.218 351 A C 2.340 179.916 177.584 -0.014 0.000 1.169 351 A CA 2.107 54.136 52.037 -0.014 0.000 0.635 351 A CB -0.699 18.289 19.000 -0.019 0.000 0.810 351 A HN 1.002 nan 8.150 nan 0.000 0.445 352 S N -2.346 113.349 115.700 -0.007 0.000 2.575 352 S HA 0.388 4.858 4.470 -0.000 0.000 0.215 352 S C 1.421 176.021 174.600 0.000 0.000 0.966 352 S CA 1.055 59.251 58.200 -0.006 0.000 0.911 352 S CB -0.121 63.076 63.200 -0.004 0.000 0.780 352 S HN 1.875 nan 8.310 nan 0.000 0.514 353 G N 1.896 110.698 108.800 0.005 0.000 2.179 353 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.260 353 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.260 353 G C 0.832 175.745 174.900 0.022 0.000 0.977 353 G CA 0.420 45.528 45.100 0.012 0.000 0.641 353 G HN 0.558 nan 8.290 nan 0.000 0.533 354 R N -0.023 120.489 120.500 0.021 0.000 2.152 354 R HA 0.065 4.405 4.340 -0.000 0.000 0.232 354 R C 1.013 177.337 176.300 0.040 0.000 1.117 354 R CA 1.705 57.822 56.100 0.029 0.000 0.981 354 R CB -0.014 30.299 30.300 0.022 0.000 0.870 354 R HN 0.576 nan 8.270 nan 0.000 0.451 355 Q N -0.529 119.293 119.800 0.036 0.000 2.389 355 Q HA 0.189 4.529 4.340 -0.000 0.000 0.277 355 Q C -0.957 175.069 176.000 0.043 0.000 1.082 355 Q CA -0.664 55.165 55.803 0.044 0.000 0.810 355 Q CB 2.400 31.163 28.738 0.042 0.000 1.374 355 Q HN 0.176 nan 8.270 nan 0.000 0.422 356 T N -2.398 112.187 114.554 0.052 0.000 2.788 356 T HA 0.167 4.517 4.350 -0.000 0.000 0.287 356 T C 1.304 176.040 174.700 0.060 0.000 1.007 356 T CA -0.650 61.485 62.100 0.059 0.000 1.005 356 T CB 0.629 69.541 68.868 0.074 0.000 1.012 356 T HN 0.316 nan 8.240 nan 0.000 0.530 357 V N 0.976 120.927 119.914 0.063 0.000 2.343 357 V HA -0.148 3.972 4.120 -0.000 0.000 0.247 357 V C 2.566 178.701 176.094 0.069 0.000 1.051 357 V CA 2.418 64.750 62.300 0.054 0.000 1.036 357 V CB -1.058 30.791 31.823 0.044 0.000 0.654 357 V HN 1.073 nan 8.190 nan 0.000 0.451 358 D N 0.091 120.556 120.400 0.108 0.000 2.092 358 D HA -0.179 4.461 4.640 -0.000 0.000 0.193 358 D C 2.142 178.500 176.300 0.097 0.000 0.994 358 D CA 1.711 55.792 54.000 0.134 0.000 0.828 358 D CB -0.212 40.745 40.800 0.261 0.000 0.963 358 D HN 0.377 nan 8.370 nan 0.000 0.450 359 A N 0.289 123.160 122.820 0.084 0.000 1.933 359 A HA 0.011 4.330 4.320 -0.000 0.000 0.218 359 A C 2.327 179.947 177.584 0.060 0.000 1.175 359 A CA 2.238 54.316 52.037 0.068 0.000 0.628 359 A CB -1.035 18.002 19.000 0.062 0.000 0.814 359 A HN 0.336 nan 8.150 nan 0.000 0.444 360 A N -0.348 122.502 122.820 0.051 0.000 1.873 360 A HA -0.006 4.314 4.320 -0.000 0.000 0.215 360 A C 2.164 179.767 177.584 0.032 0.000 1.186 360 A CA 1.490 53.548 52.037 0.036 0.000 0.616 360 A CB -0.523 18.494 19.000 0.028 0.000 0.823 360 A HN 0.460 nan 8.150 nan 0.000 0.442 361 L N -1.076 120.170 121.223 0.038 0.000 2.131 361 L HA -0.080 4.260 4.340 -0.000 0.000 0.206 361 L C 3.066 179.960 176.870 0.039 0.000 1.087 361 L CA 0.812 55.672 54.840 0.034 0.000 0.767 361 L CB -0.580 41.498 42.059 0.031 0.000 0.917 361 L HN 0.444 nan 8.230 nan 0.000 0.441 362 A N 0.400 123.252 122.820 0.052 0.000 1.940 362 A HA -0.190 4.129 4.320 -0.000 0.000 0.219 362 A C 2.515 180.139 177.584 0.067 0.000 1.176 362 A CA 1.832 53.905 52.037 0.060 0.000 0.631 362 A CB -0.551 18.490 19.000 0.069 0.000 0.814 362 A HN 0.400 nan 8.150 nan 0.000 0.446 363 A N -0.305 122.554 122.820 0.064 0.000 1.898 363 A HA 0.240 4.560 4.320 -0.000 0.000 0.216 363 A C 2.481 180.101 177.584 0.059 0.000 1.181 363 A CA 1.827 53.907 52.037 0.072 0.000 0.620 363 A CB -0.943 18.096 19.000 0.065 0.000 0.819 363 A HN 1.045 nan 8.150 nan 0.000 0.442 364 A N -0.987 121.852 122.820 0.031 0.000 1.972 364 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 364 A C 2.118 179.724 177.584 0.037 0.000 1.169 364 A CA 2.040 54.083 52.037 0.009 0.000 0.635 364 A CB -0.443 18.542 19.000 -0.024 0.000 0.810 364 A HN 0.517 nan 8.150 nan 0.000 0.446 365 Q N -0.406 119.422 119.800 0.045 0.000 2.084 365 Q HA -0.102 4.238 4.340 -0.000 0.000 0.202 365 Q C 2.027 178.083 176.000 0.093 0.000 0.978 365 Q CA 2.444 58.278 55.803 0.051 0.000 0.844 365 Q CB -0.758 28.001 28.738 0.036 0.000 0.898 365 Q HN 0.565 nan 8.270 nan 0.000 0.426 366 T N -0.041 114.578 114.554 0.108 0.000 2.737 366 T HA -0.080 4.270 4.350 -0.000 0.000 0.265 366 T C 1.476 176.266 174.700 0.151 0.000 1.038 366 T CA 1.374 63.559 62.100 0.143 0.000 1.144 366 T CB -0.341 68.615 68.868 0.146 0.000 0.866 366 T HN 0.454 nan 8.240 nan 0.000 0.434 367 N N 0.378 119.159 118.700 0.136 0.000 2.453 367 N HA 0.015 4.754 4.740 -0.000 0.000 0.183 367 N C 1.713 177.331 175.510 0.179 0.000 1.041 367 N CA 0.488 53.636 53.050 0.163 0.000 0.900 367 N CB -0.032 38.551 38.487 0.160 0.000 0.961 367 N HN 0.327 nan 8.380 nan 0.000 0.443 368 A N 0.181 123.095 122.820 0.157 0.000 2.169 368 A HA 0.226 4.546 4.320 -0.000 0.000 0.212 368 A C 2.044 179.762 177.584 0.223 0.000 1.153 368 A CA 0.704 52.855 52.037 0.189 0.000 0.756 368 A CB -0.186 18.914 19.000 0.166 0.000 0.813 368 A HN 0.332 nan 8.150 nan 0.000 0.471 369 A N -1.031 121.912 122.820 0.204 0.000 2.121 369 A HA 0.511 4.831 4.320 -0.000 0.000 0.218 369 A C 1.128 178.828 177.584 0.194 0.000 1.154 369 A CA 1.500 53.671 52.037 0.223 0.000 0.679 369 A CB -0.407 18.732 19.000 0.230 0.000 0.795 369 A HN 1.487 nan 8.150 nan 0.000 0.458 1070 E N 1.434 121.602 120.200 -0.053 0.000 2.414 1070 E HA 0.107 4.457 4.350 -0.000 0.000 0.263 1070 E C -0.514 176.038 176.600 -0.079 0.000 1.000 1070 E CA 0.495 56.849 56.400 -0.078 0.000 0.914 1070 E CB 0.589 30.162 29.700 -0.212 0.000 0.948 1070 E HN 0.126 nan 8.360 nan 0.000 0.444 1071 E N 3.024 123.199 120.200 -0.042 0.000 2.281 1071 E HA 0.222 4.572 4.350 -0.000 0.000 0.262 1071 E C -0.422 176.156 176.600 -0.037 0.000 0.933 1071 E CA -0.607 55.774 56.400 -0.032 0.000 0.809 1071 E CB 1.304 31.003 29.700 -0.002 0.000 1.242 1071 E HN 0.514 nan 8.360 nan 0.000 0.418 1072 D N 0.087 120.472 120.400 -0.024 0.000 2.379 1072 D HA -0.030 4.610 4.640 -0.000 0.000 0.208 1072 D C 0.554 176.868 176.300 0.024 0.000 1.065 1072 D CA 0.151 54.143 54.000 -0.013 0.000 0.848 1072 D CB 0.384 41.183 40.800 -0.003 0.000 0.949 1072 D HN 0.300 nan 8.370 nan 0.000 0.509 1073 D N 0.559 120.974 120.400 0.025 0.000 2.392 1073 D HA -0.053 4.587 4.640 -0.000 0.000 0.228 1073 D C 0.149 176.481 176.300 0.053 0.000 1.003 1073 D CA 0.204 54.227 54.000 0.038 0.000 0.917 1073 D CB 0.460 41.276 40.800 0.027 0.000 0.890 1073 D HN -0.016 nan 8.370 nan 0.000 0.532 1074 V N 0.725 120.685 119.914 0.077 0.000 2.583 1074 V HA 0.212 4.332 4.120 -0.000 0.000 0.287 1074 V C 0.460 176.665 176.094 0.185 0.000 1.051 1074 V CA -0.399 61.973 62.300 0.120 0.000 1.010 1074 V CB 2.011 33.947 31.823 0.187 0.000 0.988 1074 V HN -0.240 nan 8.190 nan 0.000 0.478 1075 V N 6.085 126.036 119.914 0.063 0.000 2.623 1075 V HA 0.494 4.613 4.120 -0.000 0.000 0.304 1075 V C -0.367 175.610 176.094 -0.196 0.000 1.054 1075 V CA -0.391 61.922 62.300 0.021 0.000 0.882 1075 V CB 2.006 33.804 31.823 -0.041 0.000 1.002 1075 V HN 0.671 nan 8.190 nan 0.000 0.424 1076 I N 5.511 125.906 120.570 -0.291 0.000 2.412 1076 I HA 0.517 4.686 4.170 -0.000 0.000 0.296 1076 I C -0.639 175.211 176.117 -0.446 0.000 0.987 1076 I CA -0.490 60.515 61.300 -0.492 0.000 1.180 1076 I CB 1.788 39.339 38.000 -0.749 0.000 1.340 1076 I HN 0.408 nan 8.210 nan 0.000 0.455 1077 I N 6.451 126.696 120.570 -0.540 0.000 2.389 1077 I HA 0.183 4.353 4.170 -0.000 0.000 0.288 1077 I C -1.258 174.683 176.117 -0.292 0.000 0.999 1077 I CA -0.740 60.263 61.300 -0.496 0.000 1.129 1077 I CB 1.657 39.139 38.000 -0.864 0.000 1.288 1077 I HN 0.465 nan 8.210 nan 0.000 0.444 1078 Y N 8.212 128.348 120.300 -0.272 0.000 2.842 1078 Y HA 0.305 4.855 4.550 -0.000 0.000 0.334 1078 Y C -0.084 175.903 175.900 0.145 0.000 1.019 1078 Y CA -2.132 55.963 58.100 -0.009 0.000 1.258 1078 Y CB 0.314 38.749 38.460 -0.042 0.000 1.106 1078 Y HN 0.579 nan 8.280 nan 0.000 0.545 1079 N N 5.817 124.611 118.700 0.158 0.000 2.895 1079 N HA 0.038 4.777 4.740 -0.000 0.000 0.277 1079 N C -0.270 175.237 175.510 -0.004 0.000 1.185 1079 N CA -0.370 52.717 53.050 0.062 0.000 1.106 1079 N CB -0.024 38.588 38.487 0.209 0.000 1.422 1079 N HN 0.714 nan 8.380 nan 0.000 0.521 1080 R N -0.114 120.114 120.500 -0.454 0.000 2.585 1080 R HA 0.156 4.496 4.340 -0.000 0.000 0.275 1080 R C -0.737 175.563 176.300 0.000 0.000 1.018 1080 R CA -0.391 55.433 56.100 -0.460 0.000 1.072 1080 R CB 0.234 30.148 30.300 -0.643 0.000 0.953 1080 R HN 0.065 nan 8.270 nan 0.000 0.419 1081 V N 4.873 124.807 119.914 0.034 0.000 2.427 1081 V HA 0.250 4.370 4.120 -0.000 0.000 0.286 1081 V C -1.924 174.185 176.094 0.025 0.000 1.034 1081 V CA -2.507 59.726 62.300 -0.112 0.000 0.893 1081 V CB 1.520 33.233 31.823 -0.184 0.000 0.982 1081 V HN 0.779 nan 8.190 nan 0.000 0.452 1082 P HA 0.055 nan 4.420 nan 0.000 0.264 1082 P C -0.306 176.966 177.300 -0.047 0.000 1.183 1082 P CA 0.059 63.137 63.100 -0.037 0.000 0.763 1082 P CB 0.165 31.727 31.700 -0.230 0.000 0.807 1083 K N 0.468 120.851 120.400 -0.028 0.000 3.244 1083 K HA -0.137 4.183 4.320 -0.000 0.000 0.270 1083 K C 0.276 176.877 176.600 0.001 0.000 1.016 1083 K CA 1.374 57.648 56.287 -0.022 0.000 0.754 1083 K CB -3.163 29.348 32.500 0.019 0.000 1.326 1083 K HN 0.710 nan 8.250 nan 0.000 0.465 1084 T N -3.926 110.641 114.554 0.021 0.000 3.275 1084 T HA 0.581 4.931 4.350 -0.000 0.000 0.298 1084 T C 0.696 175.413 174.700 0.028 0.000 0.988 1084 T CA 0.639 62.746 62.100 0.012 0.000 0.936 1084 T CB 0.775 69.650 68.868 0.012 0.000 1.159 1084 T HN 1.118 nan 8.240 nan 0.000 0.519 1085 A N 1.333 124.185 122.820 0.053 0.000 3.028 1085 A HA -0.202 4.117 4.320 -0.000 0.000 0.248 1085 A C 1.810 179.492 177.584 0.164 0.000 1.316 1085 A CA 1.211 53.292 52.037 0.073 0.000 1.003 1085 A CB -2.726 16.292 19.000 0.029 0.000 1.148 1085 A HN 1.537 nan 8.150 nan 0.000 0.828 1086 S N -1.301 114.524 115.700 0.209 0.000 2.419 1086 S HA -0.132 4.337 4.470 -0.000 0.000 0.233 1086 S C 1.664 176.471 174.600 0.344 0.000 1.016 1086 S CA 2.115 60.543 58.200 0.380 0.000 0.974 1086 S CB -0.840 62.542 63.200 0.304 0.000 0.786 1086 S HN 0.940 nan 8.310 nan 0.000 0.492 1087 T N 2.226 116.883 114.554 0.173 0.000 2.770 1087 T HA -0.011 4.339 4.350 -0.000 0.000 0.263 1087 T C 2.159 176.913 174.700 0.090 0.000 1.039 1087 T CA 1.492 63.625 62.100 0.055 0.000 1.142 1087 T CB -0.670 68.109 68.868 -0.149 0.000 0.868 1087 T HN 0.501 nan 8.240 nan 0.000 0.435 1088 S N 1.105 116.879 115.700 0.123 0.000 2.359 1088 S HA -0.092 4.378 4.470 -0.000 0.000 0.223 1088 S C 1.633 176.382 174.600 0.249 0.000 1.039 1088 S CA 1.175 59.473 58.200 0.163 0.000 1.042 1088 S CB -0.535 62.761 63.200 0.160 0.000 0.915 1088 S HN 0.426 nan 8.310 nan 0.000 0.439 1089 F N 2.419 122.463 119.950 0.157 0.000 2.031 1089 F HA -0.144 4.383 4.527 -0.000 0.000 0.295 1089 F C 2.605 178.505 175.800 0.165 0.000 1.133 1089 F CA 1.802 59.906 58.000 0.173 0.000 1.188 1089 F CB -1.243 37.859 39.000 0.170 0.000 0.974 1089 F HN 0.105 nan 8.300 nan 0.000 0.473 1090 T N 0.094 114.804 114.554 0.259 0.000 2.802 1090 T HA -0.290 4.060 4.350 -0.000 0.000 0.269 1090 T C 1.628 176.274 174.700 -0.091 0.000 1.062 1090 T CA 1.683 63.800 62.100 0.028 0.000 1.133 1090 T CB -0.672 68.243 68.868 0.079 0.000 0.852 1090 T HN 0.354 nan 8.240 nan 0.000 0.485 1091 N N 0.727 119.469 118.700 0.070 0.000 2.270 1091 N HA 0.064 4.804 4.740 -0.000 0.000 0.181 1091 N C 1.656 177.194 175.510 0.046 0.000 1.016 1091 N CA 0.658 53.797 53.050 0.149 0.000 0.870 1091 N CB -0.320 38.251 38.487 0.140 0.000 0.979 1091 N HN 0.373 nan 8.380 nan 0.000 0.431 1092 I N 0.094 120.634 120.570 -0.049 0.000 2.361 1092 I HA -0.201 3.969 4.170 -0.000 0.000 0.251 1092 I C 2.183 178.204 176.117 -0.160 0.000 1.133 1092 I CA 0.935 62.200 61.300 -0.057 0.000 1.413 1092 I CB -0.343 37.637 38.000 -0.034 0.000 1.073 1092 I HN 0.253 nan 8.210 nan 0.000 0.424 1093 A N 0.213 122.802 122.820 -0.385 0.000 1.873 1093 A HA -0.225 4.094 4.320 -0.000 0.000 0.215 1093 A C 2.156 179.508 177.584 -0.386 0.000 1.186 1093 A CA 1.313 53.022 52.037 -0.547 0.000 0.616 1093 A CB -1.022 17.211 19.000 -1.278 0.000 0.823 1093 A HN 0.377 nan 8.150 nan 0.000 0.442 1094 Y N 0.435 120.584 120.300 -0.253 0.000 2.165 1094 Y HA -0.246 4.304 4.550 -0.000 0.000 0.286 1094 Y C 2.215 178.017 175.900 -0.163 0.000 1.155 1094 Y CA 1.370 59.370 58.100 -0.168 0.000 1.164 1094 Y CB -0.041 38.375 38.460 -0.074 0.000 0.978 1094 Y HN 0.314 nan 8.280 nan 0.000 0.513 1095 D N -0.327 120.097 120.400 0.039 0.000 2.224 1095 D HA -0.091 4.549 4.640 -0.000 0.000 0.205 1095 D C 1.872 178.130 176.300 -0.069 0.000 0.965 1095 D CA 1.103 55.101 54.000 -0.004 0.000 0.852 1095 D CB -0.101 40.712 40.800 0.022 0.000 0.947 1095 D HN 0.356 nan 8.370 nan 0.000 0.494 1096 L N 0.683 121.833 121.223 -0.121 0.000 2.416 1096 L HA 0.035 4.374 4.340 -0.000 0.000 0.216 1096 L C 2.622 179.282 176.870 -0.349 0.000 1.098 1096 L CA 0.134 54.887 54.840 -0.144 0.000 0.840 1096 L CB -0.233 41.798 42.059 -0.046 0.000 0.981 1096 L HN 0.166 nan 8.230 nan 0.000 0.462 1097 C N -0.024 118.897 119.300 -0.631 0.000 2.413 1097 C HA -0.132 4.327 4.460 -0.000 0.000 0.277 1097 C C 2.942 177.532 174.990 -0.667 0.000 1.265 1097 C CA 0.548 58.864 59.018 -1.169 0.000 1.752 1097 C CB -1.074 26.033 27.740 -1.055 0.000 1.998 1097 C HN 0.469 nan 8.230 nan 0.000 0.489 1098 A N 1.142 123.741 122.820 -0.368 0.000 1.858 1098 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 1098 A C 2.460 179.925 177.584 -0.198 0.000 1.190 1098 A CA 2.000 53.890 52.037 -0.245 0.000 0.617 1098 A CB -0.776 18.135 19.000 -0.150 0.000 0.827 1098 A HN 0.729 nan 8.150 nan 0.000 0.443 1099 K N -0.715 119.591 120.400 -0.158 0.000 2.057 1099 K HA -0.122 4.198 4.320 -0.000 0.000 0.206 1099 K C 1.210 177.758 176.600 -0.088 0.000 1.050 1099 K CA 1.404 57.632 56.287 -0.098 0.000 0.935 1099 K CB -0.172 32.290 32.500 -0.063 0.000 0.715 1099 K HN 0.381 nan 8.250 nan 0.000 0.439 1100 N N 1.181 119.816 118.700 -0.109 0.000 2.571 1100 N HA -0.032 4.708 4.740 -0.000 0.000 0.189 1100 N C -0.682 174.815 175.510 -0.021 0.000 1.154 1100 N CA 0.400 53.437 53.050 -0.023 0.000 0.907 1100 N CB -0.000 38.547 38.487 0.100 0.000 0.977 1100 N HN 0.133 nan 8.380 nan 0.000 0.449 1101 R N -0.299 120.121 120.500 -0.134 0.000 3.152 1101 R HA -0.213 4.127 4.340 -0.000 0.000 0.252 1101 R C -1.284 174.962 176.300 -0.090 0.000 0.930 1101 R CA 0.551 56.568 56.100 -0.138 0.000 0.642 1101 R CB -2.448 27.807 30.300 -0.075 0.000 1.205 1101 R HN 0.510 nan 8.270 nan 0.000 0.452 1102 Y N -3.582 116.534 120.300 -0.306 0.000 2.689 1102 Y HA 0.603 5.153 4.550 -0.000 0.000 0.333 1102 Y C -0.559 175.159 175.900 -0.304 0.000 1.208 1102 Y CA -1.430 56.507 58.100 -0.271 0.000 1.055 1102 Y CB 1.214 39.482 38.460 -0.320 0.000 1.304 1102 Y HN 0.078 nan 8.280 nan 0.000 0.455 1103 H N 0.608 119.801 119.070 0.205 0.000 2.533 1103 H HA 0.740 5.296 4.556 -0.000 0.000 0.343 1103 H C -1.123 174.307 175.328 0.169 0.000 1.160 1103 H CA -0.845 55.260 56.048 0.095 0.000 1.218 1103 H CB 2.550 32.350 29.762 0.065 0.000 1.566 1103 H HN 0.562 nan 8.280 nan 0.000 0.522 1104 V N 3.925 123.946 119.914 0.178 0.000 2.604 1104 V HA 0.305 4.424 4.120 -0.000 0.000 0.305 1104 V C -0.725 175.471 176.094 0.169 0.000 1.043 1104 V CA -0.681 61.685 62.300 0.111 0.000 0.888 1104 V CB 1.862 33.479 31.823 -0.344 0.000 0.995 1104 V HN 0.388 nan 8.190 nan 0.000 0.429 1105 L N 3.793 125.111 121.223 0.158 0.000 2.455 1105 L HA 0.522 4.862 4.340 -0.000 0.000 0.264 1105 L C -0.373 176.591 176.870 0.156 0.000 0.968 1105 L CA -0.419 54.506 54.840 0.143 0.000 0.827 1105 L CB 1.788 43.776 42.059 -0.118 0.000 1.317 1105 L HN 0.671 nan 8.230 nan 0.000 0.407 1106 H N 3.699 122.803 119.070 0.056 0.000 2.489 1106 H HA 0.541 5.096 4.556 -0.000 0.000 0.322 1106 H C -0.981 174.311 175.328 -0.059 0.000 1.091 1106 H CA -0.583 55.295 56.048 -0.283 0.000 1.291 1106 H CB 1.300 31.029 29.762 -0.056 0.000 1.436 1106 H HN 0.548 nan 8.280 nan 0.000 0.480 1107 I N 4.786 124.933 120.570 -0.704 0.000 2.312 1107 I HA 0.040 4.209 4.170 -0.000 0.000 0.291 1107 I C 0.061 175.838 176.117 -0.567 0.000 1.031 1107 I CA -0.313 60.747 61.300 -0.400 0.000 1.293 1107 I CB 0.690 38.546 38.000 -0.241 0.000 1.403 1107 I HN 0.496 nan 8.210 nan 0.000 0.484 1108 N N 4.764 123.335 118.700 -0.214 0.000 2.417 1108 N HA 0.380 5.120 4.740 -0.000 0.000 0.274 1108 N C -0.708 174.796 175.510 -0.010 0.000 0.987 1108 N CA -0.427 52.600 53.050 -0.037 0.000 0.912 1108 N CB 1.150 39.717 38.487 0.134 0.000 1.177 1108 N HN 0.640 nan 8.380 nan 0.000 0.490 1109 T N 0.304 114.859 114.554 0.002 0.000 2.823 1109 T HA 0.348 4.698 4.350 -0.000 0.000 0.279 1109 T C -0.112 174.600 174.700 0.021 0.000 0.998 1109 T CA -0.799 61.295 62.100 -0.010 0.000 0.994 1109 T CB 0.771 69.610 68.868 -0.049 0.000 0.960 1109 T HN 0.358 nan 8.240 nan 0.000 0.448 1110 T N 4.405 118.966 114.554 0.012 0.000 2.709 1110 T HA 0.037 4.386 4.350 -0.000 0.000 0.269 1110 T C 0.781 175.492 174.700 0.017 0.000 1.008 1110 T CA 0.411 62.522 62.100 0.019 0.000 1.194 1110 T CB -0.429 68.442 68.868 0.006 0.000 0.986 1110 T HN 0.852 nan 8.240 nan 0.000 0.508 1111 K N 2.176 122.598 120.400 0.035 0.000 3.274 1111 K HA -0.259 4.060 4.320 -0.000 0.000 0.300 1111 K C 0.135 176.760 176.600 0.042 0.000 1.230 1111 K CA 0.573 56.882 56.287 0.037 0.000 0.884 1111 K CB -1.284 31.227 32.500 0.019 0.000 1.242 1111 K HN 0.809 nan 8.250 nan 0.000 0.467 1112 N N 0.207 118.940 118.700 0.054 0.000 2.727 1112 N HA -0.186 4.554 4.740 -0.000 0.000 0.251 1112 N C -0.667 174.864 175.510 0.035 0.000 1.040 1112 N CA 0.964 54.057 53.050 0.071 0.000 0.712 1112 N CB -1.011 37.531 38.487 0.090 0.000 0.912 1112 N HN 0.443 nan 8.380 nan 0.000 0.545 1113 N N 1.003 119.691 118.700 -0.018 0.000 2.422 1113 N HA 0.239 4.979 4.740 -0.000 0.000 0.264 1113 N C -1.499 173.933 175.510 -0.129 0.000 1.063 1113 N CA -1.832 51.163 53.050 -0.092 0.000 0.959 1113 N CB 1.106 39.523 38.487 -0.117 0.000 1.087 1113 N HN 0.013 nan 8.380 nan 0.000 0.483 1114 P HA -0.016 nan 4.420 nan 0.000 0.226 1114 P C -0.250 176.798 177.300 -0.421 0.000 1.153 1114 P CA 0.624 63.563 63.100 -0.268 0.000 0.777 1114 P CB 0.429 31.997 31.700 -0.220 0.000 0.794 1115 V N 1.187 120.814 119.914 -0.479 0.000 2.347 1115 V HA 0.238 4.358 4.120 -0.000 0.000 0.280 1115 V C 0.344 176.320 176.094 -0.196 0.000 1.021 1115 V CA -0.342 61.629 62.300 -0.548 0.000 0.847 1115 V CB 1.031 32.490 31.823 -0.607 0.000 0.990 1115 V HN -0.014 nan 8.190 nan 0.000 0.444 1116 M N 3.267 122.923 119.600 0.094 0.000 2.291 1116 M HA 0.377 4.857 4.480 -0.000 0.000 0.324 1116 M C 0.780 177.120 176.300 0.067 0.000 1.148 1116 M CA -0.134 55.198 55.300 0.053 0.000 1.104 1116 M CB 1.679 34.279 32.600 -0.000 0.000 1.483 1116 M HN 0.772 nan 8.290 nan 0.000 0.467 1117 S N 0.975 116.677 115.700 0.003 0.000 2.608 1117 S HA 0.102 4.572 4.470 -0.000 0.000 0.261 1117 S C 0.715 175.327 174.600 0.020 0.000 1.314 1117 S CA -0.746 57.459 58.200 0.008 0.000 0.992 1117 S CB 0.636 63.830 63.200 -0.010 0.000 0.935 1117 S HN 0.729 nan 8.310 nan 0.000 0.564 1118 L N 1.090 122.331 121.223 0.030 0.000 2.046 1118 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 1118 L C 2.811 179.702 176.870 0.035 0.000 1.077 1118 L CA 2.128 56.996 54.840 0.047 0.000 0.747 1118 L CB -1.230 40.853 42.059 0.039 0.000 0.896 1118 L HN 0.922 nan 8.230 nan 0.000 0.432 1119 Q N -1.347 118.459 119.800 0.011 0.000 2.119 1119 Q HA -0.219 4.121 4.340 -0.000 0.000 0.201 1119 Q C 1.517 177.498 176.000 -0.031 0.000 0.972 1119 Q CA 1.864 57.666 55.803 -0.002 0.000 0.847 1119 Q CB -0.863 27.872 28.738 -0.005 0.000 0.903 1119 Q HN 0.497 nan 8.270 nan 0.000 0.433 1120 D N 1.252 121.629 120.400 -0.039 0.000 2.144 1120 D HA -0.098 4.542 4.640 -0.000 0.000 0.200 1120 D C 2.094 178.329 176.300 -0.109 0.000 0.978 1120 D CA 0.967 54.930 54.000 -0.062 0.000 0.833 1120 D CB -0.050 40.716 40.800 -0.058 0.000 0.961 1120 D HN 0.408 nan 8.370 nan 0.000 0.470 1121 Q N 0.160 119.877 119.800 -0.139 0.000 2.061 1121 Q HA -0.115 4.225 4.340 -0.000 0.000 0.204 1121 Q C 2.367 178.094 176.000 -0.454 0.000 0.984 1121 Q CA 1.021 56.647 55.803 -0.294 0.000 0.846 1121 Q CB -0.028 28.577 28.738 -0.222 0.000 0.902 1121 Q HN 0.138 nan 8.270 nan 0.000 0.421 1122 V N 1.270 121.034 119.914 -0.251 0.000 2.332 1122 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 1122 V C 2.279 178.210 176.094 -0.272 0.000 1.055 1122 V CA 1.800 63.957 62.300 -0.238 0.000 1.038 1122 V CB -0.614 31.205 31.823 -0.007 0.000 0.651 1122 V HN 0.345 nan 8.190 nan 0.000 0.450 1123 R N -0.658 119.732 120.500 -0.183 0.000 2.070 1123 R HA -0.174 4.166 4.340 -0.000 0.000 0.233 1123 R C 2.230 178.375 176.300 -0.258 0.000 1.137 1123 R CA 1.938 57.935 56.100 -0.172 0.000 0.945 1123 R CB -1.142 29.101 30.300 -0.095 0.000 0.845 1123 R HN 0.526 nan 8.270 nan 0.000 0.430 1124 F N 1.955 121.667 119.950 -0.396 0.000 2.046 1124 F HA -0.220 4.307 4.527 -0.000 0.000 0.297 1124 F C 2.346 177.824 175.800 -0.535 0.000 1.123 1124 F CA 1.341 59.075 58.000 -0.444 0.000 1.199 1124 F CB -0.591 38.168 39.000 -0.402 0.000 0.972 1124 F HN -0.279 nan 8.300 nan 0.000 0.474 1125 V N 0.758 120.196 119.914 -0.793 0.000 2.332 1125 V HA -0.352 3.767 4.120 -0.000 0.000 0.248 1125 V C 2.487 178.217 176.094 -0.607 0.000 1.055 1125 V CA 2.371 64.067 62.300 -1.007 0.000 1.038 1125 V CB -0.716 30.255 31.823 -1.420 0.000 0.651 1125 V HN 0.318 nan 8.190 nan 0.000 0.450 1126 K N -0.135 119.968 120.400 -0.496 0.000 2.057 1126 K HA -0.185 4.134 4.320 -0.000 0.000 0.207 1126 K C 1.967 178.282 176.600 -0.474 0.000 1.049 1126 K CA 1.886 57.961 56.287 -0.355 0.000 0.931 1126 K CB -0.311 32.040 32.500 -0.249 0.000 0.714 1126 K HN 0.613 nan 8.250 nan 0.000 0.440 1127 N N 0.058 118.315 118.700 -0.738 0.000 2.039 1127 N HA -0.161 4.579 4.740 -0.000 0.000 0.193 1127 N C 1.796 176.742 175.510 -0.940 0.000 1.044 1127 N CA 1.247 53.509 53.050 -1.313 0.000 0.847 1127 N CB -0.049 37.520 38.487 -1.530 0.000 1.030 1127 N HN -0.101 nan 8.380 nan 0.000 0.422 1128 V N 1.058 120.473 119.914 -0.832 0.000 2.332 1128 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 1128 V C 2.642 178.561 176.094 -0.291 0.000 1.055 1128 V CA 2.240 64.143 62.300 -0.662 0.000 1.038 1128 V CB -1.050 30.205 31.823 -0.946 0.000 0.651 1128 V HN 0.624 nan 8.190 nan 0.000 0.450 1129 T N -1.965 112.460 114.554 -0.215 0.000 3.014 1129 T HA -0.078 4.272 4.350 -0.000 0.000 0.263 1129 T C 1.806 176.488 174.700 -0.030 0.000 1.078 1129 T CA 1.357 63.409 62.100 -0.080 0.000 1.135 1129 T CB -0.157 68.696 68.868 -0.026 0.000 0.895 1129 T HN 0.602 nan 8.240 nan 0.000 0.480 1130 S N -1.312 114.366 115.700 -0.036 0.000 2.497 1130 S HA 0.145 4.615 4.470 -0.000 0.000 0.218 1130 S C 0.336 175.082 174.600 0.242 0.000 1.023 1130 S CA -0.733 57.515 58.200 0.079 0.000 0.913 1130 S CB -0.635 62.611 63.200 0.076 0.000 0.800 1130 S HN 0.494 nan 8.310 nan 0.000 0.505 1131 W N 4.517 125.804 121.300 -0.022 0.000 1.534 1131 W HA 0.421 5.080 4.660 -0.000 0.000 0.520 1131 W C 1.421 177.942 176.519 0.003 0.000 0.682 1131 W CA -1.491 55.851 57.345 -0.004 0.000 2.176 1131 W CB -0.746 28.726 29.460 0.020 0.000 1.620 1131 W HN 0.422 nan 8.180 nan 0.000 0.206 1132 K N 1.765 122.269 120.400 0.173 0.000 2.059 1132 K HA -0.263 4.057 4.320 -0.000 0.000 0.212 1132 K C 2.013 178.650 176.600 0.061 0.000 1.050 1132 K CA 2.062 58.405 56.287 0.094 0.000 0.927 1132 K CB 0.085 32.618 32.500 0.056 0.000 0.714 1132 K HN 0.252 nan 8.250 nan 0.000 0.447 1133 E N 0.173 120.376 120.200 0.004 0.000 2.401 1133 E HA -0.191 4.159 4.350 -0.000 0.000 0.199 1133 E C 1.078 177.594 176.600 -0.141 0.000 1.023 1133 E CA 0.892 57.258 56.400 -0.057 0.000 0.859 1133 E CB -0.071 29.556 29.700 -0.121 0.000 0.780 1133 E HN 0.329 nan 8.360 nan 0.000 0.523 1134 M N 0.924 120.490 119.600 -0.057 0.000 2.453 1134 M HA 0.233 4.713 4.480 -0.000 0.000 0.239 1134 M C -0.124 176.271 176.300 0.158 0.000 1.151 1134 M CA 0.208 55.445 55.300 -0.104 0.000 0.989 1134 M CB -0.026 32.629 32.600 0.092 0.000 1.548 1134 M HN -0.084 nan 8.290 nan 0.000 0.479 1135 K N 1.793 122.300 120.400 0.178 0.000 2.221 1135 K HA 0.475 4.795 4.320 -0.000 0.000 0.258 1135 K C -2.416 174.286 176.600 0.170 0.000 0.944 1135 K CA -1.678 54.727 56.287 0.196 0.000 0.823 1135 K CB 1.622 34.205 32.500 0.139 0.000 1.113 1135 K HN -0.055 nan 8.250 nan 0.000 0.431 1136 P HA 0.084 nan 4.420 nan 0.000 0.272 1136 P C -0.443 177.051 177.300 0.323 0.000 1.223 1136 P CA -0.236 62.958 63.100 0.158 0.000 0.784 1136 P CB 1.014 32.647 31.700 -0.112 0.000 0.923 1137 G N 0.549 109.603 108.800 0.423 0.000 2.619 1137 G HA2 0.579 4.538 3.960 -0.000 0.000 0.296 1137 G HA3 0.579 4.538 3.960 -0.000 0.000 0.296 1137 G C -2.256 172.905 174.900 0.435 0.000 1.334 1137 G CA -0.566 44.790 45.100 0.426 0.000 0.934 1137 G HN 0.404 nan 8.290 nan 0.000 0.476 1138 F N 1.657 121.711 119.950 0.174 0.000 2.500 1138 F HA 0.610 5.137 4.527 -0.000 0.000 0.349 1138 F C -1.280 174.576 175.800 0.093 0.000 1.127 1138 F CA -0.976 57.084 58.000 0.100 0.000 0.998 1138 F CB 1.117 40.189 39.000 0.120 0.000 1.237 1138 F HN 0.387 nan 8.300 nan 0.000 0.439 1139 Y N 4.621 124.897 120.300 -0.039 0.000 2.328 1139 Y HA 0.437 4.987 4.550 -0.000 0.000 0.337 1139 Y C -0.240 175.673 175.900 0.022 0.000 1.008 1139 Y CA -0.538 57.604 58.100 0.069 0.000 1.129 1139 Y CB 1.056 39.541 38.460 0.042 0.000 1.185 1139 Y HN 0.635 nan 8.280 nan 0.000 0.476 1140 H N 0.409 119.583 119.070 0.174 0.000 2.851 1140 H HA 0.951 5.507 4.556 -0.000 0.000 0.372 1140 H C -0.472 174.858 175.328 0.003 0.000 1.158 1140 H CA -1.292 54.810 56.048 0.089 0.000 1.159 1140 H CB 2.251 32.191 29.762 0.296 0.000 1.757 1140 H HN 0.840 nan 8.280 nan 0.000 0.546 1141 G N 0.375 109.081 108.800 -0.156 0.000 2.355 1141 G HA2 0.121 4.081 3.960 -0.000 0.000 0.296 1141 G HA3 0.121 4.081 3.960 -0.000 0.000 0.296 1141 G C -1.648 173.092 174.900 -0.267 0.000 1.507 1141 G CA -1.078 43.847 45.100 -0.292 0.000 0.823 1141 G HN 0.763 nan 8.290 nan 0.000 0.569 1142 H N 0.369 119.489 119.070 0.084 0.000 2.855 1142 H HA 0.394 4.950 4.556 -0.000 0.000 0.238 1142 H C -0.165 175.195 175.328 0.054 0.000 1.847 1142 H CA 0.210 56.387 56.048 0.215 0.000 1.368 1142 H CB 0.077 29.994 29.762 0.259 0.000 1.758 1142 H HN 0.229 nan 8.280 nan 0.000 0.546 1143 V N 2.030 121.908 119.914 -0.061 0.000 2.588 1143 V HA 0.153 4.273 4.120 -0.000 0.000 0.304 1143 V C 0.529 176.348 176.094 -0.458 0.000 1.042 1143 V CA -1.019 61.130 62.300 -0.252 0.000 0.877 1143 V CB 1.996 33.683 31.823 -0.227 0.000 0.996 1143 V HN 0.643 nan 8.190 nan 0.000 0.425 1144 S N 3.490 118.840 115.700 -0.583 0.000 2.600 1144 S HA 0.419 4.889 4.470 -0.000 0.000 0.265 1144 S C -0.260 174.352 174.600 0.020 0.000 1.325 1144 S CA -0.342 57.556 58.200 -0.503 0.000 1.002 1144 S CB 0.353 63.390 63.200 -0.272 0.000 0.921 1144 S HN 0.763 nan 8.310 nan 0.000 0.554 1145 Y N 1.237 121.515 120.300 -0.037 0.000 2.904 1145 Y HA 0.278 4.828 4.550 -0.000 0.000 0.336 1145 Y C -0.393 175.595 175.900 0.147 0.000 1.263 1145 Y CA -0.116 57.989 58.100 0.009 0.000 1.547 1145 Y CB 0.145 38.572 38.460 -0.055 0.000 1.272 1145 Y HN 0.684 nan 8.280 nan 0.000 0.596 1146 L N 7.499 128.293 121.223 -0.714 0.000 2.404 1146 L HA 0.328 4.668 4.340 -0.000 0.000 0.272 1146 L C -1.101 175.351 176.870 -0.697 0.000 0.980 1146 L CA -0.655 53.846 54.840 -0.565 0.000 0.836 1146 L CB 1.367 43.222 42.059 -0.341 0.000 1.238 1146 L HN 0.749 nan 8.230 nan 0.000 0.408 1147 D N 4.199 124.298 120.400 -0.501 0.000 2.344 1147 D HA 0.014 4.654 4.640 -0.000 0.000 0.253 1147 D C 0.715 177.167 176.300 0.253 0.000 1.255 1147 D CA 0.154 54.103 54.000 -0.085 0.000 0.894 1147 D CB 0.445 41.323 40.800 0.130 0.000 1.067 1147 D HN 0.637 nan 8.370 nan 0.000 0.492 1148 F N 2.441 122.444 119.950 0.089 0.000 2.365 1148 F HA -0.117 4.410 4.527 -0.000 0.000 0.300 1148 F C 2.493 178.441 175.800 0.246 0.000 1.090 1148 F CA 0.522 58.619 58.000 0.163 0.000 1.408 1148 F CB 0.204 39.229 39.000 0.041 0.000 1.060 1148 F HN 0.522 nan 8.300 nan 0.000 0.534 1149 A N 0.656 123.672 122.820 0.327 0.000 1.892 1149 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 1149 A C 2.110 179.751 177.584 0.095 0.000 1.188 1149 A CA 1.899 54.050 52.037 0.190 0.000 0.631 1149 A CB -0.664 18.423 19.000 0.146 0.000 0.822 1149 A HN 0.331 nan 8.150 nan 0.000 0.447 1150 K N -1.335 119.066 120.400 0.001 0.000 2.362 1150 K HA -0.142 4.178 4.320 -0.000 0.000 0.202 1150 K C 0.731 177.051 176.600 -0.466 0.000 1.045 1150 K CA 1.437 57.552 56.287 -0.285 0.000 0.936 1150 K CB -0.341 31.837 32.500 -0.536 0.000 0.747 1150 K HN 0.604 nan 8.250 nan 0.000 0.467 1151 F N -0.015 119.889 119.950 -0.075 0.000 2.693 1151 F HA 0.215 4.742 4.527 -0.000 0.000 0.303 1151 F C 1.211 176.974 175.800 -0.062 0.000 1.097 1151 F CA -0.022 57.916 58.000 -0.104 0.000 1.330 1151 F CB 0.459 39.334 39.000 -0.209 0.000 1.067 1151 F HN 0.044 nan 8.300 nan 0.000 0.565 1152 G N 1.716 110.565 108.800 0.082 0.000 2.295 1152 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.287 1152 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.287 1152 G C 0.093 175.040 174.900 0.078 0.000 1.055 1152 G CA 0.178 45.313 45.100 0.060 0.000 0.922 1152 G HN 0.447 nan 8.290 nan 0.000 0.503 1153 V N -3.347 116.636 119.914 0.116 0.000 2.904 1153 V HA 0.637 4.757 4.120 -0.000 0.000 0.305 1153 V C 1.502 177.646 176.094 0.083 0.000 1.067 1153 V CA 0.165 62.530 62.300 0.108 0.000 1.044 1153 V CB 1.388 33.319 31.823 0.180 0.000 1.050 1153 V HN 0.238 nan 8.190 nan 0.000 0.475 1154 K N 1.094 121.530 120.400 0.060 0.000 1.975 1154 K HA 0.073 4.392 4.320 -0.000 0.000 0.210 1154 K C 0.845 177.474 176.600 0.048 0.000 1.041 1154 K CA 1.263 57.578 56.287 0.046 0.000 0.942 1154 K CB 0.001 32.520 32.500 0.033 0.000 0.729 1154 K HN 0.700 nan 8.250 nan 0.000 0.439 1155 K N 1.918 122.342 120.400 0.040 0.000 2.293 1155 K HA 0.148 4.468 4.320 -0.000 0.000 0.267 1155 K C -0.953 175.648 176.600 0.003 0.000 1.010 1155 K CA -0.277 56.025 56.287 0.025 0.000 0.875 1155 K CB 1.156 33.663 32.500 0.012 0.000 1.106 1155 K HN -0.076 nan 8.250 nan 0.000 0.450 1156 K N 3.939 124.342 120.400 0.005 0.000 2.219 1156 K HA 0.222 4.541 4.320 -0.000 0.000 0.258 1156 K C -2.069 174.413 176.600 -0.197 0.000 1.008 1156 K CA -1.413 54.835 56.287 -0.064 0.000 0.928 1156 K CB 0.537 33.052 32.500 0.026 0.000 0.983 1156 K HN 0.521 nan 8.250 nan 0.000 0.484 1157 P HA 0.293 nan 4.420 nan 0.000 0.281 1157 P C -0.604 176.521 177.300 -0.291 0.000 1.281 1157 P CA -0.417 62.408 63.100 -0.458 0.000 0.811 1157 P CB 0.808 32.008 31.700 -0.834 0.000 1.154 1158 I N 0.671 121.069 120.570 -0.287 0.000 2.353 1158 I HA 0.229 4.399 4.170 -0.000 0.000 0.293 1158 I C -0.217 175.752 176.117 -0.246 0.000 0.992 1158 I CA -0.689 60.507 61.300 -0.172 0.000 1.268 1158 I CB 0.528 38.386 38.000 -0.236 0.000 1.387 1158 I HN 0.253 nan 8.210 nan 0.000 0.478 1159 Y N 6.894 127.111 120.300 -0.137 0.000 2.341 1159 Y HA 0.617 5.167 4.550 -0.000 0.000 0.337 1159 Y C 0.221 176.170 175.900 0.081 0.000 1.014 1159 Y CA -0.545 57.425 58.100 -0.216 0.000 1.111 1159 Y CB 1.491 39.488 38.460 -0.773 0.000 1.194 1159 Y HN 0.330 nan 8.280 nan 0.000 0.462 1160 I N 0.546 121.389 120.570 0.455 0.000 2.969 1160 I HA 0.709 4.879 4.170 -0.000 0.000 0.307 1160 I C -1.445 175.132 176.117 0.767 0.000 1.149 1160 I CA -0.855 60.825 61.300 0.633 0.000 1.008 1160 I CB 2.755 41.011 38.000 0.428 0.000 1.232 1160 I HN 0.506 nan 8.210 nan 0.000 0.435 1161 N N 1.735 120.806 118.700 0.618 0.000 3.179 1161 N HA 0.680 5.420 4.740 -0.000 0.000 0.250 1161 N C -2.056 173.497 175.510 0.071 0.000 1.507 1161 N CA -0.250 53.125 53.050 0.541 0.000 0.883 1161 N CB 2.848 41.658 38.487 0.540 0.000 1.435 1161 N HN 0.580 nan 8.380 nan 0.000 0.532 1162 V N 1.827 121.795 119.914 0.089 0.000 2.711 1162 V HA 0.565 4.685 4.120 -0.000 0.000 0.304 1162 V C -0.165 175.904 176.094 -0.042 0.000 1.097 1162 V CA -0.746 61.408 62.300 -0.244 0.000 0.906 1162 V CB 1.555 33.141 31.823 -0.397 0.000 1.015 1162 V HN 0.634 nan 8.190 nan 0.000 0.427 1163 I N 2.415 122.932 120.570 -0.087 0.000 3.002 1163 I HA 0.985 5.155 4.170 -0.000 0.000 0.310 1163 I C -0.518 175.632 176.117 0.055 0.000 1.087 1163 I CA -1.115 60.194 61.300 0.016 0.000 1.017 1163 I CB 2.542 40.578 38.000 0.060 0.000 1.226 1163 I HN 0.803 nan 8.210 nan 0.000 0.443 1164 R N 0.793 121.311 120.500 0.028 0.000 2.869 1164 R HA 0.464 4.804 4.340 -0.000 0.000 0.263 1164 R C -1.204 174.747 176.300 -0.582 0.000 1.066 1164 R CA -0.755 55.293 56.100 -0.087 0.000 0.960 1164 R CB 0.794 31.033 30.300 -0.102 0.000 1.221 1164 R HN 0.743 nan 8.270 nan 0.000 0.474 1165 D N 0.954 120.735 120.400 -1.032 0.000 2.583 1165 D HA -0.011 4.629 4.640 -0.000 0.000 0.232 1165 D C -1.497 174.546 176.300 -0.428 0.000 1.128 1165 D CA -0.834 52.538 54.000 -1.048 0.000 0.859 1165 D CB 1.044 41.506 40.800 -0.564 0.000 1.169 1165 D HN 0.309 nan 8.370 nan 0.000 0.481 1166 P HA -0.199 nan 4.420 nan 0.000 0.215 1166 P C 1.340 178.650 177.300 0.017 0.000 1.163 1166 P CA 1.252 64.308 63.100 -0.074 0.000 0.894 1166 P CB 0.085 31.766 31.700 -0.032 0.000 0.791 1167 I N -0.615 120.007 120.570 0.087 0.000 2.133 1167 I HA -0.233 3.937 4.170 -0.000 0.000 0.238 1167 I C 2.345 178.413 176.117 -0.081 0.000 1.074 1167 I CA 1.581 62.912 61.300 0.053 0.000 1.342 1167 I CB -0.760 37.285 38.000 0.076 0.000 1.053 1167 I HN -0.028 nan 8.210 nan 0.000 0.404 1168 E N 0.301 120.445 120.200 -0.093 0.000 2.171 1168 E HA -0.282 4.067 4.350 -0.000 0.000 0.197 1168 E C 2.282 178.838 176.600 -0.073 0.000 0.997 1168 E CA 0.986 57.325 56.400 -0.102 0.000 0.810 1168 E CB -0.142 29.506 29.700 -0.086 0.000 0.738 1168 E HN 0.317 nan 8.360 nan 0.000 0.467 1169 R N 0.567 121.027 120.500 -0.068 0.000 2.090 1169 R HA -0.123 4.216 4.340 -0.000 0.000 0.228 1169 R C 2.360 178.682 176.300 0.035 0.000 1.110 1169 R CA 0.664 56.749 56.100 -0.025 0.000 0.973 1169 R CB -0.119 30.148 30.300 -0.055 0.000 0.869 1169 R HN 0.139 nan 8.270 nan 0.000 0.440 1170 L N 0.719 121.955 121.223 0.021 0.000 2.027 1170 L HA -0.116 4.223 4.340 -0.000 0.000 0.206 1170 L C 2.139 179.040 176.870 0.052 0.000 1.074 1170 L CA 1.481 56.384 54.840 0.104 0.000 0.745 1170 L CB -0.504 41.629 42.059 0.123 0.000 0.898 1170 L HN -0.066 nan 8.230 nan 0.000 0.433 1171 V N -0.925 118.831 119.914 -0.263 0.000 2.332 1171 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 1171 V C 2.805 178.898 176.094 -0.003 0.000 1.055 1171 V CA 1.883 63.889 62.300 -0.491 0.000 1.038 1171 V CB -0.885 30.597 31.823 -0.570 0.000 0.651 1171 V HN 0.670 nan 8.190 nan 0.000 0.450 1172 S N -1.079 114.674 115.700 0.090 0.000 2.368 1172 S HA -0.266 4.204 4.470 -0.000 0.000 0.225 1172 S C 2.028 176.803 174.600 0.291 0.000 1.030 1172 S CA 1.854 60.176 58.200 0.204 0.000 0.999 1172 S CB -0.467 62.813 63.200 0.134 0.000 0.844 1172 S HN 0.662 nan 8.310 nan 0.000 0.459 1173 Y N 0.529 120.922 120.300 0.154 0.000 2.352 1173 Y HA -0.035 4.515 4.550 -0.000 0.000 0.292 1173 Y C 1.974 178.034 175.900 0.267 0.000 1.136 1173 Y CA 1.328 59.552 58.100 0.208 0.000 1.227 1173 Y CB -0.724 37.817 38.460 0.135 0.000 0.991 1173 Y HN 0.487 nan 8.280 nan 0.000 0.545 1174 Y N -0.588 119.768 120.300 0.093 0.000 2.070 1174 Y HA -0.318 4.232 4.550 -0.000 0.000 0.279 1174 Y C 1.910 177.778 175.900 -0.054 0.000 1.134 1174 Y CA 2.253 60.338 58.100 -0.025 0.000 1.113 1174 Y CB -1.057 37.382 38.460 -0.035 0.000 0.981 1174 Y HN 0.090 nan 8.280 nan 0.000 0.487 1175 Y N -0.935 119.539 120.300 0.289 0.000 2.497 1175 Y HA -0.160 4.390 4.550 -0.000 0.000 0.292 1175 Y C 2.176 178.169 175.900 0.155 0.000 1.137 1175 Y CA 0.891 59.140 58.100 0.249 0.000 1.285 1175 Y CB -1.127 37.591 38.460 0.430 0.000 0.991 1175 Y HN 0.324 nan 8.280 nan 0.000 0.556 1176 F N 0.388 120.405 119.950 0.112 0.000 2.075 1176 F HA -0.203 4.324 4.527 -0.000 0.000 0.297 1176 F C 1.840 177.582 175.800 -0.098 0.000 1.113 1176 F CA 1.499 59.516 58.000 0.030 0.000 1.218 1176 F CB -0.762 38.223 39.000 -0.026 0.000 0.984 1176 F HN -0.061 nan 8.300 nan 0.000 0.472 1177 L N 0.146 121.075 121.223 -0.490 0.000 2.261 1177 L HA -0.207 4.133 4.340 -0.000 0.000 0.216 1177 L C 2.321 178.890 176.870 -0.501 0.000 1.114 1177 L CA 1.445 55.933 54.840 -0.586 0.000 0.777 1177 L CB -0.511 41.259 42.059 -0.483 0.000 0.910 1177 L HN 0.215 nan 8.230 nan 0.000 0.440 1178 R N -1.957 118.262 120.500 -0.468 0.000 2.254 1178 R HA 0.106 4.446 4.340 -0.000 0.000 0.193 1178 R C 1.020 176.906 176.300 -0.689 0.000 0.929 1178 R CA 0.423 56.167 56.100 -0.593 0.000 1.038 1178 R CB 0.250 30.116 30.300 -0.723 0.000 1.009 1178 R HN 0.194 nan 8.270 nan 0.000 0.512 1179 F N 0.134 120.012 119.950 -0.121 0.000 2.746 1179 F HA 0.361 4.888 4.527 -0.000 0.000 0.320 1179 F C 1.172 176.914 175.800 -0.096 0.000 1.097 1179 F CA 0.160 58.118 58.000 -0.071 0.000 1.195 1179 F CB 0.854 39.853 39.000 -0.003 0.000 1.056 1179 F HN 0.124 nan 8.300 nan 0.000 0.562 1180 G N 1.505 110.240 108.800 -0.109 0.000 2.752 1180 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.234 1180 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.234 1180 G C -0.856 174.127 174.900 0.138 0.000 1.367 1180 G CA -0.097 44.913 45.100 -0.151 0.000 0.879 1180 G HN 0.426 nan 8.290 nan 0.000 0.563 1181 D N -1.893 118.657 120.400 0.249 0.000 2.553 1181 D HA 0.573 5.212 4.640 -0.000 0.000 0.249 1181 D C 0.668 177.105 176.300 0.230 0.000 1.062 1181 D CA 0.145 54.341 54.000 0.328 0.000 1.085 1181 D CB 0.970 42.047 40.800 0.460 0.000 1.350 1181 D HN 0.563 nan 8.370 nan 0.000 0.575 1182 D N -2.113 118.420 120.400 0.223 0.000 2.349 1182 D HA -0.021 4.619 4.640 -0.000 0.000 0.214 1182 D C 0.930 177.352 176.300 0.204 0.000 1.063 1182 D CA -0.115 53.988 54.000 0.172 0.000 0.847 1182 D CB -0.360 40.522 40.800 0.137 0.000 0.933 1182 D HN 0.343 nan 8.370 nan 0.000 0.513 1183 Y N 1.772 122.142 120.300 0.117 0.000 2.153 1183 Y HA 0.165 4.714 4.550 -0.000 0.000 0.289 1183 Y C 1.602 177.553 175.900 0.085 0.000 1.119 1183 Y CA 1.988 60.149 58.100 0.102 0.000 1.116 1183 Y CB -0.046 38.486 38.460 0.120 0.000 1.004 1183 Y HN 0.080 nan 8.280 nan 0.000 0.501 1184 R N 0.535 121.115 120.500 0.135 0.000 2.587 1184 R HA 0.367 4.706 4.340 -0.000 0.000 0.283 1184 R C -2.470 173.878 176.300 0.081 0.000 1.472 1184 R CA -1.258 54.865 56.100 0.038 0.000 1.578 1184 R CB -1.025 29.324 30.300 0.081 0.000 1.130 1184 R HN 0.241 nan 8.270 nan 0.000 0.602 1185 P HA -0.102 nan 4.420 nan 0.000 0.218 1185 P C 1.746 179.067 177.300 0.035 0.000 1.149 1185 P CA 1.626 64.760 63.100 0.057 0.000 0.817 1185 P CB 0.315 32.042 31.700 0.045 0.000 0.785 1186 G N 0.454 109.267 108.800 0.021 0.000 2.514 1186 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.217 1186 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.217 1186 G C 0.296 175.203 174.900 0.013 0.000 1.198 1186 G CA 0.442 45.550 45.100 0.012 0.000 0.780 1186 G HN 0.188 nan 8.290 nan 0.000 0.565 1187 L N 2.047 123.282 121.223 0.020 0.000 2.597 1187 L HA 0.161 4.500 4.340 -0.000 0.000 0.271 1187 L C 0.844 177.710 176.870 -0.007 0.000 1.157 1187 L CA 0.293 55.142 54.840 0.015 0.000 0.928 1187 L CB 0.311 42.392 42.059 0.037 0.000 1.216 1187 L HN 0.165 nan 8.230 nan 0.000 0.481 1188 R N 4.111 124.596 120.500 -0.024 0.000 2.389 1188 R HA 0.313 4.653 4.340 -0.000 0.000 0.295 1188 R C -0.088 176.157 176.300 -0.092 0.000 1.075 1188 R CA -0.906 55.161 56.100 -0.056 0.000 1.005 1188 R CB 0.586 30.856 30.300 -0.049 0.000 0.987 1188 R HN 0.402 nan 8.270 nan 0.000 0.452 1189 R N 2.028 122.427 120.500 -0.168 0.000 2.582 1189 R HA 0.091 4.431 4.340 -0.000 0.000 0.271 1189 R C 1.744 177.929 176.300 -0.192 0.000 1.078 1189 R CA 0.118 56.081 56.100 -0.230 0.000 1.127 1189 R CB -0.008 30.005 30.300 -0.479 0.000 1.038 1189 R HN 0.805 nan 8.270 nan 0.000 0.500 1190 R N 2.469 122.879 120.500 -0.150 0.000 2.265 1190 R HA -0.236 4.104 4.340 -0.000 0.000 0.268 1190 R C 1.031 177.249 176.300 -0.138 0.000 1.178 1190 R CA 2.444 58.476 56.100 -0.114 0.000 1.005 1190 R CB -1.061 29.192 30.300 -0.078 0.000 0.891 1190 R HN 0.615 nan 8.270 nan 0.000 0.472 1191 K N 0.016 120.295 120.400 -0.202 0.000 2.758 1191 K HA 0.156 4.476 4.320 -0.000 0.000 0.208 1191 K C -0.228 176.214 176.600 -0.263 0.000 1.091 1191 K CA -0.403 55.755 56.287 -0.214 0.000 1.059 1191 K CB 0.914 33.267 32.500 -0.245 0.000 0.801 1191 K HN 0.406 nan 8.250 nan 0.000 0.470 1192 Q N 1.040 120.698 119.800 -0.236 0.000 2.283 1192 Q HA 0.058 4.398 4.340 -0.000 0.000 0.301 1192 Q C 0.685 176.553 176.000 -0.220 0.000 1.063 1192 Q CA 1.608 57.264 55.803 -0.245 0.000 0.952 1192 Q CB 0.292 28.937 28.738 -0.156 0.000 1.166 1192 Q HN 0.557 nan 8.270 nan 0.000 0.381 1193 G N 3.566 112.193 108.800 -0.289 0.000 2.341 1193 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.278 1193 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.278 1193 G C -0.875 173.921 174.900 -0.173 0.000 1.111 1193 G CA 0.061 45.048 45.100 -0.189 0.000 0.982 1193 G HN 0.707 nan 8.290 nan 0.000 0.502 1194 D N -0.293 119.952 120.400 -0.258 0.000 2.391 1194 D HA 0.668 5.307 4.640 -0.000 0.000 0.245 1194 D C 1.003 177.245 176.300 -0.096 0.000 1.069 1194 D CA 0.202 54.109 54.000 -0.156 0.000 0.831 1194 D CB 1.221 41.905 40.800 -0.194 0.000 1.204 1194 D HN 0.385 nan 8.370 nan 0.000 0.503 1195 K N 2.134 122.544 120.400 0.018 0.000 2.379 1195 K HA 0.186 4.506 4.320 -0.000 0.000 0.194 1195 K C 1.171 177.876 176.600 0.174 0.000 1.031 1195 K CA 0.835 57.193 56.287 0.118 0.000 1.037 1195 K CB -0.860 31.701 32.500 0.102 0.000 0.824 1195 K HN 0.640 nan 8.250 nan 0.000 0.516 1196 K N 2.394 122.878 120.400 0.140 0.000 2.437 1196 K HA 0.231 4.551 4.320 -0.000 0.000 0.277 1196 K C 0.728 177.533 176.600 0.342 0.000 1.073 1196 K CA 0.417 56.813 56.287 0.182 0.000 1.105 1196 K CB -1.420 31.168 32.500 0.147 0.000 0.881 1196 K HN 0.742 nan 8.250 nan 0.000 0.475 1197 T N -0.770 113.970 114.554 0.309 0.000 2.732 1197 T HA 0.393 4.743 4.350 -0.000 0.000 0.287 1197 T C 1.006 175.829 174.700 0.206 0.000 0.993 1197 T CA -0.074 62.302 62.100 0.459 0.000 0.966 1197 T CB 0.335 69.407 68.868 0.339 0.000 1.047 1197 T HN 0.473 nan 8.240 nan 0.000 0.527 1198 F N 1.301 121.216 119.950 -0.059 0.000 2.060 1198 F HA 0.010 4.536 4.527 -0.000 0.000 0.295 1198 F C 1.953 177.565 175.800 -0.314 0.000 1.120 1198 F CA 1.872 59.449 58.000 -0.705 0.000 1.205 1198 F CB -0.900 37.753 39.000 -0.578 0.000 0.986 1198 F HN 0.702 nan 8.300 nan 0.000 0.470 1199 D N -0.108 120.293 120.400 0.001 0.000 2.158 1199 D HA -0.226 4.414 4.640 -0.000 0.000 0.197 1199 D C 2.036 178.268 176.300 -0.113 0.000 0.995 1199 D CA 1.860 55.840 54.000 -0.032 0.000 0.846 1199 D CB -0.244 40.600 40.800 0.073 0.000 0.941 1199 D HN 0.465 nan 8.370 nan 0.000 0.456 1200 E N -0.278 119.880 120.200 -0.070 0.000 2.047 1200 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 1200 E C 2.049 178.575 176.600 -0.124 0.000 0.987 1200 E CA 0.742 57.110 56.400 -0.053 0.000 0.799 1200 E CB -0.159 29.555 29.700 0.023 0.000 0.752 1200 E HN 0.328 nan 8.360 nan 0.000 0.449 1201 c N 0.374 118.838 118.600 -0.225 0.000 2.413 1201 c HA -0.127 4.442 4.570 -0.000 0.000 0.276 1201 c C 2.619 176.521 174.090 -0.313 0.000 1.248 1201 c CA 0.742 56.910 56.329 -0.268 0.000 1.742 1201 c CB -0.803 41.452 42.510 -0.426 0.000 2.017 1201 c HN 0.202 nan 8.230 nan 0.000 0.481 1202 V N 1.803 121.447 119.914 -0.450 0.000 2.233 1202 V HA -0.192 3.928 4.120 -0.000 0.000 0.247 1202 V C 2.967 178.955 176.094 -0.176 0.000 1.050 1202 V CA 2.459 64.558 62.300 -0.336 0.000 1.010 1202 V CB -1.535 30.093 31.823 -0.325 0.000 0.637 1202 V HN 0.681 nan 8.190 nan 0.000 0.444 1203 A N -0.272 122.465 122.820 -0.139 0.000 2.032 1203 A HA -0.076 4.244 4.320 -0.000 0.000 0.221 1203 A C 2.091 179.635 177.584 -0.067 0.000 1.165 1203 A CA 2.095 54.083 52.037 -0.081 0.000 0.645 1203 A CB -0.554 18.411 19.000 -0.059 0.000 0.807 1203 A HN 0.687 nan 8.150 nan 0.000 0.453 1204 A N -1.588 121.187 122.820 -0.076 0.000 2.387 1204 A HA 0.462 4.782 4.320 -0.000 0.000 0.234 1204 A C 1.502 179.054 177.584 -0.054 0.000 1.253 1204 A CA 0.874 52.879 52.037 -0.053 0.000 0.894 1204 A CB -0.974 18.001 19.000 -0.040 0.000 0.963 1204 A HN 1.838 nan 8.150 nan 0.000 0.508 1205 G N -0.025 108.731 108.800 -0.074 0.000 2.366 1205 G HA2 -0.026 3.933 3.960 -0.000 0.000 0.299 1205 G HA3 -0.026 3.933 3.960 -0.000 0.000 0.299 1205 G C 0.659 175.530 174.900 -0.049 0.000 1.020 1205 G CA 0.425 45.488 45.100 -0.062 0.000 1.026 1205 G HN 1.229 nan 8.290 nan 0.000 0.512 1206 G N -0.773 107.988 108.800 -0.065 0.000 2.651 1206 G HA2 0.506 4.466 3.960 -0.000 0.000 0.260 1206 G HA3 0.506 4.466 3.960 -0.000 0.000 0.260 1206 G C 1.228 176.125 174.900 -0.004 0.000 1.216 1206 G CA 0.835 45.918 45.100 -0.028 0.000 0.913 1206 G HN 1.119 nan 8.290 nan 0.000 0.535 1207 S N -0.730 114.987 115.700 0.029 0.000 2.345 1207 S HA -0.124 4.346 4.470 -0.000 0.000 0.219 1207 S C 1.710 176.365 174.600 0.092 0.000 1.031 1207 S CA 1.801 60.032 58.200 0.052 0.000 0.984 1207 S CB -0.359 62.873 63.200 0.054 0.000 0.874 1207 S HN 0.502 nan 8.310 nan 0.000 0.451 1208 D N 0.849 121.329 120.400 0.132 0.000 2.378 1208 D HA -0.016 4.623 4.640 -0.000 0.000 0.222 1208 D C 1.516 177.968 176.300 0.254 0.000 0.980 1208 D CA 1.024 55.158 54.000 0.224 0.000 0.907 1208 D CB -0.353 40.604 40.800 0.261 0.000 0.899 1208 D HN 0.669 nan 8.370 nan 0.000 0.527 1209 c N -1.298 117.355 118.600 0.089 0.000 3.125 1209 c HA 0.767 5.337 4.570 -0.000 0.000 0.284 1209 c C 1.089 175.174 174.090 -0.009 0.000 1.386 1209 c CA -1.239 55.063 56.329 -0.045 0.000 1.763 1209 c CB -0.921 41.231 42.510 -0.596 0.000 2.377 1209 c HN 0.102 nan 8.230 nan 0.000 0.620 1210 A N 2.395 125.243 122.820 0.047 0.000 2.483 1210 A HA 0.482 4.802 4.320 -0.000 0.000 0.238 1210 A C -0.819 176.820 177.584 0.093 0.000 1.070 1210 A CA -0.431 51.635 52.037 0.049 0.000 0.770 1210 A CB 0.054 19.087 19.000 0.055 0.000 1.008 1210 A HN 0.357 nan 8.150 nan 0.000 0.497 1211 P HA -0.207 nan 4.420 nan 0.000 0.216 1211 P C 1.226 178.612 177.300 0.143 0.000 1.153 1211 P CA 1.618 64.792 63.100 0.123 0.000 0.858 1211 P CB 0.061 31.820 31.700 0.097 0.000 0.789 1212 E N -0.101 120.162 120.200 0.105 0.000 2.455 1212 E HA -0.193 4.157 4.350 -0.000 0.000 0.202 1212 E C 1.078 177.787 176.600 0.181 0.000 1.045 1212 E CA 1.066 57.532 56.400 0.111 0.000 0.872 1212 E CB -0.691 29.039 29.700 0.050 0.000 0.792 1212 E HN 0.232 nan 8.360 nan 0.000 0.542 1213 K N 0.554 121.060 120.400 0.177 0.000 2.487 1213 K HA 0.174 4.494 4.320 -0.000 0.000 0.192 1213 K C 1.955 178.668 176.600 0.188 0.000 1.027 1213 K CA 0.055 56.454 56.287 0.187 0.000 1.054 1213 K CB 0.115 32.729 32.500 0.190 0.000 0.824 1213 K HN 0.276 nan 8.250 nan 0.000 0.510 1214 L N -0.626 120.726 121.223 0.216 0.000 2.341 1214 L HA 0.033 4.373 4.340 -0.000 0.000 0.214 1214 L C 1.121 178.107 176.870 0.193 0.000 1.115 1214 L CA 0.069 55.026 54.840 0.196 0.000 0.820 1214 L CB -0.025 42.176 42.059 0.237 0.000 0.944 1214 L HN 0.267 nan 8.230 nan 0.000 0.452 1215 W N 1.534 122.847 121.300 0.022 0.000 2.598 1215 W HA 0.137 4.797 4.660 -0.000 0.000 0.396 1215 W C 0.026 176.539 176.519 -0.010 0.000 1.142 1215 W CA 0.216 57.551 57.345 -0.017 0.000 1.568 1215 W CB 0.865 30.323 29.460 -0.004 0.000 1.637 1215 W HN 0.109 nan 8.180 nan 0.000 0.417 1216 L N 3.209 124.308 121.223 -0.207 0.000 2.249 1216 L HA 0.080 4.420 4.340 -0.000 0.000 0.204 1216 L C 2.082 178.796 176.870 -0.260 0.000 1.135 1216 L CA 0.829 55.568 54.840 -0.169 0.000 1.070 1216 L CB -0.305 41.681 42.059 -0.121 0.000 2.194 1216 L HN 0.247 nan 8.230 nan 0.000 0.504 1217 Q N 0.114 119.764 119.800 -0.250 0.000 2.170 1217 Q HA -0.052 4.288 4.340 -0.000 0.000 0.203 1217 Q C 2.027 177.852 176.000 -0.292 0.000 0.976 1217 Q CA 2.176 57.909 55.803 -0.117 0.000 0.858 1217 Q CB 0.016 28.771 28.738 0.029 0.000 0.907 1217 Q HN 0.565 nan 8.270 nan 0.000 0.433 1218 I N 0.508 120.629 120.570 -0.748 0.000 2.163 1218 I HA -0.188 3.982 4.170 -0.000 0.000 0.240 1218 I C -0.873 174.736 176.117 -0.847 0.000 1.081 1218 I CA 0.899 61.504 61.300 -1.158 0.000 1.353 1218 I CB -1.078 36.032 38.000 -1.484 0.000 1.054 1218 I HN 0.114 nan 8.210 nan 0.000 0.407 1219 P HA -0.145 nan 4.420 nan 0.000 0.218 1219 P C 1.576 178.647 177.300 -0.383 0.000 1.149 1219 P CA 1.344 63.898 63.100 -0.910 0.000 0.817 1219 P CB -0.067 30.653 31.700 -1.633 0.000 0.785 1220 F N -2.167 117.609 119.950 -0.289 0.000 2.269 1220 F HA -0.083 4.443 4.527 -0.000 0.000 0.301 1220 F C 1.862 177.611 175.800 -0.086 0.000 1.082 1220 F CA 1.368 59.340 58.000 -0.046 0.000 1.360 1220 F CB -0.704 38.310 39.000 0.023 0.000 1.041 1220 F HN -0.129 nan 8.300 nan 0.000 0.512 1221 F N -2.468 117.464 119.950 -0.031 0.000 2.437 1221 F HA 0.013 4.540 4.527 -0.000 0.000 0.288 1221 F C 2.509 178.261 175.800 -0.079 0.000 1.085 1221 F CA 0.541 58.502 58.000 -0.066 0.000 1.430 1221 F CB -1.103 37.801 39.000 -0.160 0.000 1.120 1221 F HN -0.036 nan 8.300 nan 0.000 0.556 1222 c N 0.349 118.929 118.600 -0.033 0.000 2.411 1222 c HA 0.323 4.893 4.570 -0.000 0.000 0.279 1222 c C 1.546 175.717 174.090 0.135 0.000 1.288 1222 c CA 1.355 57.655 56.329 -0.049 0.000 1.764 1222 c CB -1.495 40.902 42.510 -0.187 0.000 1.974 1222 c HN 0.745 nan 8.230 nan 0.000 0.498 1223 G N -1.233 107.666 108.800 0.164 0.000 2.472 1223 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.205 1223 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.205 1223 G C -0.380 174.740 174.900 0.367 0.000 1.270 1223 G CA 0.216 45.517 45.100 0.336 0.000 0.974 1223 G HN 0.488 nan 8.290 nan 0.000 0.542 1224 H N 0.884 120.101 119.070 0.245 0.000 2.610 1224 H HA 0.556 5.112 4.556 -0.000 0.000 0.302 1224 H C 0.909 176.395 175.328 0.264 0.000 1.063 1224 H CA 0.750 56.951 56.048 0.255 0.000 1.159 1224 H CB 0.013 29.844 29.762 0.116 0.000 1.427 1224 H HN 0.402 nan 8.280 nan 0.000 0.553 1225 S N -1.037 114.892 115.700 0.382 0.000 2.541 1225 S HA 0.089 4.559 4.470 -0.000 0.000 0.283 1225 S C 1.430 176.221 174.600 0.320 0.000 1.196 1225 S CA -0.446 57.935 58.200 0.302 0.000 1.062 1225 S CB 2.038 65.429 63.200 0.318 0.000 1.009 1225 S HN 0.434 nan 8.310 nan 0.000 0.502 1226 S N 1.662 117.487 115.700 0.208 0.000 2.369 1226 S HA -0.216 4.253 4.470 -0.000 0.000 0.225 1226 S C 1.871 176.589 174.600 0.198 0.000 1.043 1226 S CA 2.015 60.333 58.200 0.196 0.000 1.074 1226 S CB -0.483 62.761 63.200 0.075 0.000 0.962 1226 S HN 0.746 nan 8.310 nan 0.000 0.433 1227 E N 0.449 120.691 120.200 0.070 0.000 2.147 1227 E HA -0.162 4.188 4.350 -0.000 0.000 0.199 1227 E C 2.128 178.861 176.600 0.221 0.000 1.005 1227 E CA 1.648 58.086 56.400 0.063 0.000 0.810 1227 E CB -0.905 28.672 29.700 -0.204 0.000 0.736 1227 E HN 0.674 nan 8.360 nan 0.000 0.460 1228 c N -0.911 117.823 118.600 0.223 0.000 2.413 1228 c HA -0.138 4.432 4.570 -0.000 0.000 0.277 1228 c C 1.761 175.755 174.090 -0.160 0.000 1.265 1228 c CA 0.840 57.164 56.329 -0.008 0.000 1.752 1228 c CB -1.476 40.889 42.510 -0.242 0.000 1.998 1228 c HN 0.557 nan 8.230 nan 0.000 0.489 1229 W N 1.063 122.526 121.300 0.271 0.000 3.400 1229 W HA 0.244 4.904 4.660 -0.000 0.000 0.347 1229 W C 0.345 176.971 176.519 0.179 0.000 1.218 1229 W CA -0.348 57.163 57.345 0.277 0.000 1.837 1229 W CB -0.598 28.950 29.460 0.147 0.000 1.067 1229 W HN 0.215 nan 8.180 nan 0.000 0.701 1230 N N 1.071 119.894 118.700 0.204 0.000 2.500 1230 N HA 0.121 4.861 4.740 -0.000 0.000 0.236 1230 N C -0.287 175.026 175.510 -0.329 0.000 1.022 1230 N CA -0.120 52.928 53.050 -0.003 0.000 0.935 1230 N CB 1.162 39.648 38.487 -0.003 0.000 1.147 1230 N HN -0.274 nan 8.380 nan 0.000 0.512 1231 V N 1.354 120.929 119.914 -0.565 0.000 2.583 1231 V HA 0.033 4.153 4.120 -0.000 0.000 0.302 1231 V C 1.548 176.908 176.094 -1.224 0.000 1.033 1231 V CA 1.172 62.658 62.300 -1.356 0.000 1.194 1231 V CB -0.146 31.271 31.823 -0.676 0.000 0.879 1231 V HN 0.989 nan 8.190 nan 0.000 0.482 1232 G N 3.553 111.126 108.800 -2.046 0.000 2.141 1232 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.242 1232 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.242 1232 G C 0.377 175.028 174.900 -0.415 0.000 0.982 1232 G CA 0.227 44.782 45.100 -0.908 0.000 0.662 1232 G HN 1.154 nan 8.290 nan 0.000 0.527 1233 S N -0.363 115.143 115.700 -0.324 0.000 2.510 1233 S HA 0.454 4.924 4.470 -0.000 0.000 0.279 1233 S C 1.705 176.419 174.600 0.190 0.000 1.284 1233 S CA 0.633 58.857 58.200 0.041 0.000 1.059 1233 S CB 1.101 64.398 63.200 0.162 0.000 0.901 1233 S HN 0.615 nan 8.310 nan 0.000 0.491 1234 R N 4.654 125.234 120.500 0.134 0.000 2.075 1234 R HA -0.051 4.289 4.340 -0.000 0.000 0.232 1234 R C 1.870 178.254 176.300 0.139 0.000 1.126 1234 R CA 2.276 58.443 56.100 0.113 0.000 0.963 1234 R CB -0.983 29.363 30.300 0.076 0.000 0.858 1234 R HN 0.871 nan 8.270 nan 0.000 0.435 1235 W N 0.662 121.974 121.300 0.020 0.000 2.338 1235 W HA -0.191 4.469 4.660 -0.000 0.000 0.304 1235 W C 1.986 178.514 176.519 0.016 0.000 1.212 1235 W CA 2.614 59.971 57.345 0.021 0.000 1.264 1235 W CB -0.503 28.975 29.460 0.029 0.000 1.142 1235 W HN 0.243 nan 8.180 nan 0.000 0.512 1236 A N -0.089 122.937 122.820 0.344 0.000 1.933 1236 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 1236 A C 1.891 179.373 177.584 -0.170 0.000 1.175 1236 A CA 1.728 53.850 52.037 0.141 0.000 0.628 1236 A CB -1.139 18.051 19.000 0.316 0.000 0.814 1236 A HN 0.429 nan 8.150 nan 0.000 0.444 1237 L N -0.570 120.589 121.223 -0.107 0.000 2.141 1237 L HA -0.085 4.255 4.340 -0.000 0.000 0.209 1237 L C 1.954 178.611 176.870 -0.354 0.000 1.094 1237 L CA 2.083 56.769 54.840 -0.257 0.000 0.763 1237 L CB -0.482 41.501 42.059 -0.126 0.000 0.908 1237 L HN 0.291 nan 8.230 nan 0.000 0.437 1238 E N -0.592 119.391 120.200 -0.362 0.000 2.076 1238 E HA -0.201 4.149 4.350 -0.000 0.000 0.190 1238 E C 2.115 178.418 176.600 -0.496 0.000 0.979 1238 E CA 0.972 57.083 56.400 -0.482 0.000 0.807 1238 E CB -0.224 29.241 29.700 -0.391 0.000 0.761 1238 E HN 0.564 nan 8.360 nan 0.000 0.454 1239 Q N 0.992 120.460 119.800 -0.553 0.000 2.124 1239 Q HA -0.058 4.282 4.340 -0.000 0.000 0.202 1239 Q C 1.902 177.753 176.000 -0.248 0.000 0.977 1239 Q CA 1.796 57.329 55.803 -0.451 0.000 0.850 1239 Q CB -0.346 27.934 28.738 -0.764 0.000 0.901 1239 Q HN 0.202 nan 8.270 nan 0.000 0.429 1240 A N 0.650 123.276 122.820 -0.322 0.000 1.858 1240 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 1240 A C 1.989 179.540 177.584 -0.055 0.000 1.190 1240 A CA 1.849 53.715 52.037 -0.286 0.000 0.617 1240 A CB -0.499 18.031 19.000 -0.784 0.000 0.827 1240 A HN 0.417 nan 8.150 nan 0.000 0.443 1241 K N -1.567 118.719 120.400 -0.190 0.000 2.057 1241 K HA -0.157 4.162 4.320 -0.000 0.000 0.207 1241 K C 1.936 178.461 176.600 -0.125 0.000 1.049 1241 K CA 1.727 57.842 56.287 -0.288 0.000 0.931 1241 K CB -0.425 31.440 32.500 -1.059 0.000 0.714 1241 K HN 0.549 nan 8.250 nan 0.000 0.440 1242 Y N 1.887 122.104 120.300 -0.139 0.000 2.128 1242 Y HA -0.202 4.348 4.550 -0.000 0.000 0.284 1242 Y C 2.155 178.039 175.900 -0.026 0.000 1.154 1242 Y CA 1.068 59.120 58.100 -0.079 0.000 1.149 1242 Y CB -0.615 37.764 38.460 -0.135 0.000 0.976 1242 Y HN 0.128 nan 8.280 nan 0.000 0.505 1243 N N 0.114 118.879 118.700 0.109 0.000 2.120 1243 N HA -0.174 4.566 4.740 -0.000 0.000 0.188 1243 N C 2.074 177.679 175.510 0.158 0.000 1.024 1243 N CA 1.095 54.147 53.050 0.002 0.000 0.852 1243 N CB -0.790 37.589 38.487 -0.179 0.000 1.003 1243 N HN 0.381 nan 8.380 nan 0.000 0.424 1244 L N 0.386 121.746 121.223 0.228 0.000 2.046 1244 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 1244 L C 1.802 178.802 176.870 0.217 0.000 1.077 1244 L CA 1.153 56.131 54.840 0.230 0.000 0.747 1244 L CB -0.082 41.965 42.059 -0.020 0.000 0.896 1244 L HN 0.041 nan 8.230 nan 0.000 0.432 1245 I N 0.127 120.811 120.570 0.190 0.000 2.277 1245 I HA -0.181 3.989 4.170 -0.000 0.000 0.243 1245 I C 2.063 178.259 176.117 0.131 0.000 1.094 1245 I CA 1.112 62.498 61.300 0.143 0.000 1.393 1245 I CB -1.383 36.717 38.000 0.167 0.000 1.078 1245 I HN 0.400 nan 8.210 nan 0.000 0.417 1246 N N 0.648 119.433 118.700 0.141 0.000 2.300 1246 N HA -0.103 4.637 4.740 -0.000 0.000 0.179 1246 N C 1.509 177.077 175.510 0.098 0.000 1.016 1246 N CA 0.914 54.025 53.050 0.102 0.000 0.876 1246 N CB 0.104 38.640 38.487 0.082 0.000 0.979 1246 N HN 0.404 nan 8.380 nan 0.000 0.432 1247 E N -0.598 119.659 120.200 0.095 0.000 2.372 1247 E HA 0.078 4.428 4.350 -0.000 0.000 0.201 1247 E C -0.196 176.437 176.600 0.055 0.000 0.938 1247 E CA 0.015 56.441 56.400 0.043 0.000 0.944 1247 E CB 0.036 29.636 29.700 -0.168 0.000 0.937 1247 E HN 0.280 nan 8.360 nan 0.000 0.495 1248 Y N 0.532 120.899 120.300 0.112 0.000 2.316 1248 Y HA 0.079 4.629 4.550 -0.000 0.000 0.331 1248 Y C 1.173 177.228 175.900 0.259 0.000 1.083 1248 Y CA -0.591 57.658 58.100 0.249 0.000 1.206 1248 Y CB 0.509 39.148 38.460 0.298 0.000 1.195 1248 Y HN -0.116 nan 8.280 nan 0.000 0.497 1249 F N 3.042 123.143 119.950 0.252 0.000 2.075 1249 F HA 0.001 4.528 4.527 -0.000 0.000 0.297 1249 F C -0.054 175.876 175.800 0.216 0.000 1.113 1249 F CA 1.393 59.504 58.000 0.185 0.000 1.218 1249 F CB 0.230 39.313 39.000 0.138 0.000 0.984 1249 F HN 0.371 nan 8.300 nan 0.000 0.472 1250 L N -0.078 121.447 121.223 0.503 0.000 2.592 1250 L HA 0.483 4.823 4.340 -0.000 0.000 0.258 1250 L C -1.832 175.385 176.870 0.579 0.000 0.926 1250 L CA -0.571 54.528 54.840 0.432 0.000 0.885 1250 L CB 1.899 44.205 42.059 0.413 0.000 1.380 1250 L HN -0.292 nan 8.230 nan 0.000 0.415 1251 V N 4.328 124.482 119.914 0.401 0.000 2.376 1251 V HA 0.838 4.958 4.120 -0.000 0.000 0.287 1251 V C 0.599 176.662 176.094 -0.052 0.000 1.015 1251 V CA 0.055 62.462 62.300 0.178 0.000 0.834 1251 V CB 1.231 33.062 31.823 0.014 0.000 1.001 1251 V HN 0.919 nan 8.190 nan 0.000 0.428 1252 G N 3.071 111.480 108.800 -0.652 0.000 2.511 1252 G HA2 0.706 4.665 3.960 -0.000 0.000 0.316 1252 G HA3 0.706 4.665 3.960 -0.000 0.000 0.316 1252 G C -0.463 173.908 174.900 -0.882 0.000 1.210 1252 G CA -0.505 43.930 45.100 -1.110 0.000 0.969 1252 G HN 0.915 nan 8.290 nan 0.000 0.492 1253 V N -2.191 117.211 119.914 -0.854 0.000 2.547 1253 V HA 0.507 4.626 4.120 -0.000 0.000 0.299 1253 V C 1.243 177.120 176.094 -0.362 0.000 1.040 1253 V CA -0.181 61.851 62.300 -0.446 0.000 0.913 1253 V CB 1.012 32.656 31.823 -0.298 0.000 0.992 1253 V HN 0.713 nan 8.190 nan 0.000 0.449 1254 T N 1.803 116.240 114.554 -0.196 0.000 2.620 1254 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 1254 T C 1.386 176.019 174.700 -0.112 0.000 1.044 1254 T CA 2.436 64.449 62.100 -0.145 0.000 1.161 1254 T CB -0.279 68.548 68.868 -0.068 0.000 0.862 1254 T HN 0.872 nan 8.240 nan 0.000 0.438 1255 E N 1.086 121.246 120.200 -0.068 0.000 2.526 1255 E HA -0.015 4.334 4.350 -0.000 0.000 0.198 1255 E C 0.884 177.455 176.600 -0.049 0.000 1.091 1255 E CA 0.498 56.882 56.400 -0.026 0.000 0.880 1255 E CB 0.004 29.711 29.700 0.013 0.000 0.873 1255 E HN 0.601 nan 8.360 nan 0.000 0.527 1256 E N -0.085 120.027 120.200 -0.146 0.000 3.029 1256 E HA 0.042 4.391 4.350 -0.000 0.000 0.196 1256 E C 1.124 177.603 176.600 -0.202 0.000 0.973 1256 E CA -0.217 56.092 56.400 -0.152 0.000 1.242 1256 E CB 0.169 29.729 29.700 -0.233 0.000 1.056 1256 E HN 0.055 nan 8.360 nan 0.000 0.469 1257 L N 1.612 122.721 121.223 -0.191 0.000 2.081 1257 L HA -0.217 4.123 4.340 -0.000 0.000 0.212 1257 L C 2.273 178.996 176.870 -0.245 0.000 1.080 1257 L CA 2.063 56.780 54.840 -0.204 0.000 0.754 1257 L CB -0.116 41.859 42.059 -0.139 0.000 0.893 1257 L HN 0.221 nan 8.230 nan 0.000 0.433 1258 E N -0.847 119.137 120.200 -0.359 0.000 2.017 1258 E HA -0.259 4.091 4.350 -0.000 0.000 0.193 1258 E C 1.779 178.301 176.600 -0.130 0.000 0.997 1258 E CA 1.537 57.664 56.400 -0.455 0.000 0.804 1258 E CB -0.040 29.514 29.700 -0.244 0.000 0.757 1258 E HN 0.505 nan 8.360 nan 0.000 0.448 1259 D N -0.135 120.276 120.400 0.018 0.000 2.158 1259 D HA -0.189 4.451 4.640 -0.000 0.000 0.197 1259 D C 1.583 178.059 176.300 0.293 0.000 0.995 1259 D CA 0.784 54.881 54.000 0.161 0.000 0.846 1259 D CB -0.377 40.600 40.800 0.296 0.000 0.941 1259 D HN 0.195 nan 8.370 nan 0.000 0.456 1260 F N 1.100 121.120 119.950 0.116 0.000 2.102 1260 F HA -0.114 4.413 4.527 -0.000 0.000 0.298 1260 F C 2.115 177.894 175.800 -0.034 0.000 1.105 1260 F CA 1.114 59.169 58.000 0.092 0.000 1.239 1260 F CB -0.316 38.535 39.000 -0.248 0.000 0.991 1260 F HN -0.096 nan 8.300 nan 0.000 0.474 1261 I N -0.126 120.389 120.570 -0.092 0.000 2.226 1261 I HA -0.337 3.833 4.170 -0.000 0.000 0.245 1261 I C 2.663 178.690 176.117 -0.150 0.000 1.100 1261 I CA 1.633 62.821 61.300 -0.188 0.000 1.374 1261 I CB -0.512 37.437 38.000 -0.085 0.000 1.057 1261 I HN 0.297 nan 8.210 nan 0.000 0.413 1262 M N 0.918 120.473 119.600 -0.075 0.000 2.080 1262 M HA -0.249 4.230 4.480 -0.000 0.000 0.260 1262 M C 2.295 178.571 176.300 -0.041 0.000 1.068 1262 M CA 2.020 57.298 55.300 -0.036 0.000 1.109 1262 M CB -0.059 32.527 32.600 -0.023 0.000 1.342 1262 M HN 0.187 nan 8.290 nan 0.000 0.405 1263 L N 0.082 121.268 121.223 -0.062 0.000 2.056 1263 L HA -0.212 4.128 4.340 -0.000 0.000 0.207 1263 L C 2.402 179.237 176.870 -0.058 0.000 1.078 1263 L CA 1.018 55.823 54.840 -0.058 0.000 0.749 1263 L CB -0.701 41.316 42.059 -0.070 0.000 0.901 1263 L HN 0.413 nan 8.230 nan 0.000 0.433 1264 L N -0.238 120.858 121.223 -0.213 0.000 2.141 1264 L HA -0.205 4.135 4.340 -0.000 0.000 0.209 1264 L C 2.478 179.362 176.870 0.024 0.000 1.094 1264 L CA 1.177 55.888 54.840 -0.215 0.000 0.763 1264 L CB -0.427 41.148 42.059 -0.807 0.000 0.908 1264 L HN 0.369 nan 8.230 nan 0.000 0.437 1265 E N 0.293 120.510 120.200 0.028 0.000 2.347 1265 E HA -0.151 4.199 4.350 -0.000 0.000 0.196 1265 E C 2.020 178.696 176.600 0.126 0.000 1.008 1265 E CA 0.887 57.372 56.400 0.143 0.000 0.852 1265 E CB 0.201 29.966 29.700 0.108 0.000 0.783 1265 E HN 0.446 nan 8.360 nan 0.000 0.505 1266 A N 0.525 123.404 122.820 0.097 0.000 1.924 1266 A HA 0.287 4.607 4.320 -0.000 0.000 0.211 1266 A C 2.238 179.908 177.584 0.144 0.000 1.198 1266 A CA 0.844 52.943 52.037 0.103 0.000 0.657 1266 A CB -0.269 18.775 19.000 0.074 0.000 0.852 1266 A HN 0.328 nan 8.150 nan 0.000 0.454 1267 A N -1.042 121.886 122.820 0.181 0.000 2.072 1267 A HA 0.459 4.779 4.320 -0.000 0.000 0.216 1267 A C 0.876 178.620 177.584 0.266 0.000 1.156 1267 A CA 0.617 52.818 52.037 0.272 0.000 0.701 1267 A CB -0.167 19.088 19.000 0.424 0.000 0.816 1267 A HN 0.389 nan 8.150 nan 0.000 0.458 1268 L N 0.094 121.457 121.223 0.233 0.000 2.625 1268 L HA 0.247 4.586 4.340 -0.000 0.000 0.255 1268 L C -1.946 175.086 176.870 0.269 0.000 1.493 1268 L CA -1.178 53.800 54.840 0.230 0.000 0.796 1268 L CB 1.708 43.877 42.059 0.184 0.000 1.064 1268 L HN 0.067 nan 8.230 nan 0.000 0.516 1269 P HA -0.207 nan 4.420 nan 0.000 0.219 1269 P C 1.459 178.802 177.300 0.073 0.000 1.146 1269 P CA 0.990 64.177 63.100 0.145 0.000 0.808 1269 P CB 0.331 32.100 31.700 0.116 0.000 0.779 1270 R N -0.185 120.322 120.500 0.011 0.000 2.127 1270 R HA -0.100 4.240 4.340 -0.000 0.000 0.238 1270 R C 1.936 177.993 176.300 -0.406 0.000 1.134 1270 R CA 1.672 57.665 56.100 -0.179 0.000 0.975 1270 R CB -1.463 28.651 30.300 -0.310 0.000 0.865 1270 R HN 0.162 nan 8.270 nan 0.000 0.447 1271 F N -1.980 117.738 119.950 -0.386 0.000 2.343 1271 F HA 0.198 4.725 4.527 -0.000 0.000 0.286 1271 F C 0.972 176.339 175.800 -0.721 0.000 1.057 1271 F CA 0.553 58.004 58.000 -0.916 0.000 1.365 1271 F CB 0.001 38.226 39.000 -1.292 0.000 1.114 1271 F HN -0.126 nan 8.300 nan 0.000 0.545 1272 F N 0.250 120.279 119.950 0.131 0.000 2.684 1272 F HA 0.280 4.806 4.527 -0.000 0.000 0.298 1272 F C 0.783 176.622 175.800 0.065 0.000 1.120 1272 F CA -0.581 57.465 58.000 0.076 0.000 1.332 1272 F CB -0.400 38.625 39.000 0.041 0.000 0.986 1272 F HN -0.310 nan 8.300 nan 0.000 0.524 1273 R N 0.906 121.503 120.500 0.162 0.000 2.404 1273 R HA 0.378 4.718 4.340 -0.000 0.000 0.315 1273 R C 1.189 177.551 176.300 0.103 0.000 1.032 1273 R CA 1.108 57.279 56.100 0.118 0.000 0.992 1273 R CB -0.164 30.180 30.300 0.073 0.000 0.959 1273 R HN 0.537 nan 8.270 nan 0.000 0.428 1274 G N 2.473 111.335 108.800 0.104 0.000 2.175 1274 G HA2 -0.349 3.610 3.960 -0.000 0.000 0.244 1274 G HA3 -0.349 3.610 3.960 -0.000 0.000 0.244 1274 G C 0.712 175.681 174.900 0.115 0.000 0.982 1274 G CA 0.271 45.425 45.100 0.090 0.000 0.641 1274 G HN 0.773 nan 8.290 nan 0.000 0.527 1275 A N -0.212 122.701 122.820 0.156 0.000 1.930 1275 A HA 0.190 4.510 4.320 -0.000 0.000 0.217 1275 A C 2.434 180.121 177.584 0.172 0.000 1.175 1275 A CA 2.758 54.904 52.037 0.181 0.000 0.627 1275 A CB -0.745 18.412 19.000 0.261 0.000 0.815 1275 A HN 0.765 nan 8.150 nan 0.000 0.443 1276 T N -0.331 114.304 114.554 0.136 0.000 2.674 1276 T HA -0.150 4.200 4.350 -0.000 0.000 0.265 1276 T C 1.930 176.733 174.700 0.172 0.000 1.039 1276 T CA 1.738 63.918 62.100 0.134 0.000 1.150 1276 T CB -0.262 68.656 68.868 0.083 0.000 0.864 1276 T HN 0.574 nan 8.240 nan 0.000 0.427 1277 E N 0.931 121.207 120.200 0.126 0.000 2.085 1277 E HA -0.100 4.249 4.350 -0.000 0.000 0.194 1277 E C 1.975 178.646 176.600 0.118 0.000 0.994 1277 E CA 0.713 57.178 56.400 0.108 0.000 0.801 1277 E CB -0.606 29.140 29.700 0.077 0.000 0.743 1277 E HN 0.314 nan 8.360 nan 0.000 0.453 1278 L N -0.232 121.068 121.223 0.128 0.000 2.046 1278 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 1278 L C 2.191 179.151 176.870 0.150 0.000 1.077 1278 L CA 1.984 56.895 54.840 0.118 0.000 0.747 1278 L CB -0.978 41.150 42.059 0.114 0.000 0.896 1278 L HN 0.321 nan 8.230 nan 0.000 0.432 1279 Y N 0.480 120.829 120.300 0.081 0.000 2.089 1279 Y HA -0.240 4.310 4.550 -0.000 0.000 0.282 1279 Y C 2.652 178.609 175.900 0.095 0.000 1.139 1279 Y CA 1.933 60.090 58.100 0.095 0.000 1.123 1279 Y CB -0.212 38.310 38.460 0.103 0.000 0.980 1279 Y HN 0.108 nan 8.280 nan 0.000 0.493 1280 R N -0.697 119.953 120.500 0.251 0.000 2.200 1280 R HA -0.088 4.252 4.340 -0.000 0.000 0.234 1280 R C 0.617 176.939 176.300 0.038 0.000 1.127 1280 R CA 1.549 57.734 56.100 0.142 0.000 0.989 1280 R CB -0.433 29.969 30.300 0.169 0.000 0.869 1280 R HN 0.494 nan 8.270 nan 0.000 0.459 1281 T N -5.209 109.364 114.554 0.032 0.000 3.884 1281 T HA 0.263 4.613 4.350 -0.000 0.000 0.284 1281 T C 0.544 175.251 174.700 0.012 0.000 0.961 1281 T CA -0.261 61.848 62.100 0.015 0.000 1.071 1281 T CB 1.086 69.972 68.868 0.028 0.000 1.121 1281 T HN 0.123 nan 8.240 nan 0.000 0.496 1282 G N -0.152 108.648 108.800 -0.000 0.000 2.944 1282 G HA2 0.477 4.436 3.960 -0.000 0.000 0.223 1282 G HA3 0.477 4.436 3.960 -0.000 0.000 0.223 1282 G C 1.135 176.043 174.900 0.013 0.000 1.071 1282 G CA 0.515 45.623 45.100 0.014 0.000 0.806 1282 G HN 1.095 nan 8.290 nan 0.000 0.538 1283 K N 0.273 120.672 120.400 -0.001 0.000 3.695 1283 K HA -0.287 4.033 4.320 -0.000 0.000 0.416 1283 K C 1.407 178.032 176.600 0.042 0.000 0.459 1283 K CA 1.944 58.239 56.287 0.013 0.000 1.825 1283 K CB -2.029 30.482 32.500 0.019 0.000 0.891 1283 K HN 0.442 nan 8.250 nan 0.000 0.469 1284 K N 1.450 121.884 120.400 0.056 0.000 2.836 1284 K HA 0.190 4.510 4.320 -0.000 0.000 0.236 1284 K C 1.815 178.466 176.600 0.085 0.000 1.015 1284 K CA 0.536 56.879 56.287 0.094 0.000 1.194 1284 K CB 0.100 32.663 32.500 0.105 0.000 1.002 1284 K HN 0.573 nan 8.250 nan 0.000 0.479 1285 S N 0.098 115.826 115.700 0.046 0.000 2.406 1285 S HA -0.049 4.421 4.470 -0.000 0.000 0.224 1285 S C 0.694 175.312 174.600 0.030 0.000 1.030 1285 S CA 0.368 58.546 58.200 -0.036 0.000 0.958 1285 S CB 0.172 63.225 63.200 -0.246 0.000 0.811 1285 S HN 0.412 nan 8.310 nan 0.000 0.489 1286 H N 1.308 120.378 119.070 -0.000 0.000 2.355 1286 H HA 0.349 4.905 4.556 -0.000 0.000 0.232 1286 H C -0.518 174.856 175.328 0.076 0.000 1.422 1286 H CA -0.438 55.641 56.048 0.051 0.000 1.261 1286 H CB 0.121 29.903 29.762 0.032 0.000 1.595 1286 H HN 0.295 nan 8.280 nan 0.000 0.529 1287 L N 0.309 121.624 121.223 0.153 0.000 2.474 1287 L HA 0.099 4.439 4.340 -0.000 0.000 0.259 1287 L C 1.458 178.395 176.870 0.112 0.000 1.232 1287 L CA -0.115 54.811 54.840 0.144 0.000 0.821 1287 L CB 0.308 42.401 42.059 0.057 0.000 1.108 1287 L HN 0.462 nan 8.230 nan 0.000 0.495 1288 R N 0.769 121.354 120.500 0.142 0.000 3.184 1288 R HA -0.189 4.151 4.340 -0.000 0.000 0.242 1288 R C -0.741 175.653 176.300 0.156 0.000 0.907 1288 R CA 0.450 56.640 56.100 0.150 0.000 0.618 1288 R CB -0.927 29.376 30.300 0.006 0.000 1.016 1288 R HN 0.509 nan 8.270 nan 0.000 0.469 1289 K N 0.470 120.976 120.400 0.176 0.000 2.237 1289 K HA 0.146 4.466 4.320 -0.000 0.000 0.270 1289 K C 0.205 176.919 176.600 0.191 0.000 1.015 1289 K CA -0.229 56.156 56.287 0.163 0.000 0.949 1289 K CB 0.827 33.411 32.500 0.140 0.000 0.976 1289 K HN 0.020 nan 8.250 nan 0.000 0.472 1290 T N 1.941 116.614 114.554 0.198 0.000 2.794 1290 T HA -0.012 4.338 4.350 -0.000 0.000 0.296 1290 T C 1.673 176.462 174.700 0.149 0.000 0.949 1290 T CA -0.347 61.902 62.100 0.248 0.000 1.101 1290 T CB 0.991 70.039 68.868 0.301 0.000 0.905 1290 T HN 0.761 nan 8.240 nan 0.000 0.516 1291 T N 0.848 115.484 114.554 0.137 0.000 2.635 1291 T HA -0.042 4.308 4.350 -0.000 0.000 0.267 1291 T C 0.774 175.414 174.700 -0.100 0.000 1.040 1291 T CA 1.561 63.684 62.100 0.039 0.000 1.156 1291 T CB -0.505 68.398 68.868 0.057 0.000 0.863 1291 T HN 0.794 nan 8.240 nan 0.000 0.430 1292 E N 0.842 120.906 120.200 -0.226 0.000 2.256 1292 E HA 0.703 5.052 4.350 -0.000 0.000 0.268 1292 E C -0.723 175.592 176.600 -0.475 0.000 0.877 1292 E CA -1.137 54.939 56.400 -0.540 0.000 0.757 1292 E CB 1.516 30.476 29.700 -1.234 0.000 1.183 1292 E HN 0.567 nan 8.360 nan 0.000 0.418 1293 K N -0.253 119.879 120.400 -0.446 0.000 2.480 1293 K HA 0.901 5.221 4.320 -0.000 0.000 0.258 1293 K C -0.812 175.439 176.600 -0.581 0.000 0.990 1293 K CA -0.955 54.983 56.287 -0.580 0.000 0.857 1293 K CB 2.250 34.672 32.500 -0.131 0.000 1.384 1293 K HN 0.561 nan 8.250 nan 0.000 0.446 1294 K N 2.071 122.082 120.400 -0.648 0.000 2.668 1294 K HA 0.307 4.627 4.320 -0.000 0.000 0.246 1294 K C -0.326 176.338 176.600 0.106 0.000 0.976 1294 K CA -0.618 55.559 56.287 -0.184 0.000 0.902 1294 K CB 0.216 32.655 32.500 -0.103 0.000 1.172 1294 K HN 0.598 nan 8.250 nan 0.000 0.452 1295 L N 2.845 124.102 121.223 0.055 0.000 2.628 1295 L HA 0.036 4.376 4.340 -0.000 0.000 0.292 1295 L C -1.806 175.129 176.870 0.108 0.000 1.250 1295 L CA -1.108 53.775 54.840 0.072 0.000 0.892 1295 L CB 0.198 42.277 42.059 0.033 0.000 1.138 1295 L HN 0.516 nan 8.230 nan 0.000 0.502 1296 P HA 0.085 nan 4.420 nan 0.000 0.273 1296 P C -0.447 176.900 177.300 0.079 0.000 1.250 1296 P CA -0.307 62.865 63.100 0.120 0.000 0.793 1296 P CB 0.474 32.211 31.700 0.062 0.000 1.011 1297 T N 0.731 115.333 114.554 0.081 0.000 2.889 1297 T HA 0.265 4.615 4.350 -0.000 0.000 0.291 1297 T C 1.481 176.190 174.700 0.016 0.000 0.995 1297 T CA 0.079 62.204 62.100 0.042 0.000 1.092 1297 T CB 0.970 69.859 68.868 0.035 0.000 0.954 1297 T HN 0.367 nan 8.240 nan 0.000 0.506 1298 A N 2.661 125.484 122.820 0.004 0.000 1.986 1298 A HA -0.047 4.272 4.320 -0.000 0.000 0.220 1298 A C 2.353 179.922 177.584 -0.026 0.000 1.171 1298 A CA 1.947 53.976 52.037 -0.013 0.000 0.640 1298 A CB -0.782 18.213 19.000 -0.009 0.000 0.811 1298 A HN 0.907 nan 8.150 nan 0.000 0.451 1299 A N -1.946 120.864 122.820 -0.017 0.000 1.984 1299 A HA 0.094 4.414 4.320 -0.000 0.000 0.214 1299 A C 2.202 179.767 177.584 -0.032 0.000 1.173 1299 A CA 1.736 53.758 52.037 -0.026 0.000 0.673 1299 A CB -0.777 18.213 19.000 -0.017 0.000 0.830 1299 A HN 0.375 nan 8.150 nan 0.000 0.453 1300 T N 0.382 114.930 114.554 -0.011 0.000 2.821 1300 T HA -0.030 4.319 4.350 -0.000 0.000 0.267 1300 T C 1.745 176.438 174.700 -0.012 0.000 1.046 1300 T CA 1.400 63.501 62.100 0.001 0.000 1.139 1300 T CB -0.327 68.578 68.868 0.060 0.000 0.871 1300 T HN 0.411 nan 8.240 nan 0.000 0.454 1301 I N 1.180 121.728 120.570 -0.036 0.000 2.193 1301 I HA -0.090 4.080 4.170 -0.000 0.000 0.240 1301 I C 2.905 178.899 176.117 -0.204 0.000 1.084 1301 I CA 0.962 62.196 61.300 -0.110 0.000 1.365 1301 I CB -0.494 37.443 38.000 -0.106 0.000 1.064 1301 I HN 0.144 nan 8.210 nan 0.000 0.410 1302 A N 0.570 123.294 122.820 -0.159 0.000 2.084 1302 A HA -0.290 4.030 4.320 -0.000 0.000 0.221 1302 A C 2.345 179.829 177.584 -0.167 0.000 1.161 1302 A CA 2.008 53.940 52.037 -0.174 0.000 0.653 1302 A CB -0.600 18.338 19.000 -0.104 0.000 0.802 1302 A HN 0.415 nan 8.150 nan 0.000 0.457 1303 K N -0.491 119.833 120.400 -0.127 0.000 2.076 1303 K HA 0.071 4.391 4.320 -0.000 0.000 0.204 1303 K C 1.822 178.355 176.600 -0.112 0.000 1.051 1303 K CA 0.861 57.090 56.287 -0.096 0.000 0.949 1303 K CB -0.235 32.226 32.500 -0.066 0.000 0.726 1303 K HN 0.463 nan 8.250 nan 0.000 0.443 1304 L N 1.108 122.245 121.223 -0.143 0.000 2.083 1304 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 1304 L C 1.970 178.680 176.870 -0.266 0.000 1.083 1304 L CA 1.209 55.969 54.840 -0.133 0.000 0.752 1304 L CB -0.221 41.775 42.059 -0.105 0.000 0.899 1304 L HN 0.268 nan 8.230 nan 0.000 0.433 1305 Q N -0.351 119.108 119.800 -0.569 0.000 2.491 1305 Q HA -0.135 4.205 4.340 -0.000 0.000 0.214 1305 Q C 1.424 177.303 176.000 -0.202 0.000 0.970 1305 Q CA 0.388 55.674 55.803 -0.862 0.000 0.960 1305 Q CB 0.063 28.090 28.738 -1.185 0.000 0.996 1305 Q HN 0.594 nan 8.270 nan 0.000 0.524 1306 Q N -0.601 119.159 119.800 -0.066 0.000 2.352 1306 Q HA 0.105 4.445 4.340 -0.000 0.000 0.212 1306 Q C 0.367 176.424 176.000 0.094 0.000 0.888 1306 Q CA -0.151 55.666 55.803 0.024 0.000 0.934 1306 Q CB 0.876 29.609 28.738 -0.008 0.000 1.093 1306 Q HN 0.051 nan 8.270 nan 0.000 0.523 1307 S N 0.686 116.466 115.700 0.135 0.000 2.548 1307 S HA 0.009 4.479 4.470 -0.000 0.000 0.277 1307 S C 1.066 175.796 174.600 0.216 0.000 1.315 1307 S CA -0.407 57.890 58.200 0.162 0.000 1.050 1307 S CB 0.819 64.124 63.200 0.175 0.000 0.918 1307 S HN 0.116 nan 8.310 nan 0.000 0.497 1308 E N 3.504 123.784 120.200 0.133 0.000 2.110 1308 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 1308 E C 1.915 178.590 176.600 0.124 0.000 0.988 1308 E CA 0.972 57.437 56.400 0.108 0.000 0.804 1308 E CB -0.169 29.558 29.700 0.045 0.000 0.745 1308 E HN 0.681 nan 8.360 nan 0.000 0.458 1309 I N -0.279 120.370 120.570 0.132 0.000 2.226 1309 I HA -0.242 3.927 4.170 -0.000 0.000 0.245 1309 I C 2.305 178.554 176.117 0.219 0.000 1.100 1309 I CA 0.860 62.268 61.300 0.179 0.000 1.374 1309 I CB -1.334 36.766 38.000 0.166 0.000 1.057 1309 I HN 0.257 nan 8.210 nan 0.000 0.413 1310 W N 2.654 124.013 121.300 0.099 0.000 2.354 1310 W HA -0.211 4.448 4.660 -0.000 0.000 0.315 1310 W C 2.593 179.162 176.519 0.083 0.000 1.206 1310 W CA 1.771 59.168 57.345 0.086 0.000 1.290 1310 W CB -0.288 29.210 29.460 0.062 0.000 1.152 1310 W HN -0.015 nan 8.180 nan 0.000 0.489 1311 K N -0.306 120.090 120.400 -0.007 0.000 2.059 1311 K HA -0.270 4.050 4.320 -0.000 0.000 0.212 1311 K C 2.136 178.552 176.600 -0.306 0.000 1.050 1311 K CA 2.453 58.581 56.287 -0.264 0.000 0.927 1311 K CB -0.623 31.913 32.500 0.060 0.000 0.714 1311 K HN 0.297 nan 8.250 nan 0.000 0.447 1312 M N 0.673 120.209 119.600 -0.106 0.000 2.059 1312 M HA -0.161 4.319 4.480 -0.000 0.000 0.259 1312 M C 2.075 178.309 176.300 -0.111 0.000 1.072 1312 M CA 1.468 56.741 55.300 -0.044 0.000 1.117 1312 M CB -0.350 32.336 32.600 0.144 0.000 1.320 1312 M HN 0.062 nan 8.290 nan 0.000 0.408 1313 E N 0.433 120.568 120.200 -0.109 0.000 2.219 1313 E HA -0.207 4.143 4.350 -0.000 0.000 0.198 1313 E C 1.491 177.978 176.600 -0.188 0.000 0.998 1313 E CA 1.284 57.604 56.400 -0.134 0.000 0.818 1313 E CB -0.571 29.075 29.700 -0.090 0.000 0.741 1313 E HN 0.500 nan 8.360 nan 0.000 0.477 1314 N N 0.991 119.408 118.700 -0.471 0.000 2.250 1314 N HA -0.140 4.600 4.740 -0.000 0.000 0.181 1314 N C 1.750 177.120 175.510 -0.235 0.000 1.017 1314 N CA 1.107 53.846 53.050 -0.517 0.000 0.866 1314 N CB 0.077 37.809 38.487 -1.257 0.000 0.985 1314 N HN 0.136 nan 8.380 nan 0.000 0.429 1315 E N -0.997 119.070 120.200 -0.221 0.000 2.077 1315 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 1315 E C 1.556 178.129 176.600 -0.045 0.000 0.989 1315 E CA 0.885 57.215 56.400 -0.116 0.000 0.800 1315 E CB -0.245 29.388 29.700 -0.112 0.000 0.746 1315 E HN 0.414 nan 8.360 nan 0.000 0.452 1316 F N 0.486 120.318 119.950 -0.197 0.000 2.075 1316 F HA -0.240 4.287 4.527 -0.000 0.000 0.297 1316 F C 2.156 177.881 175.800 -0.126 0.000 1.113 1316 F CA 1.781 59.659 58.000 -0.204 0.000 1.218 1316 F CB -0.853 37.980 39.000 -0.278 0.000 0.984 1316 F HN 0.136 nan 8.300 nan 0.000 0.472 1317 Y N 1.546 121.701 120.300 -0.242 0.000 2.165 1317 Y HA -0.240 4.310 4.550 -0.000 0.000 0.286 1317 Y C 2.377 178.108 175.900 -0.282 0.000 1.155 1317 Y CA 2.234 60.148 58.100 -0.310 0.000 1.164 1317 Y CB -0.549 37.803 38.460 -0.179 0.000 0.978 1317 Y HN 0.150 nan 8.280 nan 0.000 0.513 1318 E N -0.621 119.456 120.200 -0.204 0.000 2.077 1318 E HA -0.239 4.110 4.350 -0.000 0.000 0.193 1318 E C 2.153 178.598 176.600 -0.259 0.000 0.989 1318 E CA 1.389 57.660 56.400 -0.214 0.000 0.800 1318 E CB -0.934 28.722 29.700 -0.074 0.000 0.746 1318 E HN 0.551 nan 8.360 nan 0.000 0.452 1319 F N 1.872 121.588 119.950 -0.390 0.000 2.095 1319 F HA -0.218 4.309 4.527 -0.000 0.000 0.298 1319 F C 2.363 177.876 175.800 -0.479 0.000 1.104 1319 F CA 1.705 59.466 58.000 -0.399 0.000 1.232 1319 F CB -0.392 38.360 39.000 -0.413 0.000 0.987 1319 F HN -0.022 nan 8.300 nan 0.000 0.475 1320 A N 0.014 122.480 122.820 -0.590 0.000 1.902 1320 A HA -0.146 4.173 4.320 -0.000 0.000 0.217 1320 A C 2.101 179.368 177.584 -0.528 0.000 1.181 1320 A CA 1.664 53.303 52.037 -0.664 0.000 0.623 1320 A CB -1.235 17.261 19.000 -0.841 0.000 0.818 1320 A HN 0.498 nan 8.150 nan 0.000 0.443 1321 L N 0.051 120.912 121.223 -0.604 0.000 2.056 1321 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 1321 L C 2.285 179.014 176.870 -0.235 0.000 1.078 1321 L CA 2.642 57.209 54.840 -0.455 0.000 0.749 1321 L CB -0.604 41.102 42.059 -0.587 0.000 0.901 1321 L HN 0.600 nan 8.230 nan 0.000 0.433 1322 E N -1.048 118.985 120.200 -0.278 0.000 2.085 1322 E HA -0.332 4.018 4.350 -0.000 0.000 0.194 1322 E C 2.168 178.652 176.600 -0.194 0.000 0.994 1322 E CA 1.347 57.625 56.400 -0.203 0.000 0.801 1322 E CB -0.116 29.438 29.700 -0.243 0.000 0.743 1322 E HN 0.568 nan 8.360 nan 0.000 0.453 1323 Q N -0.045 119.547 119.800 -0.346 0.000 2.124 1323 Q HA -0.184 4.156 4.340 -0.000 0.000 0.202 1323 Q C 1.749 177.702 176.000 -0.079 0.000 0.977 1323 Q CA 1.659 57.281 55.803 -0.303 0.000 0.850 1323 Q CB -0.504 27.942 28.738 -0.487 0.000 0.901 1323 Q HN 0.417 nan 8.270 nan 0.000 0.429 1324 F N 0.426 120.267 119.950 -0.182 0.000 2.163 1324 F HA -0.071 4.456 4.527 -0.000 0.000 0.297 1324 F C 1.954 177.730 175.800 -0.041 0.000 1.094 1324 F CA 1.547 59.489 58.000 -0.098 0.000 1.290 1324 F CB -0.137 38.780 39.000 -0.139 0.000 1.017 1324 F HN 0.135 nan 8.300 nan 0.000 0.483 1325 Q N -0.733 119.080 119.800 0.021 0.000 2.124 1325 Q HA -0.226 4.114 4.340 -0.000 0.000 0.202 1325 Q C 2.151 178.115 176.000 -0.061 0.000 0.977 1325 Q CA 1.997 57.783 55.803 -0.028 0.000 0.850 1325 Q CB -0.592 28.166 28.738 0.032 0.000 0.901 1325 Q HN 0.549 nan 8.270 nan 0.000 0.429 1326 F N 0.765 120.627 119.950 -0.148 0.000 2.113 1326 F HA -0.202 4.325 4.527 -0.000 0.000 0.297 1326 F C 2.013 177.774 175.800 -0.065 0.000 1.103 1326 F CA 1.080 59.038 58.000 -0.069 0.000 1.248 1326 F CB -0.167 38.766 39.000 -0.112 0.000 0.999 1326 F HN -0.209 nan 8.300 nan 0.000 0.475 1327 V N 1.128 121.011 119.914 -0.051 0.000 2.343 1327 V HA -0.309 3.811 4.120 -0.000 0.000 0.247 1327 V C 2.577 178.488 176.094 -0.304 0.000 1.051 1327 V CA 2.319 64.504 62.300 -0.192 0.000 1.036 1327 V CB -0.861 30.837 31.823 -0.208 0.000 0.654 1327 V HN 0.340 nan 8.190 nan 0.000 0.451 1328 R N 0.256 120.490 120.500 -0.443 0.000 2.081 1328 R HA -0.155 4.184 4.340 -0.000 0.000 0.235 1328 R C 2.310 178.456 176.300 -0.256 0.000 1.131 1328 R CA 1.670 57.535 56.100 -0.392 0.000 0.960 1328 R CB -0.465 29.550 30.300 -0.474 0.000 0.856 1328 R HN 0.476 nan 8.270 nan 0.000 0.436 1329 A N 0.378 123.043 122.820 -0.258 0.000 1.902 1329 A HA -0.167 4.152 4.320 -0.000 0.000 0.217 1329 A C 1.660 179.022 177.584 -0.369 0.000 1.181 1329 A CA 1.392 53.259 52.037 -0.283 0.000 0.623 1329 A CB -0.724 18.098 19.000 -0.296 0.000 0.818 1329 A HN 0.494 nan 8.150 nan 0.000 0.443 1330 H N -1.297 117.527 119.070 -0.410 0.000 2.547 1330 H HA 0.314 4.870 4.556 -0.000 0.000 0.266 1330 H C 1.813 177.008 175.328 -0.222 0.000 0.988 1330 H CA 0.736 56.570 56.048 -0.355 0.000 1.147 1330 H CB 0.211 29.661 29.762 -0.520 0.000 1.365 1330 H HN 0.573 nan 8.280 nan 0.000 0.589 1331 A N 0.784 123.532 122.820 -0.120 0.000 2.108 1331 A HA 0.209 4.529 4.320 -0.000 0.000 0.206 1331 A C 1.075 178.623 177.584 -0.061 0.000 1.212 1331 A CA 0.362 52.350 52.037 -0.082 0.000 0.843 1331 A CB 0.407 19.343 19.000 -0.107 0.000 0.902 1331 A HN 0.122 nan 8.150 nan 0.000 0.477 1332 V N -1.777 118.087 119.914 -0.082 0.000 3.158 1332 V HA 0.852 4.972 4.120 -0.000 0.000 0.311 1332 V C -0.967 175.107 176.094 -0.033 0.000 1.181 1332 V CA -1.204 61.071 62.300 -0.041 0.000 1.054 1332 V CB 1.708 33.502 31.823 -0.050 0.000 1.085 1332 V HN 0.607 nan 8.190 nan 0.000 0.446 1333 R N 0.518 121.034 120.500 0.026 0.000 2.744 1333 R HA 0.734 5.074 4.340 -0.000 0.000 0.279 1333 R C -0.896 175.463 176.300 0.098 0.000 0.977 1333 R CA -0.637 55.489 56.100 0.042 0.000 0.906 1333 R CB 2.543 32.877 30.300 0.057 0.000 1.197 1333 R HN 0.905 nan 8.270 nan 0.000 0.463 1334 E N 1.087 121.329 120.200 0.071 0.000 2.204 1334 E HA 0.491 4.840 4.350 -0.000 0.000 0.276 1334 E C -1.331 175.352 176.600 0.139 0.000 0.974 1334 E CA -0.674 55.780 56.400 0.090 0.000 0.815 1334 E CB 1.548 31.267 29.700 0.032 0.000 1.119 1334 E HN 0.698 nan 8.360 nan 0.000 0.393 1335 K N 3.163 123.685 120.400 0.204 0.000 2.695 1335 K HA 0.220 4.539 4.320 -0.000 0.000 0.255 1335 K C -0.610 176.095 176.600 0.175 0.000 1.016 1335 K CA -0.163 56.238 56.287 0.190 0.000 0.928 1335 K CB 0.602 33.229 32.500 0.213 0.000 1.235 1335 K HN 0.701 nan 8.250 nan 0.000 0.467 1336 D N 1.660 122.118 120.400 0.097 0.000 2.746 1336 D HA -0.196 4.444 4.640 -0.000 0.000 0.236 1336 D C 1.064 177.402 176.300 0.063 0.000 1.129 1336 D CA 2.387 56.432 54.000 0.076 0.000 0.691 1336 D CB -1.209 39.643 40.800 0.086 0.000 1.077 1336 D HN 2.047 nan 8.370 nan 0.000 0.432 1337 G N -0.579 108.250 108.800 0.048 0.000 2.212 1337 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.266 1337 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.266 1337 G C 0.154 175.055 174.900 0.002 0.000 0.978 1337 G CA 0.730 45.846 45.100 0.026 0.000 0.632 1337 G HN 0.416 nan 8.290 nan 0.000 0.537 1338 E N 0.187 120.390 120.200 0.004 0.000 2.266 1338 E HA 0.584 4.934 4.350 -0.000 0.000 0.277 1338 E C 0.558 177.004 176.600 -0.256 0.000 1.018 1338 E CA -0.481 55.839 56.400 -0.134 0.000 0.840 1338 E CB 1.334 30.956 29.700 -0.130 0.000 1.082 1338 E HN 0.389 nan 8.360 nan 0.000 0.395 1339 L N 3.067 124.060 121.223 -0.384 0.000 2.307 1339 L HA 0.392 4.732 4.340 -0.000 0.000 0.282 1339 L C -0.675 175.843 176.870 -0.587 0.000 1.051 1339 L CA -0.709 53.944 54.840 -0.312 0.000 0.804 1339 L CB 0.423 42.387 42.059 -0.159 0.000 1.197 1339 L HN 0.424 nan 8.230 nan 0.000 0.431 1340 Y N 2.135 122.433 120.300 -0.002 0.000 2.462 1340 Y HA 0.420 4.969 4.550 -0.000 0.000 0.346 1340 Y C -0.132 175.764 175.900 -0.007 0.000 0.976 1340 Y CA -0.855 57.245 58.100 0.001 0.000 1.044 1340 Y CB 1.893 40.354 38.460 0.002 0.000 1.230 1340 Y HN 0.309 nan 8.280 nan 0.000 0.455 1341 I N 3.811 124.464 120.570 0.139 0.000 2.436 1341 I HA 0.060 4.230 4.170 -0.000 0.000 0.289 1341 I C -0.150 176.015 176.117 0.080 0.000 1.083 1341 I CA 0.280 61.626 61.300 0.078 0.000 1.372 1341 I CB -0.097 37.942 38.000 0.065 0.000 1.408 1341 I HN 0.355 nan 8.210 nan 0.000 0.516 1342 L N 6.175 127.429 121.223 0.052 0.000 2.559 1342 L HA 0.121 4.461 4.340 -0.000 0.000 0.282 1342 L C 1.017 177.915 176.870 0.048 0.000 1.232 1342 L CA -0.094 54.772 54.840 0.043 0.000 0.885 1342 L CB -0.016 42.057 42.059 0.025 0.000 1.131 1342 L HN 0.753 nan 8.230 nan 0.000 0.498 1343 A N 3.436 126.279 122.820 0.038 0.000 2.346 1343 A HA 0.155 4.475 4.320 -0.000 0.000 0.252 1343 A C 0.121 177.730 177.584 0.042 0.000 1.089 1343 A CA -0.336 51.720 52.037 0.031 0.000 0.797 1343 A CB 0.244 19.250 19.000 0.009 0.000 1.047 1343 A HN 0.774 nan 8.150 nan 0.000 0.494 1344 Q N 0.221 120.036 119.800 0.026 0.000 2.283 1344 Q HA -0.048 4.292 4.340 -0.000 0.000 0.301 1344 Q C -0.530 175.495 176.000 0.042 0.000 1.063 1344 Q CA 0.476 56.296 55.803 0.028 0.000 0.952 1344 Q CB 0.166 28.841 28.738 -0.105 0.000 1.166 1344 Q HN 0.665 nan 8.270 nan 0.000 0.381 1345 N N 4.992 123.785 118.700 0.156 0.000 2.538 1345 N HA 0.219 4.959 4.740 -0.000 0.000 0.291 1345 N C -1.502 174.181 175.510 0.290 0.000 1.323 1345 N CA 0.087 53.243 53.050 0.178 0.000 0.934 1345 N CB 0.144 38.723 38.487 0.154 0.000 1.255 1345 N HN 0.461 nan 8.380 nan 0.000 0.509 1346 F N -0.597 119.406 119.950 0.088 0.000 2.725 1346 F HA 0.660 5.187 4.527 -0.000 0.000 0.309 1346 F C -1.782 174.037 175.800 0.031 0.000 1.132 1346 F CA -1.557 56.440 58.000 -0.005 0.000 0.957 1346 F CB 0.736 39.660 39.000 -0.127 0.000 1.286 1346 F HN -0.122 nan 8.300 nan 0.000 0.440 1347 F N -0.398 119.372 119.950 -0.300 0.000 2.779 1347 F HA 0.797 5.323 4.527 -0.000 0.000 0.316 1347 F C -2.366 173.185 175.800 -0.415 0.000 1.164 1347 F CA -1.989 55.738 58.000 -0.455 0.000 0.924 1347 F CB 1.139 40.030 39.000 -0.182 0.000 1.348 1347 F HN 0.496 nan 8.300 nan 0.000 0.467 1348 Y N 0.766 121.157 120.300 0.152 0.000 2.341 1348 Y HA 0.577 5.127 4.550 -0.000 0.000 0.337 1348 Y C -0.126 175.853 175.900 0.132 0.000 1.014 1348 Y CA -0.822 57.315 58.100 0.062 0.000 1.111 1348 Y CB 1.518 40.059 38.460 0.136 0.000 1.194 1348 Y HN 0.706 nan 8.280 nan 0.000 0.462 1349 E N 0.615 120.895 120.200 0.134 0.000 2.423 1349 E HA 0.427 4.777 4.350 -0.000 0.000 0.269 1349 E C -0.894 175.741 176.600 0.059 0.000 0.948 1349 E CA -1.569 54.930 56.400 0.165 0.000 0.802 1349 E CB 1.812 31.609 29.700 0.161 0.000 1.339 1349 E HN 0.475 nan 8.360 nan 0.000 0.445 1350 K N 0.759 121.166 120.400 0.012 0.000 3.148 1350 K HA -0.162 4.158 4.320 -0.000 0.000 0.267 1350 K C -0.974 175.509 176.600 -0.196 0.000 0.996 1350 K CA 0.170 56.264 56.287 -0.321 0.000 0.737 1350 K CB -1.382 30.856 32.500 -0.437 0.000 1.308 1350 K HN 0.566 nan 8.250 nan 0.000 0.470 1351 I N 1.716 122.344 120.570 0.096 0.000 2.471 1351 I HA 0.110 4.280 4.170 -0.000 0.000 0.286 1351 I C 0.056 176.376 176.117 0.339 0.000 1.079 1351 I CA -0.297 61.103 61.300 0.166 0.000 1.398 1351 I CB 0.379 38.478 38.000 0.165 0.000 1.403 1351 I HN 0.125 nan 8.210 nan 0.000 0.530 1352 Y N 8.279 128.655 120.300 0.126 0.000 2.470 1352 Y HA 0.530 5.080 4.550 -0.000 0.000 0.341 1352 Y C -2.123 173.836 175.900 0.098 0.000 1.021 1352 Y CA -1.703 56.511 58.100 0.191 0.000 1.025 1352 Y CB 1.412 40.032 38.460 0.267 0.000 1.266 1352 Y HN 0.451 nan 8.280 nan 0.000 0.448 1353 P HA 0.478 nan 4.420 nan 0.000 0.282 1353 P C -1.034 176.105 177.300 -0.269 0.000 1.287 1353 P CA -0.545 61.983 63.100 -0.952 0.000 0.792 1353 P CB 0.730 31.880 31.700 -0.916 0.000 1.163 1354 K N 0.000 120.300 120.400 -0.167 0.000 2.780 1354 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1354 K CA 0.000 56.267 56.287 -0.034 0.000 0.838 1354 K CB 0.000 32.511 32.500 0.018 0.000 1.064 1354 K HN 0.000 nan 8.250 nan 0.000 0.543