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 1h72_1_C DATA FIRST_RESID 5 DATA SEQUENCE MKVRVKAPCT SANLGVGFDV FGLCLKEPYD VIEVEAIDDK EIIIEVDDKN DATA SEQUENCE IPTDPDKNVA GIVAKKMIDD FNIGKGVKIT IKKGVKAGSG LGSSAASSAG DATA SEQUENCE TAYAINELFK LNLDKLKLVD YASYGELASS GAKHADNVAP AIFGGFTMVT DATA SEQUENCE NYEPLEVLHI PIDFKLDILI AIPNISINTK EAREILPKAV GLKDLVNNVG DATA SEQUENCE KACGMVYALY NKDKSLFGRY MMSDKVIEPV RGKLIPNYFK IKEEVKDKVY DATA SEQUENCE GITISGSGPS IIAFPKEEFI DEVENILRDY YENTIRTEVG KGVEVV 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.232 176.300 -0.113 0.000 1.140 5 M CA 0.000 55.244 55.300 -0.093 0.000 0.988 5 M CB 0.000 32.561 32.600 -0.065 0.000 1.302 6 K N 0.035 120.371 120.400 -0.108 0.000 2.532 6 K HA 0.795 5.115 4.320 -0.000 0.000 0.265 6 K C -1.762 174.782 176.600 -0.095 0.000 0.948 6 K CA -0.849 55.381 56.287 -0.096 0.000 0.842 6 K CB 3.409 35.874 32.500 -0.058 0.000 1.392 6 K HN 0.102 nan 8.250 nan 0.000 0.436 7 V N 1.564 121.428 119.914 -0.083 0.000 2.686 7 V HA 0.493 4.612 4.120 -0.000 0.000 0.306 7 V C -1.046 175.029 176.094 -0.031 0.000 1.065 7 V CA -0.811 61.455 62.300 -0.057 0.000 0.894 7 V CB 1.977 33.762 31.823 -0.064 0.000 1.004 7 V HN 0.678 nan 8.190 nan 0.000 0.424 8 R N 3.257 123.742 120.500 -0.025 0.000 2.599 8 R HA 0.892 5.232 4.340 -0.000 0.000 0.295 8 R C -1.294 174.977 176.300 -0.047 0.000 0.963 8 R CA -0.403 55.680 56.100 -0.028 0.000 0.883 8 R CB 2.109 32.392 30.300 -0.028 0.000 1.171 8 R HN 0.700 nan 8.270 nan 0.000 0.450 9 V N 0.204 120.076 119.914 -0.070 0.000 3.130 9 V HA 0.636 4.755 4.120 -0.000 0.000 0.310 9 V C -1.359 174.627 176.094 -0.179 0.000 1.158 9 V CA -1.179 61.029 62.300 -0.153 0.000 1.029 9 V CB 2.019 33.714 31.823 -0.213 0.000 1.057 9 V HN 0.874 nan 8.190 nan 0.000 0.436 10 K N 2.015 122.237 120.400 -0.297 0.000 2.235 10 K HA 0.897 5.217 4.320 -0.000 0.000 0.266 10 K C -0.555 175.851 176.600 -0.323 0.000 0.980 10 K CA -0.328 55.719 56.287 -0.399 0.000 0.849 10 K CB 2.032 33.984 32.500 -0.912 0.000 1.098 10 K HN 1.270 nan 8.250 nan 0.000 0.445 11 A N 4.598 127.329 122.820 -0.148 0.000 2.311 11 A HA 0.465 4.785 4.320 -0.000 0.000 0.306 11 A C -2.549 175.047 177.584 0.020 0.000 1.189 11 A CA -1.841 50.139 52.037 -0.094 0.000 0.791 11 A CB 0.743 19.714 19.000 -0.049 0.000 1.172 11 A HN 0.671 nan 8.150 nan 0.000 0.481 12 P HA 0.277 nan 4.420 nan 0.000 0.277 12 P C 0.008 177.357 177.300 0.082 0.000 1.240 12 P CA -0.261 62.896 63.100 0.095 0.000 0.798 12 P CB 0.855 32.593 31.700 0.064 0.000 0.979 13 C N 1.922 121.280 119.300 0.096 0.000 2.705 13 C HA 0.459 4.919 4.460 -0.000 0.000 0.382 13 C C 1.099 176.132 174.990 0.071 0.000 1.322 13 C CA 0.610 59.669 59.018 0.069 0.000 2.290 13 C CB -0.319 27.452 27.740 0.053 0.000 2.650 13 C HN 0.744 nan 8.230 nan 0.000 0.695 14 T N -0.858 113.737 114.554 0.069 0.000 2.868 14 T HA 0.512 4.862 4.350 -0.000 0.000 0.306 14 T C -0.913 173.839 174.700 0.086 0.000 1.224 14 T CA -0.530 61.619 62.100 0.082 0.000 1.012 14 T CB 1.567 70.482 68.868 0.079 0.000 1.221 14 T HN 0.609 nan 8.240 nan 0.000 0.499 15 S N 0.443 116.211 115.700 0.112 0.000 2.566 15 S HA 0.711 5.180 4.470 -0.000 0.000 0.324 15 S C 0.057 174.744 174.600 0.145 0.000 1.081 15 S CA -0.457 57.815 58.200 0.120 0.000 1.105 15 S CB -0.178 63.108 63.200 0.142 0.000 0.981 15 S HN 1.134 nan 8.310 nan 0.000 0.464 16 A N 4.505 127.396 122.820 0.119 0.000 2.252 16 A HA 0.756 5.076 4.320 -0.000 0.000 0.305 16 A C 0.943 178.609 177.584 0.137 0.000 1.097 16 A CA -0.296 51.812 52.037 0.119 0.000 0.849 16 A CB 0.136 19.187 19.000 0.086 0.000 1.142 16 A HN 1.009 nan 8.150 nan 0.000 0.499 17 N N -1.337 117.444 118.700 0.135 0.000 2.157 17 N HA -0.217 4.522 4.740 -0.000 0.000 0.216 17 N C 0.344 175.991 175.510 0.228 0.000 0.367 17 N CA 1.776 54.914 53.050 0.146 0.000 4.226 17 N CB -1.489 37.105 38.487 0.179 0.000 0.776 17 N HN 1.225 nan 8.380 nan 0.000 0.227 18 L N 1.245 122.629 121.223 0.267 0.000 3.762 18 L HA -0.212 4.128 4.340 -0.000 0.000 0.460 18 L C 1.435 178.447 176.870 0.236 0.000 1.255 18 L CA 0.944 55.980 54.840 0.327 0.000 0.783 18 L CB -2.243 40.130 42.059 0.523 0.000 1.600 18 L HN 0.920 nan 8.230 nan 0.000 0.862 19 G N -0.286 108.615 108.800 0.169 0.000 2.687 19 G HA2 -0.431 3.529 3.960 -0.000 0.000 0.303 19 G HA3 -0.431 3.529 3.960 -0.000 0.000 0.303 19 G C 0.647 175.590 174.900 0.071 0.000 1.209 19 G CA 1.035 46.206 45.100 0.118 0.000 0.968 19 G HN 1.052 nan 8.290 nan 0.000 0.549 20 V N 0.055 119.987 119.914 0.030 0.000 3.305 20 V HA 0.460 4.579 4.120 -0.000 0.000 0.269 20 V C 2.195 178.160 176.094 -0.214 0.000 1.157 20 V CA 2.197 64.469 62.300 -0.046 0.000 1.157 20 V CB -0.511 31.289 31.823 -0.037 0.000 0.772 20 V HN 1.805 nan 8.190 nan 0.000 0.498 21 G N -0.312 108.267 108.800 -0.369 0.000 3.383 21 G HA2 0.120 4.080 3.960 -0.000 0.000 0.251 21 G HA3 0.120 4.080 3.960 -0.000 0.000 0.251 21 G C 0.180 174.875 174.900 -0.341 0.000 1.203 21 G CA -0.503 44.011 45.100 -0.978 0.000 0.852 21 G HN 0.489 nan 8.290 nan 0.000 0.531 22 F N 1.574 121.392 119.950 -0.221 0.000 2.548 22 F HA 0.071 4.598 4.527 -0.000 0.000 0.403 22 F C 0.776 176.523 175.800 -0.088 0.000 1.004 22 F CA 0.538 58.473 58.000 -0.110 0.000 1.177 22 F CB 0.439 39.387 39.000 -0.086 0.000 0.974 22 F HN 0.281 nan 8.300 nan 0.000 0.541 23 D N 2.671 122.588 120.400 -0.804 0.000 3.046 23 D HA -0.204 4.436 4.640 -0.000 0.000 0.210 23 D C 0.664 176.840 176.300 -0.208 0.000 1.124 23 D CA 1.250 54.876 54.000 -0.624 0.000 0.986 23 D CB -1.299 39.008 40.800 -0.821 0.000 1.118 23 D HN 0.351 nan 8.370 nan 0.000 0.416 24 V N -1.140 118.683 119.914 -0.153 0.000 3.161 24 V HA 0.248 4.368 4.120 -0.000 0.000 0.221 24 V C 1.046 177.200 176.094 0.099 0.000 1.296 24 V CA 0.063 62.342 62.300 -0.035 0.000 1.306 24 V CB 0.108 31.885 31.823 -0.077 0.000 1.171 24 V HN 0.080 nan 8.190 nan 0.000 0.513 25 F N 0.863 120.758 119.950 -0.091 0.000 2.418 25 F HA 0.568 5.095 4.527 -0.000 0.000 0.341 25 F C 0.805 176.497 175.800 -0.180 0.000 1.120 25 F CA 0.172 58.047 58.000 -0.207 0.000 1.232 25 F CB 1.035 40.048 39.000 0.021 0.000 1.175 25 F HN 0.248 nan 8.300 nan 0.000 0.569 26 G N 2.414 111.124 108.800 -0.149 0.000 2.746 26 G HA2 0.538 4.498 3.960 -0.000 0.000 0.297 26 G HA3 0.538 4.498 3.960 -0.000 0.000 0.297 26 G C -2.490 172.392 174.900 -0.030 0.000 1.426 26 G CA -0.563 44.522 45.100 -0.024 0.000 0.989 26 G HN 0.464 nan 8.290 nan 0.000 0.520 27 L N 1.815 123.120 121.223 0.137 0.000 2.376 27 L HA 0.664 5.004 4.340 -0.000 0.000 0.275 27 L C -0.074 176.888 176.870 0.153 0.000 0.987 27 L CA -0.758 54.204 54.840 0.204 0.000 0.828 27 L CB 1.495 43.763 42.059 0.349 0.000 1.249 27 L HN 0.664 nan 8.230 nan 0.000 0.409 28 C N 5.998 125.374 119.300 0.127 0.000 2.585 28 C HA 0.513 4.973 4.460 -0.000 0.000 0.406 28 C C 0.246 175.297 174.990 0.101 0.000 1.312 28 C CA -0.702 58.378 59.018 0.102 0.000 1.924 28 C CB -0.948 26.846 27.740 0.090 0.000 2.578 28 C HN 0.771 nan 8.230 nan 0.000 0.580 29 L N 5.578 126.857 121.223 0.094 0.000 2.352 29 L HA 0.420 4.760 4.340 -0.000 0.000 0.269 29 L C 1.246 178.170 176.870 0.090 0.000 1.034 29 L CA -0.464 54.431 54.840 0.093 0.000 0.806 29 L CB 0.845 42.956 42.059 0.086 0.000 1.244 29 L HN 0.735 nan 8.230 nan 0.000 0.447 30 K N 0.175 120.629 120.400 0.091 0.000 2.186 30 K HA 0.077 4.397 4.320 -0.000 0.000 0.202 30 K C -0.282 176.433 176.600 0.193 0.000 1.052 30 K CA 0.875 57.227 56.287 0.108 0.000 0.965 30 K CB 0.503 33.053 32.500 0.084 0.000 0.746 30 K HN 0.599 nan 8.250 nan 0.000 0.457 31 E N -0.328 119.952 120.200 0.133 0.000 2.390 31 E HA 0.313 4.663 4.350 -0.000 0.000 0.277 31 E C -2.693 173.922 176.600 0.025 0.000 0.939 31 E CA -2.179 54.267 56.400 0.077 0.000 0.769 31 E CB 2.183 31.882 29.700 -0.001 0.000 1.251 31 E HN -0.093 nan 8.360 nan 0.000 0.450 32 P HA 0.278 nan 4.420 nan 0.000 0.279 32 P C -1.382 175.910 177.300 -0.013 0.000 1.282 32 P CA -0.320 62.698 63.100 -0.137 0.000 0.788 32 P CB 0.305 31.937 31.700 -0.114 0.000 1.139 33 Y N -3.752 116.543 120.300 -0.008 0.000 2.656 33 Y HA 0.606 5.156 4.550 -0.000 0.000 0.334 33 Y C -1.264 174.627 175.900 -0.015 0.000 1.179 33 Y CA -1.494 56.597 58.100 -0.015 0.000 1.050 33 Y CB -0.031 38.414 38.460 -0.026 0.000 1.308 33 Y HN 0.071 nan 8.280 nan 0.000 0.456 34 D N 0.814 121.369 120.400 0.258 0.000 2.225 34 D HA 0.528 5.168 4.640 -0.000 0.000 0.249 34 D C -0.923 175.502 176.300 0.208 0.000 1.052 34 D CA -0.293 53.807 54.000 0.166 0.000 0.909 34 D CB 2.212 43.063 40.800 0.085 0.000 1.186 34 D HN 0.478 nan 8.370 nan 0.000 0.431 35 V N 3.299 123.305 119.914 0.155 0.000 2.370 35 V HA 0.419 4.539 4.120 -0.000 0.000 0.283 35 V C 0.121 176.242 176.094 0.045 0.000 1.023 35 V CA -0.542 61.817 62.300 0.100 0.000 0.857 35 V CB 0.947 32.839 31.823 0.116 0.000 0.985 35 V HN 0.362 nan 8.190 nan 0.000 0.443 36 I N 4.291 124.868 120.570 0.012 0.000 2.498 36 I HA 0.515 4.685 4.170 -0.000 0.000 0.290 36 I C -0.352 175.765 176.117 -0.000 0.000 1.032 36 I CA -0.450 60.856 61.300 0.010 0.000 1.073 36 I CB 2.320 40.326 38.000 0.010 0.000 1.251 36 I HN 0.613 nan 8.210 nan 0.000 0.426 37 E N 5.421 125.623 120.200 0.003 0.000 2.222 37 E HA 0.661 5.010 4.350 -0.000 0.000 0.267 37 E C -1.776 174.822 176.600 -0.004 0.000 0.884 37 E CA -0.636 55.761 56.400 -0.006 0.000 0.764 37 E CB 2.232 31.929 29.700 -0.006 0.000 1.169 37 E HN 0.329 nan 8.360 nan 0.000 0.413 38 V N 3.942 123.847 119.914 -0.016 0.000 2.487 38 V HA 0.358 4.478 4.120 -0.000 0.000 0.298 38 V C -0.626 175.440 176.094 -0.045 0.000 1.028 38 V CA -0.708 61.582 62.300 -0.016 0.000 0.860 38 V CB 1.639 33.455 31.823 -0.011 0.000 0.991 38 V HN 0.747 nan 8.190 nan 0.000 0.427 39 E N 3.485 123.668 120.200 -0.027 0.000 2.199 39 E HA 0.730 5.080 4.350 -0.000 0.000 0.265 39 E C -0.344 176.247 176.600 -0.016 0.000 0.882 39 E CA -0.715 55.661 56.400 -0.040 0.000 0.759 39 E CB 1.909 31.598 29.700 -0.018 0.000 1.148 39 E HN 0.862 nan 8.360 nan 0.000 0.412 40 A N 5.091 127.882 122.820 -0.048 0.000 2.440 40 A HA 0.471 4.791 4.320 -0.000 0.000 0.251 40 A C 0.101 177.723 177.584 0.063 0.000 1.089 40 A CA -0.262 51.810 52.037 0.059 0.000 0.779 40 A CB -0.132 18.884 19.000 0.028 0.000 1.022 40 A HN 0.632 nan 8.150 nan 0.000 0.492 41 I N -1.432 119.192 120.570 0.090 0.000 2.934 41 I HA 0.489 4.658 4.170 -0.000 0.000 0.306 41 I C -0.289 175.863 176.117 0.057 0.000 1.110 41 I CA -0.962 60.371 61.300 0.055 0.000 1.019 41 I CB 1.888 39.912 38.000 0.040 0.000 1.227 41 I HN 0.453 nan 8.210 nan 0.000 0.434 42 D N 1.308 121.730 120.400 0.038 0.000 2.123 42 D HA -0.063 4.576 4.640 -0.000 0.000 0.200 42 D C 0.068 176.381 176.300 0.022 0.000 0.976 42 D CA 1.400 55.419 54.000 0.030 0.000 0.831 42 D CB 0.045 40.858 40.800 0.021 0.000 0.974 42 D HN 0.571 nan 8.370 nan 0.000 0.469 43 D N 1.257 121.668 120.400 0.019 0.000 2.455 43 D HA -0.002 4.638 4.640 -0.000 0.000 0.241 43 D C 0.397 176.705 176.300 0.012 0.000 1.138 43 D CA 0.362 54.370 54.000 0.013 0.000 0.877 43 D CB 0.735 41.542 40.800 0.012 0.000 1.187 43 D HN -0.007 nan 8.370 nan 0.000 0.451 44 K N 2.583 122.985 120.400 0.003 0.000 2.751 44 K HA 0.078 4.398 4.320 -0.000 0.000 0.252 44 K C 0.365 176.963 176.600 -0.003 0.000 1.277 44 K CA -0.160 56.124 56.287 -0.005 0.000 1.226 44 K CB 0.113 32.604 32.500 -0.016 0.000 1.658 44 K HN 0.460 nan 8.250 nan 0.000 0.303 45 E N 0.250 120.454 120.200 0.006 0.000 2.416 45 E HA 0.436 4.785 4.350 -0.000 0.000 0.273 45 E C -0.936 175.673 176.600 0.016 0.000 0.935 45 E CA -0.975 55.430 56.400 0.008 0.000 0.784 45 E CB 1.452 31.157 29.700 0.009 0.000 1.301 45 E HN 0.036 nan 8.360 nan 0.000 0.454 46 I N 2.121 122.700 120.570 0.016 0.000 2.382 46 I HA 0.360 4.530 4.170 -0.000 0.000 0.286 46 I C -0.591 175.539 176.117 0.022 0.000 1.002 46 I CA -0.757 60.557 61.300 0.023 0.000 1.135 46 I CB 1.213 39.227 38.000 0.022 0.000 1.288 46 I HN 0.418 nan 8.210 nan 0.000 0.448 47 I N 7.252 127.837 120.570 0.025 0.000 2.377 47 I HA 0.471 4.641 4.170 -0.000 0.000 0.293 47 I C -0.389 175.742 176.117 0.022 0.000 0.987 47 I CA -0.504 60.809 61.300 0.021 0.000 1.185 47 I CB 1.712 39.723 38.000 0.019 0.000 1.341 47 I HN 0.375 nan 8.210 nan 0.000 0.455 48 I N 5.799 126.381 120.570 0.020 0.000 2.465 48 I HA 0.384 4.554 4.170 -0.000 0.000 0.291 48 I C -0.486 175.642 176.117 0.018 0.000 1.014 48 I CA -0.542 60.771 61.300 0.021 0.000 1.093 48 I CB 1.956 39.970 38.000 0.023 0.000 1.267 48 I HN 0.550 nan 8.210 nan 0.000 0.431 49 E N 4.793 125.004 120.200 0.018 0.000 2.210 49 E HA 0.626 4.976 4.350 -0.000 0.000 0.266 49 E C -1.509 175.100 176.600 0.017 0.000 0.883 49 E CA -0.620 55.790 56.400 0.015 0.000 0.761 49 E CB 3.456 33.164 29.700 0.013 0.000 1.156 49 E HN 0.275 nan 8.360 nan 0.000 0.412 50 V N 3.085 123.009 119.914 0.016 0.000 2.808 50 V HA 0.124 4.244 4.120 -0.000 0.000 0.308 50 V C -0.319 175.783 176.094 0.014 0.000 1.099 50 V CA -0.552 61.758 62.300 0.016 0.000 0.920 50 V CB 2.000 33.834 31.823 0.018 0.000 1.014 50 V HN 0.826 nan 8.190 nan 0.000 0.425 51 D N 2.857 123.264 120.400 0.013 0.000 2.317 51 D HA -0.030 4.610 4.640 -0.000 0.000 0.211 51 D C 0.437 176.742 176.300 0.009 0.000 0.966 51 D CA 0.416 54.422 54.000 0.010 0.000 0.876 51 D CB 0.012 40.818 40.800 0.009 0.000 0.927 51 D HN 0.523 nan 8.370 nan 0.000 0.519 52 D N 1.099 121.505 120.400 0.010 0.000 2.313 52 D HA 0.025 4.665 4.640 -0.000 0.000 0.239 52 D C 1.229 177.535 176.300 0.010 0.000 1.142 52 D CA -0.392 53.614 54.000 0.009 0.000 0.847 52 D CB 1.221 42.027 40.800 0.009 0.000 1.082 52 D HN 0.229 nan 8.370 nan 0.000 0.480 53 K N 2.771 123.176 120.400 0.009 0.000 2.442 53 K HA -0.051 4.269 4.320 -0.000 0.000 0.198 53 K C 0.440 177.046 176.600 0.010 0.000 1.042 53 K CA 0.643 56.936 56.287 0.009 0.000 0.958 53 K CB 0.167 32.672 32.500 0.008 0.000 0.766 53 K HN 0.149 nan 8.250 nan 0.000 0.474 54 N N 0.739 119.445 118.700 0.010 0.000 2.336 54 N HA 0.140 4.880 4.740 -0.000 0.000 0.189 54 N C -0.146 175.371 175.510 0.013 0.000 1.113 54 N CA 0.300 53.356 53.050 0.011 0.000 0.858 54 N CB 0.413 38.906 38.487 0.010 0.000 0.970 54 N HN 0.252 nan 8.380 nan 0.000 0.471 55 I N 3.024 123.603 120.570 0.014 0.000 2.336 55 I HA 0.237 4.407 4.170 -0.000 0.000 0.292 55 I C -1.996 174.131 176.117 0.017 0.000 0.991 55 I CA -2.026 59.284 61.300 0.017 0.000 1.227 55 I CB 1.825 39.836 38.000 0.018 0.000 1.366 55 I HN -0.232 nan 8.210 nan 0.000 0.466 56 P HA 0.060 nan 4.420 nan 0.000 0.269 56 P C 0.368 177.679 177.300 0.019 0.000 1.209 56 P CA -0.099 63.012 63.100 0.018 0.000 0.776 56 P CB 0.838 32.550 31.700 0.019 0.000 0.876 57 T N -3.208 111.357 114.554 0.018 0.000 3.044 57 T HA 0.009 4.358 4.350 -0.000 0.000 0.250 57 T C 0.621 175.332 174.700 0.019 0.000 1.081 57 T CA -0.079 62.031 62.100 0.018 0.000 1.040 57 T CB -0.377 68.500 68.868 0.016 0.000 0.962 57 T HN 0.329 nan 8.240 nan 0.000 0.506 58 D N 3.930 124.341 120.400 0.018 0.000 2.434 58 D HA 0.055 4.694 4.640 -0.000 0.000 0.252 58 D C -1.119 175.194 176.300 0.022 0.000 1.185 58 D CA -1.981 52.030 54.000 0.018 0.000 0.886 58 D CB 1.557 42.367 40.800 0.018 0.000 1.148 58 D HN 0.095 nan 8.370 nan 0.000 0.483 59 P HA -0.095 nan 4.420 nan 0.000 0.225 59 P C 0.302 177.619 177.300 0.028 0.000 1.148 59 P CA 0.677 63.792 63.100 0.025 0.000 0.779 59 P CB 0.493 32.206 31.700 0.021 0.000 0.780 60 D N -0.458 119.957 120.400 0.025 0.000 2.350 60 D HA 0.037 4.677 4.640 -0.000 0.000 0.213 60 D C 1.635 177.954 176.300 0.032 0.000 1.031 60 D CA 0.582 54.599 54.000 0.029 0.000 0.861 60 D CB 0.344 41.158 40.800 0.024 0.000 0.926 60 D HN 0.327 nan 8.370 nan 0.000 0.520 61 K N -0.192 120.226 120.400 0.030 0.000 2.367 61 K HA 0.057 4.376 4.320 -0.000 0.000 0.198 61 K C 0.854 177.475 176.600 0.034 0.000 1.132 61 K CA -0.333 55.973 56.287 0.031 0.000 0.941 61 K CB 0.703 33.218 32.500 0.025 0.000 1.052 61 K HN -0.103 nan 8.250 nan 0.000 0.507 62 N N 2.119 120.838 118.700 0.033 0.000 2.497 62 N HA -0.036 4.704 4.740 -0.000 0.000 0.268 62 N C 1.199 176.735 175.510 0.042 0.000 1.171 62 N CA 0.093 53.164 53.050 0.034 0.000 0.948 62 N CB 1.678 40.184 38.487 0.031 0.000 1.069 62 N HN -0.075 nan 8.380 nan 0.000 0.460 63 V N 2.828 122.769 119.914 0.046 0.000 2.568 63 V HA -0.167 3.953 4.120 -0.000 0.000 0.253 63 V C 2.129 178.260 176.094 0.061 0.000 1.072 63 V CA 1.931 64.264 62.300 0.056 0.000 1.084 63 V CB -1.250 30.605 31.823 0.053 0.000 0.676 63 V HN 0.661 nan 8.190 nan 0.000 0.469 64 A N 1.381 124.232 122.820 0.051 0.000 1.933 64 A HA 0.050 4.370 4.320 -0.000 0.000 0.218 64 A C 2.390 180.004 177.584 0.050 0.000 1.175 64 A CA 1.962 54.030 52.037 0.051 0.000 0.628 64 A CB -1.425 17.601 19.000 0.043 0.000 0.814 64 A HN 0.712 nan 8.150 nan 0.000 0.444 65 G N -0.242 108.585 108.800 0.045 0.000 2.403 65 G HA2 -0.100 3.859 3.960 -0.000 0.000 0.216 65 G HA3 -0.100 3.859 3.960 -0.000 0.000 0.216 65 G C 1.510 176.435 174.900 0.042 0.000 1.154 65 G CA 0.981 46.104 45.100 0.039 0.000 0.784 65 G HN 0.471 nan 8.290 nan 0.000 0.538 66 I N 0.335 120.938 120.570 0.055 0.000 2.202 66 I HA -0.140 4.030 4.170 -0.000 0.000 0.242 66 I C 2.745 178.910 176.117 0.080 0.000 1.091 66 I CA 0.521 61.862 61.300 0.069 0.000 1.368 66 I CB -0.217 37.837 38.000 0.090 0.000 1.058 66 I HN 0.015 nan 8.210 nan 0.000 0.410 67 V N 0.993 120.964 119.914 0.095 0.000 2.307 67 V HA -0.270 3.850 4.120 -0.000 0.000 0.245 67 V C 2.709 178.825 176.094 0.036 0.000 1.045 67 V CA 1.968 64.333 62.300 0.107 0.000 1.024 67 V CB -0.968 30.929 31.823 0.124 0.000 0.651 67 V HN 0.482 nan 8.190 nan 0.000 0.449 68 A N -0.083 122.755 122.820 0.030 0.000 1.902 68 A HA -0.284 4.036 4.320 -0.000 0.000 0.217 68 A C 2.346 179.916 177.584 -0.023 0.000 1.181 68 A CA 2.287 54.330 52.037 0.009 0.000 0.623 68 A CB -0.517 18.506 19.000 0.038 0.000 0.818 68 A HN 0.541 nan 8.150 nan 0.000 0.443 69 K N -0.378 120.016 120.400 -0.009 0.000 2.026 69 K HA -0.241 4.078 4.320 -0.000 0.000 0.208 69 K C 2.137 178.708 176.600 -0.049 0.000 1.048 69 K CA 1.903 58.175 56.287 -0.026 0.000 0.929 69 K CB -0.157 32.339 32.500 -0.007 0.000 0.713 69 K HN 0.231 nan 8.250 nan 0.000 0.439 70 K N 0.940 121.314 120.400 -0.043 0.000 2.032 70 K HA -0.091 4.229 4.320 -0.000 0.000 0.209 70 K C 1.971 178.510 176.600 -0.102 0.000 1.048 70 K CA 1.873 58.120 56.287 -0.066 0.000 0.927 70 K CB -0.162 32.295 32.500 -0.071 0.000 0.712 70 K HN 0.226 nan 8.250 nan 0.000 0.441 71 M N -0.531 118.947 119.600 -0.203 0.000 2.132 71 M HA -0.064 4.415 4.480 -0.000 0.000 0.263 71 M C 2.165 178.405 176.300 -0.099 0.000 1.065 71 M CA 1.439 56.550 55.300 -0.314 0.000 1.122 71 M CB -0.280 32.069 32.600 -0.418 0.000 1.365 71 M HN 0.076 nan 8.290 nan 0.000 0.411 72 I N 0.488 120.982 120.570 -0.127 0.000 2.179 72 I HA -0.325 3.845 4.170 -0.000 0.000 0.242 72 I C 1.879 177.926 176.117 -0.115 0.000 1.088 72 I CA 1.285 62.486 61.300 -0.165 0.000 1.357 72 I CB -0.466 37.430 38.000 -0.173 0.000 1.051 72 I HN 0.269 nan 8.210 nan 0.000 0.409 73 D N 0.625 120.967 120.400 -0.096 0.000 2.117 73 D HA -0.174 4.466 4.640 -0.000 0.000 0.198 73 D C 1.754 177.983 176.300 -0.118 0.000 0.982 73 D CA 1.225 55.169 54.000 -0.092 0.000 0.828 73 D CB -0.453 40.301 40.800 -0.077 0.000 0.967 73 D HN 0.266 nan 8.370 nan 0.000 0.464 74 D N -0.608 119.714 120.400 -0.131 0.000 2.218 74 D HA -0.100 4.540 4.640 -0.000 0.000 0.204 74 D C 1.002 176.970 176.300 -0.553 0.000 0.976 74 D CA 0.590 54.425 54.000 -0.275 0.000 0.853 74 D CB -0.172 40.506 40.800 -0.203 0.000 0.939 74 D HN 0.250 nan 8.370 nan 0.000 0.481 75 F N 0.124 120.006 119.950 -0.113 0.000 2.647 75 F HA 0.182 4.709 4.527 -0.000 0.000 0.300 75 F C 0.350 176.078 175.800 -0.121 0.000 1.106 75 F CA -0.454 57.481 58.000 -0.108 0.000 1.313 75 F CB -0.065 38.857 39.000 -0.130 0.000 1.007 75 F HN -0.254 nan 8.300 nan 0.000 0.536 76 N N 1.268 119.928 118.700 -0.067 0.000 2.716 76 N HA -0.236 4.503 4.740 -0.000 0.000 0.250 76 N C -0.225 175.235 175.510 -0.082 0.000 1.033 76 N CA 0.634 53.641 53.050 -0.070 0.000 0.727 76 N CB -1.609 36.844 38.487 -0.056 0.000 0.950 76 N HN 0.337 nan 8.380 nan 0.000 0.541 77 I N -0.317 120.168 120.570 -0.141 0.000 2.588 77 I HA 0.090 4.260 4.170 -0.000 0.000 0.283 77 I C 1.709 177.695 176.117 -0.217 0.000 1.119 77 I CA 0.409 61.545 61.300 -0.273 0.000 1.419 77 I CB 0.835 38.474 38.000 -0.602 0.000 1.394 77 I HN 0.254 nan 8.210 nan 0.000 0.562 78 G N 6.319 115.022 108.800 -0.162 0.000 3.448 78 G HA2 0.172 4.131 3.960 -0.000 0.000 0.261 78 G HA3 0.172 4.131 3.960 -0.000 0.000 0.261 78 G C 0.411 175.265 174.900 -0.077 0.000 1.173 78 G CA -0.214 44.828 45.100 -0.097 0.000 0.835 78 G HN 0.485 nan 8.290 nan 0.000 0.534 79 K N -0.441 119.886 120.400 -0.123 0.000 2.306 79 K HA 0.618 4.937 4.320 -0.000 0.000 0.236 79 K C 0.050 176.639 176.600 -0.019 0.000 1.013 79 K CA -0.784 55.490 56.287 -0.021 0.000 0.857 79 K CB 2.226 34.796 32.500 0.118 0.000 1.214 79 K HN 0.080 nan 8.250 nan 0.000 0.449 80 G N -0.142 108.685 108.800 0.045 0.000 2.613 80 G HA2 0.618 4.578 3.960 -0.000 0.000 0.303 80 G HA3 0.618 4.578 3.960 -0.000 0.000 0.303 80 G C -0.799 174.168 174.900 0.112 0.000 1.312 80 G CA -0.586 44.541 45.100 0.046 0.000 1.036 80 G HN 0.374 nan 8.290 nan 0.000 0.513 81 V N -2.764 117.205 119.914 0.092 0.000 2.971 81 V HA 0.742 4.862 4.120 -0.000 0.000 0.309 81 V C -0.738 175.391 176.094 0.058 0.000 1.130 81 V CA -1.353 61.009 62.300 0.104 0.000 0.964 81 V CB 1.833 33.737 31.823 0.136 0.000 1.029 81 V HN 0.820 nan 8.190 nan 0.000 0.427 82 K N 3.093 123.518 120.400 0.043 0.000 2.235 82 K HA 0.735 5.054 4.320 -0.000 0.000 0.266 82 K C -1.401 175.213 176.600 0.025 0.000 0.980 82 K CA -0.717 55.587 56.287 0.028 0.000 0.849 82 K CB 1.424 33.936 32.500 0.019 0.000 1.098 82 K HN 0.838 nan 8.250 nan 0.000 0.445 83 I N 4.015 124.600 120.570 0.025 0.000 2.389 83 I HA 0.168 4.338 4.170 -0.000 0.000 0.288 83 I C -0.153 175.976 176.117 0.020 0.000 0.999 83 I CA -0.822 60.492 61.300 0.024 0.000 1.129 83 I CB 2.032 40.050 38.000 0.030 0.000 1.288 83 I HN 0.658 nan 8.210 nan 0.000 0.444 84 T N 4.838 119.401 114.554 0.016 0.000 2.779 84 T HA 0.751 5.101 4.350 -0.000 0.000 0.280 84 T C -0.576 174.135 174.700 0.019 0.000 0.987 84 T CA -0.578 61.532 62.100 0.016 0.000 0.966 84 T CB 1.285 70.160 68.868 0.012 0.000 0.933 84 T HN 0.325 nan 8.240 nan 0.000 0.442 85 I N 2.583 123.165 120.570 0.021 0.000 2.465 85 I HA 0.438 4.607 4.170 -0.000 0.000 0.291 85 I C -0.031 176.101 176.117 0.025 0.000 1.014 85 I CA -0.937 60.378 61.300 0.025 0.000 1.093 85 I CB 2.210 40.226 38.000 0.027 0.000 1.267 85 I HN 0.501 nan 8.210 nan 0.000 0.431 86 K N 5.938 126.357 120.400 0.032 0.000 2.425 86 K HA 0.383 4.703 4.320 -0.000 0.000 0.259 86 K C -0.838 175.781 176.600 0.032 0.000 0.978 86 K CA -1.019 55.285 56.287 0.028 0.000 0.883 86 K CB 1.432 33.951 32.500 0.032 0.000 1.110 86 K HN 0.298 nan 8.250 nan 0.000 0.436 87 K N 1.139 121.550 120.400 0.019 0.000 2.350 87 K HA 0.051 4.371 4.320 -0.000 0.000 0.279 87 K C 1.133 177.728 176.600 -0.007 0.000 1.027 87 K CA 0.031 56.327 56.287 0.014 0.000 0.969 87 K CB 1.266 33.772 32.500 0.009 0.000 0.954 87 K HN 0.868 nan 8.250 nan 0.000 0.474 88 G N 1.292 110.087 108.800 -0.008 0.000 2.411 88 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.213 88 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.213 88 G C 0.137 175.006 174.900 -0.052 0.000 1.166 88 G CA 0.356 45.418 45.100 -0.064 0.000 0.802 88 G HN 0.401 nan 8.290 nan 0.000 0.533 89 V N -0.074 119.827 119.914 -0.023 0.000 3.147 89 V HA 0.466 4.586 4.120 -0.000 0.000 0.306 89 V C -0.863 175.227 176.094 -0.007 0.000 1.209 89 V CA -1.228 61.060 62.300 -0.020 0.000 1.023 89 V CB 2.264 34.075 31.823 -0.021 0.000 1.059 89 V HN 0.581 nan 8.190 nan 0.000 0.435 90 K N 3.964 124.359 120.400 -0.008 0.000 2.286 90 K HA 0.645 4.965 4.320 -0.000 0.000 0.256 90 K C 0.131 176.732 176.600 0.002 0.000 0.999 90 K CA 0.356 56.642 56.287 -0.002 0.000 0.908 90 K CB 0.661 33.160 32.500 -0.003 0.000 0.981 90 K HN 0.988 nan 8.250 nan 0.000 0.500 91 A N 0.691 123.515 122.820 0.007 0.000 2.386 91 A HA 0.425 4.745 4.320 -0.000 0.000 0.246 91 A C 1.164 178.751 177.584 0.004 0.000 1.089 91 A CA 0.122 52.166 52.037 0.011 0.000 0.790 91 A CB -0.786 18.223 19.000 0.016 0.000 1.042 91 A HN 1.336 nan 8.150 nan 0.000 0.497 92 G N -0.040 108.764 108.800 0.006 0.000 2.198 92 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.260 92 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.260 92 G C 0.686 175.574 174.900 -0.019 0.000 1.025 92 G CA 0.718 45.816 45.100 -0.003 0.000 0.769 92 G HN 1.056 nan 8.290 nan 0.000 0.507 93 S N -1.011 114.677 115.700 -0.019 0.000 2.511 93 S HA 0.412 4.881 4.470 -0.000 0.000 0.214 93 S C 2.081 176.653 174.600 -0.047 0.000 0.997 93 S CA 1.155 59.331 58.200 -0.040 0.000 0.908 93 S CB 0.366 63.545 63.200 -0.034 0.000 0.803 93 S HN 2.176 nan 8.310 nan 0.000 0.504 94 G N 1.375 110.161 108.800 -0.025 0.000 2.141 94 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.242 94 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.242 94 G C 0.350 175.249 174.900 -0.002 0.000 0.982 94 G CA 0.181 45.268 45.100 -0.021 0.000 0.662 94 G HN 0.489 nan 8.290 nan 0.000 0.527 95 L N 0.235 121.460 121.223 0.005 0.000 2.965 95 L HA 0.468 4.808 4.340 -0.000 0.000 0.254 95 L C 1.802 178.695 176.870 0.038 0.000 1.220 95 L CA 0.267 55.118 54.840 0.018 0.000 1.023 95 L CB 0.233 42.294 42.059 0.004 0.000 1.355 95 L HN 0.837 nan 8.230 nan 0.000 0.545 96 G N 0.384 109.213 108.800 0.049 0.000 2.273 96 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.280 96 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.280 96 G C 0.986 175.915 174.900 0.047 0.000 1.047 96 G CA 0.714 45.850 45.100 0.060 0.000 0.869 96 G HN 0.385 nan 8.290 nan 0.000 0.502 97 S N -0.606 115.117 115.700 0.039 0.000 2.359 97 S HA -0.133 4.337 4.470 -0.000 0.000 0.224 97 S C 2.644 177.266 174.600 0.037 0.000 1.035 97 S CA 2.222 60.442 58.200 0.033 0.000 1.018 97 S CB -0.233 62.981 63.200 0.024 0.000 0.876 97 S HN 1.114 nan 8.310 nan 0.000 0.448 98 S N 0.523 116.246 115.700 0.039 0.000 2.368 98 S HA 0.004 4.474 4.470 -0.000 0.000 0.225 98 S C 2.056 176.676 174.600 0.033 0.000 1.030 98 S CA 1.379 59.602 58.200 0.038 0.000 0.999 98 S CB -0.696 62.530 63.200 0.043 0.000 0.844 98 S HN 0.658 nan 8.310 nan 0.000 0.459 99 A N 1.170 124.008 122.820 0.029 0.000 1.972 99 A HA 0.198 4.517 4.320 -0.000 0.000 0.219 99 A C 2.409 180.011 177.584 0.031 0.000 1.169 99 A CA 1.779 53.825 52.037 0.016 0.000 0.635 99 A CB -1.227 17.779 19.000 0.010 0.000 0.810 99 A HN 0.724 nan 8.150 nan 0.000 0.446 100 A N -0.651 122.191 122.820 0.037 0.000 1.877 100 A HA -0.078 4.241 4.320 -0.000 0.000 0.216 100 A C 2.458 180.062 177.584 0.034 0.000 1.186 100 A CA 2.075 54.135 52.037 0.038 0.000 0.620 100 A CB -0.869 18.161 19.000 0.050 0.000 0.822 100 A HN 0.436 nan 8.150 nan 0.000 0.443 101 S N -0.052 115.671 115.700 0.038 0.000 2.383 101 S HA -0.096 4.374 4.470 -0.000 0.000 0.227 101 S C 2.327 176.955 174.600 0.047 0.000 1.026 101 S CA 1.392 59.616 58.200 0.039 0.000 0.981 101 S CB -0.255 62.968 63.200 0.039 0.000 0.818 101 S HN 0.644 nan 8.310 nan 0.000 0.472 102 S N 1.676 117.405 115.700 0.050 0.000 2.355 102 S HA -0.019 4.451 4.470 -0.000 0.000 0.222 102 S C 2.271 176.919 174.600 0.079 0.000 1.031 102 S CA 1.026 59.266 58.200 0.067 0.000 0.993 102 S CB -0.500 62.736 63.200 0.060 0.000 0.859 102 S HN 0.601 nan 8.310 nan 0.000 0.453 103 A N 1.494 124.354 122.820 0.066 0.000 1.898 103 A HA 0.120 4.440 4.320 -0.000 0.000 0.216 103 A C 2.334 179.964 177.584 0.076 0.000 1.181 103 A CA 1.665 53.747 52.037 0.075 0.000 0.620 103 A CB -1.413 17.618 19.000 0.051 0.000 0.819 103 A HN 0.513 nan 8.150 nan 0.000 0.442 104 G N -1.129 107.693 108.800 0.037 0.000 2.418 104 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.217 104 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.217 104 G C 1.565 176.506 174.900 0.069 0.000 1.158 104 G CA 1.654 46.760 45.100 0.010 0.000 0.771 104 G HN 0.426 nan 8.290 nan 0.000 0.545 105 T N 1.583 116.178 114.554 0.068 0.000 2.777 105 T HA 0.054 4.403 4.350 -0.000 0.000 0.266 105 T C 2.843 177.594 174.700 0.084 0.000 1.040 105 T CA 1.441 63.584 62.100 0.071 0.000 1.141 105 T CB -0.379 68.527 68.868 0.062 0.000 0.868 105 T HN 0.365 nan 8.240 nan 0.000 0.444 106 A N 0.607 123.487 122.820 0.100 0.000 1.883 106 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 106 A C 2.088 179.719 177.584 0.079 0.000 1.186 106 A CA 1.810 53.901 52.037 0.090 0.000 0.624 106 A CB -1.179 17.910 19.000 0.149 0.000 0.822 106 A HN 0.640 nan 8.150 nan 0.000 0.444 107 Y N 0.370 120.657 120.300 -0.022 0.000 2.145 107 Y HA -0.131 4.419 4.550 -0.000 0.000 0.286 107 Y C 2.668 178.530 175.900 -0.063 0.000 1.145 107 Y CA 1.658 59.727 58.100 -0.052 0.000 1.148 107 Y CB -0.319 38.105 38.460 -0.060 0.000 0.981 107 Y HN 0.330 nan 8.280 nan 0.000 0.507 108 A N 0.458 123.429 122.820 0.252 0.000 1.898 108 A HA -0.154 4.165 4.320 -0.000 0.000 0.216 108 A C 2.123 179.702 177.584 -0.008 0.000 1.181 108 A CA 1.730 53.845 52.037 0.130 0.000 0.620 108 A CB -0.872 18.178 19.000 0.084 0.000 0.819 108 A HN 0.523 nan 8.150 nan 0.000 0.442 109 I N 0.541 121.119 120.570 0.013 0.000 2.226 109 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 109 I C 2.278 178.386 176.117 -0.015 0.000 1.100 109 I CA 1.975 63.303 61.300 0.048 0.000 1.374 109 I CB -1.611 36.427 38.000 0.064 0.000 1.057 109 I HN 0.477 nan 8.210 nan 0.000 0.413 110 N N 1.102 119.733 118.700 -0.116 0.000 2.069 110 N HA -0.223 4.517 4.740 -0.000 0.000 0.191 110 N C 1.743 177.122 175.510 -0.219 0.000 1.031 110 N CA 1.580 54.508 53.050 -0.205 0.000 0.852 110 N CB 0.071 38.398 38.487 -0.267 0.000 1.018 110 N HN 0.213 nan 8.380 nan 0.000 0.423 111 E N 0.099 120.148 120.200 -0.252 0.000 2.047 111 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 111 E C 1.996 178.466 176.600 -0.216 0.000 0.987 111 E CA 0.530 56.791 56.400 -0.231 0.000 0.799 111 E CB -0.709 28.876 29.700 -0.192 0.000 0.752 111 E HN 0.369 nan 8.360 nan 0.000 0.449 112 L N 0.037 121.100 121.223 -0.268 0.000 2.042 112 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 112 L C 1.693 178.193 176.870 -0.617 0.000 1.076 112 L CA 1.692 56.244 54.840 -0.479 0.000 0.749 112 L CB -0.392 41.268 42.059 -0.664 0.000 0.893 112 L HN -0.004 nan 8.230 nan 0.000 0.432 113 F N -0.197 119.681 119.950 -0.120 0.000 2.641 113 F HA 0.235 4.761 4.527 -0.000 0.000 0.302 113 F C 0.781 176.491 175.800 -0.149 0.000 1.098 113 F CA -0.518 57.408 58.000 -0.123 0.000 1.318 113 F CB -0.179 38.743 39.000 -0.130 0.000 1.035 113 F HN -0.097 nan 8.300 nan 0.000 0.551 114 K N 0.985 121.347 120.400 -0.064 0.000 3.278 114 K HA -0.225 4.095 4.320 -0.000 0.000 0.270 114 K C 0.609 177.136 176.600 -0.123 0.000 0.955 114 K CA 0.097 56.327 56.287 -0.095 0.000 0.723 114 K CB -1.796 30.666 32.500 -0.064 0.000 1.382 114 K HN 0.482 nan 8.250 nan 0.000 0.461 115 L N -0.005 121.099 121.223 -0.199 0.000 2.478 115 L HA -0.037 4.303 4.340 -0.000 0.000 0.223 115 L C 0.669 177.385 176.870 -0.257 0.000 1.140 115 L CA 0.119 54.754 54.840 -0.341 0.000 0.842 115 L CB -0.306 41.382 42.059 -0.620 0.000 0.953 115 L HN 0.428 nan 8.230 nan 0.000 0.452 116 N N 1.008 119.595 118.700 -0.188 0.000 2.727 116 N HA -0.180 4.559 4.740 -0.000 0.000 0.249 116 N C -0.269 175.172 175.510 -0.115 0.000 1.048 116 N CA 0.765 53.733 53.050 -0.137 0.000 0.714 116 N CB -1.394 37.039 38.487 -0.090 0.000 0.959 116 N HN 0.327 nan 8.380 nan 0.000 0.544 117 L N 0.712 121.851 121.223 -0.140 0.000 2.371 117 L HA 0.179 4.519 4.340 -0.000 0.000 0.272 117 L C 1.086 177.915 176.870 -0.069 0.000 1.124 117 L CA -0.718 54.082 54.840 -0.066 0.000 0.816 117 L CB 0.541 42.578 42.059 -0.038 0.000 1.129 117 L HN 0.131 nan 8.230 nan 0.000 0.448 118 D N 1.314 121.698 120.400 -0.027 0.000 2.398 118 D HA 0.090 4.730 4.640 -0.000 0.000 0.247 118 D C 0.606 176.857 176.300 -0.082 0.000 1.227 118 D CA -0.496 53.473 54.000 -0.052 0.000 0.980 118 D CB 0.795 41.589 40.800 -0.010 0.000 1.106 118 D HN 0.325 nan 8.370 nan 0.000 0.493 119 K N -0.821 119.468 120.400 -0.185 0.000 2.063 119 K HA -0.129 4.191 4.320 -0.000 0.000 0.208 119 K C 1.867 178.384 176.600 -0.138 0.000 1.048 119 K CA 0.871 56.932 56.287 -0.375 0.000 0.928 119 K CB -0.364 31.519 32.500 -1.027 0.000 0.713 119 K HN 0.287 nan 8.250 nan 0.000 0.442 120 L N 1.865 123.144 121.223 0.093 0.000 2.042 120 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 120 L C 2.173 179.117 176.870 0.124 0.000 1.076 120 L CA 1.872 56.849 54.840 0.228 0.000 0.749 120 L CB -0.355 41.824 42.059 0.201 0.000 0.893 120 L HN -0.058 nan 8.230 nan 0.000 0.432 121 K N -0.511 119.942 120.400 0.088 0.000 2.097 121 K HA -0.085 4.235 4.320 -0.000 0.000 0.205 121 K C 1.978 178.679 176.600 0.167 0.000 1.050 121 K CA 1.525 57.870 56.287 0.096 0.000 0.938 121 K CB -0.419 32.160 32.500 0.133 0.000 0.718 121 K HN 0.429 nan 8.250 nan 0.000 0.442 122 L N -0.330 120.976 121.223 0.138 0.000 2.083 122 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 122 L C 2.134 179.109 176.870 0.176 0.000 1.083 122 L CA 0.782 55.723 54.840 0.168 0.000 0.752 122 L CB -0.403 41.688 42.059 0.054 0.000 0.899 122 L HN -0.011 nan 8.230 nan 0.000 0.433 123 V N -0.184 119.813 119.914 0.139 0.000 2.358 123 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 123 V C 2.189 178.357 176.094 0.122 0.000 1.047 123 V CA 1.999 64.385 62.300 0.143 0.000 1.035 123 V CB -0.406 31.532 31.823 0.192 0.000 0.658 123 V HN 0.440 nan 8.190 nan 0.000 0.452 124 D N -0.698 119.759 120.400 0.095 0.000 2.092 124 D HA -0.228 4.412 4.640 -0.000 0.000 0.193 124 D C 2.014 178.400 176.300 0.144 0.000 0.994 124 D CA 1.831 55.862 54.000 0.051 0.000 0.828 124 D CB -0.277 40.506 40.800 -0.028 0.000 0.963 124 D HN 0.541 nan 8.370 nan 0.000 0.450 125 Y N 0.309 120.759 120.300 0.251 0.000 2.165 125 Y HA -0.153 4.397 4.550 -0.000 0.000 0.286 125 Y C 2.507 178.572 175.900 0.274 0.000 1.155 125 Y CA 1.188 59.460 58.100 0.286 0.000 1.164 125 Y CB -0.312 38.236 38.460 0.147 0.000 0.978 125 Y HN 0.044 nan 8.280 nan 0.000 0.513 126 A N -0.325 122.687 122.820 0.320 0.000 1.972 126 A HA -0.221 4.098 4.320 -0.000 0.000 0.219 126 A C 2.332 180.000 177.584 0.139 0.000 1.169 126 A CA 1.806 53.964 52.037 0.202 0.000 0.635 126 A CB -1.068 18.011 19.000 0.132 0.000 0.810 126 A HN 0.503 nan 8.150 nan 0.000 0.446 127 S N -1.588 114.169 115.700 0.095 0.000 2.469 127 S HA -0.169 4.301 4.470 -0.000 0.000 0.238 127 S C 1.657 176.189 174.600 -0.113 0.000 0.998 127 S CA 1.181 59.352 58.200 -0.048 0.000 0.957 127 S CB -0.821 62.334 63.200 -0.075 0.000 0.764 127 S HN 0.567 nan 8.310 nan 0.000 0.514 128 Y N 2.209 122.540 120.300 0.051 0.000 2.421 128 Y HA 0.157 4.707 4.550 -0.000 0.000 0.292 128 Y C 2.693 178.620 175.900 0.045 0.000 1.136 128 Y CA 0.671 58.804 58.100 0.055 0.000 1.255 128 Y CB -0.761 37.758 38.460 0.098 0.000 0.991 128 Y HN 0.454 nan 8.280 nan 0.000 0.552 129 G N -0.529 108.367 108.800 0.160 0.000 2.408 129 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.215 129 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.215 129 G C 1.561 176.482 174.900 0.036 0.000 1.156 129 G CA 0.494 45.653 45.100 0.098 0.000 0.793 129 G HN 0.219 nan 8.290 nan 0.000 0.535 130 E N 0.133 120.316 120.200 -0.028 0.000 2.150 130 E HA -0.053 4.296 4.350 -0.000 0.000 0.193 130 E C 2.437 179.026 176.600 -0.018 0.000 0.985 130 E CA 0.281 56.630 56.400 -0.086 0.000 0.814 130 E CB -0.259 29.237 29.700 -0.340 0.000 0.752 130 E HN 0.360 nan 8.360 nan 0.000 0.466 131 L N 1.311 122.510 121.223 -0.040 0.000 1.970 131 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 131 L C 2.230 179.111 176.870 0.018 0.000 1.071 131 L CA 2.384 57.207 54.840 -0.029 0.000 0.751 131 L CB -1.050 40.969 42.059 -0.067 0.000 0.889 131 L HN 0.041 nan 8.230 nan 0.000 0.432 132 A N -0.989 121.853 122.820 0.038 0.000 1.877 132 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 132 A C 2.455 180.064 177.584 0.042 0.000 1.186 132 A CA 2.373 54.437 52.037 0.045 0.000 0.620 132 A CB -1.193 17.843 19.000 0.059 0.000 0.822 132 A HN 0.689 nan 8.150 nan 0.000 0.443 133 S N -0.528 115.200 115.700 0.047 0.000 2.461 133 S HA -0.048 4.422 4.470 -0.000 0.000 0.228 133 S C 1.657 176.292 174.600 0.059 0.000 1.005 133 S CA 1.492 59.722 58.200 0.050 0.000 0.942 133 S CB -0.340 62.892 63.200 0.052 0.000 0.776 133 S HN 0.981 nan 8.310 nan 0.000 0.514 134 S N -1.036 114.710 115.700 0.076 0.000 2.632 134 S HA 0.535 5.005 4.470 -0.000 0.000 0.237 134 S C 1.462 176.087 174.600 0.043 0.000 1.037 134 S CA 0.494 58.740 58.200 0.076 0.000 1.009 134 S CB 0.034 63.326 63.200 0.152 0.000 0.974 134 S HN 1.456 nan 8.310 nan 0.000 0.544 135 G N 0.818 109.639 108.800 0.035 0.000 2.159 135 G HA2 0.036 3.996 3.960 -0.000 0.000 0.256 135 G HA3 0.036 3.996 3.960 -0.000 0.000 0.256 135 G C 0.138 175.037 174.900 -0.003 0.000 0.977 135 G CA -0.061 45.047 45.100 0.012 0.000 0.652 135 G HN 1.622 nan 8.290 nan 0.000 0.531 136 A N -0.480 122.350 122.820 0.017 0.000 2.427 136 A HA 0.759 5.079 4.320 -0.000 0.000 0.298 136 A C 0.244 177.825 177.584 -0.005 0.000 1.036 136 A CA 0.276 52.303 52.037 -0.016 0.000 0.701 136 A CB 1.120 20.100 19.000 -0.033 0.000 1.250 136 A HN 0.537 nan 8.150 nan 0.000 0.412 137 K N 2.570 122.898 120.400 -0.119 0.000 3.245 137 K HA 0.050 4.370 4.320 -0.000 0.000 0.285 137 K C 0.092 176.620 176.600 -0.120 0.000 1.156 137 K CA -0.068 56.118 56.287 -0.167 0.000 1.162 137 K CB -0.939 31.405 32.500 -0.260 0.000 1.365 137 K HN 0.923 nan 8.250 nan 0.000 0.316 138 H N -1.875 117.114 119.070 -0.135 0.000 2.732 138 H HA 0.297 4.852 4.556 -0.000 0.000 0.351 138 H C 0.311 175.697 175.328 0.097 0.000 1.090 138 H CA -0.154 55.865 56.048 -0.048 0.000 1.431 138 H CB 1.532 31.243 29.762 -0.085 0.000 1.447 138 H HN 0.148 nan 8.280 nan 0.000 0.582 139 A N 2.767 125.730 122.820 0.237 0.000 2.508 139 A HA 0.013 4.333 4.320 -0.000 0.000 0.257 139 A C 1.217 178.835 177.584 0.056 0.000 1.226 139 A CA 0.099 52.175 52.037 0.065 0.000 0.947 139 A CB -0.076 18.967 19.000 0.073 0.000 1.079 139 A HN 0.900 nan 8.150 nan 0.000 0.531 140 D N 0.057 120.547 120.400 0.150 0.000 2.348 140 D HA -0.122 4.517 4.640 -0.000 0.000 0.216 140 D C 0.933 177.285 176.300 0.085 0.000 0.970 140 D CA 0.764 54.825 54.000 0.102 0.000 0.889 140 D CB -0.185 40.671 40.800 0.093 0.000 0.912 140 D HN 0.405 nan 8.370 nan 0.000 0.524 141 N N 0.231 118.981 118.700 0.083 0.000 2.499 141 N HA -0.033 4.707 4.740 -0.000 0.000 0.182 141 N C 2.134 177.665 175.510 0.035 0.000 1.034 141 N CA 1.077 54.167 53.050 0.066 0.000 0.882 141 N CB 0.771 39.308 38.487 0.084 0.000 1.125 141 N HN 0.200 nan 8.380 nan 0.000 0.436 142 V N -0.157 119.755 119.914 -0.004 0.000 2.626 142 V HA 0.044 4.164 4.120 -0.000 0.000 0.252 142 V C 2.428 178.570 176.094 0.079 0.000 1.067 142 V CA 1.480 63.797 62.300 0.028 0.000 1.081 142 V CB -1.135 30.696 31.823 0.013 0.000 0.686 142 V HN 0.098 nan 8.190 nan 0.000 0.468 143 A N 2.086 124.954 122.820 0.079 0.000 1.858 143 A HA -0.038 4.282 4.320 -0.000 0.000 0.216 143 A C 1.023 178.722 177.584 0.192 0.000 1.190 143 A CA 2.114 54.237 52.037 0.143 0.000 0.617 143 A CB -1.958 17.046 19.000 0.007 0.000 0.827 143 A HN 0.633 nan 8.150 nan 0.000 0.443 144 P HA -0.063 nan 4.420 nan 0.000 0.221 144 P C 1.490 178.854 177.300 0.107 0.000 1.150 144 P CA 1.697 64.862 63.100 0.109 0.000 0.800 144 P CB -0.123 31.616 31.700 0.064 0.000 0.787 145 A N 0.169 123.039 122.820 0.083 0.000 1.933 145 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 145 A C 2.244 179.845 177.584 0.028 0.000 1.175 145 A CA 1.376 53.443 52.037 0.049 0.000 0.628 145 A CB -1.133 17.891 19.000 0.040 0.000 0.814 145 A HN 0.059 nan 8.150 nan 0.000 0.444 146 I N -2.181 118.425 120.570 0.060 0.000 2.385 146 I HA -0.022 4.148 4.170 -0.000 0.000 0.244 146 I C 2.105 178.161 176.117 -0.102 0.000 1.089 146 I CA 1.084 62.378 61.300 -0.010 0.000 1.410 146 I CB -1.386 36.599 38.000 -0.026 0.000 1.117 146 I HN 0.298 nan 8.210 nan 0.000 0.429 147 F N 1.272 121.157 119.950 -0.109 0.000 2.367 147 F HA 0.249 4.775 4.527 -0.000 0.000 0.298 147 F C 1.668 177.322 175.800 -0.243 0.000 1.094 147 F CA 0.845 58.678 58.000 -0.278 0.000 1.409 147 F CB -0.669 38.065 39.000 -0.444 0.000 1.064 147 F HN 0.238 nan 8.300 nan 0.000 0.528 148 G N -0.406 108.455 108.800 0.102 0.000 2.829 148 G HA2 0.285 4.244 3.960 -0.000 0.000 0.628 148 G HA3 0.285 4.244 3.960 -0.000 0.000 0.628 148 G C 0.444 175.500 174.900 0.261 0.000 1.412 148 G CA -0.554 44.618 45.100 0.120 0.000 0.864 148 G HN 1.160 nan 8.290 nan 0.000 0.544 149 G N -0.661 108.257 108.800 0.196 0.000 2.547 149 G HA2 0.221 4.181 3.960 -0.000 0.000 0.271 149 G HA3 0.221 4.181 3.960 -0.000 0.000 0.271 149 G C 0.157 175.168 174.900 0.186 0.000 1.209 149 G CA 0.804 46.009 45.100 0.174 0.000 0.959 149 G HN 2.248 nan 8.290 nan 0.000 0.563 150 F N 2.594 122.514 119.950 -0.050 0.000 2.458 150 F HA 0.685 5.212 4.527 -0.000 0.000 0.336 150 F C 0.723 176.502 175.800 -0.034 0.000 1.114 150 F CA 0.390 58.342 58.000 -0.081 0.000 0.987 150 F CB 2.034 40.894 39.000 -0.233 0.000 1.130 150 F HN 0.968 nan 8.300 nan 0.000 0.458 151 T N 3.680 117.902 114.554 -0.553 0.000 2.916 151 T HA 0.714 5.064 4.350 -0.000 0.000 0.292 151 T C -0.722 173.617 174.700 -0.601 0.000 1.055 151 T CA -1.048 60.800 62.100 -0.420 0.000 1.009 151 T CB 1.924 70.647 68.868 -0.241 0.000 1.118 151 T HN 0.617 nan 8.240 nan 0.000 0.497 152 M N 1.982 121.395 119.600 -0.311 0.000 2.204 152 M HA 0.394 4.874 4.480 -0.000 0.000 0.293 152 M C -1.194 175.040 176.300 -0.109 0.000 0.994 152 M CA -0.975 54.256 55.300 -0.115 0.000 0.925 152 M CB 2.634 35.270 32.600 0.060 0.000 1.577 152 M HN 0.392 nan 8.290 nan 0.000 0.439 153 V N 2.838 122.694 119.914 -0.097 0.000 2.372 153 V HA 0.155 4.275 4.120 -0.000 0.000 0.261 153 V C 1.098 177.105 176.094 -0.144 0.000 1.055 153 V CA 0.181 62.370 62.300 -0.185 0.000 0.930 153 V CB 0.648 32.348 31.823 -0.205 0.000 1.031 153 V HN 1.018 nan 8.190 nan 0.000 0.479 154 T N 0.466 114.935 114.554 -0.142 0.000 3.069 154 T HA 0.243 4.593 4.350 -0.000 0.000 0.252 154 T C 0.480 175.130 174.700 -0.084 0.000 1.053 154 T CA -0.206 61.853 62.100 -0.069 0.000 0.964 154 T CB -0.042 68.813 68.868 -0.022 0.000 1.005 154 T HN 0.554 nan 8.240 nan 0.000 0.532 155 N N -0.592 117.991 118.700 -0.194 0.000 3.171 155 N HA 0.256 4.996 4.740 -0.000 0.000 0.239 155 N C -2.229 173.088 175.510 -0.321 0.000 1.275 155 N CA -0.375 52.591 53.050 -0.139 0.000 0.920 155 N CB 1.708 40.155 38.487 -0.067 0.000 1.554 155 N HN 0.117 nan 8.380 nan 0.000 0.504 156 Y N 0.651 120.943 120.300 -0.015 0.000 2.570 156 Y HA 0.274 4.824 4.550 -0.000 0.000 0.345 156 Y C 0.072 175.961 175.900 -0.017 0.000 1.014 156 Y CA -0.349 57.737 58.100 -0.023 0.000 1.063 156 Y CB 1.177 39.618 38.460 -0.031 0.000 1.272 156 Y HN 0.437 nan 8.280 nan 0.000 0.477 157 E N 1.119 121.413 120.200 0.157 0.000 2.246 157 E HA -0.179 4.170 4.350 -0.000 0.000 0.173 157 E C -2.579 174.053 176.600 0.053 0.000 1.532 157 E CA 0.133 56.583 56.400 0.084 0.000 0.672 157 E CB -1.329 28.415 29.700 0.074 0.000 1.078 157 E HN 0.373 nan 8.360 nan 0.000 0.338 158 P HA 0.315 nan 4.420 nan 0.000 0.285 158 P C -0.001 177.289 177.300 -0.016 0.000 1.269 158 P CA -0.965 62.147 63.100 0.019 0.000 0.844 158 P CB 0.911 32.618 31.700 0.011 0.000 1.094 159 L N 1.466 122.667 121.223 -0.036 0.000 2.455 159 L HA 0.178 4.518 4.340 -0.000 0.000 0.272 159 L C 0.040 176.838 176.870 -0.120 0.000 1.174 159 L CA 0.936 55.693 54.840 -0.138 0.000 0.869 159 L CB -0.367 41.634 42.059 -0.095 0.000 1.130 159 L HN 0.351 nan 8.230 nan 0.000 0.474 160 E N 3.660 123.750 120.200 -0.184 0.000 2.256 160 E HA 0.589 4.939 4.350 -0.000 0.000 0.268 160 E C -1.559 174.939 176.600 -0.171 0.000 0.877 160 E CA -0.783 55.543 56.400 -0.124 0.000 0.757 160 E CB 2.413 32.059 29.700 -0.089 0.000 1.183 160 E HN 0.416 nan 8.360 nan 0.000 0.418 161 V N 4.152 123.970 119.914 -0.160 0.000 2.638 161 V HA 0.406 4.526 4.120 -0.000 0.000 0.306 161 V C -0.658 175.269 176.094 -0.278 0.000 1.052 161 V CA -0.703 61.441 62.300 -0.259 0.000 0.885 161 V CB 1.601 33.197 31.823 -0.378 0.000 0.999 161 V HN 0.529 nan 8.190 nan 0.000 0.424 162 L N 4.641 125.733 121.223 -0.218 0.000 2.322 162 L HA 0.612 4.952 4.340 -0.000 0.000 0.281 162 L C -0.327 176.456 176.870 -0.146 0.000 1.014 162 L CA -0.533 54.230 54.840 -0.127 0.000 0.815 162 L CB 1.549 43.601 42.059 -0.012 0.000 1.247 162 L HN 0.691 nan 8.230 nan 0.000 0.421 163 H N 4.504 123.441 119.070 -0.223 0.000 2.495 163 H HA 0.564 5.120 4.556 -0.000 0.000 0.348 163 H C -1.407 173.911 175.328 -0.017 0.000 1.113 163 H CA -0.722 55.218 56.048 -0.180 0.000 1.195 163 H CB 2.086 31.719 29.762 -0.215 0.000 1.521 163 H HN 0.510 nan 8.280 nan 0.000 0.509 164 I N 7.860 128.163 120.570 -0.445 0.000 2.439 164 I HA 0.225 4.395 4.170 -0.000 0.000 0.283 164 I C -2.371 173.384 176.117 -0.604 0.000 1.023 164 I CA -2.084 58.946 61.300 -0.451 0.000 1.100 164 I CB 2.143 39.958 38.000 -0.308 0.000 1.238 164 I HN 0.405 nan 8.210 nan 0.000 0.445 165 P HA 0.141 nan 4.420 nan 0.000 0.272 165 P C -0.742 176.367 177.300 -0.319 0.000 1.223 165 P CA -0.132 62.754 63.100 -0.356 0.000 0.784 165 P CB 1.365 32.967 31.700 -0.163 0.000 0.923 166 I N 3.567 123.942 120.570 -0.324 0.000 2.337 166 I HA 0.080 4.250 4.170 -0.000 0.000 0.285 166 I C 0.898 176.723 176.117 -0.487 0.000 1.041 166 I CA -0.301 60.646 61.300 -0.589 0.000 1.199 166 I CB 0.477 38.064 38.000 -0.690 0.000 1.370 166 I HN 0.384 nan 8.210 nan 0.000 0.470 167 D N 5.458 125.660 120.400 -0.330 0.000 2.427 167 D HA 0.057 4.697 4.640 -0.000 0.000 0.224 167 D C -0.034 176.242 176.300 -0.040 0.000 1.157 167 D CA -0.164 53.751 54.000 -0.142 0.000 0.828 167 D CB -0.292 40.483 40.800 -0.041 0.000 0.974 167 D HN 0.251 nan 8.370 nan 0.000 0.498 168 F N -0.479 119.394 119.950 -0.128 0.000 2.611 168 F HA 0.642 5.169 4.527 -0.000 0.000 0.324 168 F C -0.067 175.672 175.800 -0.102 0.000 1.061 168 F CA -2.018 55.911 58.000 -0.118 0.000 0.954 168 F CB 0.878 39.784 39.000 -0.157 0.000 1.301 168 F HN -0.281 nan 8.300 nan 0.000 0.482 169 K N 1.323 121.822 120.400 0.165 0.000 2.379 169 K HA 0.513 4.833 4.320 -0.000 0.000 0.284 169 K C -1.382 175.286 176.600 0.114 0.000 1.044 169 K CA -0.228 56.104 56.287 0.075 0.000 0.974 169 K CB 1.337 33.888 32.500 0.085 0.000 0.962 169 K HN 0.774 nan 8.250 nan 0.000 0.474 170 L N 3.636 124.868 121.223 0.015 0.000 2.485 170 L HA 0.326 4.665 4.340 -0.000 0.000 0.260 170 L C -1.519 175.445 176.870 0.156 0.000 0.998 170 L CA -0.344 54.533 54.840 0.062 0.000 0.883 170 L CB 1.122 43.103 42.059 -0.129 0.000 1.196 170 L HN 0.741 nan 8.230 nan 0.000 0.443 171 D N 5.096 125.627 120.400 0.218 0.000 2.389 171 D HA 0.357 4.997 4.640 -0.000 0.000 0.247 171 D C -0.133 176.342 176.300 0.291 0.000 1.128 171 D CA 0.647 54.774 54.000 0.212 0.000 0.884 171 D CB 1.588 42.505 40.800 0.195 0.000 1.194 171 D HN 0.404 nan 8.370 nan 0.000 0.441 172 I N 2.163 122.850 120.570 0.194 0.000 2.545 172 I HA 0.323 4.493 4.170 -0.000 0.000 0.292 172 I C -0.380 175.765 176.117 0.046 0.000 1.040 172 I CA -0.767 60.607 61.300 0.122 0.000 1.068 172 I CB 1.905 39.975 38.000 0.118 0.000 1.251 172 I HN 0.029 nan 8.210 nan 0.000 0.424 173 L N 6.141 127.355 121.223 -0.015 0.000 2.346 173 L HA 0.594 4.934 4.340 -0.000 0.000 0.276 173 L C -0.910 175.936 176.870 -0.040 0.000 1.006 173 L CA -0.773 54.066 54.840 -0.002 0.000 0.817 173 L CB 2.191 44.263 42.059 0.021 0.000 1.272 173 L HN 0.360 nan 8.230 nan 0.000 0.421 174 I N 2.566 123.125 120.570 -0.018 0.000 2.466 174 I HA 0.509 4.679 4.170 -0.000 0.000 0.289 174 I C -0.026 176.082 176.117 -0.015 0.000 1.026 174 I CA -0.492 60.789 61.300 -0.032 0.000 1.078 174 I CB 1.872 39.855 38.000 -0.029 0.000 1.249 174 I HN 0.576 nan 8.210 nan 0.000 0.429 175 A N 7.716 130.519 122.820 -0.030 0.000 2.288 175 A HA 0.820 5.140 4.320 -0.000 0.000 0.320 175 A C -0.428 177.067 177.584 -0.149 0.000 1.217 175 A CA -0.447 51.576 52.037 -0.024 0.000 0.840 175 A CB 0.618 19.643 19.000 0.043 0.000 1.179 175 A HN 0.637 nan 8.150 nan 0.000 0.504 176 I N 4.256 124.746 120.570 -0.133 0.000 2.428 176 I HA 0.256 4.426 4.170 -0.000 0.000 0.279 176 I C -2.432 173.547 176.117 -0.231 0.000 1.040 176 I CA -1.935 59.260 61.300 -0.174 0.000 1.171 176 I CB 1.697 39.652 38.000 -0.076 0.000 1.312 176 I HN 0.391 nan 8.210 nan 0.000 0.470 177 P HA 0.095 nan 4.420 nan 0.000 0.269 177 P C 0.322 177.584 177.300 -0.062 0.000 1.215 177 P CA -0.125 62.745 63.100 -0.384 0.000 0.780 177 P CB 0.653 32.037 31.700 -0.527 0.000 0.898 178 N N 0.787 119.533 118.700 0.076 0.000 2.457 178 N HA -0.017 4.723 4.740 -0.000 0.000 0.180 178 N C 0.884 176.410 175.510 0.028 0.000 1.050 178 N CA 0.457 53.538 53.050 0.051 0.000 0.906 178 N CB -0.468 38.064 38.487 0.075 0.000 0.968 178 N HN 0.481 nan 8.380 nan 0.000 0.445 179 I N -0.959 119.627 120.570 0.028 0.000 3.079 179 I HA 0.230 4.399 4.170 -0.000 0.000 0.295 179 I C 0.509 176.618 176.117 -0.014 0.000 1.094 179 I CA -0.702 60.606 61.300 0.014 0.000 1.295 179 I CB 0.981 38.995 38.000 0.025 0.000 1.443 179 I HN -0.132 nan 8.210 nan 0.000 0.607 180 S N 3.415 119.109 115.700 -0.011 0.000 2.638 180 S HA 0.777 5.247 4.470 -0.000 0.000 0.302 180 S C -0.742 173.845 174.600 -0.021 0.000 1.096 180 S CA -0.841 57.347 58.200 -0.020 0.000 0.953 180 S CB 1.893 65.087 63.200 -0.010 0.000 1.107 180 S HN 0.626 nan 8.310 nan 0.000 0.503 181 I N 2.044 122.598 120.570 -0.027 0.000 2.499 181 I HA 0.343 4.513 4.170 -0.000 0.000 0.288 181 I C -0.469 175.638 176.117 -0.017 0.000 1.048 181 I CA -0.625 60.659 61.300 -0.027 0.000 1.062 181 I CB 1.998 39.971 38.000 -0.046 0.000 1.238 181 I HN 0.776 nan 8.210 nan 0.000 0.426 182 N N 4.314 123.007 118.700 -0.011 0.000 2.442 182 N HA 0.083 4.822 4.740 -0.000 0.000 0.265 182 N C 0.680 176.186 175.510 -0.007 0.000 1.138 182 N CA 0.140 53.188 53.050 -0.004 0.000 0.956 182 N CB 1.447 39.934 38.487 -0.001 0.000 1.067 182 N HN 0.588 nan 8.380 nan 0.000 0.474 183 T N 4.190 118.742 114.554 -0.004 0.000 2.720 183 T HA -0.139 4.210 4.350 -0.000 0.000 0.268 183 T C 1.611 176.301 174.700 -0.017 0.000 1.037 183 T CA 1.294 63.385 62.100 -0.015 0.000 1.144 183 T CB 0.089 68.946 68.868 -0.019 0.000 0.864 183 T HN 0.594 nan 8.240 nan 0.000 0.444 184 K N 1.049 121.444 120.400 -0.008 0.000 2.074 184 K HA -0.156 4.164 4.320 -0.000 0.000 0.209 184 K C 2.362 178.958 176.600 -0.007 0.000 1.048 184 K CA 1.477 57.759 56.287 -0.008 0.000 0.926 184 K CB -0.198 32.301 32.500 -0.001 0.000 0.713 184 K HN 0.520 nan 8.250 nan 0.000 0.444 185 E N 0.650 120.846 120.200 -0.007 0.000 2.072 185 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 185 E C 2.118 178.712 176.600 -0.011 0.000 0.985 185 E CA 0.830 57.225 56.400 -0.008 0.000 0.801 185 E CB -0.121 29.575 29.700 -0.007 0.000 0.750 185 E HN 0.327 nan 8.360 nan 0.000 0.452 186 A N 1.533 124.345 122.820 -0.013 0.000 2.024 186 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 186 A C 2.036 179.613 177.584 -0.011 0.000 1.164 186 A CA 1.235 53.262 52.037 -0.017 0.000 0.643 186 A CB -0.320 18.669 19.000 -0.018 0.000 0.806 186 A HN 0.084 nan 8.150 nan 0.000 0.451 187 R N -0.529 119.972 120.500 0.000 0.000 2.127 187 R HA -0.005 4.334 4.340 -0.000 0.000 0.217 187 R C 1.873 178.170 176.300 -0.004 0.000 1.074 187 R CA 1.062 57.172 56.100 0.016 0.000 0.991 187 R CB -0.170 30.145 30.300 0.026 0.000 0.895 187 R HN 0.666 nan 8.270 nan 0.000 0.450 188 E N 1.288 121.482 120.200 -0.009 0.000 2.150 188 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 188 E C 1.927 178.516 176.600 -0.019 0.000 0.985 188 E CA 1.152 57.544 56.400 -0.012 0.000 0.814 188 E CB -0.172 29.522 29.700 -0.009 0.000 0.752 188 E HN 0.489 nan 8.360 nan 0.000 0.466 189 I N -0.820 119.737 120.570 -0.023 0.000 3.444 189 I HA 0.035 4.205 4.170 -0.000 0.000 0.287 189 I C 0.675 176.766 176.117 -0.043 0.000 1.302 189 I CA 0.067 61.351 61.300 -0.027 0.000 1.368 189 I CB -0.197 37.790 38.000 -0.022 0.000 1.048 189 I HN -0.116 nan 8.210 nan 0.000 0.487 190 L N 2.039 123.228 121.223 -0.057 0.000 2.436 190 L HA 0.362 4.701 4.340 -0.000 0.000 0.265 190 L C -1.869 174.955 176.870 -0.076 0.000 1.168 190 L CA -1.823 52.961 54.840 -0.094 0.000 0.815 190 L CB -0.315 41.660 42.059 -0.141 0.000 1.109 190 L HN -0.060 nan 8.230 nan 0.000 0.462 191 P HA 0.021 nan 4.420 nan 0.000 0.267 191 P C -0.151 177.116 177.300 -0.056 0.000 1.200 191 P CA -0.181 62.880 63.100 -0.065 0.000 0.772 191 P CB 0.494 32.149 31.700 -0.074 0.000 0.855 192 K N 0.674 121.052 120.400 -0.037 0.000 2.365 192 K HA 0.268 4.588 4.320 -0.000 0.000 0.197 192 K C 0.651 177.236 176.600 -0.024 0.000 1.042 192 K CA 0.501 56.772 56.287 -0.026 0.000 0.987 192 K CB 0.191 32.680 32.500 -0.019 0.000 0.779 192 K HN 0.546 nan 8.250 nan 0.000 0.484 193 A N 0.640 123.442 122.820 -0.030 0.000 2.572 193 A HA 0.582 4.902 4.320 -0.000 0.000 0.295 193 A C -0.855 176.708 177.584 -0.034 0.000 1.072 193 A CA -0.756 51.265 52.037 -0.026 0.000 0.691 193 A CB 1.616 20.604 19.000 -0.019 0.000 1.291 193 A HN -0.071 nan 8.150 nan 0.000 0.404 194 V N -0.732 119.163 119.914 -0.031 0.000 2.914 194 V HA 0.955 5.075 4.120 -0.000 0.000 0.314 194 V C 0.457 176.535 176.094 -0.027 0.000 1.084 194 V CA -0.172 62.106 62.300 -0.036 0.000 0.963 194 V CB 1.320 33.117 31.823 -0.045 0.000 1.025 194 V HN 1.711 nan 8.190 nan 0.000 0.432 195 G N 1.224 110.007 108.800 -0.028 0.000 2.483 195 G HA2 0.362 4.322 3.960 -0.000 0.000 0.248 195 G HA3 0.362 4.322 3.960 -0.000 0.000 0.248 195 G C 0.588 175.475 174.900 -0.022 0.000 1.248 195 G CA -0.477 44.609 45.100 -0.023 0.000 0.838 195 G HN 1.024 nan 8.290 nan 0.000 0.566 196 L N 0.572 121.785 121.223 -0.018 0.000 2.089 196 L HA -0.182 4.157 4.340 -0.000 0.000 0.213 196 L C 2.994 179.852 176.870 -0.019 0.000 1.079 196 L CA 1.957 56.787 54.840 -0.016 0.000 0.758 196 L CB -0.123 41.928 42.059 -0.013 0.000 0.891 196 L HN 0.760 nan 8.230 nan 0.000 0.433 197 K N -0.292 120.095 120.400 -0.021 0.000 2.147 197 K HA -0.205 4.115 4.320 -0.000 0.000 0.205 197 K C 1.504 178.086 176.600 -0.030 0.000 1.049 197 K CA 1.669 57.941 56.287 -0.025 0.000 0.936 197 K CB 0.035 32.521 32.500 -0.024 0.000 0.722 197 K HN 0.381 nan 8.250 nan 0.000 0.446 198 D N 0.817 121.199 120.400 -0.031 0.000 2.162 198 D HA -0.133 4.507 4.640 -0.000 0.000 0.203 198 D C 1.927 178.206 176.300 -0.035 0.000 0.967 198 D CA 0.570 54.548 54.000 -0.037 0.000 0.840 198 D CB -0.058 40.718 40.800 -0.041 0.000 0.972 198 D HN 0.171 nan 8.370 nan 0.000 0.482 199 L N 1.117 122.323 121.223 -0.028 0.000 1.989 199 L HA -0.165 4.175 4.340 -0.000 0.000 0.211 199 L C 2.229 179.085 176.870 -0.024 0.000 1.071 199 L CA 1.519 56.346 54.840 -0.021 0.000 0.749 199 L CB -0.631 41.420 42.059 -0.013 0.000 0.890 199 L HN -0.165 nan 8.230 nan 0.000 0.431 200 V N 0.357 120.255 119.914 -0.027 0.000 2.343 200 V HA -0.299 3.821 4.120 -0.000 0.000 0.247 200 V C 2.462 178.527 176.094 -0.047 0.000 1.051 200 V CA 1.987 64.269 62.300 -0.031 0.000 1.036 200 V CB -1.041 30.765 31.823 -0.029 0.000 0.654 200 V HN 0.672 nan 8.190 nan 0.000 0.451 201 N N 0.809 119.477 118.700 -0.054 0.000 2.058 201 N HA -0.179 4.560 4.740 -0.000 0.000 0.191 201 N C 1.575 177.033 175.510 -0.087 0.000 1.037 201 N CA 2.034 55.038 53.050 -0.077 0.000 0.848 201 N CB -0.260 38.187 38.487 -0.067 0.000 1.021 201 N HN 0.437 nan 8.380 nan 0.000 0.422 202 N N -0.455 118.208 118.700 -0.063 0.000 2.188 202 N HA -0.066 4.673 4.740 -0.000 0.000 0.184 202 N C 1.632 177.111 175.510 -0.051 0.000 1.018 202 N CA 0.719 53.733 53.050 -0.060 0.000 0.858 202 N CB -0.396 38.063 38.487 -0.046 0.000 0.989 202 N HN 0.078 nan 8.380 nan 0.000 0.426 203 V N 0.350 120.242 119.914 -0.035 0.000 2.295 203 V HA -0.147 3.973 4.120 -0.000 0.000 0.246 203 V C 2.313 178.402 176.094 -0.010 0.000 1.049 203 V CA 2.111 64.405 62.300 -0.011 0.000 1.024 203 V CB -1.198 30.623 31.823 -0.002 0.000 0.648 203 V HN 0.383 nan 8.190 nan 0.000 0.447 204 G N -0.301 108.470 108.800 -0.048 0.000 2.418 204 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.217 204 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.217 204 G C 1.649 176.471 174.900 -0.129 0.000 1.158 204 G CA 0.577 45.631 45.100 -0.076 0.000 0.771 204 G HN 0.359 nan 8.290 nan 0.000 0.545 205 K N 0.928 121.205 120.400 -0.205 0.000 2.097 205 K HA 0.117 4.437 4.320 -0.000 0.000 0.205 205 K C 2.845 179.463 176.600 0.031 0.000 1.050 205 K CA 1.107 57.206 56.287 -0.313 0.000 0.938 205 K CB -0.698 31.628 32.500 -0.289 0.000 0.718 205 K HN 0.270 nan 8.250 nan 0.000 0.442 206 A N 0.889 123.756 122.820 0.078 0.000 1.898 206 A HA -0.157 4.162 4.320 -0.000 0.000 0.216 206 A C 2.623 180.446 177.584 0.399 0.000 1.181 206 A CA 1.520 53.713 52.037 0.260 0.000 0.620 206 A CB -0.976 18.036 19.000 0.020 0.000 0.819 206 A HN 0.354 nan 8.150 nan 0.000 0.442 207 C N -0.856 118.591 119.300 0.245 0.000 2.425 207 C HA 0.002 4.462 4.460 -0.000 0.000 0.277 207 C C 2.942 178.107 174.990 0.292 0.000 1.280 207 C CA 0.572 59.742 59.018 0.254 0.000 1.744 207 C CB -1.598 26.235 27.740 0.155 0.000 1.989 207 C HN 0.711 nan 8.230 nan 0.000 0.491 208 G N 0.005 108.979 108.800 0.291 0.000 2.422 208 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.218 208 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.218 208 G C 1.597 176.782 174.900 0.474 0.000 1.146 208 G CA 0.602 45.970 45.100 0.446 0.000 0.769 208 G HN 0.506 nan 8.290 nan 0.000 0.547 209 M N 0.016 119.884 119.600 0.448 0.000 2.175 209 M HA -0.034 4.446 4.480 -0.000 0.000 0.264 209 M C 2.631 179.084 176.300 0.256 0.000 1.063 209 M CA 0.776 56.274 55.300 0.330 0.000 1.119 209 M CB -0.175 32.558 32.600 0.222 0.000 1.377 209 M HN 0.109 nan 8.290 nan 0.000 0.415 210 V N -0.671 119.394 119.914 0.251 0.000 2.307 210 V HA -0.292 3.828 4.120 -0.000 0.000 0.245 210 V C 2.109 178.361 176.094 0.265 0.000 1.045 210 V CA 1.925 64.321 62.300 0.160 0.000 1.024 210 V CB -0.879 31.119 31.823 0.292 0.000 0.651 210 V HN 0.457 nan 8.190 nan 0.000 0.449 211 Y N 1.469 121.888 120.300 0.198 0.000 2.165 211 Y HA -0.265 4.285 4.550 -0.000 0.000 0.286 211 Y C 2.365 178.322 175.900 0.096 0.000 1.155 211 Y CA 1.779 59.984 58.100 0.176 0.000 1.164 211 Y CB -0.399 38.142 38.460 0.134 0.000 0.978 211 Y HN 0.160 nan 8.280 nan 0.000 0.513 212 A N 0.507 123.499 122.820 0.287 0.000 1.902 212 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 212 A C 2.256 179.749 177.584 -0.151 0.000 1.181 212 A CA 1.856 53.941 52.037 0.081 0.000 0.623 212 A CB -1.099 17.991 19.000 0.150 0.000 0.818 212 A HN 0.585 nan 8.150 nan 0.000 0.443 213 L N -2.345 118.754 121.223 -0.207 0.000 2.056 213 L HA -0.194 4.146 4.340 -0.000 0.000 0.207 213 L C 2.518 179.181 176.870 -0.345 0.000 1.078 213 L CA 1.432 56.038 54.840 -0.390 0.000 0.749 213 L CB -0.661 41.005 42.059 -0.655 0.000 0.901 213 L HN 0.476 nan 8.230 nan 0.000 0.433 214 Y N -0.293 119.875 120.300 -0.221 0.000 2.421 214 Y HA -0.142 4.408 4.550 -0.000 0.000 0.292 214 Y C 2.129 177.853 175.900 -0.294 0.000 1.136 214 Y CA 0.909 58.877 58.100 -0.220 0.000 1.255 214 Y CB -0.099 38.237 38.460 -0.206 0.000 0.991 214 Y HN 0.260 nan 8.280 nan 0.000 0.552 215 N N 0.226 118.769 118.700 -0.262 0.000 2.230 215 N HA 0.010 4.750 4.740 -0.000 0.000 0.202 215 N C -0.267 175.024 175.510 -0.367 0.000 1.119 215 N CA 0.225 53.077 53.050 -0.330 0.000 0.851 215 N CB 0.243 38.445 38.487 -0.475 0.000 0.990 215 N HN 0.241 nan 8.380 nan 0.000 0.497 216 K N 1.108 121.212 120.400 -0.493 0.000 3.071 216 K HA -0.173 4.147 4.320 -0.000 0.000 0.262 216 K C -0.673 175.472 176.600 -0.758 0.000 0.977 216 K CA 0.504 56.231 56.287 -0.933 0.000 0.721 216 K CB -1.088 30.885 32.500 -0.879 0.000 1.293 216 K HN 0.172 nan 8.250 nan 0.000 0.475 217 D N 1.005 121.103 120.400 -0.504 0.000 2.485 217 D HA 0.153 4.792 4.640 -0.000 0.000 0.221 217 D C 0.730 176.826 176.300 -0.341 0.000 1.112 217 D CA -0.301 53.490 54.000 -0.349 0.000 0.911 217 D CB 0.763 41.451 40.800 -0.186 0.000 1.019 217 D HN 0.115 nan 8.370 nan 0.000 0.516 218 K N 0.664 120.765 120.400 -0.499 0.000 2.097 218 K HA -0.080 4.240 4.320 -0.000 0.000 0.206 218 K C 1.919 178.296 176.600 -0.371 0.000 1.049 218 K CA 0.854 56.788 56.287 -0.588 0.000 0.933 218 K CB 0.219 31.989 32.500 -1.216 0.000 0.717 218 K HN 0.174 nan 8.250 nan 0.000 0.442 219 S N 1.396 116.949 115.700 -0.245 0.000 2.356 219 S HA -0.137 4.333 4.470 -0.000 0.000 0.223 219 S C 1.841 176.448 174.600 0.010 0.000 1.032 219 S CA 1.063 59.319 58.200 0.093 0.000 1.005 219 S CB -0.237 63.039 63.200 0.127 0.000 0.867 219 S HN 0.175 nan 8.310 nan 0.000 0.449 220 L N 0.839 122.004 121.223 -0.095 0.000 2.027 220 L HA 0.029 4.368 4.340 -0.000 0.000 0.206 220 L C 1.940 178.684 176.870 -0.210 0.000 1.074 220 L CA 1.605 56.292 54.840 -0.254 0.000 0.745 220 L CB -0.802 41.108 42.059 -0.250 0.000 0.898 220 L HN 0.278 nan 8.230 nan 0.000 0.433 221 F N 0.310 120.135 119.950 -0.209 0.000 2.069 221 F HA -0.130 4.396 4.527 -0.000 0.000 0.298 221 F C 2.216 178.013 175.800 -0.005 0.000 1.113 221 F CA 2.022 59.946 58.000 -0.127 0.000 1.214 221 F CB -0.964 37.899 39.000 -0.228 0.000 0.978 221 F HN 0.137 nan 8.300 nan 0.000 0.474 222 G N -0.403 108.490 108.800 0.155 0.000 2.408 222 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.217 222 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.217 222 G C 1.786 176.780 174.900 0.156 0.000 1.150 222 G CA 0.735 45.961 45.100 0.210 0.000 0.776 222 G HN 0.378 nan 8.290 nan 0.000 0.542 223 R N -0.798 119.772 120.500 0.117 0.000 2.075 223 R HA 0.004 4.344 4.340 -0.000 0.000 0.232 223 R C 2.229 178.674 176.300 0.242 0.000 1.126 223 R CA 1.027 57.212 56.100 0.141 0.000 0.963 223 R CB -0.432 29.922 30.300 0.089 0.000 0.858 223 R HN 0.545 nan 8.270 nan 0.000 0.435 224 Y N -0.087 120.225 120.300 0.021 0.000 2.242 224 Y HA -0.239 4.311 4.550 -0.000 0.000 0.291 224 Y C 2.550 178.444 175.900 -0.010 0.000 1.137 224 Y CA 0.717 58.820 58.100 0.005 0.000 1.181 224 Y CB -0.084 38.379 38.460 0.004 0.000 0.989 224 Y HN 0.207 nan 8.280 nan 0.000 0.527 225 M N 0.073 119.734 119.600 0.102 0.000 2.202 225 M HA -0.266 4.214 4.480 -0.000 0.000 0.262 225 M C 1.459 177.830 176.300 0.117 0.000 1.063 225 M CA 1.718 57.050 55.300 0.053 0.000 1.097 225 M CB -0.087 32.507 32.600 -0.009 0.000 1.382 225 M HN 0.245 nan 8.290 nan 0.000 0.413 226 M N -0.822 118.860 119.600 0.136 0.000 2.568 226 M HA 0.039 4.519 4.480 -0.000 0.000 0.226 226 M C 0.766 177.131 176.300 0.107 0.000 1.148 226 M CA 0.133 55.511 55.300 0.130 0.000 1.007 226 M CB 0.112 32.789 32.600 0.130 0.000 1.651 226 M HN 0.120 nan 8.290 nan 0.000 0.488 227 S N -0.224 115.530 115.700 0.090 0.000 2.577 227 S HA 0.032 4.502 4.470 -0.000 0.000 0.219 227 S C 0.173 174.787 174.600 0.023 0.000 0.962 227 S CA -0.240 57.990 58.200 0.049 0.000 0.921 227 S CB -0.280 62.930 63.200 0.016 0.000 0.789 227 S HN 0.427 nan 8.310 nan 0.000 0.497 228 D N 1.937 122.359 120.400 0.036 0.000 2.351 228 D HA 0.165 4.804 4.640 -0.000 0.000 0.251 228 D C 0.533 176.843 176.300 0.017 0.000 1.137 228 D CA 0.281 54.289 54.000 0.013 0.000 0.879 228 D CB 0.650 41.461 40.800 0.017 0.000 1.181 228 D HN -0.007 nan 8.370 nan 0.000 0.448 229 K N 2.405 122.800 120.400 -0.009 0.000 2.402 229 K HA 0.143 4.463 4.320 -0.000 0.000 0.204 229 K C 0.865 177.447 176.600 -0.030 0.000 1.056 229 K CA -0.121 56.162 56.287 -0.007 0.000 1.069 229 K CB 1.057 33.549 32.500 -0.013 0.000 0.888 229 K HN 0.238 nan 8.250 nan 0.000 0.546 230 V N 0.248 120.126 119.914 -0.060 0.000 2.521 230 V HA -0.026 4.094 4.120 -0.000 0.000 0.239 230 V C 1.599 177.605 176.094 -0.147 0.000 1.053 230 V CA 1.097 63.335 62.300 -0.104 0.000 1.073 230 V CB 0.069 31.811 31.823 -0.136 0.000 0.746 230 V HN 0.111 nan 8.190 nan 0.000 0.476 231 I N -0.810 119.650 120.570 -0.183 0.000 2.947 231 I HA 0.049 4.219 4.170 -0.000 0.000 0.263 231 I C 2.382 178.439 176.117 -0.099 0.000 1.130 231 I CA 0.764 61.924 61.300 -0.234 0.000 1.448 231 I CB -0.324 37.402 38.000 -0.456 0.000 1.222 231 I HN 0.151 nan 8.210 nan 0.000 0.453 232 E N 1.860 122.040 120.200 -0.034 0.000 2.085 232 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 232 E C -0.638 176.036 176.600 0.123 0.000 0.994 232 E CA 1.778 58.198 56.400 0.033 0.000 0.801 232 E CB -1.005 28.751 29.700 0.092 0.000 0.743 232 E HN 0.254 nan 8.360 nan 0.000 0.453 233 P HA -0.076 nan 4.420 nan 0.000 0.223 233 P C 1.560 178.992 177.300 0.220 0.000 1.151 233 P CA 0.744 64.000 63.100 0.260 0.000 0.787 233 P CB 0.131 31.903 31.700 0.122 0.000 0.788 234 V N -0.360 119.604 119.914 0.083 0.000 2.273 234 V HA -0.148 3.972 4.120 -0.000 0.000 0.242 234 V C 2.373 178.488 176.094 0.035 0.000 1.035 234 V CA 1.686 64.012 62.300 0.043 0.000 1.013 234 V CB -0.904 30.904 31.823 -0.024 0.000 0.652 234 V HN -0.081 nan 8.190 nan 0.000 0.452 235 R N 0.843 121.328 120.500 -0.025 0.000 2.120 235 R HA -0.057 4.282 4.340 -0.000 0.000 0.234 235 R C 2.311 178.528 176.300 -0.139 0.000 1.123 235 R CA 1.276 57.328 56.100 -0.080 0.000 0.975 235 R CB -1.103 29.126 30.300 -0.119 0.000 0.866 235 R HN 0.574 nan 8.270 nan 0.000 0.446 236 G N 0.697 109.416 108.800 -0.136 0.000 2.450 236 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.220 236 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.220 236 G C 0.973 175.816 174.900 -0.094 0.000 1.130 236 G CA 0.592 45.465 45.100 -0.378 0.000 0.760 236 G HN 0.307 nan 8.290 nan 0.000 0.557 237 K N -0.146 120.396 120.400 0.237 0.000 2.515 237 K HA 0.164 4.484 4.320 -0.000 0.000 0.196 237 K C 1.823 178.490 176.600 0.111 0.000 1.038 237 K CA 0.166 56.623 56.287 0.283 0.000 0.967 237 K CB -0.046 32.590 32.500 0.226 0.000 0.780 237 K HN 0.335 nan 8.250 nan 0.000 0.483 238 L N 0.564 121.797 121.223 0.016 0.000 2.567 238 L HA 0.170 4.510 4.340 -0.000 0.000 0.225 238 L C 0.547 177.404 176.870 -0.021 0.000 1.119 238 L CA 0.090 54.926 54.840 -0.006 0.000 0.871 238 L CB 0.157 42.192 42.059 -0.041 0.000 1.036 238 L HN 0.054 nan 8.230 nan 0.000 0.459 239 I N 1.022 121.560 120.570 -0.054 0.000 2.328 239 I HA 0.282 4.451 4.170 -0.000 0.000 0.287 239 I C -2.234 173.930 176.117 0.079 0.000 1.012 239 I CA -2.079 59.196 61.300 -0.042 0.000 1.195 239 I CB 1.153 39.030 38.000 -0.206 0.000 1.350 239 I HN -0.273 nan 8.210 nan 0.000 0.464 240 P HA 0.008 nan 4.420 nan 0.000 0.261 240 P C 0.051 177.466 177.300 0.191 0.000 1.183 240 P CA 0.469 63.675 63.100 0.176 0.000 0.761 240 P CB 0.218 32.035 31.700 0.195 0.000 0.785 241 N N 0.489 119.258 118.700 0.115 0.000 2.863 241 N HA -0.288 4.452 4.740 -0.000 0.000 0.245 241 N C 0.805 176.275 175.510 -0.066 0.000 1.001 241 N CA 0.975 54.026 53.050 0.002 0.000 0.901 241 N CB -1.860 36.572 38.487 -0.092 0.000 1.124 241 N HN 0.531 nan 8.380 nan 0.000 0.582 242 Y N 0.666 120.884 120.300 -0.137 0.000 2.128 242 Y HA -0.149 4.401 4.550 -0.000 0.000 0.284 242 Y C 2.085 177.802 175.900 -0.305 0.000 1.154 242 Y CA 2.142 60.073 58.100 -0.281 0.000 1.149 242 Y CB -0.772 37.412 38.460 -0.460 0.000 0.976 242 Y HN 0.166 nan 8.280 nan 0.000 0.505 243 F N 0.264 120.110 119.950 -0.174 0.000 2.259 243 F HA -0.079 4.448 4.527 -0.000 0.000 0.298 243 F C 2.538 178.189 175.800 -0.249 0.000 1.088 243 F CA 1.532 59.358 58.000 -0.290 0.000 1.358 243 F CB -0.381 38.563 39.000 -0.094 0.000 1.040 243 F HN -0.058 nan 8.300 nan 0.000 0.505 244 K N 1.078 121.457 120.400 -0.036 0.000 2.057 244 K HA -0.148 4.172 4.320 -0.000 0.000 0.207 244 K C 1.959 178.430 176.600 -0.216 0.000 1.049 244 K CA 1.344 57.576 56.287 -0.091 0.000 0.931 244 K CB -0.257 32.200 32.500 -0.072 0.000 0.714 244 K HN 0.219 nan 8.250 nan 0.000 0.440 245 I N 1.120 121.460 120.570 -0.384 0.000 2.179 245 I HA -0.309 3.861 4.170 -0.000 0.000 0.242 245 I C 2.173 178.143 176.117 -0.245 0.000 1.088 245 I CA 1.390 62.462 61.300 -0.381 0.000 1.357 245 I CB -0.189 37.581 38.000 -0.384 0.000 1.051 245 I HN 0.156 nan 8.210 nan 0.000 0.409 246 K N 0.353 120.558 120.400 -0.326 0.000 2.063 246 K HA -0.274 4.046 4.320 -0.000 0.000 0.208 246 K C 2.083 178.600 176.600 -0.138 0.000 1.048 246 K CA 1.884 58.016 56.287 -0.259 0.000 0.928 246 K CB -0.179 32.110 32.500 -0.351 0.000 0.713 246 K HN 0.167 nan 8.250 nan 0.000 0.442 247 E N 1.321 121.455 120.200 -0.110 0.000 2.106 247 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 247 E C 1.778 178.343 176.600 -0.059 0.000 0.984 247 E CA 1.389 57.751 56.400 -0.064 0.000 0.806 247 E CB 0.042 29.719 29.700 -0.039 0.000 0.750 247 E HN 0.274 nan 8.360 nan 0.000 0.458 248 E N -0.522 119.644 120.200 -0.057 0.000 2.150 248 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 248 E C 1.550 178.121 176.600 -0.049 0.000 0.985 248 E CA 1.372 57.756 56.400 -0.027 0.000 0.814 248 E CB 0.166 29.883 29.700 0.028 0.000 0.752 248 E HN 0.305 nan 8.360 nan 0.000 0.466 249 V N -2.049 117.825 119.914 -0.068 0.000 3.542 249 V HA 0.168 4.288 4.120 -0.000 0.000 0.296 249 V C 1.765 177.790 176.094 -0.114 0.000 1.364 249 V CA 0.262 62.511 62.300 -0.085 0.000 1.118 249 V CB 0.099 31.890 31.823 -0.053 0.000 0.972 249 V HN 0.097 nan 8.190 nan 0.000 0.430 250 K N 1.475 121.816 120.400 -0.099 0.000 2.066 250 K HA -0.300 4.020 4.320 -0.000 0.000 0.221 250 K C 1.343 177.877 176.600 -0.110 0.000 1.056 250 K CA 2.734 58.970 56.287 -0.086 0.000 0.950 250 K CB -0.208 32.251 32.500 -0.069 0.000 0.726 250 K HN 0.623 nan 8.250 nan 0.000 0.456 251 D N -0.764 119.530 120.400 -0.176 0.000 2.363 251 D HA 0.029 4.669 4.640 -0.000 0.000 0.214 251 D C 0.537 176.612 176.300 -0.374 0.000 1.093 251 D CA 0.357 54.231 54.000 -0.211 0.000 0.837 251 D CB 0.538 41.228 40.800 -0.183 0.000 0.948 251 D HN 0.303 nan 8.370 nan 0.000 0.507 252 K N 0.378 120.528 120.400 -0.417 0.000 2.358 252 K HA 0.121 4.440 4.320 -0.000 0.000 0.197 252 K C 0.536 177.027 176.600 -0.182 0.000 1.025 252 K CA 0.028 55.987 56.287 -0.545 0.000 1.104 252 K CB 1.484 33.609 32.500 -0.625 0.000 0.855 252 K HN -0.012 nan 8.250 nan 0.000 0.531 253 V N -3.026 116.803 119.914 -0.141 0.000 2.962 253 V HA 0.309 4.429 4.120 -0.000 0.000 0.313 253 V C 0.341 176.405 176.094 -0.050 0.000 1.099 253 V CA -0.966 61.297 62.300 -0.062 0.000 0.971 253 V CB 1.071 32.919 31.823 0.042 0.000 1.028 253 V HN 0.072 nan 8.190 nan 0.000 0.430 254 Y N 2.329 122.749 120.300 0.199 0.000 2.314 254 Y HA 0.520 5.070 4.550 -0.000 0.000 0.293 254 Y C 1.550 177.577 175.900 0.212 0.000 1.129 254 Y CA 1.318 59.531 58.100 0.188 0.000 1.201 254 Y CB 0.278 38.862 38.460 0.207 0.000 0.999 254 Y HN 1.016 nan 8.280 nan 0.000 0.541 255 G N -0.554 108.507 108.800 0.434 0.000 2.547 255 G HA2 0.482 4.442 3.960 -0.000 0.000 0.291 255 G HA3 0.482 4.442 3.960 -0.000 0.000 0.291 255 G C -2.168 172.906 174.900 0.289 0.000 1.471 255 G CA -0.614 44.696 45.100 0.350 0.000 0.798 255 G HN -0.010 nan 8.290 nan 0.000 0.504 256 I N -0.013 120.665 120.570 0.180 0.000 2.722 256 I HA 0.800 4.969 4.170 -0.000 0.000 0.292 256 I C -0.726 175.472 176.117 0.136 0.000 1.267 256 I CA -0.270 61.086 61.300 0.093 0.000 1.036 256 I CB 2.347 40.363 38.000 0.026 0.000 1.281 256 I HN 0.908 nan 8.210 nan 0.000 0.423 257 T N 5.850 120.492 114.554 0.147 0.000 2.665 257 T HA 0.541 4.891 4.350 -0.000 0.000 0.303 257 T C -1.236 173.549 174.700 0.140 0.000 1.334 257 T CA -0.541 61.689 62.100 0.217 0.000 1.011 257 T CB 1.054 70.034 68.868 0.186 0.000 1.573 257 T HN 0.418 nan 8.240 nan 0.000 0.492 258 I N 2.406 122.987 120.570 0.017 0.000 2.474 258 I HA 0.330 4.500 4.170 -0.000 0.000 0.287 258 I C 0.641 176.731 176.117 -0.045 0.000 1.048 258 I CA -0.220 60.987 61.300 -0.154 0.000 1.383 258 I CB 1.548 39.377 38.000 -0.286 0.000 1.412 258 I HN 0.431 nan 8.210 nan 0.000 0.531 259 S N 4.733 120.398 115.700 -0.058 0.000 2.474 259 S HA 0.510 4.980 4.470 -0.000 0.000 0.276 259 S C 0.650 175.247 174.600 -0.005 0.000 1.227 259 S CA 0.358 58.555 58.200 -0.006 0.000 1.050 259 S CB 0.215 63.404 63.200 -0.019 0.000 0.939 259 S HN 1.016 nan 8.310 nan 0.000 0.490 260 G N 4.367 113.190 108.800 0.038 0.000 2.634 260 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.309 260 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.309 260 G C 0.850 175.758 174.900 0.014 0.000 1.265 260 G CA 0.589 45.710 45.100 0.035 0.000 0.998 260 G HN 1.731 nan 8.290 nan 0.000 0.551 261 S N 1.060 116.757 115.700 -0.005 0.000 2.634 261 S HA 0.498 4.968 4.470 -0.000 0.000 0.221 261 S C 1.521 176.082 174.600 -0.065 0.000 0.952 261 S CA 0.875 59.063 58.200 -0.019 0.000 0.930 261 S CB -0.233 62.958 63.200 -0.015 0.000 0.780 261 S HN 2.746 nan 8.310 nan 0.000 0.498 262 G N 2.572 111.321 108.800 -0.086 0.000 2.757 262 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.638 262 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.638 262 G C -2.480 172.354 174.900 -0.110 0.000 1.344 262 G CA -0.347 44.670 45.100 -0.138 0.000 0.855 262 G HN 0.204 nan 8.290 nan 0.000 0.537 263 P HA 0.178 nan 4.420 nan 0.000 0.255 263 P C 0.708 177.862 177.300 -0.243 0.000 1.248 263 P CA 0.400 63.381 63.100 -0.200 0.000 0.807 263 P CB 0.203 31.798 31.700 -0.175 0.000 1.150 264 S N 0.638 116.224 115.700 -0.190 0.000 2.568 264 S HA 0.195 4.665 4.470 -0.000 0.000 0.282 264 S C 0.638 175.138 174.600 -0.166 0.000 1.338 264 S CA 0.210 58.297 58.200 -0.187 0.000 1.045 264 S CB 0.136 63.264 63.200 -0.120 0.000 0.873 264 S HN 0.046 nan 8.310 nan 0.000 0.516 265 I N 2.439 122.927 120.570 -0.137 0.000 2.433 265 I HA 0.481 4.651 4.170 -0.000 0.000 0.292 265 I C -0.372 175.709 176.117 -0.059 0.000 1.001 265 I CA -0.342 60.920 61.300 -0.063 0.000 1.119 265 I CB 1.438 39.447 38.000 0.016 0.000 1.289 265 I HN 0.509 nan 8.210 nan 0.000 0.438 266 I N 5.895 126.425 120.570 -0.067 0.000 2.378 266 I HA 0.764 4.934 4.170 -0.000 0.000 0.291 266 I C -0.580 175.379 176.117 -0.263 0.000 0.992 266 I CA -0.190 61.009 61.300 -0.168 0.000 1.154 266 I CB 1.119 39.012 38.000 -0.178 0.000 1.315 266 I HN 0.707 nan 8.210 nan 0.000 0.448 267 A N 6.692 129.322 122.820 -0.317 0.000 2.401 267 A HA 0.728 5.047 4.320 -0.000 0.000 0.310 267 A C -1.517 175.841 177.584 -0.377 0.000 1.075 267 A CA -0.442 51.437 52.037 -0.264 0.000 0.746 267 A CB 0.894 19.855 19.000 -0.064 0.000 1.277 267 A HN 0.670 nan 8.150 nan 0.000 0.425 268 F N 3.118 123.185 119.950 0.194 0.000 2.359 268 F HA 0.335 4.862 4.527 -0.000 0.000 0.370 268 F C -2.015 173.929 175.800 0.240 0.000 1.077 268 F CA -1.968 56.186 58.000 0.256 0.000 1.136 268 F CB 1.683 40.895 39.000 0.354 0.000 1.387 268 F HN 0.333 nan 8.300 nan 0.000 0.468 269 P HA 0.076 nan 4.420 nan 0.000 0.271 269 P C -0.648 176.716 177.300 0.107 0.000 1.218 269 P CA -0.397 62.799 63.100 0.159 0.000 0.780 269 P CB 1.184 32.968 31.700 0.139 0.000 0.901 270 K N 1.894 122.246 120.400 -0.081 0.000 2.355 270 K HA 0.010 4.330 4.320 -0.000 0.000 0.270 270 K C 1.438 178.079 176.600 0.068 0.000 1.003 270 K CA -0.009 56.161 56.287 -0.194 0.000 0.957 270 K CB 0.289 32.704 32.500 -0.142 0.000 0.939 270 K HN 0.355 nan 8.250 nan 0.000 0.482 271 E N 1.440 121.695 120.200 0.091 0.000 2.118 271 E HA -0.258 4.091 4.350 -0.000 0.000 0.195 271 E C 1.577 178.157 176.600 -0.033 0.000 0.992 271 E CA 1.473 57.913 56.400 0.067 0.000 0.804 271 E CB 0.036 29.782 29.700 0.078 0.000 0.741 271 E HN 0.662 nan 8.360 nan 0.000 0.458 272 E N -0.551 119.562 120.200 -0.145 0.000 2.204 272 E HA -0.135 4.215 4.350 -0.000 0.000 0.194 272 E C 0.495 176.744 176.600 -0.585 0.000 0.989 272 E CA 0.755 56.895 56.400 -0.432 0.000 0.824 272 E CB 0.042 29.325 29.700 -0.696 0.000 0.756 272 E HN 0.321 nan 8.360 nan 0.000 0.477 273 F N -0.191 119.750 119.950 -0.015 0.000 2.654 273 F HA 0.263 4.790 4.527 -0.000 0.000 0.303 273 F C 1.395 177.198 175.800 0.005 0.000 1.099 273 F CA -0.485 57.510 58.000 -0.009 0.000 1.270 273 F CB 0.165 39.151 39.000 -0.023 0.000 1.024 273 F HN 0.012 nan 8.300 nan 0.000 0.548 274 I N 0.547 121.195 120.570 0.130 0.000 2.151 274 I HA -0.330 3.840 4.170 -0.000 0.000 0.243 274 I C 1.925 178.098 176.117 0.095 0.000 1.080 274 I CA 1.889 63.256 61.300 0.111 0.000 1.339 274 I CB 0.044 38.097 38.000 0.088 0.000 1.039 274 I HN 0.055 nan 8.210 nan 0.000 0.409 275 D N 0.252 120.696 120.400 0.073 0.000 2.144 275 D HA -0.246 4.394 4.640 -0.000 0.000 0.200 275 D C 1.978 178.324 176.300 0.077 0.000 0.978 275 D CA 1.401 55.438 54.000 0.062 0.000 0.833 275 D CB -0.272 40.553 40.800 0.042 0.000 0.961 275 D HN 0.566 nan 8.370 nan 0.000 0.470 276 E N 0.678 120.942 120.200 0.105 0.000 2.072 276 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 276 E C 2.120 178.784 176.600 0.105 0.000 0.985 276 E CA 0.640 57.109 56.400 0.115 0.000 0.801 276 E CB 0.231 30.037 29.700 0.178 0.000 0.750 276 E HN -0.023 nan 8.360 nan 0.000 0.452 277 V N 1.314 121.300 119.914 0.119 0.000 2.407 277 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 277 V C 2.381 178.525 176.094 0.084 0.000 1.055 277 V CA 2.165 64.518 62.300 0.089 0.000 1.049 277 V CB -0.541 31.333 31.823 0.086 0.000 0.662 277 V HN 0.370 nan 8.190 nan 0.000 0.455 278 E N 0.474 120.722 120.200 0.081 0.000 2.077 278 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 278 E C 2.054 178.698 176.600 0.074 0.000 0.989 278 E CA 1.505 57.949 56.400 0.073 0.000 0.800 278 E CB -0.077 29.661 29.700 0.063 0.000 0.746 278 E HN 0.596 nan 8.360 nan 0.000 0.452 279 N N 0.556 119.296 118.700 0.066 0.000 2.166 279 N HA -0.142 4.598 4.740 -0.000 0.000 0.186 279 N C 1.952 177.499 175.510 0.063 0.000 1.019 279 N CA 1.061 54.143 53.050 0.054 0.000 0.856 279 N CB -0.187 38.325 38.487 0.042 0.000 0.993 279 N HN 0.309 nan 8.380 nan 0.000 0.426 280 I N 0.961 121.584 120.570 0.088 0.000 2.202 280 I HA -0.214 3.956 4.170 -0.000 0.000 0.242 280 I C 2.109 178.360 176.117 0.223 0.000 1.091 280 I CA 0.788 62.168 61.300 0.133 0.000 1.368 280 I CB -0.196 37.886 38.000 0.135 0.000 1.058 280 I HN 0.039 nan 8.210 nan 0.000 0.410 281 L N 0.148 121.482 121.223 0.185 0.000 2.046 281 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 281 L C 2.747 179.756 176.870 0.231 0.000 1.077 281 L CA 1.365 56.343 54.840 0.229 0.000 0.747 281 L CB -0.569 41.582 42.059 0.153 0.000 0.896 281 L HN 0.212 nan 8.230 nan 0.000 0.432 282 R N 0.049 120.633 120.500 0.141 0.000 2.148 282 R HA -0.166 4.174 4.340 -0.000 0.000 0.227 282 R C 1.738 178.064 176.300 0.042 0.000 1.103 282 R CA 1.356 57.516 56.100 0.100 0.000 0.983 282 R CB -0.048 30.290 30.300 0.063 0.000 0.874 282 R HN 0.289 nan 8.270 nan 0.000 0.451 283 D N -0.795 119.602 120.400 -0.005 0.000 2.178 283 D HA -0.163 4.477 4.640 -0.000 0.000 0.201 283 D C 1.162 177.288 176.300 -0.290 0.000 0.980 283 D CA 1.274 55.178 54.000 -0.160 0.000 0.842 283 D CB -0.020 40.630 40.800 -0.250 0.000 0.948 283 D HN 0.351 nan 8.370 nan 0.000 0.472 284 Y N -1.719 118.509 120.300 -0.120 0.000 2.389 284 Y HA 0.098 4.648 4.550 -0.000 0.000 0.292 284 Y C 0.247 175.788 175.900 -0.598 0.000 1.117 284 Y CA 0.452 58.350 58.100 -0.337 0.000 1.195 284 Y CB 0.410 38.679 38.460 -0.317 0.000 1.076 284 Y HN -0.121 nan 8.280 nan 0.000 0.548 285 Y N 0.789 121.186 120.300 0.163 0.000 2.333 285 Y HA 0.146 4.696 4.550 -0.000 0.000 0.324 285 Y C 0.973 176.906 175.900 0.055 0.000 1.033 285 Y CA -1.271 56.885 58.100 0.093 0.000 1.224 285 Y CB 0.859 39.370 38.460 0.086 0.000 1.120 285 Y HN 0.121 nan 8.280 nan 0.000 0.457 286 E N 0.305 120.594 120.200 0.147 0.000 2.130 286 E HA -0.272 4.078 4.350 -0.000 0.000 0.196 286 E C 0.413 177.068 176.600 0.093 0.000 0.998 286 E CA 1.226 57.680 56.400 0.089 0.000 0.806 286 E CB -0.007 29.726 29.700 0.054 0.000 0.738 286 E HN 0.335 nan 8.360 nan 0.000 0.459 287 N N 1.390 120.159 118.700 0.114 0.000 2.895 287 N HA 0.061 4.801 4.740 -0.000 0.000 0.277 287 N C -1.592 173.959 175.510 0.068 0.000 1.185 287 N CA 0.220 53.312 53.050 0.070 0.000 1.106 287 N CB 0.369 38.886 38.487 0.051 0.000 1.422 287 N HN 0.027 nan 8.380 nan 0.000 0.521 288 T N 3.017 117.611 114.554 0.066 0.000 2.829 288 T HA 0.578 4.927 4.350 -0.000 0.000 0.280 288 T C 0.120 174.841 174.700 0.035 0.000 0.999 288 T CA -0.582 61.554 62.100 0.060 0.000 0.983 288 T CB 0.836 69.757 68.868 0.088 0.000 0.968 288 T HN 0.402 nan 8.240 nan 0.000 0.446 289 I N -0.008 120.576 120.570 0.022 0.000 2.785 289 I HA 0.758 4.928 4.170 -0.000 0.000 0.302 289 I C -0.571 175.559 176.117 0.022 0.000 1.069 289 I CA -1.324 59.986 61.300 0.015 0.000 1.045 289 I CB 2.190 40.189 38.000 -0.001 0.000 1.236 289 I HN 0.407 nan 8.210 nan 0.000 0.429 290 R N 3.217 123.733 120.500 0.027 0.000 2.338 290 R HA 0.683 5.023 4.340 -0.000 0.000 0.317 290 R C -0.783 175.540 176.300 0.039 0.000 0.968 290 R CA -0.092 56.031 56.100 0.038 0.000 0.849 290 R CB 1.589 31.915 30.300 0.043 0.000 1.128 290 R HN 0.996 nan 8.270 nan 0.000 0.448 291 T N 1.585 116.169 114.554 0.050 0.000 2.598 291 T HA 0.425 4.775 4.350 -0.000 0.000 0.289 291 T C -1.598 173.147 174.700 0.076 0.000 1.056 291 T CA -0.550 61.584 62.100 0.057 0.000 1.088 291 T CB 1.155 70.054 68.868 0.051 0.000 1.519 291 T HN 0.804 nan 8.240 nan 0.000 0.488 292 E N -0.419 119.826 120.200 0.076 0.000 2.435 292 E HA 0.593 4.942 4.350 -0.000 0.000 0.272 292 E C -1.391 175.251 176.600 0.070 0.000 1.031 292 E CA -0.980 55.467 56.400 0.078 0.000 0.872 292 E CB 1.001 30.731 29.700 0.050 0.000 1.588 292 E HN 0.355 nan 8.360 nan 0.000 0.460 293 V N 1.031 120.968 119.914 0.037 0.000 2.572 293 V HA 0.381 4.501 4.120 -0.000 0.000 0.291 293 V C 0.764 176.869 176.094 0.019 0.000 1.039 293 V CA 0.775 63.090 62.300 0.025 0.000 1.055 293 V CB 0.695 32.483 31.823 -0.057 0.000 0.969 293 V HN 0.699 nan 8.190 nan 0.000 0.482 294 G N 3.585 112.410 108.800 0.042 0.000 2.522 294 G HA2 0.467 4.427 3.960 -0.000 0.000 0.304 294 G HA3 0.467 4.427 3.960 -0.000 0.000 0.304 294 G C 0.336 175.251 174.900 0.025 0.000 1.210 294 G CA -0.529 44.590 45.100 0.032 0.000 0.960 294 G HN 0.570 nan 8.290 nan 0.000 0.497 295 K N -0.204 120.198 120.400 0.003 0.000 2.373 295 K HA 0.321 4.641 4.320 -0.000 0.000 0.202 295 K C 0.963 177.549 176.600 -0.023 0.000 1.025 295 K CA 0.435 56.723 56.287 0.002 0.000 1.115 295 K CB 0.425 32.917 32.500 -0.014 0.000 0.858 295 K HN 1.170 nan 8.250 nan 0.000 0.525 296 G N 0.584 109.364 108.800 -0.034 0.000 2.710 296 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.668 296 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.668 296 G C -0.524 174.277 174.900 -0.165 0.000 1.320 296 G CA -0.698 44.361 45.100 -0.068 0.000 0.860 296 G HN -0.082 nan 8.290 nan 0.000 0.538 297 V N 1.586 121.360 119.914 -0.233 0.000 2.694 297 V HA 0.413 4.533 4.120 -0.000 0.000 0.306 297 V C 0.862 176.556 176.094 -0.667 0.000 1.054 297 V CA 1.671 63.692 62.300 -0.466 0.000 1.161 297 V CB 0.566 32.028 31.823 -0.603 0.000 0.916 297 V HN 1.125 nan 8.190 nan 0.000 0.490 298 E N 3.190 123.023 120.200 -0.611 0.000 2.433 298 E HA 0.621 4.971 4.350 -0.000 0.000 0.278 298 E C -1.567 174.810 176.600 -0.371 0.000 0.976 298 E CA -1.077 55.043 56.400 -0.467 0.000 0.793 298 E CB 1.908 31.465 29.700 -0.239 0.000 1.311 298 E HN 0.213 nan 8.360 nan 0.000 0.460 299 V N 1.331 121.139 119.914 -0.177 0.000 2.740 299 V HA 0.303 4.423 4.120 -0.000 0.000 0.303 299 V C 0.483 176.507 176.094 -0.118 0.000 1.054 299 V CA 0.184 62.426 62.300 -0.096 0.000 1.106 299 V CB 0.741 32.563 31.823 -0.000 0.000 0.957 299 V HN 0.592 nan 8.190 nan 0.000 0.486 300 V N 0.000 119.850 119.914 -0.107 0.000 2.409 300 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 300 V CA 0.000 62.243 62.300 -0.096 0.000 1.235 300 V CB 0.000 31.742 31.823 -0.135 0.000 1.184 300 V HN 0.000 nan 8.190 nan 0.000 0.556