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 2rin_1_A DATA FIRST_RESID 31 DATA SEQUENCE EScGTVRFSD VGWTDITATT ATATTILEAL GYETDVKVLS VPVTYTSLKN DATA SEQUENCE KDIDVFLGNW MPTMEADIAP YREDKSVETV RENLAGAKYT LATNAKGAEL DATA SEQUENCE GIKDFKDIAA HKDELDGKIY GIEPGNDGNR LIIDMVEKGT FDLKGFEVVE DATA SEQUENCE SSEQGMLAQV ARAEKSGDPI VFLGWEPHPM NANFKLTYLS GGDDVFGPNY DATA SEQUENCE GGATVHTNVR AGYTTEcPNV DKLLQNLSFS LQMENEIMGK ILNDGEDPEK DATA SEQUENCE AAAAWLKDNP QSIEPWLSGV ATKDGGDGLA AVKAALGL 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 31 E HA 0.000 nan 4.350 nan 0.000 0.291 31 E C 0.000 176.615 176.600 0.025 0.000 1.382 31 E CA 0.000 56.409 56.400 0.014 0.000 0.976 31 E CB 0.000 29.710 29.700 0.016 0.000 0.812 32 S N 1.221 116.932 115.700 0.018 0.000 2.470 32 S HA -0.059 4.413 4.470 0.003 0.000 0.225 32 S C 1.690 176.313 174.600 0.039 0.000 1.006 32 S CA 0.728 58.944 58.200 0.025 0.000 0.934 32 S CB -0.155 63.054 63.200 0.016 0.000 0.778 32 S HN 0.612 nan 8.310 nan 0.000 0.517 33 c N 2.259 120.875 118.600 0.028 0.000 2.411 33 c HA 0.049 4.621 4.570 0.003 0.000 0.279 33 c C 2.942 177.110 174.090 0.130 0.000 1.288 33 c CA 0.708 57.059 56.329 0.037 0.000 1.764 33 c CB -1.847 40.665 42.510 0.003 0.000 1.974 33 c HN 0.777 nan 8.230 nan 0.000 0.498 34 G N -0.918 107.979 108.800 0.162 0.000 2.479 34 G HA2 -0.110 3.852 3.960 0.003 0.000 0.220 34 G HA3 -0.110 3.852 3.960 0.003 0.000 0.220 34 G C 0.762 175.785 174.900 0.206 0.000 1.115 34 G CA 1.198 46.449 45.100 0.251 0.000 0.757 34 G HN 0.533 nan 8.290 nan 0.000 0.560 35 T N 1.395 116.017 114.554 0.113 0.000 3.053 35 T HA 0.423 4.775 4.350 0.003 0.000 0.363 35 T C -0.034 174.682 174.700 0.026 0.000 1.239 35 T CA -0.529 61.617 62.100 0.077 0.000 1.071 35 T CB 1.532 70.431 68.868 0.052 0.000 1.089 35 T HN 0.003 nan 8.240 nan 0.000 0.527 36 V N 5.129 125.036 119.914 -0.012 0.000 2.529 36 V HA 0.292 4.414 4.120 0.003 0.000 0.292 36 V C 0.575 176.549 176.094 -0.200 0.000 1.028 36 V CA -0.415 61.789 62.300 -0.160 0.000 1.074 36 V CB -0.311 31.367 31.823 -0.240 0.000 0.958 36 V HN 0.705 nan 8.190 nan 0.000 0.481 37 R N 4.550 124.863 120.500 -0.313 0.000 2.409 37 R HA 0.657 5.000 4.340 0.003 0.000 0.313 37 R C -1.461 174.616 176.300 -0.371 0.000 0.953 37 R CA -0.478 55.492 56.100 -0.218 0.000 0.849 37 R CB 1.205 31.433 30.300 -0.120 0.000 1.171 37 R HN 0.500 nan 8.270 nan 0.000 0.458 38 F N 0.669 120.572 119.950 -0.078 0.000 2.425 38 F HA 0.346 4.874 4.527 0.003 0.000 0.331 38 F C 0.899 176.651 175.800 -0.081 0.000 1.085 38 F CA -0.710 57.247 58.000 -0.072 0.000 1.028 38 F CB 2.261 41.227 39.000 -0.057 0.000 1.177 38 F HN 0.398 nan 8.300 nan 0.000 0.487 39 S N 1.597 117.376 115.700 0.133 0.000 2.429 39 S HA 0.316 4.788 4.470 0.003 0.000 0.302 39 S C -1.214 173.413 174.600 0.044 0.000 1.115 39 S CA -0.568 57.621 58.200 -0.019 0.000 1.095 39 S CB 0.513 63.560 63.200 -0.256 0.000 0.987 39 S HN 0.620 nan 8.310 nan 0.000 0.474 40 D N 4.592 124.951 120.400 -0.069 0.000 2.420 40 D HA 0.274 4.916 4.640 0.003 0.000 0.255 40 D C 1.026 177.151 176.300 -0.292 0.000 1.185 40 D CA -0.701 53.219 54.000 -0.134 0.000 0.904 40 D CB 0.886 41.616 40.800 -0.116 0.000 1.102 40 D HN 0.287 nan 8.370 nan 0.000 0.534 41 V N 3.369 122.989 119.914 -0.490 0.000 2.439 41 V HA -0.009 4.113 4.120 0.003 0.000 0.253 41 V C 2.037 177.726 176.094 -0.675 0.000 1.074 41 V CA 2.125 64.007 62.300 -0.697 0.000 1.076 41 V CB -0.822 30.351 31.823 -1.084 0.000 0.664 41 V HN 0.918 nan 8.190 nan 0.000 0.461 42 G N -3.416 104.988 108.800 -0.661 0.000 2.318 42 G HA2 -0.146 3.816 3.960 0.003 0.000 0.172 42 G HA3 -0.146 3.816 3.960 0.003 0.000 0.172 42 G C -0.088 174.735 174.900 -0.129 0.000 1.002 42 G CA -0.255 44.652 45.100 -0.323 0.000 0.697 42 G HN 0.294 nan 8.290 nan 0.000 0.483 43 W N 1.010 122.339 121.300 0.048 0.000 2.034 43 W HA 0.490 5.154 4.660 0.008 0.000 0.357 43 W C 1.247 177.833 176.519 0.112 0.000 1.326 43 W CA 0.555 57.962 57.345 0.105 0.000 1.318 43 W CB -0.743 28.745 29.460 0.048 0.000 1.193 43 W HN -0.015 nan 8.180 nan 0.000 0.620 44 T N 0.323 115.126 114.554 0.415 0.000 2.985 44 T HA -0.177 4.176 4.350 0.003 0.000 0.266 44 T C 1.444 176.240 174.700 0.161 0.000 1.076 44 T CA 1.611 63.841 62.100 0.217 0.000 1.135 44 T CB -0.204 68.760 68.868 0.160 0.000 0.890 44 T HN 0.503 nan 8.240 nan 0.000 0.480 45 D N 1.465 122.029 120.400 0.273 0.000 2.091 45 D HA -0.079 4.563 4.640 0.003 0.000 0.199 45 D C 2.250 178.603 176.300 0.089 0.000 0.980 45 D CA 0.734 54.838 54.000 0.174 0.000 0.831 45 D CB -0.481 40.501 40.800 0.304 0.000 0.987 45 D HN 0.324 nan 8.370 nan 0.000 0.460 46 I N 1.597 122.310 120.570 0.238 0.000 2.194 46 I HA -0.259 3.913 4.170 0.003 0.000 0.246 46 I C 2.305 178.384 176.117 -0.063 0.000 1.093 46 I CA 1.632 62.984 61.300 0.086 0.000 1.355 46 I CB -0.492 37.579 38.000 0.119 0.000 1.046 46 I HN -0.010 nan 8.210 nan 0.000 0.413 47 T N 0.442 114.980 114.554 -0.026 0.000 2.788 47 T HA -0.108 4.244 4.350 0.003 0.000 0.268 47 T C 1.871 176.502 174.700 -0.115 0.000 1.044 47 T CA 1.358 63.413 62.100 -0.075 0.000 1.139 47 T CB -0.401 68.448 68.868 -0.033 0.000 0.867 47 T HN 0.564 nan 8.240 nan 0.000 0.454 48 A N 1.386 124.137 122.820 -0.115 0.000 1.897 48 A HA -0.083 4.239 4.320 0.003 0.000 0.215 48 A C 2.598 180.012 177.584 -0.282 0.000 1.181 48 A CA 2.121 54.056 52.037 -0.170 0.000 0.620 48 A CB -1.111 17.795 19.000 -0.157 0.000 0.821 48 A HN 0.627 nan 8.150 nan 0.000 0.443 49 T N -2.858 111.443 114.554 -0.421 0.000 2.777 49 T HA -0.128 4.224 4.350 0.003 0.000 0.266 49 T C 1.780 176.245 174.700 -0.392 0.000 1.040 49 T CA 2.007 63.687 62.100 -0.700 0.000 1.141 49 T CB -1.092 67.027 68.868 -1.248 0.000 0.868 49 T HN 0.317 nan 8.240 nan 0.000 0.444 50 T N 2.102 116.436 114.554 -0.367 0.000 2.867 50 T HA 0.180 4.532 4.350 0.003 0.000 0.268 50 T C 2.469 176.962 174.700 -0.345 0.000 1.057 50 T CA 0.914 62.742 62.100 -0.452 0.000 1.136 50 T CB -0.774 67.867 68.868 -0.378 0.000 0.874 50 T HN 0.592 nan 8.240 nan 0.000 0.466 51 A N 1.834 124.519 122.820 -0.224 0.000 1.884 51 A HA -0.222 4.100 4.320 0.003 0.000 0.219 51 A C 2.552 180.058 177.584 -0.129 0.000 1.197 51 A CA 2.440 54.391 52.037 -0.144 0.000 0.637 51 A CB -1.443 17.493 19.000 -0.106 0.000 0.827 51 A HN 0.484 nan 8.150 nan 0.000 0.450 52 T N 0.041 114.511 114.554 -0.140 0.000 2.668 52 T HA 0.050 4.402 4.350 0.003 0.000 0.262 52 T C 2.291 176.891 174.700 -0.167 0.000 1.045 52 T CA 1.900 63.940 62.100 -0.099 0.000 1.152 52 T CB -0.786 68.058 68.868 -0.040 0.000 0.864 52 T HN 0.713 nan 8.240 nan 0.000 0.419 53 A N 1.687 124.360 122.820 -0.245 0.000 1.906 53 A HA -0.299 4.023 4.320 0.003 0.000 0.222 53 A C 2.600 180.055 177.584 -0.216 0.000 1.282 53 A CA 3.417 55.263 52.037 -0.318 0.000 0.675 53 A CB -1.575 17.060 19.000 -0.609 0.000 0.838 53 A HN 0.672 nan 8.150 nan 0.000 0.469 54 T N -5.418 108.995 114.554 -0.236 0.000 3.009 54 T HA -0.014 4.338 4.350 0.003 0.000 0.258 54 T C 1.759 176.463 174.700 0.008 0.000 1.063 54 T CA 1.869 63.936 62.100 -0.055 0.000 1.139 54 T CB -0.521 68.299 68.868 -0.079 0.000 0.890 54 T HN 0.271 nan 8.240 nan 0.000 0.471 55 T N 1.501 116.043 114.554 -0.020 0.000 3.035 55 T HA 0.229 4.581 4.350 0.003 0.000 0.268 55 T C 1.681 176.411 174.700 0.051 0.000 1.109 55 T CA 0.379 62.493 62.100 0.024 0.000 1.119 55 T CB -0.328 68.553 68.868 0.022 0.000 0.900 55 T HN 0.314 nan 8.240 nan 0.000 0.503 56 I N 0.635 121.222 120.570 0.028 0.000 2.206 56 I HA -0.041 4.131 4.170 0.003 0.000 0.239 56 I C 2.160 178.340 176.117 0.105 0.000 1.078 56 I CA 1.266 62.598 61.300 0.053 0.000 1.367 56 I CB -0.768 37.213 38.000 -0.032 0.000 1.078 56 I HN 0.270 nan 8.210 nan 0.000 0.413 57 L N 0.584 121.874 121.223 0.111 0.000 2.191 57 L HA -0.188 4.154 4.340 0.003 0.000 0.212 57 L C 2.403 179.436 176.870 0.273 0.000 1.103 57 L CA 1.154 56.127 54.840 0.222 0.000 0.769 57 L CB -0.557 41.584 42.059 0.138 0.000 0.908 57 L HN 0.242 nan 8.230 nan 0.000 0.438 58 E N 0.148 120.449 120.200 0.168 0.000 2.033 58 E HA -0.304 4.049 4.350 0.003 0.000 0.199 58 E C 2.351 179.019 176.600 0.113 0.000 1.011 58 E CA 1.495 57.974 56.400 0.132 0.000 0.815 58 E CB -0.260 29.494 29.700 0.090 0.000 0.755 58 E HN 0.530 nan 8.360 nan 0.000 0.451 59 A N 0.899 123.782 122.820 0.105 0.000 1.940 59 A HA -0.168 4.155 4.320 0.003 0.000 0.219 59 A C 2.126 179.764 177.584 0.089 0.000 1.176 59 A CA 1.150 53.239 52.037 0.088 0.000 0.631 59 A CB -0.643 18.413 19.000 0.093 0.000 0.814 59 A HN 0.190 nan 8.150 nan 0.000 0.446 60 L N -1.427 119.884 121.223 0.145 0.000 2.549 60 L HA 0.054 4.396 4.340 0.003 0.000 0.229 60 L C 1.699 178.552 176.870 -0.028 0.000 1.158 60 L CA 0.674 55.602 54.840 0.146 0.000 0.842 60 L CB -0.370 41.900 42.059 0.352 0.000 0.952 60 L HN 0.657 nan 8.230 nan 0.000 0.452 61 G N -1.788 107.003 108.800 -0.016 0.000 2.148 61 G HA2 -0.258 3.704 3.960 0.003 0.000 0.203 61 G HA3 -0.258 3.704 3.960 0.003 0.000 0.203 61 G C -0.121 174.668 174.900 -0.185 0.000 0.993 61 G CA -0.451 44.569 45.100 -0.134 0.000 0.661 61 G HN 0.233 nan 8.290 nan 0.000 0.518 62 Y N 0.685 121.011 120.300 0.043 0.000 2.545 62 Y HA 0.693 5.246 4.550 0.004 0.000 0.324 62 Y C 0.897 176.825 175.900 0.047 0.000 1.220 62 Y CA -1.046 57.081 58.100 0.045 0.000 1.290 62 Y CB 0.710 39.203 38.460 0.055 0.000 1.355 62 Y HN 0.239 nan 8.280 nan 0.000 0.516 63 E N -0.112 120.222 120.200 0.224 0.000 2.232 63 E HA 0.616 4.968 4.350 0.003 0.000 0.264 63 E C -0.929 175.755 176.600 0.140 0.000 0.973 63 E CA -0.977 55.509 56.400 0.143 0.000 0.849 63 E CB 1.786 31.543 29.700 0.096 0.000 1.198 63 E HN 0.645 nan 8.360 nan 0.000 0.407 64 T N -1.929 112.694 114.554 0.116 0.000 2.864 64 T HA 0.489 4.841 4.350 0.003 0.000 0.299 64 T C -1.408 173.348 174.700 0.094 0.000 1.166 64 T CA -1.048 61.127 62.100 0.126 0.000 1.007 64 T CB 1.806 70.797 68.868 0.205 0.000 1.219 64 T HN 0.473 nan 8.240 nan 0.000 0.506 65 D N 0.777 121.235 120.400 0.096 0.000 2.476 65 D HA 0.496 5.138 4.640 0.003 0.000 0.251 65 D C -0.945 175.406 176.300 0.086 0.000 1.291 65 D CA -0.539 53.498 54.000 0.063 0.000 0.939 65 D CB 1.322 42.135 40.800 0.022 0.000 1.221 65 D HN 0.608 nan 8.370 nan 0.000 0.567 66 V N 3.704 123.664 119.914 0.075 0.000 2.481 66 V HA 0.525 4.647 4.120 0.003 0.000 0.286 66 V C 0.176 176.275 176.094 0.009 0.000 1.042 66 V CA -0.711 61.631 62.300 0.071 0.000 0.928 66 V CB 1.507 33.352 31.823 0.037 0.000 0.986 66 V HN 0.406 nan 8.190 nan 0.000 0.462 67 K N 2.888 123.280 120.400 -0.012 0.000 2.376 67 K HA 0.403 4.725 4.320 0.003 0.000 0.257 67 K C -0.456 176.089 176.600 -0.093 0.000 0.939 67 K CA -0.689 55.565 56.287 -0.055 0.000 0.809 67 K CB 2.325 34.782 32.500 -0.071 0.000 1.121 67 K HN 0.668 nan 8.250 nan 0.000 0.425 68 V N 2.738 122.592 119.914 -0.099 0.000 2.266 68 V HA 0.217 4.339 4.120 0.003 0.000 0.240 68 V C 0.046 176.053 176.094 -0.145 0.000 1.225 68 V CA -0.260 61.962 62.300 -0.130 0.000 1.237 68 V CB -1.109 30.653 31.823 -0.101 0.000 1.343 68 V HN 0.476 nan 8.190 nan 0.000 0.496 69 L N 4.197 125.303 121.223 -0.196 0.000 2.331 69 L HA 0.603 4.945 4.340 0.003 0.000 0.275 69 L C 0.918 177.649 176.870 -0.230 0.000 1.022 69 L CA -0.435 54.282 54.840 -0.206 0.000 0.812 69 L CB 2.177 44.083 42.059 -0.254 0.000 1.257 69 L HN 0.768 nan 8.230 nan 0.000 0.435 70 S N 0.916 116.517 115.700 -0.166 0.000 2.584 70 S HA 0.123 4.595 4.470 0.003 0.000 0.270 70 S C 1.055 175.565 174.600 -0.151 0.000 1.346 70 S CA -0.722 57.407 58.200 -0.119 0.000 1.018 70 S CB 1.403 64.570 63.200 -0.054 0.000 0.899 70 S HN 0.355 nan 8.310 nan 0.000 0.542 71 V N 2.874 122.754 119.914 -0.056 0.000 2.261 71 V HA -0.056 4.066 4.120 0.003 0.000 0.246 71 V C -0.624 175.464 176.094 -0.009 0.000 1.047 71 V CA 1.926 64.204 62.300 -0.038 0.000 1.015 71 V CB -1.807 30.124 31.823 0.180 0.000 0.642 71 V HN 0.769 nan 8.190 nan 0.000 0.446 72 P HA -0.101 nan 4.420 nan 0.000 0.216 72 P C 1.755 179.061 177.300 0.010 0.000 1.150 72 P CA 1.319 64.477 63.100 0.097 0.000 0.837 72 P CB -0.098 31.653 31.700 0.084 0.000 0.786 73 V N -1.124 118.750 119.914 -0.067 0.000 3.041 73 V HA -0.115 4.007 4.120 0.003 0.000 0.260 73 V C 2.245 178.206 176.094 -0.220 0.000 1.105 73 V CA 1.918 64.154 62.300 -0.107 0.000 1.125 73 V CB -1.660 30.106 31.823 -0.094 0.000 0.730 73 V HN 0.179 nan 8.190 nan 0.000 0.479 74 T N -0.741 113.593 114.554 -0.367 0.000 2.857 74 T HA -0.112 4.241 4.350 0.003 0.000 0.266 74 T C 1.701 176.005 174.700 -0.659 0.000 1.048 74 T CA 1.481 63.211 62.100 -0.618 0.000 1.139 74 T CB -0.244 67.985 68.868 -1.065 0.000 0.874 74 T HN 0.530 nan 8.240 nan 0.000 0.455 75 Y N 1.548 121.585 120.300 -0.438 0.000 2.263 75 Y HA -0.119 4.433 4.550 0.004 0.000 0.292 75 Y C 3.095 178.575 175.900 -0.700 0.000 1.130 75 Y CA 1.214 58.913 58.100 -0.668 0.000 1.179 75 Y CB -0.572 37.399 38.460 -0.815 0.000 0.998 75 Y HN 0.300 nan 8.280 nan 0.000 0.532 76 T N -3.443 110.973 114.554 -0.230 0.000 2.737 76 T HA -0.188 4.165 4.350 0.003 0.000 0.265 76 T C 2.113 176.766 174.700 -0.078 0.000 1.038 76 T CA 1.301 63.374 62.100 -0.045 0.000 1.144 76 T CB -0.869 68.043 68.868 0.073 0.000 0.866 76 T HN 0.150 nan 8.240 nan 0.000 0.434 77 S N 1.437 117.060 115.700 -0.129 0.000 2.381 77 S HA -0.081 4.391 4.470 0.003 0.000 0.230 77 S C 1.926 176.448 174.600 -0.129 0.000 1.052 77 S CA 1.546 59.667 58.200 -0.131 0.000 1.068 77 S CB -0.711 62.380 63.200 -0.182 0.000 0.918 77 S HN 0.450 nan 8.310 nan 0.000 0.448 78 L N 0.778 121.889 121.223 -0.186 0.000 2.046 78 L HA -0.154 4.188 4.340 0.003 0.000 0.208 78 L C 2.437 179.272 176.870 -0.059 0.000 1.077 78 L CA 1.629 56.382 54.840 -0.144 0.000 0.747 78 L CB -0.340 41.619 42.059 -0.167 0.000 0.896 78 L HN 0.291 nan 8.230 nan 0.000 0.432 79 K N -0.036 120.337 120.400 -0.045 0.000 2.031 79 K HA -0.129 4.193 4.320 0.003 0.000 0.205 79 K C 1.669 178.301 176.600 0.053 0.000 1.049 79 K CA 1.515 57.845 56.287 0.072 0.000 0.939 79 K CB 0.014 32.653 32.500 0.233 0.000 0.717 79 K HN 0.217 nan 8.250 nan 0.000 0.438 80 N N 1.256 119.972 118.700 0.028 0.000 2.550 80 N HA -0.065 4.677 4.740 0.003 0.000 0.186 80 N C -0.486 175.028 175.510 0.006 0.000 1.110 80 N CA 0.732 53.794 53.050 0.020 0.000 0.912 80 N CB 0.189 38.683 38.487 0.012 0.000 0.968 80 N HN 0.244 nan 8.380 nan 0.000 0.448 81 K N -0.200 120.197 120.400 -0.005 0.000 3.263 81 K HA -0.109 4.213 4.320 0.003 0.000 0.277 81 K C -0.725 175.861 176.600 -0.022 0.000 1.207 81 K CA 0.483 56.767 56.287 -0.006 0.000 0.818 81 K CB -1.095 31.414 32.500 0.015 0.000 1.313 81 K HN 0.252 nan 8.250 nan 0.000 0.512 82 D N 0.135 120.508 120.400 -0.045 0.000 2.366 82 D HA 0.092 4.734 4.640 0.003 0.000 0.205 82 D C 1.098 177.353 176.300 -0.074 0.000 1.022 82 D CA 0.669 54.639 54.000 -0.050 0.000 0.868 82 D CB 0.341 41.110 40.800 -0.050 0.000 0.953 82 D HN 0.526 nan 8.370 nan 0.000 0.514 83 I N -1.625 118.882 120.570 -0.104 0.000 2.957 83 I HA 0.285 4.458 4.170 0.003 0.000 0.310 83 I C -0.311 175.698 176.117 -0.180 0.000 1.063 83 I CA -0.672 60.540 61.300 -0.148 0.000 1.033 83 I CB 2.767 40.661 38.000 -0.176 0.000 1.230 83 I HN -0.414 nan 8.210 nan 0.000 0.447 84 D N 2.578 122.803 120.400 -0.293 0.000 2.431 84 D HA 0.240 4.882 4.640 0.003 0.000 0.227 84 D C -0.037 175.928 176.300 -0.559 0.000 1.030 84 D CA 0.923 54.656 54.000 -0.446 0.000 0.897 84 D CB 1.448 41.878 40.800 -0.616 0.000 1.058 84 D HN 0.281 nan 8.370 nan 0.000 0.500 85 V N 0.870 120.495 119.914 -0.483 0.000 2.971 85 V HA 0.400 4.522 4.120 0.003 0.000 0.309 85 V C -1.723 174.352 176.094 -0.032 0.000 1.130 85 V CA -0.955 61.138 62.300 -0.345 0.000 0.964 85 V CB 3.208 34.692 31.823 -0.564 0.000 1.029 85 V HN -0.033 nan 8.190 nan 0.000 0.427 86 F N 3.838 123.734 119.950 -0.090 0.000 2.612 86 F HA 0.540 5.069 4.527 0.004 0.000 0.332 86 F C 0.280 176.114 175.800 0.057 0.000 1.167 86 F CA -0.781 57.206 58.000 -0.021 0.000 0.970 86 F CB 1.480 40.388 39.000 -0.153 0.000 1.234 86 F HN 0.365 nan 8.300 nan 0.000 0.453 87 L N 4.063 125.219 121.223 -0.112 0.000 2.376 87 L HA 0.046 4.388 4.340 0.003 0.000 0.219 87 L C 1.717 178.314 176.870 -0.454 0.000 1.133 87 L CA 1.211 55.933 54.840 -0.197 0.000 0.816 87 L CB -0.239 41.755 42.059 -0.108 0.000 0.933 87 L HN 0.867 nan 8.230 nan 0.000 0.449 88 G N -0.243 107.904 108.800 -1.089 0.000 3.814 88 G HA2 -0.000 3.962 3.960 0.003 0.000 0.293 88 G HA3 -0.000 3.962 3.960 0.003 0.000 0.293 88 G C -0.084 174.503 174.900 -0.522 0.000 1.243 88 G CA -0.336 44.318 45.100 -0.743 0.000 1.053 88 G HN 0.248 nan 8.290 nan 0.000 0.562 89 N N 0.212 118.705 118.700 -0.345 0.000 2.462 89 N HA 0.281 5.023 4.740 0.003 0.000 0.242 89 N C -0.812 174.843 175.510 0.242 0.000 1.010 89 N CA -0.781 52.369 53.050 0.165 0.000 0.939 89 N CB 0.458 39.118 38.487 0.287 0.000 1.127 89 N HN 0.113 nan 8.380 nan 0.000 0.509 90 W N 4.586 125.938 121.300 0.087 0.000 2.338 90 W HA 0.442 5.101 4.660 -0.001 0.000 0.307 90 W C -0.279 176.300 176.519 0.100 0.000 1.167 90 W CA -0.660 56.713 57.345 0.047 0.000 1.208 90 W CB 0.759 30.146 29.460 -0.121 0.000 1.228 90 W HN 0.184 nan 8.180 nan 0.000 0.499 91 M N 5.838 125.624 119.600 0.309 0.000 2.393 91 M HA 0.251 4.734 4.480 0.003 0.000 0.316 91 M C -1.789 174.645 176.300 0.223 0.000 1.087 91 M CA -2.485 52.947 55.300 0.219 0.000 0.937 91 M CB 1.995 34.685 32.600 0.150 0.000 1.668 91 M HN 0.163 nan 8.290 nan 0.000 0.438 92 P HA 0.095 nan 4.420 nan 0.000 0.262 92 P C 0.974 178.345 177.300 0.118 0.000 1.304 92 P CA 0.447 63.622 63.100 0.125 0.000 0.859 92 P CB -0.329 31.422 31.700 0.085 0.000 1.310 93 T N -3.295 111.365 114.554 0.176 0.000 2.867 93 T HA -0.027 4.325 4.350 0.003 0.000 0.268 93 T C 1.652 176.404 174.700 0.088 0.000 1.057 93 T CA 0.820 62.985 62.100 0.108 0.000 1.136 93 T CB -0.900 68.086 68.868 0.198 0.000 0.874 93 T HN 0.026 nan 8.240 nan 0.000 0.466 94 M N 1.097 120.787 119.600 0.151 0.000 2.691 94 M HA 0.186 4.668 4.480 0.003 0.000 0.227 94 M C 1.991 178.324 176.300 0.055 0.000 1.120 94 M CA 0.360 55.748 55.300 0.146 0.000 1.034 94 M CB -0.199 32.566 32.600 0.274 0.000 1.675 94 M HN 0.230 nan 8.290 nan 0.000 0.514 95 E N 1.517 121.735 120.200 0.030 0.000 2.110 95 E HA -0.147 4.205 4.350 0.003 0.000 0.193 95 E C 1.775 178.357 176.600 -0.029 0.000 0.988 95 E CA 1.978 58.374 56.400 -0.007 0.000 0.804 95 E CB 0.020 29.715 29.700 -0.008 0.000 0.745 95 E HN 0.441 nan 8.360 nan 0.000 0.458 96 A N 1.046 123.853 122.820 -0.022 0.000 1.845 96 A HA -0.208 4.114 4.320 0.003 0.000 0.215 96 A C 1.978 179.545 177.584 -0.028 0.000 1.195 96 A CA 1.859 53.880 52.037 -0.026 0.000 0.616 96 A CB -0.932 18.057 19.000 -0.019 0.000 0.832 96 A HN 0.325 nan 8.150 nan 0.000 0.443 97 D N -0.270 120.120 120.400 -0.016 0.000 2.126 97 D HA -0.177 4.466 4.640 0.003 0.000 0.190 97 D C 1.633 177.773 176.300 -0.266 0.000 1.001 97 D CA 1.551 55.520 54.000 -0.052 0.000 0.841 97 D CB -0.408 40.413 40.800 0.037 0.000 0.949 97 D HN 0.319 nan 8.370 nan 0.000 0.446 98 I N 0.512 120.879 120.570 -0.337 0.000 3.059 98 I HA 0.020 4.192 4.170 0.003 0.000 0.270 98 I C 1.987 178.029 176.117 -0.126 0.000 1.238 98 I CA 0.073 61.111 61.300 -0.437 0.000 1.478 98 I CB -0.778 37.076 38.000 -0.245 0.000 1.097 98 I HN -0.141 nan 8.210 nan 0.000 0.455 99 A N 1.639 124.412 122.820 -0.079 0.000 1.854 99 A HA 0.029 4.351 4.320 0.003 0.000 0.214 99 A C -0.170 177.367 177.584 -0.078 0.000 1.192 99 A CA 1.113 53.114 52.037 -0.060 0.000 0.611 99 A CB -1.972 16.992 19.000 -0.060 0.000 0.832 99 A HN 0.309 nan 8.150 nan 0.000 0.442 100 P HA -0.097 nan 4.420 nan 0.000 0.231 100 P C 0.215 177.279 177.300 -0.393 0.000 1.158 100 P CA 1.015 63.937 63.100 -0.298 0.000 0.763 100 P CB -0.172 31.268 31.700 -0.434 0.000 0.805 101 Y N -0.796 119.465 120.300 -0.065 0.000 2.507 101 Y HA 0.126 4.677 4.550 0.002 0.000 0.263 101 Y C 2.480 178.368 175.900 -0.019 0.000 1.093 101 Y CA -0.105 57.977 58.100 -0.030 0.000 1.285 101 Y CB -0.175 38.272 38.460 -0.021 0.000 1.115 101 Y HN -0.091 nan 8.280 nan 0.000 0.533 102 R N 0.601 121.151 120.500 0.083 0.000 2.140 102 R HA -0.010 4.332 4.340 0.003 0.000 0.213 102 R C 1.392 177.700 176.300 0.014 0.000 1.059 102 R CA 1.095 57.222 56.100 0.045 0.000 1.000 102 R CB -0.483 29.829 30.300 0.019 0.000 0.910 102 R HN 0.279 nan 8.270 nan 0.000 0.455 103 E N 1.354 121.545 120.200 -0.015 0.000 2.160 103 E HA -0.174 4.178 4.350 0.003 0.000 0.195 103 E C 0.550 177.133 176.600 -0.028 0.000 0.991 103 E CA 1.631 58.011 56.400 -0.033 0.000 0.810 103 E CB 0.097 29.759 29.700 -0.064 0.000 0.742 103 E HN 0.569 nan 8.360 nan 0.000 0.466 104 D N -1.046 119.340 120.400 -0.022 0.000 2.469 104 D HA 0.017 4.660 4.640 0.003 0.000 0.213 104 D C -0.062 176.253 176.300 0.024 0.000 1.135 104 D CA -0.127 53.867 54.000 -0.010 0.000 0.834 104 D CB 0.157 40.938 40.800 -0.032 0.000 1.009 104 D HN -0.138 nan 8.370 nan 0.000 0.507 105 K N 0.033 120.458 120.400 0.042 0.000 3.150 105 K HA -0.162 4.160 4.320 0.003 0.000 0.267 105 K C 0.611 177.258 176.600 0.078 0.000 1.028 105 K CA 0.772 57.094 56.287 0.057 0.000 0.753 105 K CB -1.866 30.658 32.500 0.039 0.000 1.288 105 K HN 0.307 nan 8.250 nan 0.000 0.473 106 S N -2.280 113.491 115.700 0.118 0.000 2.517 106 S HA 0.236 4.708 4.470 0.003 0.000 0.214 106 S C 0.489 175.176 174.600 0.145 0.000 0.991 106 S CA 0.042 58.330 58.200 0.146 0.000 0.906 106 S CB 0.760 64.097 63.200 0.227 0.000 0.789 106 S HN 0.062 nan 8.310 nan 0.000 0.513 107 V N 1.702 121.708 119.914 0.153 0.000 2.777 107 V HA 0.480 4.602 4.120 0.003 0.000 0.306 107 V C -1.115 175.048 176.094 0.116 0.000 1.112 107 V CA -0.810 61.574 62.300 0.140 0.000 0.917 107 V CB 2.114 34.051 31.823 0.190 0.000 1.018 107 V HN 0.297 nan 8.190 nan 0.000 0.426 108 E N 1.298 121.557 120.200 0.098 0.000 2.316 108 E HA 0.765 5.118 4.350 0.003 0.000 0.258 108 E C -0.964 175.685 176.600 0.081 0.000 0.952 108 E CA -0.901 55.546 56.400 0.079 0.000 0.818 108 E CB 2.020 31.762 29.700 0.071 0.000 1.260 108 E HN 0.641 nan 8.360 nan 0.000 0.416 109 T N 0.306 114.898 114.554 0.062 0.000 2.855 109 T HA 0.233 4.585 4.350 0.003 0.000 0.281 109 T C 0.679 175.421 174.700 0.070 0.000 1.007 109 T CA -0.672 61.468 62.100 0.065 0.000 1.009 109 T CB 1.581 70.465 68.868 0.026 0.000 0.983 109 T HN 0.221 nan 8.240 nan 0.000 0.455 110 V N 1.684 121.646 119.914 0.081 0.000 2.949 110 V HA 0.252 4.374 4.120 0.003 0.000 0.245 110 V C 0.744 176.883 176.094 0.075 0.000 1.086 110 V CA 0.716 63.059 62.300 0.071 0.000 1.097 110 V CB -0.728 31.131 31.823 0.060 0.000 0.762 110 V HN 1.034 nan 8.190 nan 0.000 0.470 111 R N -0.498 120.065 120.500 0.105 0.000 3.509 111 R HA 0.088 4.430 4.340 0.003 0.000 0.271 111 R C -1.020 175.362 176.300 0.137 0.000 0.917 111 R CA -0.559 55.608 56.100 0.112 0.000 0.800 111 R CB 0.306 30.641 30.300 0.058 0.000 1.409 111 R HN 0.023 nan 8.270 nan 0.000 0.520 112 E N 0.929 121.150 120.200 0.036 0.000 2.152 112 E HA 0.118 4.470 4.350 0.003 0.000 0.285 112 E C -0.424 176.079 176.600 -0.162 0.000 1.043 112 E CA -0.073 56.178 56.400 -0.249 0.000 0.839 112 E CB 0.712 30.255 29.700 -0.262 0.000 1.069 112 E HN 0.620 nan 8.360 nan 0.000 0.399 113 N N 4.535 123.140 118.700 -0.158 0.000 2.325 113 N HA 0.048 4.790 4.740 0.003 0.000 0.182 113 N C -0.429 175.108 175.510 0.046 0.000 1.088 113 N CA -0.085 52.969 53.050 0.006 0.000 0.879 113 N CB 0.399 38.987 38.487 0.169 0.000 0.983 113 N HN 0.290 nan 8.380 nan 0.000 0.471 114 L N 0.090 121.236 121.223 -0.129 0.000 2.493 114 L HA 0.777 5.119 4.340 0.003 0.000 0.265 114 L C -1.545 175.193 176.870 -0.221 0.000 0.954 114 L CA -1.142 53.617 54.840 -0.136 0.000 0.844 114 L CB 1.669 43.620 42.059 -0.180 0.000 1.302 114 L HN 0.166 nan 8.230 nan 0.000 0.405 115 A N 2.551 125.292 122.820 -0.132 0.000 2.320 115 A HA 0.770 5.092 4.320 0.003 0.000 0.334 115 A C 0.918 178.460 177.584 -0.071 0.000 1.147 115 A CA 0.214 52.188 52.037 -0.105 0.000 0.820 115 A CB 1.071 20.034 19.000 -0.060 0.000 1.218 115 A HN 2.029 nan 8.150 nan 0.000 0.482 116 G N -0.919 107.852 108.800 -0.048 0.000 2.175 116 G HA2 0.183 4.145 3.960 0.003 0.000 0.244 116 G HA3 0.183 4.145 3.960 0.003 0.000 0.244 116 G C 0.615 175.515 174.900 0.000 0.000 0.982 116 G CA 0.482 45.573 45.100 -0.016 0.000 0.641 116 G HN 2.036 nan 8.290 nan 0.000 0.527 117 A N -0.170 122.630 122.820 -0.032 0.000 2.259 117 A HA 0.875 5.197 4.320 0.003 0.000 0.278 117 A C 0.464 178.145 177.584 0.161 0.000 1.107 117 A CA 0.858 52.926 52.037 0.051 0.000 0.828 117 A CB 0.591 19.505 19.000 -0.144 0.000 1.111 117 A HN 1.324 nan 8.150 nan 0.000 0.498 118 K N -1.608 118.994 120.400 0.336 0.000 2.579 118 K HA 0.612 4.934 4.320 0.003 0.000 0.284 118 K C -2.121 174.820 176.600 0.568 0.000 0.990 118 K CA -0.713 55.771 56.287 0.328 0.000 0.880 118 K CB 1.607 34.153 32.500 0.076 0.000 1.488 118 K HN 0.610 nan 8.250 nan 0.000 0.425 119 Y N 0.515 121.000 120.300 0.308 0.000 2.264 119 Y HA 0.460 5.011 4.550 0.002 0.000 0.321 119 Y C -1.633 174.414 175.900 0.244 0.000 1.199 119 Y CA -0.195 58.094 58.100 0.315 0.000 1.175 119 Y CB 1.821 40.423 38.460 0.237 0.000 1.213 119 Y HN 0.967 nan 8.280 nan 0.000 0.414 120 T N 4.530 118.987 114.554 -0.162 0.000 2.661 120 T HA 0.566 4.918 4.350 0.003 0.000 0.305 120 T C -1.080 173.231 174.700 -0.648 0.000 1.441 120 T CA -0.619 61.056 62.100 -0.709 0.000 0.999 120 T CB 0.705 69.405 68.868 -0.279 0.000 1.650 120 T HN 0.523 nan 8.240 nan 0.000 0.489 121 L N 1.355 122.126 121.223 -0.753 0.000 2.474 121 L HA 0.655 4.997 4.340 0.003 0.000 0.259 121 L C 0.551 177.132 176.870 -0.483 0.000 1.232 121 L CA -0.018 54.442 54.840 -0.632 0.000 0.821 121 L CB 0.429 41.961 42.059 -0.878 0.000 1.108 121 L HN 0.897 nan 8.230 nan 0.000 0.495 122 A N 0.321 122.720 122.820 -0.702 0.000 2.544 122 A HA 0.641 4.963 4.320 0.003 0.000 0.291 122 A C -0.890 176.214 177.584 -0.800 0.000 1.055 122 A CA -0.362 51.237 52.037 -0.730 0.000 0.651 122 A CB 1.586 19.966 19.000 -1.033 0.000 1.296 122 A HN 0.516 nan 8.150 nan 0.000 0.431 123 T N -0.272 113.994 114.554 -0.480 0.000 2.858 123 T HA 0.631 4.983 4.350 0.003 0.000 0.285 123 T C -0.476 174.221 174.700 -0.005 0.000 1.052 123 T CA -0.195 61.799 62.100 -0.177 0.000 1.009 123 T CB 0.901 69.700 68.868 -0.115 0.000 1.241 123 T HN 1.131 nan 8.240 nan 0.000 0.542 124 N N 0.667 119.417 118.700 0.084 0.000 2.491 124 N HA 0.554 5.296 4.740 0.003 0.000 0.279 124 N C 1.382 176.897 175.510 0.009 0.000 1.236 124 N CA -0.067 53.015 53.050 0.053 0.000 0.982 124 N CB -0.219 38.288 38.487 0.033 0.000 1.194 124 N HN 0.620 nan 8.380 nan 0.000 0.582 125 A N 0.266 123.097 122.820 0.017 0.000 1.881 125 A HA -0.314 4.008 4.320 0.003 0.000 0.219 125 A C 1.977 179.554 177.584 -0.012 0.000 1.215 125 A CA 2.802 54.842 52.037 0.005 0.000 0.648 125 A CB -1.077 17.932 19.000 0.015 0.000 0.832 125 A HN 0.775 nan 8.150 nan 0.000 0.455 126 K N -0.162 120.229 120.400 -0.014 0.000 2.074 126 K HA -0.101 4.221 4.320 0.003 0.000 0.209 126 K C 1.901 178.471 176.600 -0.051 0.000 1.048 126 K CA 2.050 58.321 56.287 -0.028 0.000 0.926 126 K CB -1.151 31.335 32.500 -0.023 0.000 0.713 126 K HN 0.375 nan 8.250 nan 0.000 0.444 127 G N -0.122 108.648 108.800 -0.050 0.000 2.453 127 G HA2 -0.240 3.722 3.960 0.003 0.000 0.215 127 G HA3 -0.240 3.722 3.960 0.003 0.000 0.215 127 G C 1.671 176.508 174.900 -0.106 0.000 1.201 127 G CA 1.274 46.326 45.100 -0.081 0.000 0.784 127 G HN 0.463 nan 8.290 nan 0.000 0.545 128 A N 0.487 123.267 122.820 -0.067 0.000 1.940 128 A HA -0.087 4.235 4.320 0.003 0.000 0.219 128 A C 2.153 179.700 177.584 -0.061 0.000 1.176 128 A CA 2.072 54.076 52.037 -0.055 0.000 0.631 128 A CB -0.496 18.488 19.000 -0.026 0.000 0.814 128 A HN 0.487 nan 8.150 nan 0.000 0.446 129 E N -0.798 119.368 120.200 -0.056 0.000 2.204 129 E HA -0.171 4.181 4.350 0.003 0.000 0.195 129 E C 1.493 178.046 176.600 -0.078 0.000 0.990 129 E CA 0.900 57.270 56.400 -0.050 0.000 0.821 129 E CB -0.064 29.614 29.700 -0.036 0.000 0.750 129 E HN 0.454 nan 8.360 nan 0.000 0.477 130 L N -1.001 120.138 121.223 -0.140 0.000 2.131 130 L HA 0.113 4.455 4.340 0.003 0.000 0.206 130 L C 1.856 178.565 176.870 -0.267 0.000 1.087 130 L CA 1.748 56.452 54.840 -0.228 0.000 0.767 130 L CB 0.017 41.855 42.059 -0.369 0.000 0.917 130 L HN 0.315 nan 8.230 nan 0.000 0.441 131 G N -1.463 107.193 108.800 -0.239 0.000 2.456 131 G HA2 -0.111 3.851 3.960 0.003 0.000 0.208 131 G HA3 -0.111 3.851 3.960 0.003 0.000 0.208 131 G C 0.157 175.043 174.900 -0.023 0.000 1.004 131 G CA -0.453 44.597 45.100 -0.082 0.000 0.791 131 G HN 0.147 nan 8.290 nan 0.000 0.537 132 I N 1.869 122.367 120.570 -0.120 0.000 2.278 132 I HA 0.249 4.421 4.170 0.003 0.000 0.300 132 I C 1.251 177.352 176.117 -0.026 0.000 1.174 132 I CA -0.042 61.238 61.300 -0.034 0.000 1.347 132 I CB 0.503 38.463 38.000 -0.066 0.000 1.473 132 I HN -0.022 nan 8.210 nan 0.000 0.595 133 K N 2.715 123.118 120.400 0.003 0.000 2.462 133 K HA 0.234 4.556 4.320 0.003 0.000 0.201 133 K C 0.006 176.622 176.600 0.026 0.000 1.268 133 K CA 0.106 56.404 56.287 0.020 0.000 0.933 133 K CB 0.601 33.117 32.500 0.027 0.000 1.162 133 K HN 0.433 nan 8.250 nan 0.000 0.527 134 D N -0.729 119.669 120.400 -0.003 0.000 2.299 134 D HA 0.300 4.942 4.640 0.003 0.000 0.243 134 D C 0.552 176.823 176.300 -0.049 0.000 0.982 134 D CA -0.580 53.399 54.000 -0.034 0.000 0.924 134 D CB 1.289 42.041 40.800 -0.079 0.000 1.238 134 D HN -0.154 nan 8.370 nan 0.000 0.484 135 F N 0.710 120.398 119.950 -0.436 0.000 2.161 135 F HA -0.138 4.401 4.527 0.019 0.000 0.300 135 F C 2.148 177.523 175.800 -0.707 0.000 1.089 135 F CA 0.708 58.331 58.000 -0.627 0.000 1.282 135 F CB 0.075 38.459 39.000 -1.026 0.000 1.010 135 F HN 0.307 nan 8.300 nan 0.000 0.485 136 K N -0.106 119.967 120.400 -0.545 0.000 2.281 136 K HA -0.185 4.137 4.320 0.003 0.000 0.203 136 K C 0.962 177.499 176.600 -0.104 0.000 1.046 136 K CA 1.332 57.443 56.287 -0.294 0.000 0.938 136 K CB -0.205 32.211 32.500 -0.140 0.000 0.737 136 K HN 0.301 nan 8.250 nan 0.000 0.458 137 D N 0.360 120.714 120.400 -0.078 0.000 2.348 137 D HA 0.011 4.653 4.640 0.003 0.000 0.211 137 D C 1.669 178.002 176.300 0.054 0.000 0.998 137 D CA 0.435 54.446 54.000 0.018 0.000 0.873 137 D CB 0.060 40.913 40.800 0.089 0.000 0.925 137 D HN 0.162 nan 8.370 nan 0.000 0.524 138 I N 2.095 122.661 120.570 -0.007 0.000 2.076 138 I HA -0.298 3.874 4.170 0.003 0.000 0.237 138 I C 2.685 178.863 176.117 0.101 0.000 1.059 138 I CA 1.334 62.657 61.300 0.038 0.000 1.317 138 I CB -0.527 37.386 38.000 -0.144 0.000 1.037 138 I HN -0.078 nan 8.210 nan 0.000 0.398 139 A N 0.837 123.711 122.820 0.090 0.000 1.957 139 A HA -0.393 3.929 4.320 0.003 0.000 0.224 139 A C 2.402 180.004 177.584 0.030 0.000 1.287 139 A CA 2.822 54.953 52.037 0.158 0.000 0.682 139 A CB -1.403 17.663 19.000 0.110 0.000 0.833 139 A HN 0.553 nan 8.150 nan 0.000 0.482 140 A N -2.314 120.402 122.820 -0.173 0.000 2.178 140 A HA -0.064 4.258 4.320 0.003 0.000 0.218 140 A C 1.247 178.504 177.584 -0.544 0.000 1.157 140 A CA 1.274 53.064 52.037 -0.411 0.000 0.689 140 A CB -0.507 18.124 19.000 -0.616 0.000 0.787 140 A HN 0.716 nan 8.150 nan 0.000 0.465 141 H N -1.572 117.548 119.070 0.083 0.000 2.562 141 H HA 0.231 4.788 4.556 0.002 0.000 0.249 141 H C 0.982 176.352 175.328 0.071 0.000 1.195 141 H CA -0.213 55.873 56.048 0.063 0.000 0.938 141 H CB 0.125 29.919 29.762 0.053 0.000 1.891 141 H HN 0.463 nan 8.280 nan 0.000 0.595 142 K N 1.063 121.518 120.400 0.091 0.000 1.971 142 K HA -0.172 4.150 4.320 0.003 0.000 0.221 142 K C 1.177 177.754 176.600 -0.038 0.000 1.050 142 K CA 1.978 58.240 56.287 -0.042 0.000 0.967 142 K CB 0.214 32.593 32.500 -0.202 0.000 0.733 142 K HN 0.112 nan 8.250 nan 0.000 0.445 143 D N 0.610 120.989 120.400 -0.035 0.000 2.170 143 D HA -0.222 4.420 4.640 0.003 0.000 0.193 143 D C 1.827 178.136 176.300 0.016 0.000 1.004 143 D CA 1.637 55.626 54.000 -0.019 0.000 0.860 143 D CB -0.348 40.447 40.800 -0.009 0.000 0.931 143 D HN 0.450 nan 8.370 nan 0.000 0.448 144 E N 0.422 120.653 120.200 0.052 0.000 2.110 144 E HA -0.139 4.213 4.350 0.003 0.000 0.193 144 E C 2.386 179.021 176.600 0.057 0.000 0.988 144 E CA 0.567 56.999 56.400 0.053 0.000 0.804 144 E CB -0.541 29.197 29.700 0.062 0.000 0.745 144 E HN 0.368 nan 8.360 nan 0.000 0.458 145 L N 0.686 121.959 121.223 0.084 0.000 2.509 145 L HA 0.015 4.357 4.340 0.003 0.000 0.222 145 L C 0.252 177.181 176.870 0.098 0.000 1.123 145 L CA 0.251 55.165 54.840 0.123 0.000 0.856 145 L CB -0.208 41.979 42.059 0.213 0.000 0.985 145 L HN 0.020 nan 8.230 nan 0.000 0.456 146 D N 0.813 121.229 120.400 0.025 0.000 2.716 146 D HA -0.169 4.473 4.640 0.003 0.000 0.239 146 D C 1.077 177.329 176.300 -0.080 0.000 1.125 146 D CA 0.818 54.810 54.000 -0.013 0.000 0.681 146 D CB -1.106 39.714 40.800 0.033 0.000 1.070 146 D HN 0.512 nan 8.370 nan 0.000 0.432 147 G N 0.289 108.946 108.800 -0.237 0.000 2.337 147 G HA2 -0.354 3.608 3.960 0.003 0.000 0.290 147 G HA3 -0.354 3.608 3.960 0.003 0.000 0.290 147 G C 0.212 174.931 174.900 -0.302 0.000 1.003 147 G CA 1.249 46.018 45.100 -0.551 0.000 0.825 147 G HN 0.648 nan 8.290 nan 0.000 0.509 148 K N -1.127 119.303 120.400 0.050 0.000 2.435 148 K HA 0.794 5.116 4.320 0.003 0.000 0.251 148 K C -0.359 176.492 176.600 0.419 0.000 0.954 148 K CA -1.029 55.382 56.287 0.206 0.000 0.820 148 K CB 2.153 34.630 32.500 -0.038 0.000 1.292 148 K HN 0.112 nan 8.250 nan 0.000 0.436 149 I N 1.883 122.597 120.570 0.240 0.000 2.436 149 I HA 0.310 4.482 4.170 0.003 0.000 0.289 149 I C -1.212 174.926 176.117 0.034 0.000 1.010 149 I CA -0.878 60.497 61.300 0.125 0.000 1.098 149 I CB 1.035 38.992 38.000 -0.072 0.000 1.266 149 I HN 0.428 nan 8.210 nan 0.000 0.434 150 Y N 4.057 124.406 120.300 0.081 0.000 2.328 150 Y HA 0.678 5.230 4.550 0.002 0.000 0.337 150 Y C 0.791 176.761 175.900 0.117 0.000 1.008 150 Y CA -0.300 57.855 58.100 0.093 0.000 1.129 150 Y CB 1.744 40.254 38.460 0.083 0.000 1.185 150 Y HN 0.649 nan 8.280 nan 0.000 0.476 151 G N 2.529 111.457 108.800 0.214 0.000 3.122 151 G HA2 0.671 4.633 3.960 0.003 0.000 0.180 151 G HA3 0.671 4.633 3.960 0.003 0.000 0.180 151 G C -0.219 174.814 174.900 0.221 0.000 1.279 151 G CA -0.681 44.544 45.100 0.208 0.000 0.987 151 G HN 0.659 nan 8.290 nan 0.000 0.589 152 I N -2.935 117.755 120.570 0.200 0.000 4.442 152 I HA 0.542 4.714 4.170 0.003 0.000 0.209 152 I C 0.124 176.343 176.117 0.170 0.000 1.016 152 I CA -0.753 60.671 61.300 0.208 0.000 1.579 152 I CB 0.689 38.835 38.000 0.244 0.000 1.300 152 I HN 0.477 nan 8.210 nan 0.000 0.409 153 E N 2.106 122.419 120.200 0.189 0.000 2.437 153 E HA 0.179 4.531 4.350 0.003 0.000 0.263 153 E C -2.556 174.116 176.600 0.120 0.000 1.030 153 E CA -1.350 55.136 56.400 0.144 0.000 0.934 153 E CB -0.412 29.374 29.700 0.143 0.000 0.943 153 E HN 0.270 nan 8.360 nan 0.000 0.444 154 P HA -0.000 nan 4.420 nan 0.000 0.267 154 P C 0.773 178.114 177.300 0.069 0.000 1.201 154 P CA 1.699 64.838 63.100 0.065 0.000 0.775 154 P CB 0.307 32.033 31.700 0.043 0.000 0.854 155 G N 1.103 109.942 108.800 0.064 0.000 2.304 155 G HA2 -0.301 3.661 3.960 0.003 0.000 0.252 155 G HA3 -0.301 3.661 3.960 0.003 0.000 0.252 155 G C 0.565 175.522 174.900 0.096 0.000 1.014 155 G CA -0.037 45.103 45.100 0.068 0.000 0.619 155 G HN 0.750 nan 8.290 nan 0.000 0.525 156 N N 1.717 120.487 118.700 0.117 0.000 2.357 156 N HA 0.025 4.767 4.740 0.003 0.000 0.257 156 N C 1.568 177.139 175.510 0.102 0.000 1.250 156 N CA 0.826 53.959 53.050 0.138 0.000 0.862 156 N CB 0.416 38.985 38.487 0.137 0.000 1.066 156 N HN 0.481 nan 8.380 nan 0.000 0.468 157 D N 3.555 124.015 120.400 0.099 0.000 2.144 157 D HA -0.148 4.494 4.640 0.003 0.000 0.199 157 D C 1.670 177.997 176.300 0.045 0.000 0.984 157 D CA 1.330 55.370 54.000 0.066 0.000 0.834 157 D CB -0.746 40.101 40.800 0.079 0.000 0.955 157 D HN 0.676 nan 8.370 nan 0.000 0.465 158 G N 1.090 109.969 108.800 0.132 0.000 2.453 158 G HA2 -0.322 3.640 3.960 0.003 0.000 0.215 158 G HA3 -0.322 3.640 3.960 0.003 0.000 0.215 158 G C 1.626 176.615 174.900 0.148 0.000 1.201 158 G CA 0.794 46.029 45.100 0.226 0.000 0.784 158 G HN 0.186 nan 8.290 nan 0.000 0.545 159 N N 0.361 119.144 118.700 0.137 0.000 2.111 159 N HA -0.192 4.550 4.740 0.003 0.000 0.197 159 N C 2.075 177.625 175.510 0.065 0.000 1.011 159 N CA 1.556 54.667 53.050 0.103 0.000 0.880 159 N CB -0.338 38.206 38.487 0.095 0.000 1.031 159 N HN 0.502 nan 8.380 nan 0.000 0.444 160 R N 0.367 120.892 120.500 0.042 0.000 2.148 160 R HA 0.034 4.376 4.340 0.003 0.000 0.223 160 R C 1.502 177.791 176.300 -0.018 0.000 1.088 160 R CA 0.848 56.957 56.100 0.014 0.000 0.985 160 R CB -0.090 30.217 30.300 0.012 0.000 0.880 160 R HN 0.235 nan 8.270 nan 0.000 0.451 161 L N 0.041 121.228 121.223 -0.061 0.000 2.416 161 L HA 0.116 4.459 4.340 0.003 0.000 0.216 161 L C 1.978 178.858 176.870 0.017 0.000 1.098 161 L CA 0.242 55.006 54.840 -0.127 0.000 0.840 161 L CB 0.117 41.897 42.059 -0.464 0.000 0.981 161 L HN 0.148 nan 8.230 nan 0.000 0.462 162 I N -0.466 120.159 120.570 0.092 0.000 2.406 162 I HA -0.216 3.956 4.170 0.003 0.000 0.249 162 I C 2.140 178.285 176.117 0.047 0.000 1.122 162 I CA 1.279 62.643 61.300 0.107 0.000 1.431 162 I CB -0.021 38.039 38.000 0.099 0.000 1.087 162 I HN 0.128 nan 8.210 nan 0.000 0.424 163 I N 0.749 121.341 120.570 0.037 0.000 2.546 163 I HA -0.225 3.947 4.170 0.003 0.000 0.255 163 I C 1.610 177.738 176.117 0.019 0.000 1.163 163 I CA 1.225 62.542 61.300 0.028 0.000 1.457 163 I CB -0.280 37.736 38.000 0.027 0.000 1.092 163 I HN 0.151 nan 8.210 nan 0.000 0.434 164 D N 0.118 120.524 120.400 0.010 0.000 2.269 164 D HA -0.077 4.565 4.640 0.003 0.000 0.208 164 D C 2.237 178.536 176.300 -0.002 0.000 0.963 164 D CA 1.014 55.012 54.000 -0.003 0.000 0.864 164 D CB -0.018 40.769 40.800 -0.021 0.000 0.936 164 D HN 0.286 nan 8.370 nan 0.000 0.505 165 M N -0.236 119.374 119.600 0.016 0.000 2.098 165 M HA -0.103 4.379 4.480 0.003 0.000 0.262 165 M C 2.188 178.498 176.300 0.016 0.000 1.072 165 M CA 0.797 56.106 55.300 0.015 0.000 1.133 165 M CB -0.149 32.494 32.600 0.072 0.000 1.344 165 M HN -0.105 nan 8.290 nan 0.000 0.414 166 V N 0.827 120.757 119.914 0.027 0.000 2.250 166 V HA -0.309 3.813 4.120 0.003 0.000 0.250 166 V C 2.039 178.161 176.094 0.046 0.000 1.060 166 V CA 2.105 64.437 62.300 0.054 0.000 1.030 166 V CB -0.868 30.997 31.823 0.070 0.000 0.643 166 V HN 0.500 nan 8.190 nan 0.000 0.445 167 E N -0.576 119.641 120.200 0.028 0.000 2.265 167 E HA -0.196 4.156 4.350 0.003 0.000 0.196 167 E C 2.061 178.666 176.600 0.009 0.000 0.996 167 E CA 0.956 57.367 56.400 0.019 0.000 0.832 167 E CB -0.028 29.679 29.700 0.011 0.000 0.756 167 E HN 0.607 nan 8.360 nan 0.000 0.491 168 K N -1.634 118.767 120.400 0.002 0.000 2.370 168 K HA 0.137 4.459 4.320 0.003 0.000 0.194 168 K C 1.055 177.649 176.600 -0.011 0.000 1.070 168 K CA 0.581 56.860 56.287 -0.012 0.000 0.998 168 K CB 1.483 33.964 32.500 -0.032 0.000 0.911 168 K HN 0.162 nan 8.250 nan 0.000 0.533 169 G N 1.842 110.644 108.800 0.003 0.000 2.163 169 G HA2 -0.207 3.755 3.960 0.003 0.000 0.213 169 G HA3 -0.207 3.755 3.960 0.003 0.000 0.213 169 G C 0.123 175.012 174.900 -0.017 0.000 0.991 169 G CA -0.070 45.035 45.100 0.008 0.000 0.653 169 G HN 0.198 nan 8.290 nan 0.000 0.518 170 T N 0.756 115.278 114.554 -0.053 0.000 2.867 170 T HA 0.360 4.712 4.350 0.003 0.000 0.297 170 T C 0.906 175.581 174.700 -0.043 0.000 0.989 170 T CA 0.805 62.809 62.100 -0.160 0.000 1.159 170 T CB -0.221 68.534 68.868 -0.187 0.000 0.928 170 T HN 0.798 nan 8.240 nan 0.000 0.538 171 F N 1.858 121.835 119.950 0.046 0.000 3.004 171 F HA -0.260 4.264 4.527 -0.004 0.000 0.264 171 F C 1.064 176.884 175.800 0.033 0.000 0.979 171 F CA 0.517 58.545 58.000 0.046 0.000 0.896 171 F CB -1.635 37.409 39.000 0.074 0.000 0.813 171 F HN 0.783 nan 8.300 nan 0.000 0.804 172 D N 0.545 121.040 120.400 0.159 0.000 2.782 172 D HA -0.244 4.398 4.640 0.003 0.000 0.231 172 D C 0.453 176.850 176.300 0.163 0.000 1.163 172 D CA 1.036 55.112 54.000 0.126 0.000 0.680 172 D CB -0.873 39.995 40.800 0.112 0.000 1.062 172 D HN 0.660 nan 8.370 nan 0.000 0.425 173 L N -0.615 120.703 121.223 0.159 0.000 2.737 173 L HA 0.069 4.411 4.340 0.003 0.000 0.236 173 L C 2.242 179.288 176.870 0.293 0.000 1.219 173 L CA -0.259 54.699 54.840 0.196 0.000 1.021 173 L CB -0.087 41.964 42.059 -0.014 0.000 1.291 173 L HN 0.068 nan 8.230 nan 0.000 0.470 174 K N 1.231 121.758 120.400 0.212 0.000 1.973 174 K HA -0.083 4.239 4.320 0.003 0.000 0.212 174 K C 1.459 178.157 176.600 0.163 0.000 1.047 174 K CA 1.415 57.792 56.287 0.150 0.000 0.937 174 K CB -0.268 32.282 32.500 0.084 0.000 0.721 174 K HN 0.361 nan 8.250 nan 0.000 0.440 175 G N 1.121 109.981 108.800 0.099 0.000 3.337 175 G HA2 0.029 3.991 3.960 0.003 0.000 0.226 175 G HA3 0.029 3.991 3.960 0.003 0.000 0.226 175 G C -0.320 174.525 174.900 -0.092 0.000 1.295 175 G CA -0.219 44.877 45.100 -0.007 0.000 1.427 175 G HN 0.065 nan 8.290 nan 0.000 0.535 176 F N -0.577 119.372 119.950 -0.001 0.000 2.450 176 F HA 0.406 4.937 4.527 0.007 0.000 0.332 176 F C 0.432 176.220 175.800 -0.021 0.000 1.093 176 F CA -1.032 56.963 58.000 -0.008 0.000 1.003 176 F CB 2.021 41.020 39.000 -0.001 0.000 1.151 176 F HN 0.089 nan 8.300 nan 0.000 0.474 177 E N 2.692 122.994 120.200 0.171 0.000 2.151 177 E HA 0.434 4.786 4.350 0.003 0.000 0.275 177 E C -1.461 175.178 176.600 0.066 0.000 0.936 177 E CA -0.690 55.757 56.400 0.078 0.000 0.777 177 E CB 1.478 31.174 29.700 -0.006 0.000 1.108 177 E HN 0.392 nan 8.360 nan 0.000 0.401 178 V N 4.883 124.818 119.914 0.034 0.000 2.508 178 V HA 0.055 4.177 4.120 0.003 0.000 0.281 178 V C 0.057 176.112 176.094 -0.065 0.000 1.041 178 V CA -0.429 61.867 62.300 -0.006 0.000 1.016 178 V CB 1.186 33.019 31.823 0.017 0.000 0.984 178 V HN 0.515 nan 8.190 nan 0.000 0.478 179 V N 5.797 125.614 119.914 -0.161 0.000 2.284 179 V HA 0.216 4.338 4.120 0.003 0.000 0.260 179 V C 0.485 176.538 176.094 -0.069 0.000 1.084 179 V CA -0.516 61.636 62.300 -0.247 0.000 0.894 179 V CB -0.083 31.263 31.823 -0.796 0.000 1.119 179 V HN 0.894 nan 8.190 nan 0.000 0.484 180 E N 2.842 123.039 120.200 -0.005 0.000 2.316 180 E HA 0.376 4.728 4.350 0.003 0.000 0.275 180 E C 0.609 177.251 176.600 0.069 0.000 1.029 180 E CA 0.304 56.736 56.400 0.053 0.000 0.871 180 E CB 1.329 31.058 29.700 0.048 0.000 1.022 180 E HN 0.789 nan 8.360 nan 0.000 0.418 181 S N 1.878 117.642 115.700 0.107 0.000 5.328 181 S HA 0.221 4.693 4.470 0.003 0.000 0.141 181 S C 0.051 174.722 174.600 0.119 0.000 1.049 181 S CA 0.263 58.526 58.200 0.105 0.000 1.374 181 S CB 0.617 63.890 63.200 0.121 0.000 2.027 181 S HN 0.596 nan 8.310 nan 0.000 0.659 182 S N -0.279 115.510 115.700 0.148 0.000 2.656 182 S HA 0.433 4.905 4.470 0.003 0.000 0.265 182 S C 0.317 175.050 174.600 0.222 0.000 1.110 182 S CA 0.123 58.430 58.200 0.178 0.000 0.821 182 S CB 0.830 64.112 63.200 0.138 0.000 1.099 182 S HN 0.535 nan 8.310 nan 0.000 0.471 183 E N 0.460 120.841 120.200 0.301 0.000 2.023 183 E HA -0.276 4.076 4.350 0.003 0.000 0.196 183 E C 1.817 178.522 176.600 0.176 0.000 1.003 183 E CA 1.625 58.224 56.400 0.333 0.000 0.809 183 E CB -0.352 29.641 29.700 0.488 0.000 0.755 183 E HN 0.636 nan 8.360 nan 0.000 0.449 184 Q N 0.266 120.164 119.800 0.163 0.000 2.133 184 Q HA -0.181 4.161 4.340 0.003 0.000 0.208 184 Q C 2.048 178.083 176.000 0.059 0.000 0.991 184 Q CA 2.163 58.027 55.803 0.101 0.000 0.867 184 Q CB -0.576 28.221 28.738 0.099 0.000 0.911 184 Q HN 0.402 nan 8.270 nan 0.000 0.417 185 G N 0.954 109.802 108.800 0.080 0.000 2.394 185 G HA2 -0.235 3.727 3.960 0.003 0.000 0.215 185 G HA3 -0.235 3.727 3.960 0.003 0.000 0.215 185 G C 1.475 176.400 174.900 0.042 0.000 1.165 185 G CA 0.716 45.855 45.100 0.065 0.000 0.784 185 G HN 0.412 nan 8.290 nan 0.000 0.535 186 M N 0.032 119.670 119.600 0.062 0.000 2.296 186 M HA 0.120 4.602 4.480 0.003 0.000 0.265 186 M C 2.014 178.198 176.300 -0.193 0.000 1.064 186 M CA 1.153 56.471 55.300 0.030 0.000 1.109 186 M CB -0.070 32.609 32.600 0.132 0.000 1.396 186 M HN 0.217 nan 8.290 nan 0.000 0.430 187 L N -0.730 120.380 121.223 -0.188 0.000 2.416 187 L HA 0.115 4.457 4.340 0.003 0.000 0.216 187 L C 2.546 179.289 176.870 -0.211 0.000 1.098 187 L CA 0.376 55.029 54.840 -0.312 0.000 0.840 187 L CB -0.662 41.253 42.059 -0.240 0.000 0.981 187 L HN 0.256 nan 8.230 nan 0.000 0.462 188 A N -0.181 122.573 122.820 -0.110 0.000 2.067 188 A HA -0.217 4.105 4.320 0.003 0.000 0.219 188 A C 2.205 179.715 177.584 -0.124 0.000 1.158 188 A CA 1.448 53.442 52.037 -0.072 0.000 0.661 188 A CB -0.237 18.750 19.000 -0.022 0.000 0.801 188 A HN 0.371 nan 8.150 nan 0.000 0.452 189 Q N -0.437 119.237 119.800 -0.211 0.000 2.163 189 Q HA -0.026 4.316 4.340 0.003 0.000 0.198 189 Q C 1.796 177.542 176.000 -0.423 0.000 0.954 189 Q CA 1.555 57.163 55.803 -0.324 0.000 0.851 189 Q CB -0.262 28.167 28.738 -0.515 0.000 0.928 189 Q HN 0.352 nan 8.270 nan 0.000 0.459 190 V N 0.865 120.445 119.914 -0.556 0.000 2.392 190 V HA -0.276 3.846 4.120 0.003 0.000 0.249 190 V C 2.230 178.082 176.094 -0.403 0.000 1.059 190 V CA 1.791 63.649 62.300 -0.736 0.000 1.051 190 V CB -1.380 29.667 31.823 -1.294 0.000 0.658 190 V HN 0.471 nan 8.190 nan 0.000 0.455 191 A N -0.199 122.501 122.820 -0.200 0.000 1.854 191 A HA -0.163 4.159 4.320 0.003 0.000 0.214 191 A C 2.413 179.997 177.584 -0.001 0.000 1.192 191 A CA 1.592 53.677 52.037 0.079 0.000 0.611 191 A CB -0.529 18.536 19.000 0.109 0.000 0.832 191 A HN 0.424 nan 8.150 nan 0.000 0.442 192 R N -0.614 119.845 120.500 -0.070 0.000 2.136 192 R HA -0.250 4.092 4.340 0.003 0.000 0.242 192 R C 2.460 178.721 176.300 -0.065 0.000 1.131 192 R CA 1.709 57.769 56.100 -0.067 0.000 0.937 192 R CB -0.623 29.623 30.300 -0.090 0.000 0.863 192 R HN 0.516 nan 8.270 nan 0.000 0.435 193 A N 0.627 123.380 122.820 -0.112 0.000 1.958 193 A HA -0.286 4.036 4.320 0.003 0.000 0.221 193 A C 2.007 179.562 177.584 -0.048 0.000 1.178 193 A CA 2.004 53.978 52.037 -0.104 0.000 0.642 193 A CB -0.520 18.370 19.000 -0.184 0.000 0.816 193 A HN 0.573 nan 8.150 nan 0.000 0.453 194 E N -0.117 120.078 120.200 -0.009 0.000 2.014 194 E HA -0.205 4.147 4.350 0.003 0.000 0.190 194 E C 2.079 178.684 176.600 0.009 0.000 0.980 194 E CA 1.125 57.550 56.400 0.042 0.000 0.807 194 E CB -0.230 29.564 29.700 0.157 0.000 0.770 194 E HN 0.634 nan 8.360 nan 0.000 0.451 195 K N 0.589 120.992 120.400 0.006 0.000 2.127 195 K HA -0.212 4.110 4.320 0.003 0.000 0.212 195 K C 1.755 178.348 176.600 -0.013 0.000 1.050 195 K CA 2.206 58.488 56.287 -0.009 0.000 0.929 195 K CB -0.442 32.052 32.500 -0.010 0.000 0.715 195 K HN 0.128 nan 8.250 nan 0.000 0.457 196 S N -0.777 114.913 115.700 -0.016 0.000 2.574 196 S HA 0.246 4.719 4.470 0.003 0.000 0.242 196 S C 0.967 175.557 174.600 -0.017 0.000 0.982 196 S CA 0.023 58.212 58.200 -0.017 0.000 0.977 196 S CB 0.123 63.311 63.200 -0.021 0.000 0.814 196 S HN 0.669 nan 8.310 nan 0.000 0.464 197 G N 1.545 110.337 108.800 -0.014 0.000 2.420 197 G HA2 -0.238 3.724 3.960 0.003 0.000 0.305 197 G HA3 -0.238 3.724 3.960 0.003 0.000 0.305 197 G C -0.231 174.659 174.900 -0.016 0.000 0.971 197 G CA 0.742 45.835 45.100 -0.013 0.000 0.843 197 G HN 0.637 nan 8.290 nan 0.000 0.512 198 D N 0.226 120.613 120.400 -0.022 0.000 2.229 198 D HA 0.428 5.070 4.640 0.003 0.000 0.249 198 D C -2.207 174.076 176.300 -0.027 0.000 1.027 198 D CA -1.133 52.854 54.000 -0.022 0.000 0.923 198 D CB 1.909 42.694 40.800 -0.025 0.000 1.174 198 D HN 0.099 nan 8.370 nan 0.000 0.443 199 P HA 0.415 nan 4.420 nan 0.000 0.282 199 P C -0.691 176.608 177.300 -0.002 0.000 1.249 199 P CA -0.391 62.701 63.100 -0.013 0.000 0.806 199 P CB 1.616 33.310 31.700 -0.010 0.000 0.984 200 I N 1.504 122.078 120.570 0.006 0.000 2.913 200 I HA 0.436 4.608 4.170 0.003 0.000 0.302 200 I C -1.589 174.606 176.117 0.131 0.000 1.246 200 I CA -1.144 60.178 61.300 0.036 0.000 1.010 200 I CB 2.417 40.347 38.000 -0.116 0.000 1.259 200 I HN 0.000 nan 8.210 nan 0.000 0.434 201 V N 7.082 127.102 119.914 0.177 0.000 2.525 201 V HA 0.613 4.735 4.120 0.003 0.000 0.299 201 V C -0.696 175.517 176.094 0.199 0.000 1.034 201 V CA -0.461 61.879 62.300 0.066 0.000 0.863 201 V CB 1.164 32.954 31.823 -0.054 0.000 0.999 201 V HN 0.697 nan 8.190 nan 0.000 0.423 202 F N 2.460 122.338 119.950 -0.119 0.000 3.016 202 F HA 0.843 5.374 4.527 0.008 0.000 0.324 202 F C -1.438 174.299 175.800 -0.104 0.000 1.196 202 F CA -1.578 56.383 58.000 -0.066 0.000 0.929 202 F CB 1.427 40.359 39.000 -0.113 0.000 1.440 202 F HN 0.213 nan 8.300 nan 0.000 0.505 203 L N 1.440 122.750 121.223 0.145 0.000 2.289 203 L HA 0.750 5.092 4.340 0.003 0.000 0.285 203 L C 0.303 177.303 176.870 0.216 0.000 1.049 203 L CA -0.365 54.539 54.840 0.107 0.000 0.804 203 L CB 1.234 43.527 42.059 0.390 0.000 1.195 203 L HN 0.916 nan 8.230 nan 0.000 0.428 204 G N 1.636 110.447 108.800 0.019 0.000 2.537 204 G HA2 0.753 4.715 3.960 0.003 0.000 0.308 204 G HA3 0.753 4.715 3.960 0.003 0.000 0.308 204 G C -2.043 173.248 174.900 0.652 0.000 1.237 204 G CA -0.479 44.645 45.100 0.039 0.000 0.968 204 G HN 0.746 nan 8.290 nan 0.000 0.481 205 W N -0.819 120.708 121.300 0.378 0.000 3.064 205 W HA 0.684 5.344 4.660 -0.000 0.000 0.328 205 W C -1.312 175.407 176.519 0.332 0.000 1.210 205 W CA -1.110 56.463 57.345 0.380 0.000 1.178 205 W CB 0.907 30.497 29.460 0.217 0.000 1.416 205 W HN 0.557 nan 8.180 nan 0.000 0.568 206 E N 2.180 122.709 120.200 0.548 0.000 2.210 206 E HA 0.472 4.824 4.350 0.003 0.000 0.266 206 E C -2.489 174.394 176.600 0.471 0.000 0.883 206 E CA -2.070 54.565 56.400 0.390 0.000 0.761 206 E CB 2.863 32.682 29.700 0.199 0.000 1.156 206 E HN 0.057 nan 8.360 nan 0.000 0.412 207 P HA 0.251 nan 4.420 nan 0.000 0.282 207 P C -1.070 176.457 177.300 0.378 0.000 1.259 207 P CA -0.242 63.030 63.100 0.287 0.000 0.826 207 P CB 1.063 32.865 31.700 0.170 0.000 1.064 208 H N 0.663 119.805 119.070 0.121 0.000 3.120 208 H HA 0.112 4.670 4.556 0.003 0.000 0.314 208 H C -2.360 172.974 175.328 0.011 0.000 1.151 208 H CA -1.014 55.050 56.048 0.026 0.000 1.404 208 H CB 1.596 31.214 29.762 -0.240 0.000 2.031 208 H HN 0.062 nan 8.280 nan 0.000 0.513 209 P HA -0.265 nan 4.420 nan 0.000 0.222 209 P C 1.918 179.370 177.300 0.252 0.000 1.155 209 P CA 3.180 66.298 63.100 0.031 0.000 0.890 209 P CB -0.177 31.452 31.700 -0.118 0.000 0.790 210 M N -2.948 116.959 119.600 0.513 0.000 2.337 210 M HA -0.173 4.310 4.480 0.003 0.000 0.261 210 M C 1.381 177.797 176.300 0.194 0.000 1.067 210 M CA 1.949 57.396 55.300 0.245 0.000 1.074 210 M CB -0.770 31.726 32.600 -0.173 0.000 1.395 210 M HN -0.103 nan 8.290 nan 0.000 0.431 211 N N 1.111 119.914 118.700 0.171 0.000 2.300 211 N HA 0.039 4.781 4.740 0.003 0.000 0.179 211 N C 1.647 177.233 175.510 0.127 0.000 1.016 211 N CA 1.562 54.706 53.050 0.157 0.000 0.876 211 N CB -0.002 38.583 38.487 0.163 0.000 0.979 211 N HN 0.598 nan 8.380 nan 0.000 0.432 212 A N 0.229 123.112 122.820 0.105 0.000 2.267 212 A HA 0.148 4.470 4.320 0.003 0.000 0.213 212 A C 1.794 179.396 177.584 0.030 0.000 1.192 212 A CA 0.074 52.147 52.037 0.061 0.000 0.851 212 A CB 0.084 19.110 19.000 0.043 0.000 0.881 212 A HN 0.131 nan 8.150 nan 0.000 0.494 213 N N -1.053 117.692 118.700 0.075 0.000 2.376 213 N HA 0.141 4.883 4.740 0.003 0.000 0.177 213 N C -0.753 174.567 175.510 -0.318 0.000 1.024 213 N CA 0.868 53.898 53.050 -0.033 0.000 0.893 213 N CB 0.204 38.780 38.487 0.148 0.000 0.980 213 N HN 0.400 nan 8.380 nan 0.000 0.439 214 F N -0.146 119.786 119.950 -0.030 0.000 2.643 214 F HA 0.345 4.874 4.527 0.003 0.000 0.314 214 F C 0.102 175.888 175.800 -0.023 0.000 1.096 214 F CA -1.017 56.957 58.000 -0.044 0.000 0.953 214 F CB 1.165 40.116 39.000 -0.080 0.000 1.345 214 F HN -0.502 nan 8.300 nan 0.000 0.468 215 K N 2.108 122.617 120.400 0.183 0.000 2.187 215 K HA 0.411 4.733 4.320 0.003 0.000 0.242 215 K C -1.219 175.439 176.600 0.096 0.000 1.179 215 K CA -0.097 56.253 56.287 0.105 0.000 1.097 215 K CB -0.570 31.967 32.500 0.062 0.000 1.634 215 K HN 0.402 nan 8.250 nan 0.000 0.335 216 L N 1.580 122.849 121.223 0.076 0.000 2.290 216 L HA 0.261 4.603 4.340 0.003 0.000 0.284 216 L C 0.064 176.904 176.870 -0.049 0.000 1.078 216 L CA 0.423 55.253 54.840 -0.016 0.000 0.815 216 L CB 1.325 43.330 42.059 -0.091 0.000 1.162 216 L HN 0.344 nan 8.230 nan 0.000 0.435 217 T N 3.888 118.383 114.554 -0.098 0.000 2.929 217 T HA 0.329 4.681 4.350 0.003 0.000 0.331 217 T C -0.301 174.330 174.700 -0.116 0.000 1.120 217 T CA -0.362 61.708 62.100 -0.051 0.000 0.973 217 T CB -0.380 68.477 68.868 -0.019 0.000 1.036 217 T HN 0.126 nan 8.240 nan 0.000 0.502 218 Y N 2.338 122.592 120.300 -0.078 0.000 2.702 218 Y HA 0.132 4.687 4.550 0.007 0.000 0.336 218 Y C 0.912 176.880 175.900 0.114 0.000 1.235 218 Y CA -0.263 57.812 58.100 -0.042 0.000 1.492 218 Y CB 0.186 38.596 38.460 -0.083 0.000 1.308 218 Y HN 0.453 nan 8.280 nan 0.000 0.589 219 L N 2.616 123.989 121.223 0.249 0.000 2.399 219 L HA 0.447 4.789 4.340 0.003 0.000 0.265 219 L C 0.381 177.393 176.870 0.236 0.000 1.089 219 L CA -0.764 54.214 54.840 0.229 0.000 0.802 219 L CB 1.121 43.247 42.059 0.110 0.000 1.180 219 L HN 0.679 nan 8.230 nan 0.000 0.454 220 S N -0.687 115.025 115.700 0.019 0.000 2.707 220 S HA 0.657 5.129 4.470 0.003 0.000 0.276 220 S C 0.852 175.281 174.600 -0.284 0.000 1.179 220 S CA -0.093 57.916 58.200 -0.319 0.000 0.992 220 S CB 1.394 64.427 63.200 -0.279 0.000 1.030 220 S HN 1.094 nan 8.310 nan 0.000 0.554 221 G N -0.580 107.993 108.800 -0.378 0.000 2.148 221 G HA2 -0.157 3.805 3.960 0.003 0.000 0.254 221 G HA3 -0.157 3.805 3.960 0.003 0.000 0.254 221 G C 0.711 175.291 174.900 -0.533 0.000 0.981 221 G CA 0.202 45.098 45.100 -0.340 0.000 0.670 221 G HN 1.477 nan 8.290 nan 0.000 0.528 222 G N -0.237 108.008 108.800 -0.925 0.000 3.088 222 G HA2 0.345 4.308 3.960 0.003 0.000 0.217 222 G HA3 0.345 4.308 3.960 0.003 0.000 0.217 222 G C 0.982 175.633 174.900 -0.414 0.000 1.159 222 G CA 1.119 45.457 45.100 -1.269 0.000 0.760 222 G HN 0.364 nan 8.290 nan 0.000 0.550 223 D N 1.592 121.837 120.400 -0.258 0.000 2.200 223 D HA -0.145 4.497 4.640 0.003 0.000 0.192 223 D C 1.133 177.406 176.300 -0.044 0.000 1.008 223 D CA 1.235 55.168 54.000 -0.112 0.000 0.872 223 D CB 0.008 40.751 40.800 -0.095 0.000 0.923 223 D HN 0.196 nan 8.370 nan 0.000 0.447 224 D N -1.062 119.317 120.400 -0.035 0.000 2.325 224 D HA 0.076 4.718 4.640 0.003 0.000 0.234 224 D C 1.088 177.376 176.300 -0.020 0.000 1.122 224 D CA 0.093 54.078 54.000 -0.025 0.000 0.850 224 D CB 0.751 41.529 40.800 -0.037 0.000 0.921 224 D HN 0.120 nan 8.370 nan 0.000 0.513 225 V N -1.314 118.611 119.914 0.017 0.000 3.151 225 V HA 0.080 4.202 4.120 0.003 0.000 0.235 225 V C 0.778 176.816 176.094 -0.093 0.000 1.501 225 V CA 0.088 62.386 62.300 -0.003 0.000 1.211 225 V CB 0.252 32.148 31.823 0.121 0.000 1.049 225 V HN -0.002 nan 8.190 nan 0.000 0.455 226 F N 1.059 120.992 119.950 -0.028 0.000 2.694 226 F HA 0.671 5.195 4.527 -0.004 0.000 0.292 226 F C 1.202 177.016 175.800 0.023 0.000 1.121 226 F CA 0.599 58.604 58.000 0.009 0.000 1.352 226 F CB 1.028 40.023 39.000 -0.008 0.000 1.107 226 F HN 0.276 nan 8.300 nan 0.000 0.597 227 G N 0.215 109.099 108.800 0.139 0.000 2.484 227 G HA2 0.032 3.994 3.960 0.003 0.000 0.685 227 G HA3 0.032 3.994 3.960 0.003 0.000 0.685 227 G C -3.115 171.811 174.900 0.045 0.000 1.294 227 G CA -1.558 43.596 45.100 0.089 0.000 0.879 227 G HN -0.214 nan 8.290 nan 0.000 0.646 228 P HA 0.227 nan 4.420 nan 0.000 0.270 228 P C 0.635 177.960 177.300 0.041 0.000 1.227 228 P CA 0.495 63.596 63.100 0.002 0.000 0.788 228 P CB 0.324 32.031 31.700 0.011 0.000 0.926 229 N N 0.730 119.452 118.700 0.037 0.000 2.738 229 N HA -0.236 4.507 4.740 0.003 0.000 0.249 229 N C -0.929 174.762 175.510 0.300 0.000 1.047 229 N CA 0.550 53.693 53.050 0.155 0.000 0.707 229 N CB -2.077 36.484 38.487 0.125 0.000 0.937 229 N HN 0.419 nan 8.380 nan 0.000 0.545 230 Y N -2.221 118.063 120.300 -0.027 0.000 3.396 230 Y HA -0.207 4.346 4.550 0.004 0.000 0.214 230 Y C 1.572 177.475 175.900 0.005 0.000 1.203 230 Y CA 1.808 59.890 58.100 -0.031 0.000 1.401 230 Y CB -1.799 36.637 38.460 -0.040 0.000 1.409 230 Y HN 0.838 nan 8.280 nan 0.000 0.594 231 G N -1.314 107.591 108.800 0.175 0.000 2.204 231 G HA2 0.033 3.995 3.960 0.003 0.000 0.244 231 G HA3 0.033 3.995 3.960 0.003 0.000 0.244 231 G C 0.577 175.623 174.900 0.243 0.000 1.062 231 G CA 0.119 45.357 45.100 0.230 0.000 0.798 231 G HN 1.497 nan 8.290 nan 0.000 0.496 232 G N 0.045 108.950 108.800 0.174 0.000 2.151 232 G HA2 0.544 4.506 3.960 0.003 0.000 0.269 232 G HA3 0.544 4.506 3.960 0.003 0.000 0.269 232 G C 0.586 175.583 174.900 0.163 0.000 1.069 232 G CA 1.052 46.237 45.100 0.141 0.000 1.080 232 G HN 1.756 nan 8.290 nan 0.000 0.405 233 A N 3.126 126.053 122.820 0.178 0.000 2.325 233 A HA 0.926 5.248 4.320 0.003 0.000 0.333 233 A C 0.516 178.082 177.584 -0.031 0.000 1.155 233 A CA -0.217 51.917 52.037 0.162 0.000 0.814 233 A CB 1.381 20.601 19.000 0.366 0.000 1.206 233 A HN 1.183 nan 8.150 nan 0.000 0.482 234 T N -0.967 113.546 114.554 -0.068 0.000 2.885 234 T HA 0.688 5.040 4.350 0.003 0.000 0.285 234 T C -0.411 174.036 174.700 -0.422 0.000 1.019 234 T CA -0.635 61.328 62.100 -0.229 0.000 1.010 234 T CB 1.200 70.001 68.868 -0.112 0.000 1.022 234 T HN 0.639 nan 8.240 nan 0.000 0.466 235 V N 2.148 121.671 119.914 -0.652 0.000 2.769 235 V HA 0.677 4.799 4.120 0.003 0.000 0.312 235 V C -0.841 174.907 176.094 -0.576 0.000 1.058 235 V CA -0.920 60.997 62.300 -0.638 0.000 0.952 235 V CB 1.372 32.709 31.823 -0.810 0.000 1.019 235 V HN 1.059 nan 8.190 nan 0.000 0.445 236 H N -0.569 118.392 119.070 -0.181 0.000 2.930 236 H HA 0.532 5.088 4.556 0.000 0.000 0.371 236 H C -0.431 174.849 175.328 -0.080 0.000 1.169 236 H CA -0.576 55.422 56.048 -0.084 0.000 1.157 236 H CB 1.595 31.340 29.762 -0.028 0.000 1.789 236 H HN 0.618 nan 8.280 nan 0.000 0.547 237 T N 3.094 117.705 114.554 0.095 0.000 2.851 237 T HA 0.230 4.582 4.350 0.003 0.000 0.298 237 T C 0.093 174.846 174.700 0.087 0.000 0.977 237 T CA -0.536 61.599 62.100 0.057 0.000 1.126 237 T CB -0.061 68.840 68.868 0.055 0.000 0.916 237 T HN 0.411 nan 8.240 nan 0.000 0.529 238 N N 1.705 120.456 118.700 0.084 0.000 2.319 238 N HA 0.670 5.413 4.740 0.003 0.000 0.305 238 N C -0.928 174.606 175.510 0.040 0.000 1.103 238 N CA -0.541 52.581 53.050 0.120 0.000 0.815 238 N CB 2.155 40.789 38.487 0.245 0.000 1.288 238 N HN 0.318 nan 8.380 nan 0.000 0.493 239 V N 0.712 120.637 119.914 0.018 0.000 3.126 239 V HA 0.506 4.628 4.120 0.003 0.000 0.314 239 V C -0.508 175.570 176.094 -0.027 0.000 1.138 239 V CA -0.980 61.270 62.300 -0.085 0.000 1.034 239 V CB 2.305 34.095 31.823 -0.054 0.000 1.075 239 V HN 0.679 nan 8.190 nan 0.000 0.442 240 R N 2.725 123.186 120.500 -0.065 0.000 2.490 240 R HA 0.706 5.048 4.340 0.003 0.000 0.278 240 R C 0.082 176.445 176.300 0.105 0.000 1.069 240 R CA -0.043 56.075 56.100 0.030 0.000 1.080 240 R CB 0.436 30.752 30.300 0.026 0.000 1.030 240 R HN 0.799 nan 8.270 nan 0.000 0.491 241 A N 1.681 124.556 122.820 0.092 0.000 2.572 241 A HA 0.246 4.568 4.320 0.003 0.000 0.256 241 A C 1.547 179.186 177.584 0.093 0.000 1.041 241 A CA 0.895 52.984 52.037 0.087 0.000 0.790 241 A CB -1.107 17.939 19.000 0.076 0.000 0.947 241 A HN 1.159 nan 8.150 nan 0.000 0.518 242 G N 1.483 110.334 108.800 0.085 0.000 2.179 242 G HA2 -0.392 3.570 3.960 0.003 0.000 0.260 242 G HA3 -0.392 3.570 3.960 0.003 0.000 0.260 242 G C 0.819 175.758 174.900 0.065 0.000 0.977 242 G CA 1.104 46.240 45.100 0.060 0.000 0.641 242 G HN 1.379 nan 8.290 nan 0.000 0.533 243 Y N 2.150 122.447 120.300 -0.005 0.000 2.207 243 Y HA -0.158 4.394 4.550 0.004 0.000 0.287 243 Y C 3.067 178.957 175.900 -0.016 0.000 1.156 243 Y CA 3.159 61.248 58.100 -0.019 0.000 1.182 243 Y CB -0.244 38.196 38.460 -0.033 0.000 0.979 243 Y HN 0.538 nan 8.280 nan 0.000 0.521 244 T N -4.073 110.547 114.554 0.111 0.000 3.051 244 T HA -0.111 4.241 4.350 0.003 0.000 0.269 244 T C 1.307 175.987 174.700 -0.034 0.000 1.127 244 T CA 1.539 63.671 62.100 0.053 0.000 1.107 244 T CB -0.620 68.292 68.868 0.073 0.000 0.898 244 T HN 0.423 nan 8.240 nan 0.000 0.517 245 T N -0.169 114.347 114.554 -0.064 0.000 3.000 245 T HA 0.238 4.590 4.350 0.003 0.000 0.248 245 T C 1.632 176.269 174.700 -0.106 0.000 1.034 245 T CA 0.325 62.389 62.100 -0.061 0.000 1.060 245 T CB 0.274 69.124 68.868 -0.029 0.000 0.983 245 T HN 0.556 nan 8.240 nan 0.000 0.482 246 E N 0.651 120.742 120.200 -0.182 0.000 2.060 246 E HA -0.022 4.330 4.350 0.003 0.000 0.189 246 E C -0.000 176.423 176.600 -0.295 0.000 0.974 246 E CA 0.681 56.947 56.400 -0.223 0.000 0.808 246 E CB 0.208 29.759 29.700 -0.249 0.000 0.768 246 E HN 0.368 nan 8.360 nan 0.000 0.453 247 c N 2.780 121.070 118.600 -0.517 0.000 2.376 247 c HA 0.368 4.940 4.570 0.003 0.000 0.341 247 c C -1.863 172.093 174.090 -0.224 0.000 1.106 247 c CA -1.331 54.745 56.329 -0.423 0.000 1.631 247 c CB 0.123 42.198 42.510 -0.724 0.000 1.649 247 c HN 0.411 nan 8.230 nan 0.000 0.456 248 P HA -0.075 nan 4.420 nan 0.000 0.216 248 P C 1.552 178.856 177.300 0.007 0.000 1.153 248 P CA 1.350 64.427 63.100 -0.038 0.000 0.844 248 P CB 0.245 31.932 31.700 -0.022 0.000 0.787 249 N N -0.375 118.344 118.700 0.032 0.000 2.025 249 N HA -0.130 4.612 4.740 0.003 0.000 0.194 249 N C 1.631 177.173 175.510 0.053 0.000 1.044 249 N CA 1.422 54.521 53.050 0.082 0.000 0.851 249 N CB -1.173 37.419 38.487 0.175 0.000 1.036 249 N HN -0.152 nan 8.380 nan 0.000 0.422 250 V N 0.496 120.404 119.914 -0.009 0.000 2.380 250 V HA -0.220 3.902 4.120 0.003 0.000 0.251 250 V C 1.918 178.032 176.094 0.033 0.000 1.063 250 V CA 2.141 64.392 62.300 -0.081 0.000 1.055 250 V CB -0.795 30.970 31.823 -0.096 0.000 0.657 250 V HN 0.326 nan 8.190 nan 0.000 0.455 251 D N -0.052 120.396 120.400 0.079 0.000 2.178 251 D HA -0.156 4.486 4.640 0.003 0.000 0.202 251 D C 2.057 178.395 176.300 0.063 0.000 0.974 251 D CA 0.857 54.922 54.000 0.108 0.000 0.841 251 D CB -0.073 40.793 40.800 0.110 0.000 0.953 251 D HN 0.224 nan 8.370 nan 0.000 0.478 252 K N 0.216 120.647 120.400 0.051 0.000 2.009 252 K HA -0.109 4.213 4.320 0.003 0.000 0.210 252 K C 2.003 178.632 176.600 0.048 0.000 1.049 252 K CA 0.877 57.194 56.287 0.051 0.000 0.929 252 K CB -0.989 31.545 32.500 0.056 0.000 0.714 252 K HN 0.228 nan 8.250 nan 0.000 0.440 253 L N 0.762 122.009 121.223 0.040 0.000 1.990 253 L HA -0.160 4.182 4.340 0.003 0.000 0.213 253 L C 1.921 178.778 176.870 -0.022 0.000 1.072 253 L CA 1.817 56.668 54.840 0.018 0.000 0.755 253 L CB -0.757 41.301 42.059 -0.002 0.000 0.889 253 L HN 0.264 nan 8.230 nan 0.000 0.432 254 L N -0.976 120.242 121.223 -0.010 0.000 2.083 254 L HA -0.182 4.160 4.340 0.003 0.000 0.209 254 L C 2.689 179.556 176.870 -0.004 0.000 1.083 254 L CA 1.217 56.048 54.840 -0.016 0.000 0.752 254 L CB -0.969 41.102 42.059 0.020 0.000 0.899 254 L HN 0.372 nan 8.230 nan 0.000 0.433 255 Q N 0.117 119.931 119.800 0.023 0.000 2.226 255 Q HA -0.163 4.179 4.340 0.003 0.000 0.204 255 Q C 1.650 177.670 176.000 0.034 0.000 0.975 255 Q CA 1.252 57.075 55.803 0.034 0.000 0.866 255 Q CB -0.030 28.734 28.738 0.043 0.000 0.915 255 Q HN 0.559 nan 8.270 nan 0.000 0.440 256 N N -0.181 118.543 118.700 0.041 0.000 2.432 256 N HA -0.003 4.739 4.740 0.003 0.000 0.174 256 N C 0.292 175.870 175.510 0.114 0.000 1.037 256 N CA -0.024 53.076 53.050 0.084 0.000 0.892 256 N CB 0.059 38.617 38.487 0.119 0.000 1.049 256 N HN 0.108 nan 8.380 nan 0.000 0.442 257 L N 2.003 123.210 121.223 -0.027 0.000 2.500 257 L HA 0.232 4.574 4.340 0.003 0.000 0.272 257 L C -0.061 176.650 176.870 -0.266 0.000 1.149 257 L CA -0.050 54.627 54.840 -0.272 0.000 0.897 257 L CB 0.012 41.725 42.059 -0.577 0.000 1.178 257 L HN 0.147 nan 8.230 nan 0.000 0.473 258 S N 3.768 119.376 115.700 -0.152 0.000 2.540 258 S HA 0.731 5.203 4.470 0.003 0.000 0.275 258 S C -0.558 173.944 174.600 -0.163 0.000 1.123 258 S CA -0.825 57.262 58.200 -0.189 0.000 0.907 258 S CB 0.857 64.050 63.200 -0.012 0.000 1.081 258 S HN 0.437 nan 8.310 nan 0.000 0.476 259 F N 1.406 121.428 119.950 0.121 0.000 2.452 259 F HA 0.807 5.335 4.527 0.002 0.000 0.353 259 F C 1.081 176.909 175.800 0.048 0.000 1.089 259 F CA -0.479 57.575 58.000 0.091 0.000 1.080 259 F CB 1.466 40.448 39.000 -0.030 0.000 1.399 259 F HN 0.865 nan 8.300 nan 0.000 0.492 260 S N -0.448 115.392 115.700 0.233 0.000 2.569 260 S HA 0.485 4.957 4.470 0.003 0.000 0.280 260 S C 0.103 174.758 174.600 0.092 0.000 1.111 260 S CA -0.895 57.385 58.200 0.133 0.000 0.887 260 S CB 1.170 64.450 63.200 0.133 0.000 1.095 260 S HN 0.611 nan 8.310 nan 0.000 0.476 261 L N 0.771 122.034 121.223 0.067 0.000 2.191 261 L HA -0.083 4.259 4.340 0.003 0.000 0.212 261 L C 2.854 179.767 176.870 0.072 0.000 1.103 261 L CA 1.498 56.374 54.840 0.059 0.000 0.769 261 L CB -0.788 41.305 42.059 0.058 0.000 0.908 261 L HN 0.907 nan 8.230 nan 0.000 0.438 262 Q N 0.770 120.627 119.800 0.096 0.000 2.079 262 Q HA -0.245 4.097 4.340 0.003 0.000 0.200 262 Q C 2.394 178.493 176.000 0.165 0.000 0.974 262 Q CA 1.705 57.586 55.803 0.131 0.000 0.840 262 Q CB -0.125 28.704 28.738 0.150 0.000 0.898 262 Q HN 0.528 nan 8.270 nan 0.000 0.430 263 M N 0.223 119.910 119.600 0.146 0.000 2.086 263 M HA -0.206 4.276 4.480 0.003 0.000 0.261 263 M C 1.636 177.814 176.300 -0.203 0.000 1.067 263 M CA 1.870 57.137 55.300 -0.055 0.000 1.116 263 M CB -0.121 32.375 32.600 -0.173 0.000 1.348 263 M HN 0.290 nan 8.290 nan 0.000 0.407 264 E N 0.079 120.222 120.200 -0.095 0.000 2.072 264 E HA -0.191 4.161 4.350 0.003 0.000 0.191 264 E C 1.619 178.180 176.600 -0.066 0.000 0.985 264 E CA 1.490 57.823 56.400 -0.111 0.000 0.801 264 E CB -0.305 29.360 29.700 -0.058 0.000 0.750 264 E HN 0.663 nan 8.360 nan 0.000 0.452 265 N N 0.554 119.250 118.700 -0.006 0.000 2.223 265 N HA -0.145 4.597 4.740 0.003 0.000 0.185 265 N C 1.741 177.256 175.510 0.009 0.000 1.016 265 N CA 0.799 53.852 53.050 0.005 0.000 0.863 265 N CB 0.129 38.641 38.487 0.041 0.000 0.983 265 N HN 0.160 nan 8.380 nan 0.000 0.429 266 E N 0.452 120.678 120.200 0.043 0.000 2.001 266 E HA -0.156 4.196 4.350 0.003 0.000 0.195 266 E C 1.887 178.523 176.600 0.060 0.000 1.002 266 E CA 1.100 57.570 56.400 0.117 0.000 0.819 266 E CB -0.036 29.863 29.700 0.332 0.000 0.769 266 E HN 0.301 nan 8.360 nan 0.000 0.454 267 I N 0.725 121.259 120.570 -0.061 0.000 2.163 267 I HA -0.336 3.836 4.170 0.003 0.000 0.243 267 I C 2.610 178.700 176.117 -0.045 0.000 1.085 267 I CA 1.280 62.542 61.300 -0.063 0.000 1.347 267 I CB -0.310 37.574 38.000 -0.193 0.000 1.044 267 I HN 0.170 nan 8.210 nan 0.000 0.408 268 M N 0.509 120.065 119.600 -0.072 0.000 2.260 268 M HA -0.147 4.335 4.480 0.003 0.000 0.261 268 M C 2.208 178.468 176.300 -0.067 0.000 1.066 268 M CA 1.857 57.112 55.300 -0.075 0.000 1.082 268 M CB -0.752 31.782 32.600 -0.110 0.000 1.388 268 M HN 0.449 nan 8.290 nan 0.000 0.419 269 G N 0.021 108.801 108.800 -0.035 0.000 2.453 269 G HA2 -0.099 3.863 3.960 0.003 0.000 0.215 269 G HA3 -0.099 3.863 3.960 0.003 0.000 0.215 269 G C 1.571 176.474 174.900 0.005 0.000 1.147 269 G CA 0.220 45.310 45.100 -0.017 0.000 0.802 269 G HN 0.356 nan 8.290 nan 0.000 0.535 270 K N -0.022 120.390 120.400 0.021 0.000 2.097 270 K HA 0.046 4.368 4.320 0.003 0.000 0.206 270 K C 2.241 178.853 176.600 0.020 0.000 1.049 270 K CA 0.976 57.282 56.287 0.032 0.000 0.933 270 K CB -0.149 32.384 32.500 0.054 0.000 0.717 270 K HN 0.367 nan 8.250 nan 0.000 0.442 271 I N 0.211 120.785 120.570 0.007 0.000 2.270 271 I HA -0.193 3.979 4.170 0.003 0.000 0.239 271 I C 2.127 178.252 176.117 0.014 0.000 1.080 271 I CA 0.931 62.236 61.300 0.009 0.000 1.383 271 I CB -0.210 37.790 38.000 -0.000 0.000 1.097 271 I HN 0.028 nan 8.210 nan 0.000 0.420 272 L N 0.589 121.816 121.223 0.006 0.000 2.072 272 L HA -0.098 4.244 4.340 0.003 0.000 0.205 272 L C 2.002 178.885 176.870 0.022 0.000 1.079 272 L CA 1.240 56.091 54.840 0.019 0.000 0.752 272 L CB -0.441 41.614 42.059 -0.007 0.000 0.906 272 L HN 0.317 nan 8.230 nan 0.000 0.436 273 N N -1.005 117.701 118.700 0.010 0.000 2.392 273 N HA -0.063 4.679 4.740 0.003 0.000 0.177 273 N C 0.545 176.062 175.510 0.013 0.000 1.066 273 N CA 0.749 53.806 53.050 0.012 0.000 0.895 273 N CB 0.294 38.784 38.487 0.006 0.000 0.988 273 N HN 0.187 nan 8.380 nan 0.000 0.457 274 D N -1.034 119.376 120.400 0.015 0.000 2.503 274 D HA 0.198 4.840 4.640 0.003 0.000 0.218 274 D C 0.434 176.744 176.300 0.018 0.000 1.183 274 D CA -0.032 53.978 54.000 0.016 0.000 0.827 274 D CB 0.413 41.225 40.800 0.020 0.000 1.034 274 D HN 0.129 nan 8.370 nan 0.000 0.510 275 G N 1.982 110.793 108.800 0.019 0.000 2.390 275 G HA2 -0.327 3.635 3.960 0.003 0.000 0.299 275 G HA3 -0.327 3.635 3.960 0.003 0.000 0.299 275 G C 0.174 175.086 174.900 0.019 0.000 1.002 275 G CA 0.442 45.554 45.100 0.020 0.000 0.979 275 G HN 0.319 nan 8.290 nan 0.000 0.513 276 E N -0.480 119.732 120.200 0.020 0.000 2.349 276 E HA 0.308 4.660 4.350 0.003 0.000 0.265 276 E C 0.269 176.881 176.600 0.019 0.000 1.064 276 E CA -0.625 55.788 56.400 0.022 0.000 0.886 276 E CB 0.631 30.348 29.700 0.029 0.000 1.036 276 E HN 0.349 nan 8.360 nan 0.000 0.413 277 D N 2.745 123.156 120.400 0.019 0.000 2.458 277 D HA -0.013 4.629 4.640 0.003 0.000 0.243 277 D C -1.818 174.489 176.300 0.011 0.000 1.146 277 D CA -1.210 52.798 54.000 0.014 0.000 0.877 277 D CB 1.039 41.847 40.800 0.015 0.000 1.176 277 D HN 0.083 nan 8.370 nan 0.000 0.461 278 P HA -0.177 nan 4.420 nan 0.000 0.214 278 P C 0.760 178.055 177.300 -0.009 0.000 1.163 278 P CA 1.292 64.385 63.100 -0.013 0.000 0.889 278 P CB 0.130 31.813 31.700 -0.029 0.000 0.790 279 E N -0.508 119.688 120.200 -0.007 0.000 2.110 279 E HA -0.191 4.161 4.350 0.003 0.000 0.193 279 E C 2.039 178.655 176.600 0.028 0.000 0.988 279 E CA 0.918 57.320 56.400 0.003 0.000 0.804 279 E CB -0.251 29.451 29.700 0.004 0.000 0.745 279 E HN 0.204 nan 8.360 nan 0.000 0.458 280 K N 0.537 120.955 120.400 0.029 0.000 2.001 280 K HA -0.068 4.254 4.320 0.003 0.000 0.208 280 K C 2.189 178.824 176.600 0.060 0.000 1.048 280 K CA 1.007 57.319 56.287 0.042 0.000 0.932 280 K CB -0.319 32.202 32.500 0.034 0.000 0.715 280 K HN 0.046 nan 8.250 nan 0.000 0.437 281 A N 1.238 124.091 122.820 0.054 0.000 1.940 281 A HA -0.163 4.159 4.320 0.003 0.000 0.219 281 A C 2.315 179.962 177.584 0.104 0.000 1.176 281 A CA 2.290 54.370 52.037 0.071 0.000 0.631 281 A CB -0.523 18.501 19.000 0.040 0.000 0.814 281 A HN 0.370 nan 8.150 nan 0.000 0.446 282 A N -0.607 122.258 122.820 0.075 0.000 1.930 282 A HA 0.335 4.657 4.320 0.003 0.000 0.215 282 A C 2.458 180.157 177.584 0.191 0.000 1.176 282 A CA 1.609 53.701 52.037 0.092 0.000 0.632 282 A CB -0.844 18.165 19.000 0.016 0.000 0.819 282 A HN 0.953 nan 8.150 nan 0.000 0.445 283 A N 0.236 123.143 122.820 0.144 0.000 1.858 283 A HA 0.163 4.486 4.320 0.003 0.000 0.216 283 A C 2.524 180.211 177.584 0.171 0.000 1.190 283 A CA 2.081 54.207 52.037 0.149 0.000 0.617 283 A CB -1.174 17.885 19.000 0.098 0.000 0.827 283 A HN 1.070 nan 8.150 nan 0.000 0.443 284 A N -1.596 121.316 122.820 0.153 0.000 1.917 284 A HA -0.255 4.067 4.320 0.003 0.000 0.219 284 A C 2.035 179.725 177.584 0.177 0.000 1.182 284 A CA 1.747 53.866 52.037 0.136 0.000 0.633 284 A CB -1.030 18.040 19.000 0.117 0.000 0.819 284 A HN 0.887 nan 8.150 nan 0.000 0.448 285 W N 0.102 121.433 121.300 0.052 0.000 2.402 285 W HA -0.049 4.613 4.660 0.004 0.000 0.286 285 W C 1.740 178.301 176.519 0.069 0.000 1.221 285 W CA 1.589 58.970 57.345 0.060 0.000 1.257 285 W CB -0.062 29.444 29.460 0.076 0.000 1.120 285 W HN 0.260 nan 8.180 nan 0.000 0.551 286 L N 0.423 121.887 121.223 0.401 0.000 2.068 286 L HA -0.124 4.218 4.340 0.003 0.000 0.204 286 L C 2.481 179.395 176.870 0.073 0.000 1.076 286 L CA 1.283 56.302 54.840 0.299 0.000 0.753 286 L CB -0.754 41.535 42.059 0.383 0.000 0.910 286 L HN -0.147 nan 8.230 nan 0.000 0.439 287 K N -0.116 120.330 120.400 0.076 0.000 2.074 287 K HA -0.258 4.064 4.320 0.003 0.000 0.209 287 K C 1.662 178.230 176.600 -0.054 0.000 1.048 287 K CA 1.882 58.179 56.287 0.017 0.000 0.926 287 K CB -0.306 32.215 32.500 0.034 0.000 0.713 287 K HN 0.184 nan 8.250 nan 0.000 0.444 288 D N 1.035 121.378 120.400 -0.096 0.000 2.144 288 D HA -0.095 4.547 4.640 0.003 0.000 0.200 288 D C -0.211 175.883 176.300 -0.345 0.000 0.978 288 D CA 1.000 54.879 54.000 -0.203 0.000 0.833 288 D CB 0.025 40.689 40.800 -0.226 0.000 0.961 288 D HN 0.153 nan 8.370 nan 0.000 0.470 289 N N -0.514 117.896 118.700 -0.483 0.000 2.844 289 N HA 0.235 4.978 4.740 0.003 0.000 0.268 289 N C -2.250 173.072 175.510 -0.314 0.000 1.574 289 N CA -0.987 51.729 53.050 -0.557 0.000 0.838 289 N CB 1.968 39.766 38.487 -1.147 0.000 1.177 289 N HN 0.012 nan 8.380 nan 0.000 0.495 290 P HA -0.207 nan 4.420 nan 0.000 0.218 290 P C 1.300 178.544 177.300 -0.095 0.000 1.148 290 P CA 1.096 64.140 63.100 -0.094 0.000 0.822 290 P CB 0.413 32.067 31.700 -0.075 0.000 0.784 291 Q N -0.065 119.654 119.800 -0.135 0.000 2.224 291 Q HA -0.129 4.213 4.340 0.003 0.000 0.203 291 Q C 2.060 177.933 176.000 -0.212 0.000 0.970 291 Q CA 1.689 57.406 55.803 -0.143 0.000 0.865 291 Q CB -0.346 28.308 28.738 -0.140 0.000 0.922 291 Q HN 0.298 nan 8.270 nan 0.000 0.445 292 S N 0.029 115.573 115.700 -0.260 0.000 2.420 292 S HA -0.168 4.304 4.470 0.003 0.000 0.237 292 S C 1.599 175.675 174.600 -0.873 0.000 1.023 292 S CA 1.116 59.024 58.200 -0.487 0.000 0.991 292 S CB -0.414 62.654 63.200 -0.220 0.000 0.792 292 S HN 0.410 nan 8.310 nan 0.000 0.488 293 I N 1.533 121.891 120.570 -0.354 0.000 3.428 293 I HA 0.060 4.232 4.170 0.003 0.000 0.286 293 I C 2.366 178.476 176.117 -0.011 0.000 1.287 293 I CA 0.498 61.784 61.300 -0.024 0.000 1.396 293 I CB -0.283 37.859 38.000 0.237 0.000 1.062 293 I HN 0.262 nan 8.210 nan 0.000 0.471 294 E N 1.603 121.731 120.200 -0.120 0.000 2.046 294 E HA -0.129 4.223 4.350 0.003 0.000 0.190 294 E C -0.478 176.089 176.600 -0.054 0.000 0.982 294 E CA 1.056 57.421 56.400 -0.057 0.000 0.800 294 E CB -0.948 28.709 29.700 -0.071 0.000 0.756 294 E HN 0.415 nan 8.360 nan 0.000 0.449 295 P HA -0.163 nan 4.420 nan 0.000 0.217 295 P C 0.848 178.168 177.300 0.034 0.000 1.151 295 P CA 1.068 64.115 63.100 -0.089 0.000 0.828 295 P CB -0.129 31.471 31.700 -0.166 0.000 0.788 296 W N 0.664 121.949 121.300 -0.024 0.000 2.321 296 W HA -0.083 4.578 4.660 0.002 0.000 0.306 296 W C 2.066 178.581 176.519 -0.006 0.000 1.217 296 W CA 0.858 58.182 57.345 -0.035 0.000 1.257 296 W CB -1.581 27.854 29.460 -0.041 0.000 1.145 296 W HN -0.050 nan 8.180 nan 0.000 0.509 297 L N 0.556 121.931 121.223 0.252 0.000 2.627 297 L HA 0.110 4.452 4.340 0.003 0.000 0.232 297 L C 1.213 178.145 176.870 0.105 0.000 1.150 297 L CA -0.028 54.910 54.840 0.163 0.000 0.917 297 L CB -0.778 41.370 42.059 0.148 0.000 1.104 297 L HN -0.278 nan 8.230 nan 0.000 0.445 298 S N 1.215 116.967 115.700 0.086 0.000 2.643 298 S HA 0.260 4.732 4.470 0.003 0.000 0.329 298 S C 1.313 175.946 174.600 0.056 0.000 1.193 298 S CA 0.803 59.036 58.200 0.056 0.000 1.293 298 S CB -0.473 62.751 63.200 0.039 0.000 1.205 298 S HN 0.722 nan 8.310 nan 0.000 0.550 299 G N 2.975 111.806 108.800 0.053 0.000 2.176 299 G HA2 -0.224 3.738 3.960 0.003 0.000 0.232 299 G HA3 -0.224 3.738 3.960 0.003 0.000 0.232 299 G C 0.073 175.008 174.900 0.060 0.000 0.986 299 G CA -0.090 45.039 45.100 0.049 0.000 0.643 299 G HN 0.890 nan 8.290 nan 0.000 0.522 300 V N 1.085 121.045 119.914 0.076 0.000 2.732 300 V HA 0.730 4.853 4.120 0.003 0.000 0.297 300 V C 0.926 177.076 176.094 0.092 0.000 1.060 300 V CA 0.201 62.557 62.300 0.093 0.000 1.038 300 V CB 1.358 33.250 31.823 0.115 0.000 1.003 300 V HN 1.126 nan 8.190 nan 0.000 0.481 301 A N 2.757 125.637 122.820 0.101 0.000 2.309 301 A HA 0.828 5.150 4.320 0.003 0.000 0.317 301 A C 0.459 178.096 177.584 0.087 0.000 1.134 301 A CA -0.067 52.016 52.037 0.077 0.000 0.866 301 A CB 0.995 20.025 19.000 0.050 0.000 1.329 301 A HN 0.980 nan 8.150 nan 0.000 0.477 302 T N -1.531 113.036 114.554 0.021 0.000 2.640 302 T HA 0.112 4.464 4.350 0.003 0.000 0.316 302 T C 1.086 175.664 174.700 -0.203 0.000 1.036 302 T CA 0.644 62.705 62.100 -0.064 0.000 1.009 302 T CB 0.150 68.968 68.868 -0.082 0.000 1.017 302 T HN 0.777 nan 8.240 nan 0.000 0.530 303 K N 0.234 120.298 120.400 -0.560 0.000 2.160 303 K HA -0.191 4.131 4.320 0.003 0.000 0.206 303 K C 0.775 177.225 176.600 -0.250 0.000 1.047 303 K CA 2.215 58.059 56.287 -0.738 0.000 0.930 303 K CB -0.370 31.626 32.500 -0.840 0.000 0.720 303 K HN 0.715 nan 8.250 nan 0.000 0.450 304 D N -1.614 118.687 120.400 -0.166 0.000 2.440 304 D HA 0.218 4.860 4.640 0.003 0.000 0.216 304 D C 0.141 176.414 176.300 -0.045 0.000 1.150 304 D CA 0.579 54.528 54.000 -0.085 0.000 0.832 304 D CB 1.304 42.056 40.800 -0.080 0.000 0.992 304 D HN 0.396 nan 8.370 nan 0.000 0.502 305 G N -0.004 108.777 108.800 -0.031 0.000 2.131 305 G HA2 -0.091 3.871 3.960 0.003 0.000 0.201 305 G HA3 -0.091 3.871 3.960 0.003 0.000 0.201 305 G C 0.557 175.454 174.900 -0.006 0.000 1.000 305 G CA -0.372 44.723 45.100 -0.009 0.000 0.680 305 G HN 0.554 nan 8.290 nan 0.000 0.514 306 G N -0.937 107.857 108.800 -0.011 0.000 2.521 306 G HA2 0.533 4.495 3.960 0.003 0.000 0.323 306 G HA3 0.533 4.495 3.960 0.003 0.000 0.323 306 G C -0.617 174.289 174.900 0.010 0.000 1.211 306 G CA 0.023 45.121 45.100 -0.003 0.000 0.979 306 G HN 0.223 nan 8.290 nan 0.000 0.490 307 D N -0.165 120.244 120.400 0.015 0.000 2.382 307 D HA 0.162 4.804 4.640 0.003 0.000 0.259 307 D C 1.654 177.975 176.300 0.036 0.000 1.224 307 D CA 0.484 54.499 54.000 0.025 0.000 0.894 307 D CB 1.064 41.877 40.800 0.021 0.000 1.127 307 D HN 0.306 nan 8.370 nan 0.000 0.487 308 G N 3.899 112.729 108.800 0.050 0.000 2.476 308 G HA2 -0.274 3.688 3.960 0.003 0.000 0.218 308 G HA3 -0.274 3.688 3.960 0.003 0.000 0.218 308 G C 1.325 176.270 174.900 0.075 0.000 1.164 308 G CA 0.789 45.933 45.100 0.073 0.000 0.768 308 G HN 0.522 nan 8.290 nan 0.000 0.560 309 L N 1.122 122.383 121.223 0.063 0.000 1.993 309 L HA 0.321 4.663 4.340 0.003 0.000 0.206 309 L C 3.171 180.072 176.870 0.052 0.000 1.074 309 L CA 2.180 57.058 54.840 0.062 0.000 0.746 309 L CB -1.036 41.052 42.059 0.047 0.000 0.896 309 L HN 0.245 nan 8.230 nan 0.000 0.435 310 A N -0.054 122.789 122.820 0.038 0.000 1.954 310 A HA -0.345 3.977 4.320 0.003 0.000 0.222 310 A C 2.424 180.029 177.584 0.034 0.000 1.199 310 A CA 2.857 54.912 52.037 0.030 0.000 0.657 310 A CB -1.525 17.489 19.000 0.023 0.000 0.823 310 A HN 0.698 nan 8.150 nan 0.000 0.463 311 A N -0.921 121.922 122.820 0.039 0.000 1.834 311 A HA -0.057 4.265 4.320 0.003 0.000 0.216 311 A C 2.246 179.863 177.584 0.054 0.000 1.203 311 A CA 2.145 54.207 52.037 0.041 0.000 0.621 311 A CB -1.248 17.777 19.000 0.041 0.000 0.841 311 A HN 0.601 nan 8.150 nan 0.000 0.446 312 V N 0.422 120.380 119.914 0.074 0.000 2.392 312 V HA -0.301 3.821 4.120 0.003 0.000 0.249 312 V C 2.448 178.589 176.094 0.079 0.000 1.059 312 V CA 2.446 64.801 62.300 0.091 0.000 1.051 312 V CB -0.842 31.056 31.823 0.126 0.000 0.658 312 V HN 0.575 nan 8.190 nan 0.000 0.455 313 K N 0.541 120.979 120.400 0.064 0.000 2.103 313 K HA -0.160 4.162 4.320 0.003 0.000 0.207 313 K C 2.282 178.907 176.600 0.041 0.000 1.048 313 K CA 1.572 57.888 56.287 0.048 0.000 0.930 313 K CB -0.445 32.075 32.500 0.034 0.000 0.716 313 K HN 0.494 nan 8.250 nan 0.000 0.444 314 A N 1.578 124.421 122.820 0.039 0.000 1.930 314 A HA -0.057 4.265 4.320 0.003 0.000 0.217 314 A C 2.414 180.019 177.584 0.035 0.000 1.175 314 A CA 1.589 53.645 52.037 0.031 0.000 0.627 314 A CB -0.692 18.324 19.000 0.027 0.000 0.815 314 A HN 0.313 nan 8.150 nan 0.000 0.443 315 A N -0.199 122.647 122.820 0.045 0.000 1.892 315 A HA -0.084 4.238 4.320 0.003 0.000 0.218 315 A C 1.965 179.579 177.584 0.049 0.000 1.188 315 A CA 1.863 53.929 52.037 0.049 0.000 0.631 315 A CB -0.524 18.514 19.000 0.063 0.000 0.822 315 A HN 0.555 nan 8.150 nan 0.000 0.447 316 L N -2.195 119.061 121.223 0.054 0.000 2.638 316 L HA 0.416 4.758 4.340 0.003 0.000 0.232 316 L C 1.120 178.014 176.870 0.039 0.000 1.099 316 L CA 0.365 55.237 54.840 0.053 0.000 0.883 316 L CB -0.188 41.914 42.059 0.072 0.000 1.136 316 L HN 0.498 nan 8.230 nan 0.000 0.492 317 G N 2.166 110.986 108.800 0.033 0.000 2.636 317 G HA2 -0.164 3.798 3.960 0.003 0.000 0.261 317 G HA3 -0.164 3.798 3.960 0.003 0.000 0.261 317 G C -0.484 174.426 174.900 0.016 0.000 1.018 317 G CA 0.315 45.429 45.100 0.023 0.000 1.308 317 G HN 0.321 nan 8.290 nan 0.000 0.514 318 L N 0.000 121.231 121.223 0.014 0.000 2.949 318 L HA 0.000 4.342 4.340 0.003 0.000 0.249 318 L CA 0.000 54.842 54.840 0.003 0.000 0.813 318 L CB 0.000 42.060 42.059 0.001 0.000 0.961 318 L HN 0.000 nan 8.230 nan 0.000 0.502