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 2cb4_1_M DATA FIRST_RESID 33 DATA SEQUENCE NSPKDNTWIQ AASLTWLXDX SSLLYQLIST RIPSFASPNG LHXREQTIDS DATA SEQUENCE NTGQIQIDNE HRLLRWDRRP PNDIFLNGFI PRVTNQNLSP VEDTHLLNYL DATA SEQUENCE RTNSPSIFVS TTRARYNNLG LEITPWTPHS ANNNIIYRYE IFAPGGIDIN DATA SEQUENCE ASFSRNHNPF PNEDQITFPG GIRPEFIRST YEYHNGEIVR IWINPNFINP DATA SEQUENCE STLNDVSGPS NISKVFWHEN HSEGNNXDSX XXXXXXXYNQ DFDXFAPNGE DATA SEQUENCE IPNNNLLNNN SLNVIQ 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 33 N HA 0.000 nan 4.740 nan 0.000 0.220 33 N C 0.000 175.264 175.510 -0.409 0.000 1.280 33 N CA 0.000 52.987 53.050 -0.104 0.000 0.885 33 N CB 0.000 38.440 38.487 -0.079 0.000 1.341 34 S N 0.694 116.086 115.700 -0.513 0.000 2.593 34 S HA 0.041 4.511 4.470 -0.000 0.000 0.303 34 S C -2.411 171.768 174.600 -0.703 0.000 1.267 34 S CA -0.369 57.324 58.200 -0.845 0.000 1.047 34 S CB -0.047 62.925 63.200 -0.380 0.000 0.777 34 S HN 0.182 nan 8.310 nan 0.000 0.498 35 P HA 0.328 nan 4.420 nan 0.000 0.278 35 P C 0.340 177.477 177.300 -0.272 0.000 1.238 35 P CA -0.679 62.103 63.100 -0.530 0.000 0.794 35 P CB 0.622 31.910 31.700 -0.687 0.000 0.955 36 K N 1.034 121.325 120.400 -0.182 0.000 2.057 36 K HA -0.035 4.285 4.320 -0.000 0.000 0.206 36 K C 0.561 177.136 176.600 -0.042 0.000 1.050 36 K CA 1.609 57.835 56.287 -0.101 0.000 0.935 36 K CB -0.510 31.940 32.500 -0.082 0.000 0.715 36 K HN 0.688 nan 8.250 nan 0.000 0.439 37 D N -1.036 119.359 120.400 -0.009 0.000 2.585 37 D HA 0.041 4.681 4.640 -0.000 0.000 0.254 37 D C 0.126 176.525 176.300 0.165 0.000 1.067 37 D CA -0.821 53.211 54.000 0.053 0.000 1.090 37 D CB -0.056 40.766 40.800 0.036 0.000 1.408 37 D HN -0.137 nan 8.370 nan 0.000 0.554 38 N N -1.223 117.575 118.700 0.164 0.000 2.313 38 N HA -0.012 4.728 4.740 -0.000 0.000 0.207 38 N C 0.466 176.050 175.510 0.123 0.000 1.141 38 N CA -0.064 53.105 53.050 0.199 0.000 0.830 38 N CB -0.394 38.127 38.487 0.057 0.000 1.008 38 N HN 0.366 nan 8.380 nan 0.000 0.481 39 T N 0.465 115.119 114.554 0.168 0.000 2.737 39 T HA -0.153 4.197 4.350 -0.000 0.000 0.269 39 T C 1.383 176.148 174.700 0.109 0.000 1.040 39 T CA 1.680 63.839 62.100 0.098 0.000 1.142 39 T CB -0.378 68.536 68.868 0.077 0.000 0.861 39 T HN 0.659 nan 8.240 nan 0.000 0.456 40 W N 2.998 124.264 121.300 -0.057 0.000 2.364 40 W HA 0.002 4.662 4.660 0.000 0.000 0.281 40 W C 1.323 177.816 176.519 -0.044 0.000 1.219 40 W CA 0.724 58.028 57.345 -0.069 0.000 1.220 40 W CB -1.074 28.345 29.460 -0.069 0.000 1.127 40 W HN 0.433 nan 8.180 nan 0.000 0.556 41 I N -1.483 118.729 120.570 -0.596 0.000 3.936 41 I HA 0.273 4.443 4.170 -0.000 0.000 0.330 41 I C 1.733 177.687 176.117 -0.271 0.000 1.509 41 I CA -0.316 60.651 61.300 -0.556 0.000 1.126 41 I CB -0.282 37.175 38.000 -0.904 0.000 1.115 41 I HN -0.104 nan 8.210 nan 0.000 0.424 42 Q N 1.732 121.438 119.800 -0.157 0.000 2.364 42 Q HA 0.028 4.368 4.340 -0.000 0.000 0.207 42 Q C 2.221 178.185 176.000 -0.060 0.000 0.970 42 Q CA 1.401 57.150 55.803 -0.090 0.000 0.888 42 Q CB 0.184 28.889 28.738 -0.055 0.000 0.951 42 Q HN 0.782 nan 8.270 nan 0.000 0.469 43 A N 0.526 123.291 122.820 -0.092 0.000 2.208 43 A HA 0.308 4.628 4.320 -0.000 0.000 0.209 43 A C 0.962 178.586 177.584 0.067 0.000 1.161 43 A CA 0.321 52.302 52.037 -0.093 0.000 0.782 43 A CB -0.163 18.685 19.000 -0.253 0.000 0.816 43 A HN 0.311 nan 8.150 nan 0.000 0.477 44 A N 0.065 122.872 122.820 -0.021 0.000 2.598 44 A HA 0.211 4.531 4.320 -0.000 0.000 0.239 44 A C 1.446 178.988 177.584 -0.070 0.000 1.032 44 A CA 0.842 52.826 52.037 -0.089 0.000 0.760 44 A CB 0.009 18.875 19.000 -0.223 0.000 0.946 44 A HN 0.449 nan 8.150 nan 0.000 0.512 45 S N 1.703 117.350 115.700 -0.088 0.000 2.388 45 S HA 0.076 4.546 4.470 -0.000 0.000 0.223 45 S C 0.864 175.373 174.600 -0.152 0.000 1.034 45 S CA 0.393 58.547 58.200 -0.077 0.000 0.963 45 S CB -0.335 62.835 63.200 -0.050 0.000 0.827 45 S HN 0.608 nan 8.310 nan 0.000 0.481 46 L N 3.502 124.547 121.223 -0.296 0.000 2.384 46 L HA 0.159 4.499 4.340 -0.000 0.000 0.258 46 L C 1.709 178.128 176.870 -0.751 0.000 1.266 46 L CA -0.099 54.383 54.840 -0.596 0.000 1.162 46 L CB -0.054 41.479 42.059 -0.876 0.000 1.375 46 L HN 0.431 nan 8.230 nan 0.000 0.420 47 T N -2.615 111.713 114.554 -0.377 0.000 2.849 47 T HA -0.206 4.144 4.350 -0.000 0.000 0.270 47 T C 1.560 176.161 174.700 -0.165 0.000 1.066 47 T CA 0.818 62.791 62.100 -0.210 0.000 1.130 47 T CB -0.254 68.585 68.868 -0.048 0.000 0.864 47 T HN 0.748 nan 8.240 nan 0.000 0.481 48 W N 1.270 122.552 121.300 -0.031 0.000 2.468 48 W HA 0.291 4.951 4.660 -0.000 0.000 0.262 48 W C 0.734 177.230 176.519 -0.039 0.000 1.241 48 W CA -0.627 56.700 57.345 -0.029 0.000 1.232 48 W CB -1.069 28.375 29.460 -0.026 0.000 1.124 48 W HN 0.239 nan 8.180 nan 0.000 0.597 54 S N 1.921 117.768 115.700 0.245 0.000 2.368 54 S HA 0.010 4.480 4.470 -0.000 0.000 0.224 54 S C 1.717 176.449 174.600 0.220 0.000 1.029 54 S CA 1.604 59.924 58.200 0.200 0.000 0.988 54 S CB -0.486 62.777 63.200 0.106 0.000 0.838 54 S HN 0.516 nan 8.310 nan 0.000 0.462 55 L N 1.704 123.033 121.223 0.177 0.000 2.046 55 L HA -0.006 4.334 4.340 -0.000 0.000 0.208 55 L C 2.019 178.998 176.870 0.182 0.000 1.077 55 L CA 1.540 56.470 54.840 0.150 0.000 0.747 55 L CB -0.847 41.282 42.059 0.118 0.000 0.896 55 L HN 0.296 nan 8.230 nan 0.000 0.432 56 L N -1.313 120.052 121.223 0.238 0.000 2.046 56 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 56 L C 2.429 179.514 176.870 0.357 0.000 1.077 56 L CA 1.955 56.955 54.840 0.266 0.000 0.747 56 L CB -1.032 41.166 42.059 0.232 0.000 0.896 56 L HN 0.468 nan 8.230 nan 0.000 0.432 57 Y N -0.309 120.194 120.300 0.340 0.000 2.224 57 Y HA -0.269 4.281 4.550 -0.000 0.000 0.289 57 Y C 2.505 178.435 175.900 0.050 0.000 1.146 57 Y CA 1.943 60.125 58.100 0.137 0.000 1.182 57 Y CB -0.041 38.355 38.460 -0.106 0.000 0.983 57 Y HN 0.335 nan 8.280 nan 0.000 0.524 58 Q N -0.435 119.446 119.800 0.136 0.000 2.016 58 Q HA -0.173 4.166 4.340 -0.000 0.000 0.200 58 Q C 2.321 178.301 176.000 -0.033 0.000 0.978 58 Q CA 1.265 57.088 55.803 0.034 0.000 0.833 58 Q CB -0.851 27.938 28.738 0.086 0.000 0.895 58 Q HN 0.447 nan 8.270 nan 0.000 0.427 59 L N 0.942 122.181 121.223 0.027 0.000 2.043 59 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 59 L C 2.199 179.063 176.870 -0.010 0.000 1.075 59 L CA 1.605 56.459 54.840 0.023 0.000 0.752 59 L CB -0.740 41.359 42.059 0.068 0.000 0.891 59 L HN 0.178 nan 8.230 nan 0.000 0.432 60 I N -2.170 118.393 120.570 -0.012 0.000 2.277 60 I HA -0.229 3.941 4.170 -0.000 0.000 0.243 60 I C 2.363 178.384 176.117 -0.160 0.000 1.094 60 I CA 0.996 62.284 61.300 -0.019 0.000 1.393 60 I CB -0.356 37.688 38.000 0.074 0.000 1.078 60 I HN 0.099 nan 8.210 nan 0.000 0.417 61 S N 0.336 115.836 115.700 -0.333 0.000 2.400 61 S HA -0.194 4.276 4.470 -0.000 0.000 0.232 61 S C 2.082 176.560 174.600 -0.203 0.000 1.025 61 S CA 2.052 60.031 58.200 -0.368 0.000 0.993 61 S CB -0.485 62.371 63.200 -0.572 0.000 0.808 61 S HN 0.653 nan 8.310 nan 0.000 0.478 62 T N -0.400 114.064 114.554 -0.151 0.000 3.072 62 T HA 0.069 4.419 4.350 -0.000 0.000 0.266 62 T C 1.343 175.972 174.700 -0.119 0.000 1.127 62 T CA 0.543 62.579 62.100 -0.107 0.000 1.107 62 T CB -0.096 68.731 68.868 -0.067 0.000 0.910 62 T HN 0.089 nan 8.240 nan 0.000 0.513 63 R N 0.689 121.092 120.500 -0.162 0.000 2.466 63 R HA 0.443 4.783 4.340 -0.000 0.000 0.279 63 R C -0.169 176.019 176.300 -0.187 0.000 0.976 63 R CA -0.101 55.863 56.100 -0.227 0.000 1.081 63 R CB -0.057 29.972 30.300 -0.451 0.000 1.215 63 R HN 0.520 nan 8.270 nan 0.000 0.546 64 I N 2.499 122.983 120.570 -0.145 0.000 2.420 64 I HA 0.275 4.445 4.170 -0.000 0.000 0.282 64 I C -2.266 173.725 176.117 -0.209 0.000 1.019 64 I CA -2.243 58.984 61.300 -0.122 0.000 1.130 64 I CB 1.863 39.832 38.000 -0.051 0.000 1.262 64 I HN -0.327 nan 8.210 nan 0.000 0.454 65 P HA 0.107 nan 4.420 nan 0.000 0.266 65 P C 0.738 177.686 177.300 -0.586 0.000 1.195 65 P CA 0.106 62.865 63.100 -0.568 0.000 0.768 65 P CB 0.736 31.692 31.700 -1.240 0.000 0.838 66 S N 1.735 117.241 115.700 -0.324 0.000 2.420 66 S HA -0.189 4.281 4.470 -0.000 0.000 0.237 66 S C 1.399 175.897 174.600 -0.169 0.000 1.023 66 S CA 1.542 59.639 58.200 -0.171 0.000 0.991 66 S CB -0.966 62.213 63.200 -0.034 0.000 0.792 66 S HN 0.670 nan 8.310 nan 0.000 0.488 67 F N 1.151 121.024 119.950 -0.129 0.000 2.407 67 F HA 0.379 4.906 4.527 -0.000 0.000 0.299 67 F C 2.137 177.710 175.800 -0.378 0.000 1.097 67 F CA 0.183 58.047 58.000 -0.226 0.000 1.422 67 F CB -0.827 38.021 39.000 -0.254 0.000 1.067 67 F HN 0.133 nan 8.300 nan 0.000 0.539 68 A N -0.513 121.914 122.820 -0.655 0.000 1.898 68 A HA 0.090 4.410 4.320 -0.000 0.000 0.214 68 A C 1.529 179.135 177.584 0.036 0.000 1.183 68 A CA 1.114 52.987 52.037 -0.273 0.000 0.622 68 A CB -0.677 18.197 19.000 -0.209 0.000 0.824 68 A HN 0.294 nan 8.150 nan 0.000 0.444 69 S N -0.374 115.272 115.700 -0.089 0.000 2.130 69 S HA 0.459 4.929 4.470 -0.000 0.000 0.165 69 S C -2.099 172.432 174.600 -0.116 0.000 1.677 69 S CA -1.356 56.767 58.200 -0.129 0.000 1.227 69 S CB 0.565 63.618 63.200 -0.245 0.000 1.115 69 S HN 0.107 nan 8.310 nan 0.000 0.452 70 P HA -0.080 nan 4.420 nan 0.000 0.215 70 P C 0.313 177.585 177.300 -0.047 0.000 1.157 70 P CA 1.482 64.557 63.100 -0.042 0.000 0.874 70 P CB 0.018 31.710 31.700 -0.013 0.000 0.790 71 N N -1.461 117.206 118.700 -0.055 0.000 2.270 71 N HA 0.317 5.057 4.740 -0.000 0.000 0.198 71 N C 0.646 176.122 175.510 -0.056 0.000 1.117 71 N CA 0.500 53.523 53.050 -0.046 0.000 0.845 71 N CB 0.261 38.729 38.487 -0.032 0.000 0.980 71 N HN 0.142 nan 8.380 nan 0.000 0.486 72 G N 0.538 109.285 108.800 -0.088 0.000 2.796 72 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.571 72 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.571 72 G C -0.583 174.232 174.900 -0.142 0.000 1.370 72 G CA -0.941 44.108 45.100 -0.085 0.000 0.856 72 G HN 0.122 nan 8.290 nan 0.000 0.538 73 L N 1.476 122.624 121.223 -0.124 0.000 2.453 73 L HA 0.301 4.641 4.340 -0.000 0.000 0.272 73 L C 1.315 178.124 176.870 -0.101 0.000 1.182 73 L CA -0.475 54.262 54.840 -0.172 0.000 0.858 73 L CB 0.693 42.674 42.059 -0.129 0.000 1.120 73 L HN 0.766 nan 8.230 nan 0.000 0.474 77 E N 1.969 122.234 120.200 0.108 0.000 2.232 77 E HA 0.260 4.610 4.350 -0.000 0.000 0.264 77 E C -0.658 176.035 176.600 0.155 0.000 0.973 77 E CA -0.919 55.530 56.400 0.082 0.000 0.849 77 E CB 1.289 31.030 29.700 0.069 0.000 1.198 77 E HN 0.465 nan 8.360 nan 0.000 0.407 78 Q N -0.361 119.475 119.800 0.060 0.000 2.453 78 Q HA -0.215 4.125 4.340 -0.000 0.000 0.294 78 Q C 0.657 176.493 176.000 -0.274 0.000 1.295 78 Q CA 0.876 56.672 55.803 -0.011 0.000 0.853 78 Q CB -2.128 26.667 28.738 0.096 0.000 1.193 78 Q HN 0.796 nan 8.270 nan 0.000 0.461 79 T N -3.396 111.059 114.554 -0.166 0.000 3.100 79 T HA 0.327 4.677 4.350 -0.000 0.000 0.253 79 T C 0.487 175.096 174.700 -0.152 0.000 1.118 79 T CA 0.141 62.118 62.100 -0.205 0.000 1.058 79 T CB 0.318 69.190 68.868 0.006 0.000 0.953 79 T HN 0.206 nan 8.240 nan 0.000 0.515 80 I N 1.963 122.464 120.570 -0.115 0.000 2.530 80 I HA 0.448 4.618 4.170 -0.000 0.000 0.297 80 I C -0.695 175.383 176.117 -0.065 0.000 1.011 80 I CA -1.330 59.929 61.300 -0.067 0.000 1.107 80 I CB 1.911 39.891 38.000 -0.034 0.000 1.285 80 I HN 0.029 nan 8.210 nan 0.000 0.436 81 D N 2.688 123.060 120.400 -0.047 0.000 2.313 81 D HA 0.157 4.797 4.640 -0.000 0.000 0.239 81 D C 1.158 177.444 176.300 -0.022 0.000 1.142 81 D CA -0.033 53.946 54.000 -0.036 0.000 0.847 81 D CB 1.118 41.900 40.800 -0.031 0.000 1.082 81 D HN 0.514 nan 8.370 nan 0.000 0.480 82 S N 3.513 119.203 115.700 -0.018 0.000 2.440 82 S HA -0.186 4.284 4.470 -0.000 0.000 0.238 82 S C 1.152 175.747 174.600 -0.009 0.000 1.010 82 S CA 0.625 58.818 58.200 -0.012 0.000 0.972 82 S CB -0.200 62.995 63.200 -0.008 0.000 0.774 82 S HN 0.560 nan 8.310 nan 0.000 0.501 83 N N 1.206 119.900 118.700 -0.009 0.000 2.422 83 N HA 0.028 4.768 4.740 -0.000 0.000 0.181 83 N C 1.444 176.948 175.510 -0.009 0.000 1.080 83 N CA 1.484 54.529 53.050 -0.008 0.000 0.893 83 N CB 0.120 38.604 38.487 -0.006 0.000 0.973 83 N HN 0.858 nan 8.380 nan 0.000 0.456 84 T N -4.893 109.654 114.554 -0.011 0.000 2.980 84 T HA 0.334 4.684 4.350 -0.000 0.000 0.252 84 T C 1.398 176.092 174.700 -0.011 0.000 0.962 84 T CA 0.687 62.780 62.100 -0.012 0.000 0.932 84 T CB 0.795 69.654 68.868 -0.015 0.000 1.188 84 T HN 0.153 nan 8.240 nan 0.000 0.500 85 G N 1.410 110.204 108.800 -0.011 0.000 2.176 85 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.253 85 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.253 85 G C -0.049 174.848 174.900 -0.005 0.000 0.979 85 G CA 0.324 45.420 45.100 -0.007 0.000 0.641 85 G HN 0.720 nan 8.290 nan 0.000 0.530 86 Q N -0.303 119.491 119.800 -0.011 0.000 2.171 86 Q HA 0.666 5.006 4.340 -0.000 0.000 0.217 86 Q C 0.959 176.954 176.000 -0.009 0.000 0.995 86 Q CA -1.048 54.750 55.803 -0.007 0.000 0.979 86 Q CB 0.964 29.688 28.738 -0.023 0.000 1.152 86 Q HN 0.256 nan 8.270 nan 0.000 0.525 87 I N 1.405 121.979 120.570 0.007 0.000 2.754 87 I HA -0.042 4.128 4.170 -0.000 0.000 0.285 87 I C 0.241 176.355 176.117 -0.006 0.000 1.166 87 I CA 0.099 61.410 61.300 0.018 0.000 1.417 87 I CB 0.267 38.326 38.000 0.097 0.000 1.382 87 I HN 0.601 nan 8.210 nan 0.000 0.588 88 Q N 5.490 125.272 119.800 -0.030 0.000 2.337 88 Q HA 0.389 4.729 4.340 -0.000 0.000 0.255 88 Q C -0.899 175.118 176.000 0.028 0.000 0.997 88 Q CA 0.231 55.996 55.803 -0.063 0.000 0.925 88 Q CB 0.401 28.990 28.738 -0.248 0.000 1.212 88 Q HN 0.475 nan 8.270 nan 0.000 0.436 89 I N 5.160 125.696 120.570 -0.057 0.000 2.412 89 I HA 0.333 4.503 4.170 -0.000 0.000 0.279 89 I C -0.920 175.131 176.117 -0.109 0.000 1.063 89 I CA -0.608 60.518 61.300 -0.290 0.000 1.193 89 I CB 0.391 38.084 38.000 -0.512 0.000 1.370 89 I HN 0.637 nan 8.210 nan 0.000 0.479 90 D N 2.475 122.981 120.400 0.177 0.000 2.583 90 D HA 0.236 4.876 4.640 -0.000 0.000 0.248 90 D C 0.309 176.779 176.300 0.284 0.000 1.209 90 D CA -0.793 53.317 54.000 0.182 0.000 0.848 90 D CB 0.549 41.439 40.800 0.150 0.000 1.431 90 D HN -0.063 nan 8.370 nan 0.000 0.436 91 N N 0.152 118.899 118.700 0.078 0.000 2.132 91 N HA -0.168 4.572 4.740 -0.000 0.000 0.191 91 N C 0.976 176.501 175.510 0.024 0.000 1.015 91 N CA 1.325 54.329 53.050 -0.078 0.000 0.864 91 N CB -0.184 37.895 38.487 -0.681 0.000 1.006 91 N HN 0.536 nan 8.380 nan 0.000 0.430 92 E N -0.686 119.511 120.200 -0.004 0.000 2.204 92 E HA -0.090 4.260 4.350 -0.000 0.000 0.194 92 E C 0.792 177.247 176.600 -0.243 0.000 0.989 92 E CA 1.007 57.344 56.400 -0.104 0.000 0.824 92 E CB -0.122 29.489 29.700 -0.148 0.000 0.756 92 E HN 0.617 nan 8.360 nan 0.000 0.477 93 H N -1.384 117.799 119.070 0.187 0.000 2.672 93 H HA 0.255 4.811 4.556 -0.000 0.000 0.277 93 H C 0.041 175.467 175.328 0.163 0.000 1.074 93 H CA -0.342 55.831 56.048 0.209 0.000 1.173 93 H CB 0.424 30.337 29.762 0.253 0.000 1.558 93 H HN -0.160 nan 8.280 nan 0.000 0.539 94 R N 1.864 122.466 120.500 0.170 0.000 2.351 94 R HA 0.227 4.567 4.340 -0.000 0.000 0.318 94 R C -0.991 175.210 176.300 -0.165 0.000 1.055 94 R CA -0.076 55.890 56.100 -0.223 0.000 0.968 94 R CB 0.059 30.386 30.300 0.045 0.000 0.974 94 R HN 0.192 nan 8.270 nan 0.000 0.439 95 L N 5.559 126.604 121.223 -0.297 0.000 2.330 95 L HA 0.577 4.917 4.340 -0.000 0.000 0.271 95 L C -0.495 176.273 176.870 -0.171 0.000 1.013 95 L CA -1.080 53.682 54.840 -0.130 0.000 0.816 95 L CB 1.653 43.695 42.059 -0.029 0.000 1.287 95 L HN 0.500 nan 8.230 nan 0.000 0.435 96 L N 1.712 122.869 121.223 -0.111 0.000 2.371 96 L HA 0.682 5.022 4.340 -0.000 0.000 0.262 96 L C -0.660 176.131 176.870 -0.132 0.000 1.006 96 L CA -0.685 54.061 54.840 -0.156 0.000 0.818 96 L CB 2.458 44.401 42.059 -0.193 0.000 1.354 96 L HN 0.546 nan 8.230 nan 0.000 0.415 97 R N 1.127 121.532 120.500 -0.158 0.000 2.515 97 R HA 0.354 4.694 4.340 -0.000 0.000 0.291 97 R C -2.080 174.219 176.300 -0.001 0.000 1.046 97 R CA -0.473 55.558 56.100 -0.115 0.000 0.914 97 R CB 1.298 31.378 30.300 -0.367 0.000 1.191 97 R HN 0.515 nan 8.270 nan 0.000 0.435 98 W N 3.818 125.226 121.300 0.180 0.000 2.322 98 W HA 0.343 5.003 4.660 -0.000 0.000 0.307 98 W C 0.111 176.798 176.519 0.280 0.000 1.220 98 W CA 0.145 57.641 57.345 0.252 0.000 1.210 98 W CB 1.037 30.636 29.460 0.231 0.000 1.223 98 W HN 0.320 nan 8.180 nan 0.000 0.511 99 D N 1.722 122.498 120.400 0.626 0.000 2.837 99 D HA 0.214 4.854 4.640 -0.000 0.000 0.220 99 D C 0.676 177.347 176.300 0.618 0.000 1.236 99 D CA -0.532 53.807 54.000 0.565 0.000 0.838 99 D CB 1.844 42.984 40.800 0.568 0.000 1.647 99 D HN 0.289 nan 8.370 nan 0.000 0.486 100 R N 1.349 122.166 120.500 0.527 0.000 2.275 100 R HA 0.116 4.456 4.340 -0.000 0.000 0.199 100 R C 0.429 176.988 176.300 0.431 0.000 0.989 100 R CA 0.153 56.544 56.100 0.485 0.000 1.016 100 R CB 0.240 30.778 30.300 0.396 0.000 0.918 100 R HN 0.192 nan 8.270 nan 0.000 0.473 101 R N 1.990 122.694 120.500 0.341 0.000 2.438 101 R HA 0.169 4.509 4.340 -0.000 0.000 0.287 101 R C -2.124 174.058 176.300 -0.196 0.000 1.077 101 R CA -1.472 54.686 56.100 0.096 0.000 1.034 101 R CB 0.352 30.700 30.300 0.080 0.000 0.993 101 R HN -0.002 nan 8.270 nan 0.000 0.459 102 P HA 0.180 nan 4.420 nan 0.000 0.278 102 P C -2.244 174.570 177.300 -0.810 0.000 1.266 102 P CA -1.840 60.709 63.100 -0.919 0.000 0.807 102 P CB 0.704 32.123 31.700 -0.468 0.000 1.094 103 P HA -0.181 nan 4.420 nan 0.000 0.216 103 P C 1.099 177.874 177.300 -0.875 0.000 1.150 103 P CA 1.585 63.848 63.100 -1.393 0.000 0.843 103 P CB -0.328 30.201 31.700 -1.953 0.000 0.787 104 N N -0.725 117.776 118.700 -0.333 0.000 2.364 104 N HA -0.141 4.599 4.740 -0.000 0.000 0.183 104 N C 1.448 176.953 175.510 -0.009 0.000 1.022 104 N CA 1.127 54.249 53.050 0.119 0.000 0.883 104 N CB -0.703 37.854 38.487 0.116 0.000 0.965 104 N HN 0.238 nan 8.380 nan 0.000 0.438 105 D N 0.111 120.388 120.400 -0.205 0.000 2.394 105 D HA 0.037 4.677 4.640 -0.000 0.000 0.237 105 D C 1.909 178.017 176.300 -0.320 0.000 1.028 105 D CA 0.208 54.093 54.000 -0.190 0.000 0.937 105 D CB 0.018 40.713 40.800 -0.176 0.000 1.072 105 D HN -0.138 nan 8.370 nan 0.000 0.457 106 I N 0.956 121.215 120.570 -0.517 0.000 2.163 106 I HA -0.218 3.952 4.170 -0.000 0.000 0.243 106 I C 2.195 177.962 176.117 -0.584 0.000 1.085 106 I CA 0.921 61.781 61.300 -0.734 0.000 1.347 106 I CB -1.331 35.953 38.000 -1.193 0.000 1.044 106 I HN 0.066 nan 8.210 nan 0.000 0.408 107 F N 0.237 119.675 119.950 -0.855 0.000 2.604 107 F HA -0.069 4.458 4.527 -0.000 0.000 0.298 107 F C 2.205 177.532 175.800 -0.789 0.000 1.131 107 F CA 0.436 57.811 58.000 -1.041 0.000 1.457 107 F CB -0.967 36.859 39.000 -1.956 0.000 1.095 107 F HN 0.071 nan 8.300 nan 0.000 0.574 108 L N -0.154 120.891 121.223 -0.297 0.000 2.221 108 L HA 0.125 4.465 4.340 -0.000 0.000 0.202 108 L C 1.706 178.542 176.870 -0.056 0.000 1.074 108 L CA 1.580 56.430 54.840 0.017 0.000 0.795 108 L CB -0.440 41.724 42.059 0.175 0.000 0.960 108 L HN -0.139 nan 8.230 nan 0.000 0.458 109 N N -0.209 118.407 118.700 -0.141 0.000 2.294 109 N HA 0.243 4.983 4.740 -0.000 0.000 0.186 109 N C 0.941 176.335 175.510 -0.194 0.000 1.107 109 N CA 0.849 53.819 53.050 -0.132 0.000 0.884 109 N CB 0.701 39.121 38.487 -0.111 0.000 1.030 109 N HN 0.427 nan 8.380 nan 0.000 0.482 110 G N 1.303 109.902 108.800 -0.334 0.000 2.593 110 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.237 110 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.237 110 G C -1.045 173.516 174.900 -0.564 0.000 1.312 110 G CA -0.596 44.239 45.100 -0.442 0.000 0.896 110 G HN 0.134 nan 8.290 nan 0.000 0.574 111 F N 0.740 120.605 119.950 -0.141 0.000 2.313 111 F HA 0.604 5.131 4.527 -0.000 0.000 0.369 111 F C 1.022 176.771 175.800 -0.085 0.000 1.109 111 F CA -0.629 57.294 58.000 -0.128 0.000 1.132 111 F CB 0.904 39.821 39.000 -0.139 0.000 1.291 111 F HN 0.368 nan 8.300 nan 0.000 0.496 112 I N 5.500 126.119 120.570 0.082 0.000 2.396 112 I HA 0.311 4.481 4.170 -0.000 0.000 0.292 112 I C -2.044 174.104 176.117 0.051 0.000 0.999 112 I CA -2.027 59.295 61.300 0.037 0.000 1.310 112 I CB 1.202 39.212 38.000 0.015 0.000 1.404 112 I HN 0.288 nan 8.210 nan 0.000 0.496 113 P HA 0.222 nan 4.420 nan 0.000 0.272 113 P C 0.158 177.462 177.300 0.007 0.000 1.240 113 P CA -0.399 62.697 63.100 -0.008 0.000 0.791 113 P CB 0.600 32.249 31.700 -0.084 0.000 0.978 114 R N -0.104 120.399 120.500 0.006 0.000 2.120 114 R HA 0.006 4.346 4.340 -0.000 0.000 0.234 114 R C 0.132 176.440 176.300 0.013 0.000 1.123 114 R CA 0.864 56.974 56.100 0.016 0.000 0.975 114 R CB -0.371 29.941 30.300 0.020 0.000 0.866 114 R HN 0.274 nan 8.270 nan 0.000 0.446 115 V N 1.014 120.924 119.914 -0.007 0.000 2.370 115 V HA 0.107 4.226 4.120 -0.000 0.000 0.283 115 V C 0.818 176.933 176.094 0.034 0.000 1.023 115 V CA -0.158 62.147 62.300 0.008 0.000 0.857 115 V CB 1.601 33.417 31.823 -0.012 0.000 0.985 115 V HN 0.338 nan 8.190 nan 0.000 0.443 116 T N -0.322 114.280 114.554 0.080 0.000 3.003 116 T HA 0.119 4.469 4.350 -0.000 0.000 0.261 116 T C 0.516 175.370 174.700 0.256 0.000 1.003 116 T CA -0.327 61.868 62.100 0.158 0.000 0.917 116 T CB -0.073 68.865 68.868 0.117 0.000 1.084 116 T HN 0.629 nan 8.240 nan 0.000 0.522 117 N N 1.512 120.297 118.700 0.141 0.000 2.509 117 N HA 0.159 4.899 4.740 -0.000 0.000 0.287 117 N C -0.598 174.886 175.510 -0.042 0.000 1.121 117 N CA -0.592 52.472 53.050 0.023 0.000 0.977 117 N CB 1.490 39.962 38.487 -0.025 0.000 1.167 117 N HN 0.336 nan 8.380 nan 0.000 0.476 118 Q N 0.694 120.254 119.800 -0.400 0.000 2.313 118 Q HA 0.063 4.403 4.340 -0.000 0.000 0.266 118 Q C -1.054 174.839 176.000 -0.179 0.000 0.989 118 Q CA 0.078 55.574 55.803 -0.513 0.000 0.890 118 Q CB 0.347 28.535 28.738 -0.917 0.000 1.200 118 Q HN 0.646 nan 8.270 nan 0.000 0.396 119 N N 4.848 123.519 118.700 -0.048 0.000 2.747 119 N HA 0.102 4.842 4.740 -0.000 0.000 0.262 119 N C -0.970 174.555 175.510 0.025 0.000 1.261 119 N CA -0.175 52.866 53.050 -0.015 0.000 0.809 119 N CB 0.698 39.186 38.487 0.002 0.000 1.450 119 N HN 0.725 nan 8.380 nan 0.000 0.560 120 L N 0.975 122.207 121.223 0.015 0.000 2.682 120 L HA 0.206 4.546 4.340 -0.000 0.000 0.240 120 L C 0.447 177.335 176.870 0.030 0.000 1.178 120 L CA 0.205 55.066 54.840 0.036 0.000 0.970 120 L CB -0.352 41.727 42.059 0.032 0.000 1.179 120 L HN 0.255 nan 8.230 nan 0.000 0.435 121 S N 0.606 116.321 115.700 0.025 0.000 2.654 121 S HA 0.312 4.782 4.470 -0.000 0.000 0.283 121 S C -1.718 172.901 174.600 0.032 0.000 1.180 121 S CA -0.928 57.286 58.200 0.024 0.000 1.021 121 S CB 1.218 64.430 63.200 0.019 0.000 1.018 121 S HN 0.030 nan 8.310 nan 0.000 0.532 122 P HA 0.056 nan 4.420 nan 0.000 0.269 122 P C 0.488 177.820 177.300 0.054 0.000 1.461 122 P CA -0.037 63.080 63.100 0.028 0.000 0.809 122 P CB -0.941 30.767 31.700 0.013 0.000 1.503 123 V N -2.191 117.758 119.914 0.059 0.000 3.923 123 V HA 0.023 4.143 4.120 -0.000 0.000 0.292 123 V C 1.746 177.911 176.094 0.119 0.000 1.070 123 V CA 0.232 62.577 62.300 0.075 0.000 1.103 123 V CB -0.080 31.775 31.823 0.054 0.000 1.175 123 V HN -0.105 nan 8.190 nan 0.000 0.471 124 E N 0.143 120.418 120.200 0.125 0.000 2.338 124 E HA -0.136 4.214 4.350 -0.000 0.000 0.197 124 E C 1.691 178.389 176.600 0.164 0.000 1.007 124 E CA 1.176 57.678 56.400 0.170 0.000 0.849 124 E CB -0.454 29.312 29.700 0.110 0.000 0.774 124 E HN 0.840 nan 8.360 nan 0.000 0.506 125 D N 0.161 120.615 120.400 0.089 0.000 2.149 125 D HA -0.155 4.485 4.640 -0.000 0.000 0.194 125 D C 1.789 178.065 176.300 -0.040 0.000 1.001 125 D CA 2.181 56.190 54.000 0.015 0.000 0.849 125 D CB -0.359 40.440 40.800 -0.001 0.000 0.939 125 D HN 0.335 nan 8.370 nan 0.000 0.449 126 T N -3.704 110.891 114.554 0.068 0.000 3.092 126 T HA 0.047 4.397 4.350 -0.000 0.000 0.258 126 T C 0.535 175.490 174.700 0.426 0.000 1.031 126 T CA -0.455 61.726 62.100 0.134 0.000 0.925 126 T CB -0.596 68.327 68.868 0.091 0.000 1.036 126 T HN 0.218 nan 8.240 nan 0.000 0.544 127 H N 1.643 120.885 119.070 0.288 0.000 3.330 127 H HA 0.288 4.844 4.556 0.000 0.000 0.260 127 H C 1.373 176.881 175.328 0.299 0.000 1.439 127 H CA -0.822 55.373 56.048 0.244 0.000 1.540 127 H CB 0.080 29.934 29.762 0.154 0.000 1.698 127 H HN 0.077 nan 8.280 nan 0.000 0.516 128 L N 4.093 125.563 121.223 0.411 0.000 2.013 128 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 128 L C 1.635 178.594 176.870 0.147 0.000 1.073 128 L CA 1.693 56.563 54.840 0.049 0.000 0.753 128 L CB -0.427 41.543 42.059 -0.147 0.000 0.890 128 L HN 0.681 nan 8.230 nan 0.000 0.432 129 L N -0.766 120.594 121.223 0.227 0.000 2.093 129 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 129 L C 2.276 179.132 176.870 -0.023 0.000 1.085 129 L CA 1.030 55.883 54.840 0.021 0.000 0.755 129 L CB -0.610 41.459 42.059 0.018 0.000 0.904 129 L HN 0.367 nan 8.230 nan 0.000 0.435 130 N N -0.643 117.998 118.700 -0.098 0.000 2.142 130 N HA -0.238 4.502 4.740 -0.000 0.000 0.186 130 N C 1.693 177.191 175.510 -0.021 0.000 1.023 130 N CA 1.184 54.103 53.050 -0.219 0.000 0.852 130 N CB -0.441 37.733 38.487 -0.522 0.000 0.998 130 N HN 0.328 nan 8.380 nan 0.000 0.424 131 Y N 1.495 121.788 120.300 -0.012 0.000 2.165 131 Y HA -0.116 4.434 4.550 -0.000 0.000 0.286 131 Y C 1.939 177.867 175.900 0.047 0.000 1.155 131 Y CA 1.469 59.593 58.100 0.039 0.000 1.164 131 Y CB -0.481 38.073 38.460 0.157 0.000 0.978 131 Y HN 0.004 nan 8.280 nan 0.000 0.513 132 L N -0.207 120.867 121.223 -0.249 0.000 2.156 132 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 132 L C 2.745 179.696 176.870 0.135 0.000 1.095 132 L CA 1.502 56.212 54.840 -0.217 0.000 0.770 132 L CB -0.434 41.544 42.059 -0.134 0.000 0.914 132 L HN 0.130 nan 8.230 nan 0.000 0.439 133 R N -0.343 120.224 120.500 0.111 0.000 2.140 133 R HA -0.078 4.262 4.340 -0.000 0.000 0.213 133 R C 2.078 178.657 176.300 0.465 0.000 1.059 133 R CA 1.599 57.876 56.100 0.294 0.000 1.000 133 R CB 0.183 30.494 30.300 0.019 0.000 0.910 133 R HN 0.398 nan 8.270 nan 0.000 0.455 134 T N -3.769 110.858 114.554 0.123 0.000 2.959 134 T HA 0.109 4.459 4.350 -0.000 0.000 0.254 134 T C 0.423 174.751 174.700 -0.620 0.000 1.003 134 T CA 0.272 62.317 62.100 -0.091 0.000 0.950 134 T CB 0.255 69.081 68.868 -0.069 0.000 1.090 134 T HN 0.273 nan 8.240 nan 0.000 0.503 135 N N 1.542 119.859 118.700 -0.639 0.000 2.818 135 N HA -0.161 4.579 4.740 -0.000 0.000 0.250 135 N C -0.145 175.228 175.510 -0.229 0.000 1.108 135 N CA 0.764 53.417 53.050 -0.661 0.000 0.745 135 N CB -1.828 35.896 38.487 -1.270 0.000 1.104 135 N HN 0.874 nan 8.380 nan 0.000 0.557 136 S N -0.883 114.769 115.700 -0.079 0.000 2.573 136 S HA 0.468 4.938 4.470 -0.000 0.000 0.277 136 S C -2.318 172.354 174.600 0.120 0.000 1.346 136 S CA -0.980 57.228 58.200 0.013 0.000 1.034 136 S CB 0.882 64.097 63.200 0.025 0.000 0.879 136 S HN 0.150 nan 8.310 nan 0.000 0.528 137 P HA 0.242 nan 4.420 nan 0.000 0.268 137 P C -0.240 177.103 177.300 0.071 0.000 1.204 137 P CA 0.012 63.154 63.100 0.071 0.000 0.768 137 P CB 0.717 32.438 31.700 0.036 0.000 0.842 138 S N 1.657 117.367 115.700 0.017 0.000 2.727 138 S HA 0.405 4.875 4.470 -0.000 0.000 0.278 138 S C 0.662 175.116 174.600 -0.243 0.000 1.186 138 S CA -0.759 57.384 58.200 -0.095 0.000 0.836 138 S CB 0.261 63.442 63.200 -0.031 0.000 1.186 138 S HN 0.341 nan 8.310 nan 0.000 0.499 139 I N -1.355 118.916 120.570 -0.498 0.000 3.684 139 I HA 0.442 4.612 4.170 -0.000 0.000 0.304 139 I C -0.761 175.001 176.117 -0.592 0.000 1.278 139 I CA -0.227 60.768 61.300 -0.508 0.000 1.272 139 I CB -0.498 37.176 38.000 -0.542 0.000 1.029 139 I HN 0.277 nan 8.210 nan 0.000 0.458 140 F N 1.336 121.088 119.950 -0.330 0.000 2.385 140 F HA 0.566 5.093 4.527 -0.000 0.000 0.336 140 F C 0.210 175.848 175.800 -0.269 0.000 1.100 140 F CA -0.925 56.844 58.000 -0.385 0.000 1.116 140 F CB 1.203 39.742 39.000 -0.769 0.000 1.166 140 F HN -0.332 nan 8.300 nan 0.000 0.511 141 V N 2.337 122.333 119.914 0.136 0.000 2.444 141 V HA 0.342 4.462 4.120 -0.000 0.000 0.294 141 V C -0.200 176.030 176.094 0.227 0.000 1.022 141 V CA -0.714 61.669 62.300 0.138 0.000 0.850 141 V CB 1.613 33.483 31.823 0.080 0.000 0.992 141 V HN 0.830 nan 8.190 nan 0.000 0.426 142 S N 3.223 119.045 115.700 0.204 0.000 2.601 142 S HA 0.732 5.202 4.470 -0.000 0.000 0.271 142 S C 0.242 174.865 174.600 0.040 0.000 1.305 142 S CA -0.372 57.928 58.200 0.166 0.000 1.022 142 S CB 1.433 64.714 63.200 0.136 0.000 0.940 142 S HN 1.019 nan 8.310 nan 0.000 0.525 143 T N -1.035 113.564 114.554 0.075 0.000 2.864 143 T HA 0.690 5.040 4.350 -0.000 0.000 0.299 143 T C -0.658 174.046 174.700 0.008 0.000 1.166 143 T CA -0.742 61.373 62.100 0.026 0.000 1.007 143 T CB 1.813 70.733 68.868 0.087 0.000 1.219 143 T HN 0.460 nan 8.240 nan 0.000 0.506 144 T N 0.315 114.869 114.554 0.001 0.000 2.907 144 T HA 0.568 4.918 4.350 -0.000 0.000 0.292 144 T C -0.568 174.152 174.700 0.034 0.000 1.043 144 T CA -0.853 61.246 62.100 -0.001 0.000 1.003 144 T CB 1.108 69.987 68.868 0.019 0.000 1.084 144 T HN 0.730 nan 8.240 nan 0.000 0.483 145 R N 1.907 122.432 120.500 0.042 0.000 2.490 145 R HA 0.577 4.917 4.340 -0.000 0.000 0.280 145 R C 0.405 176.736 176.300 0.052 0.000 1.077 145 R CA -0.547 55.583 56.100 0.050 0.000 1.065 145 R CB 0.532 30.866 30.300 0.056 0.000 1.003 145 R HN 0.715 nan 8.270 nan 0.000 0.470 146 A N 3.380 126.226 122.820 0.044 0.000 2.445 146 A HA 0.160 4.480 4.320 -0.000 0.000 0.242 146 A C -0.002 177.552 177.584 -0.050 0.000 1.075 146 A CA -0.032 51.997 52.037 -0.014 0.000 0.777 146 A CB 0.350 19.380 19.000 0.050 0.000 1.013 146 A HN 0.684 nan 8.150 nan 0.000 0.493 147 R N 0.348 120.699 120.500 -0.249 0.000 2.514 147 R HA 0.579 4.919 4.340 -0.000 0.000 0.301 147 R C -1.717 174.273 176.300 -0.517 0.000 0.962 147 R CA -0.241 55.743 56.100 -0.193 0.000 0.882 147 R CB 1.495 31.758 30.300 -0.061 0.000 1.143 147 R HN 0.750 nan 8.270 nan 0.000 0.452 148 Y N 0.738 121.069 120.300 0.052 0.000 2.545 148 Y HA 0.238 4.788 4.550 -0.000 0.000 0.348 148 Y C 0.405 176.330 175.900 0.042 0.000 1.002 148 Y CA -1.122 57.008 58.100 0.049 0.000 1.039 148 Y CB 1.439 39.927 38.460 0.048 0.000 1.271 148 Y HN 0.674 nan 8.280 nan 0.000 0.467 149 N N 0.626 119.435 118.700 0.182 0.000 2.443 149 N HA -0.003 4.737 4.740 -0.000 0.000 0.294 149 N C 0.611 176.192 175.510 0.117 0.000 1.289 149 N CA -0.226 52.894 53.050 0.116 0.000 0.966 149 N CB -0.020 38.515 38.487 0.080 0.000 1.122 149 N HN 0.727 nan 8.380 nan 0.000 0.569 150 N N -0.575 118.172 118.700 0.079 0.000 2.520 150 N HA -0.108 4.632 4.740 -0.000 0.000 0.185 150 N C 0.775 176.319 175.510 0.056 0.000 1.068 150 N CA 0.734 53.821 53.050 0.062 0.000 0.911 150 N CB -0.216 38.298 38.487 0.046 0.000 0.961 150 N HN 0.580 nan 8.380 nan 0.000 0.446 151 L N -0.689 120.574 121.223 0.066 0.000 2.640 151 L HA 0.309 4.649 4.340 -0.000 0.000 0.230 151 L C 1.167 178.079 176.870 0.070 0.000 1.123 151 L CA 0.252 55.127 54.840 0.059 0.000 0.900 151 L CB -0.071 42.023 42.059 0.058 0.000 1.146 151 L HN 0.269 nan 8.230 nan 0.000 0.484 152 G N 0.993 109.850 108.800 0.096 0.000 2.143 152 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.248 152 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.248 152 G C 0.114 175.145 174.900 0.219 0.000 0.991 152 G CA -0.069 45.089 45.100 0.096 0.000 0.689 152 G HN 0.233 nan 8.290 nan 0.000 0.522 153 L N 0.179 121.546 121.223 0.241 0.000 2.334 153 L HA 0.460 4.800 4.340 -0.000 0.000 0.277 153 L C 0.935 177.970 176.870 0.275 0.000 1.075 153 L CA -0.747 54.239 54.840 0.245 0.000 0.804 153 L CB 1.331 43.469 42.059 0.133 0.000 1.174 153 L HN 0.269 nan 8.230 nan 0.000 0.438 154 E N 3.392 123.705 120.200 0.187 0.000 2.376 154 E HA 0.255 4.605 4.350 -0.000 0.000 0.266 154 E C -0.755 175.793 176.600 -0.088 0.000 1.009 154 E CA -0.211 56.091 56.400 -0.163 0.000 0.902 154 E CB 0.791 30.395 29.700 -0.159 0.000 0.972 154 E HN 0.443 nan 8.360 nan 0.000 0.439 155 I N -0.076 120.405 120.570 -0.148 0.000 3.067 155 I HA 0.432 4.602 4.170 -0.000 0.000 0.312 155 I C -0.135 175.957 176.117 -0.042 0.000 1.073 155 I CA -1.152 60.117 61.300 -0.052 0.000 1.016 155 I CB 1.767 39.755 38.000 -0.019 0.000 1.227 155 I HN 0.197 nan 8.210 nan 0.000 0.456 156 T N 4.189 118.745 114.554 0.003 0.000 2.866 156 T HA 0.137 4.487 4.350 -0.000 0.000 0.293 156 T C -2.127 172.603 174.700 0.050 0.000 1.005 156 T CA -0.186 61.934 62.100 0.033 0.000 1.162 156 T CB -0.437 68.441 68.868 0.016 0.000 0.968 156 T HN 0.510 nan 8.240 nan 0.000 0.530 157 P HA 0.183 nan 4.420 nan 0.000 0.284 157 P C -0.487 176.952 177.300 0.231 0.000 1.292 157 P CA -1.109 62.099 63.100 0.179 0.000 0.800 157 P CB 0.700 32.544 31.700 0.239 0.000 1.188 158 W N 1.038 122.393 121.300 0.090 0.000 2.347 158 W HA 0.171 4.831 4.660 0.000 0.000 0.333 158 W C -0.854 175.704 176.519 0.064 0.000 1.383 158 W CA 1.202 58.564 57.345 0.029 0.000 1.283 158 W CB 0.002 29.473 29.460 0.019 0.000 1.253 158 W HN 0.164 nan 8.180 nan 0.000 0.563 159 T N 8.535 122.659 114.554 -0.718 0.000 2.876 159 T HA 0.348 4.698 4.350 -0.000 0.000 0.289 159 T C -2.538 171.243 174.700 -1.531 0.000 1.014 159 T CA -1.397 60.096 62.100 -1.013 0.000 0.986 159 T CB 1.738 70.204 68.868 -0.670 0.000 1.021 159 T HN 0.130 nan 8.240 nan 0.000 0.458 160 P HA 0.229 nan 4.420 nan 0.000 0.271 160 P C 0.381 177.249 177.300 -0.721 0.000 1.218 160 P CA -0.121 62.362 63.100 -1.028 0.000 0.780 160 P CB 0.467 31.805 31.700 -0.604 0.000 0.901 161 H N 0.175 118.956 119.070 -0.482 0.000 2.421 161 H HA -0.109 4.447 4.556 -0.000 0.000 0.298 161 H C 1.642 176.823 175.328 -0.244 0.000 1.087 161 H CA 1.638 57.486 56.048 -0.333 0.000 1.330 161 H CB 0.056 29.678 29.762 -0.233 0.000 1.388 161 H HN 0.426 nan 8.280 nan 0.000 0.526 162 S N 0.097 115.749 115.700 -0.079 0.000 2.631 162 S HA 0.220 4.690 4.470 -0.000 0.000 0.217 162 S C 2.075 176.604 174.600 -0.119 0.000 0.958 162 S CA 0.137 58.309 58.200 -0.048 0.000 0.920 162 S CB 0.283 63.512 63.200 0.048 0.000 0.776 162 S HN 0.431 nan 8.310 nan 0.000 0.517 163 A N 2.812 125.472 122.820 -0.267 0.000 1.986 163 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 163 A C 1.972 179.427 177.584 -0.215 0.000 1.171 163 A CA 1.727 53.556 52.037 -0.347 0.000 0.640 163 A CB -0.981 17.590 19.000 -0.717 0.000 0.811 163 A HN 0.747 nan 8.150 nan 0.000 0.451 164 N N -0.511 118.092 118.700 -0.162 0.000 2.461 164 N HA -0.006 4.734 4.740 -0.000 0.000 0.188 164 N C -0.649 174.837 175.510 -0.040 0.000 1.134 164 N CA -0.131 52.863 53.050 -0.093 0.000 0.878 164 N CB 0.003 38.438 38.487 -0.087 0.000 0.972 164 N HN 0.587 nan 8.380 nan 0.000 0.456 165 N N 0.833 119.512 118.700 -0.036 0.000 2.419 165 N HA 0.236 4.976 4.740 -0.000 0.000 0.277 165 N C -0.505 175.009 175.510 0.007 0.000 1.006 165 N CA -0.529 52.516 53.050 -0.010 0.000 0.923 165 N CB 1.043 39.527 38.487 -0.006 0.000 1.140 165 N HN 0.090 nan 8.380 nan 0.000 0.488 166 N N 0.299 119.001 118.700 0.004 0.000 1.220 166 N HA -0.261 4.479 4.740 -0.000 0.000 0.114 166 N C -1.017 174.489 175.510 -0.006 0.000 0.835 166 N CA 0.897 53.940 53.050 -0.012 0.000 0.863 166 N CB -0.472 38.009 38.487 -0.009 0.000 0.992 166 N HN 0.395 nan 8.380 nan 0.000 0.632 167 I N 0.968 121.521 120.570 -0.028 0.000 2.339 167 I HA 0.571 4.741 4.170 -0.000 0.000 0.290 167 I C -0.429 175.707 176.117 0.030 0.000 0.994 167 I CA -0.354 60.926 61.300 -0.033 0.000 1.191 167 I CB 1.014 38.943 38.000 -0.118 0.000 1.343 167 I HN 0.322 nan 8.210 nan 0.000 0.458 168 I N 5.704 126.290 120.570 0.026 0.000 2.894 168 I HA 0.455 4.625 4.170 -0.000 0.000 0.302 168 I C -1.535 174.607 176.117 0.043 0.000 1.188 168 I CA -0.556 60.839 61.300 0.159 0.000 1.014 168 I CB 2.529 40.695 38.000 0.276 0.000 1.242 168 I HN 0.359 nan 8.210 nan 0.000 0.430 169 Y N 4.672 125.193 120.300 0.368 0.000 2.468 169 Y HA 0.564 5.114 4.550 -0.000 0.000 0.342 169 Y C -0.154 175.803 175.900 0.095 0.000 1.021 169 Y CA -0.676 57.511 58.100 0.145 0.000 1.079 169 Y CB 1.614 39.977 38.460 -0.162 0.000 1.226 169 Y HN 0.334 nan 8.280 nan 0.000 0.460 170 R N 3.061 123.538 120.500 -0.040 0.000 2.310 170 R HA 0.351 4.691 4.340 -0.000 0.000 0.316 170 R C -1.780 174.291 176.300 -0.382 0.000 1.004 170 R CA -0.583 55.254 56.100 -0.437 0.000 0.900 170 R CB 0.339 30.201 30.300 -0.729 0.000 1.152 170 R HN 0.715 nan 8.270 nan 0.000 0.513 171 Y N 1.487 121.719 120.300 -0.114 0.000 2.309 171 Y HA 0.108 4.658 4.550 -0.000 0.000 0.327 171 Y C 0.633 176.450 175.900 -0.139 0.000 1.172 171 Y CA 0.034 58.121 58.100 -0.021 0.000 1.280 171 Y CB 0.977 39.581 38.460 0.239 0.000 1.234 171 Y HN 0.434 nan 8.280 nan 0.000 0.512 172 E N 4.147 124.344 120.200 -0.004 0.000 2.133 172 E HA 0.515 4.865 4.350 -0.000 0.000 0.274 172 E C -1.495 175.041 176.600 -0.107 0.000 0.930 172 E CA -0.372 55.938 56.400 -0.149 0.000 0.770 172 E CB 0.646 30.223 29.700 -0.206 0.000 1.104 172 E HN 0.615 nan 8.360 nan 0.000 0.403 173 I N 3.928 124.363 120.570 -0.225 0.000 2.689 173 I HA 0.405 4.575 4.170 -0.000 0.000 0.299 173 I C -1.111 174.785 176.117 -0.368 0.000 1.059 173 I CA -0.866 60.360 61.300 -0.122 0.000 1.055 173 I CB 1.600 39.569 38.000 -0.051 0.000 1.243 173 I HN 0.478 nan 8.210 nan 0.000 0.425 174 F N 4.216 124.321 119.950 0.257 0.000 2.716 174 F HA 0.722 5.249 4.527 -0.000 0.000 0.354 174 F C 0.057 176.009 175.800 0.253 0.000 1.168 174 F CA -0.394 57.779 58.000 0.288 0.000 1.045 174 F CB 1.729 40.977 39.000 0.413 0.000 1.311 174 F HN 0.440 nan 8.300 nan 0.000 0.477 175 A N 4.020 126.951 122.820 0.184 0.000 2.469 175 A HA 0.973 5.293 4.320 -0.000 0.000 0.299 175 A C -2.977 174.543 177.584 -0.108 0.000 1.098 175 A CA -1.917 49.991 52.037 -0.215 0.000 0.737 175 A CB 2.094 20.880 19.000 -0.356 0.000 1.312 175 A HN 0.274 nan 8.150 nan 0.000 0.414 176 P HA 0.485 nan 4.420 nan 0.000 0.278 176 P C 0.679 177.996 177.300 0.029 0.000 1.238 176 P CA 1.381 64.411 63.100 -0.117 0.000 0.794 176 P CB 1.192 32.778 31.700 -0.190 0.000 0.955 177 G N 1.219 110.052 108.800 0.056 0.000 2.553 177 G HA2 0.301 4.261 3.960 -0.000 0.000 0.242 177 G HA3 0.301 4.261 3.960 -0.000 0.000 0.242 177 G C -0.039 174.800 174.900 -0.102 0.000 1.277 177 G CA 0.383 45.508 45.100 0.042 0.000 0.910 177 G HN 1.247 nan 8.290 nan 0.000 0.576 178 G N -1.948 106.648 108.800 -0.341 0.000 2.712 178 G HA2 0.345 4.305 3.960 -0.000 0.000 0.686 178 G HA3 0.345 4.305 3.960 -0.000 0.000 0.686 178 G C -0.434 174.301 174.900 -0.276 0.000 1.181 178 G CA -0.016 44.576 45.100 -0.848 0.000 0.762 178 G HN 1.591 nan 8.290 nan 0.000 0.641 179 I N 1.462 121.911 120.570 -0.202 0.000 2.342 179 I HA 0.209 4.379 4.170 -0.000 0.000 0.291 179 I C 0.134 176.223 176.117 -0.046 0.000 1.010 179 I CA -0.506 60.771 61.300 -0.038 0.000 1.308 179 I CB 1.500 39.516 38.000 0.027 0.000 1.400 179 I HN 0.494 nan 8.210 nan 0.000 0.488 180 D N 7.615 128.025 120.400 0.017 0.000 2.402 180 D HA 0.088 4.728 4.640 -0.000 0.000 0.235 180 D C 1.150 177.471 176.300 0.035 0.000 1.226 180 D CA -0.221 53.810 54.000 0.051 0.000 0.918 180 D CB 0.787 41.679 40.800 0.152 0.000 1.043 180 D HN 0.313 nan 8.370 nan 0.000 0.506 181 I N 3.495 124.096 120.570 0.050 0.000 2.127 181 I HA -0.287 3.883 4.170 -0.000 0.000 0.241 181 I C 1.765 177.975 176.117 0.154 0.000 1.075 181 I CA 0.908 62.288 61.300 0.134 0.000 1.334 181 I CB -0.956 37.131 38.000 0.144 0.000 1.040 181 I HN 0.389 nan 8.210 nan 0.000 0.405 182 N N 1.126 119.874 118.700 0.080 0.000 2.289 182 N HA -0.091 4.649 4.740 -0.000 0.000 0.184 182 N C 1.678 177.193 175.510 0.009 0.000 1.016 182 N CA 1.409 54.495 53.050 0.061 0.000 0.872 182 N CB -0.222 38.280 38.487 0.025 0.000 0.973 182 N HN 0.401 nan 8.380 nan 0.000 0.433 183 A N -0.753 122.034 122.820 -0.055 0.000 2.218 183 A HA 0.178 4.498 4.320 -0.000 0.000 0.209 183 A C 1.927 179.418 177.584 -0.155 0.000 1.168 183 A CA 0.409 52.347 52.037 -0.165 0.000 0.804 183 A CB 0.071 18.846 19.000 -0.377 0.000 0.834 183 A HN 0.156 nan 8.150 nan 0.000 0.482 184 S N -0.990 114.600 115.700 -0.183 0.000 2.503 184 S HA 0.371 4.841 4.470 -0.000 0.000 0.215 184 S C -0.260 173.906 174.600 -0.723 0.000 1.003 184 S CA 0.068 57.991 58.200 -0.461 0.000 0.910 184 S CB -0.048 62.740 63.200 -0.685 0.000 0.790 184 S HN 0.418 nan 8.310 nan 0.000 0.514 185 F N 1.441 121.379 119.950 -0.021 0.000 2.563 185 F HA 0.461 4.988 4.527 -0.000 0.000 0.316 185 F C 0.310 176.118 175.800 0.013 0.000 1.076 185 F CA -1.269 56.725 58.000 -0.010 0.000 0.921 185 F CB 1.177 40.172 39.000 -0.010 0.000 1.209 185 F HN -0.261 nan 8.300 nan 0.000 0.462 186 S N 1.971 117.825 115.700 0.256 0.000 2.549 186 S HA 0.160 4.630 4.470 -0.000 0.000 0.283 186 S C 1.361 176.075 174.600 0.189 0.000 1.320 186 S CA -0.689 57.636 58.200 0.207 0.000 1.058 186 S CB 0.807 64.178 63.200 0.286 0.000 0.882 186 S HN 0.637 nan 8.310 nan 0.000 0.498 187 R N 2.005 122.566 120.500 0.102 0.000 2.153 187 R HA -0.176 4.164 4.340 -0.000 0.000 0.252 187 R C 0.680 176.968 176.300 -0.021 0.000 1.158 187 R CA 1.486 57.610 56.100 0.039 0.000 0.975 187 R CB -0.301 30.009 30.300 0.017 0.000 0.871 187 R HN 0.529 nan 8.270 nan 0.000 0.450 188 N N -0.299 118.369 118.700 -0.054 0.000 2.314 188 N HA -0.006 4.734 4.740 -0.000 0.000 0.200 188 N C -0.131 175.034 175.510 -0.575 0.000 1.135 188 N CA 0.641 53.531 53.050 -0.265 0.000 0.835 188 N CB 0.445 38.763 38.487 -0.281 0.000 0.989 188 N HN 0.407 nan 8.380 nan 0.000 0.478 189 H N -2.414 116.656 119.070 0.000 0.000 3.367 189 H HA 0.236 4.792 4.556 0.000 0.000 0.257 189 H C -0.387 174.849 175.328 -0.153 0.000 1.201 189 H CA -0.434 55.599 56.048 -0.025 0.000 1.102 189 H CB 0.369 30.176 29.762 0.075 0.000 1.656 189 H HN -0.057 nan 8.280 nan 0.000 0.662 190 N N 2.114 120.769 118.700 -0.075 0.000 2.420 190 N HA 0.099 4.839 4.740 -0.000 0.000 0.249 190 N C -1.803 173.528 175.510 -0.299 0.000 1.033 190 N CA -2.217 50.726 53.050 -0.178 0.000 0.944 190 N CB 1.544 40.022 38.487 -0.015 0.000 1.113 190 N HN -0.036 nan 8.380 nan 0.000 0.502 191 P HA -0.049 nan 4.420 nan 0.000 0.214 191 P C -0.660 176.027 177.300 -1.022 0.000 1.163 191 P CA 1.492 64.173 63.100 -0.698 0.000 0.889 191 P CB 0.108 31.448 31.700 -0.599 0.000 0.790 192 F N -2.425 117.431 119.950 -0.157 0.000 2.902 192 F HA 0.317 4.844 4.527 0.000 0.000 0.368 192 F C -1.803 173.926 175.800 -0.118 0.000 1.202 192 F CA -1.954 55.959 58.000 -0.146 0.000 1.109 192 F CB 1.210 40.086 39.000 -0.208 0.000 1.418 192 F HN -0.116 nan 8.300 nan 0.000 0.527 193 P HA -0.086 nan 4.420 nan 0.000 0.218 193 P C 0.956 178.276 177.300 0.033 0.000 1.152 193 P CA 1.165 64.279 63.100 0.023 0.000 0.826 193 P CB 0.380 32.087 31.700 0.013 0.000 0.790 194 N N 0.759 119.499 118.700 0.067 0.000 2.192 194 N HA -0.198 4.542 4.740 -0.000 0.000 0.188 194 N C 1.726 177.294 175.510 0.097 0.000 1.013 194 N CA 1.088 54.200 53.050 0.103 0.000 0.863 194 N CB -0.791 37.785 38.487 0.149 0.000 0.990 194 N HN 0.419 nan 8.380 nan 0.000 0.430 195 E N 0.770 120.917 120.200 -0.089 0.000 2.338 195 E HA -0.148 4.202 4.350 -0.000 0.000 0.197 195 E C -0.511 175.942 176.600 -0.246 0.000 1.007 195 E CA 0.218 56.332 56.400 -0.476 0.000 0.849 195 E CB 0.080 29.302 29.700 -0.795 0.000 0.774 195 E HN 0.062 nan 8.360 nan 0.000 0.506 196 D N 1.513 121.859 120.400 -0.089 0.000 2.689 196 D HA -0.180 4.460 4.640 -0.000 0.000 0.237 196 D C -0.950 175.321 176.300 -0.048 0.000 1.148 196 D CA 0.793 54.774 54.000 -0.033 0.000 0.656 196 D CB -0.982 39.825 40.800 0.011 0.000 1.050 196 D HN 0.466 nan 8.370 nan 0.000 0.426 197 Q N -0.134 119.624 119.800 -0.071 0.000 2.327 197 Q HA 0.338 4.678 4.340 -0.000 0.000 0.254 197 Q C 0.572 176.574 176.000 0.003 0.000 0.952 197 Q CA -0.117 55.656 55.803 -0.050 0.000 0.884 197 Q CB 1.416 30.120 28.738 -0.057 0.000 1.224 197 Q HN 0.229 nan 8.270 nan 0.000 0.422 198 I N 2.587 123.177 120.570 0.033 0.000 2.382 198 I HA 0.219 4.389 4.170 -0.000 0.000 0.286 198 I C -0.048 176.072 176.117 0.006 0.000 1.002 198 I CA -0.333 60.967 61.300 -0.001 0.000 1.135 198 I CB 1.426 39.458 38.000 0.052 0.000 1.288 198 I HN 0.489 nan 8.210 nan 0.000 0.448 199 T N 6.864 121.368 114.554 -0.083 0.000 2.837 199 T HA 0.544 4.894 4.350 -0.000 0.000 0.285 199 T C -0.393 174.210 174.700 -0.162 0.000 0.984 199 T CA -0.091 62.020 62.100 0.018 0.000 1.049 199 T CB 0.579 69.479 68.868 0.054 0.000 0.947 199 T HN 0.134 nan 8.240 nan 0.000 0.472 200 F N 4.112 124.130 119.950 0.113 0.000 2.366 200 F HA 0.353 4.880 4.527 0.000 0.000 0.366 200 F C -2.232 173.607 175.800 0.066 0.000 1.096 200 F CA -2.633 55.407 58.000 0.066 0.000 1.060 200 F CB 1.447 40.453 39.000 0.011 0.000 1.282 200 F HN 0.285 nan 8.300 nan 0.000 0.450 201 P HA 0.216 nan 4.420 nan 0.000 0.271 201 P C 0.768 177.958 177.300 -0.184 0.000 1.233 201 P CA 0.559 63.651 63.100 -0.015 0.000 0.764 201 P CB 1.004 32.676 31.700 -0.046 0.000 0.825 202 G N 2.376 111.023 108.800 -0.254 0.000 2.175 202 G HA2 0.039 3.999 3.960 -0.000 0.000 0.244 202 G HA3 0.039 3.999 3.960 -0.000 0.000 0.244 202 G C 0.550 175.363 174.900 -0.145 0.000 0.982 202 G CA 0.210 45.137 45.100 -0.288 0.000 0.641 202 G HN 0.986 nan 8.290 nan 0.000 0.527 203 G N -0.885 107.899 108.800 -0.026 0.000 2.681 203 G HA2 0.119 4.079 3.960 -0.000 0.000 0.220 203 G HA3 0.119 4.079 3.960 -0.000 0.000 0.220 203 G C -0.351 174.566 174.900 0.027 0.000 1.353 203 G CA -0.065 45.055 45.100 0.033 0.000 0.872 203 G HN 1.409 nan 8.290 nan 0.000 0.557 204 I N 0.485 121.077 120.570 0.035 0.000 2.499 204 I HA 0.407 4.577 4.170 -0.000 0.000 0.288 204 I C 0.720 176.893 176.117 0.093 0.000 1.048 204 I CA -0.832 60.488 61.300 0.034 0.000 1.062 204 I CB 1.980 39.950 38.000 -0.050 0.000 1.238 204 I HN 0.515 nan 8.210 nan 0.000 0.426 205 R N 6.259 126.866 120.500 0.178 0.000 2.641 205 R HA 0.180 4.520 4.340 -0.000 0.000 0.269 205 R C -1.397 174.861 176.300 -0.070 0.000 1.074 205 R CA -1.287 54.830 56.100 0.028 0.000 1.133 205 R CB 0.531 30.832 30.300 0.003 0.000 1.029 205 R HN 0.374 nan 8.270 nan 0.000 0.488 206 P HA -0.206 nan 4.420 nan 0.000 0.220 206 P C 0.657 177.828 177.300 -0.215 0.000 1.148 206 P CA 1.320 64.296 63.100 -0.207 0.000 0.803 206 P CB 0.087 31.663 31.700 -0.208 0.000 0.782 207 E N -0.399 119.588 120.200 -0.356 0.000 2.409 207 E HA -0.133 4.217 4.350 -0.000 0.000 0.198 207 E C 0.786 177.128 176.600 -0.429 0.000 1.024 207 E CA 0.807 56.939 56.400 -0.447 0.000 0.861 207 E CB -0.850 28.501 29.700 -0.583 0.000 0.788 207 E HN 0.254 nan 8.360 nan 0.000 0.521 208 F N 1.046 121.044 119.950 0.080 0.000 2.727 208 F HA 0.354 4.881 4.527 0.000 0.000 0.302 208 F C 0.872 176.879 175.800 0.345 0.000 1.097 208 F CA -0.394 57.739 58.000 0.222 0.000 1.330 208 F CB 0.197 39.246 39.000 0.083 0.000 1.084 208 F HN -0.134 nan 8.300 nan 0.000 0.578 209 I N 0.384 121.148 120.570 0.323 0.000 2.330 209 I HA 0.285 4.455 4.170 -0.000 0.000 0.286 209 I C 1.340 177.450 176.117 -0.011 0.000 1.025 209 I CA -0.374 61.025 61.300 0.164 0.000 1.197 209 I CB 1.643 39.700 38.000 0.095 0.000 1.358 209 I HN -0.018 nan 8.210 nan 0.000 0.467 210 R N 4.033 124.397 120.500 -0.227 0.000 2.080 210 R HA 0.024 4.364 4.340 -0.000 0.000 0.222 210 R C 0.567 176.682 176.300 -0.308 0.000 1.107 210 R CA 1.152 56.883 56.100 -0.615 0.000 0.980 210 R CB 0.398 30.076 30.300 -1.036 0.000 0.879 210 R HN 0.842 nan 8.270 nan 0.000 0.439 211 S N -2.552 113.094 115.700 -0.090 0.000 2.703 211 S HA 0.393 4.863 4.470 -0.000 0.000 0.273 211 S C -0.877 173.832 174.600 0.182 0.000 1.178 211 S CA -0.758 57.495 58.200 0.088 0.000 0.838 211 S CB 2.008 65.186 63.200 -0.037 0.000 1.178 211 S HN -0.001 nan 8.310 nan 0.000 0.494 212 T N 0.234 114.867 114.554 0.130 0.000 2.942 212 T HA 0.589 4.939 4.350 -0.000 0.000 0.327 212 T C -2.333 172.383 174.700 0.027 0.000 1.360 212 T CA -0.388 61.613 62.100 -0.165 0.000 1.055 212 T CB 0.916 69.338 68.868 -0.743 0.000 1.261 212 T HN 0.519 nan 8.240 nan 0.000 0.485 213 Y N 2.186 122.397 120.300 -0.149 0.000 2.330 213 Y HA 0.492 5.042 4.550 -0.000 0.000 0.336 213 Y C 0.588 176.357 175.900 -0.218 0.000 1.036 213 Y CA -1.596 56.361 58.100 -0.240 0.000 1.125 213 Y CB 1.310 39.497 38.460 -0.456 0.000 1.194 213 Y HN 0.629 nan 8.280 nan 0.000 0.469 214 E N 3.622 123.807 120.200 -0.025 0.000 2.109 214 E HA 0.313 4.663 4.350 -0.000 0.000 0.278 214 E C -1.750 174.674 176.600 -0.292 0.000 0.954 214 E CA -0.400 55.908 56.400 -0.154 0.000 0.779 214 E CB 0.519 30.310 29.700 0.152 0.000 1.093 214 E HN 0.532 nan 8.360 nan 0.000 0.401 215 Y N 2.354 122.596 120.300 -0.097 0.000 2.387 215 Y HA 0.325 4.875 4.550 -0.000 0.000 0.336 215 Y C -0.126 175.875 175.900 0.168 0.000 1.067 215 Y CA -0.542 57.565 58.100 0.013 0.000 1.114 215 Y CB 1.603 40.118 38.460 0.093 0.000 1.208 215 Y HN 0.498 nan 8.280 nan 0.000 0.458 216 H N 2.141 121.276 119.070 0.108 0.000 2.727 216 H HA 0.250 4.806 4.556 -0.000 0.000 0.330 216 H C -0.506 174.861 175.328 0.064 0.000 0.986 216 H CA -1.122 54.958 56.048 0.054 0.000 1.251 216 H CB 0.898 30.676 29.762 0.026 0.000 1.493 216 H HN 0.819 nan 8.280 nan 0.000 0.515 217 N N 2.286 121.074 118.700 0.148 0.000 2.725 217 N HA -0.248 4.492 4.740 -0.000 0.000 0.249 217 N C 1.008 176.561 175.510 0.072 0.000 1.103 217 N CA 0.368 53.466 53.050 0.080 0.000 0.707 217 N CB -0.736 37.791 38.487 0.066 0.000 1.043 217 N HN 1.094 nan 8.380 nan 0.000 0.553 218 G N -1.372 107.484 108.800 0.093 0.000 2.159 218 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.256 218 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.256 218 G C -0.358 174.655 174.900 0.188 0.000 0.977 218 G CA 0.478 45.605 45.100 0.045 0.000 0.652 218 G HN 0.424 nan 8.290 nan 0.000 0.531 219 E N -0.038 120.310 120.200 0.248 0.000 2.199 219 E HA 0.534 4.884 4.350 -0.000 0.000 0.269 219 E C 0.580 177.251 176.600 0.118 0.000 0.899 219 E CA -0.867 55.644 56.400 0.185 0.000 0.772 219 E CB 1.493 31.235 29.700 0.071 0.000 1.155 219 E HN 0.368 nan 8.360 nan 0.000 0.408 220 I N 2.471 123.000 120.570 -0.069 0.000 2.533 220 I HA -0.053 4.117 4.170 -0.000 0.000 0.284 220 I C 1.516 177.450 176.117 -0.304 0.000 1.109 220 I CA 0.021 61.078 61.300 -0.405 0.000 1.412 220 I CB 0.413 38.066 38.000 -0.578 0.000 1.396 220 I HN 0.349 nan 8.210 nan 0.000 0.543 221 V N 2.778 122.477 119.914 -0.360 0.000 3.604 221 V HA 0.417 4.537 4.120 -0.000 0.000 0.277 221 V C 0.449 176.361 176.094 -0.303 0.000 1.399 221 V CA -0.095 62.002 62.300 -0.339 0.000 1.034 221 V CB 0.074 31.580 31.823 -0.528 0.000 0.824 221 V HN 0.878 nan 8.190 nan 0.000 0.439 222 R N -0.292 120.024 120.500 -0.306 0.000 2.664 222 R HA 0.648 4.988 4.340 -0.000 0.000 0.260 222 R C -2.274 173.870 176.300 -0.261 0.000 1.062 222 R CA -0.687 55.225 56.100 -0.313 0.000 0.902 222 R CB 2.031 32.118 30.300 -0.355 0.000 1.258 222 R HN 0.291 nan 8.270 nan 0.000 0.465 223 I N 2.810 123.205 120.570 -0.291 0.000 2.389 223 I HA 0.400 4.570 4.170 -0.000 0.000 0.288 223 I C -1.034 174.951 176.117 -0.221 0.000 0.999 223 I CA -0.481 60.757 61.300 -0.104 0.000 1.129 223 I CB 1.452 39.424 38.000 -0.047 0.000 1.288 223 I HN 0.470 nan 8.210 nan 0.000 0.444 224 W N 7.005 128.300 121.300 -0.008 0.000 2.478 224 W HA 0.549 5.209 4.660 -0.000 0.000 0.318 224 W C -0.483 176.063 176.519 0.045 0.000 1.062 224 W CA -0.550 56.812 57.345 0.030 0.000 1.210 224 W CB 1.213 30.723 29.460 0.083 0.000 1.325 224 W HN 0.089 nan 8.180 nan 0.000 0.496 225 I N 3.625 124.268 120.570 0.121 0.000 2.377 225 I HA 0.123 4.293 4.170 -0.000 0.000 0.293 225 I C -0.195 175.938 176.117 0.026 0.000 0.987 225 I CA -1.132 60.111 61.300 -0.095 0.000 1.185 225 I CB 1.313 38.952 38.000 -0.602 0.000 1.341 225 I HN 0.391 nan 8.210 nan 0.000 0.455 226 N N 8.540 127.092 118.700 -0.247 0.000 2.469 226 N HA 0.297 5.037 4.740 -0.000 0.000 0.239 226 N C -1.998 173.517 175.510 0.009 0.000 1.053 226 N CA -2.066 50.726 53.050 -0.430 0.000 0.937 226 N CB 1.425 39.292 38.487 -1.033 0.000 1.163 226 N HN 0.208 nan 8.380 nan 0.000 0.509 227 P HA -0.016 nan 4.420 nan 0.000 0.222 227 P C 0.067 177.478 177.300 0.184 0.000 1.147 227 P CA 0.914 64.180 63.100 0.277 0.000 0.790 227 P CB 0.309 32.212 31.700 0.339 0.000 0.780 228 N N -1.057 117.725 118.700 0.137 0.000 2.314 228 N HA 0.019 4.759 4.740 -0.000 0.000 0.200 228 N C 0.161 175.678 175.510 0.013 0.000 1.135 228 N CA -0.151 52.938 53.050 0.066 0.000 0.835 228 N CB -0.471 38.056 38.487 0.067 0.000 0.989 228 N HN 0.159 nan 8.380 nan 0.000 0.478 229 F N 1.657 121.552 119.950 -0.091 0.000 2.607 229 F HA -0.039 4.488 4.527 -0.000 0.000 0.374 229 F C 1.690 177.450 175.800 -0.065 0.000 1.104 229 F CA -0.726 57.216 58.000 -0.096 0.000 1.296 229 F CB 0.607 39.576 39.000 -0.052 0.000 1.085 229 F HN -0.127 nan 8.300 nan 0.000 0.584 230 I N 3.939 123.966 120.570 -0.905 0.000 2.290 230 I HA -0.310 3.860 4.170 -0.000 0.000 0.253 230 I C 0.826 176.612 176.117 -0.551 0.000 1.112 230 I CA 1.598 62.488 61.300 -0.682 0.000 1.377 230 I CB -0.947 36.701 38.000 -0.587 0.000 1.060 230 I HN 0.709 nan 8.210 nan 0.000 0.428 231 N N -0.366 117.888 118.700 -0.742 0.000 2.804 231 N HA 0.237 4.977 4.740 -0.000 0.000 0.251 231 N C -2.070 173.481 175.510 0.068 0.000 1.250 231 N CA -1.279 51.638 53.050 -0.220 0.000 0.820 231 N CB 1.055 39.467 38.487 -0.125 0.000 1.156 231 N HN -0.100 nan 8.380 nan 0.000 0.512 232 P HA -0.129 nan 4.420 nan 0.000 0.225 232 P C 1.120 178.498 177.300 0.130 0.000 1.148 232 P CA 0.920 64.107 63.100 0.145 0.000 0.779 232 P CB 0.137 31.890 31.700 0.087 0.000 0.780 233 S N -1.261 114.490 115.700 0.085 0.000 2.481 233 S HA -0.084 4.386 4.470 -0.000 0.000 0.231 233 S C 1.673 176.320 174.600 0.078 0.000 0.996 233 S CA 1.406 59.647 58.200 0.067 0.000 0.942 233 S CB -1.742 61.480 63.200 0.036 0.000 0.768 233 S HN 0.317 nan 8.310 nan 0.000 0.520 234 T N -0.370 114.249 114.554 0.108 0.000 3.107 234 T HA 0.335 4.685 4.350 -0.000 0.000 0.249 234 T C 1.551 176.302 174.700 0.085 0.000 1.096 234 T CA -0.127 62.023 62.100 0.083 0.000 1.012 234 T CB -0.631 68.276 68.868 0.065 0.000 0.977 234 T HN 0.354 nan 8.240 nan 0.000 0.527 235 L N 1.068 122.369 121.223 0.130 0.000 2.129 235 L HA -0.118 4.222 4.340 -0.000 0.000 0.212 235 L C 2.270 179.204 176.870 0.106 0.000 1.087 235 L CA 1.602 56.516 54.840 0.122 0.000 0.757 235 L CB -0.840 41.346 42.059 0.212 0.000 0.896 235 L HN 0.373 nan 8.230 nan 0.000 0.434 236 N N -0.473 118.294 118.700 0.111 0.000 2.512 236 N HA -0.129 4.611 4.740 -0.000 0.000 0.183 236 N C 0.864 176.416 175.510 0.070 0.000 1.073 236 N CA 0.445 53.555 53.050 0.100 0.000 0.911 236 N CB 0.084 38.626 38.487 0.092 0.000 0.964 236 N HN 0.291 nan 8.380 nan 0.000 0.447 237 D N 0.037 120.470 120.400 0.056 0.000 2.355 237 D HA 0.002 4.642 4.640 -0.000 0.000 0.218 237 D C -0.010 176.324 176.300 0.058 0.000 1.004 237 D CA 0.245 54.275 54.000 0.050 0.000 0.880 237 D CB 0.147 40.967 40.800 0.034 0.000 0.911 237 D HN -0.016 nan 8.370 nan 0.000 0.528 238 V N 2.226 122.168 119.914 0.046 0.000 2.493 238 V HA 0.024 4.144 4.120 -0.000 0.000 0.292 238 V C 0.896 177.036 176.094 0.076 0.000 1.016 238 V CA -0.112 62.217 62.300 0.047 0.000 1.097 238 V CB 0.529 32.354 31.823 0.004 0.000 0.947 238 V HN 0.133 nan 8.190 nan 0.000 0.479 239 S N 3.850 119.617 115.700 0.112 0.000 2.687 239 S HA 0.970 5.440 4.470 -0.000 0.000 0.283 239 S C 0.082 174.792 174.600 0.184 0.000 1.170 239 S CA -0.045 58.233 58.200 0.129 0.000 1.008 239 S CB 2.097 65.382 63.200 0.141 0.000 1.026 239 S HN 1.407 nan 8.310 nan 0.000 0.541 240 G N -0.001 108.859 108.800 0.099 0.000 2.328 240 G HA2 0.512 4.472 3.960 -0.000 0.000 0.295 240 G HA3 0.512 4.472 3.960 -0.000 0.000 0.295 240 G C -3.436 171.434 174.900 -0.050 0.000 1.413 240 G CA -0.957 44.141 45.100 -0.005 0.000 0.817 240 G HN 0.660 nan 8.290 nan 0.000 0.546 241 P HA 0.357 nan 4.420 nan 0.000 0.271 241 P C 0.305 177.565 177.300 -0.067 0.000 1.244 241 P CA -0.243 62.807 63.100 -0.083 0.000 0.793 241 P CB 0.475 32.105 31.700 -0.117 0.000 0.984 242 S N 0.295 115.968 115.700 -0.046 0.000 2.586 242 S HA 0.280 4.750 4.470 -0.000 0.000 0.274 242 S C 0.425 174.997 174.600 -0.047 0.000 1.281 242 S CA -0.442 57.736 58.200 -0.035 0.000 1.035 242 S CB 0.306 63.495 63.200 -0.018 0.000 0.962 242 S HN 0.550 nan 8.310 nan 0.000 0.512 243 N N -0.411 118.265 118.700 -0.041 0.000 2.776 243 N HA -0.155 4.585 4.740 -0.000 0.000 0.249 243 N C -1.147 174.322 175.510 -0.069 0.000 1.111 243 N CA 0.553 53.576 53.050 -0.045 0.000 0.711 243 N CB -1.672 36.794 38.487 -0.036 0.000 1.065 243 N HN 0.772 nan 8.380 nan 0.000 0.556 244 I N 0.327 120.843 120.570 -0.091 0.000 2.392 244 I HA 0.180 4.350 4.170 -0.000 0.000 0.295 244 I C 0.706 176.743 176.117 -0.133 0.000 0.985 244 I CA -0.606 60.617 61.300 -0.129 0.000 1.221 244 I CB 1.535 39.430 38.000 -0.176 0.000 1.366 244 I HN 0.168 nan 8.210 nan 0.000 0.467 245 S N 6.329 121.939 115.700 -0.150 0.000 2.673 245 S HA -0.045 4.425 4.470 -0.000 0.000 0.308 245 S C -0.176 174.290 174.600 -0.223 0.000 1.246 245 S CA 0.206 58.306 58.200 -0.166 0.000 1.077 245 S CB -0.103 62.982 63.200 -0.191 0.000 0.814 245 S HN 0.532 nan 8.310 nan 0.000 0.503 246 K N 4.774 125.066 120.400 -0.180 0.000 2.358 246 K HA 0.589 4.909 4.320 -0.000 0.000 0.260 246 K C -1.515 174.949 176.600 -0.226 0.000 0.956 246 K CA -0.745 55.414 56.287 -0.212 0.000 0.834 246 K CB 1.166 33.598 32.500 -0.113 0.000 1.102 246 K HN 0.466 nan 8.250 nan 0.000 0.431 247 V N 5.175 124.843 119.914 -0.410 0.000 2.604 247 V HA 0.437 4.557 4.120 -0.000 0.000 0.305 247 V C -0.808 175.161 176.094 -0.208 0.000 1.043 247 V CA -0.837 61.264 62.300 -0.333 0.000 0.888 247 V CB 1.393 32.729 31.823 -0.813 0.000 0.995 247 V HN 0.629 nan 8.190 nan 0.000 0.429 248 F N 3.100 123.117 119.950 0.113 0.000 2.404 248 F HA 0.326 4.853 4.527 -0.000 0.000 0.358 248 F C 0.222 176.261 175.800 0.399 0.000 1.120 248 F CA -0.063 58.092 58.000 0.259 0.000 1.144 248 F CB 0.666 39.785 39.000 0.199 0.000 1.133 248 F HN 0.614 nan 8.300 nan 0.000 0.495 249 W N 5.826 127.383 121.300 0.428 0.000 2.150 249 W HA 0.351 5.011 4.660 -0.000 0.000 0.341 249 W C -0.421 176.343 176.519 0.409 0.000 1.276 249 W CA 0.154 57.768 57.345 0.449 0.000 1.238 249 W CB 0.344 30.143 29.460 0.565 0.000 1.128 249 W HN 0.639 nan 8.180 nan 0.000 0.581 250 H N 0.598 119.224 119.070 -0.740 0.000 3.037 250 H HA 0.387 4.943 4.556 -0.000 0.000 0.355 250 H C -1.029 173.295 175.328 -1.673 0.000 1.263 250 H CA -1.270 54.188 56.048 -0.983 0.000 1.129 250 H CB 0.675 30.254 29.762 -0.306 0.000 1.861 250 H HN 0.482 nan 8.280 nan 0.000 0.546 251 E N 0.818 120.395 120.200 -1.038 0.000 2.568 251 E HA -0.099 4.251 4.350 -0.000 0.000 0.262 251 E C -0.316 176.176 176.600 -0.179 0.000 0.961 251 E CA 0.863 56.980 56.400 -0.472 0.000 0.945 251 E CB -0.026 29.614 29.700 -0.100 0.000 0.924 251 E HN 0.828 nan 8.360 nan 0.000 0.467 252 N N 1.260 119.937 118.700 -0.040 0.000 2.725 252 N HA -0.240 4.500 4.740 -0.000 0.000 0.249 252 N C -0.322 175.178 175.510 -0.018 0.000 1.103 252 N CA 0.113 53.174 53.050 0.018 0.000 0.707 252 N CB -0.958 37.550 38.487 0.035 0.000 1.043 252 N HN 0.492 nan 8.380 nan 0.000 0.553 253 H N 1.146 120.053 119.070 -0.273 0.000 3.001 253 H HA 0.042 4.598 4.556 -0.000 0.000 0.334 253 H C 1.530 176.863 175.328 0.008 0.000 1.034 253 H CA 1.467 57.325 56.048 -0.316 0.000 1.420 253 H CB 0.899 30.469 29.762 -0.320 0.000 1.405 253 H HN 0.382 nan 8.280 nan 0.000 0.593 254 S N 2.907 118.601 115.700 -0.010 0.000 2.419 254 S HA -0.165 4.305 4.470 -0.000 0.000 0.235 254 S C 1.125 175.908 174.600 0.304 0.000 1.019 254 S CA 1.603 59.887 58.200 0.140 0.000 0.982 254 S CB 0.045 63.282 63.200 0.063 0.000 0.789 254 S HN 0.750 nan 8.310 nan 0.000 0.490 255 E N 0.362 120.918 120.200 0.593 0.000 2.501 255 E HA 0.288 4.638 4.350 -0.000 0.000 0.200 255 E C 1.155 178.080 176.600 0.542 0.000 1.016 255 E CA 0.080 56.781 56.400 0.502 0.000 0.921 255 E CB 0.423 30.400 29.700 0.462 0.000 1.034 255 E HN 0.625 nan 8.360 nan 0.000 0.468 256 G N 0.352 109.362 108.800 0.350 0.000 3.314 256 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.238 256 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.238 256 G C 0.599 175.442 174.900 -0.094 0.000 1.184 256 G CA -0.177 44.856 45.100 -0.113 0.000 0.806 256 G HN 0.088 nan 8.290 nan 0.000 0.536 257 N N -0.012 118.721 118.700 0.054 0.000 2.197 257 N HA 0.095 4.835 4.740 -0.000 0.000 0.228 257 N C 0.252 175.808 175.510 0.076 0.000 1.212 257 N CA -0.528 52.539 53.050 0.030 0.000 0.883 257 N CB 0.562 39.079 38.487 0.050 0.000 1.107 257 N HN 0.076 nan 8.380 nan 0.000 0.519 271 N N 5.241 123.662 118.700 -0.465 0.000 2.527 271 N HA 0.160 4.900 4.740 -0.000 0.000 0.236 271 N C 0.591 175.648 175.510 -0.754 0.000 0.999 271 N CA -0.038 52.761 53.050 -0.418 0.000 0.935 271 N CB 1.252 39.685 38.487 -0.090 0.000 1.132 271 N HN 0.890 nan 8.380 nan 0.000 0.511 272 Q N 1.230 120.546 119.800 -0.806 0.000 2.364 272 Q HA -0.099 4.241 4.340 -0.000 0.000 0.209 272 Q C -0.615 175.345 176.000 -0.067 0.000 0.977 272 Q CA 1.183 56.700 55.803 -0.477 0.000 0.885 272 Q CB 0.160 28.846 28.738 -0.088 0.000 0.941 272 Q HN 0.377 nan 8.270 nan 0.000 0.464 273 D N -0.242 120.142 120.400 -0.026 0.000 2.363 273 D HA 0.068 4.708 4.640 -0.000 0.000 0.214 273 D C 0.795 177.171 176.300 0.125 0.000 1.093 273 D CA -0.243 53.804 54.000 0.079 0.000 0.837 273 D CB -0.151 40.707 40.800 0.096 0.000 0.948 273 D HN 0.163 nan 8.370 nan 0.000 0.507 274 F N 1.745 121.690 119.950 -0.009 0.000 2.126 274 F HA -0.161 4.366 4.527 -0.000 0.000 0.299 274 F C 0.968 176.850 175.800 0.136 0.000 1.096 274 F CA 1.157 59.187 58.000 0.050 0.000 1.255 274 F CB 0.264 39.280 39.000 0.027 0.000 0.997 274 F HN -0.185 nan 8.300 nan 0.000 0.479 278 A N 5.347 127.658 122.820 -0.848 0.000 1.896 278 A HA -0.090 4.230 4.320 -0.000 0.000 0.220 278 A C -1.049 176.082 177.584 -0.755 0.000 1.206 278 A CA 2.464 54.018 52.037 -0.804 0.000 0.647 278 A CB -1.869 16.643 19.000 -0.812 0.000 0.828 278 A HN 0.610 nan 8.150 nan 0.000 0.455 279 P HA -0.050 nan 4.420 nan 0.000 0.228 279 P C 0.257 177.301 177.300 -0.428 0.000 1.151 279 P CA 0.902 63.524 63.100 -0.796 0.000 0.770 279 P CB -0.190 30.984 31.700 -0.876 0.000 0.786 280 N N -0.635 117.792 118.700 -0.455 0.000 2.370 280 N HA 0.172 4.912 4.740 -0.000 0.000 0.198 280 N C 0.963 176.065 175.510 -0.680 0.000 1.156 280 N CA 0.423 53.257 53.050 -0.360 0.000 0.839 280 N CB 0.266 38.513 38.487 -0.401 0.000 0.989 280 N HN 0.152 nan 8.380 nan 0.000 0.468 281 G N -0.436 107.793 108.800 -0.951 0.000 2.561 281 G HA2 0.554 4.514 3.960 -0.000 0.000 0.310 281 G HA3 0.554 4.514 3.960 -0.000 0.000 0.310 281 G C -1.710 172.433 174.900 -1.261 0.000 1.292 281 G CA -0.638 43.471 45.100 -1.652 0.000 0.811 281 G HN 0.151 nan 8.290 nan 0.000 0.482 282 E N -1.857 117.459 120.200 -1.472 0.000 2.421 282 E HA 0.291 4.641 4.350 -0.000 0.000 0.278 282 E C -1.627 174.586 176.600 -0.644 0.000 1.141 282 E CA -0.985 54.971 56.400 -0.741 0.000 0.880 282 E CB 0.824 30.349 29.700 -0.292 0.000 1.381 282 E HN 0.442 nan 8.360 nan 0.000 0.436 283 I N 2.515 122.956 120.570 -0.215 0.000 2.308 283 I HA 0.177 4.347 4.170 -0.000 0.000 0.293 283 I C -1.426 174.623 176.117 -0.114 0.000 1.078 283 I CA -1.866 59.372 61.300 -0.103 0.000 1.292 283 I CB 0.844 38.862 38.000 0.031 0.000 1.423 283 I HN 0.453 nan 8.210 nan 0.000 0.493 284 P HA -0.076 nan 4.420 nan 0.000 0.219 284 P C -0.459 176.802 177.300 -0.064 0.000 1.150 284 P CA 1.278 64.310 63.100 -0.113 0.000 0.814 284 P CB 0.068 31.686 31.700 -0.137 0.000 0.787 285 N N -2.723 115.950 118.700 -0.044 0.000 3.395 285 N HA 0.112 4.852 4.740 -0.000 0.000 0.293 285 N C -0.741 174.764 175.510 -0.009 0.000 1.489 285 N CA -0.720 52.316 53.050 -0.024 0.000 0.871 285 N CB -0.606 37.867 38.487 -0.025 0.000 1.649 285 N HN -0.380 nan 8.380 nan 0.000 0.501 286 N N -0.889 117.810 118.700 -0.002 0.000 2.338 286 N HA 0.233 4.973 4.740 -0.000 0.000 0.251 286 N C -1.005 174.509 175.510 0.008 0.000 1.199 286 N CA -0.307 52.747 53.050 0.006 0.000 0.879 286 N CB -0.335 38.159 38.487 0.012 0.000 1.159 286 N HN 0.415 nan 8.380 nan 0.000 0.514 287 N N 0.705 119.407 118.700 0.005 0.000 2.444 287 N HA 0.151 4.891 4.740 -0.000 0.000 0.255 287 N C 0.422 175.941 175.510 0.014 0.000 1.255 287 N CA -0.057 52.999 53.050 0.009 0.000 0.933 287 N CB 1.176 39.666 38.487 0.005 0.000 1.143 287 N HN 0.122 nan 8.380 nan 0.000 0.453 288 L N 1.091 122.326 121.223 0.020 0.000 2.453 288 L HA 0.054 4.394 4.340 -0.000 0.000 0.272 288 L C 0.767 177.655 176.870 0.030 0.000 1.182 288 L CA -0.433 54.422 54.840 0.026 0.000 0.858 288 L CB 0.269 42.347 42.059 0.032 0.000 1.120 288 L HN 0.295 nan 8.230 nan 0.000 0.474 289 L N 4.746 125.991 121.223 0.036 0.000 2.648 289 L HA 0.136 4.476 4.340 -0.000 0.000 0.238 289 L C 0.646 177.551 176.870 0.057 0.000 1.316 289 L CA 0.310 55.184 54.840 0.056 0.000 1.241 289 L CB -0.879 41.221 42.059 0.069 0.000 1.499 289 L HN 0.694 nan 8.230 nan 0.000 0.411 290 N N -1.358 117.366 118.700 0.042 0.000 2.200 290 N HA 0.084 4.824 4.740 -0.000 0.000 0.224 290 N C -0.185 175.334 175.510 0.016 0.000 1.179 290 N CA -0.380 52.690 53.050 0.032 0.000 0.877 290 N CB -0.111 38.396 38.487 0.033 0.000 1.072 290 N HN 0.407 nan 8.380 nan 0.000 0.519 291 N N -0.107 118.603 118.700 0.016 0.000 2.813 291 N HA 0.276 5.016 4.740 -0.000 0.000 0.320 291 N C -0.176 175.328 175.510 -0.010 0.000 1.315 291 N CA -0.810 52.243 53.050 0.003 0.000 0.871 291 N CB -0.065 38.429 38.487 0.011 0.000 1.241 291 N HN -0.094 nan 8.380 nan 0.000 0.602 292 N N -1.631 117.061 118.700 -0.013 0.000 2.398 292 N HA 0.049 4.789 4.740 -0.000 0.000 0.188 292 N C -0.217 175.315 175.510 0.037 0.000 1.122 292 N CA -0.049 52.982 53.050 -0.032 0.000 0.866 292 N CB 0.142 38.602 38.487 -0.045 0.000 0.970 292 N HN 0.625 nan 8.380 nan 0.000 0.462 293 S N 0.079 115.823 115.700 0.074 0.000 2.738 293 S HA 0.368 4.838 4.470 -0.000 0.000 0.284 293 S C 0.494 175.199 174.600 0.175 0.000 1.146 293 S CA -0.828 57.444 58.200 0.119 0.000 0.997 293 S CB 0.875 64.105 63.200 0.049 0.000 1.081 293 S HN 0.118 nan 8.310 nan 0.000 0.553 294 L N -1.245 120.026 121.223 0.080 0.000 2.741 294 L HA 0.540 4.880 4.340 -0.000 0.000 0.237 294 L C 0.257 177.125 176.870 -0.003 0.000 1.178 294 L CA -0.285 54.569 54.840 0.024 0.000 0.973 294 L CB -1.855 40.033 42.059 -0.285 0.000 1.255 294 L HN 0.874 nan 8.230 nan 0.000 0.498 295 N N -1.157 117.545 118.700 0.003 0.000 2.747 295 N HA -0.143 4.597 4.740 -0.000 0.000 0.249 295 N C -0.638 174.839 175.510 -0.055 0.000 1.107 295 N CA 0.419 53.460 53.050 -0.015 0.000 0.707 295 N CB -0.811 37.679 38.487 0.004 0.000 1.054 295 N HN 0.282 nan 8.380 nan 0.000 0.555 296 V N 1.536 121.402 119.914 -0.080 0.000 2.487 296 V HA 0.410 4.530 4.120 -0.000 0.000 0.298 296 V C 0.617 176.664 176.094 -0.077 0.000 1.028 296 V CA -0.672 61.565 62.300 -0.104 0.000 0.860 296 V CB 1.841 33.566 31.823 -0.164 0.000 0.991 296 V HN 0.114 nan 8.190 nan 0.000 0.427 297 I N 4.841 125.370 120.570 -0.068 0.000 2.683 297 I HA 0.055 4.225 4.170 -0.000 0.000 0.286 297 I C 0.866 176.950 176.117 -0.055 0.000 1.175 297 I CA 0.258 61.526 61.300 -0.053 0.000 1.429 297 I CB 0.334 38.305 38.000 -0.048 0.000 1.371 297 I HN 0.616 nan 8.210 nan 0.000 0.569 298 Q N 0.000 119.775 119.800 -0.042 0.000 2.315 298 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 298 Q CA 0.000 55.780 55.803 -0.038 0.000 1.022 298 Q CB 0.000 28.723 28.738 -0.026 0.000 1.108 298 Q HN 0.000 nan 8.270 nan 0.000 0.481