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 3lt4_1_B DATA FIRST_RESID 96 DATA SEQUENCE NEDICFIAGI GDTNGYGWGI AKELSKRNVK IIFGIWPPVY NIFMKNYKNG DATA SEQUENCE KFDNDMIIDK DKKMNILDML PFDASFDTAN DIDEETKNNK RYNMLQNYTI DATA SEQUENCE EDVANLIHQK YGKINMLVHS LANAKEVQKD LLNTSRKGYL DALSKSSYSL DATA SEQUENCE ISLCKYFVNI MKPQSSIISL TYHASQKVVP GYGGGMSSAK AALESDTRVL DATA SEQUENCE AYHLGRNYNI RINTISAGPL KSRAATAINK LXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XTFIDYAIEY SEKYAPLRQK LLSTDIGSVA DATA SEQUENCE SFLLSRESRA ITGQTIYVDN GLNIMFLPD 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 96 N HA 0.000 nan 4.740 nan 0.000 0.220 96 N C 0.000 175.515 175.510 0.009 0.000 1.280 96 N CA 0.000 53.055 53.050 0.008 0.000 0.885 96 N CB 0.000 38.492 38.487 0.008 0.000 1.341 97 E N 1.013 121.216 120.200 0.006 0.000 2.332 97 E HA -0.168 4.182 4.350 -0.000 0.000 0.162 97 E C -1.394 175.208 176.600 0.004 0.000 1.637 97 E CA 0.532 56.935 56.400 0.004 0.000 0.654 97 E CB -1.008 28.699 29.700 0.012 0.000 1.072 97 E HN 0.673 nan 8.360 nan 0.000 0.336 98 D N 2.081 122.480 120.400 -0.003 0.000 2.351 98 D HA 0.285 4.925 4.640 -0.000 0.000 0.251 98 D C 0.463 176.755 176.300 -0.013 0.000 1.137 98 D CA 0.323 54.321 54.000 -0.004 0.000 0.879 98 D CB 0.587 41.382 40.800 -0.008 0.000 1.181 98 D HN 0.269 nan 8.370 nan 0.000 0.448 99 I N 1.530 122.098 120.570 -0.004 0.000 2.465 99 I HA 0.263 4.433 4.170 -0.000 0.000 0.291 99 I C -0.459 175.668 176.117 0.016 0.000 1.014 99 I CA -0.802 60.490 61.300 -0.014 0.000 1.093 99 I CB 2.254 40.242 38.000 -0.021 0.000 1.267 99 I HN 0.248 nan 8.210 nan 0.000 0.431 100 C N 6.767 126.074 119.300 0.012 0.000 2.396 100 C HA 0.521 4.981 4.460 -0.000 0.000 0.321 100 C C -0.564 174.479 174.990 0.089 0.000 1.233 100 C CA -0.743 58.294 59.018 0.031 0.000 1.440 100 C CB 0.397 28.129 27.740 -0.013 0.000 2.110 100 C HN 0.728 nan 8.230 nan 0.000 0.473 101 F N 7.168 127.077 119.950 -0.068 0.000 2.411 101 F HA 0.654 5.181 4.527 -0.000 0.000 0.355 101 F C -0.143 175.558 175.800 -0.165 0.000 1.117 101 F CA -0.488 57.450 58.000 -0.103 0.000 1.139 101 F CB 0.525 39.446 39.000 -0.132 0.000 1.120 101 F HN 0.496 nan 8.300 nan 0.000 0.493 102 I N 7.163 127.322 120.570 -0.685 0.000 2.330 102 I HA 0.314 4.484 4.170 -0.000 0.000 0.286 102 I C -0.106 175.385 176.117 -1.043 0.000 1.025 102 I CA -0.675 60.222 61.300 -0.672 0.000 1.197 102 I CB 1.192 38.975 38.000 -0.362 0.000 1.358 102 I HN 0.694 nan 8.210 nan 0.000 0.467 103 A N 5.255 127.469 122.820 -1.010 0.000 2.343 103 A HA 0.656 4.976 4.320 -0.000 0.000 0.305 103 A C 0.799 178.164 177.584 -0.365 0.000 1.308 103 A CA 0.005 51.593 52.037 -0.747 0.000 0.949 103 A CB -0.132 18.542 19.000 -0.543 0.000 1.148 103 A HN 1.077 nan 8.150 nan 0.000 0.545 104 G N 2.348 110.994 108.800 -0.256 0.000 2.678 104 G HA2 0.003 3.963 3.960 -0.000 0.000 0.175 104 G HA3 0.003 3.963 3.960 -0.000 0.000 0.175 104 G C -0.635 174.120 174.900 -0.240 0.000 1.078 104 G CA -0.287 44.688 45.100 -0.207 0.000 0.864 104 G HN 0.831 nan 8.290 nan 0.000 0.521 105 I N -0.211 120.180 120.570 -0.299 0.000 2.608 105 I HA 0.767 4.937 4.170 -0.000 0.000 0.295 105 I C 0.979 176.900 176.117 -0.327 0.000 1.049 105 I CA -0.639 60.443 61.300 -0.365 0.000 1.063 105 I CB 2.144 39.730 38.000 -0.690 0.000 1.248 105 I HN 0.265 nan 8.210 nan 0.000 0.424 106 G N 3.268 111.963 108.800 -0.175 0.000 3.738 106 G HA2 0.351 4.311 3.960 -0.000 0.000 0.241 106 G HA3 0.351 4.311 3.960 -0.000 0.000 0.241 106 G C -0.459 174.584 174.900 0.239 0.000 1.068 106 G CA 0.213 45.315 45.100 0.005 0.000 0.899 106 G HN 0.788 nan 8.290 nan 0.000 0.519 107 D N -2.355 118.114 120.400 0.114 0.000 3.010 107 D HA 0.245 4.885 4.640 -0.000 0.000 0.353 107 D C 0.530 176.610 176.300 -0.367 0.000 1.415 107 D CA 0.310 54.281 54.000 -0.049 0.000 0.864 107 D CB -0.099 40.689 40.800 -0.020 0.000 1.445 107 D HN 0.003 nan 8.370 nan 0.000 0.516 108 T N -3.300 110.841 114.554 -0.689 0.000 3.134 108 T HA 0.255 4.605 4.350 -0.000 0.000 0.260 108 T C 0.099 174.509 174.700 -0.483 0.000 1.027 108 T CA -0.260 61.200 62.100 -1.067 0.000 0.913 108 T CB -0.507 67.335 68.868 -1.711 0.000 1.046 108 T HN 0.336 nan 8.240 nan 0.000 0.553 109 N N 1.057 119.605 118.700 -0.253 0.000 2.236 109 N HA 0.222 4.962 4.740 -0.000 0.000 0.196 109 N C 0.947 176.375 175.510 -0.136 0.000 1.114 109 N CA 0.110 53.066 53.050 -0.156 0.000 0.859 109 N CB 0.887 39.302 38.487 -0.120 0.000 0.982 109 N HN 0.614 nan 8.380 nan 0.000 0.493 110 G N -0.820 107.917 108.800 -0.106 0.000 2.753 110 G HA2 0.292 4.252 3.960 -0.000 0.000 0.285 110 G HA3 0.292 4.252 3.960 -0.000 0.000 0.285 110 G C -0.002 174.840 174.900 -0.096 0.000 1.344 110 G CA -0.300 44.717 45.100 -0.139 0.000 1.050 110 G HN -0.042 nan 8.290 nan 0.000 0.532 111 Y N 0.505 120.805 120.300 0.000 0.000 2.337 111 Y HA 0.063 4.613 4.550 -0.000 0.000 0.293 111 Y C 2.871 178.753 175.900 -0.030 0.000 1.123 111 Y CA 1.059 59.157 58.100 -0.003 0.000 1.201 111 Y CB -0.443 38.008 38.460 -0.013 0.000 1.011 111 Y HN 0.508 nan 8.280 nan 0.000 0.545 112 G N -0.264 108.578 108.800 0.070 0.000 2.469 112 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.219 112 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.219 112 G C 1.679 176.532 174.900 -0.079 0.000 1.150 112 G CA 0.771 45.827 45.100 -0.074 0.000 0.763 112 G HN 0.544 nan 8.290 nan 0.000 0.561 113 W N 1.768 122.958 121.300 -0.183 0.000 2.381 113 W HA -0.054 4.606 4.660 -0.000 0.000 0.301 113 W C 2.385 178.879 176.519 -0.043 0.000 1.205 113 W CA 1.413 58.672 57.345 -0.143 0.000 1.285 113 W CB -0.412 28.966 29.460 -0.137 0.000 1.133 113 W HN 0.243 nan 8.180 nan 0.000 0.521 114 G N 1.061 109.942 108.800 0.136 0.000 2.422 114 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.218 114 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.218 114 G C 1.546 176.441 174.900 -0.008 0.000 1.146 114 G CA 1.265 46.415 45.100 0.083 0.000 0.769 114 G HN 0.280 nan 8.290 nan 0.000 0.547 115 I N 1.296 121.859 120.570 -0.012 0.000 2.202 115 I HA -0.152 4.018 4.170 -0.000 0.000 0.242 115 I C 3.306 179.358 176.117 -0.109 0.000 1.091 115 I CA 0.943 62.213 61.300 -0.049 0.000 1.368 115 I CB -0.246 37.722 38.000 -0.053 0.000 1.058 115 I HN 0.239 nan 8.210 nan 0.000 0.410 116 A N 0.666 123.374 122.820 -0.186 0.000 1.883 116 A HA -0.286 4.034 4.320 -0.000 0.000 0.217 116 A C 2.367 179.805 177.584 -0.244 0.000 1.186 116 A CA 2.059 53.972 52.037 -0.206 0.000 0.624 116 A CB -0.573 18.272 19.000 -0.259 0.000 0.822 116 A HN 0.325 nan 8.150 nan 0.000 0.444 117 K N -0.742 119.453 120.400 -0.341 0.000 2.026 117 K HA -0.165 4.155 4.320 -0.000 0.000 0.208 117 K C 1.976 178.508 176.600 -0.114 0.000 1.048 117 K CA 1.554 57.687 56.287 -0.256 0.000 0.929 117 K CB -0.071 32.294 32.500 -0.225 0.000 0.713 117 K HN 0.410 nan 8.250 nan 0.000 0.439 118 E N 0.626 120.780 120.200 -0.077 0.000 2.107 118 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 118 E C 2.110 178.691 176.600 -0.032 0.000 0.982 118 E CA 0.824 57.204 56.400 -0.033 0.000 0.809 118 E CB -0.091 29.604 29.700 -0.008 0.000 0.756 118 E HN 0.346 nan 8.360 nan 0.000 0.459 119 L N 0.501 121.696 121.223 -0.047 0.000 2.083 119 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 119 L C 2.656 179.501 176.870 -0.041 0.000 1.083 119 L CA 0.899 55.716 54.840 -0.039 0.000 0.752 119 L CB -0.377 41.654 42.059 -0.046 0.000 0.899 119 L HN 0.060 nan 8.230 nan 0.000 0.433 120 S N -0.247 115.416 115.700 -0.061 0.000 2.368 120 S HA -0.201 4.269 4.470 -0.000 0.000 0.225 120 S C 1.982 176.561 174.600 -0.033 0.000 1.030 120 S CA 1.336 59.502 58.200 -0.056 0.000 0.999 120 S CB -0.038 63.113 63.200 -0.082 0.000 0.844 120 S HN 0.288 nan 8.310 nan 0.000 0.459 121 K N 0.294 120.677 120.400 -0.028 0.000 2.160 121 K HA -0.128 4.191 4.320 -0.000 0.000 0.206 121 K C 2.125 178.722 176.600 -0.005 0.000 1.047 121 K CA 1.249 57.530 56.287 -0.011 0.000 0.930 121 K CB -0.120 32.377 32.500 -0.005 0.000 0.720 121 K HN 0.246 nan 8.250 nan 0.000 0.450 122 R N 0.388 120.884 120.500 -0.007 0.000 2.317 122 R HA -0.009 4.331 4.340 -0.000 0.000 0.208 122 R C -0.150 176.146 176.300 -0.006 0.000 0.914 122 R CA 0.324 56.423 56.100 -0.001 0.000 1.060 122 R CB 0.190 30.492 30.300 0.003 0.000 1.015 122 R HN 0.141 nan 8.270 nan 0.000 0.498 123 N N -0.746 117.947 118.700 -0.013 0.000 2.901 123 N HA -0.141 4.599 4.740 -0.000 0.000 0.248 123 N C -0.922 174.576 175.510 -0.021 0.000 1.044 123 N CA 0.947 53.989 53.050 -0.015 0.000 0.847 123 N CB -1.456 37.027 38.487 -0.007 0.000 1.127 123 N HN 0.022 nan 8.380 nan 0.000 0.562 124 V N 1.428 121.327 119.914 -0.025 0.000 2.637 124 V HA 0.058 4.178 4.120 -0.000 0.000 0.296 124 V C 1.092 177.159 176.094 -0.046 0.000 1.046 124 V CA 0.040 62.321 62.300 -0.030 0.000 1.066 124 V CB 1.043 32.849 31.823 -0.029 0.000 0.968 124 V HN 0.023 nan 8.190 nan 0.000 0.483 125 K N 5.395 125.761 120.400 -0.056 0.000 2.276 125 K HA 0.505 4.825 4.320 -0.000 0.000 0.283 125 K C -0.297 176.248 176.600 -0.093 0.000 1.044 125 K CA -0.128 56.106 56.287 -0.088 0.000 0.944 125 K CB 0.808 33.239 32.500 -0.116 0.000 1.012 125 K HN 0.689 nan 8.250 nan 0.000 0.472 126 I N 1.069 121.571 120.570 -0.112 0.000 2.406 126 I HA 0.472 4.642 4.170 -0.000 0.000 0.290 126 I C -0.636 175.406 176.117 -0.125 0.000 0.999 126 I CA -0.935 60.319 61.300 -0.076 0.000 1.124 126 I CB 1.162 39.150 38.000 -0.020 0.000 1.289 126 I HN 0.431 nan 8.210 nan 0.000 0.441 127 I N 6.062 126.636 120.570 0.008 0.000 2.378 127 I HA 0.408 4.578 4.170 -0.000 0.000 0.291 127 I C -0.515 175.765 176.117 0.271 0.000 0.992 127 I CA -0.368 60.986 61.300 0.091 0.000 1.154 127 I CB 1.511 39.641 38.000 0.215 0.000 1.315 127 I HN 0.495 nan 8.210 nan 0.000 0.448 128 F N 3.490 123.446 119.950 0.010 0.000 2.404 128 F HA 0.457 4.984 4.527 -0.000 0.000 0.345 128 F C 1.046 176.852 175.800 0.010 0.000 1.110 128 F CA -0.895 57.041 58.000 -0.107 0.000 1.130 128 F CB 1.721 40.647 39.000 -0.124 0.000 1.129 128 F HN 0.481 nan 8.300 nan 0.000 0.500 129 G N 5.077 113.851 108.800 -0.042 0.000 2.347 129 G HA2 0.605 4.565 3.960 -0.000 0.000 0.314 129 G HA3 0.605 4.565 3.960 -0.000 0.000 0.314 129 G C -0.968 174.049 174.900 0.194 0.000 1.126 129 G CA -0.460 44.732 45.100 0.154 0.000 0.929 129 G HN 0.591 nan 8.290 nan 0.000 0.441 130 I N 2.112 122.866 120.570 0.307 0.000 2.389 130 I HA 0.230 4.400 4.170 -0.000 0.000 0.288 130 I C -0.434 175.874 176.117 0.318 0.000 0.999 130 I CA -0.969 60.469 61.300 0.230 0.000 1.129 130 I CB 1.928 40.062 38.000 0.223 0.000 1.288 130 I HN 0.451 nan 8.210 nan 0.000 0.444 131 W N 9.652 130.985 121.300 0.054 0.000 2.295 131 W HA 0.157 4.817 4.660 -0.000 0.000 0.335 131 W C -1.929 174.550 176.519 -0.067 0.000 1.351 131 W CA -1.574 55.759 57.345 -0.020 0.000 1.273 131 W CB 0.416 29.858 29.460 -0.029 0.000 1.214 131 W HN 0.384 nan 8.180 nan 0.000 0.563 132 P HA -0.167 nan 4.420 nan 0.000 0.218 132 P C -1.297 175.649 177.300 -0.590 0.000 1.148 132 P CA 2.198 64.892 63.100 -0.675 0.000 0.822 132 P CB -0.578 30.226 31.700 -1.493 0.000 0.784 133 P HA -0.118 nan 4.420 nan 0.000 0.219 133 P C 1.294 178.471 177.300 -0.206 0.000 1.146 133 P CA 1.300 64.090 63.100 -0.516 0.000 0.808 133 P CB -0.375 30.831 31.700 -0.825 0.000 0.779 134 V N -5.944 113.929 119.914 -0.068 0.000 3.578 134 V HA 0.138 4.258 4.120 -0.000 0.000 0.290 134 V C 1.963 178.165 176.094 0.180 0.000 1.376 134 V CA -0.083 62.274 62.300 0.095 0.000 1.083 134 V CB -1.443 30.488 31.823 0.181 0.000 0.911 134 V HN -0.050 nan 8.190 nan 0.000 0.433 135 Y N 3.149 123.462 120.300 0.022 0.000 2.145 135 Y HA -0.220 4.330 4.550 -0.000 0.000 0.286 135 Y C 2.446 178.438 175.900 0.154 0.000 1.145 135 Y CA 2.570 60.725 58.100 0.091 0.000 1.148 135 Y CB -0.459 37.999 38.460 -0.003 0.000 0.981 135 Y HN 0.497 nan 8.280 nan 0.000 0.507 136 N N 0.690 119.398 118.700 0.013 0.000 2.043 136 N HA -0.250 4.490 4.740 -0.000 0.000 0.193 136 N C 2.008 177.489 175.510 -0.048 0.000 1.037 136 N CA 2.219 55.228 53.050 -0.069 0.000 0.851 136 N CB -0.697 37.802 38.487 0.020 0.000 1.027 136 N HN 0.659 nan 8.380 nan 0.000 0.422 137 I N -1.500 119.084 120.570 0.024 0.000 2.394 137 I HA -0.131 4.039 4.170 -0.000 0.000 0.251 137 I C 1.908 178.073 176.117 0.080 0.000 1.136 137 I CA 1.005 62.327 61.300 0.036 0.000 1.425 137 I CB -0.328 37.704 38.000 0.053 0.000 1.079 137 I HN 0.137 nan 8.210 nan 0.000 0.425 138 F N 1.449 121.423 119.950 0.041 0.000 2.102 138 F HA -0.237 4.290 4.527 -0.000 0.000 0.298 138 F C 2.343 178.220 175.800 0.129 0.000 1.105 138 F CA 1.897 59.998 58.000 0.168 0.000 1.239 138 F CB -0.185 38.921 39.000 0.177 0.000 0.991 138 F HN 0.015 nan 8.300 nan 0.000 0.474 139 M N 0.994 120.640 119.600 0.077 0.000 2.117 139 M HA -0.141 4.339 4.480 -0.000 0.000 0.262 139 M C 2.485 178.765 176.300 -0.034 0.000 1.065 139 M CA 2.156 57.459 55.300 0.005 0.000 1.114 139 M CB -1.867 30.615 32.600 -0.196 0.000 1.361 139 M HN 0.232 nan 8.290 nan 0.000 0.408 140 K N 0.821 121.169 120.400 -0.087 0.000 2.002 140 K HA -0.154 4.166 4.320 -0.000 0.000 0.209 140 K C 1.731 178.205 176.600 -0.210 0.000 1.048 140 K CA 1.912 58.131 56.287 -0.114 0.000 0.930 140 K CB -1.548 30.896 32.500 -0.094 0.000 0.714 140 K HN 0.403 nan 8.250 nan 0.000 0.438 141 N N -0.672 117.841 118.700 -0.313 0.000 2.104 141 N HA -0.143 4.597 4.740 -0.000 0.000 0.190 141 N C 1.719 176.745 175.510 -0.806 0.000 1.024 141 N CA 1.713 54.401 53.050 -0.604 0.000 0.853 141 N CB -0.526 37.478 38.487 -0.805 0.000 1.008 141 N HN 0.644 nan 8.380 nan 0.000 0.424 142 Y N 1.972 121.792 120.300 -0.799 0.000 2.114 142 Y HA -0.121 4.429 4.550 -0.000 0.000 0.284 142 Y C 2.127 177.872 175.900 -0.257 0.000 1.143 142 Y CA 1.639 59.443 58.100 -0.495 0.000 1.135 142 Y CB -0.250 38.114 38.460 -0.160 0.000 0.980 142 Y HN -0.079 nan 8.280 nan 0.000 0.499 143 K N -0.085 120.169 120.400 -0.244 0.000 2.074 143 K HA -0.205 4.115 4.320 -0.000 0.000 0.209 143 K C 1.344 177.785 176.600 -0.265 0.000 1.048 143 K CA 1.564 57.702 56.287 -0.248 0.000 0.926 143 K CB -0.332 32.111 32.500 -0.095 0.000 0.713 143 K HN 0.338 nan 8.250 nan 0.000 0.444 144 N N 0.002 118.549 118.700 -0.255 0.000 2.575 144 N HA -0.025 4.715 4.740 -0.000 0.000 0.192 144 N C 0.779 176.139 175.510 -0.249 0.000 1.200 144 N CA 0.983 53.898 53.050 -0.224 0.000 0.897 144 N CB 0.405 38.769 38.487 -0.205 0.000 0.990 144 N HN 0.432 nan 8.380 nan 0.000 0.449 145 G N -0.085 108.527 108.800 -0.314 0.000 2.166 145 G HA2 -0.433 3.526 3.960 -0.000 0.000 0.260 145 G HA3 -0.433 3.526 3.960 -0.000 0.000 0.260 145 G C 1.308 176.065 174.900 -0.239 0.000 0.986 145 G CA 1.146 46.091 45.100 -0.259 0.000 0.683 145 G HN 0.633 nan 8.290 nan 0.000 0.527 146 K N -0.699 119.473 120.400 -0.380 0.000 2.280 146 K HA 0.309 4.629 4.320 -0.000 0.000 0.202 146 K C 1.695 178.174 176.600 -0.202 0.000 1.047 146 K CA 1.892 57.960 56.287 -0.364 0.000 0.942 146 K CB -0.513 31.677 32.500 -0.518 0.000 0.739 146 K HN 0.610 nan 8.250 nan 0.000 0.457 147 F N 1.161 121.062 119.950 -0.083 0.000 2.695 147 F HA 0.177 4.704 4.527 -0.000 0.000 0.303 147 F C 1.260 177.103 175.800 0.071 0.000 1.091 147 F CA -0.984 56.986 58.000 -0.051 0.000 1.300 147 F CB 0.248 39.244 39.000 -0.006 0.000 1.071 147 F HN 0.148 nan 8.300 nan 0.000 0.578 148 D N 0.690 121.195 120.400 0.174 0.000 2.123 148 D HA -0.216 4.424 4.640 -0.000 0.000 0.196 148 D C 2.208 178.601 176.300 0.154 0.000 0.992 148 D CA 1.634 55.721 54.000 0.145 0.000 0.833 148 D CB -0.798 40.026 40.800 0.041 0.000 0.954 148 D HN 0.431 nan 8.370 nan 0.000 0.455 149 N N 1.438 120.209 118.700 0.118 0.000 2.142 149 N HA -0.155 4.585 4.740 -0.000 0.000 0.186 149 N C 1.571 177.175 175.510 0.157 0.000 1.023 149 N CA 1.520 54.634 53.050 0.106 0.000 0.852 149 N CB -0.568 37.958 38.487 0.065 0.000 0.998 149 N HN 0.094 nan 8.380 nan 0.000 0.424 150 D N -0.457 120.056 120.400 0.189 0.000 2.264 150 D HA 0.002 4.642 4.640 -0.000 0.000 0.208 150 D C 1.579 178.211 176.300 0.553 0.000 0.966 150 D CA 0.576 54.736 54.000 0.268 0.000 0.864 150 D CB -0.096 40.702 40.800 -0.004 0.000 0.933 150 D HN 0.568 nan 8.370 nan 0.000 0.499 151 M N 0.137 120.039 119.600 0.503 0.000 2.595 151 M HA 0.077 4.557 4.480 -0.000 0.000 0.248 151 M C 0.471 176.910 176.300 0.232 0.000 1.119 151 M CA 0.126 55.689 55.300 0.438 0.000 1.079 151 M CB 0.472 33.323 32.600 0.418 0.000 1.472 151 M HN -0.178 nan 8.290 nan 0.000 0.501 152 I N 1.344 122.031 120.570 0.196 0.000 2.505 152 I HA -0.098 4.072 4.170 -0.000 0.000 0.287 152 I C 1.169 177.350 176.117 0.106 0.000 1.104 152 I CA -0.399 60.976 61.300 0.124 0.000 1.387 152 I CB 0.585 38.645 38.000 0.101 0.000 1.404 152 I HN 0.164 nan 8.210 nan 0.000 0.528 153 I N 5.427 126.041 120.570 0.074 0.000 2.130 153 I HA -0.153 4.017 4.170 -0.000 0.000 0.234 153 I C 1.476 177.622 176.117 0.048 0.000 1.067 153 I CA 1.689 63.020 61.300 0.052 0.000 1.339 153 I CB -0.602 37.416 38.000 0.030 0.000 1.073 153 I HN 0.689 nan 8.210 nan 0.000 0.405 154 D N -1.008 119.416 120.400 0.041 0.000 2.563 154 D HA 0.122 4.762 4.640 -0.000 0.000 0.256 154 D C 1.076 177.395 176.300 0.032 0.000 1.400 154 D CA 0.859 54.880 54.000 0.034 0.000 0.800 154 D CB 0.329 41.145 40.800 0.026 0.000 1.145 154 D HN 0.256 nan 8.370 nan 0.000 0.501 155 K N -0.519 119.903 120.400 0.037 0.000 3.572 155 K HA -0.352 3.968 4.320 -0.000 0.000 0.306 155 K C 1.195 177.811 176.600 0.026 0.000 1.286 155 K CA 2.856 59.163 56.287 0.033 0.000 1.010 155 K CB -2.886 29.631 32.500 0.029 0.000 1.268 155 K HN 0.609 nan 8.250 nan 0.000 0.438 156 D N -0.759 119.655 120.400 0.025 0.000 2.162 156 D HA 0.453 5.093 4.640 -0.000 0.000 0.205 156 D C 1.336 177.649 176.300 0.022 0.000 0.964 156 D CA 2.563 56.575 54.000 0.021 0.000 0.847 156 D CB -0.159 nan 40.800 nan 0.000 0.988 156 D HN 1.605 nan 8.370 nan 0.000 0.480 157 K N -1.217 119.199 120.400 0.026 0.000 2.385 157 K HA 0.795 5.115 4.320 -0.000 0.000 0.248 157 K C -0.374 176.249 176.600 0.037 0.000 0.955 157 K CA -0.056 56.247 56.287 0.027 0.000 0.816 157 K CB 1.322 33.834 32.500 0.020 0.000 1.250 157 K HN 0.906 nan 8.250 nan 0.000 0.434 158 K N 1.299 121.724 120.400 0.040 0.000 2.385 158 K HA 0.815 5.135 4.320 -0.000 0.000 0.248 158 K C 0.064 176.691 176.600 0.047 0.000 0.955 158 K CA -0.500 55.822 56.287 0.059 0.000 0.816 158 K CB 1.578 34.121 32.500 0.073 0.000 1.250 158 K HN 1.012 nan 8.250 nan 0.000 0.434 159 M N 2.225 121.857 119.600 0.053 0.000 2.250 159 M HA 0.107 4.587 4.480 -0.000 0.000 0.337 159 M C -0.744 175.571 176.300 0.024 0.000 1.161 159 M CA 0.342 55.647 55.300 0.008 0.000 1.088 159 M CB 0.278 32.855 32.600 -0.039 0.000 1.639 159 M HN 0.713 nan 8.290 nan 0.000 0.447 160 N N 5.835 124.525 118.700 -0.017 0.000 2.407 160 N HA 0.460 5.200 4.740 -0.000 0.000 0.277 160 N C -1.439 174.021 175.510 -0.085 0.000 0.995 160 N CA -0.268 52.772 53.050 -0.017 0.000 0.903 160 N CB 1.446 39.924 38.487 -0.015 0.000 1.218 160 N HN 0.629 nan 8.380 nan 0.000 0.487 161 I N 2.757 123.262 120.570 -0.109 0.000 2.330 161 I HA 0.109 4.279 4.170 -0.000 0.000 0.289 161 I C 1.431 177.430 176.117 -0.196 0.000 1.001 161 I CA -0.539 60.595 61.300 -0.277 0.000 1.193 161 I CB 1.706 39.420 38.000 -0.477 0.000 1.345 161 I HN 0.331 nan 8.210 nan 0.000 0.461 162 L N 4.996 126.093 121.223 -0.210 0.000 2.056 162 L HA 0.121 4.461 4.340 -0.000 0.000 0.207 162 L C 0.298 177.100 176.870 -0.112 0.000 1.078 162 L CA 2.084 56.820 54.840 -0.173 0.000 0.749 162 L CB -0.159 41.720 42.059 -0.300 0.000 0.901 162 L HN 0.640 nan 8.230 nan 0.000 0.433 163 D N -1.968 118.346 120.400 -0.143 0.000 2.653 163 D HA 0.406 5.046 4.640 -0.000 0.000 0.258 163 D C -1.424 174.862 176.300 -0.024 0.000 1.252 163 D CA -0.300 53.699 54.000 -0.002 0.000 0.777 163 D CB 1.408 42.294 40.800 0.144 0.000 1.339 163 D HN -0.030 nan 8.370 nan 0.000 0.422 164 M N 2.101 121.769 119.600 0.113 0.000 2.149 164 M HA 0.379 4.859 4.480 -0.000 0.000 0.273 164 M C -1.603 174.907 176.300 0.351 0.000 0.972 164 M CA -0.598 54.832 55.300 0.217 0.000 0.984 164 M CB 1.838 34.557 32.600 0.199 0.000 1.699 164 M HN 0.080 nan 8.290 nan 0.000 0.462 165 L N 5.772 127.213 121.223 0.364 0.000 2.386 165 L HA 0.708 5.048 4.340 -0.000 0.000 0.271 165 L C -2.213 174.781 176.870 0.207 0.000 0.993 165 L CA -2.115 52.896 54.840 0.285 0.000 0.819 165 L CB 1.873 44.101 42.059 0.281 0.000 1.294 165 L HN 0.358 nan 8.230 nan 0.000 0.414 166 P HA 0.192 nan 4.420 nan 0.000 0.268 166 P C -1.146 176.304 177.300 0.249 0.000 1.204 166 P CA 0.025 62.973 63.100 -0.253 0.000 0.768 166 P CB 0.619 31.957 31.700 -0.602 0.000 0.842 167 F N 2.593 122.625 119.950 0.137 0.000 2.605 167 F HA 0.385 4.912 4.527 -0.000 0.000 0.320 167 F C -1.910 174.109 175.800 0.365 0.000 1.159 167 F CA -0.889 57.291 58.000 0.300 0.000 0.999 167 F CB 1.760 40.972 39.000 0.352 0.000 1.258 167 F HN 0.112 nan 8.300 nan 0.000 0.464 168 D N 4.537 124.812 120.400 -0.207 0.000 2.505 168 D HA 0.487 5.127 4.640 -0.000 0.000 0.250 168 D C 0.189 176.221 176.300 -0.446 0.000 1.164 168 D CA -0.036 53.910 54.000 -0.089 0.000 0.870 168 D CB 2.102 43.210 40.800 0.512 0.000 1.160 168 D HN 0.706 nan 8.370 nan 0.000 0.549 169 A N 2.496 124.887 122.820 -0.715 0.000 2.235 169 A HA 0.008 4.328 4.320 -0.000 0.000 0.208 169 A C 1.795 179.257 177.584 -0.203 0.000 1.172 169 A CA 0.474 52.244 52.037 -0.444 0.000 0.786 169 A CB -0.009 18.815 19.000 -0.294 0.000 0.804 169 A HN 0.459 nan 8.150 nan 0.000 0.479 170 S N -0.510 114.999 115.700 -0.319 0.000 2.453 170 S HA 0.102 4.572 4.470 -0.000 0.000 0.231 170 S C -0.135 174.138 174.600 -0.544 0.000 1.005 170 S CA 0.529 58.427 58.200 -0.504 0.000 0.949 170 S CB -0.225 62.430 63.200 -0.909 0.000 0.774 170 S HN 0.488 nan 8.310 nan 0.000 0.510 171 F N 1.758 121.757 119.950 0.082 0.000 2.449 171 F HA 0.419 4.946 4.527 -0.000 0.000 0.342 171 F C 0.773 176.614 175.800 0.068 0.000 1.127 171 F CA -1.830 56.218 58.000 0.079 0.000 0.975 171 F CB 1.100 40.153 39.000 0.089 0.000 1.146 171 F HN -0.126 nan 8.300 nan 0.000 0.444 172 D N 0.535 121.085 120.400 0.251 0.000 2.103 172 D HA -0.036 4.604 4.640 -0.000 0.000 0.199 172 D C 1.020 177.265 176.300 -0.091 0.000 0.978 172 D CA 1.512 55.600 54.000 0.146 0.000 0.829 172 D CB 0.197 41.174 40.800 0.295 0.000 0.981 172 D HN 0.565 nan 8.370 nan 0.000 0.464 173 T N -3.896 110.648 114.554 -0.017 0.000 2.883 173 T HA 0.612 4.962 4.350 -0.000 0.000 0.296 173 T C 1.032 175.688 174.700 -0.073 0.000 1.117 173 T CA -0.232 61.804 62.100 -0.106 0.000 1.006 173 T CB 2.118 70.944 68.868 -0.069 0.000 1.191 173 T HN -0.078 nan 8.240 nan 0.000 0.508 174 A N 1.642 124.383 122.820 -0.133 0.000 1.940 174 A HA -0.192 4.128 4.320 -0.000 0.000 0.221 174 A C 2.072 179.577 177.584 -0.133 0.000 1.190 174 A CA 2.173 54.107 52.037 -0.172 0.000 0.647 174 A CB -1.285 17.620 19.000 -0.159 0.000 0.821 174 A HN 0.844 nan 8.150 nan 0.000 0.457 175 N N 0.374 119.030 118.700 -0.073 0.000 2.453 175 N HA -0.093 4.647 4.740 -0.000 0.000 0.183 175 N C 0.671 176.166 175.510 -0.025 0.000 1.041 175 N CA 1.235 54.258 53.050 -0.044 0.000 0.900 175 N CB -0.336 38.143 38.487 -0.014 0.000 0.961 175 N HN 0.522 nan 8.380 nan 0.000 0.443 176 D N 0.422 120.823 120.400 0.002 0.000 2.347 176 D HA 0.055 4.695 4.640 -0.000 0.000 0.213 176 D C 0.514 176.826 176.300 0.019 0.000 0.985 176 D CA 0.156 54.207 54.000 0.085 0.000 0.879 176 D CB 0.579 41.515 40.800 0.226 0.000 0.919 176 D HN 0.297 nan 8.370 nan 0.000 0.526 177 I N 3.872 124.289 120.570 -0.254 0.000 2.436 177 I HA -0.025 4.145 4.170 -0.000 0.000 0.289 177 I C 0.812 176.756 176.117 -0.288 0.000 1.083 177 I CA -0.549 60.375 61.300 -0.626 0.000 1.372 177 I CB 0.455 38.029 38.000 -0.710 0.000 1.408 177 I HN -0.103 nan 8.210 nan 0.000 0.516 178 D N 5.853 126.146 120.400 -0.177 0.000 2.423 178 D HA -0.099 4.541 4.640 -0.000 0.000 0.238 178 D C 0.747 176.983 176.300 -0.106 0.000 1.142 178 D CA -0.260 53.694 54.000 -0.076 0.000 0.884 178 D CB 1.324 42.124 40.800 -0.001 0.000 1.199 178 D HN 0.710 nan 8.370 nan 0.000 0.438 179 E N 0.979 121.139 120.200 -0.066 0.000 2.097 179 E HA -0.311 4.039 4.350 -0.000 0.000 0.196 179 E C 1.684 178.250 176.600 -0.057 0.000 1.000 179 E CA 1.407 57.773 56.400 -0.057 0.000 0.804 179 E CB 0.046 29.725 29.700 -0.035 0.000 0.740 179 E HN 0.682 nan 8.360 nan 0.000 0.454 180 E N -0.534 119.636 120.200 -0.051 0.000 2.038 180 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 180 E C 1.959 178.506 176.600 -0.087 0.000 1.000 180 E CA 2.006 58.376 56.400 -0.050 0.000 0.803 180 E CB -0.052 29.627 29.700 -0.034 0.000 0.750 180 E HN 0.266 nan 8.360 nan 0.000 0.448 181 T N 1.088 115.557 114.554 -0.142 0.000 2.684 181 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 181 T C 1.803 176.358 174.700 -0.242 0.000 1.036 181 T CA 1.322 63.243 62.100 -0.298 0.000 1.148 181 T CB -0.187 68.463 68.868 -0.363 0.000 0.863 181 T HN 0.153 nan 8.240 nan 0.000 0.436 182 K N 0.864 121.179 120.400 -0.141 0.000 2.127 182 K HA -0.117 4.203 4.320 -0.000 0.000 0.208 182 K C 1.698 178.316 176.600 0.030 0.000 1.047 182 K CA 1.228 57.506 56.287 -0.014 0.000 0.927 182 K CB -0.093 32.383 32.500 -0.041 0.000 0.716 182 K HN 0.274 nan 8.250 nan 0.000 0.450 183 N N 0.758 119.455 118.700 -0.006 0.000 2.280 183 N HA -0.068 4.672 4.740 -0.000 0.000 0.192 183 N C 0.252 175.775 175.510 0.022 0.000 1.109 183 N CA -0.011 53.047 53.050 0.013 0.000 0.855 183 N CB -0.015 38.471 38.487 -0.001 0.000 0.974 183 N HN 0.263 nan 8.380 nan 0.000 0.482 184 N N 2.231 120.941 118.700 0.016 0.000 2.441 184 N HA -0.072 4.668 4.740 -0.000 0.000 0.251 184 N C 1.137 176.694 175.510 0.078 0.000 1.242 184 N CA 0.216 53.288 53.050 0.035 0.000 0.898 184 N CB 1.181 39.674 38.487 0.010 0.000 1.100 184 N HN -0.004 nan 8.380 nan 0.000 0.443 185 K N 2.920 123.352 120.400 0.053 0.000 2.089 185 K HA -0.177 4.142 4.320 -0.000 0.000 0.210 185 K C 1.404 178.029 176.600 0.041 0.000 1.048 185 K CA 1.468 57.779 56.287 0.040 0.000 0.926 185 K CB 0.098 32.612 32.500 0.023 0.000 0.714 185 K HN 0.595 nan 8.250 nan 0.000 0.448 186 R N -1.281 119.251 120.500 0.054 0.000 2.240 186 R HA -0.046 4.294 4.340 -0.000 0.000 0.203 186 R C 1.695 177.910 176.300 -0.142 0.000 1.011 186 R CA 0.701 56.776 56.100 -0.042 0.000 1.007 186 R CB 0.047 30.279 30.300 -0.114 0.000 0.911 186 R HN 0.299 nan 8.270 nan 0.000 0.468 187 Y N 0.150 120.367 120.300 -0.138 0.000 2.509 187 Y HA 0.055 4.605 4.550 -0.000 0.000 0.270 187 Y C 2.018 177.872 175.900 -0.078 0.000 1.103 187 Y CA 0.131 58.108 58.100 -0.205 0.000 1.278 187 Y CB -0.186 38.142 38.460 -0.219 0.000 1.087 187 Y HN 0.013 nan 8.280 nan 0.000 0.542 188 N N 1.127 119.898 118.700 0.118 0.000 2.149 188 N HA -0.187 4.553 4.740 -0.000 0.000 0.188 188 N C 1.763 177.323 175.510 0.082 0.000 1.019 188 N CA 1.848 54.955 53.050 0.095 0.000 0.857 188 N CB -0.213 38.312 38.487 0.063 0.000 0.997 188 N HN 0.348 nan 8.380 nan 0.000 0.426 189 M N -0.589 119.047 119.600 0.059 0.000 2.563 189 M HA 0.186 4.666 4.480 -0.000 0.000 0.231 189 M C -0.868 175.473 176.300 0.069 0.000 1.136 189 M CA 0.385 55.722 55.300 0.061 0.000 1.026 189 M CB -0.036 32.598 32.600 0.057 0.000 1.597 189 M HN -0.082 nan 8.290 nan 0.000 0.495 190 L N 1.072 122.341 121.223 0.075 0.000 2.333 190 L HA 0.581 4.921 4.340 -0.000 0.000 0.269 190 L C -0.488 176.554 176.870 0.287 0.000 1.010 190 L CA -0.730 54.164 54.840 0.089 0.000 0.818 190 L CB 2.185 44.166 42.059 -0.129 0.000 1.306 190 L HN 0.235 nan 8.230 nan 0.000 0.430 191 Q N 0.837 120.787 119.800 0.249 0.000 2.495 191 Q HA 0.386 4.726 4.340 -0.000 0.000 0.287 191 Q C -0.805 175.235 176.000 0.066 0.000 1.078 191 Q CA -1.003 54.882 55.803 0.135 0.000 0.793 191 Q CB 2.107 30.874 28.738 0.049 0.000 1.459 191 Q HN 0.563 nan 8.270 nan 0.000 0.422 192 N N 0.566 119.177 118.700 -0.148 0.000 2.740 192 N HA -0.209 4.531 4.740 -0.000 0.000 0.248 192 N C -0.415 175.091 175.510 -0.007 0.000 1.062 192 N CA 1.224 54.204 53.050 -0.116 0.000 0.704 192 N CB -1.223 37.243 38.487 -0.036 0.000 0.968 192 N HN 0.644 nan 8.380 nan 0.000 0.547 193 Y N -1.882 118.466 120.300 0.080 0.000 2.467 193 Y HA 0.266 4.816 4.550 -0.000 0.000 0.250 193 Y C 1.375 177.415 175.900 0.232 0.000 1.155 193 Y CA -0.073 58.124 58.100 0.161 0.000 1.249 193 Y CB -0.379 38.141 38.460 0.099 0.000 1.146 193 Y HN 0.092 nan 8.280 nan 0.000 0.524 194 T N -1.889 112.702 114.554 0.061 0.000 2.788 194 T HA 0.239 4.589 4.350 -0.000 0.000 0.287 194 T C 1.267 176.104 174.700 0.228 0.000 1.007 194 T CA -0.320 61.875 62.100 0.158 0.000 1.005 194 T CB 0.977 69.842 68.868 -0.005 0.000 1.012 194 T HN 0.272 nan 8.240 nan 0.000 0.530 195 I N 0.352 121.061 120.570 0.231 0.000 2.179 195 I HA -0.118 4.052 4.170 -0.000 0.000 0.242 195 I C 2.938 179.054 176.117 -0.001 0.000 1.088 195 I CA 1.833 63.340 61.300 0.345 0.000 1.357 195 I CB -0.449 37.763 38.000 0.353 0.000 1.051 195 I HN 0.892 nan 8.210 nan 0.000 0.409 196 E N 1.024 120.976 120.200 -0.413 0.000 2.077 196 E HA -0.268 4.082 4.350 -0.000 0.000 0.193 196 E C 1.627 178.073 176.600 -0.256 0.000 0.989 196 E CA 1.667 57.734 56.400 -0.554 0.000 0.800 196 E CB 0.034 29.246 29.700 -0.813 0.000 0.746 196 E HN 0.433 nan 8.360 nan 0.000 0.452 197 D N 0.042 120.340 120.400 -0.170 0.000 2.178 197 D HA -0.122 4.518 4.640 -0.000 0.000 0.202 197 D C 2.053 178.297 176.300 -0.093 0.000 0.974 197 D CA 0.821 54.748 54.000 -0.121 0.000 0.841 197 D CB 0.007 40.733 40.800 -0.124 0.000 0.953 197 D HN 0.146 nan 8.370 nan 0.000 0.478 198 V N 1.386 121.274 119.914 -0.043 0.000 2.453 198 V HA -0.134 3.986 4.120 -0.000 0.000 0.247 198 V C 2.540 178.469 176.094 -0.276 0.000 1.048 198 V CA 1.413 63.673 62.300 -0.066 0.000 1.049 198 V CB -0.613 31.247 31.823 0.063 0.000 0.672 198 V HN 0.144 nan 8.190 nan 0.000 0.457 199 A N 0.690 123.228 122.820 -0.470 0.000 1.883 199 A HA -0.289 4.031 4.320 -0.000 0.000 0.217 199 A C 2.051 179.402 177.584 -0.388 0.000 1.186 199 A CA 2.423 53.950 52.037 -0.851 0.000 0.624 199 A CB -0.889 17.493 19.000 -1.029 0.000 0.822 199 A HN 0.676 nan 8.150 nan 0.000 0.444 200 N N -0.583 117.977 118.700 -0.234 0.000 2.069 200 N HA -0.169 4.571 4.740 -0.000 0.000 0.191 200 N C 1.695 177.168 175.510 -0.061 0.000 1.031 200 N CA 1.308 54.298 53.050 -0.101 0.000 0.852 200 N CB -0.251 38.186 38.487 -0.083 0.000 1.018 200 N HN 0.376 nan 8.380 nan 0.000 0.423 201 L N 1.552 122.724 121.223 -0.085 0.000 2.012 201 L HA -0.101 4.239 4.340 -0.000 0.000 0.210 201 L C 1.851 178.688 176.870 -0.056 0.000 1.073 201 L CA 1.434 56.236 54.840 -0.064 0.000 0.748 201 L CB -0.544 41.492 42.059 -0.039 0.000 0.891 201 L HN 0.208 nan 8.230 nan 0.000 0.431 202 I N -1.195 119.348 120.570 -0.045 0.000 2.179 202 I HA -0.351 3.819 4.170 -0.000 0.000 0.242 202 I C 2.540 178.701 176.117 0.073 0.000 1.088 202 I CA 1.607 62.946 61.300 0.065 0.000 1.357 202 I CB -0.423 37.584 38.000 0.012 0.000 1.051 202 I HN 0.448 nan 8.210 nan 0.000 0.409 203 H N 0.945 119.965 119.070 -0.083 0.000 2.319 203 H HA -0.220 4.336 4.556 -0.000 0.000 0.299 203 H C 2.296 177.582 175.328 -0.070 0.000 1.092 203 H CA 2.663 58.671 56.048 -0.066 0.000 1.302 203 H CB -0.351 29.350 29.762 -0.102 0.000 1.373 203 H HN 0.358 nan 8.280 nan 0.000 0.497 204 Q N 1.093 120.786 119.800 -0.179 0.000 2.084 204 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 204 Q C 2.407 178.237 176.000 -0.284 0.000 0.978 204 Q CA 2.036 57.699 55.803 -0.235 0.000 0.844 204 Q CB -0.539 28.116 28.738 -0.138 0.000 0.898 204 Q HN 0.660 nan 8.270 nan 0.000 0.426 205 K N -1.750 118.437 120.400 -0.355 0.000 2.167 205 K HA 0.037 4.357 4.320 -0.000 0.000 0.203 205 K C 1.025 177.184 176.600 -0.736 0.000 1.052 205 K CA 1.397 57.292 56.287 -0.653 0.000 0.956 205 K CB 0.194 32.055 32.500 -1.064 0.000 0.735 205 K HN 0.712 nan 8.250 nan 0.000 0.451 206 Y N -1.005 119.252 120.300 -0.072 0.000 2.610 206 Y HA 0.247 4.797 4.550 -0.000 0.000 0.254 206 Y C 0.819 176.684 175.900 -0.058 0.000 1.110 206 Y CA -0.314 57.758 58.100 -0.046 0.000 1.238 206 Y CB 1.249 39.704 38.460 -0.008 0.000 1.322 206 Y HN 0.117 nan 8.280 nan 0.000 0.547 207 G N 1.643 110.417 108.800 -0.044 0.000 2.645 207 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.246 207 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.246 207 G C -0.416 174.587 174.900 0.173 0.000 1.322 207 G CA -0.668 44.392 45.100 -0.066 0.000 0.898 207 G HN 0.192 nan 8.290 nan 0.000 0.573 208 K N 0.272 120.804 120.400 0.219 0.000 2.382 208 K HA 0.411 4.731 4.320 -0.000 0.000 0.275 208 K C 1.037 177.717 176.600 0.133 0.000 1.009 208 K CA 0.675 57.078 56.287 0.195 0.000 0.970 208 K CB 0.479 33.060 32.500 0.136 0.000 0.934 208 K HN 0.651 nan 8.250 nan 0.000 0.479 209 I N -0.656 119.988 120.570 0.123 0.000 3.100 209 I HA 0.349 4.519 4.170 -0.000 0.000 0.312 209 I C 0.373 176.537 176.117 0.079 0.000 1.063 209 I CA -0.832 60.531 61.300 0.105 0.000 1.031 209 I CB 1.662 39.746 38.000 0.140 0.000 1.243 209 I HN 0.587 nan 8.210 nan 0.000 0.483 210 N N 1.759 120.494 118.700 0.058 0.000 2.118 210 N HA 0.295 5.035 4.740 -0.000 0.000 0.226 210 N C -0.700 174.821 175.510 0.019 0.000 1.305 210 N CA -0.168 52.903 53.050 0.035 0.000 0.890 210 N CB 0.644 39.144 38.487 0.022 0.000 1.118 210 N HN 0.724 nan 8.380 nan 0.000 0.511 211 M N 0.979 120.594 119.600 0.026 0.000 2.378 211 M HA 0.445 4.925 4.480 -0.000 0.000 0.289 211 M C -1.991 174.311 176.300 0.004 0.000 1.136 211 M CA -0.829 54.471 55.300 -0.000 0.000 0.917 211 M CB 3.124 35.715 32.600 -0.014 0.000 1.669 211 M HN -0.022 nan 8.290 nan 0.000 0.461 212 L N 3.375 124.576 121.223 -0.037 0.000 2.438 212 L HA 0.778 5.118 4.340 -0.000 0.000 0.270 212 L C -1.773 175.029 176.870 -0.113 0.000 0.972 212 L CA -0.500 54.289 54.840 -0.086 0.000 0.831 212 L CB 2.232 44.221 42.059 -0.117 0.000 1.273 212 L HN 0.522 nan 8.230 nan 0.000 0.405 213 V N 4.535 124.347 119.914 -0.169 0.000 2.444 213 V HA 0.381 4.501 4.120 -0.000 0.000 0.294 213 V C -0.683 175.306 176.094 -0.174 0.000 1.022 213 V CA -0.606 61.602 62.300 -0.154 0.000 0.850 213 V CB 1.368 33.089 31.823 -0.170 0.000 0.992 213 V HN 0.759 nan 8.190 nan 0.000 0.426 214 H N 4.445 123.409 119.070 -0.178 0.000 2.690 214 H HA 0.390 4.946 4.556 -0.000 0.000 0.289 214 H C -0.029 175.226 175.328 -0.122 0.000 1.089 214 H CA -0.073 55.889 56.048 -0.143 0.000 1.299 214 H CB 1.478 31.179 29.762 -0.101 0.000 1.405 214 H HN 0.653 nan 8.280 nan 0.000 0.463 215 S N 6.091 121.658 115.700 -0.222 0.000 2.474 215 S HA 0.318 4.788 4.470 -0.000 0.000 0.224 215 S C -0.451 174.033 174.600 -0.192 0.000 1.209 215 S CA -0.799 57.324 58.200 -0.129 0.000 1.212 215 S CB -0.619 62.516 63.200 -0.109 0.000 1.137 215 S HN 0.472 nan 8.310 nan 0.000 0.446 216 L N -2.429 118.608 121.223 -0.310 0.000 2.376 216 L HA 1.128 5.468 4.340 -0.000 0.000 0.258 216 L C -0.718 176.052 176.870 -0.166 0.000 1.013 216 L CA -1.173 53.493 54.840 -0.291 0.000 0.822 216 L CB 1.285 43.103 42.059 -0.402 0.000 1.388 216 L HN 0.261 nan 8.230 nan 0.000 0.413 217 A N 1.070 123.785 122.820 -0.175 0.000 2.608 217 A HA 0.846 5.166 4.320 -0.000 0.000 0.292 217 A C -1.580 175.878 177.584 -0.210 0.000 1.066 217 A CA -0.477 51.489 52.037 -0.118 0.000 0.676 217 A CB 1.495 20.475 19.000 -0.034 0.000 1.277 217 A HN 0.943 nan 8.150 nan 0.000 0.413 218 N N -1.360 117.225 118.700 -0.193 0.000 2.745 218 N HA 0.677 5.417 4.740 -0.000 0.000 0.256 218 N C -1.373 174.043 175.510 -0.157 0.000 1.268 218 N CA 0.090 53.015 53.050 -0.208 0.000 0.887 218 N CB 2.152 40.453 38.487 -0.310 0.000 1.575 218 N HN 1.566 nan 8.380 nan 0.000 0.496 219 A N 1.527 124.267 122.820 -0.134 0.000 2.512 219 A HA 0.262 4.582 4.320 -0.000 0.000 0.290 219 A C 0.081 177.616 177.584 -0.081 0.000 1.041 219 A CA -0.544 51.422 52.037 -0.118 0.000 0.911 219 A CB 0.933 19.835 19.000 -0.163 0.000 1.407 219 A HN 0.738 nan 8.150 nan 0.000 0.398 220 K N 0.801 121.172 120.400 -0.047 0.000 2.103 220 K HA -0.142 4.178 4.320 -0.000 0.000 0.207 220 K C 0.558 177.142 176.600 -0.027 0.000 1.048 220 K CA 1.918 58.193 56.287 -0.019 0.000 0.930 220 K CB 0.165 32.664 32.500 -0.001 0.000 0.716 220 K HN 0.789 nan 8.250 nan 0.000 0.444 221 E N 0.476 120.653 120.200 -0.038 0.000 2.496 221 E HA 0.004 4.354 4.350 -0.000 0.000 0.202 221 E C 0.879 177.438 176.600 -0.068 0.000 1.021 221 E CA -0.186 56.192 56.400 -0.036 0.000 1.015 221 E CB 0.765 30.458 29.700 -0.013 0.000 1.102 221 E HN -0.010 nan 8.360 nan 0.000 0.452 222 V N 0.917 120.768 119.914 -0.105 0.000 2.546 222 V HA -0.335 3.785 4.120 -0.000 0.000 0.254 222 V C 1.727 177.728 176.094 -0.155 0.000 1.076 222 V CA 2.066 64.263 62.300 -0.171 0.000 1.087 222 V CB -0.090 31.603 31.823 -0.216 0.000 0.674 222 V HN 0.394 nan 8.190 nan 0.000 0.470 223 Q N -0.602 119.138 119.800 -0.099 0.000 2.472 223 Q HA 0.049 4.389 4.340 -0.000 0.000 0.208 223 Q C 0.521 176.488 176.000 -0.055 0.000 0.958 223 Q CA 0.448 56.205 55.803 -0.076 0.000 0.932 223 Q CB 0.172 28.884 28.738 -0.044 0.000 1.007 223 Q HN 0.582 nan 8.270 nan 0.000 0.508 224 K N 1.219 121.589 120.400 -0.050 0.000 2.110 224 K HA 0.175 4.495 4.320 -0.000 0.000 0.263 224 K C -0.717 175.868 176.600 -0.025 0.000 0.975 224 K CA -0.754 55.517 56.287 -0.028 0.000 0.895 224 K CB 0.970 33.461 32.500 -0.016 0.000 1.060 224 K HN -0.085 nan 8.250 nan 0.000 0.448 225 D N 1.666 122.060 120.400 -0.010 0.000 2.419 225 D HA -0.086 4.554 4.640 -0.000 0.000 0.236 225 D C 1.213 177.519 176.300 0.011 0.000 1.165 225 D CA -0.081 53.920 54.000 0.003 0.000 0.882 225 D CB 0.654 41.458 40.800 0.007 0.000 1.201 225 D HN 0.290 nan 8.370 nan 0.000 0.443 226 L N 2.148 123.387 121.223 0.027 0.000 2.013 226 L HA -0.187 4.153 4.340 -0.000 0.000 0.212 226 L C 2.089 178.971 176.870 0.019 0.000 1.073 226 L CA 1.630 56.498 54.840 0.046 0.000 0.753 226 L CB -0.415 41.682 42.059 0.064 0.000 0.890 226 L HN 0.508 nan 8.230 nan 0.000 0.432 227 L N -0.576 120.651 121.223 0.006 0.000 2.191 227 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 227 L C 1.347 178.210 176.870 -0.012 0.000 1.103 227 L CA 1.081 55.915 54.840 -0.009 0.000 0.769 227 L CB -0.389 41.667 42.059 -0.006 0.000 0.908 227 L HN 0.474 nan 8.230 nan 0.000 0.438 228 N N -1.009 117.689 118.700 -0.004 0.000 2.230 228 N HA 0.047 4.787 4.740 -0.000 0.000 0.202 228 N C 0.006 175.516 175.510 -0.001 0.000 1.119 228 N CA 0.130 53.177 53.050 -0.005 0.000 0.851 228 N CB 0.500 38.985 38.487 -0.003 0.000 0.990 228 N HN 0.135 nan 8.380 nan 0.000 0.497 229 T N 0.994 115.552 114.554 0.007 0.000 2.869 229 T HA 0.186 4.536 4.350 -0.000 0.000 0.295 229 T C 0.864 175.572 174.700 0.014 0.000 0.987 229 T CA -0.450 61.665 62.100 0.026 0.000 1.109 229 T CB 1.308 70.220 68.868 0.074 0.000 0.932 229 T HN 0.148 nan 8.240 nan 0.000 0.518 230 S N 2.918 118.631 115.700 0.022 0.000 2.632 230 S HA 0.294 4.764 4.470 -0.000 0.000 0.267 230 S C 1.409 176.027 174.600 0.029 0.000 1.276 230 S CA -0.920 57.287 58.200 0.012 0.000 0.998 230 S CB 1.038 64.246 63.200 0.013 0.000 0.953 230 S HN 0.770 nan 8.310 nan 0.000 0.547 231 R N 1.002 121.506 120.500 0.006 0.000 2.094 231 R HA -0.158 4.182 4.340 -0.000 0.000 0.239 231 R C 2.641 178.986 176.300 0.075 0.000 1.137 231 R CA 2.271 58.384 56.100 0.023 0.000 0.943 231 R CB -1.221 29.078 30.300 -0.002 0.000 0.850 231 R HN 0.836 nan 8.270 nan 0.000 0.433 232 K N -0.129 120.300 120.400 0.047 0.000 2.032 232 K HA -0.090 4.230 4.320 -0.000 0.000 0.209 232 K C 2.197 178.828 176.600 0.052 0.000 1.048 232 K CA 1.849 58.162 56.287 0.043 0.000 0.927 232 K CB -1.794 30.720 32.500 0.024 0.000 0.712 232 K HN 0.600 nan 8.250 nan 0.000 0.441 233 G N -1.035 107.798 108.800 0.056 0.000 2.402 233 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 233 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 233 G C 1.707 176.649 174.900 0.069 0.000 1.162 233 G CA 1.110 46.237 45.100 0.045 0.000 0.777 233 G HN 0.654 nan 8.290 nan 0.000 0.539 234 Y N 1.004 121.288 120.300 -0.028 0.000 2.145 234 Y HA -0.041 4.509 4.550 -0.000 0.000 0.286 234 Y C 2.617 178.504 175.900 -0.022 0.000 1.145 234 Y CA 1.393 59.477 58.100 -0.026 0.000 1.148 234 Y CB -0.110 38.339 38.460 -0.019 0.000 0.981 234 Y HN 0.090 nan 8.280 nan 0.000 0.507 235 L N -0.233 121.078 121.223 0.147 0.000 2.093 235 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 235 L C 2.111 178.964 176.870 -0.028 0.000 1.085 235 L CA 1.679 56.548 54.840 0.048 0.000 0.755 235 L CB -0.647 41.456 42.059 0.074 0.000 0.904 235 L HN 0.249 nan 8.230 nan 0.000 0.435 236 D N 0.231 120.618 120.400 -0.021 0.000 2.123 236 D HA -0.213 4.427 4.640 -0.000 0.000 0.196 236 D C 2.166 178.416 176.300 -0.084 0.000 0.992 236 D CA 1.501 55.474 54.000 -0.045 0.000 0.833 236 D CB 0.156 40.938 40.800 -0.030 0.000 0.954 236 D HN 0.262 nan 8.370 nan 0.000 0.455 237 A N 0.165 122.913 122.820 -0.121 0.000 1.902 237 A HA -0.110 4.209 4.320 -0.000 0.000 0.217 237 A C 2.230 179.719 177.584 -0.159 0.000 1.181 237 A CA 0.934 52.874 52.037 -0.162 0.000 0.623 237 A CB -0.675 18.193 19.000 -0.221 0.000 0.818 237 A HN 0.338 nan 8.150 nan 0.000 0.443 238 L N -0.462 120.643 121.223 -0.196 0.000 2.093 238 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 238 L C 2.825 179.680 176.870 -0.026 0.000 1.085 238 L CA 2.076 56.834 54.840 -0.137 0.000 0.755 238 L CB -1.322 40.636 42.059 -0.168 0.000 0.904 238 L HN 0.527 nan 8.230 nan 0.000 0.435 239 S N -0.347 115.339 115.700 -0.024 0.000 2.348 239 S HA -0.156 4.314 4.470 -0.000 0.000 0.221 239 S C 1.939 176.564 174.600 0.042 0.000 1.033 239 S CA 1.225 59.442 58.200 0.028 0.000 1.010 239 S CB 0.147 63.331 63.200 -0.028 0.000 0.891 239 S HN 0.280 nan 8.310 nan 0.000 0.442 240 K N 0.971 121.352 120.400 -0.033 0.000 2.186 240 K HA 0.251 4.571 4.320 -0.000 0.000 0.202 240 K C 2.211 178.795 176.600 -0.026 0.000 1.052 240 K CA 0.911 57.157 56.287 -0.069 0.000 0.965 240 K CB -0.690 31.722 32.500 -0.147 0.000 0.746 240 K HN 0.345 nan 8.250 nan 0.000 0.457 241 S N 0.207 115.897 115.700 -0.016 0.000 2.483 241 S HA 0.096 4.566 4.470 -0.000 0.000 0.221 241 S C 1.716 176.340 174.600 0.039 0.000 1.030 241 S CA 0.344 58.561 58.200 0.029 0.000 0.925 241 S CB 0.400 63.587 63.200 -0.022 0.000 0.795 241 S HN 0.164 nan 8.310 nan 0.000 0.511 242 S N -0.072 115.634 115.700 0.010 0.000 2.979 242 S HA 0.204 4.674 4.470 -0.000 0.000 0.243 242 S C 1.415 176.007 174.600 -0.013 0.000 1.036 242 S CA -0.243 57.940 58.200 -0.028 0.000 0.846 242 S CB -0.659 62.531 63.200 -0.018 0.000 0.806 242 S HN 0.456 nan 8.310 nan 0.000 0.568 243 Y N 3.958 124.246 120.300 -0.021 0.000 2.256 243 Y HA -0.205 4.345 4.550 -0.000 0.000 0.288 243 Y C 2.584 178.511 175.900 0.045 0.000 1.155 243 Y CA 1.524 59.628 58.100 0.007 0.000 1.203 243 Y CB -0.546 37.920 38.460 0.010 0.000 0.980 243 Y HN 0.390 nan 8.280 nan 0.000 0.530 244 S N 0.036 115.770 115.700 0.056 0.000 2.402 244 S HA -0.257 4.213 4.470 -0.000 0.000 0.233 244 S C 2.080 176.719 174.600 0.065 0.000 1.030 244 S CA 1.503 59.764 58.200 0.102 0.000 1.003 244 S CB -1.050 62.271 63.200 0.202 0.000 0.813 244 S HN 0.596 nan 8.310 nan 0.000 0.477 245 L N 0.875 122.044 121.223 -0.091 0.000 2.027 245 L HA -0.008 4.332 4.340 -0.000 0.000 0.206 245 L C 2.511 179.268 176.870 -0.188 0.000 1.074 245 L CA 1.681 56.389 54.840 -0.220 0.000 0.745 245 L CB -0.492 41.297 42.059 -0.451 0.000 0.898 245 L HN 0.355 nan 8.230 nan 0.000 0.433 246 I N -0.825 119.561 120.570 -0.306 0.000 2.163 246 I HA -0.356 3.814 4.170 -0.000 0.000 0.243 246 I C 2.810 178.747 176.117 -0.300 0.000 1.085 246 I CA 1.595 62.699 61.300 -0.327 0.000 1.347 246 I CB -0.385 37.357 38.000 -0.429 0.000 1.044 246 I HN 0.256 nan 8.210 nan 0.000 0.408 247 S N 0.735 116.177 115.700 -0.430 0.000 2.368 247 S HA -0.155 4.315 4.470 -0.000 0.000 0.225 247 S C 2.106 176.826 174.600 0.200 0.000 1.030 247 S CA 1.121 59.272 58.200 -0.081 0.000 0.999 247 S CB -0.297 62.908 63.200 0.008 0.000 0.844 247 S HN 0.329 nan 8.310 nan 0.000 0.459 248 L N 0.925 122.255 121.223 0.177 0.000 2.013 248 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 248 L C 2.637 179.650 176.870 0.237 0.000 1.073 248 L CA 2.027 57.033 54.840 0.278 0.000 0.753 248 L CB -0.970 41.193 42.059 0.173 0.000 0.890 248 L HN 0.510 nan 8.230 nan 0.000 0.432 249 C N -0.565 118.767 119.300 0.055 0.000 2.432 249 C HA -0.198 4.262 4.460 -0.000 0.000 0.277 249 C C 2.814 177.763 174.990 -0.068 0.000 1.249 249 C CA 0.924 59.929 59.018 -0.021 0.000 1.725 249 C CB -0.813 26.868 27.740 -0.099 0.000 2.028 249 C HN 0.475 nan 8.230 nan 0.000 0.477 250 K N -0.373 119.958 120.400 -0.115 0.000 2.044 250 K HA -0.207 4.112 4.320 -0.000 0.000 0.210 250 K C 1.735 178.131 176.600 -0.340 0.000 1.049 250 K CA 2.029 58.152 56.287 -0.274 0.000 0.927 250 K CB -0.300 31.990 32.500 -0.349 0.000 0.713 250 K HN 0.650 nan 8.250 nan 0.000 0.443 251 Y N -1.348 118.961 120.300 0.016 0.000 2.397 251 Y HA 0.014 4.564 4.550 -0.000 0.000 0.292 251 Y C 1.778 177.597 175.900 -0.136 0.000 1.115 251 Y CA 0.505 58.578 58.100 -0.045 0.000 1.208 251 Y CB 0.086 38.536 38.460 -0.016 0.000 1.046 251 Y HN -0.013 nan 8.280 nan 0.000 0.552 252 F N -0.963 118.991 119.950 0.007 0.000 2.512 252 F HA -0.109 4.418 4.527 -0.000 0.000 0.296 252 F C 2.230 177.946 175.800 -0.141 0.000 1.110 252 F CA 0.597 58.565 58.000 -0.054 0.000 1.446 252 F CB -0.282 38.703 39.000 -0.025 0.000 1.092 252 F HN -0.084 nan 8.300 nan 0.000 0.554 253 V N -1.903 117.948 119.914 -0.106 0.000 2.594 253 V HA -0.231 3.889 4.120 -0.000 0.000 0.253 253 V C 1.809 177.731 176.094 -0.286 0.000 1.069 253 V CA 1.895 63.999 62.300 -0.325 0.000 1.082 253 V CB -0.778 30.568 31.823 -0.794 0.000 0.680 253 V HN 0.309 nan 8.190 nan 0.000 0.469 254 N N 1.648 120.212 118.700 -0.227 0.000 2.459 254 N HA 0.056 4.796 4.740 -0.000 0.000 0.181 254 N C 1.504 176.881 175.510 -0.221 0.000 1.046 254 N CA 1.920 54.858 53.050 -0.187 0.000 0.904 254 N CB -0.037 38.346 38.487 -0.173 0.000 0.964 254 N HN 0.872 nan 8.380 nan 0.000 0.444 255 I N -3.369 117.075 120.570 -0.210 0.000 3.927 255 I HA 0.357 4.527 4.170 -0.000 0.000 0.332 255 I C -0.049 176.051 176.117 -0.028 0.000 1.485 255 I CA -0.174 61.008 61.300 -0.196 0.000 1.131 255 I CB 0.107 37.965 38.000 -0.237 0.000 1.092 255 I HN -0.231 nan 8.210 nan 0.000 0.410 256 M N 1.143 120.728 119.600 -0.025 0.000 2.528 256 M HA 0.506 4.986 4.480 -0.000 0.000 0.321 256 M C -0.361 175.952 176.300 0.020 0.000 1.153 256 M CA -0.580 54.733 55.300 0.022 0.000 0.951 256 M CB 2.376 34.989 32.600 0.023 0.000 1.705 256 M HN -0.008 nan 8.290 nan 0.000 0.451 257 K N 1.703 122.125 120.400 0.037 0.000 2.168 257 K HA 0.385 4.705 4.320 -0.000 0.000 0.258 257 K C -2.442 174.183 176.600 0.042 0.000 1.010 257 K CA -1.449 54.862 56.287 0.040 0.000 0.929 257 K CB 0.059 32.583 32.500 0.039 0.000 0.998 257 K HN 0.238 nan 8.250 nan 0.000 0.479 258 P HA -0.055 nan 4.420 nan 0.000 0.267 258 P C -0.856 176.463 177.300 0.032 0.000 1.200 258 P CA 0.391 63.522 63.100 0.053 0.000 0.772 258 P CB 0.491 32.218 31.700 0.044 0.000 0.855 259 Q N -1.947 117.869 119.800 0.027 0.000 2.424 259 Q HA -0.147 4.193 4.340 -0.000 0.000 0.234 259 Q C -0.053 175.947 176.000 -0.001 0.000 0.748 259 Q CA 0.563 56.371 55.803 0.009 0.000 1.286 259 Q CB -2.195 26.545 28.738 0.003 0.000 1.494 259 Q HN 0.435 nan 8.270 nan 0.000 0.683 260 S N -0.252 115.452 115.700 0.007 0.000 2.608 260 S HA 0.481 4.951 4.470 -0.000 0.000 0.261 260 S C 0.072 174.661 174.600 -0.018 0.000 1.314 260 S CA -0.118 58.081 58.200 -0.002 0.000 0.992 260 S CB 1.693 64.898 63.200 0.008 0.000 0.935 260 S HN 0.302 nan 8.310 nan 0.000 0.564 261 S N 0.072 115.755 115.700 -0.029 0.000 2.546 261 S HA 0.707 5.177 4.470 -0.000 0.000 0.274 261 S C -1.418 173.154 174.600 -0.047 0.000 1.121 261 S CA -0.745 57.427 58.200 -0.046 0.000 0.887 261 S CB 0.407 63.564 63.200 -0.070 0.000 1.094 261 S HN 0.541 nan 8.310 nan 0.000 0.474 262 I N 4.562 125.100 120.570 -0.054 0.000 2.582 262 I HA 0.569 4.739 4.170 -0.000 0.000 0.292 262 I C -0.795 175.284 176.117 -0.063 0.000 1.066 262 I CA -0.972 60.292 61.300 -0.060 0.000 1.053 262 I CB 1.912 39.876 38.000 -0.060 0.000 1.241 262 I HN 0.691 nan 8.210 nan 0.000 0.421 263 I N 2.492 123.023 120.570 -0.064 0.000 2.828 263 I HA 0.828 4.998 4.170 -0.000 0.000 0.302 263 I C -0.150 175.938 176.117 -0.049 0.000 1.101 263 I CA -0.264 60.998 61.300 -0.062 0.000 1.031 263 I CB 2.293 40.256 38.000 -0.062 0.000 1.231 263 I HN 0.599 nan 8.210 nan 0.000 0.427 264 S N 4.660 120.326 115.700 -0.056 0.000 2.745 264 S HA 0.821 5.291 4.470 -0.000 0.000 0.306 264 S C -0.857 173.720 174.600 -0.038 0.000 1.137 264 S CA -0.962 57.224 58.200 -0.023 0.000 0.900 264 S CB 1.588 64.720 63.200 -0.114 0.000 1.176 264 S HN 0.699 nan 8.310 nan 0.000 0.520 265 L N 0.796 122.021 121.223 0.003 0.000 2.341 265 L HA 0.728 5.068 4.340 -0.000 0.000 0.278 265 L C 0.051 176.923 176.870 0.004 0.000 1.005 265 L CA -0.358 54.462 54.840 -0.033 0.000 0.818 265 L CB 2.114 44.155 42.059 -0.031 0.000 1.259 265 L HN 0.892 nan 8.230 nan 0.000 0.418 266 T N 0.633 115.174 114.554 -0.023 0.000 2.831 266 T HA 0.623 4.973 4.350 -0.000 0.000 0.287 266 T C -1.936 172.824 174.700 0.100 0.000 1.070 266 T CA -0.317 61.801 62.100 0.030 0.000 1.010 266 T CB 1.629 70.478 68.868 -0.032 0.000 1.264 266 T HN 0.388 nan 8.240 nan 0.000 0.532 267 Y N 0.163 120.437 120.300 -0.044 0.000 2.504 267 Y HA 0.435 4.985 4.550 -0.000 0.000 0.344 267 Y C 0.634 176.520 175.900 -0.023 0.000 1.023 267 Y CA -1.058 57.004 58.100 -0.064 0.000 1.020 267 Y CB 1.517 39.884 38.460 -0.156 0.000 1.282 267 Y HN 0.909 nan 8.280 nan 0.000 0.454 268 H N 3.735 122.405 119.070 -0.666 0.000 2.518 268 H HA -0.012 4.544 4.556 -0.000 0.000 0.289 268 H C 1.732 176.791 175.328 -0.448 0.000 1.051 268 H CA 1.724 57.535 56.048 -0.395 0.000 1.280 268 H CB 0.089 29.727 29.762 -0.207 0.000 1.380 268 H HN 0.743 nan 8.280 nan 0.000 0.566 269 A N -0.188 122.163 122.820 -0.781 0.000 2.084 269 A HA -0.226 4.094 4.320 -0.000 0.000 0.221 269 A C 2.576 180.061 177.584 -0.166 0.000 1.161 269 A CA 1.705 53.504 52.037 -0.397 0.000 0.653 269 A CB -0.879 17.931 19.000 -0.316 0.000 0.802 269 A HN 0.663 nan 8.150 nan 0.000 0.457 270 S N -1.191 114.431 115.700 -0.130 0.000 2.399 270 S HA -0.179 4.291 4.470 -0.000 0.000 0.231 270 S C 1.764 176.313 174.600 -0.086 0.000 1.022 270 S CA 1.388 59.564 58.200 -0.039 0.000 0.983 270 S CB -0.201 62.996 63.200 -0.005 0.000 0.803 270 S HN 0.589 nan 8.310 nan 0.000 0.480 271 Q N 0.372 120.051 119.800 -0.202 0.000 2.394 271 Q HA 0.396 4.736 4.340 -0.000 0.000 0.218 271 Q C 0.006 175.836 176.000 -0.282 0.000 0.907 271 Q CA 0.783 56.460 55.803 -0.211 0.000 0.919 271 Q CB 0.241 28.878 28.738 -0.169 0.000 1.051 271 Q HN 0.410 nan 8.270 nan 0.000 0.538 272 K N 0.425 120.559 120.400 -0.444 0.000 2.435 272 K HA 0.430 4.750 4.320 -0.000 0.000 0.251 272 K C -0.757 175.731 176.600 -0.187 0.000 0.954 272 K CA -0.887 55.221 56.287 -0.299 0.000 0.820 272 K CB 2.755 35.055 32.500 -0.333 0.000 1.292 272 K HN -0.224 nan 8.250 nan 0.000 0.436 273 V N 2.029 121.898 119.914 -0.075 0.000 2.470 273 V HA 0.127 4.247 4.120 -0.000 0.000 0.276 273 V C 0.010 176.114 176.094 0.017 0.000 1.040 273 V CA -0.496 61.796 62.300 -0.013 0.000 1.008 273 V CB 0.927 32.758 31.823 0.013 0.000 0.990 273 V HN 0.347 nan 8.190 nan 0.000 0.477 274 V N 8.122 128.077 119.914 0.070 0.000 2.305 274 V HA 0.309 4.429 4.120 -0.000 0.000 0.275 274 V C -2.234 173.994 176.094 0.224 0.000 1.020 274 V CA -1.715 60.684 62.300 0.166 0.000 0.811 274 V CB 1.502 33.472 31.823 0.246 0.000 1.031 274 V HN 0.763 nan 8.190 nan 0.000 0.439 275 P HA 0.302 nan 4.420 nan 0.000 0.265 275 P C 1.074 178.492 177.300 0.196 0.000 1.193 275 P CA 1.278 64.458 63.100 0.132 0.000 0.765 275 P CB 0.873 32.615 31.700 0.069 0.000 0.823 276 G N 2.213 111.083 108.800 0.116 0.000 2.258 276 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.233 276 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.233 276 G C 0.057 174.863 174.900 -0.157 0.000 1.006 276 G CA -0.359 44.762 45.100 0.035 0.000 0.620 276 G HN 0.536 nan 8.290 nan 0.000 0.511 277 Y N 3.448 123.650 120.300 -0.163 0.000 2.570 277 Y HA 0.509 5.059 4.550 -0.000 0.000 0.336 277 Y C 1.130 176.971 175.900 -0.098 0.000 1.284 277 Y CA 0.172 58.148 58.100 -0.206 0.000 1.761 277 Y CB -0.296 38.202 38.460 0.064 0.000 1.724 277 Y HN 0.386 nan 8.280 nan 0.000 0.455 278 G N 0.770 109.420 108.800 -0.251 0.000 2.671 278 G HA2 0.448 4.408 3.960 -0.000 0.000 0.275 278 G HA3 0.448 4.408 3.960 -0.000 0.000 0.275 278 G C 0.730 175.522 174.900 -0.180 0.000 1.368 278 G CA -0.535 44.477 45.100 -0.146 0.000 1.044 278 G HN 0.992 nan 8.290 nan 0.000 0.543 279 G N -2.181 106.569 108.800 -0.084 0.000 2.168 279 G HA2 0.211 4.171 3.960 -0.000 0.000 0.263 279 G HA3 0.211 4.171 3.960 -0.000 0.000 0.263 279 G C 1.485 176.359 174.900 -0.044 0.000 0.977 279 G CA 1.266 46.329 45.100 -0.062 0.000 0.659 279 G HN 2.551 nan 8.290 nan 0.000 0.533 280 G N -1.693 107.097 108.800 -0.017 0.000 2.157 280 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.248 280 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.248 280 G C 1.214 176.005 174.900 -0.183 0.000 0.979 280 G CA 1.040 46.092 45.100 -0.080 0.000 0.650 280 G HN 0.625 nan 8.290 nan 0.000 0.529 281 M N 1.666 121.133 119.600 -0.222 0.000 2.159 281 M HA -0.065 4.415 4.480 -0.000 0.000 0.263 281 M C 2.884 179.198 176.300 0.022 0.000 1.063 281 M CA 2.359 57.493 55.300 -0.276 0.000 1.110 281 M CB -1.382 30.747 32.600 -0.786 0.000 1.374 281 M HN 0.756 nan 8.290 nan 0.000 0.411 282 S N -0.176 115.616 115.700 0.153 0.000 2.368 282 S HA -0.114 4.356 4.470 -0.000 0.000 0.225 282 S C 2.024 176.705 174.600 0.134 0.000 1.030 282 S CA 1.716 60.098 58.200 0.304 0.000 0.999 282 S CB -0.746 62.616 63.200 0.269 0.000 0.844 282 S HN 0.455 nan 8.310 nan 0.000 0.459 283 S N 2.960 118.697 115.700 0.062 0.000 2.368 283 S HA 0.087 4.557 4.470 -0.000 0.000 0.225 283 S C 2.356 176.932 174.600 -0.041 0.000 1.030 283 S CA 1.013 59.225 58.200 0.020 0.000 0.999 283 S CB -0.980 62.209 63.200 -0.018 0.000 0.844 283 S HN 0.800 nan 8.310 nan 0.000 0.459 284 A N 2.149 124.914 122.820 -0.092 0.000 1.902 284 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 284 A C 2.090 179.672 177.584 -0.003 0.000 1.181 284 A CA 1.278 53.267 52.037 -0.079 0.000 0.623 284 A CB -0.332 18.604 19.000 -0.106 0.000 0.818 284 A HN 0.223 nan 8.150 nan 0.000 0.443 285 K N -0.010 120.429 120.400 0.065 0.000 2.103 285 K HA 0.065 4.385 4.320 -0.000 0.000 0.204 285 K C 2.205 178.827 176.600 0.036 0.000 1.052 285 K CA 1.232 57.567 56.287 0.079 0.000 0.945 285 K CB -0.902 31.699 32.500 0.168 0.000 0.722 285 K HN 0.444 nan 8.250 nan 0.000 0.443 286 A N 1.519 124.362 122.820 0.037 0.000 1.902 286 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 286 A C 2.418 180.010 177.584 0.013 0.000 1.181 286 A CA 2.118 54.168 52.037 0.023 0.000 0.623 286 A CB -0.616 18.402 19.000 0.030 0.000 0.818 286 A HN 0.282 nan 8.150 nan 0.000 0.443 287 A N -0.514 122.310 122.820 0.006 0.000 1.898 287 A HA -0.021 4.298 4.320 -0.000 0.000 0.216 287 A C 2.170 179.747 177.584 -0.012 0.000 1.181 287 A CA 1.640 53.678 52.037 0.002 0.000 0.620 287 A CB -0.662 18.336 19.000 -0.004 0.000 0.819 287 A HN 0.701 nan 8.150 nan 0.000 0.442 288 L N 0.002 121.208 121.223 -0.027 0.000 2.042 288 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 288 L C 2.253 179.093 176.870 -0.050 0.000 1.076 288 L CA 2.456 57.260 54.840 -0.059 0.000 0.749 288 L CB -0.448 41.567 42.059 -0.074 0.000 0.893 288 L HN 0.521 nan 8.230 nan 0.000 0.432 289 E N -1.250 118.933 120.200 -0.028 0.000 2.077 289 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 289 E C 2.259 178.854 176.600 -0.009 0.000 0.989 289 E CA 1.281 57.668 56.400 -0.021 0.000 0.800 289 E CB -0.181 29.514 29.700 -0.008 0.000 0.746 289 E HN 0.536 nan 8.360 nan 0.000 0.452 290 S N 0.679 116.378 115.700 -0.001 0.000 2.368 290 S HA -0.156 4.313 4.470 -0.000 0.000 0.224 290 S C 1.461 176.065 174.600 0.007 0.000 1.029 290 S CA 1.329 59.533 58.200 0.007 0.000 0.988 290 S CB -0.176 63.032 63.200 0.012 0.000 0.838 290 S HN 0.150 nan 8.310 nan 0.000 0.462 291 D N 0.819 121.217 120.400 -0.003 0.000 2.178 291 D HA -0.047 4.593 4.640 -0.000 0.000 0.201 291 D C 1.957 178.251 176.300 -0.009 0.000 0.980 291 D CA 1.273 55.270 54.000 -0.004 0.000 0.842 291 D CB -0.853 39.931 40.800 -0.026 0.000 0.948 291 D HN 0.408 nan 8.370 nan 0.000 0.472 292 T N 0.779 115.319 114.554 -0.024 0.000 2.788 292 T HA -0.112 4.238 4.350 -0.000 0.000 0.268 292 T C 1.992 176.699 174.700 0.011 0.000 1.044 292 T CA 0.873 62.959 62.100 -0.023 0.000 1.139 292 T CB 0.058 68.903 68.868 -0.039 0.000 0.867 292 T HN 0.186 nan 8.240 nan 0.000 0.454 293 R N 0.331 120.844 120.500 0.021 0.000 2.062 293 R HA -0.030 4.310 4.340 -0.000 0.000 0.231 293 R C 2.556 178.904 176.300 0.081 0.000 1.136 293 R CA 1.114 57.239 56.100 0.042 0.000 0.948 293 R CB -0.765 29.550 30.300 0.026 0.000 0.845 293 R HN 0.239 nan 8.270 nan 0.000 0.430 294 V N 1.706 121.666 119.914 0.076 0.000 2.343 294 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 294 V C 2.348 178.555 176.094 0.189 0.000 1.051 294 V CA 1.667 64.044 62.300 0.128 0.000 1.036 294 V CB -0.488 31.393 31.823 0.096 0.000 0.654 294 V HN 0.269 nan 8.190 nan 0.000 0.451 295 L N 0.209 121.499 121.223 0.113 0.000 2.046 295 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 295 L C 2.766 179.701 176.870 0.108 0.000 1.077 295 L CA 1.534 56.428 54.840 0.091 0.000 0.747 295 L CB -0.853 41.211 42.059 0.009 0.000 0.896 295 L HN 0.355 nan 8.230 nan 0.000 0.432 296 A N -0.528 122.351 122.820 0.098 0.000 1.908 296 A HA -0.301 4.019 4.320 -0.000 0.000 0.218 296 A C 2.203 179.875 177.584 0.146 0.000 1.181 296 A CA 1.866 53.960 52.037 0.095 0.000 0.627 296 A CB -0.889 18.156 19.000 0.075 0.000 0.818 296 A HN 0.503 nan 8.150 nan 0.000 0.445 297 Y N -0.343 119.993 120.300 0.060 0.000 2.114 297 Y HA -0.241 4.309 4.550 -0.000 0.000 0.284 297 Y C 2.504 178.464 175.900 0.099 0.000 1.143 297 Y CA 2.318 60.453 58.100 0.058 0.000 1.135 297 Y CB -0.715 37.767 38.460 0.037 0.000 0.980 297 Y HN 0.508 nan 8.280 nan 0.000 0.499 298 H N 0.572 119.554 119.070 -0.146 0.000 2.293 298 H HA -0.135 4.421 4.556 -0.000 0.000 0.300 298 H C 2.233 177.526 175.328 -0.058 0.000 1.082 298 H CA 2.400 58.334 56.048 -0.191 0.000 1.308 298 H CB -0.499 29.268 29.762 0.009 0.000 1.375 298 H HN 0.452 nan 8.280 nan 0.000 0.495 299 L N -0.672 120.669 121.223 0.198 0.000 2.131 299 L HA -0.075 4.265 4.340 -0.000 0.000 0.210 299 L C 2.834 179.801 176.870 0.162 0.000 1.092 299 L CA 0.984 55.954 54.840 0.218 0.000 0.759 299 L CB -0.715 41.389 42.059 0.075 0.000 0.903 299 L HN 0.315 nan 8.230 nan 0.000 0.435 300 G N -0.249 108.588 108.800 0.062 0.000 2.414 300 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.215 300 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.215 300 G C 1.765 176.647 174.900 -0.029 0.000 1.188 300 G CA 0.162 45.275 45.100 0.022 0.000 0.783 300 G HN 0.124 nan 8.290 nan 0.000 0.537 301 R N 0.621 121.046 120.500 -0.125 0.000 2.073 301 R HA 0.022 4.362 4.340 -0.000 0.000 0.229 301 R C 1.933 178.127 176.300 -0.177 0.000 1.120 301 R CA 0.976 56.967 56.100 -0.181 0.000 0.967 301 R CB -0.652 29.435 30.300 -0.356 0.000 0.862 301 R HN 0.305 nan 8.270 nan 0.000 0.436 302 N N -0.564 118.025 118.700 -0.184 0.000 2.353 302 N HA -0.016 4.724 4.740 -0.000 0.000 0.185 302 N C 0.417 175.476 175.510 -0.751 0.000 1.098 302 N CA 0.686 53.489 53.050 -0.411 0.000 0.872 302 N CB 0.279 38.542 38.487 -0.373 0.000 0.970 302 N HN 0.327 nan 8.380 nan 0.000 0.467 303 Y N -0.877 119.410 120.300 -0.021 0.000 2.729 303 Y HA 0.245 4.795 4.550 -0.000 0.000 0.266 303 Y C 0.281 176.168 175.900 -0.022 0.000 1.064 303 Y CA -0.668 57.418 58.100 -0.023 0.000 1.251 303 Y CB -0.019 38.424 38.460 -0.028 0.000 1.379 303 Y HN -0.053 nan 8.280 nan 0.000 0.569 304 N N 1.563 120.314 118.700 0.085 0.000 2.727 304 N HA -0.215 4.525 4.740 -0.000 0.000 0.249 304 N C -0.859 174.690 175.510 0.064 0.000 1.048 304 N CA 0.186 53.267 53.050 0.052 0.000 0.714 304 N CB -0.800 37.703 38.487 0.028 0.000 0.959 304 N HN 0.336 nan 8.380 nan 0.000 0.544 305 I N 1.213 121.836 120.570 0.088 0.000 2.441 305 I HA 0.352 4.522 4.170 -0.000 0.000 0.295 305 I C 0.535 176.667 176.117 0.024 0.000 0.994 305 I CA -0.699 60.629 61.300 0.047 0.000 1.144 305 I CB 1.603 39.623 38.000 0.034 0.000 1.314 305 I HN 0.049 nan 8.210 nan 0.000 0.445 306 R N 5.809 126.308 120.500 -0.003 0.000 2.536 306 R HA 0.734 5.074 4.340 -0.000 0.000 0.279 306 R C -0.849 175.437 176.300 -0.024 0.000 1.001 306 R CA -0.751 55.341 56.100 -0.013 0.000 1.027 306 R CB 2.152 32.432 30.300 -0.033 0.000 1.096 306 R HN 0.536 nan 8.270 nan 0.000 0.502 307 I N 1.313 121.871 120.570 -0.020 0.000 2.607 307 I HA 0.366 4.536 4.170 -0.000 0.000 0.290 307 I C -1.475 174.624 176.117 -0.030 0.000 1.129 307 I CA -0.562 60.718 61.300 -0.033 0.000 1.042 307 I CB 1.782 39.761 38.000 -0.034 0.000 1.242 307 I HN 0.665 nan 8.210 nan 0.000 0.421 308 N N 3.477 122.151 118.700 -0.043 0.000 2.697 308 N HA 0.464 5.204 4.740 -0.000 0.000 0.272 308 N C -1.503 173.973 175.510 -0.056 0.000 1.381 308 N CA -0.544 52.482 53.050 -0.040 0.000 0.797 308 N CB 2.398 40.865 38.487 -0.033 0.000 1.523 308 N HN 0.490 nan 8.380 nan 0.000 0.518 309 T N 0.211 114.729 114.554 -0.060 0.000 2.900 309 T HA 0.620 4.970 4.350 -0.000 0.000 0.295 309 T C -1.079 173.558 174.700 -0.104 0.000 1.044 309 T CA -0.513 61.538 62.100 -0.082 0.000 0.995 309 T CB 0.733 69.548 68.868 -0.089 0.000 1.072 309 T HN 0.284 nan 8.240 nan 0.000 0.473 310 I N 3.324 123.821 120.570 -0.122 0.000 2.339 310 I HA 0.323 4.493 4.170 -0.000 0.000 0.290 310 I C 0.408 176.395 176.117 -0.216 0.000 0.994 310 I CA -0.563 60.641 61.300 -0.159 0.000 1.191 310 I CB 1.783 39.693 38.000 -0.150 0.000 1.343 310 I HN 0.490 nan 8.210 nan 0.000 0.458 311 S N 6.022 121.516 115.700 -0.344 0.000 2.411 311 S HA 0.573 5.043 4.470 -0.000 0.000 0.304 311 S C 0.083 174.544 174.600 -0.232 0.000 1.098 311 S CA -0.617 57.340 58.200 -0.406 0.000 1.068 311 S CB 0.052 62.645 63.200 -1.012 0.000 1.032 311 S HN 0.644 nan 8.310 nan 0.000 0.511 312 A N 4.178 126.930 122.820 -0.112 0.000 2.293 312 A HA 0.765 5.085 4.320 -0.000 0.000 0.302 312 A C 0.890 178.561 177.584 0.145 0.000 1.119 312 A CA -0.273 51.705 52.037 -0.098 0.000 0.823 312 A CB 0.339 19.080 19.000 -0.431 0.000 1.097 312 A HN 0.877 nan 8.150 nan 0.000 0.491 313 G N 0.378 109.282 108.800 0.174 0.000 2.588 313 G HA2 0.516 4.476 3.960 -0.000 0.000 0.278 313 G HA3 0.516 4.476 3.960 -0.000 0.000 0.278 313 G C -2.439 172.624 174.900 0.271 0.000 1.307 313 G CA -1.105 44.147 45.100 0.253 0.000 1.016 313 G HN 0.617 nan 8.290 nan 0.000 0.503 314 P HA 0.331 nan 4.420 nan 0.000 0.276 314 P C -1.035 176.310 177.300 0.076 0.000 1.230 314 P CA -0.193 62.966 63.100 0.098 0.000 0.776 314 P CB 1.646 33.371 31.700 0.042 0.000 0.888 315 L N 2.188 123.408 121.223 -0.004 0.000 2.464 315 L HA 0.417 4.757 4.340 -0.000 0.000 0.266 315 L C 0.027 176.823 176.870 -0.124 0.000 0.965 315 L CA -0.669 54.087 54.840 -0.140 0.000 0.833 315 L CB 2.169 43.920 42.059 -0.513 0.000 1.296 315 L HN 0.185 nan 8.230 nan 0.000 0.405 316 K N 3.300 123.644 120.400 -0.094 0.000 2.121 316 K HA 0.254 4.574 4.320 -0.000 0.000 0.235 316 K C -0.230 176.323 176.600 -0.079 0.000 1.200 316 K CA -0.014 56.239 56.287 -0.057 0.000 1.115 316 K CB -0.115 32.365 32.500 -0.034 0.000 1.474 316 K HN 0.777 nan 8.250 nan 0.000 0.295 317 S N 0.744 116.389 115.700 -0.092 0.000 2.669 317 S HA 0.314 4.784 4.470 -0.000 0.000 0.270 317 S C 1.595 176.171 174.600 -0.039 0.000 1.225 317 S CA -0.449 57.695 58.200 -0.093 0.000 0.991 317 S CB 1.608 64.738 63.200 -0.116 0.000 0.987 317 S HN 0.593 nan 8.310 nan 0.000 0.552 318 R N 0.472 120.954 120.500 -0.030 0.000 2.091 318 R HA 0.058 4.398 4.340 -0.000 0.000 0.238 318 R C 2.677 178.983 176.300 0.009 0.000 1.136 318 R CA 2.306 58.406 56.100 -0.000 0.000 0.959 318 R CB -2.066 28.243 30.300 0.015 0.000 0.856 318 R HN 1.086 nan 8.270 nan 0.000 0.437 319 A N 0.762 123.581 122.820 -0.001 0.000 1.902 319 A HA 0.205 4.525 4.320 -0.000 0.000 0.217 319 A C 2.846 180.436 177.584 0.011 0.000 1.181 319 A CA 2.053 54.088 52.037 -0.003 0.000 0.623 319 A CB -0.912 18.074 19.000 -0.023 0.000 0.818 319 A HN 1.042 nan 8.150 nan 0.000 0.443 320 A N -1.051 121.784 122.820 0.026 0.000 1.940 320 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 320 A C 2.297 179.943 177.584 0.103 0.000 1.176 320 A CA 2.396 54.480 52.037 0.078 0.000 0.631 320 A CB -1.300 17.741 19.000 0.068 0.000 0.814 320 A HN 0.435 nan 8.150 nan 0.000 0.446 321 T N 0.167 114.759 114.554 0.064 0.000 2.788 321 T HA 0.006 4.356 4.350 -0.000 0.000 0.268 321 T C 2.089 176.823 174.700 0.056 0.000 1.044 321 T CA 1.376 63.515 62.100 0.066 0.000 1.139 321 T CB -0.393 68.499 68.868 0.041 0.000 0.867 321 T HN 0.608 nan 8.240 nan 0.000 0.454 322 A N 0.746 123.586 122.820 0.034 0.000 2.178 322 A HA 0.046 4.366 4.320 -0.000 0.000 0.218 322 A C 2.137 179.716 177.584 -0.007 0.000 1.157 322 A CA 0.789 52.836 52.037 0.016 0.000 0.689 322 A CB -0.809 18.197 19.000 0.010 0.000 0.787 322 A HN 0.561 nan 8.150 nan 0.000 0.465 323 I N -0.581 119.983 120.570 -0.010 0.000 2.439 323 I HA -0.129 4.041 4.170 -0.000 0.000 0.251 323 I C 1.036 177.122 176.117 -0.051 0.000 1.139 323 I CA 0.194 61.438 61.300 -0.093 0.000 1.438 323 I CB -0.408 37.469 38.000 -0.206 0.000 1.085 323 I HN 0.322 nan 8.210 nan 0.000 0.427 324 N N 1.901 120.630 118.700 0.049 0.000 2.441 324 N HA 0.153 4.893 4.740 -0.000 0.000 0.251 324 N C -0.080 175.449 175.510 0.032 0.000 1.242 324 N CA 0.397 53.493 53.050 0.077 0.000 0.898 324 N CB 0.508 39.062 38.487 0.113 0.000 1.100 324 N HN 0.118 nan 8.380 nan 0.000 0.443 325 K N 1.700 122.119 120.400 0.032 0.000 2.288 325 K HA 0.830 5.150 4.320 -0.000 0.000 0.234 325 K C 0.099 176.715 176.600 0.025 0.000 1.037 325 K CA -0.215 56.083 56.287 0.018 0.000 0.914 325 K CB -0.036 32.469 32.500 0.008 0.000 1.197 325 K HN 0.734 nan 8.250 nan 0.000 0.471 368 F N 1.558 121.557 119.950 0.081 0.000 2.063 368 F HA -0.106 4.421 4.527 -0.000 0.000 0.298 368 F C 1.903 177.792 175.800 0.148 0.000 1.105 368 F CA 2.370 60.435 58.000 0.110 0.000 1.215 368 F CB -0.329 38.724 39.000 0.088 0.000 0.972 368 F HN 0.625 nan 8.300 nan 0.000 0.483 369 I N 0.711 121.342 120.570 0.103 0.000 2.394 369 I HA -0.237 3.933 4.170 -0.000 0.000 0.251 369 I C 2.006 178.092 176.117 -0.051 0.000 1.136 369 I CA 1.555 62.838 61.300 -0.027 0.000 1.425 369 I CB -0.805 37.261 38.000 0.111 0.000 1.079 369 I HN 0.172 nan 8.210 nan 0.000 0.425 370 D N -0.506 119.905 120.400 0.017 0.000 2.097 370 D HA -0.278 4.362 4.640 -0.000 0.000 0.195 370 D C 2.006 178.319 176.300 0.021 0.000 0.989 370 D CA 1.638 55.653 54.000 0.025 0.000 0.827 370 D CB -0.525 40.309 40.800 0.055 0.000 0.966 370 D HN 0.436 nan 8.370 nan 0.000 0.456 371 Y N 1.811 122.065 120.300 -0.077 0.000 2.128 371 Y HA -0.257 4.293 4.550 -0.000 0.000 0.284 371 Y C 2.336 178.198 175.900 -0.062 0.000 1.154 371 Y CA 2.066 60.131 58.100 -0.060 0.000 1.149 371 Y CB -0.405 38.005 38.460 -0.083 0.000 0.976 371 Y HN -0.046 nan 8.280 nan 0.000 0.505 372 A N 0.315 123.049 122.820 -0.143 0.000 1.883 372 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 372 A C 2.316 179.861 177.584 -0.065 0.000 1.186 372 A CA 2.100 54.040 52.037 -0.161 0.000 0.624 372 A CB -1.159 17.662 19.000 -0.298 0.000 0.822 372 A HN 0.594 nan 8.150 nan 0.000 0.444 373 I N -0.436 120.094 120.570 -0.067 0.000 2.202 373 I HA -0.208 3.962 4.170 -0.000 0.000 0.242 373 I C 3.111 179.197 176.117 -0.051 0.000 1.091 373 I CA 1.555 62.836 61.300 -0.032 0.000 1.368 373 I CB -0.633 37.350 38.000 -0.028 0.000 1.058 373 I HN 0.539 nan 8.210 nan 0.000 0.410 374 E N 0.448 120.596 120.200 -0.087 0.000 2.058 374 E HA -0.341 4.009 4.350 -0.000 0.000 0.194 374 E C 2.009 178.514 176.600 -0.158 0.000 0.997 374 E CA 1.828 58.156 56.400 -0.120 0.000 0.801 374 E CB -1.406 28.222 29.700 -0.120 0.000 0.746 374 E HN 0.649 nan 8.360 nan 0.000 0.450 375 Y N 0.863 120.974 120.300 -0.315 0.000 2.181 375 Y HA -0.145 4.405 4.550 -0.000 0.000 0.288 375 Y C 2.985 178.850 175.900 -0.059 0.000 1.146 375 Y CA 2.152 60.118 58.100 -0.223 0.000 1.164 375 Y CB -0.413 37.823 38.460 -0.373 0.000 0.982 375 Y HN 0.271 nan 8.280 nan 0.000 0.515 376 S N -0.129 115.649 115.700 0.129 0.000 2.356 376 S HA -0.228 4.242 4.470 -0.000 0.000 0.223 376 S C 1.846 176.425 174.600 -0.034 0.000 1.032 376 S CA 1.846 60.105 58.200 0.097 0.000 1.005 376 S CB -0.378 62.888 63.200 0.111 0.000 0.867 376 S HN 0.676 nan 8.310 nan 0.000 0.449 377 E N 0.297 120.448 120.200 -0.081 0.000 2.204 377 E HA -0.104 4.245 4.350 -0.000 0.000 0.194 377 E C 2.101 178.577 176.600 -0.206 0.000 0.989 377 E CA 0.778 57.111 56.400 -0.112 0.000 0.824 377 E CB -0.045 29.600 29.700 -0.092 0.000 0.756 377 E HN 0.498 nan 8.360 nan 0.000 0.477 378 K N -0.113 120.073 120.400 -0.357 0.000 2.137 378 K HA -0.069 4.251 4.320 -0.000 0.000 0.202 378 K C 1.055 177.236 176.600 -0.698 0.000 1.052 378 K CA 0.980 56.901 56.287 -0.611 0.000 0.961 378 K CB 0.224 32.169 32.500 -0.926 0.000 0.741 378 K HN 0.148 nan 8.250 nan 0.000 0.452 379 Y N -0.268 119.850 120.300 -0.304 0.000 2.444 379 Y HA 0.370 4.920 4.550 -0.000 0.000 0.252 379 Y C 0.574 176.386 175.900 -0.147 0.000 1.091 379 Y CA -0.583 57.345 58.100 -0.288 0.000 1.276 379 Y CB 0.703 38.842 38.460 -0.535 0.000 1.170 379 Y HN -0.014 nan 8.280 nan 0.000 0.517 380 A N 1.612 124.443 122.820 0.019 0.000 2.483 380 A HA 0.086 4.406 4.320 -0.000 0.000 0.238 380 A C -1.520 176.071 177.584 0.010 0.000 1.070 380 A CA -0.951 51.105 52.037 0.031 0.000 0.770 380 A CB -0.115 18.902 19.000 0.029 0.000 1.008 380 A HN 0.121 nan 8.150 nan 0.000 0.497 381 P HA -0.109 nan 4.420 nan 0.000 0.217 381 P C -0.178 177.119 177.300 -0.006 0.000 1.151 381 P CA 1.203 64.304 63.100 0.002 0.000 0.849 381 P CB -0.038 31.661 31.700 -0.001 0.000 0.787 382 L N -0.381 120.839 121.223 -0.004 0.000 2.280 382 L HA 0.316 4.656 4.340 -0.000 0.000 0.287 382 L C 1.446 178.307 176.870 -0.015 0.000 1.023 382 L CA -0.708 54.127 54.840 -0.008 0.000 0.819 382 L CB 1.570 43.628 42.059 -0.001 0.000 1.212 382 L HN -0.180 nan 8.230 nan 0.000 0.420 383 R N 1.626 122.109 120.500 -0.027 0.000 2.275 383 R HA 0.008 4.348 4.340 -0.000 0.000 0.199 383 R C 0.333 176.614 176.300 -0.032 0.000 0.989 383 R CA -0.040 56.035 56.100 -0.042 0.000 1.016 383 R CB -0.122 30.142 30.300 -0.061 0.000 0.918 383 R HN 0.706 nan 8.270 nan 0.000 0.473 384 Q N 1.984 121.773 119.800 -0.018 0.000 2.394 384 Q HA -0.022 4.318 4.340 -0.000 0.000 0.303 384 Q C -0.229 175.768 176.000 -0.004 0.000 1.117 384 Q CA 0.312 56.109 55.803 -0.010 0.000 0.966 384 Q CB 0.540 29.277 28.738 -0.001 0.000 1.275 384 Q HN -0.090 nan 8.270 nan 0.000 0.429 385 K N 1.435 121.834 120.400 -0.001 0.000 2.412 385 K HA 0.083 4.403 4.320 -0.000 0.000 0.281 385 K C -0.691 175.923 176.600 0.024 0.000 1.027 385 K CA -0.479 55.811 56.287 0.005 0.000 0.989 385 K CB 0.399 32.900 32.500 0.001 0.000 0.935 385 K HN 0.547 nan 8.250 nan 0.000 0.475 386 L N 6.652 127.898 121.223 0.038 0.000 2.369 386 L HA 0.206 4.546 4.340 -0.000 0.000 0.279 386 L C -0.954 175.963 176.870 0.079 0.000 1.108 386 L CA 0.311 55.194 54.840 0.072 0.000 0.852 386 L CB 0.274 42.396 42.059 0.104 0.000 1.169 386 L HN 0.530 nan 8.230 nan 0.000 0.452 387 L N 4.009 125.286 121.223 0.090 0.000 2.344 387 L HA 0.368 4.707 4.340 -0.000 0.000 0.272 387 L C 1.502 178.469 176.870 0.160 0.000 1.035 387 L CA -0.433 54.460 54.840 0.089 0.000 0.807 387 L CB 1.554 43.656 42.059 0.071 0.000 1.237 387 L HN 0.724 nan 8.230 nan 0.000 0.442 388 S N 0.458 116.230 115.700 0.120 0.000 2.383 388 S HA -0.178 4.292 4.470 -0.000 0.000 0.229 388 S C 1.744 176.484 174.600 0.234 0.000 1.030 388 S CA 2.248 60.572 58.200 0.205 0.000 1.002 388 S CB -0.152 63.096 63.200 0.081 0.000 0.829 388 S HN 0.922 nan 8.310 nan 0.000 0.467 389 T N -0.999 113.641 114.554 0.143 0.000 3.035 389 T HA 0.010 4.360 4.350 -0.000 0.000 0.268 389 T C 1.203 175.953 174.700 0.083 0.000 1.109 389 T CA 0.971 63.130 62.100 0.098 0.000 1.119 389 T CB -0.386 68.526 68.868 0.073 0.000 0.900 389 T HN 0.267 nan 8.240 nan 0.000 0.503 390 D N 1.317 121.777 120.400 0.100 0.000 2.144 390 D HA 0.011 4.651 4.640 -0.000 0.000 0.199 390 D C 1.780 178.111 176.300 0.052 0.000 0.984 390 D CA 0.696 54.739 54.000 0.072 0.000 0.834 390 D CB -0.162 40.686 40.800 0.080 0.000 0.955 390 D HN 0.367 nan 8.370 nan 0.000 0.465 391 I N 0.840 121.451 120.570 0.069 0.000 2.333 391 I HA -0.038 4.132 4.170 -0.000 0.000 0.246 391 I C 2.536 178.650 176.117 -0.006 0.000 1.106 391 I CA 0.874 62.154 61.300 -0.034 0.000 1.411 391 I CB -0.745 37.108 38.000 -0.246 0.000 1.082 391 I HN -0.031 nan 8.210 nan 0.000 0.420 392 G N -0.033 108.793 108.800 0.044 0.000 2.469 392 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.219 392 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.219 392 G C 1.802 176.715 174.900 0.022 0.000 1.150 392 G CA 1.345 46.460 45.100 0.026 0.000 0.763 392 G HN 0.508 nan 8.290 nan 0.000 0.561 393 S N 0.030 115.748 115.700 0.031 0.000 2.406 393 S HA -0.026 4.444 4.470 -0.000 0.000 0.228 393 S C 2.254 176.893 174.600 0.065 0.000 1.020 393 S CA 1.240 59.462 58.200 0.038 0.000 0.965 393 S CB -0.241 62.974 63.200 0.025 0.000 0.798 393 S HN 0.119 nan 8.310 nan 0.000 0.488 394 V N 2.499 122.445 119.914 0.053 0.000 2.358 394 V HA -0.041 4.079 4.120 -0.000 0.000 0.246 394 V C 3.154 179.324 176.094 0.127 0.000 1.047 394 V CA 1.476 63.836 62.300 0.099 0.000 1.035 394 V CB -1.519 30.332 31.823 0.047 0.000 0.658 394 V HN 0.647 nan 8.190 nan 0.000 0.452 395 A N 0.113 122.960 122.820 0.044 0.000 1.908 395 A HA -0.260 4.059 4.320 -0.000 0.000 0.218 395 A C 2.602 180.196 177.584 0.017 0.000 1.181 395 A CA 2.399 54.441 52.037 0.008 0.000 0.627 395 A CB -0.843 18.141 19.000 -0.026 0.000 0.818 395 A HN 0.555 nan 8.150 nan 0.000 0.445 396 S N -1.216 114.507 115.700 0.040 0.000 2.356 396 S HA -0.195 4.275 4.470 -0.000 0.000 0.223 396 S C 1.862 176.504 174.600 0.071 0.000 1.032 396 S CA 1.694 59.917 58.200 0.038 0.000 1.005 396 S CB -0.616 62.605 63.200 0.037 0.000 0.867 396 S HN 0.677 nan 8.310 nan 0.000 0.449 397 F N 2.161 122.099 119.950 -0.020 0.000 2.095 397 F HA -0.002 4.525 4.527 -0.000 0.000 0.298 397 F C 1.846 177.637 175.800 -0.015 0.000 1.104 397 F CA 1.698 59.690 58.000 -0.014 0.000 1.232 397 F CB -0.542 38.450 39.000 -0.012 0.000 0.987 397 F HN 0.229 nan 8.300 nan 0.000 0.475 398 L N -0.197 120.893 121.223 -0.222 0.000 2.201 398 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 398 L C 2.260 178.985 176.870 -0.241 0.000 1.105 398 L CA 0.836 55.481 54.840 -0.326 0.000 0.775 398 L CB -0.530 41.471 42.059 -0.096 0.000 0.913 398 L HN 0.255 nan 8.230 nan 0.000 0.440 399 L N -1.061 120.073 121.223 -0.149 0.000 2.418 399 L HA 0.015 4.355 4.340 -0.000 0.000 0.218 399 L C 1.545 178.349 176.870 -0.110 0.000 1.125 399 L CA -0.092 54.684 54.840 -0.106 0.000 0.835 399 L CB -0.155 41.865 42.059 -0.066 0.000 0.953 399 L HN 0.262 nan 8.230 nan 0.000 0.454 400 S N -1.012 114.603 115.700 -0.141 0.000 2.669 400 S HA 0.235 4.705 4.470 -0.000 0.000 0.270 400 S C 1.174 175.685 174.600 -0.148 0.000 1.225 400 S CA -0.764 57.371 58.200 -0.109 0.000 0.991 400 S CB 1.070 64.234 63.200 -0.061 0.000 0.987 400 S HN 0.077 nan 8.310 nan 0.000 0.552 401 R N 0.520 120.969 120.500 -0.086 0.000 2.237 401 R HA -0.013 4.327 4.340 -0.000 0.000 0.219 401 R C 1.374 177.624 176.300 -0.083 0.000 1.080 401 R CA 0.657 56.713 56.100 -0.074 0.000 0.995 401 R CB -0.409 29.871 30.300 -0.033 0.000 0.875 401 R HN 0.694 nan 8.270 nan 0.000 0.462 402 E N 0.453 120.602 120.200 -0.086 0.000 2.265 402 E HA -0.100 4.250 4.350 -0.000 0.000 0.196 402 E C 1.393 177.918 176.600 -0.125 0.000 0.996 402 E CA 1.274 57.664 56.400 -0.016 0.000 0.832 402 E CB -0.018 29.781 29.700 0.165 0.000 0.756 402 E HN 0.288 nan 8.360 nan 0.000 0.491 403 S N -0.274 115.165 115.700 -0.434 0.000 2.582 403 S HA 0.221 4.691 4.470 -0.000 0.000 0.234 403 S C 1.416 175.891 174.600 -0.208 0.000 0.961 403 S CA -0.375 57.530 58.200 -0.492 0.000 0.953 403 S CB 0.503 63.126 63.200 -0.962 0.000 0.800 403 S HN 0.043 nan 8.310 nan 0.000 0.471 404 R N 1.543 121.967 120.500 -0.127 0.000 2.265 404 R HA -0.297 4.043 4.340 -0.000 0.000 0.256 404 R C 1.758 178.036 176.300 -0.037 0.000 1.120 404 R CA 2.304 58.367 56.100 -0.062 0.000 0.956 404 R CB -0.766 29.516 30.300 -0.029 0.000 0.925 404 R HN 0.613 nan 8.270 nan 0.000 0.448 405 A N -0.437 122.371 122.820 -0.020 0.000 2.379 405 A HA 0.283 4.603 4.320 -0.000 0.000 0.236 405 A C 0.311 177.899 177.584 0.007 0.000 1.272 405 A CA -0.260 51.778 52.037 0.002 0.000 0.886 405 A CB 0.287 19.297 19.000 0.017 0.000 0.962 405 A HN 0.198 nan 8.150 nan 0.000 0.504 406 I N 0.223 120.786 120.570 -0.011 0.000 2.355 406 I HA 0.428 4.598 4.170 -0.000 0.000 0.288 406 I C -0.074 176.035 176.117 -0.013 0.000 0.999 406 I CA -0.183 61.117 61.300 -0.000 0.000 1.163 406 I CB 1.852 39.853 38.000 0.002 0.000 1.316 406 I HN 0.059 nan 8.210 nan 0.000 0.454 407 T N 3.158 117.716 114.554 0.007 0.000 2.885 407 T HA 0.545 4.895 4.350 -0.000 0.000 0.322 407 T C 0.389 175.102 174.700 0.022 0.000 1.387 407 T CA 0.390 62.494 62.100 0.007 0.000 1.041 407 T CB 1.606 70.482 68.868 0.013 0.000 1.287 407 T HN 0.955 nan 8.240 nan 0.000 0.491 408 G N 2.224 111.036 108.800 0.019 0.000 2.162 408 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.260 408 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.260 408 G C -0.097 174.814 174.900 0.018 0.000 0.976 408 G CA 0.306 45.421 45.100 0.025 0.000 0.655 408 G HN 0.725 nan 8.290 nan 0.000 0.533 409 Q N 0.314 120.122 119.800 0.013 0.000 2.235 409 Q HA 0.585 4.925 4.340 -0.000 0.000 0.256 409 Q C -0.103 175.899 176.000 0.003 0.000 0.951 409 Q CA -0.182 55.633 55.803 0.021 0.000 0.890 409 Q CB 1.441 30.200 28.738 0.035 0.000 1.279 409 Q HN 0.181 nan 8.270 nan 0.000 0.444 410 T N 2.816 117.377 114.554 0.012 0.000 2.738 410 T HA 0.417 4.767 4.350 -0.000 0.000 0.298 410 T C 0.200 174.896 174.700 -0.008 0.000 0.962 410 T CA -0.398 61.679 62.100 -0.039 0.000 0.972 410 T CB 0.159 69.005 68.868 -0.037 0.000 0.928 410 T HN 0.241 nan 8.240 nan 0.000 0.474 411 I N 4.073 124.610 120.570 -0.055 0.000 2.312 411 I HA 0.267 4.437 4.170 -0.000 0.000 0.290 411 I C -0.248 175.829 176.117 -0.068 0.000 1.008 411 I CA -0.945 60.364 61.300 0.015 0.000 1.226 411 I CB 0.657 38.678 38.000 0.035 0.000 1.371 411 I HN 0.615 nan 8.210 nan 0.000 0.468 412 Y N 5.153 125.441 120.300 -0.020 0.000 2.393 412 Y HA 0.261 4.811 4.550 -0.000 0.000 0.338 412 Y C 0.504 176.384 175.900 -0.033 0.000 1.029 412 Y CA -0.152 57.925 58.100 -0.038 0.000 1.239 412 Y CB 1.124 39.544 38.460 -0.067 0.000 1.170 412 Y HN 0.238 nan 8.280 nan 0.000 0.515 413 V N 4.358 124.302 119.914 0.050 0.000 2.320 413 V HA 0.213 4.333 4.120 -0.000 0.000 0.268 413 V C -0.632 175.493 176.094 0.051 0.000 1.021 413 V CA -0.590 61.727 62.300 0.028 0.000 0.813 413 V CB 0.737 32.540 31.823 -0.033 0.000 1.054 413 V HN 0.903 nan 8.190 nan 0.000 0.444 414 D N 1.844 122.296 120.400 0.087 0.000 2.848 414 D HA 0.050 4.690 4.640 -0.000 0.000 0.303 414 D C 0.407 176.757 176.300 0.083 0.000 1.665 414 D CA -0.455 53.611 54.000 0.109 0.000 0.807 414 D CB -0.374 40.521 40.800 0.159 0.000 1.288 414 D HN 0.239 nan 8.370 nan 0.000 0.441 415 N N 0.887 119.622 118.700 0.058 0.000 2.708 415 N HA -0.172 4.568 4.740 -0.000 0.000 0.251 415 N C 1.291 176.816 175.510 0.024 0.000 1.123 415 N CA 1.798 54.870 53.050 0.037 0.000 0.739 415 N CB -1.499 37.010 38.487 0.037 0.000 1.113 415 N HN 0.851 nan 8.380 nan 0.000 0.561 416 G N -1.073 107.739 108.800 0.020 0.000 2.162 416 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.260 416 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.260 416 G C 0.925 175.811 174.900 -0.023 0.000 0.976 416 G CA 0.662 45.754 45.100 -0.012 0.000 0.655 416 G HN 0.463 nan 8.290 nan 0.000 0.533 417 L N 2.110 123.341 121.223 0.013 0.000 2.043 417 L HA -0.117 4.223 4.340 -0.000 0.000 0.212 417 L C 2.590 179.439 176.870 -0.035 0.000 1.075 417 L CA 3.255 58.118 54.840 0.039 0.000 0.752 417 L CB -0.855 41.270 42.059 0.111 0.000 0.891 417 L HN 0.723 nan 8.230 nan 0.000 0.432 418 N N 0.173 118.763 118.700 -0.184 0.000 2.334 418 N HA -0.261 4.479 4.740 -0.000 0.000 0.187 418 N C 1.772 177.101 175.510 -0.301 0.000 1.016 418 N CA 1.978 54.745 53.050 -0.472 0.000 0.879 418 N CB -0.942 36.938 38.487 -1.012 0.000 0.965 418 N HN 0.717 nan 8.380 nan 0.000 0.438 419 I N -3.761 116.698 120.570 -0.185 0.000 3.251 419 I HA 0.148 4.318 4.170 -0.000 0.000 0.277 419 I C 0.122 176.223 176.117 -0.027 0.000 1.268 419 I CA -0.086 61.142 61.300 -0.120 0.000 1.449 419 I CB -0.116 37.826 38.000 -0.096 0.000 1.083 419 I HN -0.005 nan 8.210 nan 0.000 0.464 420 M N 0.695 120.306 119.600 0.018 0.000 2.235 420 M HA 0.195 4.675 4.480 -0.000 0.000 0.351 420 M C 0.356 176.763 176.300 0.179 0.000 1.178 420 M CA 0.006 55.355 55.300 0.082 0.000 1.143 420 M CB 1.170 33.816 32.600 0.076 0.000 1.530 420 M HN 0.219 nan 8.290 nan 0.000 0.461 421 F N 2.160 122.104 119.950 -0.010 0.000 2.389 421 F HA 0.320 4.847 4.527 -0.000 0.000 0.275 421 F C 0.065 175.857 175.800 -0.014 0.000 1.009 421 F CA -0.082 57.915 58.000 -0.006 0.000 1.187 421 F CB 0.657 39.650 39.000 -0.011 0.000 1.139 421 F HN 0.296 nan 8.300 nan 0.000 0.613 422 L N 2.756 123.909 121.223 -0.118 0.000 2.282 422 L HA 0.359 4.699 4.340 -0.000 0.000 0.288 422 L C -2.020 174.741 176.870 -0.182 0.000 1.033 422 L CA -2.177 52.484 54.840 -0.299 0.000 0.807 422 L CB 0.987 42.837 42.059 -0.348 0.000 1.209 422 L HN 0.113 nan 8.230 nan 0.000 0.423 423 P HA 0.203 nan 4.420 nan 0.000 0.282 423 P C -1.169 175.994 177.300 -0.229 0.000 1.286 423 P CA -0.437 62.385 63.100 -0.464 0.000 0.777 423 P CB 0.758 31.936 31.700 -0.870 0.000 1.184 424 D N 0.000 120.349 120.400 -0.086 0.000 6.856 424 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 424 D CA 0.000 54.041 54.000 0.069 0.000 0.868 424 D CB 0.000 40.880 40.800 0.133 0.000 0.688 424 D HN 0.000 nan 8.370 nan 0.000 0.683