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 2h2j_1_A DATA FIRST_RESID 50 DATA SEQUENCE LSPAVQTFWK WLQEEGVITA KTPVKASVVT EGLGLVALKD ISRNDVILQV DATA SEQUENCE PKRLWINPDA VAASEIGRVC SELKPWLSVI LFLIRERSRE DSVWKHYFGI DATA SEQUENCE LPQETDSTIY WSEEELQELQ GSQLLKTTVS VKEYVKNECL KLEQEIILPN DATA SEQUENCE KRLFPDPVTL DDFFWAFGIL RSRAFSRLXX XNLVVVPMAD LINHSAGVTT DATA SEQUENCE EDHAYEXXXX XXXXXXXYLF SLKSPLSVKA GEQVYIQYDL NKSNAELALD DATA SEQUENCE YGFIEPNENR HAYTLTLEIS ESDPFFDDKL DVAESNGFAQ TAYFDIFYNR DATA SEQUENCE TLPPGLLPYL RLVALGGTDA FLLESLFRDT IWGHLELSVS RDNEELLCKA DATA SEQUENCE VREACKSALA GYHTTIEQDR ELKEGNLDSR LAIAVGIREG EKMVLQQIDG DATA SEQUENCE IFEQKELELD QLEYYQERRL KDLGLCGENG DILENLY 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 50 L HA 0.000 nan 4.340 nan 0.000 0.249 50 L C 0.000 176.867 176.870 -0.006 0.000 1.165 50 L CA 0.000 54.826 54.840 -0.023 0.000 0.813 50 L CB 0.000 42.028 42.059 -0.051 0.000 0.961 51 S N -0.727 114.980 115.700 0.011 0.000 2.563 51 S HA 0.469 4.939 4.470 -0.000 0.000 0.279 51 S C -2.526 172.104 174.600 0.050 0.000 1.155 51 S CA -0.645 57.571 58.200 0.026 0.000 0.928 51 S CB 1.786 65.000 63.200 0.023 0.000 1.107 51 S HN 0.058 nan 8.310 nan 0.000 0.462 52 P HA -0.061 nan 4.420 nan 0.000 0.213 52 P C 1.489 178.842 177.300 0.088 0.000 1.170 52 P CA 2.225 65.363 63.100 0.062 0.000 0.902 52 P CB 0.057 31.787 31.700 0.051 0.000 0.789 53 A N -0.959 121.915 122.820 0.090 0.000 1.933 53 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 53 A C 2.290 179.978 177.584 0.175 0.000 1.175 53 A CA 1.856 53.967 52.037 0.123 0.000 0.628 53 A CB -1.653 17.402 19.000 0.091 0.000 0.814 53 A HN 0.035 nan 8.150 nan 0.000 0.444 54 V N -0.458 119.543 119.914 0.145 0.000 2.255 54 V HA -0.267 3.853 4.120 -0.000 0.000 0.243 54 V C 2.562 178.831 176.094 0.290 0.000 1.038 54 V CA 1.982 64.405 62.300 0.206 0.000 1.008 54 V CB -1.035 30.845 31.823 0.094 0.000 0.645 54 V HN 0.598 nan 8.190 nan 0.000 0.449 55 Q N -0.150 119.758 119.800 0.181 0.000 2.152 55 Q HA -0.230 4.110 4.340 -0.000 0.000 0.206 55 Q C 2.317 178.452 176.000 0.224 0.000 0.985 55 Q CA 2.208 58.124 55.803 0.189 0.000 0.863 55 Q CB -0.365 28.439 28.738 0.109 0.000 0.904 55 Q HN 0.656 nan 8.270 nan 0.000 0.422 56 T N 0.345 115.004 114.554 0.174 0.000 2.821 56 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 56 T C 1.263 176.028 174.700 0.109 0.000 1.046 56 T CA 0.919 63.062 62.100 0.072 0.000 1.139 56 T CB -0.291 68.590 68.868 0.022 0.000 0.871 56 T HN 0.293 nan 8.240 nan 0.000 0.454 57 F N 0.240 120.294 119.950 0.174 0.000 2.186 57 F HA 0.040 4.566 4.527 -0.000 0.000 0.299 57 F C 2.094 178.179 175.800 0.474 0.000 1.090 57 F CA 0.745 58.952 58.000 0.344 0.000 1.307 57 F CB -0.256 38.963 39.000 0.365 0.000 1.019 57 F HN 0.253 nan 8.300 nan 0.000 0.489 58 W N 1.227 122.632 121.300 0.175 0.000 2.436 58 W HA -0.163 4.497 4.660 -0.000 0.000 0.284 58 W C 2.005 178.517 176.519 -0.011 0.000 1.225 58 W CA 0.790 58.172 57.345 0.061 0.000 1.271 58 W CB 0.017 29.548 29.460 0.119 0.000 1.114 58 W HN -0.105 nan 8.180 nan 0.000 0.559 59 K N -0.254 120.231 120.400 0.141 0.000 2.025 59 K HA -0.228 4.092 4.320 -0.000 0.000 0.207 59 K C 1.559 178.138 176.600 -0.035 0.000 1.049 59 K CA 1.695 57.996 56.287 0.024 0.000 0.933 59 K CB -1.400 31.122 32.500 0.037 0.000 0.714 59 K HN 0.258 nan 8.250 nan 0.000 0.438 60 W N 2.225 123.407 121.300 -0.197 0.000 2.318 60 W HA -0.206 4.454 4.660 -0.000 0.000 0.313 60 W C 1.735 178.120 176.519 -0.224 0.000 1.221 60 W CA 1.543 58.798 57.345 -0.150 0.000 1.266 60 W CB -0.571 28.878 29.460 -0.019 0.000 1.150 60 W HN -0.033 nan 8.180 nan 0.000 0.496 61 L N 0.332 121.239 121.223 -0.526 0.000 2.191 61 L HA -0.265 4.075 4.340 -0.000 0.000 0.212 61 L C 2.612 179.134 176.870 -0.581 0.000 1.103 61 L CA 1.561 55.949 54.840 -0.754 0.000 0.769 61 L CB -0.884 40.742 42.059 -0.721 0.000 0.908 61 L HN 0.186 nan 8.230 nan 0.000 0.438 62 Q N 0.245 119.773 119.800 -0.454 0.000 2.016 62 Q HA -0.161 4.178 4.340 -0.000 0.000 0.200 62 Q C 0.889 176.729 176.000 -0.267 0.000 0.978 62 Q CA 1.100 56.706 55.803 -0.328 0.000 0.833 62 Q CB -0.077 28.520 28.738 -0.236 0.000 0.895 62 Q HN 0.529 nan 8.270 nan 0.000 0.427 63 E N 0.908 120.962 120.200 -0.243 0.000 2.651 63 E HA -0.058 4.292 4.350 -0.000 0.000 0.236 63 E C -0.026 176.407 176.600 -0.278 0.000 1.422 63 E CA 0.094 56.381 56.400 -0.189 0.000 1.534 63 E CB 0.171 29.813 29.700 -0.095 0.000 1.381 63 E HN 0.227 nan 8.360 nan 0.000 0.435 64 E N -1.099 118.901 120.200 -0.334 0.000 2.642 64 E HA 0.071 4.421 4.350 -0.000 0.000 0.206 64 E C 1.088 177.524 176.600 -0.272 0.000 0.939 64 E CA 0.488 56.668 56.400 -0.366 0.000 1.372 64 E CB 1.043 30.371 29.700 -0.620 0.000 1.334 64 E HN 0.376 nan 8.360 nan 0.000 0.709 65 G N 1.403 110.062 108.800 -0.236 0.000 2.205 65 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.261 65 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.261 65 G C 1.283 176.075 174.900 -0.180 0.000 0.980 65 G CA 0.764 45.758 45.100 -0.176 0.000 0.632 65 G HN 0.165 nan 8.290 nan 0.000 0.533 66 V N 0.929 120.698 119.914 -0.241 0.000 2.216 66 V HA 0.020 4.140 4.120 -0.000 0.000 0.243 66 V C 1.897 177.869 176.094 -0.203 0.000 1.044 66 V CA 1.883 64.054 62.300 -0.214 0.000 0.995 66 V CB -0.331 31.319 31.823 -0.288 0.000 0.633 66 V HN 0.626 nan 8.190 nan 0.000 0.446 67 I N 1.565 121.958 120.570 -0.295 0.000 2.281 67 I HA 0.178 4.348 4.170 -0.000 0.000 0.293 67 I C 1.090 177.089 176.117 -0.197 0.000 1.085 67 I CA 0.009 61.140 61.300 -0.281 0.000 1.257 67 I CB 0.699 38.389 38.000 -0.516 0.000 1.430 67 I HN 0.533 nan 8.210 nan 0.000 0.489 68 T N 3.655 118.137 114.554 -0.120 0.000 2.923 68 T HA 0.445 4.795 4.350 -0.000 0.000 0.180 68 T C 1.000 175.671 174.700 -0.048 0.000 0.706 68 T CA 0.502 62.551 62.100 -0.084 0.000 2.161 68 T CB 0.156 68.985 68.868 -0.065 0.000 2.518 68 T HN 0.527 nan 8.240 nan 0.000 0.399 69 A N -0.333 122.470 122.820 -0.028 0.000 2.377 69 A HA 0.499 4.819 4.320 -0.000 0.000 0.209 69 A C 1.666 179.253 177.584 0.004 0.000 1.359 69 A CA 0.115 52.148 52.037 -0.006 0.000 1.026 69 A CB 0.005 19.000 19.000 -0.007 0.000 1.224 69 A HN 0.426 nan 8.150 nan 0.000 0.528 70 K N 2.053 122.451 120.400 -0.003 0.000 2.469 70 K HA 0.091 4.411 4.320 -0.000 0.000 0.201 70 K C 0.070 176.679 176.600 0.015 0.000 1.028 70 K CA 0.772 57.061 56.287 0.005 0.000 1.170 70 K CB -0.652 31.846 32.500 -0.003 0.000 0.874 70 K HN 0.389 nan 8.250 nan 0.000 0.507 71 T N 0.047 114.614 114.554 0.021 0.000 3.016 71 T HA 0.312 4.662 4.350 -0.000 0.000 0.335 71 T C -2.197 172.550 174.700 0.079 0.000 1.176 71 T CA -1.829 60.298 62.100 0.045 0.000 0.987 71 T CB 1.005 69.888 68.868 0.026 0.000 1.073 71 T HN 0.024 nan 8.240 nan 0.000 0.547 72 P HA 0.352 nan 4.420 nan 0.000 0.228 72 P C -0.485 176.867 177.300 0.086 0.000 1.748 72 P CA -0.183 62.959 63.100 0.069 0.000 0.909 72 P CB -0.014 31.713 31.700 0.045 0.000 1.882 73 V N 1.048 121.047 119.914 0.142 0.000 3.036 73 V HA 0.443 4.563 4.120 -0.000 0.000 0.288 73 V C -1.413 174.849 176.094 0.280 0.000 1.407 73 V CA -0.775 61.619 62.300 0.157 0.000 0.983 73 V CB 2.776 34.687 31.823 0.146 0.000 1.128 73 V HN 0.360 nan 8.190 nan 0.000 0.439 74 K N 5.002 125.463 120.400 0.103 0.000 2.378 74 K HA 1.006 5.326 4.320 -0.000 0.000 0.244 74 K C -0.522 175.850 176.600 -0.379 0.000 1.039 74 K CA -0.420 55.771 56.287 -0.160 0.000 0.863 74 K CB 2.286 34.663 32.500 -0.206 0.000 1.326 74 K HN 1.120 nan 8.250 nan 0.000 0.460 75 A N 0.509 122.852 122.820 -0.796 0.000 2.295 75 A HA 0.708 5.028 4.320 -0.000 0.000 0.318 75 A C -0.587 176.817 177.584 -0.299 0.000 1.134 75 A CA -0.232 51.534 52.037 -0.453 0.000 0.827 75 A CB 0.545 19.267 19.000 -0.463 0.000 1.136 75 A HN 0.903 nan 8.150 nan 0.000 0.493 76 S N -0.809 114.788 115.700 -0.172 0.000 2.611 76 S HA 0.508 4.978 4.470 -0.000 0.000 0.268 76 S C -1.141 173.411 174.600 -0.080 0.000 1.156 76 S CA -0.693 57.434 58.200 -0.123 0.000 0.817 76 S CB 0.732 63.866 63.200 -0.111 0.000 1.122 76 S HN 0.996 nan 8.310 nan 0.000 0.466 77 V N 2.345 122.223 119.914 -0.060 0.000 2.387 77 V HA 0.505 4.625 4.120 -0.000 0.000 0.260 77 V C 0.384 176.458 176.094 -0.033 0.000 1.054 77 V CA -0.151 62.125 62.300 -0.039 0.000 0.967 77 V CB -0.069 31.736 31.823 -0.030 0.000 1.036 77 V HN 0.928 nan 8.190 nan 0.000 0.481 78 V N 1.973 121.871 119.914 -0.027 0.000 2.919 78 V HA 0.549 4.669 4.120 -0.000 0.000 0.316 78 V C 1.412 177.504 176.094 -0.003 0.000 1.077 78 V CA 0.093 62.381 62.300 -0.019 0.000 0.977 78 V CB 1.421 33.226 31.823 -0.029 0.000 1.039 78 V HN 0.771 nan 8.190 nan 0.000 0.441 79 T N -0.721 113.835 114.554 0.004 0.000 2.760 79 T HA -0.236 4.114 4.350 -0.000 0.000 0.269 79 T C 0.969 175.674 174.700 0.009 0.000 1.047 79 T CA 2.025 64.128 62.100 0.006 0.000 1.139 79 T CB -0.603 68.268 68.868 0.004 0.000 0.855 79 T HN 1.008 nan 8.240 nan 0.000 0.471 80 E N 1.653 121.861 120.200 0.013 0.000 2.335 80 E HA 0.416 4.766 4.350 -0.000 0.000 0.191 80 E C 1.342 177.960 176.600 0.031 0.000 1.077 80 E CA 0.325 56.734 56.400 0.014 0.000 1.010 80 E CB -0.414 29.283 29.700 -0.004 0.000 1.141 80 E HN 0.729 nan 8.360 nan 0.000 0.452 81 G N 0.949 109.763 108.800 0.023 0.000 3.110 81 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.238 81 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.238 81 G C -0.626 174.278 174.900 0.006 0.000 1.647 81 G CA -0.229 44.885 45.100 0.022 0.000 1.146 81 G HN 0.229 nan 8.290 nan 0.000 0.545 82 L N 1.111 122.339 121.223 0.008 0.000 2.370 82 L HA 0.793 5.133 4.340 -0.000 0.000 0.266 82 L C 0.630 177.501 176.870 0.001 0.000 1.002 82 L CA -0.167 54.668 54.840 -0.008 0.000 0.818 82 L CB 2.208 44.260 42.059 -0.012 0.000 1.325 82 L HN 1.241 nan 8.230 nan 0.000 0.418 83 G N 1.479 110.263 108.800 -0.026 0.000 2.721 83 G HA2 0.636 4.596 3.960 -0.000 0.000 0.296 83 G HA3 0.636 4.596 3.960 -0.000 0.000 0.296 83 G C -1.800 173.073 174.900 -0.045 0.000 1.383 83 G CA -0.718 44.361 45.100 -0.034 0.000 0.788 83 G HN 0.340 nan 8.290 nan 0.000 0.500 84 L N 0.904 122.096 121.223 -0.052 0.000 2.280 84 L HA 0.533 4.873 4.340 -0.000 0.000 0.287 84 L C -0.521 176.296 176.870 -0.089 0.000 1.023 84 L CA -0.909 53.916 54.840 -0.025 0.000 0.819 84 L CB 1.612 43.706 42.059 0.059 0.000 1.212 84 L HN 0.110 nan 8.230 nan 0.000 0.420 85 V N 3.122 122.987 119.914 -0.081 0.000 2.370 85 V HA 0.418 4.538 4.120 -0.000 0.000 0.283 85 V C 0.654 176.724 176.094 -0.040 0.000 1.023 85 V CA -0.703 61.546 62.300 -0.085 0.000 0.857 85 V CB 1.657 33.425 31.823 -0.092 0.000 0.985 85 V HN 0.877 nan 8.190 nan 0.000 0.443 86 A N 5.178 127.978 122.820 -0.032 0.000 2.566 86 A HA 0.248 4.568 4.320 -0.000 0.000 0.245 86 A C 0.977 178.563 177.584 0.004 0.000 1.056 86 A CA 0.211 52.247 52.037 -0.002 0.000 0.757 86 A CB 0.013 19.008 19.000 -0.007 0.000 0.979 86 A HN 0.935 nan 8.150 nan 0.000 0.508 87 L N 0.494 121.733 121.223 0.027 0.000 2.446 87 L HA 0.151 4.491 4.340 -0.000 0.000 0.219 87 L C 0.905 177.788 176.870 0.022 0.000 1.116 87 L CA 0.942 55.798 54.840 0.028 0.000 0.844 87 L CB -0.055 42.036 42.059 0.054 0.000 0.970 87 L HN 0.751 nan 8.230 nan 0.000 0.457 88 K N -1.224 119.189 120.400 0.021 0.000 2.555 88 K HA 0.272 4.592 4.320 -0.000 0.000 0.279 88 K C -1.338 175.270 176.600 0.013 0.000 0.986 88 K CA -0.739 55.558 56.287 0.016 0.000 0.880 88 K CB 1.362 33.874 32.500 0.020 0.000 1.474 88 K HN -0.279 nan 8.250 nan 0.000 0.433 89 D N 1.026 121.432 120.400 0.010 0.000 2.443 89 D HA 0.144 4.784 4.640 -0.000 0.000 0.234 89 D C -0.294 176.013 176.300 0.011 0.000 1.172 89 D CA 0.908 54.913 54.000 0.008 0.000 0.878 89 D CB 0.252 41.057 40.800 0.007 0.000 1.204 89 D HN 0.304 nan 8.370 nan 0.000 0.453 90 I N 0.589 121.165 120.570 0.010 0.000 2.569 90 I HA 0.199 4.369 4.170 -0.000 0.000 0.290 90 I C -0.131 175.994 176.117 0.013 0.000 1.088 90 I CA -0.746 60.562 61.300 0.013 0.000 1.047 90 I CB 2.055 40.063 38.000 0.013 0.000 1.237 90 I HN 0.188 nan 8.210 nan 0.000 0.421 91 S N 4.233 119.942 115.700 0.015 0.000 2.713 91 S HA 0.484 4.954 4.470 -0.000 0.000 0.283 91 S C -0.019 174.592 174.600 0.019 0.000 1.161 91 S CA -0.640 57.569 58.200 0.015 0.000 0.999 91 S CB 1.295 64.504 63.200 0.014 0.000 1.039 91 S HN 0.643 nan 8.310 nan 0.000 0.548 92 R N 1.708 122.221 120.500 0.020 0.000 2.583 92 R HA -0.001 4.339 4.340 -0.000 0.000 0.274 92 R C 0.394 176.714 176.300 0.032 0.000 0.998 92 R CA 0.921 57.037 56.100 0.026 0.000 1.081 92 R CB -0.285 30.030 30.300 0.025 0.000 0.940 92 R HN 0.819 nan 8.270 nan 0.000 0.413 93 N N 1.234 119.959 118.700 0.043 0.000 2.857 93 N HA -0.276 4.464 4.740 -0.000 0.000 0.242 93 N C -0.971 174.566 175.510 0.045 0.000 0.983 93 N CA 1.697 54.779 53.050 0.053 0.000 0.934 93 N CB -1.004 37.516 38.487 0.055 0.000 1.115 93 N HN 0.736 nan 8.380 nan 0.000 0.593 94 D N 0.940 121.360 120.400 0.034 0.000 2.434 94 D HA 0.166 4.806 4.640 -0.000 0.000 0.252 94 D C 0.103 176.422 176.300 0.032 0.000 1.185 94 D CA 0.045 54.062 54.000 0.028 0.000 0.886 94 D CB 0.706 41.520 40.800 0.024 0.000 1.148 94 D HN -0.038 nan 8.370 nan 0.000 0.483 95 V N 5.587 125.518 119.914 0.028 0.000 2.694 95 V HA -0.044 4.076 4.120 -0.000 0.000 0.306 95 V C 1.477 177.591 176.094 0.034 0.000 1.054 95 V CA 0.549 62.866 62.300 0.029 0.000 1.161 95 V CB 0.726 32.559 31.823 0.016 0.000 0.916 95 V HN 0.537 nan 8.190 nan 0.000 0.490 96 I N 4.382 124.978 120.570 0.044 0.000 3.194 96 I HA 0.243 4.413 4.170 -0.000 0.000 0.271 96 I C 0.082 176.240 176.117 0.068 0.000 1.150 96 I CA 0.500 61.835 61.300 0.059 0.000 1.440 96 I CB 0.219 38.261 38.000 0.070 0.000 1.276 96 I HN 0.562 nan 8.210 nan 0.000 0.457 97 L N -1.604 119.661 121.223 0.070 0.000 2.479 97 L HA 0.657 4.997 4.340 -0.000 0.000 0.255 97 L C -1.216 175.697 176.870 0.073 0.000 1.026 97 L CA -0.516 54.369 54.840 0.075 0.000 0.842 97 L CB 1.793 43.924 42.059 0.120 0.000 1.444 97 L HN -0.037 nan 8.230 nan 0.000 0.409 98 Q N 1.065 120.913 119.800 0.079 0.000 2.759 98 Q HA 0.523 4.863 4.340 -0.000 0.000 0.225 98 Q C -1.676 174.417 176.000 0.155 0.000 0.823 98 Q CA -0.443 55.428 55.803 0.113 0.000 0.828 98 Q CB 2.642 31.416 28.738 0.060 0.000 1.425 98 Q HN 0.625 nan 8.270 nan 0.000 0.449 99 V N 3.185 123.272 119.914 0.288 0.000 2.607 99 V HA 0.367 4.487 4.120 -0.000 0.000 0.289 99 V C -2.187 174.198 176.094 0.485 0.000 1.053 99 V CA -1.784 60.727 62.300 0.352 0.000 0.996 99 V CB 1.069 33.162 31.823 0.451 0.000 0.995 99 V HN 0.529 nan 8.190 nan 0.000 0.476 100 P HA 0.201 nan 4.420 nan 0.000 0.280 100 P C 0.484 177.328 177.300 -0.760 0.000 1.244 100 P CA -0.532 62.485 63.100 -0.139 0.000 0.784 100 P CB 0.636 32.257 31.700 -0.133 0.000 0.913 101 K N 3.496 123.190 120.400 -1.177 0.000 2.362 101 K HA -0.225 4.095 4.320 -0.000 0.000 0.202 101 K C 1.803 177.736 176.600 -1.112 0.000 1.045 101 K CA 1.082 56.091 56.287 -2.131 0.000 0.936 101 K CB -0.076 31.808 32.500 -1.026 0.000 0.747 101 K HN 0.252 nan 8.250 nan 0.000 0.467 102 R N 0.664 120.834 120.500 -0.549 0.000 2.200 102 R HA -0.112 4.228 4.340 -0.000 0.000 0.234 102 R C 1.029 177.303 176.300 -0.044 0.000 1.127 102 R CA 1.103 57.062 56.100 -0.234 0.000 0.989 102 R CB -0.023 30.171 30.300 -0.176 0.000 0.869 102 R HN 0.290 nan 8.270 nan 0.000 0.459 103 L N -0.054 121.188 121.223 0.032 0.000 2.910 103 L HA 0.252 4.591 4.340 -0.000 0.000 0.252 103 L C 0.360 177.869 176.870 1.065 0.000 1.195 103 L CA -0.577 54.614 54.840 0.586 0.000 1.003 103 L CB 0.055 42.399 42.059 0.475 0.000 1.328 103 L HN 0.162 nan 8.230 nan 0.000 0.540 104 W N 0.212 121.690 121.300 0.297 0.000 1.833 104 W HA 0.321 4.981 4.660 -0.000 0.000 0.390 104 W C 0.391 176.841 176.519 -0.115 0.000 1.680 104 W CA -0.737 56.633 57.345 0.043 0.000 1.828 104 W CB 0.942 30.394 29.460 -0.012 0.000 1.357 104 W HN -0.174 nan 8.180 nan 0.000 0.720 105 I N 2.474 123.063 120.570 0.031 0.000 2.878 105 I HA -0.023 4.147 4.170 -0.000 0.000 0.286 105 I C -0.526 175.502 176.117 -0.147 0.000 1.593 105 I CA -0.355 60.816 61.300 -0.215 0.000 0.806 105 I CB -0.276 37.530 38.000 -0.323 0.000 1.811 105 I HN 0.371 nan 8.210 nan 0.000 0.593 106 N N 2.002 120.647 118.700 -0.092 0.000 2.545 106 N HA 0.555 5.295 4.740 -0.000 0.000 0.289 106 N C -2.535 172.922 175.510 -0.089 0.000 1.279 106 N CA -1.798 51.225 53.050 -0.045 0.000 0.824 106 N CB 1.355 39.872 38.487 0.050 0.000 1.395 106 N HN -0.228 nan 8.380 nan 0.000 0.526 107 P HA -0.176 nan 4.420 nan 0.000 0.217 107 P C 0.501 177.776 177.300 -0.042 0.000 1.158 107 P CA 1.718 64.803 63.100 -0.026 0.000 0.887 107 P CB 0.148 31.861 31.700 0.022 0.000 0.792 108 D N -1.108 119.286 120.400 -0.010 0.000 2.149 108 D HA -0.133 4.507 4.640 -0.000 0.000 0.198 108 D C 1.919 178.196 176.300 -0.039 0.000 0.990 108 D CA 1.628 55.624 54.000 -0.007 0.000 0.839 108 D CB -0.606 40.208 40.800 0.022 0.000 0.948 108 D HN 0.140 nan 8.370 nan 0.000 0.460 109 A N 0.733 123.500 122.820 -0.088 0.000 2.014 109 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 109 A C 2.427 179.842 177.584 -0.282 0.000 1.163 109 A CA 1.357 53.315 52.037 -0.133 0.000 0.652 109 A CB -0.442 18.476 19.000 -0.137 0.000 0.808 109 A HN 0.240 nan 8.150 nan 0.000 0.449 110 V N -3.004 116.663 119.914 -0.411 0.000 2.649 110 V HA 0.149 4.269 4.120 -0.000 0.000 0.248 110 V C 2.339 178.454 176.094 0.035 0.000 1.054 110 V CA 1.523 63.656 62.300 -0.278 0.000 1.073 110 V CB -1.006 30.700 31.823 -0.195 0.000 0.699 110 V HN 0.418 nan 8.190 nan 0.000 0.463 111 A N 0.409 123.230 122.820 0.002 0.000 2.121 111 A HA 0.424 4.744 4.320 -0.000 0.000 0.218 111 A C 2.143 179.759 177.584 0.053 0.000 1.154 111 A CA 1.485 53.545 52.037 0.038 0.000 0.679 111 A CB -0.587 18.424 19.000 0.020 0.000 0.795 111 A HN 1.083 nan 8.150 nan 0.000 0.458 112 A N -0.190 122.665 122.820 0.058 0.000 2.430 112 A HA 0.479 4.799 4.320 -0.000 0.000 0.243 112 A C 1.125 178.783 177.584 0.124 0.000 1.254 112 A CA 0.587 52.666 52.037 0.071 0.000 0.914 112 A CB -0.335 18.694 19.000 0.047 0.000 0.998 112 A HN 0.600 nan 8.150 nan 0.000 0.515 113 S N -1.140 114.672 115.700 0.187 0.000 2.758 113 S HA 0.391 4.861 4.470 -0.000 0.000 0.292 113 S C 0.591 175.282 174.600 0.151 0.000 1.131 113 S CA -0.269 58.076 58.200 0.241 0.000 0.997 113 S CB 0.701 64.196 63.200 0.492 0.000 1.111 113 S HN 0.302 nan 8.310 nan 0.000 0.552 114 E N 0.327 120.589 120.200 0.103 0.000 2.171 114 E HA -0.153 4.197 4.350 -0.000 0.000 0.197 114 E C 1.529 178.157 176.600 0.046 0.000 0.997 114 E CA 1.600 58.026 56.400 0.043 0.000 0.810 114 E CB -0.616 29.075 29.700 -0.015 0.000 0.738 114 E HN 0.763 nan 8.360 nan 0.000 0.467 115 I N -3.048 117.571 120.570 0.083 0.000 3.793 115 I HA 0.243 4.413 4.170 -0.000 0.000 0.315 115 I C 1.893 178.103 176.117 0.156 0.000 1.275 115 I CA 0.231 61.602 61.300 0.119 0.000 1.214 115 I CB 0.018 38.118 38.000 0.167 0.000 1.018 115 I HN -0.119 nan 8.210 nan 0.000 0.439 116 G N 2.223 111.108 108.800 0.142 0.000 2.479 116 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.220 116 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.220 116 G C 1.763 176.713 174.900 0.083 0.000 1.115 116 G CA 0.409 45.578 45.100 0.115 0.000 0.757 116 G HN 0.352 nan 8.290 nan 0.000 0.560 117 R N 0.483 121.029 120.500 0.076 0.000 2.062 117 R HA -0.001 4.339 4.340 -0.000 0.000 0.226 117 R C 2.791 179.129 176.300 0.062 0.000 1.125 117 R CA 1.425 57.559 56.100 0.058 0.000 0.966 117 R CB -1.595 28.735 30.300 0.049 0.000 0.861 117 R HN 0.502 nan 8.270 nan 0.000 0.433 118 V N -0.733 119.232 119.914 0.084 0.000 2.594 118 V HA -0.117 4.003 4.120 -0.000 0.000 0.253 118 V C 1.879 178.019 176.094 0.077 0.000 1.069 118 V CA 1.264 63.617 62.300 0.090 0.000 1.082 118 V CB -0.927 30.982 31.823 0.143 0.000 0.680 118 V HN 0.197 nan 8.190 nan 0.000 0.469 119 C N 1.853 121.207 119.300 0.090 0.000 2.614 119 C HA 0.276 4.736 4.460 -0.000 0.000 0.299 119 C C 2.866 177.880 174.990 0.039 0.000 1.293 119 C CA 0.268 59.325 59.018 0.066 0.000 1.713 119 C CB -1.788 26.015 27.740 0.104 0.000 1.890 119 C HN 0.798 nan 8.230 nan 0.000 0.602 120 S N 1.780 117.502 115.700 0.037 0.000 2.402 120 S HA -0.203 4.267 4.470 -0.000 0.000 0.233 120 S C 1.005 175.611 174.600 0.011 0.000 1.030 120 S CA 1.505 59.721 58.200 0.026 0.000 1.003 120 S CB -0.307 62.908 63.200 0.025 0.000 0.813 120 S HN 0.808 nan 8.310 nan 0.000 0.477 121 E N 0.209 120.409 120.200 0.000 0.000 2.734 121 E HA 0.387 4.737 4.350 -0.000 0.000 0.211 121 E C -0.662 175.918 176.600 -0.033 0.000 0.991 121 E CA -0.245 56.148 56.400 -0.012 0.000 1.065 121 E CB 0.483 30.176 29.700 -0.011 0.000 1.047 121 E HN 0.448 nan 8.360 nan 0.000 0.470 122 L N 1.450 122.648 121.223 -0.042 0.000 2.399 122 L HA 0.282 4.622 4.340 -0.000 0.000 0.266 122 L C 0.537 177.349 176.870 -0.097 0.000 1.114 122 L CA -0.536 54.250 54.840 -0.090 0.000 0.804 122 L CB 0.899 42.901 42.059 -0.095 0.000 1.146 122 L HN -0.115 nan 8.230 nan 0.000 0.451 123 K N 3.387 123.684 120.400 -0.173 0.000 2.436 123 K HA 0.022 4.342 4.320 -0.000 0.000 0.275 123 K C -1.363 175.168 176.600 -0.115 0.000 0.999 123 K CA -1.102 55.097 56.287 -0.147 0.000 0.980 123 K CB 0.588 32.933 32.500 -0.258 0.000 0.919 123 K HN 0.370 nan 8.250 nan 0.000 0.484 124 P HA -0.248 nan 4.420 nan 0.000 0.219 124 P C 1.169 178.565 177.300 0.160 0.000 1.161 124 P CA 1.971 65.132 63.100 0.101 0.000 0.909 124 P CB -0.280 31.511 31.700 0.150 0.000 0.793 125 W N 0.482 121.805 121.300 0.040 0.000 2.388 125 W HA -0.033 4.627 4.660 -0.000 0.000 0.294 125 W C 2.049 178.608 176.519 0.066 0.000 1.212 125 W CA 0.266 57.645 57.345 0.057 0.000 1.271 125 W CB -1.921 27.588 29.460 0.081 0.000 1.126 125 W HN -0.134 nan 8.180 nan 0.000 0.535 126 L N 1.446 122.432 121.223 -0.395 0.000 2.131 126 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 126 L C 3.045 179.855 176.870 -0.100 0.000 1.092 126 L CA 1.789 56.375 54.840 -0.423 0.000 0.759 126 L CB -0.919 40.729 42.059 -0.686 0.000 0.903 126 L HN 0.020 nan 8.230 nan 0.000 0.435 127 S N -0.532 115.145 115.700 -0.038 0.000 2.355 127 S HA -0.118 4.352 4.470 -0.000 0.000 0.222 127 S C 1.913 176.610 174.600 0.163 0.000 1.031 127 S CA 1.089 59.326 58.200 0.062 0.000 0.993 127 S CB -0.013 63.213 63.200 0.043 0.000 0.859 127 S HN 0.190 nan 8.310 nan 0.000 0.453 128 V N 2.163 122.173 119.914 0.161 0.000 2.515 128 V HA -0.090 4.030 4.120 -0.000 0.000 0.250 128 V C 2.129 178.401 176.094 0.296 0.000 1.058 128 V CA 1.277 63.703 62.300 0.210 0.000 1.064 128 V CB -0.634 31.277 31.823 0.148 0.000 0.675 128 V HN 0.485 nan 8.190 nan 0.000 0.461 129 I N -0.289 120.446 120.570 0.275 0.000 2.163 129 I HA -0.285 3.885 4.170 -0.000 0.000 0.243 129 I C 2.370 178.699 176.117 0.354 0.000 1.085 129 I CA 1.797 63.291 61.300 0.323 0.000 1.347 129 I CB -0.319 37.867 38.000 0.310 0.000 1.044 129 I HN 0.277 nan 8.210 nan 0.000 0.408 130 L N -0.395 121.015 121.223 0.312 0.000 1.994 130 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 130 L C 2.613 179.712 176.870 0.381 0.000 1.071 130 L CA 1.429 56.463 54.840 0.323 0.000 0.745 130 L CB -0.725 41.493 42.059 0.264 0.000 0.892 130 L HN 0.142 nan 8.230 nan 0.000 0.431 131 F N 0.737 120.829 119.950 0.237 0.000 2.087 131 F HA -0.318 4.209 4.527 -0.000 0.000 0.299 131 F C 2.273 178.197 175.800 0.207 0.000 1.100 131 F CA 1.765 59.888 58.000 0.205 0.000 1.226 131 F CB -0.238 38.856 39.000 0.158 0.000 0.983 131 F HN -0.109 nan 8.300 nan 0.000 0.479 132 L N -0.236 121.242 121.223 0.425 0.000 2.017 132 L HA -0.259 4.081 4.340 -0.000 0.000 0.208 132 L C 2.450 179.504 176.870 0.306 0.000 1.073 132 L CA 1.552 56.651 54.840 0.431 0.000 0.745 132 L CB -0.648 41.706 42.059 0.490 0.000 0.894 132 L HN 0.200 nan 8.230 nan 0.000 0.432 133 I N -0.836 119.914 120.570 0.299 0.000 2.252 133 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 133 I C 2.810 178.907 176.117 -0.034 0.000 1.102 133 I CA 1.080 62.457 61.300 0.128 0.000 1.385 133 I CB -0.327 37.740 38.000 0.112 0.000 1.064 133 I HN 0.233 nan 8.210 nan 0.000 0.414 134 R N 1.104 121.620 120.500 0.026 0.000 2.070 134 R HA -0.174 4.166 4.340 -0.000 0.000 0.232 134 R C 2.252 178.417 176.300 -0.225 0.000 1.138 134 R CA 1.551 57.609 56.100 -0.070 0.000 0.936 134 R CB -0.085 30.162 30.300 -0.088 0.000 0.839 134 R HN 0.206 nan 8.270 nan 0.000 0.429 135 E N 0.369 120.382 120.200 -0.311 0.000 2.209 135 E HA -0.239 4.111 4.350 -0.000 0.000 0.196 135 E C 1.905 178.202 176.600 -0.505 0.000 0.993 135 E CA 0.843 57.077 56.400 -0.277 0.000 0.819 135 E CB -0.263 29.381 29.700 -0.094 0.000 0.745 135 E HN 0.356 nan 8.360 nan 0.000 0.477 136 R N 0.493 120.524 120.500 -0.783 0.000 2.189 136 R HA -0.044 4.296 4.340 -0.000 0.000 0.223 136 R C 1.876 177.892 176.300 -0.473 0.000 1.092 136 R CA 1.164 56.692 56.100 -0.954 0.000 0.989 136 R CB 0.192 30.009 30.300 -0.804 0.000 0.876 136 R HN 0.001 nan 8.270 nan 0.000 0.457 137 S N -0.134 115.372 115.700 -0.322 0.000 2.441 137 S HA 0.115 4.585 4.470 -0.000 0.000 0.224 137 S C 0.355 174.863 174.600 -0.153 0.000 1.043 137 S CA 0.015 58.091 58.200 -0.208 0.000 0.948 137 S CB 0.154 63.257 63.200 -0.161 0.000 0.810 137 S HN 0.270 nan 8.310 nan 0.000 0.504 138 R N 2.469 122.880 120.500 -0.149 0.000 2.446 138 R HA 0.059 4.399 4.340 -0.000 0.000 0.314 138 R C 0.439 176.697 176.300 -0.071 0.000 1.003 138 R CA 0.202 56.243 56.100 -0.099 0.000 1.018 138 R CB 0.094 30.344 30.300 -0.085 0.000 0.945 138 R HN 0.448 nan 8.270 nan 0.000 0.419 139 E N 1.685 121.849 120.200 -0.060 0.000 2.511 139 E HA -0.120 4.230 4.350 -0.000 0.000 0.196 139 E C 0.279 176.852 176.600 -0.044 0.000 1.066 139 E CA 0.615 56.987 56.400 -0.046 0.000 0.871 139 E CB 0.229 29.907 29.700 -0.037 0.000 0.863 139 E HN 0.603 nan 8.360 nan 0.000 0.520 140 D N -0.264 120.111 120.400 -0.042 0.000 2.501 140 D HA 0.004 4.643 4.640 -0.000 0.000 0.224 140 D C 0.305 176.581 176.300 -0.040 0.000 1.202 140 D CA -0.162 53.814 54.000 -0.040 0.000 0.829 140 D CB 0.169 40.951 40.800 -0.030 0.000 1.023 140 D HN -0.194 nan 8.370 nan 0.000 0.499 141 S N -0.076 115.610 115.700 -0.023 0.000 2.579 141 S HA 0.110 4.579 4.470 -0.000 0.000 0.275 141 S C 1.428 175.971 174.600 -0.096 0.000 1.345 141 S CA -0.513 57.705 58.200 0.030 0.000 1.031 141 S CB 1.264 64.583 63.200 0.198 0.000 0.892 141 S HN 0.046 nan 8.310 nan 0.000 0.529 142 V N 3.043 122.787 119.914 -0.284 0.000 3.380 142 V HA -0.001 4.119 4.120 -0.000 0.000 0.268 142 V C 0.413 176.052 176.094 -0.758 0.000 1.168 142 V CA 0.855 62.817 62.300 -0.564 0.000 1.156 142 V CB -1.044 30.284 31.823 -0.826 0.000 0.785 142 V HN 0.924 nan 8.190 nan 0.000 0.487 143 W N -1.026 120.292 121.300 0.031 0.000 2.599 143 W HA 0.435 5.094 4.660 -0.000 0.000 0.396 143 W C 1.613 178.128 176.519 -0.007 0.000 0.944 143 W CA -1.170 56.097 57.345 -0.129 0.000 2.042 143 W CB -0.298 29.179 29.460 0.028 0.000 1.184 143 W HN -0.054 nan 8.180 nan 0.000 0.604 144 K N 0.601 120.980 120.400 -0.036 0.000 2.089 144 K HA -0.268 4.052 4.320 -0.000 0.000 0.210 144 K C 1.593 178.160 176.600 -0.054 0.000 1.048 144 K CA 2.139 58.389 56.287 -0.061 0.000 0.926 144 K CB -0.099 32.194 32.500 -0.346 0.000 0.714 144 K HN 0.243 nan 8.250 nan 0.000 0.448 145 H N -1.516 117.507 119.070 -0.078 0.000 2.403 145 H HA -0.109 4.447 4.556 -0.000 0.000 0.298 145 H C 1.896 177.385 175.328 0.269 0.000 1.059 145 H CA 1.331 57.420 56.048 0.070 0.000 1.363 145 H CB -0.627 29.138 29.762 0.005 0.000 1.410 145 H HN 0.345 nan 8.280 nan 0.000 0.528 146 Y N 1.332 121.720 120.300 0.145 0.000 2.128 146 Y HA -0.246 4.304 4.550 -0.000 0.000 0.284 146 Y C 2.064 177.901 175.900 -0.104 0.000 1.154 146 Y CA 1.415 59.567 58.100 0.086 0.000 1.149 146 Y CB -0.895 37.572 38.460 0.012 0.000 0.976 146 Y HN -0.046 nan 8.280 nan 0.000 0.505 147 F N 0.014 120.020 119.950 0.095 0.000 2.216 147 F HA -0.050 4.477 4.527 -0.000 0.000 0.300 147 F C 2.564 178.343 175.800 -0.035 0.000 1.085 147 F CA 1.103 59.101 58.000 -0.004 0.000 1.326 147 F CB -0.842 38.235 39.000 0.128 0.000 1.027 147 F HN 0.151 nan 8.300 nan 0.000 0.497 148 G N -0.365 108.535 108.800 0.167 0.000 2.708 148 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.210 148 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.210 148 G C 1.423 176.338 174.900 0.025 0.000 1.141 148 G CA 0.456 45.621 45.100 0.109 0.000 0.788 148 G HN 0.232 nan 8.290 nan 0.000 0.531 149 I N 0.106 120.619 120.570 -0.095 0.000 3.445 149 I HA 0.262 4.432 4.170 -0.000 0.000 0.288 149 I C 1.266 177.276 176.117 -0.178 0.000 1.198 149 I CA -0.155 61.028 61.300 -0.194 0.000 1.417 149 I CB -0.654 37.063 38.000 -0.472 0.000 1.205 149 I HN 0.001 nan 8.210 nan 0.000 0.448 150 L N 3.550 124.643 121.223 -0.216 0.000 2.578 150 L HA -0.001 4.339 4.340 -0.000 0.000 0.279 150 L C -1.934 174.971 176.870 0.059 0.000 1.227 150 L CA -0.979 53.800 54.840 -0.101 0.000 0.900 150 L CB -0.593 41.468 42.059 0.003 0.000 1.144 150 L HN -0.047 nan 8.230 nan 0.000 0.496 151 P HA 0.071 nan 4.420 nan 0.000 0.271 151 P C 0.070 177.466 177.300 0.161 0.000 1.216 151 P CA -0.316 62.823 63.100 0.066 0.000 0.771 151 P CB 0.685 32.402 31.700 0.028 0.000 0.864 152 Q N 0.845 120.727 119.800 0.138 0.000 2.167 152 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 152 Q C 0.465 176.530 176.000 0.109 0.000 0.970 152 Q CA 1.348 57.274 55.803 0.206 0.000 0.855 152 Q CB 0.271 29.054 28.738 0.075 0.000 0.911 152 Q HN 0.607 nan 8.270 nan 0.000 0.438 153 E N -0.760 119.388 120.200 -0.088 0.000 2.433 153 E HA 0.294 4.644 4.350 -0.000 0.000 0.273 153 E C -1.024 175.436 176.600 -0.233 0.000 0.950 153 E CA -0.364 55.788 56.400 -0.414 0.000 0.796 153 E CB 2.203 31.668 29.700 -0.393 0.000 1.330 153 E HN 0.082 nan 8.360 nan 0.000 0.455 154 T N -2.437 111.971 114.554 -0.244 0.000 2.716 154 T HA 0.332 4.682 4.350 -0.000 0.000 0.286 154 T C -0.229 174.609 174.700 0.231 0.000 1.052 154 T CA -0.686 61.464 62.100 0.085 0.000 1.024 154 T CB 0.995 69.987 68.868 0.207 0.000 1.349 154 T HN 0.219 nan 8.240 nan 0.000 0.525 155 D N 1.002 121.587 120.400 0.309 0.000 2.325 155 D HA 0.201 4.841 4.640 -0.000 0.000 0.225 155 D C 0.793 177.441 176.300 0.581 0.000 1.096 155 D CA 0.154 54.419 54.000 0.440 0.000 0.844 155 D CB 0.189 41.202 40.800 0.354 0.000 0.925 155 D HN 0.532 nan 8.370 nan 0.000 0.513 156 S N 0.149 116.097 115.700 0.413 0.000 2.558 156 S HA -0.044 4.426 4.470 -0.000 0.000 0.287 156 S C 1.793 176.372 174.600 -0.034 0.000 1.321 156 S CA 0.201 58.494 58.200 0.154 0.000 1.048 156 S CB 0.846 64.105 63.200 0.099 0.000 0.844 156 S HN 0.317 nan 8.310 nan 0.000 0.512 157 T N 2.996 117.235 114.554 -0.525 0.000 2.977 157 T HA -0.119 4.231 4.350 -0.000 0.000 0.271 157 T C 1.688 176.081 174.700 -0.511 0.000 1.105 157 T CA 1.282 62.706 62.100 -1.126 0.000 1.116 157 T CB -0.888 67.346 68.868 -1.057 0.000 0.878 157 T HN 0.817 nan 8.240 nan 0.000 0.509 158 I N -2.780 117.582 120.570 -0.347 0.000 3.241 158 I HA 0.093 4.263 4.170 -0.000 0.000 0.280 158 I C 1.140 176.978 176.117 -0.464 0.000 1.320 158 I CA 0.762 61.834 61.300 -0.381 0.000 1.413 158 I CB -0.607 37.188 38.000 -0.343 0.000 1.060 158 I HN 0.127 nan 8.210 nan 0.000 0.500 159 Y N -1.113 119.232 120.300 0.075 0.000 2.471 159 Y HA 0.277 4.827 4.550 -0.000 0.000 0.249 159 Y C 0.581 176.636 175.900 0.259 0.000 1.116 159 Y CA -1.060 57.126 58.100 0.143 0.000 1.240 159 Y CB 0.078 38.656 38.460 0.196 0.000 1.251 159 Y HN 0.078 nan 8.280 nan 0.000 0.527 160 W N 2.627 123.980 121.300 0.088 0.000 2.209 160 W HA 0.184 4.844 4.660 -0.000 0.000 0.344 160 W C 1.078 177.608 176.519 0.018 0.000 1.285 160 W CA -0.697 56.679 57.345 0.053 0.000 1.267 160 W CB 0.214 29.692 29.460 0.030 0.000 1.167 160 W HN -0.032 nan 8.180 nan 0.000 0.574 161 S N 0.725 116.547 115.700 0.204 0.000 2.634 161 S HA 0.081 4.551 4.470 -0.000 0.000 0.261 161 S C 1.008 175.674 174.600 0.110 0.000 1.271 161 S CA -0.180 58.084 58.200 0.107 0.000 0.985 161 S CB 1.150 64.376 63.200 0.044 0.000 0.968 161 S HN 0.482 nan 8.310 nan 0.000 0.568 162 E N 0.565 120.802 120.200 0.062 0.000 2.150 162 E HA -0.083 4.267 4.350 -0.000 0.000 0.193 162 E C 1.622 178.249 176.600 0.045 0.000 0.985 162 E CA 1.555 57.984 56.400 0.050 0.000 0.814 162 E CB -0.365 29.349 29.700 0.023 0.000 0.752 162 E HN 0.770 nan 8.360 nan 0.000 0.466 163 E N 0.408 120.625 120.200 0.028 0.000 2.046 163 E HA -0.126 4.224 4.350 -0.000 0.000 0.190 163 E C 2.002 178.615 176.600 0.022 0.000 0.982 163 E CA 1.332 57.737 56.400 0.009 0.000 0.800 163 E CB -0.239 29.456 29.700 -0.009 0.000 0.756 163 E HN 0.348 nan 8.360 nan 0.000 0.449 164 E N 0.611 120.822 120.200 0.018 0.000 2.097 164 E HA -0.184 4.166 4.350 -0.000 0.000 0.196 164 E C 2.011 178.749 176.600 0.230 0.000 1.000 164 E CA 0.951 57.341 56.400 -0.017 0.000 0.804 164 E CB -0.207 29.384 29.700 -0.182 0.000 0.740 164 E HN 0.207 nan 8.360 nan 0.000 0.454 165 L N 0.736 122.142 121.223 0.305 0.000 2.201 165 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 165 L C 2.360 179.331 176.870 0.169 0.000 1.105 165 L CA 0.918 55.943 54.840 0.308 0.000 0.775 165 L CB -0.245 41.919 42.059 0.174 0.000 0.913 165 L HN 0.166 nan 8.230 nan 0.000 0.440 166 Q N -0.409 119.443 119.800 0.087 0.000 2.291 166 Q HA -0.235 4.105 4.340 -0.000 0.000 0.206 166 Q C 1.772 177.767 176.000 -0.009 0.000 0.976 166 Q CA 0.985 56.784 55.803 -0.006 0.000 0.875 166 Q CB 0.043 28.744 28.738 -0.062 0.000 0.927 166 Q HN 0.308 nan 8.270 nan 0.000 0.450 167 E N 0.326 120.597 120.200 0.119 0.000 2.418 167 E HA -0.034 4.316 4.350 -0.000 0.000 0.197 167 E C 0.824 177.624 176.600 0.333 0.000 1.026 167 E CA 0.527 57.074 56.400 0.245 0.000 0.862 167 E CB 0.235 30.057 29.700 0.202 0.000 0.799 167 E HN 0.272 nan 8.360 nan 0.000 0.518 168 L N 0.571 121.951 121.223 0.261 0.000 2.700 168 L HA 0.186 4.526 4.340 -0.000 0.000 0.234 168 L C 0.605 177.553 176.870 0.129 0.000 1.156 168 L CA -0.281 54.688 54.840 0.215 0.000 0.946 168 L CB 0.040 42.192 42.059 0.154 0.000 1.216 168 L HN 0.104 nan 8.230 nan 0.000 0.493 169 Q N 1.038 120.909 119.800 0.118 0.000 2.308 169 Q HA -0.020 4.320 4.340 -0.000 0.000 0.313 169 Q C 1.218 177.171 176.000 -0.079 0.000 1.075 169 Q CA 1.225 57.042 55.803 0.023 0.000 0.995 169 Q CB 0.376 29.110 28.738 -0.006 0.000 1.107 169 Q HN 0.448 nan 8.270 nan 0.000 0.380 170 G N 2.734 111.419 108.800 -0.192 0.000 2.179 170 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.260 170 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.260 170 G C 0.061 174.611 174.900 -0.583 0.000 0.977 170 G CA 0.429 45.270 45.100 -0.431 0.000 0.641 170 G HN 1.102 nan 8.290 nan 0.000 0.533 171 S N -0.516 115.015 115.700 -0.282 0.000 2.584 171 S HA 0.536 5.006 4.470 -0.000 0.000 0.273 171 S C 1.130 175.700 174.600 -0.050 0.000 1.311 171 S CA 0.642 58.820 58.200 -0.037 0.000 1.034 171 S CB 1.933 65.205 63.200 0.119 0.000 0.939 171 S HN 0.491 nan 8.310 nan 0.000 0.513 172 Q N 0.471 120.243 119.800 -0.048 0.000 2.170 172 Q HA -0.110 4.230 4.340 -0.000 0.000 0.203 172 Q C 1.782 177.681 176.000 -0.168 0.000 0.976 172 Q CA 1.227 56.912 55.803 -0.196 0.000 0.858 172 Q CB -0.265 28.161 28.738 -0.520 0.000 0.907 172 Q HN 0.847 nan 8.270 nan 0.000 0.433 173 L N 0.479 121.624 121.223 -0.131 0.000 2.083 173 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 173 L C 2.049 178.826 176.870 -0.155 0.000 1.083 173 L CA 1.340 56.091 54.840 -0.148 0.000 0.752 173 L CB -0.685 41.296 42.059 -0.130 0.000 0.899 173 L HN 0.355 nan 8.230 nan 0.000 0.433 174 L N -0.134 121.019 121.223 -0.116 0.000 1.989 174 L HA -0.234 4.106 4.340 -0.000 0.000 0.211 174 L C 2.473 179.278 176.870 -0.109 0.000 1.071 174 L CA 1.920 56.694 54.840 -0.110 0.000 0.749 174 L CB -0.934 41.086 42.059 -0.065 0.000 0.890 174 L HN 0.297 nan 8.230 nan 0.000 0.431 175 K N -1.151 119.190 120.400 -0.100 0.000 2.001 175 K HA -0.206 4.114 4.320 -0.000 0.000 0.214 175 K C 1.892 178.429 176.600 -0.106 0.000 1.050 175 K CA 2.282 58.515 56.287 -0.090 0.000 0.934 175 K CB -0.884 31.564 32.500 -0.086 0.000 0.718 175 K HN 0.404 nan 8.250 nan 0.000 0.443 176 T N 0.973 115.446 114.554 -0.133 0.000 2.699 176 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 176 T C 2.189 176.808 174.700 -0.136 0.000 1.036 176 T CA 2.224 64.236 62.100 -0.146 0.000 1.147 176 T CB -0.649 68.114 68.868 -0.174 0.000 0.862 176 T HN 0.587 nan 8.240 nan 0.000 0.446 177 T N 0.838 115.301 114.554 -0.153 0.000 2.708 177 T HA -0.097 4.253 4.350 -0.000 0.000 0.266 177 T C 2.040 176.678 174.700 -0.104 0.000 1.037 177 T CA 1.299 63.306 62.100 -0.155 0.000 1.146 177 T CB -1.029 67.699 68.868 -0.233 0.000 0.865 177 T HN 0.200 nan 8.240 nan 0.000 0.435 178 V N 2.099 121.957 119.914 -0.092 0.000 2.231 178 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 178 V C 3.135 179.210 176.094 -0.031 0.000 1.054 178 V CA 2.370 64.636 62.300 -0.057 0.000 1.015 178 V CB -1.280 30.513 31.823 -0.049 0.000 0.638 178 V HN 0.583 nan 8.190 nan 0.000 0.444 179 S N -0.092 115.583 115.700 -0.042 0.000 2.378 179 S HA -0.245 4.225 4.470 -0.000 0.000 0.229 179 S C 1.973 176.570 174.600 -0.006 0.000 1.052 179 S CA 1.910 60.092 58.200 -0.029 0.000 1.084 179 S CB -0.532 62.629 63.200 -0.066 0.000 0.950 179 S HN 0.381 nan 8.310 nan 0.000 0.440 180 V N 1.847 121.742 119.914 -0.033 0.000 2.332 180 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 180 V C 2.335 178.447 176.094 0.030 0.000 1.055 180 V CA 1.729 64.020 62.300 -0.015 0.000 1.038 180 V CB -0.620 31.191 31.823 -0.021 0.000 0.651 180 V HN 0.419 nan 8.190 nan 0.000 0.450 181 K N -0.182 120.259 120.400 0.068 0.000 2.032 181 K HA -0.263 4.057 4.320 -0.000 0.000 0.209 181 K C 2.262 178.980 176.600 0.197 0.000 1.048 181 K CA 2.027 58.439 56.287 0.208 0.000 0.927 181 K CB -0.220 32.316 32.500 0.059 0.000 0.712 181 K HN 0.559 nan 8.250 nan 0.000 0.441 182 E N 0.066 120.326 120.200 0.100 0.000 2.023 182 E HA -0.267 4.083 4.350 -0.000 0.000 0.196 182 E C 1.961 178.588 176.600 0.046 0.000 1.003 182 E CA 1.475 57.919 56.400 0.074 0.000 0.809 182 E CB -0.242 29.489 29.700 0.053 0.000 0.755 182 E HN 0.261 nan 8.360 nan 0.000 0.449 183 Y N 1.062 121.324 120.300 -0.063 0.000 1.993 183 Y HA -0.347 4.203 4.550 -0.000 0.000 0.267 183 Y C 2.244 178.063 175.900 -0.135 0.000 1.155 183 Y CA 2.086 60.138 58.100 -0.081 0.000 1.105 183 Y CB -0.838 37.576 38.460 -0.077 0.000 0.960 183 Y HN -0.049 nan 8.280 nan 0.000 0.486 184 V N 1.030 120.833 119.914 -0.185 0.000 2.363 184 V HA -0.418 3.702 4.120 -0.000 0.000 0.254 184 V C 2.454 178.236 176.094 -0.522 0.000 1.074 184 V CA 2.437 64.458 62.300 -0.465 0.000 1.069 184 V CB -0.887 30.406 31.823 -0.884 0.000 0.659 184 V HN 0.438 nan 8.190 nan 0.000 0.455 185 K N 0.211 120.418 120.400 -0.321 0.000 1.991 185 K HA -0.241 4.079 4.320 -0.000 0.000 0.212 185 K C 2.098 178.533 176.600 -0.275 0.000 1.049 185 K CA 2.063 58.224 56.287 -0.211 0.000 0.932 185 K CB -0.239 32.272 32.500 0.019 0.000 0.717 185 K HN 0.523 nan 8.250 nan 0.000 0.441 186 N N 1.284 119.832 118.700 -0.254 0.000 2.000 186 N HA -0.196 4.544 4.740 -0.000 0.000 0.198 186 N C 1.604 176.887 175.510 -0.377 0.000 1.057 186 N CA 1.525 54.416 53.050 -0.264 0.000 0.858 186 N CB -0.742 37.605 38.487 -0.234 0.000 1.057 186 N HN 0.281 nan 8.380 nan 0.000 0.423 187 E N 0.476 120.359 120.200 -0.528 0.000 2.208 187 E HA -0.178 4.172 4.350 -0.000 0.000 0.202 187 E C 2.087 178.330 176.600 -0.594 0.000 1.014 187 E CA 0.787 56.835 56.400 -0.587 0.000 0.819 187 E CB -0.529 28.721 29.700 -0.751 0.000 0.735 187 E HN 0.407 nan 8.360 nan 0.000 0.469 188 C N 0.039 118.930 119.300 -0.682 0.000 2.485 188 C HA 0.064 4.524 4.460 -0.000 0.000 0.278 188 C C 2.762 177.299 174.990 -0.756 0.000 1.356 188 C CA -0.093 58.297 59.018 -1.046 0.000 1.747 188 C CB -0.813 26.016 27.740 -1.518 0.000 2.001 188 C HN 0.350 nan 8.230 nan 0.000 0.501 189 L N 0.446 121.426 121.223 -0.404 0.000 2.179 189 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 189 L C 2.470 179.240 176.870 -0.166 0.000 1.096 189 L CA 1.315 56.047 54.840 -0.180 0.000 0.779 189 L CB -0.533 41.459 42.059 -0.112 0.000 0.922 189 L HN 0.337 nan 8.230 nan 0.000 0.443 190 K N 0.143 120.411 120.400 -0.221 0.000 2.211 190 K HA -0.102 4.218 4.320 -0.000 0.000 0.203 190 K C 2.075 178.566 176.600 -0.181 0.000 1.050 190 K CA 0.911 57.089 56.287 -0.181 0.000 0.945 190 K CB -0.028 32.352 32.500 -0.199 0.000 0.732 190 K HN 0.267 nan 8.250 nan 0.000 0.451 191 L N 0.846 121.923 121.223 -0.242 0.000 2.056 191 L HA -0.173 4.167 4.340 -0.000 0.000 0.207 191 L C 2.614 179.410 176.870 -0.123 0.000 1.078 191 L CA 1.211 55.927 54.840 -0.207 0.000 0.749 191 L CB -0.260 41.629 42.059 -0.283 0.000 0.901 191 L HN 0.287 nan 8.230 nan 0.000 0.433 192 E N 0.064 120.230 120.200 -0.057 0.000 2.038 192 E HA -0.286 4.064 4.350 -0.000 0.000 0.195 192 E C 2.044 178.611 176.600 -0.055 0.000 1.000 192 E CA 1.466 57.858 56.400 -0.013 0.000 0.803 192 E CB 0.025 29.765 29.700 0.067 0.000 0.750 192 E HN 0.505 nan 8.360 nan 0.000 0.448 193 Q N -0.646 119.122 119.800 -0.054 0.000 2.436 193 Q HA -0.082 4.258 4.340 -0.000 0.000 0.209 193 Q C 1.274 177.243 176.000 -0.051 0.000 0.965 193 Q CA 0.767 56.542 55.803 -0.047 0.000 0.910 193 Q CB 0.297 29.009 28.738 -0.045 0.000 0.980 193 Q HN 0.390 nan 8.270 nan 0.000 0.491 194 E N -0.981 119.178 120.200 -0.069 0.000 2.434 194 E HA 0.060 4.410 4.350 -0.000 0.000 0.207 194 E C 0.689 177.258 176.600 -0.052 0.000 0.929 194 E CA 0.222 56.586 56.400 -0.060 0.000 1.001 194 E CB 0.734 30.389 29.700 -0.074 0.000 1.016 194 E HN 0.168 nan 8.360 nan 0.000 0.502 195 I N -0.618 119.904 120.570 -0.080 0.000 4.578 195 I HA 0.044 4.214 4.170 -0.000 0.000 0.312 195 I C 1.641 177.669 176.117 -0.147 0.000 1.224 195 I CA 0.221 61.477 61.300 -0.073 0.000 1.318 195 I CB 0.395 38.345 38.000 -0.084 0.000 1.388 195 I HN -0.039 nan 8.210 nan 0.000 0.461 196 I N 0.230 120.632 120.570 -0.280 0.000 2.235 196 I HA -0.154 4.016 4.170 -0.000 0.000 0.241 196 I C 2.236 178.301 176.117 -0.086 0.000 1.085 196 I CA 1.329 62.379 61.300 -0.416 0.000 1.378 196 I CB -0.230 37.512 38.000 -0.430 0.000 1.076 196 I HN 0.092 nan 8.210 nan 0.000 0.415 197 L N 0.529 121.721 121.223 -0.052 0.000 2.027 197 L HA -0.109 4.231 4.340 -0.000 0.000 0.206 197 L C -0.132 176.754 176.870 0.025 0.000 1.074 197 L CA 1.511 56.349 54.840 -0.003 0.000 0.745 197 L CB -2.017 40.035 42.059 -0.011 0.000 0.898 197 L HN 0.169 nan 8.230 nan 0.000 0.433 198 P HA -0.161 nan 4.420 nan 0.000 0.210 198 P C 0.203 177.544 177.300 0.067 0.000 1.185 198 P CA 1.260 64.380 63.100 0.035 0.000 0.924 198 P CB -0.079 31.637 31.700 0.027 0.000 0.786 199 N N 0.988 119.757 118.700 0.115 0.000 3.210 199 N HA -0.028 4.712 4.740 -0.000 0.000 0.314 199 N C 0.778 176.404 175.510 0.193 0.000 1.291 199 N CA 0.194 53.339 53.050 0.158 0.000 1.202 199 N CB -0.259 38.367 38.487 0.232 0.000 1.475 199 N HN 0.453 nan 8.380 nan 0.000 0.554 200 K N -0.405 120.067 120.400 0.120 0.000 2.585 200 K HA -0.118 4.202 4.320 -0.000 0.000 0.194 200 K C 1.511 178.154 176.600 0.071 0.000 1.037 200 K CA 0.539 56.889 56.287 0.105 0.000 0.964 200 K CB 0.274 32.809 32.500 0.059 0.000 0.787 200 K HN 0.204 nan 8.250 nan 0.000 0.488 201 R N 0.960 121.492 120.500 0.052 0.000 2.128 201 R HA 0.120 4.460 4.340 -0.000 0.000 0.211 201 R C 1.853 178.114 176.300 -0.066 0.000 1.067 201 R CA 0.261 56.359 56.100 -0.002 0.000 1.010 201 R CB 0.074 30.371 30.300 -0.004 0.000 0.922 201 R HN 0.225 nan 8.270 nan 0.000 0.457 202 L N -0.169 120.983 121.223 -0.118 0.000 2.375 202 L HA 0.146 4.486 4.340 -0.000 0.000 0.215 202 L C -0.061 176.398 176.870 -0.685 0.000 1.108 202 L CA 0.417 55.011 54.840 -0.411 0.000 0.830 202 L CB 0.329 42.063 42.059 -0.542 0.000 0.959 202 L HN 0.035 nan 8.230 nan 0.000 0.457 203 F N -0.859 119.079 119.950 -0.020 0.000 2.449 203 F HA 0.332 4.859 4.527 -0.000 0.000 0.344 203 F C -1.714 174.063 175.800 -0.037 0.000 1.180 203 F CA -1.773 56.207 58.000 -0.034 0.000 1.209 203 F CB 0.380 39.365 39.000 -0.026 0.000 1.440 203 F HN -0.218 nan 8.300 nan 0.000 0.526 204 P HA -0.106 nan 4.420 nan 0.000 0.215 204 P C -0.104 177.209 177.300 0.022 0.000 1.157 204 P CA 1.384 64.495 63.100 0.019 0.000 0.868 204 P CB 0.258 31.945 31.700 -0.021 0.000 0.788 205 D N -0.539 119.869 120.400 0.014 0.000 2.312 205 D HA 0.228 4.868 4.640 -0.000 0.000 0.248 205 D C -2.045 174.252 176.300 -0.005 0.000 1.086 205 D CA -1.311 52.684 54.000 -0.009 0.000 0.948 205 D CB -0.349 40.428 40.800 -0.039 0.000 1.162 205 D HN 0.019 nan 8.370 nan 0.000 0.446 206 P HA 0.182 nan 4.420 nan 0.000 0.274 206 P C -0.758 176.485 177.300 -0.095 0.000 1.260 206 P CA -0.446 62.627 63.100 -0.046 0.000 0.793 206 P CB 0.658 32.333 31.700 -0.041 0.000 1.048 207 V N 0.056 119.889 119.914 -0.135 0.000 2.462 207 V HA 0.300 4.420 4.120 -0.000 0.000 0.288 207 V C 0.275 176.209 176.094 -0.267 0.000 1.020 207 V CA -0.594 61.540 62.300 -0.277 0.000 0.857 207 V CB 1.128 32.700 31.823 -0.418 0.000 1.013 207 V HN 0.736 nan 8.190 nan 0.000 0.431 208 T N 1.924 116.348 114.554 -0.216 0.000 2.881 208 T HA 0.564 4.914 4.350 -0.000 0.000 0.278 208 T C 1.277 175.967 174.700 -0.017 0.000 0.982 208 T CA -0.592 61.465 62.100 -0.072 0.000 0.989 208 T CB 1.276 70.137 68.868 -0.011 0.000 1.058 208 T HN 0.272 nan 8.240 nan 0.000 0.529 209 L N 0.247 121.592 121.223 0.203 0.000 2.042 209 L HA -0.103 4.237 4.340 -0.000 0.000 0.210 209 L C 2.473 179.624 176.870 0.470 0.000 1.076 209 L CA 1.621 56.717 54.840 0.425 0.000 0.749 209 L CB -0.756 41.562 42.059 0.431 0.000 0.893 209 L HN 0.723 nan 8.230 nan 0.000 0.432 210 D N 0.289 120.886 120.400 0.327 0.000 2.126 210 D HA -0.230 4.410 4.640 -0.000 0.000 0.190 210 D C 1.800 178.323 176.300 0.372 0.000 1.001 210 D CA 1.578 55.782 54.000 0.340 0.000 0.841 210 D CB -0.228 40.684 40.800 0.187 0.000 0.949 210 D HN 0.342 nan 8.370 nan 0.000 0.446 211 D N -0.649 119.853 120.400 0.169 0.000 2.144 211 D HA -0.149 4.491 4.640 -0.000 0.000 0.199 211 D C 2.170 178.664 176.300 0.324 0.000 0.984 211 D CA 0.618 54.693 54.000 0.125 0.000 0.834 211 D CB -0.436 40.266 40.800 -0.163 0.000 0.955 211 D HN 0.325 nan 8.370 nan 0.000 0.465 212 F N 0.162 120.265 119.950 0.254 0.000 2.075 212 F HA -0.148 4.379 4.527 -0.000 0.000 0.297 212 F C 2.339 178.241 175.800 0.170 0.000 1.113 212 F CA 0.616 58.701 58.000 0.141 0.000 1.218 212 F CB -0.325 38.640 39.000 -0.058 0.000 0.984 212 F HN -0.145 nan 8.300 nan 0.000 0.472 213 F N -1.187 119.047 119.950 0.473 0.000 2.216 213 F HA -0.238 4.289 4.527 -0.000 0.000 0.300 213 F C 2.143 178.249 175.800 0.510 0.000 1.085 213 F CA 1.317 59.555 58.000 0.395 0.000 1.326 213 F CB -0.797 38.359 39.000 0.261 0.000 1.027 213 F HN 0.098 nan 8.300 nan 0.000 0.497 214 W N 1.162 122.785 121.300 0.538 0.000 2.315 214 W HA -0.311 4.349 4.660 -0.000 0.000 0.323 214 W C 2.437 179.171 176.519 0.358 0.000 1.233 214 W CA 2.549 60.149 57.345 0.424 0.000 1.267 214 W CB -0.810 28.802 29.460 0.254 0.000 1.160 214 W HN -0.058 nan 8.180 nan 0.000 0.474 215 A N -0.423 122.581 122.820 0.307 0.000 1.933 215 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 215 A C 1.961 179.589 177.584 0.073 0.000 1.175 215 A CA 1.565 53.599 52.037 -0.005 0.000 0.628 215 A CB -1.451 17.779 19.000 0.383 0.000 0.814 215 A HN 0.533 nan 8.150 nan 0.000 0.444 216 F N 1.176 121.175 119.950 0.081 0.000 2.102 216 F HA 0.007 4.534 4.527 -0.000 0.000 0.298 216 F C 2.291 178.077 175.800 -0.023 0.000 1.105 216 F CA 1.393 59.416 58.000 0.038 0.000 1.239 216 F CB -0.884 38.118 39.000 0.002 0.000 0.991 216 F HN 0.189 nan 8.300 nan 0.000 0.474 217 G N 1.401 110.203 108.800 0.003 0.000 2.480 217 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.216 217 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.216 217 G C 1.715 176.503 174.900 -0.188 0.000 1.200 217 G CA 1.106 46.165 45.100 -0.069 0.000 0.782 217 G HN 0.342 nan 8.290 nan 0.000 0.554 218 I N 0.534 120.949 120.570 -0.259 0.000 2.185 218 I HA -0.164 4.006 4.170 -0.000 0.000 0.246 218 I C 2.711 178.692 176.117 -0.226 0.000 1.088 218 I CA 1.037 62.146 61.300 -0.319 0.000 1.347 218 I CB -1.128 36.511 38.000 -0.601 0.000 1.041 218 I HN 0.139 nan 8.210 nan 0.000 0.415 219 L N 0.816 121.903 121.223 -0.227 0.000 2.027 219 L HA -0.155 4.185 4.340 -0.000 0.000 0.206 219 L C 2.726 179.428 176.870 -0.279 0.000 1.074 219 L CA 1.812 56.538 54.840 -0.191 0.000 0.745 219 L CB -0.703 41.289 42.059 -0.113 0.000 0.898 219 L HN 0.129 nan 8.230 nan 0.000 0.433 220 R N -1.206 119.023 120.500 -0.451 0.000 2.276 220 R HA -0.036 4.304 4.340 -0.000 0.000 0.203 220 R C 1.701 177.754 176.300 -0.413 0.000 1.017 220 R CA 1.067 56.855 56.100 -0.519 0.000 1.010 220 R CB 0.008 29.814 30.300 -0.824 0.000 0.900 220 R HN 0.597 nan 8.270 nan 0.000 0.469 221 S N -1.807 113.744 115.700 -0.248 0.000 2.540 221 S HA 0.224 4.694 4.470 -0.000 0.000 0.222 221 S C 1.394 176.011 174.600 0.028 0.000 1.008 221 S CA -0.684 57.507 58.200 -0.014 0.000 0.939 221 S CB 0.517 63.768 63.200 0.084 0.000 0.865 221 S HN 0.273 nan 8.310 nan 0.000 0.499 222 R N 0.718 121.144 120.500 -0.124 0.000 2.320 222 R HA 0.507 4.847 4.340 -0.000 0.000 0.193 222 R C 0.966 177.071 176.300 -0.325 0.000 0.885 222 R CA 0.517 56.509 56.100 -0.179 0.000 1.085 222 R CB -0.105 30.151 30.300 -0.075 0.000 1.253 222 R HN 0.353 nan 8.270 nan 0.000 0.636 223 A N 1.396 124.081 122.820 -0.226 0.000 2.475 223 A HA 0.218 4.538 4.320 -0.000 0.000 0.239 223 A C -0.654 176.753 177.584 -0.294 0.000 1.087 223 A CA 0.401 52.341 52.037 -0.162 0.000 0.779 223 A CB -0.037 18.904 19.000 -0.098 0.000 1.036 223 A HN 0.127 nan 8.150 nan 0.000 0.506 224 F N 0.796 120.661 119.950 -0.141 0.000 2.411 224 F HA 0.359 4.886 4.527 -0.000 0.000 0.352 224 F C 1.342 177.116 175.800 -0.043 0.000 1.123 224 F CA -0.128 57.833 58.000 -0.066 0.000 1.044 224 F CB 1.735 40.738 39.000 0.005 0.000 1.135 224 F HN 0.577 nan 8.300 nan 0.000 0.461 225 S N 2.071 117.831 115.700 0.100 0.000 2.341 225 S HA 0.040 4.510 4.470 -0.000 0.000 0.204 225 S C 0.730 175.384 174.600 0.089 0.000 1.038 225 S CA 0.233 58.467 58.200 0.057 0.000 1.013 225 S CB -0.169 63.037 63.200 0.009 0.000 0.994 225 S HN 0.495 nan 8.310 nan 0.000 0.430 226 R N 1.514 122.063 120.500 0.080 0.000 2.486 226 R HA 0.156 4.496 4.340 -0.000 0.000 0.303 226 R C -0.702 175.654 176.300 0.093 0.000 0.958 226 R CA 0.307 56.445 56.100 0.064 0.000 1.077 226 R CB -0.040 30.277 30.300 0.030 0.000 0.921 226 R HN 0.190 nan 8.270 nan 0.000 0.406 232 L N 2.234 123.479 121.223 0.038 0.000 2.701 232 L HA 0.516 4.855 4.340 -0.000 0.000 0.237 232 L C -0.677 176.186 176.870 -0.010 0.000 1.204 232 L CA -0.525 54.325 54.840 0.016 0.000 1.109 232 L CB 0.935 43.012 42.059 0.030 0.000 1.409 232 L HN -0.042 nan 8.230 nan 0.000 0.428 233 V N 0.513 120.400 119.914 -0.044 0.000 2.785 233 V HA 0.536 4.656 4.120 -0.000 0.000 0.300 233 V C 0.278 176.261 176.094 -0.184 0.000 1.062 233 V CA -0.720 61.476 62.300 -0.173 0.000 1.029 233 V CB 2.047 33.648 31.823 -0.372 0.000 1.024 233 V HN 0.125 nan 8.190 nan 0.000 0.477 234 V N 3.329 123.082 119.914 -0.267 0.000 2.735 234 V HA 0.550 4.670 4.120 -0.000 0.000 0.310 234 V C -0.593 175.287 176.094 -0.356 0.000 1.061 234 V CA -0.552 61.640 62.300 -0.180 0.000 0.913 234 V CB 2.220 33.983 31.823 -0.100 0.000 1.005 234 V HN 0.594 nan 8.190 nan 0.000 0.428 235 V N 5.665 125.439 119.914 -0.234 0.000 2.398 235 V HA 0.271 4.391 4.120 -0.000 0.000 0.282 235 V C -1.802 174.334 176.094 0.070 0.000 1.014 235 V CA -1.372 60.771 62.300 -0.261 0.000 0.838 235 V CB 1.643 33.111 31.823 -0.591 0.000 1.018 235 V HN 0.682 nan 8.190 nan 0.000 0.432 236 P HA -0.266 nan 4.420 nan 0.000 0.219 236 P C 1.498 179.201 177.300 0.672 0.000 1.149 236 P CA 1.768 65.045 63.100 0.296 0.000 0.835 236 P CB 0.300 32.191 31.700 0.317 0.000 0.778 237 M N -1.484 118.399 119.600 0.471 0.000 2.369 237 M HA 0.184 4.664 4.480 -0.000 0.000 0.254 237 M C 1.953 178.493 176.300 0.400 0.000 1.136 237 M CA 1.534 57.117 55.300 0.471 0.000 1.190 237 M CB -0.647 32.134 32.600 0.302 0.000 1.289 237 M HN -0.186 nan 8.290 nan 0.000 0.468 238 A N -0.253 122.763 122.820 0.326 0.000 2.186 238 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 238 A C 1.430 179.288 177.584 0.457 0.000 1.159 238 A CA 2.064 54.329 52.037 0.379 0.000 0.680 238 A CB -1.293 17.908 19.000 0.335 0.000 0.787 238 A HN 0.682 nan 8.150 nan 0.000 0.467 239 D N -0.806 119.830 120.400 0.394 0.000 2.392 239 D HA 0.034 4.674 4.640 -0.000 0.000 0.228 239 D C 1.406 177.846 176.300 0.234 0.000 1.003 239 D CA 0.604 54.786 54.000 0.304 0.000 0.917 239 D CB -0.023 40.981 40.800 0.340 0.000 0.890 239 D HN 0.515 nan 8.370 nan 0.000 0.532 240 L N -0.362 121.018 121.223 0.262 0.000 2.575 240 L HA 0.266 4.606 4.340 -0.000 0.000 0.228 240 L C 0.930 177.904 176.870 0.174 0.000 1.075 240 L CA -0.245 54.715 54.840 0.199 0.000 0.867 240 L CB 0.392 42.586 42.059 0.224 0.000 1.097 240 L HN 0.038 nan 8.230 nan 0.000 0.485 241 I N 1.590 122.287 120.570 0.211 0.000 2.598 241 I HA -0.004 4.165 4.170 -0.000 0.000 0.284 241 I C 0.033 176.296 176.117 0.244 0.000 1.140 241 I CA 0.108 61.516 61.300 0.180 0.000 1.420 241 I CB 0.322 38.445 38.000 0.205 0.000 1.387 241 I HN 0.244 nan 8.210 nan 0.000 0.553 242 N N 5.256 124.066 118.700 0.184 0.000 2.448 242 N HA 0.185 4.925 4.740 -0.000 0.000 0.274 242 N C -0.890 174.706 175.510 0.143 0.000 1.239 242 N CA -0.428 52.749 53.050 0.212 0.000 0.982 242 N CB 0.561 39.149 38.487 0.168 0.000 1.199 242 N HN 0.634 nan 8.380 nan 0.000 0.576 243 H N -1.069 117.722 119.070 -0.464 0.000 2.472 243 H HA 0.449 5.005 4.556 -0.000 0.000 0.335 243 H C -0.779 174.162 175.328 -0.645 0.000 1.136 243 H CA -0.186 55.386 56.048 -0.792 0.000 1.264 243 H CB 0.848 29.726 29.762 -1.474 0.000 1.486 243 H HN 0.340 nan 8.280 nan 0.000 0.517 244 S N 2.526 117.506 115.700 -1.201 0.000 2.564 244 S HA 0.555 5.025 4.470 -0.000 0.000 0.274 244 S C 0.284 174.355 174.600 -0.882 0.000 1.124 244 S CA -0.160 57.392 58.200 -1.079 0.000 0.869 244 S CB 1.183 63.676 63.200 -1.177 0.000 1.105 244 S HN 0.905 nan 8.310 nan 0.000 0.472 245 A N 2.659 125.168 122.820 -0.519 0.000 2.208 245 A HA 0.320 4.640 4.320 -0.000 0.000 0.209 245 A C 1.816 179.273 177.584 -0.211 0.000 1.161 245 A CA 1.079 52.954 52.037 -0.269 0.000 0.782 245 A CB -0.983 17.940 19.000 -0.128 0.000 0.816 245 A HN 1.083 nan 8.150 nan 0.000 0.477 246 G N -0.231 108.413 108.800 -0.260 0.000 2.408 246 G HA2 0.088 4.048 3.960 -0.000 0.000 0.217 246 G HA3 0.088 4.048 3.960 -0.000 0.000 0.217 246 G C 0.680 175.512 174.900 -0.112 0.000 1.150 246 G CA 0.855 45.860 45.100 -0.158 0.000 0.776 246 G HN 0.273 nan 8.290 nan 0.000 0.542 247 V N 1.461 121.287 119.914 -0.145 0.000 2.572 247 V HA 0.369 4.489 4.120 -0.000 0.000 0.291 247 V C 1.200 177.280 176.094 -0.023 0.000 1.039 247 V CA 1.037 63.300 62.300 -0.062 0.000 1.055 247 V CB 1.236 33.025 31.823 -0.057 0.000 0.969 247 V HN 0.417 nan 8.190 nan 0.000 0.482 248 T N -1.356 113.209 114.554 0.018 0.000 3.262 248 T HA 0.063 4.413 4.350 -0.000 0.000 0.300 248 T C 0.919 175.643 174.700 0.040 0.000 0.959 248 T CA 0.326 62.441 62.100 0.025 0.000 0.936 248 T CB 0.323 69.196 68.868 0.008 0.000 1.169 248 T HN 0.554 nan 8.240 nan 0.000 0.532 249 T N 1.410 116.006 114.554 0.069 0.000 3.033 249 T HA 0.251 4.601 4.350 -0.000 0.000 0.248 249 T C 0.329 175.047 174.700 0.029 0.000 1.040 249 T CA 0.210 62.343 62.100 0.055 0.000 1.133 249 T CB -0.221 68.691 68.868 0.074 0.000 0.895 249 T HN 0.653 nan 8.240 nan 0.000 0.465 250 E N 1.716 121.967 120.200 0.084 0.000 3.055 250 E HA -0.231 4.119 4.350 -0.000 0.000 0.241 250 E C -1.420 174.984 176.600 -0.326 0.000 2.002 250 E CA 0.418 56.775 56.400 -0.072 0.000 0.930 250 E CB -0.665 29.045 29.700 0.016 0.000 0.925 250 E HN 0.330 nan 8.360 nan 0.000 0.337 251 D N 3.025 122.902 120.400 -0.872 0.000 3.102 251 D HA 0.016 4.656 4.640 -0.000 0.000 0.130 251 D C -0.832 175.098 176.300 -0.617 0.000 0.974 251 D CA -0.171 53.473 54.000 -0.593 0.000 1.775 251 D CB -0.442 40.183 40.800 -0.292 0.000 1.204 251 D HN 0.495 nan 8.370 nan 0.000 0.835 252 H N -0.051 118.989 119.070 -0.049 0.000 3.398 252 H HA 0.495 5.051 4.556 -0.000 0.000 0.260 252 H C 0.474 175.708 175.328 -0.156 0.000 1.189 252 H CA 0.047 56.060 56.048 -0.057 0.000 1.145 252 H CB 0.489 30.280 29.762 0.047 0.000 1.599 252 H HN 0.301 nan 8.280 nan 0.000 0.615 253 A N 1.091 123.800 122.820 -0.185 0.000 2.331 253 A HA 0.604 4.924 4.320 -0.000 0.000 0.283 253 A C -1.040 176.345 177.584 -0.332 0.000 1.142 253 A CA -0.079 51.755 52.037 -0.338 0.000 0.812 253 A CB 0.999 19.916 19.000 -0.138 0.000 1.074 253 A HN 0.420 nan 8.150 nan 0.000 0.497 254 Y N 0.154 120.166 120.300 -0.481 0.000 2.662 254 Y HA 0.415 4.965 4.550 -0.000 0.000 0.334 254 Y C -0.486 175.241 175.900 -0.289 0.000 1.185 254 Y CA -0.862 57.066 58.100 -0.286 0.000 1.074 254 Y CB 1.722 40.059 38.460 -0.205 0.000 1.330 254 Y HN 0.923 nan 8.280 nan 0.000 0.458 268 L N 2.403 123.732 121.223 0.175 0.000 2.654 268 L HA 0.580 4.920 4.340 -0.000 0.000 0.257 268 L C -1.627 175.598 176.870 0.591 0.000 1.093 268 L CA -0.784 54.261 54.840 0.342 0.000 0.903 268 L CB 1.489 43.662 42.059 0.190 0.000 1.520 268 L HN 0.410 nan 8.230 nan 0.000 0.402 269 F N 0.662 120.897 119.950 0.475 0.000 2.388 269 F HA 0.623 5.150 4.527 -0.000 0.000 0.358 269 F C 0.151 175.986 175.800 0.058 0.000 1.122 269 F CA -0.373 57.709 58.000 0.137 0.000 1.056 269 F CB 1.572 40.420 39.000 -0.253 0.000 1.155 269 F HN 0.282 nan 8.300 nan 0.000 0.461 270 S N 7.008 122.560 115.700 -0.246 0.000 2.423 270 S HA 0.512 4.982 4.470 -0.000 0.000 0.317 270 S C -1.073 173.390 174.600 -0.229 0.000 1.065 270 S CA -0.582 57.528 58.200 -0.150 0.000 1.111 270 S CB 0.058 63.210 63.200 -0.080 0.000 0.968 270 S HN 0.592 nan 8.310 nan 0.000 0.474 271 L N 6.915 128.070 121.223 -0.114 0.000 2.272 271 L HA 0.596 4.936 4.340 -0.000 0.000 0.289 271 L C -0.547 176.339 176.870 0.027 0.000 1.032 271 L CA -0.100 54.710 54.840 -0.050 0.000 0.810 271 L CB 0.943 43.026 42.059 0.040 0.000 1.205 271 L HN 0.639 nan 8.230 nan 0.000 0.422 272 K N 2.781 123.216 120.400 0.058 0.000 2.394 272 K HA 0.463 4.783 4.320 -0.000 0.000 0.260 272 K C -0.379 176.259 176.600 0.063 0.000 0.967 272 K CA -0.486 55.842 56.287 0.068 0.000 0.855 272 K CB 1.509 34.061 32.500 0.088 0.000 1.101 272 K HN 0.478 nan 8.250 nan 0.000 0.433 273 S N 4.150 119.870 115.700 0.033 0.000 2.546 273 S HA 0.043 4.513 4.470 -0.000 0.000 0.290 273 S C -1.121 173.490 174.600 0.017 0.000 1.262 273 S CA -1.032 57.169 58.200 0.002 0.000 1.083 273 S CB 0.273 63.477 63.200 0.007 0.000 0.859 273 S HN 0.650 nan 8.310 nan 0.000 0.495 274 P HA 0.138 nan 4.420 nan 0.000 0.245 274 P C -0.217 177.102 177.300 0.032 0.000 1.212 274 P CA 0.444 63.576 63.100 0.053 0.000 0.774 274 P CB 0.081 31.835 31.700 0.091 0.000 0.999 275 L N -1.165 120.068 121.223 0.015 0.000 2.350 275 L HA 0.343 4.683 4.340 -0.000 0.000 0.260 275 L C 0.134 177.013 176.870 0.016 0.000 1.015 275 L CA -0.933 53.917 54.840 0.017 0.000 0.821 275 L CB 2.204 44.274 42.059 0.019 0.000 1.370 275 L HN -0.389 nan 8.230 nan 0.000 0.416 276 S N 1.352 117.061 115.700 0.015 0.000 3.072 276 S HA 0.239 4.709 4.470 -0.000 0.000 0.306 276 S C -0.020 174.586 174.600 0.011 0.000 1.207 276 S CA -0.433 57.774 58.200 0.013 0.000 1.008 276 S CB -0.004 63.203 63.200 0.012 0.000 1.390 276 S HN 0.240 nan 8.310 nan 0.000 0.523 277 V N 4.586 124.505 119.914 0.007 0.000 2.649 277 V HA 0.208 4.328 4.120 -0.000 0.000 0.292 277 V C 0.595 176.690 176.094 0.001 0.000 1.055 277 V CA -0.411 61.890 62.300 0.002 0.000 1.023 277 V CB 0.875 32.691 31.823 -0.013 0.000 0.992 277 V HN 0.626 nan 8.190 nan 0.000 0.480 278 K N 2.609 123.009 120.400 -0.001 0.000 2.087 278 K HA 0.700 5.020 4.320 -0.000 0.000 0.255 278 K C 0.078 176.675 176.600 -0.005 0.000 0.988 278 K CA -0.502 55.785 56.287 -0.000 0.000 0.915 278 K CB 1.103 33.603 32.500 0.001 0.000 1.043 278 K HN 0.783 nan 8.250 nan 0.000 0.457 279 A N 0.561 123.380 122.820 -0.003 0.000 2.531 279 A HA 0.359 4.679 4.320 -0.000 0.000 0.236 279 A C 1.230 178.807 177.584 -0.011 0.000 1.062 279 A CA 1.014 53.048 52.037 -0.004 0.000 0.760 279 A CB -0.796 18.204 19.000 0.000 0.000 0.995 279 A HN 0.925 nan 8.150 nan 0.000 0.501 280 G N 1.263 110.052 108.800 -0.017 0.000 2.299 280 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.237 280 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.237 280 G C 0.233 175.112 174.900 -0.036 0.000 1.027 280 G CA 0.522 45.608 45.100 -0.024 0.000 0.619 280 G HN 0.882 nan 8.290 nan 0.000 0.513 281 E N 0.416 120.595 120.200 -0.035 0.000 2.405 281 E HA 0.484 4.834 4.350 -0.000 0.000 0.253 281 E C 0.288 176.829 176.600 -0.099 0.000 1.257 281 E CA -0.367 56.004 56.400 -0.048 0.000 0.960 281 E CB 0.517 30.203 29.700 -0.024 0.000 1.077 281 E HN 0.443 nan 8.360 nan 0.000 0.512 282 Q N 0.563 120.261 119.800 -0.169 0.000 2.245 282 Q HA 0.322 4.662 4.340 -0.000 0.000 0.256 282 Q C -1.401 174.343 176.000 -0.426 0.000 0.942 282 Q CA -0.649 54.940 55.803 -0.358 0.000 0.896 282 Q CB 1.506 29.884 28.738 -0.600 0.000 1.272 282 Q HN 0.252 nan 8.270 nan 0.000 0.442 283 V N 4.884 124.583 119.914 -0.358 0.000 2.406 283 V HA 0.304 4.424 4.120 -0.000 0.000 0.272 283 V C -0.773 175.149 176.094 -0.287 0.000 1.043 283 V CA -0.195 61.972 62.300 -0.221 0.000 0.915 283 V CB -0.094 31.677 31.823 -0.087 0.000 0.988 283 V HN 0.704 nan 8.190 nan 0.000 0.466 284 Y N 4.825 125.081 120.300 -0.074 0.000 2.686 284 Y HA 0.838 5.388 4.550 -0.000 0.000 0.330 284 Y C 0.293 176.099 175.900 -0.156 0.000 1.082 284 Y CA -1.064 56.968 58.100 -0.112 0.000 1.158 284 Y CB 2.084 40.441 38.460 -0.172 0.000 1.333 284 Y HN 0.611 nan 8.280 nan 0.000 0.519 285 I N -1.334 119.260 120.570 0.040 0.000 3.093 285 I HA 0.492 4.662 4.170 -0.000 0.000 0.308 285 I C -1.665 174.463 176.117 0.019 0.000 1.303 285 I CA -1.418 59.814 61.300 -0.112 0.000 0.975 285 I CB 2.148 40.041 38.000 -0.179 0.000 1.286 285 I HN 0.363 nan 8.210 nan 0.000 0.459 286 Q N 1.812 121.744 119.800 0.221 0.000 2.331 286 Q HA 0.415 4.755 4.340 -0.000 0.000 0.257 286 Q C -0.754 175.586 176.000 0.566 0.000 0.957 286 Q CA -0.067 55.898 55.803 0.271 0.000 0.923 286 Q CB 0.802 29.675 28.738 0.224 0.000 1.212 286 Q HN 0.741 nan 8.270 nan 0.000 0.443 287 Y N 1.830 122.401 120.300 0.452 0.000 2.163 287 Y HA -0.024 4.526 4.550 -0.000 0.000 0.288 287 Y C 0.602 176.596 175.900 0.157 0.000 1.136 287 Y CA 0.523 58.738 58.100 0.193 0.000 1.147 287 Y CB 0.795 39.195 38.460 -0.101 0.000 0.987 287 Y HN 0.554 nan 8.280 nan 0.000 0.509 288 D N -1.343 119.260 120.400 0.339 0.000 2.633 288 D HA 0.089 4.729 4.640 -0.000 0.000 0.198 288 D C -0.315 176.087 176.300 0.170 0.000 1.273 288 D CA -0.132 53.991 54.000 0.205 0.000 0.830 288 D CB 0.893 41.795 40.800 0.171 0.000 1.771 288 D HN 0.062 nan 8.370 nan 0.000 0.547 289 L N 2.525 123.820 121.223 0.120 0.000 2.240 289 L HA 0.033 4.372 4.340 -0.000 0.000 0.211 289 L C 1.766 178.661 176.870 0.041 0.000 1.106 289 L CA 0.580 55.470 54.840 0.083 0.000 0.793 289 L CB -0.136 41.951 42.059 0.048 0.000 0.927 289 L HN 0.299 nan 8.230 nan 0.000 0.446 290 N N -0.110 118.608 118.700 0.030 0.000 2.353 290 N HA 0.037 4.777 4.740 -0.000 0.000 0.185 290 N C 0.249 175.803 175.510 0.073 0.000 1.098 290 N CA 0.297 53.338 53.050 -0.014 0.000 0.872 290 N CB 0.282 38.751 38.487 -0.030 0.000 0.970 290 N HN 0.334 nan 8.380 nan 0.000 0.467 291 K N 1.258 121.727 120.400 0.114 0.000 2.202 291 K HA 0.164 4.484 4.320 -0.000 0.000 0.264 291 K C 0.788 177.528 176.600 0.234 0.000 1.010 291 K CA -0.227 56.148 56.287 0.146 0.000 0.940 291 K CB 0.861 33.411 32.500 0.083 0.000 0.983 291 K HN 0.063 nan 8.250 nan 0.000 0.475 292 S N 0.859 116.696 115.700 0.228 0.000 2.686 292 S HA 0.155 4.625 4.470 -0.000 0.000 0.270 292 S C 0.844 175.486 174.600 0.071 0.000 1.194 292 S CA -0.756 57.554 58.200 0.184 0.000 0.990 292 S CB 0.731 63.892 63.200 -0.064 0.000 1.029 292 S HN 0.514 nan 8.310 nan 0.000 0.560 293 N N 0.641 119.378 118.700 0.062 0.000 2.270 293 N HA -0.008 4.732 4.740 -0.000 0.000 0.181 293 N C 1.920 177.424 175.510 -0.010 0.000 1.016 293 N CA 1.222 54.299 53.050 0.045 0.000 0.870 293 N CB -0.986 37.575 38.487 0.123 0.000 0.979 293 N HN 0.763 nan 8.380 nan 0.000 0.431 294 A N 1.519 124.321 122.820 -0.030 0.000 1.908 294 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 294 A C 2.073 179.579 177.584 -0.129 0.000 1.181 294 A CA 1.368 53.352 52.037 -0.088 0.000 0.627 294 A CB -0.470 18.459 19.000 -0.118 0.000 0.818 294 A HN 0.334 nan 8.150 nan 0.000 0.445 295 E N -0.192 119.941 120.200 -0.112 0.000 2.077 295 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 295 E C 1.970 178.451 176.600 -0.198 0.000 0.989 295 E CA 1.163 57.477 56.400 -0.143 0.000 0.800 295 E CB -0.308 29.342 29.700 -0.084 0.000 0.746 295 E HN 0.635 nan 8.360 nan 0.000 0.452 296 L N 0.540 121.665 121.223 -0.163 0.000 2.093 296 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 296 L C 2.593 179.274 176.870 -0.315 0.000 1.085 296 L CA 0.824 55.514 54.840 -0.250 0.000 0.755 296 L CB -0.473 41.393 42.059 -0.322 0.000 0.904 296 L HN 0.135 nan 8.230 nan 0.000 0.435 297 A N -0.173 122.520 122.820 -0.212 0.000 1.933 297 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 297 A C 2.283 179.741 177.584 -0.211 0.000 1.175 297 A CA 1.441 53.384 52.037 -0.158 0.000 0.628 297 A CB -0.470 18.465 19.000 -0.108 0.000 0.814 297 A HN 0.382 nan 8.150 nan 0.000 0.444 298 L N -1.102 119.964 121.223 -0.261 0.000 2.127 298 L HA -0.069 4.271 4.340 -0.000 0.000 0.203 298 L C 1.933 178.603 176.870 -0.334 0.000 1.080 298 L CA 1.384 56.056 54.840 -0.280 0.000 0.768 298 L CB -0.213 41.693 42.059 -0.256 0.000 0.924 298 L HN 0.294 nan 8.230 nan 0.000 0.444 299 D N -1.301 118.812 120.400 -0.479 0.000 2.097 299 D HA -0.100 4.540 4.640 -0.000 0.000 0.197 299 D C -0.107 175.683 176.300 -0.850 0.000 0.984 299 D CA 1.406 54.938 54.000 -0.781 0.000 0.826 299 D CB 0.053 40.183 40.800 -1.115 0.000 0.973 299 D HN 0.234 nan 8.370 nan 0.000 0.460 300 Y N -1.864 118.311 120.300 -0.210 0.000 2.686 300 Y HA 0.591 5.141 4.550 -0.000 0.000 0.330 300 Y C 1.297 177.148 175.900 -0.082 0.000 1.082 300 Y CA -1.356 56.676 58.100 -0.113 0.000 1.158 300 Y CB 1.227 39.594 38.460 -0.155 0.000 1.333 300 Y HN -0.247 nan 8.280 nan 0.000 0.519 301 G N 0.358 109.325 108.800 0.278 0.000 3.949 301 G HA2 0.417 4.377 3.960 -0.000 0.000 0.295 301 G HA3 0.417 4.377 3.960 -0.000 0.000 0.295 301 G C -0.933 174.175 174.900 0.347 0.000 1.286 301 G CA 0.002 45.268 45.100 0.278 0.000 1.171 301 G HN 0.426 nan 8.290 nan 0.000 0.586 302 F N -0.786 119.269 119.950 0.175 0.000 2.745 302 F HA 0.815 5.342 4.527 -0.000 0.000 0.316 302 F C -0.969 174.886 175.800 0.093 0.000 1.155 302 F CA -2.240 55.834 58.000 0.122 0.000 0.937 302 F CB 1.243 40.286 39.000 0.071 0.000 1.361 302 F HN 0.092 nan 8.300 nan 0.000 0.472 303 I N -1.861 118.948 120.570 0.399 0.000 3.354 303 I HA 0.717 4.887 4.170 -0.000 0.000 0.316 303 I C -1.618 174.676 176.117 0.295 0.000 1.182 303 I CA -1.087 60.358 61.300 0.242 0.000 0.942 303 I CB 2.608 40.703 38.000 0.160 0.000 1.299 303 I HN 0.735 nan 8.210 nan 0.000 0.473 304 E N 1.190 121.494 120.200 0.174 0.000 2.244 304 E HA 0.387 4.737 4.350 -0.000 0.000 0.266 304 E C -2.213 174.413 176.600 0.044 0.000 0.914 304 E CA -1.652 54.819 56.400 0.117 0.000 0.794 304 E CB 2.334 32.100 29.700 0.110 0.000 1.210 304 E HN 0.442 nan 8.360 nan 0.000 0.414 305 P HA -0.090 nan 4.420 nan 0.000 0.221 305 P C 0.041 177.314 177.300 -0.045 0.000 1.150 305 P CA 0.582 63.688 63.100 0.011 0.000 0.800 305 P CB 0.130 31.838 31.700 0.013 0.000 0.787 306 N N 1.353 120.023 118.700 -0.051 0.000 2.394 306 N HA -0.123 4.616 4.740 -0.000 0.000 0.277 306 N C 1.137 176.536 175.510 -0.185 0.000 1.346 306 N CA 0.315 53.326 53.050 -0.065 0.000 0.910 306 N CB -0.036 38.440 38.487 -0.019 0.000 1.201 306 N HN 0.290 nan 8.380 nan 0.000 0.488 307 E N 2.282 122.398 120.200 -0.141 0.000 2.331 307 E HA -0.256 4.094 4.350 -0.000 0.000 0.199 307 E C 0.133 176.717 176.600 -0.028 0.000 1.008 307 E CA 0.954 57.239 56.400 -0.192 0.000 0.843 307 E CB -0.141 29.544 29.700 -0.026 0.000 0.761 307 E HN 0.517 nan 8.360 nan 0.000 0.507 308 N N 0.499 119.237 118.700 0.063 0.000 2.461 308 N HA 0.012 4.752 4.740 -0.000 0.000 0.188 308 N C 1.118 176.763 175.510 0.224 0.000 1.134 308 N CA 0.247 53.412 53.050 0.192 0.000 0.878 308 N CB 0.140 38.709 38.487 0.138 0.000 0.972 308 N HN 0.182 nan 8.380 nan 0.000 0.456 309 R N 0.289 120.825 120.500 0.061 0.000 2.280 309 R HA 0.097 4.436 4.340 -0.000 0.000 0.195 309 R C -0.050 176.330 176.300 0.133 0.000 0.935 309 R CA 0.039 56.220 56.100 0.134 0.000 1.033 309 R CB -0.144 30.161 30.300 0.009 0.000 0.964 309 R HN 0.466 nan 8.270 nan 0.000 0.489 310 H N -0.012 119.141 119.070 0.139 0.000 2.767 310 H HA 0.367 4.923 4.556 -0.000 0.000 0.316 310 H C 0.028 175.311 175.328 -0.075 0.000 1.059 310 H CA -0.174 55.888 56.048 0.023 0.000 1.461 310 H CB 1.050 30.805 29.762 -0.011 0.000 1.475 310 H HN 0.143 nan 8.280 nan 0.000 0.531 311 A N 3.473 126.216 122.820 -0.129 0.000 2.566 311 A HA 0.576 4.896 4.320 -0.000 0.000 0.292 311 A C -1.995 175.514 177.584 -0.126 0.000 1.112 311 A CA -0.635 51.150 52.037 -0.419 0.000 0.707 311 A CB 1.479 19.633 19.000 -1.410 0.000 1.302 311 A HN 0.714 nan 8.150 nan 0.000 0.409 312 Y N 0.403 120.598 120.300 -0.175 0.000 2.358 312 Y HA 0.497 5.047 4.550 -0.000 0.000 0.324 312 Y C 0.082 175.972 175.900 -0.016 0.000 1.123 312 Y CA 0.049 58.113 58.100 -0.059 0.000 1.067 312 Y CB 1.939 40.401 38.460 0.003 0.000 1.230 312 Y HN 0.941 nan 8.280 nan 0.000 0.429 313 T N 5.893 120.422 114.554 -0.041 0.000 2.806 313 T HA 0.617 4.967 4.350 -0.000 0.000 0.290 313 T C -0.739 174.110 174.700 0.248 0.000 0.966 313 T CA -0.502 61.670 62.100 0.120 0.000 1.060 313 T CB 0.409 69.301 68.868 0.039 0.000 0.927 313 T HN 0.572 nan 8.240 nan 0.000 0.485 314 L N 3.606 125.016 121.223 0.310 0.000 2.325 314 L HA 0.580 4.920 4.340 -0.000 0.000 0.279 314 L C 0.763 177.779 176.870 0.243 0.000 1.054 314 L CA -0.955 54.054 54.840 0.282 0.000 0.804 314 L CB 1.878 44.078 42.059 0.235 0.000 1.200 314 L HN 0.819 nan 8.230 nan 0.000 0.436 315 T N 3.841 118.483 114.554 0.146 0.000 2.815 315 T HA 0.615 4.965 4.350 -0.000 0.000 0.289 315 T C -0.663 174.013 174.700 -0.040 0.000 1.000 315 T CA -0.539 61.533 62.100 -0.047 0.000 0.958 315 T CB 0.319 69.142 68.868 -0.076 0.000 0.944 315 T HN 0.363 nan 8.240 nan 0.000 0.442 316 L N 4.262 125.445 121.223 -0.068 0.000 2.334 316 L HA 0.827 5.167 4.340 -0.000 0.000 0.272 316 L C 0.010 176.921 176.870 0.070 0.000 1.020 316 L CA -1.061 53.809 54.840 0.051 0.000 0.812 316 L CB 1.820 43.969 42.059 0.150 0.000 1.264 316 L HN 0.828 nan 8.230 nan 0.000 0.439 317 E N 1.135 121.474 120.200 0.231 0.000 2.407 317 E HA 0.439 4.789 4.350 -0.000 0.000 0.279 317 E C -1.562 175.188 176.600 0.251 0.000 1.012 317 E CA -0.842 55.709 56.400 0.253 0.000 0.800 317 E CB 1.950 31.722 29.700 0.119 0.000 1.276 317 E HN 0.483 nan 8.360 nan 0.000 0.452 318 I N 2.433 123.146 120.570 0.237 0.000 2.287 318 I HA 0.162 4.332 4.170 -0.000 0.000 0.290 318 I C 0.456 176.769 176.117 0.326 0.000 1.069 318 I CA -0.532 60.876 61.300 0.179 0.000 1.237 318 I CB 1.151 39.169 38.000 0.031 0.000 1.418 318 I HN 0.506 nan 8.210 nan 0.000 0.481 319 S N 4.281 120.123 115.700 0.237 0.000 2.566 319 S HA 0.019 4.489 4.470 -0.000 0.000 0.280 319 S C 1.224 175.954 174.600 0.217 0.000 1.343 319 S CA -0.001 58.307 58.200 0.181 0.000 1.036 319 S CB 0.651 63.908 63.200 0.095 0.000 0.866 319 S HN 0.661 nan 8.310 nan 0.000 0.526 320 E N 1.489 121.641 120.200 -0.081 0.000 2.358 320 E HA -0.055 4.295 4.350 -0.000 0.000 0.195 320 E C 1.832 178.305 176.600 -0.211 0.000 1.010 320 E CA 0.851 56.952 56.400 -0.499 0.000 0.856 320 E CB -0.005 29.321 29.700 -0.624 0.000 0.795 320 E HN 0.799 nan 8.360 nan 0.000 0.504 321 S N 0.696 116.351 115.700 -0.075 0.000 2.522 321 S HA -0.086 4.384 4.470 -0.000 0.000 0.227 321 S C 0.813 175.411 174.600 -0.003 0.000 0.986 321 S CA -0.023 58.150 58.200 -0.045 0.000 0.929 321 S CB 0.011 63.193 63.200 -0.029 0.000 0.769 321 S HN 0.038 nan 8.310 nan 0.000 0.529 322 D N 3.703 124.142 120.400 0.065 0.000 2.401 322 D HA 0.128 4.768 4.640 -0.000 0.000 0.254 322 D C -1.279 175.050 176.300 0.048 0.000 1.192 322 D CA -1.880 52.178 54.000 0.097 0.000 0.885 322 D CB 1.404 42.316 40.800 0.186 0.000 1.147 322 D HN 0.093 nan 8.370 nan 0.000 0.478 323 P HA -0.127 nan 4.420 nan 0.000 0.224 323 P C 0.506 177.511 177.300 -0.492 0.000 1.142 323 P CA 0.918 63.819 63.100 -0.332 0.000 0.778 323 P CB -0.054 31.345 31.700 -0.502 0.000 0.764 324 F N -3.162 116.823 119.950 0.058 0.000 2.698 324 F HA 0.257 4.784 4.527 -0.000 0.000 0.304 324 F C 1.833 177.664 175.800 0.052 0.000 1.108 324 F CA -0.852 57.169 58.000 0.036 0.000 1.263 324 F CB -0.544 38.444 39.000 -0.020 0.000 1.013 324 F HN -0.256 nan 8.300 nan 0.000 0.532 325 F N 1.895 121.894 119.950 0.081 0.000 2.039 325 F HA -0.370 4.157 4.527 -0.000 0.000 0.296 325 F C 2.221 178.057 175.800 0.060 0.000 1.119 325 F CA 2.248 60.281 58.000 0.056 0.000 1.211 325 F CB -0.285 38.728 39.000 0.023 0.000 0.956 325 F HN -0.005 nan 8.300 nan 0.000 0.496 326 D N 0.139 120.636 120.400 0.162 0.000 2.149 326 D HA -0.220 4.420 4.640 -0.000 0.000 0.194 326 D C 1.920 178.191 176.300 -0.048 0.000 1.001 326 D CA 1.872 55.900 54.000 0.046 0.000 0.849 326 D CB -0.499 40.391 40.800 0.150 0.000 0.939 326 D HN 0.486 nan 8.370 nan 0.000 0.449 327 D N 0.508 120.918 120.400 0.016 0.000 2.123 327 D HA -0.065 4.575 4.640 -0.000 0.000 0.200 327 D C 2.058 178.324 176.300 -0.056 0.000 0.976 327 D CA 0.634 54.639 54.000 0.009 0.000 0.831 327 D CB 0.080 40.921 40.800 0.069 0.000 0.974 327 D HN 0.249 nan 8.370 nan 0.000 0.469 328 K N 0.477 120.819 120.400 -0.096 0.000 2.026 328 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 328 K C 2.133 178.614 176.600 -0.199 0.000 1.048 328 K CA 0.459 56.658 56.287 -0.147 0.000 0.929 328 K CB -0.222 32.186 32.500 -0.153 0.000 0.713 328 K HN 0.012 nan 8.250 nan 0.000 0.439 329 L N 1.995 123.004 121.223 -0.358 0.000 2.079 329 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 329 L C 1.715 178.496 176.870 -0.148 0.000 1.081 329 L CA 1.920 56.557 54.840 -0.338 0.000 0.752 329 L CB -0.559 41.133 42.059 -0.612 0.000 0.896 329 L HN 0.154 nan 8.230 nan 0.000 0.433 330 D N -1.556 118.774 120.400 -0.116 0.000 2.117 330 D HA -0.179 4.461 4.640 -0.000 0.000 0.197 330 D C 2.102 178.394 176.300 -0.014 0.000 0.987 330 D CA 1.462 55.436 54.000 -0.044 0.000 0.829 330 D CB 0.109 40.896 40.800 -0.021 0.000 0.961 330 D HN 0.204 nan 8.370 nan 0.000 0.460 331 V N 0.685 120.597 119.914 -0.003 0.000 2.295 331 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 331 V C 2.503 178.647 176.094 0.083 0.000 1.049 331 V CA 1.757 64.095 62.300 0.063 0.000 1.024 331 V CB -0.889 30.983 31.823 0.082 0.000 0.648 331 V HN 0.344 nan 8.190 nan 0.000 0.447 332 A N -0.129 122.731 122.820 0.065 0.000 1.858 332 A HA -0.247 4.073 4.320 -0.000 0.000 0.216 332 A C 2.177 179.807 177.584 0.076 0.000 1.190 332 A CA 1.957 54.069 52.037 0.125 0.000 0.617 332 A CB -0.502 18.571 19.000 0.122 0.000 0.827 332 A HN 0.635 nan 8.150 nan 0.000 0.443 333 E N 0.068 120.284 120.200 0.028 0.000 2.106 333 E HA -0.093 4.257 4.350 -0.000 0.000 0.192 333 E C 2.005 178.571 176.600 -0.055 0.000 0.984 333 E CA 1.182 57.577 56.400 -0.007 0.000 0.806 333 E CB -0.221 29.474 29.700 -0.008 0.000 0.750 333 E HN 0.533 nan 8.360 nan 0.000 0.458 334 S N 1.034 116.704 115.700 -0.050 0.000 2.547 334 S HA -0.017 4.453 4.470 -0.000 0.000 0.235 334 S C 0.990 175.510 174.600 -0.134 0.000 0.980 334 S CA 0.501 58.663 58.200 -0.063 0.000 0.941 334 S CB -0.033 63.153 63.200 -0.023 0.000 0.763 334 S HN 0.255 nan 8.310 nan 0.000 0.532 335 N N -0.122 118.445 118.700 -0.221 0.000 2.299 335 N HA 0.209 4.949 4.740 -0.000 0.000 0.246 335 N C 0.738 175.999 175.510 -0.414 0.000 1.254 335 N CA 0.515 53.307 53.050 -0.430 0.000 0.879 335 N CB 1.352 39.264 38.487 -0.958 0.000 1.214 335 N HN 0.409 nan 8.380 nan 0.000 0.510 336 G N 0.815 109.424 108.800 -0.318 0.000 2.157 336 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.248 336 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.248 336 G C -0.305 174.179 174.900 -0.693 0.000 0.979 336 G CA -0.084 44.728 45.100 -0.480 0.000 0.650 336 G HN 0.265 nan 8.290 nan 0.000 0.529 337 F N 0.617 120.524 119.950 -0.071 0.000 2.532 337 F HA 0.799 5.326 4.527 -0.000 0.000 0.321 337 F C 0.612 176.463 175.800 0.084 0.000 1.089 337 F CA -0.347 57.682 58.000 0.049 0.000 0.926 337 F CB 1.911 41.078 39.000 0.280 0.000 1.168 337 F HN 0.265 nan 8.300 nan 0.000 0.459 338 A N 1.499 124.453 122.820 0.222 0.000 2.274 338 A HA 0.281 4.601 4.320 -0.000 0.000 0.297 338 A C 1.303 179.026 177.584 0.231 0.000 1.191 338 A CA -0.338 51.793 52.037 0.157 0.000 0.889 338 A CB 0.498 19.545 19.000 0.078 0.000 1.294 338 A HN 0.775 nan 8.150 nan 0.000 0.506 339 Q N -0.669 119.230 119.800 0.165 0.000 2.181 339 Q HA -0.085 4.255 4.340 -0.000 0.000 0.205 339 Q C -0.333 175.792 176.000 0.209 0.000 0.980 339 Q CA 1.651 57.570 55.803 0.193 0.000 0.862 339 Q CB -0.126 28.739 28.738 0.212 0.000 0.905 339 Q HN 0.695 nan 8.270 nan 0.000 0.429 340 T N 0.414 115.032 114.554 0.106 0.000 2.848 340 T HA 0.709 5.059 4.350 -0.000 0.000 0.285 340 T C -1.289 173.296 174.700 -0.192 0.000 0.995 340 T CA -0.287 61.787 62.100 -0.044 0.000 0.970 340 T CB 1.678 70.493 68.868 -0.088 0.000 0.976 340 T HN 0.231 nan 8.240 nan 0.000 0.441 341 A N 2.896 125.467 122.820 -0.414 0.000 2.414 341 A HA 0.805 5.125 4.320 -0.000 0.000 0.306 341 A C -1.827 175.319 177.584 -0.730 0.000 1.054 341 A CA -0.727 50.981 52.037 -0.548 0.000 0.724 341 A CB 1.078 19.652 19.000 -0.710 0.000 1.267 341 A HN 0.823 nan 8.150 nan 0.000 0.418 342 Y N 0.503 120.560 120.300 -0.406 0.000 2.335 342 Y HA 0.581 5.131 4.550 -0.000 0.000 0.338 342 Y C -0.827 174.831 175.900 -0.404 0.000 0.977 342 Y CA -0.217 57.721 58.100 -0.270 0.000 1.114 342 Y CB 1.702 40.075 38.460 -0.144 0.000 1.182 342 Y HN 0.552 nan 8.280 nan 0.000 0.463 343 F N 2.853 122.895 119.950 0.154 0.000 2.402 343 F HA 0.306 4.833 4.527 -0.000 0.000 0.355 343 F C -0.262 175.637 175.800 0.165 0.000 1.123 343 F CA -1.117 56.971 58.000 0.147 0.000 1.021 343 F CB 1.015 40.075 39.000 0.100 0.000 1.160 343 F HN 0.415 nan 8.300 nan 0.000 0.451 344 D N 5.077 125.670 120.400 0.322 0.000 2.295 344 D HA 0.310 4.950 4.640 -0.000 0.000 0.248 344 D C -0.009 176.479 176.300 0.314 0.000 1.154 344 D CA 0.228 54.386 54.000 0.262 0.000 0.857 344 D CB 1.702 42.675 40.800 0.290 0.000 1.117 344 D HN 0.374 nan 8.370 nan 0.000 0.468 345 I N 3.244 123.943 120.570 0.215 0.000 2.359 345 I HA 0.201 4.371 4.170 -0.000 0.000 0.284 345 I C -0.209 175.996 176.117 0.147 0.000 1.018 345 I CA -0.656 60.784 61.300 0.233 0.000 1.173 345 I CB 0.451 38.579 38.000 0.214 0.000 1.326 345 I HN 0.044 nan 8.210 nan 0.000 0.462 346 F N 4.967 125.017 119.950 0.167 0.000 2.375 346 F HA 0.263 4.790 4.527 -0.000 0.000 0.333 346 F C 0.395 176.313 175.800 0.196 0.000 1.104 346 F CA -0.252 57.856 58.000 0.180 0.000 1.149 346 F CB 0.571 39.653 39.000 0.136 0.000 1.190 346 F HN 0.293 nan 8.300 nan 0.000 0.533 347 Y N 3.623 124.079 120.300 0.259 0.000 2.597 347 Y HA -0.019 4.531 4.550 -0.000 0.000 0.336 347 Y C 1.157 177.159 175.900 0.169 0.000 1.216 347 Y CA 0.205 58.418 58.100 0.188 0.000 1.463 347 Y CB 0.158 38.733 38.460 0.192 0.000 1.303 347 Y HN 0.715 nan 8.280 nan 0.000 0.576 348 N N 1.316 119.702 118.700 -0.523 0.000 2.809 348 N HA -0.317 4.423 4.740 -0.000 0.000 0.244 348 N C -0.209 175.246 175.510 -0.091 0.000 1.018 348 N CA 1.421 54.266 53.050 -0.342 0.000 0.917 348 N CB -0.795 37.565 38.487 -0.213 0.000 1.130 348 N HN 0.713 nan 8.380 nan 0.000 0.591 349 R N 1.142 121.647 120.500 0.008 0.000 2.486 349 R HA 0.361 4.701 4.340 -0.000 0.000 0.286 349 R C 0.195 176.518 176.300 0.039 0.000 0.999 349 R CA -0.104 56.026 56.100 0.051 0.000 0.993 349 R CB 0.743 31.121 30.300 0.131 0.000 1.084 349 R HN 0.146 nan 8.270 nan 0.000 0.487 350 T N 1.482 116.053 114.554 0.028 0.000 2.898 350 T HA 0.197 4.547 4.350 -0.000 0.000 0.301 350 T C 0.871 175.603 174.700 0.053 0.000 1.049 350 T CA -0.724 61.387 62.100 0.019 0.000 1.095 350 T CB 0.485 69.357 68.868 0.005 0.000 0.976 350 T HN 0.391 nan 8.240 nan 0.000 0.539 351 L N 2.672 123.916 121.223 0.035 0.000 2.573 351 L HA 0.145 4.485 4.340 -0.000 0.000 0.290 351 L C -1.764 175.154 176.870 0.080 0.000 1.247 351 L CA -1.418 53.456 54.840 0.057 0.000 0.876 351 L CB -0.457 41.606 42.059 0.007 0.000 1.123 351 L HN 0.527 nan 8.230 nan 0.000 0.505 352 P HA 0.124 nan 4.420 nan 0.000 0.269 352 P C -2.434 174.963 177.300 0.161 0.000 1.209 352 P CA -0.853 62.368 63.100 0.201 0.000 0.776 352 P CB 0.000 31.916 31.700 0.359 0.000 0.876 353 P HA 0.193 nan 4.420 nan 0.000 0.275 353 P C 0.940 178.439 177.300 0.330 0.000 1.227 353 P CA 0.513 63.741 63.100 0.214 0.000 0.781 353 P CB 0.470 32.309 31.700 0.231 0.000 0.906 354 G N 1.212 110.161 108.800 0.249 0.000 2.284 354 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.230 354 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.230 354 G C 0.702 175.493 174.900 -0.182 0.000 1.021 354 G CA 0.335 45.596 45.100 0.268 0.000 0.619 354 G HN 0.570 nan 8.290 nan 0.000 0.510 355 L N 1.195 122.101 121.223 -0.528 0.000 1.994 355 L HA 0.250 4.590 4.340 -0.000 0.000 0.208 355 L C 2.751 179.369 176.870 -0.419 0.000 1.071 355 L CA 2.685 56.893 54.840 -1.053 0.000 0.745 355 L CB -0.647 40.934 42.059 -0.798 0.000 0.892 355 L HN 0.419 nan 8.230 nan 0.000 0.431 356 L N 0.113 121.203 121.223 -0.223 0.000 1.994 356 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 356 L C -0.158 176.600 176.870 -0.186 0.000 1.071 356 L CA 1.674 56.434 54.840 -0.133 0.000 0.745 356 L CB -2.052 39.944 42.059 -0.106 0.000 0.892 356 L HN 0.306 nan 8.230 nan 0.000 0.431 357 P HA -0.239 nan 4.420 nan 0.000 0.218 357 P C 1.356 178.389 177.300 -0.444 0.000 1.149 357 P CA 1.602 64.393 63.100 -0.515 0.000 0.817 357 P CB -0.089 31.052 31.700 -0.931 0.000 0.785 358 Y N 0.423 120.511 120.300 -0.352 0.000 2.263 358 Y HA -0.063 4.487 4.550 -0.000 0.000 0.292 358 Y C 2.517 178.333 175.900 -0.141 0.000 1.130 358 Y CA 1.068 59.065 58.100 -0.172 0.000 1.179 358 Y CB -0.733 37.670 38.460 -0.096 0.000 0.998 358 Y HN -0.261 nan 8.280 nan 0.000 0.532 359 L N -0.353 120.884 121.223 0.023 0.000 2.083 359 L HA -0.234 4.106 4.340 -0.000 0.000 0.209 359 L C 2.438 179.263 176.870 -0.075 0.000 1.083 359 L CA 1.414 56.252 54.840 -0.003 0.000 0.752 359 L CB -0.344 41.704 42.059 -0.018 0.000 0.899 359 L HN 0.163 nan 8.230 nan 0.000 0.433 360 R N -0.734 119.687 120.500 -0.132 0.000 2.115 360 R HA -0.159 4.181 4.340 -0.000 0.000 0.230 360 R C 2.126 178.303 176.300 -0.205 0.000 1.111 360 R CA 0.970 56.973 56.100 -0.162 0.000 0.976 360 R CB -0.354 29.832 30.300 -0.190 0.000 0.870 360 R HN 0.186 nan 8.270 nan 0.000 0.445 361 L N 0.596 121.665 121.223 -0.257 0.000 2.056 361 L HA -0.110 4.230 4.340 -0.000 0.000 0.207 361 L C 2.020 178.757 176.870 -0.222 0.000 1.078 361 L CA 1.509 56.183 54.840 -0.276 0.000 0.749 361 L CB -0.297 41.553 42.059 -0.348 0.000 0.901 361 L HN -0.110 nan 8.230 nan 0.000 0.433 362 V N 0.132 119.929 119.914 -0.195 0.000 2.295 362 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 362 V C 2.645 178.701 176.094 -0.063 0.000 1.049 362 V CA 1.742 63.984 62.300 -0.097 0.000 1.024 362 V CB -1.137 30.680 31.823 -0.010 0.000 0.648 362 V HN 0.598 nan 8.190 nan 0.000 0.447 363 A N -1.020 121.753 122.820 -0.078 0.000 2.206 363 A HA 0.002 4.322 4.320 -0.000 0.000 0.211 363 A C 1.891 179.416 177.584 -0.099 0.000 1.158 363 A CA 0.716 52.711 52.037 -0.070 0.000 0.761 363 A CB -0.394 18.565 19.000 -0.069 0.000 0.801 363 A HN 0.399 nan 8.150 nan 0.000 0.473 364 L N -0.253 120.882 121.223 -0.146 0.000 2.131 364 L HA -0.129 4.211 4.340 -0.000 0.000 0.247 364 L C 1.369 178.122 176.870 -0.194 0.000 1.112 364 L CA 2.603 57.314 54.840 -0.215 0.000 0.843 364 L CB -1.072 40.816 42.059 -0.285 0.000 0.948 364 L HN 1.160 nan 8.230 nan 0.000 0.444 365 G N -4.807 103.904 108.800 -0.149 0.000 2.699 365 G HA2 0.064 4.024 3.960 -0.000 0.000 0.686 365 G HA3 0.064 4.024 3.960 -0.000 0.000 0.686 365 G C 0.559 175.379 174.900 -0.134 0.000 1.301 365 G CA -0.165 44.899 45.100 -0.060 0.000 0.816 365 G HN 0.987 nan 8.290 nan 0.000 0.595 366 G N -0.681 108.161 108.800 0.071 0.000 2.469 366 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.219 366 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.219 366 G C 1.917 176.804 174.900 -0.022 0.000 1.150 366 G CA 2.528 47.685 45.100 0.097 0.000 0.763 366 G HN 1.417 nan 8.290 nan 0.000 0.561 367 T N 0.947 115.484 114.554 -0.027 0.000 2.720 367 T HA -0.081 4.269 4.350 -0.000 0.000 0.268 367 T C 1.507 176.200 174.700 -0.012 0.000 1.037 367 T CA 1.537 63.637 62.100 0.001 0.000 1.144 367 T CB -0.172 68.691 68.868 -0.008 0.000 0.864 367 T HN 0.305 nan 8.240 nan 0.000 0.444 368 D N 0.608 120.876 120.400 -0.220 0.000 2.368 368 D HA 0.349 4.989 4.640 -0.000 0.000 0.218 368 D C 1.724 177.523 176.300 -0.835 0.000 1.112 368 D CA 0.060 53.737 54.000 -0.539 0.000 0.834 368 D CB 0.052 40.553 40.800 -0.498 0.000 0.953 368 D HN 0.346 nan 8.370 nan 0.000 0.505 369 A N 0.965 123.425 122.820 -0.600 0.000 2.125 369 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 369 A C 1.752 179.036 177.584 -0.500 0.000 1.156 369 A CA 0.561 52.160 52.037 -0.729 0.000 0.671 369 A CB -1.074 17.362 19.000 -0.940 0.000 0.794 369 A HN 0.361 nan 8.150 nan 0.000 0.459 370 F N -0.896 118.901 119.950 -0.255 0.000 2.408 370 F HA -0.014 4.513 4.527 -0.000 0.000 0.300 370 F C 1.304 176.981 175.800 -0.206 0.000 1.090 370 F CA 0.782 58.691 58.000 -0.151 0.000 1.427 370 F CB -0.829 38.113 39.000 -0.096 0.000 1.070 370 F HN 0.093 nan 8.300 nan 0.000 0.549 371 L N 0.368 120.959 121.223 -1.054 0.000 2.465 371 L HA -0.007 4.333 4.340 -0.000 0.000 0.224 371 L C 1.711 178.363 176.870 -0.362 0.000 1.145 371 L CA 0.414 54.669 54.840 -0.974 0.000 0.834 371 L CB -0.386 40.955 42.059 -1.196 0.000 0.944 371 L HN 0.283 nan 8.230 nan 0.000 0.451 372 L N -1.014 120.054 121.223 -0.260 0.000 2.612 372 L HA 0.094 4.434 4.340 -0.000 0.000 0.230 372 L C 0.620 177.512 176.870 0.036 0.000 1.140 372 L CA -0.144 54.633 54.840 -0.105 0.000 0.896 372 L CB -0.180 41.789 42.059 -0.151 0.000 1.065 372 L HN 0.120 nan 8.230 nan 0.000 0.447 373 E N -0.066 120.211 120.200 0.130 0.000 2.349 373 E HA 0.125 4.475 4.350 -0.000 0.000 0.265 373 E C 1.143 177.848 176.600 0.174 0.000 1.064 373 E CA -0.073 56.431 56.400 0.172 0.000 0.886 373 E CB 1.410 31.248 29.700 0.230 0.000 1.036 373 E HN -0.041 nan 8.360 nan 0.000 0.413 374 S N 1.285 117.048 115.700 0.106 0.000 2.392 374 S HA -0.243 4.227 4.470 -0.000 0.000 0.232 374 S C 1.791 176.420 174.600 0.048 0.000 1.041 374 S CA 1.240 59.483 58.200 0.072 0.000 1.026 374 S CB -0.201 63.026 63.200 0.045 0.000 0.845 374 S HN 0.501 nan 8.310 nan 0.000 0.465 375 L N 0.624 121.852 121.223 0.008 0.000 2.129 375 L HA -0.074 4.266 4.340 -0.000 0.000 0.212 375 L C 1.373 178.079 176.870 -0.273 0.000 1.087 375 L CA 1.852 56.589 54.840 -0.173 0.000 0.757 375 L CB -0.562 41.309 42.059 -0.315 0.000 0.896 375 L HN 0.292 nan 8.230 nan 0.000 0.434 376 F N -1.801 118.192 119.950 0.072 0.000 2.678 376 F HA 0.244 4.771 4.527 -0.000 0.000 0.305 376 F C 1.940 177.783 175.800 0.072 0.000 1.090 376 F CA -0.351 57.702 58.000 0.089 0.000 1.272 376 F CB -0.247 38.804 39.000 0.085 0.000 1.060 376 F HN -0.162 nan 8.300 nan 0.000 0.576 377 R N 0.708 121.326 120.500 0.197 0.000 2.276 377 R HA -0.176 4.164 4.340 -0.000 0.000 0.243 377 R C 0.979 177.355 176.300 0.126 0.000 1.161 377 R CA 1.105 57.289 56.100 0.140 0.000 1.007 377 R CB -0.601 29.753 30.300 0.089 0.000 0.867 377 R HN 0.348 nan 8.270 nan 0.000 0.472 378 D N -1.216 119.257 120.400 0.121 0.000 2.366 378 D HA 0.012 4.652 4.640 -0.000 0.000 0.205 378 D C 0.937 177.307 176.300 0.116 0.000 1.022 378 D CA 1.022 55.080 54.000 0.097 0.000 0.868 378 D CB 0.706 41.542 40.800 0.061 0.000 0.953 378 D HN 0.335 nan 8.370 nan 0.000 0.514 379 T N -1.959 112.693 114.554 0.163 0.000 3.058 379 T HA 0.056 4.406 4.350 -0.000 0.000 0.278 379 T C 1.739 176.522 174.700 0.139 0.000 0.974 379 T CA -0.278 61.892 62.100 0.117 0.000 0.893 379 T CB 0.187 69.107 68.868 0.088 0.000 1.138 379 T HN -0.097 nan 8.240 nan 0.000 0.529 380 I N 1.156 121.871 120.570 0.243 0.000 2.151 380 I HA -0.085 4.085 4.170 -0.000 0.000 0.243 380 I C 2.026 178.233 176.117 0.150 0.000 1.080 380 I CA 1.369 62.786 61.300 0.196 0.000 1.339 380 I CB -0.486 37.606 38.000 0.153 0.000 1.039 380 I HN 0.507 nan 8.210 nan 0.000 0.409 381 W N 1.149 122.467 121.300 0.029 0.000 2.363 381 W HA -0.131 4.529 4.660 -0.000 0.000 0.296 381 W C 2.223 178.754 176.519 0.019 0.000 1.212 381 W CA 1.507 58.868 57.345 0.027 0.000 1.260 381 W CB -0.662 28.831 29.460 0.056 0.000 1.131 381 W HN 0.328 nan 8.180 nan 0.000 0.530 382 G N -0.616 108.238 108.800 0.090 0.000 2.422 382 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.218 382 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.218 382 G C 1.267 176.112 174.900 -0.092 0.000 1.146 382 G CA 1.069 46.153 45.100 -0.027 0.000 0.769 382 G HN 0.286 nan 8.290 nan 0.000 0.547 383 H N 0.305 119.365 119.070 -0.018 0.000 2.357 383 H HA 0.100 4.656 4.556 -0.000 0.000 0.301 383 H C 2.758 177.994 175.328 -0.154 0.000 1.082 383 H CA 0.787 56.808 56.048 -0.045 0.000 1.342 383 H CB -0.308 29.408 29.762 -0.077 0.000 1.389 383 H HN 0.261 nan 8.280 nan 0.000 0.511 384 L N 0.548 121.672 121.223 -0.165 0.000 2.083 384 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 384 L C 2.273 178.933 176.870 -0.349 0.000 1.083 384 L CA 1.292 55.918 54.840 -0.357 0.000 0.752 384 L CB -0.275 41.375 42.059 -0.682 0.000 0.899 384 L HN 0.294 nan 8.230 nan 0.000 0.433 385 E N -0.117 119.879 120.200 -0.340 0.000 2.152 385 E HA -0.133 4.217 4.350 -0.000 0.000 0.192 385 E C 2.312 178.849 176.600 -0.105 0.000 0.983 385 E CA 0.755 57.020 56.400 -0.224 0.000 0.818 385 E CB 0.053 29.662 29.700 -0.151 0.000 0.758 385 E HN 0.480 nan 8.360 nan 0.000 0.467 386 L N 0.288 121.479 121.223 -0.052 0.000 2.162 386 L HA 0.010 4.350 4.340 -0.000 0.000 0.205 386 L C 0.483 177.355 176.870 0.004 0.000 1.086 386 L CA 0.412 55.249 54.840 -0.005 0.000 0.778 386 L CB -0.025 42.067 42.059 0.055 0.000 0.928 386 L HN 0.087 nan 8.230 nan 0.000 0.446 387 S N -3.876 111.840 115.700 0.027 0.000 2.900 387 S HA -0.044 4.426 4.470 -0.000 0.000 0.255 387 S C -0.182 174.507 174.600 0.149 0.000 0.587 387 S CA -0.394 57.860 58.200 0.090 0.000 1.157 387 S CB -0.367 62.923 63.200 0.150 0.000 1.328 387 S HN -0.217 nan 8.310 nan 0.000 0.574 388 V N 1.341 121.308 119.914 0.088 0.000 2.403 388 V HA 0.511 4.631 4.120 -0.000 0.000 0.239 388 V C 1.236 177.323 176.094 -0.013 0.000 1.041 388 V CA 1.608 63.897 62.300 -0.018 0.000 1.051 388 V CB -0.201 31.512 31.823 -0.184 0.000 0.704 388 V HN 1.817 nan 8.190 nan 0.000 0.472 389 S N -1.727 113.799 115.700 -0.290 0.000 2.615 389 S HA 0.376 4.846 4.470 -0.000 0.000 0.268 389 S C 0.144 173.870 174.600 -1.457 0.000 1.146 389 S CA -0.417 57.285 58.200 -0.831 0.000 0.818 389 S CB 1.944 64.924 63.200 -0.367 0.000 1.111 389 S HN 0.146 nan 8.310 nan 0.000 0.465 390 R N 0.274 119.787 120.500 -1.646 0.000 2.120 390 R HA -0.097 4.243 4.340 -0.000 0.000 0.234 390 R C 0.780 176.867 176.300 -0.354 0.000 1.123 390 R CA 2.073 57.667 56.100 -0.844 0.000 0.975 390 R CB -0.483 29.644 30.300 -0.288 0.000 0.866 390 R HN 0.729 nan 8.270 nan 0.000 0.446 391 D N -0.169 120.053 120.400 -0.298 0.000 2.149 391 D HA -0.170 4.470 4.640 -0.000 0.000 0.201 391 D C 1.496 177.703 176.300 -0.155 0.000 0.972 391 D CA 0.772 54.672 54.000 -0.166 0.000 0.835 391 D CB -0.430 40.295 40.800 -0.126 0.000 0.966 391 D HN 0.343 nan 8.370 nan 0.000 0.476 392 N N 1.096 119.673 118.700 -0.206 0.000 2.058 392 N HA -0.204 4.536 4.740 -0.000 0.000 0.191 392 N C 1.702 177.151 175.510 -0.102 0.000 1.037 392 N CA 1.172 54.128 53.050 -0.157 0.000 0.848 392 N CB 0.132 38.508 38.487 -0.185 0.000 1.021 392 N HN -0.037 nan 8.380 nan 0.000 0.422 393 E N 1.188 121.328 120.200 -0.099 0.000 2.058 393 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 393 E C 1.810 178.425 176.600 0.025 0.000 0.997 393 E CA 1.363 57.770 56.400 0.011 0.000 0.801 393 E CB -0.299 29.476 29.700 0.124 0.000 0.746 393 E HN 0.438 nan 8.360 nan 0.000 0.450 394 E N -0.299 119.898 120.200 -0.006 0.000 2.153 394 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 394 E C 2.114 178.714 176.600 0.000 0.000 0.988 394 E CA 0.764 57.169 56.400 0.009 0.000 0.811 394 E CB -0.127 29.567 29.700 -0.009 0.000 0.746 394 E HN 0.342 nan 8.360 nan 0.000 0.466 395 L N 0.748 121.957 121.223 -0.023 0.000 2.005 395 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 395 L C 2.551 179.408 176.870 -0.023 0.000 1.072 395 L CA 1.177 56.002 54.840 -0.027 0.000 0.744 395 L CB -0.351 41.683 42.059 -0.041 0.000 0.895 395 L HN 0.297 nan 8.230 nan 0.000 0.433 396 L N -1.956 119.256 121.223 -0.018 0.000 2.131 396 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 396 L C 2.431 179.283 176.870 -0.031 0.000 1.092 396 L CA 1.574 56.400 54.840 -0.024 0.000 0.759 396 L CB -1.781 40.278 42.059 -0.000 0.000 0.903 396 L HN 0.158 nan 8.230 nan 0.000 0.435 397 C N -0.141 119.190 119.300 0.052 0.000 2.446 397 C HA -0.089 4.371 4.460 -0.000 0.000 0.277 397 C C 2.912 177.895 174.990 -0.011 0.000 1.275 397 C CA 1.122 60.206 59.018 0.109 0.000 1.727 397 C CB -0.807 27.047 27.740 0.190 0.000 2.010 397 C HN 0.657 nan 8.230 nan 0.000 0.486 398 K N 0.923 121.317 120.400 -0.010 0.000 2.057 398 K HA -0.104 4.216 4.320 -0.000 0.000 0.206 398 K C 2.146 178.708 176.600 -0.063 0.000 1.050 398 K CA 1.419 57.691 56.287 -0.026 0.000 0.935 398 K CB -0.274 32.217 32.500 -0.015 0.000 0.715 398 K HN 0.408 nan 8.250 nan 0.000 0.439 399 A N 0.665 123.440 122.820 -0.076 0.000 1.865 399 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 399 A C 2.247 179.743 177.584 -0.147 0.000 1.191 399 A CA 1.915 53.898 52.037 -0.090 0.000 0.623 399 A CB -0.848 18.105 19.000 -0.078 0.000 0.826 399 A HN 0.165 nan 8.150 nan 0.000 0.444 400 V N 0.093 119.850 119.914 -0.263 0.000 2.261 400 V HA -0.289 3.831 4.120 -0.000 0.000 0.246 400 V C 2.658 178.580 176.094 -0.287 0.000 1.047 400 V CA 2.294 64.349 62.300 -0.407 0.000 1.015 400 V CB -0.869 30.364 31.823 -0.984 0.000 0.642 400 V HN 0.527 nan 8.190 nan 0.000 0.446 401 R N -0.228 120.138 120.500 -0.223 0.000 2.117 401 R HA -0.176 4.164 4.340 -0.000 0.000 0.243 401 R C 2.283 178.540 176.300 -0.072 0.000 1.143 401 R CA 1.525 57.564 56.100 -0.101 0.000 0.968 401 R CB -0.361 29.922 30.300 -0.028 0.000 0.863 401 R HN 0.565 nan 8.270 nan 0.000 0.444 402 E N 0.481 120.639 120.200 -0.069 0.000 2.072 402 E HA -0.101 4.249 4.350 -0.000 0.000 0.190 402 E C 2.037 178.608 176.600 -0.048 0.000 0.982 402 E CA 1.115 57.488 56.400 -0.045 0.000 0.803 402 E CB -0.209 29.469 29.700 -0.036 0.000 0.755 402 E HN 0.317 nan 8.360 nan 0.000 0.453 403 A N 1.022 123.801 122.820 -0.069 0.000 1.908 403 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 403 A C 2.621 180.167 177.584 -0.064 0.000 1.181 403 A CA 1.521 53.523 52.037 -0.058 0.000 0.627 403 A CB -0.933 18.025 19.000 -0.070 0.000 0.818 403 A HN 0.335 nan 8.150 nan 0.000 0.445 404 C N -0.696 118.549 119.300 -0.091 0.000 2.453 404 C HA -0.058 4.402 4.460 -0.000 0.000 0.277 404 C C 2.721 177.683 174.990 -0.048 0.000 1.262 404 C CA 1.259 60.220 59.018 -0.095 0.000 1.718 404 C CB -1.026 26.655 27.740 -0.098 0.000 2.031 404 C HN 0.626 nan 8.230 nan 0.000 0.480 405 K N 0.629 121.010 120.400 -0.031 0.000 2.057 405 K HA -0.139 4.181 4.320 -0.000 0.000 0.206 405 K C 2.337 178.941 176.600 0.006 0.000 1.050 405 K CA 1.526 57.808 56.287 -0.008 0.000 0.935 405 K CB -0.396 32.100 32.500 -0.008 0.000 0.715 405 K HN 0.369 nan 8.250 nan 0.000 0.439 406 S N 0.586 116.285 115.700 -0.002 0.000 2.368 406 S HA -0.160 4.310 4.470 -0.000 0.000 0.225 406 S C 2.042 176.654 174.600 0.021 0.000 1.030 406 S CA 1.292 59.495 58.200 0.006 0.000 0.999 406 S CB -0.192 63.006 63.200 -0.002 0.000 0.844 406 S HN 0.395 nan 8.310 nan 0.000 0.459 407 A N 1.473 124.307 122.820 0.023 0.000 1.855 407 A HA 0.082 4.402 4.320 -0.000 0.000 0.215 407 A C 2.156 179.828 177.584 0.148 0.000 1.191 407 A CA 1.336 53.406 52.037 0.055 0.000 0.613 407 A CB -0.941 18.084 19.000 0.041 0.000 0.829 407 A HN 0.549 nan 8.150 nan 0.000 0.442 408 L N -0.599 120.713 121.223 0.148 0.000 2.137 408 L HA -0.269 4.071 4.340 -0.000 0.000 0.213 408 L C 2.788 179.800 176.870 0.237 0.000 1.085 408 L CA 1.111 56.077 54.840 0.211 0.000 0.760 408 L CB -0.462 41.631 42.059 0.056 0.000 0.893 408 L HN 0.464 nan 8.230 nan 0.000 0.434 409 A N -0.320 122.576 122.820 0.127 0.000 2.235 409 A HA 0.080 4.400 4.320 -0.000 0.000 0.208 409 A C 2.147 179.781 177.584 0.084 0.000 1.172 409 A CA 1.005 53.098 52.037 0.094 0.000 0.786 409 A CB -0.620 18.410 19.000 0.050 0.000 0.804 409 A HN 0.439 nan 8.150 nan 0.000 0.479 410 G N -1.717 107.119 108.800 0.060 0.000 2.777 410 G HA2 0.251 4.211 3.960 -0.000 0.000 0.211 410 G HA3 0.251 4.211 3.960 -0.000 0.000 0.211 410 G C 0.332 175.182 174.900 -0.082 0.000 1.149 410 G CA -0.094 44.974 45.100 -0.054 0.000 0.785 410 G HN 0.442 nan 8.290 nan 0.000 0.536 411 Y N 0.429 120.767 120.300 0.064 0.000 2.301 411 Y HA 0.262 4.812 4.550 -0.000 0.000 0.328 411 Y C 1.790 177.752 175.900 0.104 0.000 1.242 411 Y CA -0.485 57.667 58.100 0.087 0.000 1.323 411 Y CB 0.839 39.313 38.460 0.023 0.000 1.266 411 Y HN 0.293 nan 8.280 nan 0.000 0.527 412 H N -1.207 117.964 119.070 0.167 0.000 2.551 412 H HA 0.214 4.770 4.556 -0.000 0.000 0.271 412 H C -0.462 174.917 175.328 0.084 0.000 0.984 412 H CA 0.484 56.590 56.048 0.097 0.000 1.164 412 H CB -0.145 29.656 29.762 0.065 0.000 1.437 412 H HN 0.551 nan 8.280 nan 0.000 0.550 413 T N -0.748 113.644 114.554 -0.270 0.000 2.906 413 T HA 0.441 4.791 4.350 -0.000 0.000 0.295 413 T C 0.168 174.797 174.700 -0.118 0.000 1.075 413 T CA -0.478 61.486 62.100 -0.227 0.000 1.005 413 T CB 2.451 71.116 68.868 -0.339 0.000 1.136 413 T HN 0.287 nan 8.240 nan 0.000 0.498 414 T N -0.631 113.870 114.554 -0.088 0.000 2.847 414 T HA 0.488 4.838 4.350 -0.000 0.000 0.279 414 T C 1.506 176.145 174.700 -0.102 0.000 0.984 414 T CA -1.028 61.026 62.100 -0.077 0.000 0.988 414 T CB 0.340 69.179 68.868 -0.048 0.000 1.040 414 T HN 0.572 nan 8.240 nan 0.000 0.528 415 I N 0.453 120.960 120.570 -0.105 0.000 2.493 415 I HA -0.121 4.049 4.170 -0.000 0.000 0.254 415 I C 2.387 178.458 176.117 -0.077 0.000 1.160 415 I CA 1.206 62.439 61.300 -0.112 0.000 1.445 415 I CB -0.359 37.575 38.000 -0.109 0.000 1.086 415 I HN 0.698 nan 8.210 nan 0.000 0.433 416 E N 0.677 120.842 120.200 -0.058 0.000 2.106 416 E HA -0.223 4.127 4.350 -0.000 0.000 0.192 416 E C 2.147 178.723 176.600 -0.040 0.000 0.984 416 E CA 1.069 57.444 56.400 -0.041 0.000 0.806 416 E CB -0.163 29.519 29.700 -0.030 0.000 0.750 416 E HN 0.498 nan 8.360 nan 0.000 0.458 417 Q N 0.304 120.075 119.800 -0.048 0.000 2.123 417 Q HA -0.135 4.205 4.340 -0.000 0.000 0.199 417 Q C 1.451 177.423 176.000 -0.047 0.000 0.966 417 Q CA 1.202 56.978 55.803 -0.044 0.000 0.845 417 Q CB 0.028 28.735 28.738 -0.052 0.000 0.907 417 Q HN 0.278 nan 8.270 nan 0.000 0.439 418 D N 0.670 121.031 120.400 -0.065 0.000 2.097 418 D HA -0.136 4.504 4.640 -0.000 0.000 0.195 418 D C 1.840 178.117 176.300 -0.037 0.000 0.989 418 D CA 1.126 55.091 54.000 -0.058 0.000 0.827 418 D CB -0.143 40.608 40.800 -0.083 0.000 0.966 418 D HN 0.164 nan 8.370 nan 0.000 0.456 419 R N 0.500 120.976 120.500 -0.040 0.000 2.120 419 R HA -0.099 4.241 4.340 -0.000 0.000 0.234 419 R C 2.200 178.490 176.300 -0.016 0.000 1.123 419 R CA 0.953 57.037 56.100 -0.027 0.000 0.975 419 R CB -0.077 30.205 30.300 -0.029 0.000 0.866 419 R HN 0.323 nan 8.270 nan 0.000 0.446 420 E N 0.946 121.135 120.200 -0.018 0.000 2.072 420 E HA -0.133 4.217 4.350 -0.000 0.000 0.190 420 E C 1.916 178.511 176.600 -0.007 0.000 0.982 420 E CA 0.618 57.011 56.400 -0.011 0.000 0.803 420 E CB 0.064 29.757 29.700 -0.011 0.000 0.755 420 E HN 0.236 nan 8.360 nan 0.000 0.453 421 L N 0.980 122.198 121.223 -0.009 0.000 2.012 421 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 421 L C 2.515 179.386 176.870 0.001 0.000 1.073 421 L CA 1.452 56.290 54.840 -0.003 0.000 0.748 421 L CB -0.367 41.690 42.059 -0.003 0.000 0.891 421 L HN 0.067 nan 8.230 nan 0.000 0.431 422 K N -0.264 120.137 120.400 0.001 0.000 2.360 422 K HA -0.209 4.111 4.320 -0.000 0.000 0.201 422 K C 1.616 178.220 176.600 0.006 0.000 1.046 422 K CA 0.887 57.179 56.287 0.008 0.000 0.940 422 K CB -0.091 32.415 32.500 0.010 0.000 0.748 422 K HN 0.136 nan 8.250 nan 0.000 0.465 423 E N 0.523 120.725 120.200 0.002 0.000 2.502 423 E HA 0.022 4.372 4.350 -0.000 0.000 0.194 423 E C 0.398 176.999 176.600 0.002 0.000 1.062 423 E CA 0.010 56.411 56.400 0.002 0.000 0.867 423 E CB 0.287 29.987 29.700 -0.001 0.000 0.888 423 E HN 0.346 nan 8.360 nan 0.000 0.510 424 G N -0.876 107.925 108.800 0.002 0.000 3.251 424 G HA2 0.280 4.240 3.960 -0.000 0.000 0.248 424 G HA3 0.280 4.240 3.960 -0.000 0.000 0.248 424 G C -0.802 174.100 174.900 0.002 0.000 1.320 424 G CA -0.834 44.267 45.100 0.002 0.000 0.982 424 G HN -0.011 nan 8.290 nan 0.000 0.575 425 N N 0.225 118.925 118.700 0.001 0.000 2.426 425 N HA 0.488 5.228 4.740 -0.000 0.000 0.275 425 N C -1.281 174.228 175.510 -0.001 0.000 1.019 425 N CA -0.274 52.777 53.050 0.001 0.000 0.941 425 N CB 1.996 40.483 38.487 -0.001 0.000 1.123 425 N HN 0.045 nan 8.380 nan 0.000 0.486 426 L N 1.682 122.906 121.223 0.001 0.000 2.362 426 L HA 0.226 4.566 4.340 -0.000 0.000 0.275 426 L C 0.177 177.042 176.870 -0.009 0.000 0.998 426 L CA -0.991 53.847 54.840 -0.003 0.000 0.820 426 L CB 1.346 43.409 42.059 0.005 0.000 1.270 426 L HN 0.510 nan 8.230 nan 0.000 0.415 427 D N 0.894 121.278 120.400 -0.027 0.000 2.525 427 D HA -0.040 4.600 4.640 -0.000 0.000 0.235 427 D C 1.252 177.528 176.300 -0.041 0.000 1.137 427 D CA 0.847 54.822 54.000 -0.042 0.000 0.868 427 D CB 1.063 41.819 40.800 -0.072 0.000 1.180 427 D HN 0.612 nan 8.370 nan 0.000 0.465 428 S N 4.072 119.761 115.700 -0.019 0.000 2.393 428 S HA -0.393 4.077 4.470 -0.000 0.000 0.234 428 S C 1.805 176.406 174.600 0.001 0.000 1.064 428 S CA 1.428 59.639 58.200 0.018 0.000 1.088 428 S CB -0.453 62.777 63.200 0.050 0.000 0.939 428 S HN 0.682 nan 8.310 nan 0.000 0.448 429 R N 0.382 120.798 120.500 -0.140 0.000 2.092 429 R HA 0.116 4.456 4.340 -0.000 0.000 0.231 429 R C 2.488 178.572 176.300 -0.360 0.000 1.119 429 R CA 1.269 57.126 56.100 -0.404 0.000 0.970 429 R CB -0.589 29.147 30.300 -0.941 0.000 0.864 429 R HN 0.443 nan 8.270 nan 0.000 0.440 430 L N 0.758 121.847 121.223 -0.224 0.000 2.056 430 L HA -0.005 4.335 4.340 -0.000 0.000 0.207 430 L C 2.211 179.087 176.870 0.010 0.000 1.078 430 L CA 1.782 56.561 54.840 -0.101 0.000 0.749 430 L CB -0.638 41.377 42.059 -0.073 0.000 0.901 430 L HN 0.097 nan 8.230 nan 0.000 0.433 431 A N -0.114 122.718 122.820 0.020 0.000 1.940 431 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 431 A C 2.279 179.933 177.584 0.117 0.000 1.176 431 A CA 2.192 54.266 52.037 0.061 0.000 0.631 431 A CB -0.881 18.154 19.000 0.058 0.000 0.814 431 A HN 0.534 nan 8.150 nan 0.000 0.446 432 I N -0.492 120.181 120.570 0.171 0.000 2.202 432 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 432 I C 2.992 179.284 176.117 0.293 0.000 1.091 432 I CA 1.060 62.522 61.300 0.270 0.000 1.368 432 I CB -0.406 37.855 38.000 0.436 0.000 1.058 432 I HN 0.364 nan 8.210 nan 0.000 0.410 433 A N 0.489 123.522 122.820 0.355 0.000 1.902 433 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 433 A C 2.420 180.116 177.584 0.186 0.000 1.181 433 A CA 1.656 53.893 52.037 0.333 0.000 0.623 433 A CB -0.915 18.303 19.000 0.364 0.000 0.818 433 A HN 0.240 nan 8.150 nan 0.000 0.443 434 V N -0.071 119.920 119.914 0.130 0.000 2.295 434 V HA -0.176 3.944 4.120 -0.000 0.000 0.246 434 V C 2.835 178.956 176.094 0.045 0.000 1.049 434 V CA 2.004 64.344 62.300 0.067 0.000 1.024 434 V CB -1.525 30.324 31.823 0.043 0.000 0.648 434 V HN 0.599 nan 8.190 nan 0.000 0.447 435 G N 0.085 108.932 108.800 0.079 0.000 2.418 435 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 435 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 435 G C 1.502 176.432 174.900 0.051 0.000 1.158 435 G CA 0.868 46.020 45.100 0.087 0.000 0.771 435 G HN 0.364 nan 8.290 nan 0.000 0.545 436 I N 2.014 122.634 120.570 0.083 0.000 2.142 436 I HA -0.163 4.007 4.170 -0.000 0.000 0.240 436 I C 3.006 179.112 176.117 -0.018 0.000 1.078 436 I CA 1.686 63.017 61.300 0.050 0.000 1.343 436 I CB -0.944 37.106 38.000 0.084 0.000 1.046 436 I HN 0.374 nan 8.210 nan 0.000 0.405 437 R N 1.221 121.740 120.500 0.030 0.000 2.120 437 R HA -0.175 4.165 4.340 -0.000 0.000 0.234 437 R C 1.944 178.111 176.300 -0.221 0.000 1.123 437 R CA 1.489 57.590 56.100 0.003 0.000 0.975 437 R CB -0.692 29.680 30.300 0.120 0.000 0.866 437 R HN 0.441 nan 8.270 nan 0.000 0.446 438 E N 0.987 121.064 120.200 -0.206 0.000 2.031 438 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 438 E C 2.068 178.417 176.600 -0.418 0.000 0.994 438 E CA 1.507 57.744 56.400 -0.272 0.000 0.800 438 E CB -0.372 29.214 29.700 -0.190 0.000 0.752 438 E HN 0.502 nan 8.360 nan 0.000 0.447 439 G N 1.072 109.470 108.800 -0.669 0.000 2.491 439 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.218 439 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.218 439 G C 1.412 176.031 174.900 -0.468 0.000 1.180 439 G CA 1.070 45.456 45.100 -1.190 0.000 0.774 439 G HN 0.367 nan 8.290 nan 0.000 0.562 440 E N 0.189 120.244 120.200 -0.242 0.000 2.160 440 E HA -0.119 4.231 4.350 -0.000 0.000 0.195 440 E C 2.548 179.072 176.600 -0.128 0.000 0.991 440 E CA 0.883 57.284 56.400 0.002 0.000 0.810 440 E CB -0.037 29.797 29.700 0.224 0.000 0.742 440 E HN 0.423 nan 8.360 nan 0.000 0.466 441 K N -0.070 120.136 120.400 -0.324 0.000 2.155 441 K HA -0.042 4.278 4.320 -0.000 0.000 0.203 441 K C 2.110 178.600 176.600 -0.183 0.000 1.052 441 K CA 0.875 56.961 56.287 -0.335 0.000 0.948 441 K CB -0.028 32.218 32.500 -0.424 0.000 0.728 441 K HN 0.160 nan 8.250 nan 0.000 0.448 442 M N 0.482 119.970 119.600 -0.186 0.000 2.099 442 M HA -0.157 4.323 4.480 -0.000 0.000 0.262 442 M C 2.250 178.614 176.300 0.106 0.000 1.067 442 M CA 1.331 56.579 55.300 -0.087 0.000 1.124 442 M CB -0.276 32.125 32.600 -0.331 0.000 1.353 442 M HN -0.093 nan 8.290 nan 0.000 0.410 443 V N 0.469 120.441 119.914 0.096 0.000 2.295 443 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 443 V C 2.364 178.481 176.094 0.039 0.000 1.049 443 V CA 1.410 63.814 62.300 0.173 0.000 1.024 443 V CB -0.675 31.248 31.823 0.167 0.000 0.648 443 V HN 0.338 nan 8.190 nan 0.000 0.447 444 L N -0.208 120.960 121.223 -0.092 0.000 2.013 444 L HA -0.233 4.107 4.340 -0.000 0.000 0.212 444 L C 2.560 179.395 176.870 -0.059 0.000 1.073 444 L CA 1.914 56.655 54.840 -0.166 0.000 0.753 444 L CB -1.326 40.604 42.059 -0.215 0.000 0.890 444 L HN 0.420 nan 8.230 nan 0.000 0.432 445 Q N -1.382 118.402 119.800 -0.026 0.000 2.167 445 Q HA -0.253 4.087 4.340 -0.000 0.000 0.202 445 Q C 2.180 178.210 176.000 0.050 0.000 0.970 445 Q CA 1.446 57.254 55.803 0.009 0.000 0.855 445 Q CB -0.069 28.673 28.738 0.006 0.000 0.911 445 Q HN 0.594 nan 8.270 nan 0.000 0.438 446 Q N 0.784 120.637 119.800 0.088 0.000 2.079 446 Q HA -0.154 4.186 4.340 -0.000 0.000 0.200 446 Q C 1.970 178.016 176.000 0.076 0.000 0.974 446 Q CA 1.043 56.895 55.803 0.083 0.000 0.840 446 Q CB 0.002 28.799 28.738 0.098 0.000 0.898 446 Q HN 0.387 nan 8.270 nan 0.000 0.430 447 I N 1.275 121.899 120.570 0.090 0.000 2.226 447 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 447 I C 2.366 178.612 176.117 0.216 0.000 1.100 447 I CA 1.526 62.920 61.300 0.156 0.000 1.374 447 I CB -0.469 37.586 38.000 0.092 0.000 1.057 447 I HN 0.414 nan 8.210 nan 0.000 0.413 448 D N 0.999 121.461 120.400 0.104 0.000 2.144 448 D HA -0.144 4.496 4.640 -0.000 0.000 0.200 448 D C 2.136 178.507 176.300 0.119 0.000 0.978 448 D CA 1.536 55.595 54.000 0.099 0.000 0.833 448 D CB 0.076 40.895 40.800 0.030 0.000 0.961 448 D HN 0.372 nan 8.370 nan 0.000 0.470 449 G N 1.136 109.985 108.800 0.082 0.000 2.402 449 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.216 449 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.216 449 G C 1.944 176.867 174.900 0.039 0.000 1.162 449 G CA 0.278 45.409 45.100 0.051 0.000 0.777 449 G HN 0.303 nan 8.290 nan 0.000 0.539 450 I N -0.235 120.358 120.570 0.037 0.000 2.163 450 I HA -0.165 4.005 4.170 -0.000 0.000 0.243 450 I C 2.316 178.340 176.117 -0.155 0.000 1.085 450 I CA 1.110 62.364 61.300 -0.077 0.000 1.347 450 I CB -0.229 37.696 38.000 -0.125 0.000 1.044 450 I HN 0.087 nan 8.210 nan 0.000 0.408 451 F N 0.583 120.519 119.950 -0.022 0.000 2.558 451 F HA -0.097 4.430 4.527 -0.000 0.000 0.298 451 F C 2.453 178.244 175.800 -0.016 0.000 1.119 451 F CA 0.890 58.878 58.000 -0.021 0.000 1.451 451 F CB -0.358 38.627 39.000 -0.024 0.000 1.091 451 F HN 0.104 nan 8.300 nan 0.000 0.563 452 E N -0.054 120.219 120.200 0.123 0.000 2.072 452 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 452 E C 2.193 178.810 176.600 0.027 0.000 0.985 452 E CA 0.925 57.366 56.400 0.069 0.000 0.801 452 E CB 0.038 29.767 29.700 0.049 0.000 0.750 452 E HN 0.274 nan 8.360 nan 0.000 0.452 453 Q N 0.822 120.620 119.800 -0.004 0.000 2.030 453 Q HA -0.193 4.147 4.340 -0.000 0.000 0.204 453 Q C 2.169 178.150 176.000 -0.032 0.000 0.986 453 Q CA 1.348 57.135 55.803 -0.027 0.000 0.843 453 Q CB -0.247 28.459 28.738 -0.053 0.000 0.904 453 Q HN 0.249 nan 8.270 nan 0.000 0.420 454 K N 0.605 120.968 120.400 -0.062 0.000 2.127 454 K HA -0.208 4.112 4.320 -0.000 0.000 0.208 454 K C 1.878 178.480 176.600 0.004 0.000 1.047 454 K CA 1.481 57.731 56.287 -0.063 0.000 0.927 454 K CB -0.034 32.387 32.500 -0.132 0.000 0.716 454 K HN 0.327 nan 8.250 nan 0.000 0.450 455 E N 0.335 120.556 120.200 0.035 0.000 2.204 455 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 455 E C 2.041 178.657 176.600 0.027 0.000 0.989 455 E CA 0.659 57.086 56.400 0.045 0.000 0.824 455 E CB 0.034 29.765 29.700 0.052 0.000 0.756 455 E HN 0.293 nan 8.360 nan 0.000 0.477 456 L N 0.719 121.950 121.223 0.013 0.000 2.034 456 L HA -0.111 4.229 4.340 -0.000 0.000 0.203 456 L C 1.793 178.664 176.870 0.001 0.000 1.074 456 L CA 1.060 55.903 54.840 0.006 0.000 0.748 456 L CB -0.330 41.728 42.059 -0.002 0.000 0.905 456 L HN 0.026 nan 8.230 nan 0.000 0.439 457 E N 0.603 120.796 120.200 -0.011 0.000 2.461 457 E HA -0.130 4.220 4.350 -0.000 0.000 0.196 457 E C 1.665 178.258 176.600 -0.012 0.000 1.129 457 E CA -0.122 56.265 56.400 -0.022 0.000 0.902 457 E CB -0.032 29.642 29.700 -0.043 0.000 0.963 457 E HN 0.211 nan 8.360 nan 0.000 0.503 458 L N 1.145 122.381 121.223 0.021 0.000 2.351 458 L HA -0.197 4.143 4.340 -0.000 0.000 0.220 458 L C 0.914 177.839 176.870 0.092 0.000 1.127 458 L CA 1.720 56.603 54.840 0.071 0.000 0.786 458 L CB 0.016 42.122 42.059 0.078 0.000 0.914 458 L HN 0.039 nan 8.230 nan 0.000 0.443 459 D N -2.429 117.990 120.400 0.031 0.000 2.433 459 D HA 0.062 4.702 4.640 -0.000 0.000 0.211 459 D C 1.592 177.858 176.300 -0.057 0.000 1.114 459 D CA 0.172 54.182 54.000 0.017 0.000 0.837 459 D CB 0.341 41.159 40.800 0.029 0.000 0.984 459 D HN 0.412 nan 8.370 nan 0.000 0.505 460 Q N -0.114 119.637 119.800 -0.081 0.000 2.392 460 Q HA 0.203 4.543 4.340 -0.000 0.000 0.203 460 Q C 0.328 176.228 176.000 -0.167 0.000 0.917 460 Q CA 0.230 55.973 55.803 -0.100 0.000 0.939 460 Q CB 1.043 29.737 28.738 -0.074 0.000 1.063 460 Q HN 0.192 nan 8.270 nan 0.000 0.516 461 L N 2.511 123.569 121.223 -0.276 0.000 2.292 461 L HA 0.165 4.505 4.340 -0.000 0.000 0.284 461 L C 0.115 176.619 176.870 -0.610 0.000 1.065 461 L CA -0.379 54.200 54.840 -0.434 0.000 0.806 461 L CB 0.990 42.719 42.059 -0.551 0.000 1.175 461 L HN 0.164 nan 8.230 nan 0.000 0.431 462 E N 3.865 123.830 120.200 -0.393 0.000 2.014 462 E HA 0.230 4.580 4.350 -0.000 0.000 0.275 462 E C -0.967 175.488 176.600 -0.242 0.000 0.997 462 E CA -0.542 55.682 56.400 -0.292 0.000 0.804 462 E CB 0.291 29.908 29.700 -0.138 0.000 1.090 462 E HN 0.377 nan 8.360 nan 0.000 0.401 463 Y N 0.933 121.230 120.300 -0.005 0.000 2.223 463 Y HA -0.156 4.394 4.550 -0.000 0.000 0.352 463 Y C 1.655 177.569 175.900 0.023 0.000 1.293 463 Y CA -0.444 57.665 58.100 0.014 0.000 1.601 463 Y CB 0.069 38.537 38.460 0.014 0.000 1.407 463 Y HN 0.573 nan 8.280 nan 0.000 0.639 464 Y N 0.654 121.040 120.300 0.144 0.000 2.053 464 Y HA -0.355 4.195 4.550 -0.000 0.000 0.277 464 Y C 2.317 178.246 175.900 0.049 0.000 1.159 464 Y CA 2.090 60.203 58.100 0.022 0.000 1.125 464 Y CB -0.374 38.032 38.460 -0.090 0.000 0.969 464 Y HN 0.542 nan 8.280 nan 0.000 0.492 465 Q N 0.453 120.203 119.800 -0.083 0.000 2.029 465 Q HA -0.304 4.036 4.340 -0.000 0.000 0.209 465 Q C 2.312 178.209 176.000 -0.171 0.000 0.999 465 Q CA 2.224 57.929 55.803 -0.163 0.000 0.857 465 Q CB -0.866 27.879 28.738 0.011 0.000 0.926 465 Q HN 0.716 nan 8.270 nan 0.000 0.415 466 E N 0.498 120.664 120.200 -0.057 0.000 2.130 466 E HA -0.200 4.150 4.350 -0.000 0.000 0.196 466 E C 2.014 178.560 176.600 -0.089 0.000 0.998 466 E CA 0.868 57.236 56.400 -0.053 0.000 0.806 466 E CB 0.094 29.784 29.700 -0.017 0.000 0.738 466 E HN 0.236 nan 8.360 nan 0.000 0.459 467 R N -0.136 120.297 120.500 -0.112 0.000 2.148 467 R HA -0.085 4.255 4.340 -0.000 0.000 0.227 467 R C 2.526 178.746 176.300 -0.132 0.000 1.103 467 R CA 0.977 57.022 56.100 -0.091 0.000 0.983 467 R CB -0.229 30.052 30.300 -0.030 0.000 0.874 467 R HN 0.125 nan 8.270 nan 0.000 0.451 468 R N 0.920 121.257 120.500 -0.272 0.000 2.119 468 R HA 0.010 4.350 4.340 -0.000 0.000 0.222 468 R C 1.697 177.925 176.300 -0.120 0.000 1.088 468 R CA 0.793 56.748 56.100 -0.241 0.000 0.984 468 R CB 0.133 30.177 30.300 -0.425 0.000 0.884 468 R HN 0.183 nan 8.270 nan 0.000 0.447 469 L N 0.397 121.556 121.223 -0.107 0.000 2.567 469 L HA 0.059 4.399 4.340 -0.000 0.000 0.225 469 L C 1.891 178.735 176.870 -0.043 0.000 1.119 469 L CA 0.003 54.806 54.840 -0.063 0.000 0.871 469 L CB -0.104 41.921 42.059 -0.056 0.000 1.036 469 L HN -0.006 nan 8.230 nan 0.000 0.459 470 K N 1.265 121.639 120.400 -0.044 0.000 2.074 470 K HA -0.155 4.165 4.320 -0.000 0.000 0.209 470 K C 0.388 176.976 176.600 -0.019 0.000 1.048 470 K CA 1.297 57.567 56.287 -0.029 0.000 0.926 470 K CB -0.429 32.056 32.500 -0.026 0.000 0.713 470 K HN 0.453 nan 8.250 nan 0.000 0.444 471 D N 0.377 120.767 120.400 -0.016 0.000 2.638 471 D HA 0.075 4.715 4.640 -0.000 0.000 0.245 471 D C 0.790 177.085 176.300 -0.009 0.000 1.176 471 D CA -0.100 53.895 54.000 -0.008 0.000 0.996 471 D CB 0.145 40.945 40.800 0.000 0.000 1.012 471 D HN -0.015 nan 8.370 nan 0.000 0.515 472 L N 0.726 121.942 121.223 -0.011 0.000 2.537 472 L HA 0.258 4.598 4.340 -0.000 0.000 0.224 472 L C 1.177 178.043 176.870 -0.006 0.000 1.065 472 L CA 0.543 55.376 54.840 -0.010 0.000 0.860 472 L CB 0.111 42.161 42.059 -0.015 0.000 1.086 472 L HN 0.597 nan 8.230 nan 0.000 0.482 473 G N 1.000 109.796 108.800 -0.005 0.000 2.350 473 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.298 473 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.298 473 G C 0.729 175.627 174.900 -0.003 0.000 1.037 473 G CA 0.555 45.653 45.100 -0.003 0.000 1.074 473 G HN 0.357 nan 8.290 nan 0.000 0.511 474 L N -1.353 119.868 121.223 -0.005 0.000 2.056 474 L HA -0.059 4.281 4.340 -0.000 0.000 0.207 474 L C 1.975 178.844 176.870 -0.003 0.000 1.078 474 L CA 1.294 56.132 54.840 -0.004 0.000 0.749 474 L CB -0.166 41.889 42.059 -0.006 0.000 0.901 474 L HN 0.499 nan 8.230 nan 0.000 0.433 475 C N 1.038 120.336 119.300 -0.003 0.000 2.379 475 C HA 0.426 4.886 4.460 -0.000 0.000 0.476 475 C C 1.420 176.410 174.990 -0.000 0.000 1.068 475 C CA -0.831 58.186 59.018 -0.002 0.000 1.406 475 C CB -1.390 26.348 27.740 -0.003 0.000 1.496 475 C HN 0.489 nan 8.230 nan 0.000 0.551 476 G N 1.498 110.299 108.800 0.001 0.000 3.387 476 G HA2 0.428 4.388 3.960 -0.000 0.000 0.195 476 G HA3 0.428 4.388 3.960 -0.000 0.000 0.195 476 G C -0.057 174.846 174.900 0.003 0.000 1.853 476 G CA -0.041 45.060 45.100 0.002 0.000 0.879 476 G HN 0.637 nan 8.290 nan 0.000 0.651 477 E N -0.425 119.779 120.200 0.006 0.000 2.355 477 E HA 0.325 4.675 4.350 -0.000 0.000 0.261 477 E C -1.062 175.542 176.600 0.008 0.000 0.943 477 E CA -0.956 55.449 56.400 0.007 0.000 0.806 477 E CB 1.369 31.075 29.700 0.008 0.000 1.286 477 E HN 0.144 nan 8.360 nan 0.000 0.424 478 N N 0.522 119.227 118.700 0.009 0.000 3.050 478 N HA 0.080 4.820 4.740 -0.000 0.000 0.289 478 N C 0.971 176.489 175.510 0.014 0.000 1.209 478 N CA 0.554 53.610 53.050 0.009 0.000 1.154 478 N CB -0.107 38.384 38.487 0.007 0.000 1.444 478 N HN 0.719 nan 8.380 nan 0.000 0.529 479 G N 1.463 110.272 108.800 0.016 0.000 2.547 479 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.221 479 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.221 479 G C 1.162 176.079 174.900 0.028 0.000 1.140 479 G CA 0.627 45.742 45.100 0.025 0.000 0.760 479 G HN 0.492 nan 8.290 nan 0.000 0.583 480 D N 0.308 120.718 120.400 0.017 0.000 2.228 480 D HA -0.115 4.525 4.640 -0.000 0.000 0.203 480 D C 2.485 178.794 176.300 0.016 0.000 0.988 480 D CA 0.466 54.473 54.000 0.010 0.000 0.864 480 D CB -0.059 40.741 40.800 0.000 0.000 0.928 480 D HN 0.230 nan 8.370 nan 0.000 0.469 481 I N 0.291 120.873 120.570 0.020 0.000 2.286 481 I HA -0.226 3.944 4.170 -0.000 0.000 0.248 481 I C 2.178 178.320 176.117 0.041 0.000 1.115 481 I CA 0.757 62.071 61.300 0.023 0.000 1.392 481 I CB -0.736 37.276 38.000 0.020 0.000 1.065 481 I HN 0.046 nan 8.210 nan 0.000 0.418 482 L N 0.011 121.269 121.223 0.059 0.000 2.209 482 L HA -0.008 4.332 4.340 -0.000 0.000 0.207 482 L C 2.360 179.330 176.870 0.167 0.000 1.094 482 L CA 0.966 55.867 54.840 0.102 0.000 0.790 482 L CB -0.812 41.302 42.059 0.092 0.000 0.932 482 L HN 0.105 nan 8.230 nan 0.000 0.447 483 E N 0.419 120.681 120.200 0.104 0.000 2.209 483 E HA -0.156 4.194 4.350 -0.000 0.000 0.196 483 E C 1.116 177.660 176.600 -0.095 0.000 0.993 483 E CA 0.848 57.261 56.400 0.023 0.000 0.819 483 E CB -0.267 29.423 29.700 -0.017 0.000 0.745 483 E HN 0.559 nan 8.360 nan 0.000 0.477 484 N N 0.122 118.808 118.700 -0.022 0.000 2.336 484 N HA 0.041 4.781 4.740 -0.000 0.000 0.189 484 N C 1.322 176.837 175.510 0.008 0.000 1.113 484 N CA 0.109 53.136 53.050 -0.039 0.000 0.858 484 N CB 0.396 38.872 38.487 -0.019 0.000 0.970 484 N HN 0.176 nan 8.380 nan 0.000 0.471 485 L N 0.448 121.724 121.223 0.089 0.000 2.627 485 L HA 0.121 4.461 4.340 -0.000 0.000 0.232 485 L C -0.227 176.785 176.870 0.238 0.000 1.150 485 L CA 0.017 54.938 54.840 0.134 0.000 0.917 485 L CB -0.391 41.745 42.059 0.128 0.000 1.104 485 L HN 0.186 nan 8.230 nan 0.000 0.445 486 Y N 0.000 120.300 120.300 -0.001 0.000 2.660 486 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 486 Y CA 0.000 58.100 58.100 -0.000 0.000 1.940 486 Y CB 0.000 38.460 38.460 -0.000 0.000 1.050 486 Y HN 0.000 nan 8.280 nan 0.000 0.758