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 1ozv_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 RSRAFSRLRN ENLVVVPMAD LINHSAGVTT DATA SEQUENCE EDHAYEVKXX 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 DILENLYF 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 0.000 176.869 176.870 -0.002 0.000 1.165 50 L CA 0.000 54.829 54.840 -0.018 0.000 0.813 50 L CB 0.000 42.034 42.059 -0.041 0.000 0.961 51 S N -0.368 115.339 115.700 0.012 0.000 2.592 51 S HA 0.491 4.961 4.470 -0.000 0.000 0.275 51 S C -2.488 172.142 174.600 0.051 0.000 1.169 51 S CA -0.842 57.374 58.200 0.027 0.000 0.958 51 S CB 1.847 65.062 63.200 0.025 0.000 1.095 51 S HN 0.125 nan 8.310 nan 0.000 0.471 52 P HA -0.095 nan 4.420 nan 0.000 0.212 52 P C 1.553 178.906 177.300 0.088 0.000 1.178 52 P CA 2.332 65.469 63.100 0.062 0.000 0.915 52 P CB 0.028 31.758 31.700 0.049 0.000 0.788 53 A N -0.931 121.942 122.820 0.087 0.000 1.986 53 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 53 A C 2.305 179.992 177.584 0.171 0.000 1.171 53 A CA 2.135 54.242 52.037 0.117 0.000 0.640 53 A CB -1.758 17.295 19.000 0.088 0.000 0.811 53 A HN 0.072 nan 8.150 nan 0.000 0.451 54 V N -0.951 119.053 119.914 0.151 0.000 2.346 54 V HA -0.227 3.893 4.120 -0.000 0.000 0.244 54 V C 2.600 178.866 176.094 0.286 0.000 1.037 54 V CA 2.048 64.480 62.300 0.220 0.000 1.029 54 V CB -0.806 31.087 31.823 0.117 0.000 0.663 54 V HN 0.638 nan 8.190 nan 0.000 0.454 55 Q N 0.328 120.238 119.800 0.183 0.000 2.173 55 Q HA -0.221 4.119 4.340 -0.000 0.000 0.208 55 Q C 2.211 178.340 176.000 0.216 0.000 0.989 55 Q CA 2.665 58.578 55.803 0.183 0.000 0.872 55 Q CB -0.528 28.277 28.738 0.111 0.000 0.909 55 Q HN 0.690 nan 8.270 nan 0.000 0.420 56 T N -0.193 114.467 114.554 0.176 0.000 2.674 56 T HA -0.142 4.208 4.350 -0.000 0.000 0.265 56 T C 1.265 176.067 174.700 0.170 0.000 1.039 56 T CA 1.234 63.385 62.100 0.085 0.000 1.150 56 T CB -0.543 68.343 68.868 0.030 0.000 0.864 56 T HN 0.362 nan 8.240 nan 0.000 0.427 57 F N 0.439 120.516 119.950 0.211 0.000 2.126 57 F HA -0.078 4.449 4.527 -0.000 0.000 0.299 57 F C 2.161 178.249 175.800 0.480 0.000 1.096 57 F CA 1.036 59.278 58.000 0.403 0.000 1.255 57 F CB -0.341 38.906 39.000 0.411 0.000 0.997 57 F HN 0.282 nan 8.300 nan 0.000 0.479 58 W N 0.910 122.312 121.300 0.170 0.000 2.436 58 W HA -0.154 4.506 4.660 -0.000 0.000 0.284 58 W C 2.071 178.579 176.519 -0.017 0.000 1.225 58 W CA 0.779 58.145 57.345 0.034 0.000 1.271 58 W CB -0.027 29.491 29.460 0.096 0.000 1.114 58 W HN -0.113 nan 8.180 nan 0.000 0.559 59 K N -0.247 120.244 120.400 0.152 0.000 2.057 59 K HA -0.209 4.111 4.320 -0.000 0.000 0.206 59 K C 1.598 178.187 176.600 -0.019 0.000 1.050 59 K CA 1.519 57.828 56.287 0.036 0.000 0.935 59 K CB -1.269 31.266 32.500 0.058 0.000 0.715 59 K HN 0.256 nan 8.250 nan 0.000 0.439 60 W N 2.129 123.325 121.300 -0.173 0.000 2.363 60 W HA -0.149 4.511 4.660 -0.000 0.000 0.296 60 W C 1.533 177.928 176.519 -0.207 0.000 1.212 60 W CA 1.218 58.477 57.345 -0.144 0.000 1.260 60 W CB -0.424 29.028 29.460 -0.014 0.000 1.131 60 W HN -0.055 nan 8.180 nan 0.000 0.530 61 L N 0.448 121.328 121.223 -0.572 0.000 2.191 61 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 61 L C 2.540 179.038 176.870 -0.620 0.000 1.103 61 L CA 1.318 55.664 54.840 -0.824 0.000 0.769 61 L CB -0.905 40.657 42.059 -0.828 0.000 0.908 61 L HN 0.144 nan 8.230 nan 0.000 0.438 62 Q N 0.442 119.960 119.800 -0.469 0.000 2.020 62 Q HA -0.146 4.194 4.340 -0.000 0.000 0.198 62 Q C 0.815 176.656 176.000 -0.266 0.000 0.974 62 Q CA 1.052 56.655 55.803 -0.333 0.000 0.829 62 Q CB -0.044 28.553 28.738 -0.235 0.000 0.894 62 Q HN 0.495 nan 8.270 nan 0.000 0.433 63 E N 0.924 120.986 120.200 -0.231 0.000 2.705 63 E HA -0.045 4.305 4.350 -0.000 0.000 0.272 63 E C -0.083 176.369 176.600 -0.247 0.000 1.528 63 E CA 0.095 56.397 56.400 -0.164 0.000 1.750 63 E CB 0.176 29.841 29.700 -0.058 0.000 1.439 63 E HN 0.206 nan 8.360 nan 0.000 0.449 64 E N -1.005 119.006 120.200 -0.315 0.000 2.614 64 E HA 0.065 4.415 4.350 -0.000 0.000 0.192 64 E C 0.930 177.369 176.600 -0.268 0.000 0.930 64 E CA 0.438 56.628 56.400 -0.350 0.000 1.346 64 E CB 1.003 30.326 29.700 -0.629 0.000 1.252 64 E HN 0.385 nan 8.360 nan 0.000 0.647 65 G N 1.651 110.312 108.800 -0.232 0.000 2.148 65 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.254 65 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.254 65 G C 1.087 175.875 174.900 -0.187 0.000 0.981 65 G CA 0.812 45.806 45.100 -0.176 0.000 0.670 65 G HN 0.174 nan 8.290 nan 0.000 0.528 66 V N 0.798 120.555 119.914 -0.261 0.000 2.261 66 V HA 0.192 4.311 4.120 -0.000 0.000 0.235 66 V C 1.915 177.867 176.094 -0.237 0.000 1.044 66 V CA 1.416 63.566 62.300 -0.250 0.000 1.007 66 V CB -0.364 31.247 31.823 -0.353 0.000 0.647 66 V HN 0.560 nan 8.190 nan 0.000 0.462 67 I N 1.940 122.305 120.570 -0.342 0.000 2.406 67 I HA 0.071 4.241 4.170 -0.000 0.000 0.293 67 I C 1.245 177.230 176.117 -0.219 0.000 1.101 67 I CA 0.279 61.383 61.300 -0.327 0.000 1.334 67 I CB 0.707 38.349 38.000 -0.596 0.000 1.421 67 I HN 0.611 nan 8.210 nan 0.000 0.513 68 T N 3.800 118.274 114.554 -0.133 0.000 3.401 68 T HA 0.454 4.804 4.350 -0.000 0.000 0.225 68 T C 0.964 175.632 174.700 -0.053 0.000 0.961 68 T CA 0.612 62.657 62.100 -0.090 0.000 1.429 68 T CB 0.246 69.073 68.868 -0.068 0.000 1.213 68 T HN 0.629 nan 8.240 nan 0.000 0.440 69 A N -0.254 122.548 122.820 -0.030 0.000 2.249 69 A HA 0.455 4.775 4.320 -0.000 0.000 0.157 69 A C 1.447 179.033 177.584 0.003 0.000 1.879 69 A CA 0.315 52.348 52.037 -0.008 0.000 1.424 69 A CB -0.265 18.729 19.000 -0.010 0.000 1.616 69 A HN 0.342 nan 8.150 nan 0.000 0.377 70 K N 2.306 122.705 120.400 -0.003 0.000 2.469 70 K HA 0.137 4.457 4.320 -0.000 0.000 0.201 70 K C 0.177 176.785 176.600 0.014 0.000 1.028 70 K CA 0.969 57.259 56.287 0.005 0.000 1.170 70 K CB -0.491 32.009 32.500 -0.001 0.000 0.874 70 K HN 0.449 nan 8.250 nan 0.000 0.507 71 T N -1.040 113.526 114.554 0.020 0.000 3.016 71 T HA 0.338 4.688 4.350 -0.000 0.000 0.335 71 T C -2.261 172.485 174.700 0.076 0.000 1.176 71 T CA -2.114 60.010 62.100 0.041 0.000 0.987 71 T CB 1.152 70.031 68.868 0.019 0.000 1.073 71 T HN -0.095 nan 8.240 nan 0.000 0.547 72 P HA 0.158 nan 4.420 nan 0.000 0.274 72 P C -0.250 177.102 177.300 0.086 0.000 1.370 72 P CA 0.300 63.440 63.100 0.067 0.000 0.760 72 P CB -0.032 31.697 31.700 0.048 0.000 1.308 73 V N -0.541 119.458 119.914 0.142 0.000 2.969 73 V HA 0.484 4.604 4.120 -0.000 0.000 0.304 73 V C -0.957 175.298 176.094 0.269 0.000 1.192 73 V CA -0.890 61.502 62.300 0.154 0.000 0.962 73 V CB 2.484 34.389 31.823 0.137 0.000 1.045 73 V HN 0.028 nan 8.190 nan 0.000 0.428 74 K N 5.129 125.577 120.400 0.081 0.000 2.331 74 K HA 0.992 5.312 4.320 -0.000 0.000 0.238 74 K C -0.559 175.762 176.600 -0.464 0.000 1.058 74 K CA -0.489 55.680 56.287 -0.198 0.000 0.871 74 K CB 2.188 34.558 32.500 -0.217 0.000 1.292 74 K HN 0.972 nan 8.250 nan 0.000 0.470 75 A N 0.555 122.816 122.820 -0.931 0.000 2.303 75 A HA 0.672 4.992 4.320 -0.000 0.000 0.317 75 A C -0.667 176.715 177.584 -0.336 0.000 1.149 75 A CA -0.326 51.383 52.037 -0.547 0.000 0.822 75 A CB 0.458 19.115 19.000 -0.572 0.000 1.131 75 A HN 0.862 nan 8.150 nan 0.000 0.493 76 S N -0.470 115.115 115.700 -0.190 0.000 2.615 76 S HA 0.543 5.012 4.470 -0.000 0.000 0.269 76 S C -1.106 173.446 174.600 -0.081 0.000 1.161 76 S CA -0.730 57.393 58.200 -0.129 0.000 0.817 76 S CB 0.843 63.974 63.200 -0.116 0.000 1.131 76 S HN 0.909 nan 8.310 nan 0.000 0.467 77 V N 2.321 122.200 119.914 -0.059 0.000 2.372 77 V HA 0.508 4.628 4.120 -0.000 0.000 0.261 77 V C 0.432 176.508 176.094 -0.030 0.000 1.055 77 V CA -0.203 62.076 62.300 -0.036 0.000 0.930 77 V CB 0.038 31.846 31.823 -0.025 0.000 1.031 77 V HN 0.891 nan 8.190 nan 0.000 0.479 78 V N 2.218 122.118 119.914 -0.024 0.000 3.096 78 V HA 0.553 4.673 4.120 -0.000 0.000 0.319 78 V C 1.450 177.546 176.094 0.003 0.000 1.103 78 V CA 0.139 62.431 62.300 -0.013 0.000 1.016 78 V CB 1.429 33.239 31.823 -0.022 0.000 1.090 78 V HN 0.769 nan 8.190 nan 0.000 0.449 79 T N -1.032 113.529 114.554 0.012 0.000 2.822 79 T HA -0.188 4.161 4.350 -0.000 0.000 0.270 79 T C 0.932 175.643 174.700 0.018 0.000 1.064 79 T CA 1.825 63.933 62.100 0.014 0.000 1.131 79 T CB -0.562 68.314 68.868 0.014 0.000 0.858 79 T HN 0.991 nan 8.240 nan 0.000 0.483 80 E N 1.486 121.700 120.200 0.022 0.000 2.370 80 E HA 0.425 4.775 4.350 -0.000 0.000 0.194 80 E C 1.316 177.938 176.600 0.036 0.000 1.057 80 E CA 0.259 56.674 56.400 0.026 0.000 1.011 80 E CB -0.412 29.295 29.700 0.012 0.000 1.132 80 E HN 0.673 nan 8.360 nan 0.000 0.450 81 G N 1.142 109.957 108.800 0.026 0.000 3.138 81 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.247 81 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.247 81 G C -0.510 174.394 174.900 0.007 0.000 1.642 81 G CA -0.159 44.954 45.100 0.022 0.000 1.087 81 G HN 0.246 nan 8.290 nan 0.000 0.558 82 L N 1.275 122.504 121.223 0.009 0.000 2.354 82 L HA 0.786 5.126 4.340 -0.000 0.000 0.269 82 L C 0.704 177.574 176.870 -0.000 0.000 1.005 82 L CA -0.212 54.624 54.840 -0.005 0.000 0.819 82 L CB 2.075 44.132 42.059 -0.003 0.000 1.311 82 L HN 1.185 nan 8.230 nan 0.000 0.423 83 G N 1.669 110.450 108.800 -0.031 0.000 2.788 83 G HA2 0.651 4.610 3.960 -0.000 0.000 0.293 83 G HA3 0.651 4.610 3.960 -0.000 0.000 0.293 83 G C -1.723 173.141 174.900 -0.060 0.000 1.392 83 G CA -0.693 44.380 45.100 -0.046 0.000 0.810 83 G HN 0.339 nan 8.290 nan 0.000 0.508 84 L N 1.133 122.313 121.223 -0.071 0.000 2.294 84 L HA 0.481 4.821 4.340 -0.000 0.000 0.283 84 L C -0.500 176.314 176.870 -0.094 0.000 1.015 84 L CA -0.854 53.960 54.840 -0.044 0.000 0.831 84 L CB 1.564 43.649 42.059 0.044 0.000 1.217 84 L HN 0.106 nan 8.230 nan 0.000 0.420 85 V N 3.054 122.913 119.914 -0.092 0.000 2.370 85 V HA 0.386 4.506 4.120 -0.000 0.000 0.279 85 V C 0.778 176.850 176.094 -0.037 0.000 1.029 85 V CA -0.661 61.589 62.300 -0.083 0.000 0.870 85 V CB 1.610 33.379 31.823 -0.089 0.000 0.984 85 V HN 0.863 nan 8.190 nan 0.000 0.451 86 A N 5.413 128.218 122.820 -0.025 0.000 2.566 86 A HA 0.188 4.508 4.320 -0.000 0.000 0.245 86 A C 1.039 178.629 177.584 0.011 0.000 1.056 86 A CA 0.158 52.197 52.037 0.005 0.000 0.757 86 A CB -0.096 18.906 19.000 0.003 0.000 0.979 86 A HN 0.931 nan 8.150 nan 0.000 0.508 87 L N 0.511 121.754 121.223 0.033 0.000 2.478 87 L HA 0.104 4.443 4.340 -0.000 0.000 0.223 87 L C 0.746 177.632 176.870 0.027 0.000 1.140 87 L CA 0.950 55.812 54.840 0.036 0.000 0.842 87 L CB -0.211 41.887 42.059 0.065 0.000 0.953 87 L HN 0.739 nan 8.230 nan 0.000 0.452 88 K N -0.864 119.550 120.400 0.024 0.000 2.675 88 K HA 0.161 4.481 4.320 -0.000 0.000 0.280 88 K C -1.642 174.969 176.600 0.017 0.000 0.993 88 K CA -0.722 55.577 56.287 0.019 0.000 0.863 88 K CB 0.790 33.303 32.500 0.021 0.000 1.438 88 K HN -0.260 nan 8.250 nan 0.000 0.389 89 D N 2.196 122.604 120.400 0.014 0.000 3.139 89 D HA -0.055 4.585 4.640 -0.000 0.000 0.212 89 D C -0.136 176.174 176.300 0.016 0.000 1.084 89 D CA 1.275 55.283 54.000 0.013 0.000 0.777 89 D CB -0.071 40.736 40.800 0.011 0.000 1.156 89 D HN 0.351 nan 8.370 nan 0.000 0.537 90 I N 1.314 121.894 120.570 0.017 0.000 2.493 90 I HA 0.242 4.412 4.170 -0.000 0.000 0.298 90 I C 0.465 176.593 176.117 0.018 0.000 0.998 90 I CA -0.791 60.521 61.300 0.020 0.000 1.137 90 I CB 1.927 39.941 38.000 0.024 0.000 1.310 90 I HN 0.203 nan 8.210 nan 0.000 0.445 91 S N 4.561 120.271 115.700 0.017 0.000 2.690 91 S HA 0.429 4.899 4.470 -0.000 0.000 0.291 91 S C -0.041 174.569 174.600 0.016 0.000 1.138 91 S CA -0.731 57.478 58.200 0.014 0.000 1.013 91 S CB 1.209 64.415 63.200 0.010 0.000 1.053 91 S HN 0.613 nan 8.310 nan 0.000 0.539 92 R N 2.032 122.540 120.500 0.014 0.000 2.537 92 R HA -0.024 4.316 4.340 -0.000 0.000 0.281 92 R C 0.168 176.475 176.300 0.012 0.000 0.988 92 R CA 0.881 56.989 56.100 0.014 0.000 1.077 92 R CB -0.318 29.988 30.300 0.010 0.000 0.932 92 R HN 0.836 nan 8.270 nan 0.000 0.409 93 N N 1.579 120.287 118.700 0.014 0.000 2.828 93 N HA -0.224 4.516 4.740 -0.000 0.000 0.248 93 N C -1.194 174.321 175.510 0.008 0.000 1.044 93 N CA 1.488 54.543 53.050 0.008 0.000 0.851 93 N CB -0.863 37.624 38.487 0.000 0.000 1.136 93 N HN 0.667 nan 8.380 nan 0.000 0.572 94 D N 0.313 120.721 120.400 0.013 0.000 2.351 94 D HA 0.240 4.880 4.640 -0.000 0.000 0.251 94 D C 0.159 176.469 176.300 0.016 0.000 1.137 94 D CA -0.141 53.867 54.000 0.013 0.000 0.879 94 D CB 1.020 41.831 40.800 0.017 0.000 1.181 94 D HN -0.098 nan 8.370 nan 0.000 0.448 95 V N 5.359 125.280 119.914 0.011 0.000 2.485 95 V HA -0.015 4.105 4.120 -0.000 0.000 0.287 95 V C 1.614 177.724 176.094 0.026 0.000 1.022 95 V CA 0.246 62.553 62.300 0.012 0.000 1.067 95 V CB 0.329 32.154 31.823 0.003 0.000 0.967 95 V HN 0.535 nan 8.190 nan 0.000 0.479 96 I N 5.233 125.827 120.570 0.040 0.000 2.277 96 I HA 0.049 4.219 4.170 -0.000 0.000 0.243 96 I C 0.262 176.420 176.117 0.068 0.000 1.094 96 I CA 1.138 62.474 61.300 0.061 0.000 1.393 96 I CB -0.040 38.008 38.000 0.080 0.000 1.078 96 I HN 0.570 nan 8.210 nan 0.000 0.417 97 L N -1.887 119.375 121.223 0.066 0.000 2.724 97 L HA 0.548 4.888 4.340 -0.000 0.000 0.258 97 L C -1.303 175.608 176.870 0.068 0.000 0.967 97 L CA -0.828 54.050 54.840 0.063 0.000 0.891 97 L CB 1.486 43.601 42.059 0.093 0.000 1.456 97 L HN -0.060 nan 8.230 nan 0.000 0.416 98 Q N 0.482 120.318 119.800 0.060 0.000 2.413 98 Q HA 0.940 5.280 4.340 -0.000 0.000 0.276 98 Q C -1.493 174.589 176.000 0.136 0.000 1.099 98 Q CA -1.194 54.671 55.803 0.103 0.000 0.814 98 Q CB 3.471 32.250 28.738 0.069 0.000 1.379 98 Q HN 0.563 nan 8.270 nan 0.000 0.436 99 V N 1.627 121.709 119.914 0.279 0.000 2.709 99 V HA 0.441 4.561 4.120 -0.000 0.000 0.308 99 V C -2.561 173.806 176.094 0.455 0.000 1.062 99 V CA -2.169 60.337 62.300 0.343 0.000 0.901 99 V CB 1.939 33.999 31.823 0.395 0.000 1.003 99 V HN 0.650 nan 8.190 nan 0.000 0.425 100 P HA 0.235 nan 4.420 nan 0.000 0.281 100 P C 0.435 177.392 177.300 -0.572 0.000 1.252 100 P CA -0.405 62.623 63.100 -0.119 0.000 0.778 100 P CB 0.738 32.374 31.700 -0.107 0.000 0.895 101 K N 3.959 123.622 120.400 -1.228 0.000 2.442 101 K HA -0.206 4.114 4.320 -0.000 0.000 0.200 101 K C 1.767 177.840 176.600 -0.879 0.000 1.045 101 K CA 0.937 55.897 56.287 -2.211 0.000 0.937 101 K CB -0.061 31.573 32.500 -1.444 0.000 0.757 101 K HN 0.232 nan 8.250 nan 0.000 0.474 102 R N 0.713 120.963 120.500 -0.418 0.000 2.241 102 R HA -0.107 4.233 4.340 -0.000 0.000 0.224 102 R C 1.060 177.404 176.300 0.074 0.000 1.101 102 R CA 1.075 57.092 56.100 -0.139 0.000 0.995 102 R CB 0.002 30.232 30.300 -0.116 0.000 0.870 102 R HN 0.311 nan 8.270 nan 0.000 0.463 103 L N -0.612 120.717 121.223 0.177 0.000 2.766 103 L HA 0.243 4.583 4.340 -0.000 0.000 0.242 103 L C 0.706 178.090 176.870 0.857 0.000 1.136 103 L CA -0.566 54.655 54.840 0.635 0.000 0.933 103 L CB 0.031 42.362 42.059 0.454 0.000 1.241 103 L HN 0.150 nan 8.230 nan 0.000 0.522 104 W N 0.762 122.176 121.300 0.191 0.000 1.645 104 W HA 0.058 4.718 4.660 -0.000 0.000 0.351 104 W C 0.521 176.924 176.519 -0.192 0.000 1.568 104 W CA -0.657 56.669 57.345 -0.032 0.000 1.739 104 W CB 0.628 30.071 29.460 -0.028 0.000 1.441 104 W HN -0.166 nan 8.180 nan 0.000 0.759 105 I N 2.268 122.837 120.570 -0.001 0.000 2.816 105 I HA -0.013 4.157 4.170 -0.000 0.000 0.279 105 I C -0.701 175.315 176.117 -0.168 0.000 1.662 105 I CA -0.354 60.792 61.300 -0.257 0.000 0.785 105 I CB -0.603 37.187 38.000 -0.351 0.000 1.738 105 I HN 0.380 nan 8.210 nan 0.000 0.561 106 N N 2.050 120.696 118.700 -0.089 0.000 2.453 106 N HA 0.572 5.312 4.740 -0.000 0.000 0.290 106 N C -2.502 172.962 175.510 -0.076 0.000 1.250 106 N CA -1.779 51.251 53.050 -0.033 0.000 0.815 106 N CB 1.326 39.866 38.487 0.088 0.000 1.381 106 N HN -0.216 nan 8.380 nan 0.000 0.510 107 P HA -0.182 nan 4.420 nan 0.000 0.219 107 P C 0.397 177.678 177.300 -0.032 0.000 1.153 107 P CA 1.582 64.671 63.100 -0.018 0.000 0.865 107 P CB 0.179 31.900 31.700 0.034 0.000 0.788 108 D N -1.351 119.048 120.400 -0.002 0.000 2.218 108 D HA -0.108 4.532 4.640 -0.000 0.000 0.204 108 D C 1.880 178.158 176.300 -0.037 0.000 0.976 108 D CA 1.471 55.468 54.000 -0.004 0.000 0.853 108 D CB -0.394 40.418 40.800 0.020 0.000 0.939 108 D HN 0.162 nan 8.370 nan 0.000 0.481 109 A N 0.734 123.496 122.820 -0.097 0.000 1.935 109 A HA -0.055 4.265 4.320 -0.000 0.000 0.214 109 A C 2.456 179.892 177.584 -0.247 0.000 1.178 109 A CA 1.218 53.165 52.037 -0.151 0.000 0.640 109 A CB -0.604 18.262 19.000 -0.223 0.000 0.825 109 A HN 0.204 nan 8.150 nan 0.000 0.447 110 V N -2.181 117.493 119.914 -0.399 0.000 2.427 110 V HA -0.056 4.064 4.120 -0.000 0.000 0.248 110 V C 2.445 178.575 176.094 0.060 0.000 1.051 110 V CA 1.903 64.089 62.300 -0.189 0.000 1.048 110 V CB -1.375 30.394 31.823 -0.089 0.000 0.666 110 V HN 0.456 nan 8.190 nan 0.000 0.456 111 A N 0.633 123.462 122.820 0.015 0.000 2.015 111 A HA 0.299 4.619 4.320 -0.000 0.000 0.219 111 A C 2.231 179.849 177.584 0.057 0.000 1.163 111 A CA 1.668 53.731 52.037 0.044 0.000 0.646 111 A CB -0.776 18.238 19.000 0.023 0.000 0.806 111 A HN 1.106 nan 8.150 nan 0.000 0.448 112 A N -0.039 122.814 122.820 0.055 0.000 2.337 112 A HA 0.466 4.786 4.320 -0.000 0.000 0.227 112 A C 1.055 178.709 177.584 0.118 0.000 1.259 112 A CA 0.606 52.683 52.037 0.068 0.000 0.870 112 A CB -0.572 18.455 19.000 0.045 0.000 0.927 112 A HN 0.663 nan 8.150 nan 0.000 0.497 113 S N -1.617 114.185 115.700 0.170 0.000 2.726 113 S HA 0.436 4.906 4.470 -0.000 0.000 0.308 113 S C 0.521 175.205 174.600 0.140 0.000 1.115 113 S CA -0.324 58.004 58.200 0.214 0.000 0.965 113 S CB 0.901 64.356 63.200 0.425 0.000 1.145 113 S HN 0.305 nan 8.310 nan 0.000 0.532 114 E N 0.505 120.763 120.200 0.096 0.000 2.147 114 E HA -0.205 4.145 4.350 -0.000 0.000 0.199 114 E C 1.643 178.274 176.600 0.051 0.000 1.005 114 E CA 1.890 58.317 56.400 0.045 0.000 0.810 114 E CB -0.732 28.965 29.700 -0.005 0.000 0.736 114 E HN 0.778 nan 8.360 nan 0.000 0.460 115 I N -2.453 118.161 120.570 0.072 0.000 3.428 115 I HA 0.166 4.336 4.170 -0.000 0.000 0.286 115 I C 2.088 178.294 176.117 0.148 0.000 1.287 115 I CA 0.584 61.950 61.300 0.109 0.000 1.396 115 I CB -0.313 37.762 38.000 0.125 0.000 1.062 115 I HN -0.058 nan 8.210 nan 0.000 0.471 116 G N 2.211 111.094 108.800 0.139 0.000 2.503 116 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.221 116 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.221 116 G C 1.757 176.709 174.900 0.086 0.000 1.131 116 G CA 0.606 45.775 45.100 0.114 0.000 0.756 116 G HN 0.302 nan 8.290 nan 0.000 0.572 117 R N 0.312 120.859 120.500 0.077 0.000 2.070 117 R HA -0.080 4.260 4.340 -0.000 0.000 0.232 117 R C 2.950 179.289 176.300 0.065 0.000 1.138 117 R CA 1.638 57.774 56.100 0.061 0.000 0.936 117 R CB -1.597 28.735 30.300 0.053 0.000 0.839 117 R HN 0.539 nan 8.270 nan 0.000 0.429 118 V N -1.071 118.895 119.914 0.087 0.000 2.594 118 V HA -0.175 3.945 4.120 -0.000 0.000 0.253 118 V C 2.112 178.252 176.094 0.077 0.000 1.069 118 V CA 1.616 63.970 62.300 0.090 0.000 1.082 118 V CB -1.023 30.887 31.823 0.146 0.000 0.680 118 V HN 0.198 nan 8.190 nan 0.000 0.469 119 C N 1.637 120.993 119.300 0.093 0.000 2.697 119 C HA 0.181 4.641 4.460 -0.000 0.000 0.267 119 C C 3.004 178.018 174.990 0.041 0.000 1.278 119 C CA 0.381 59.441 59.018 0.070 0.000 1.708 119 C CB -1.435 26.373 27.740 0.112 0.000 1.860 119 C HN 0.813 nan 8.230 nan 0.000 0.589 120 S N 1.829 117.554 115.700 0.042 0.000 2.444 120 S HA -0.239 4.231 4.470 -0.000 0.000 0.244 120 S C 1.043 175.652 174.600 0.015 0.000 1.025 120 S CA 1.738 59.956 58.200 0.030 0.000 0.995 120 S CB -0.443 62.775 63.200 0.029 0.000 0.781 120 S HN 0.821 nan 8.310 nan 0.000 0.496 121 E N -0.173 120.030 120.200 0.004 0.000 2.676 121 E HA 0.361 4.711 4.350 -0.000 0.000 0.222 121 E C -0.412 176.171 176.600 -0.028 0.000 0.968 121 E CA -0.282 56.113 56.400 -0.008 0.000 1.090 121 E CB 0.482 30.177 29.700 -0.009 0.000 1.066 121 E HN 0.462 nan 8.360 nan 0.000 0.496 122 L N 1.756 122.955 121.223 -0.039 0.000 2.418 122 L HA 0.222 4.562 4.340 -0.000 0.000 0.265 122 L C 0.609 177.423 176.870 -0.093 0.000 1.143 122 L CA -0.337 54.450 54.840 -0.089 0.000 0.809 122 L CB 0.592 42.592 42.059 -0.099 0.000 1.124 122 L HN -0.139 nan 8.230 nan 0.000 0.456 123 K N 2.974 123.274 120.400 -0.168 0.000 2.414 123 K HA 0.021 4.341 4.320 -0.000 0.000 0.272 123 K C -1.394 175.145 176.600 -0.101 0.000 0.993 123 K CA -1.103 55.103 56.287 -0.135 0.000 0.964 123 K CB 0.380 32.733 32.500 -0.246 0.000 0.925 123 K HN 0.389 nan 8.250 nan 0.000 0.487 124 P HA -0.244 nan 4.420 nan 0.000 0.217 124 P C 1.207 178.613 177.300 0.176 0.000 1.162 124 P CA 1.971 65.142 63.100 0.119 0.000 0.901 124 P CB -0.272 31.532 31.700 0.173 0.000 0.793 125 W N 0.639 121.976 121.300 0.062 0.000 2.379 125 W HA -0.046 4.614 4.660 -0.000 0.000 0.307 125 W C 2.119 178.693 176.519 0.093 0.000 1.200 125 W CA 0.282 57.675 57.345 0.081 0.000 1.297 125 W CB -1.966 27.561 29.460 0.113 0.000 1.140 125 W HN -0.152 nan 8.180 nan 0.000 0.507 126 L N 1.598 122.567 121.223 -0.424 0.000 2.081 126 L HA -0.267 4.073 4.340 -0.000 0.000 0.212 126 L C 3.071 179.883 176.870 -0.097 0.000 1.080 126 L CA 2.057 56.630 54.840 -0.445 0.000 0.754 126 L CB -1.048 40.581 42.059 -0.716 0.000 0.893 126 L HN 0.078 nan 8.230 nan 0.000 0.433 127 S N -0.539 115.140 115.700 -0.034 0.000 2.368 127 S HA -0.121 4.349 4.470 -0.000 0.000 0.224 127 S C 1.927 176.631 174.600 0.174 0.000 1.029 127 S CA 1.168 59.411 58.200 0.071 0.000 0.988 127 S CB -0.055 63.177 63.200 0.052 0.000 0.838 127 S HN 0.194 nan 8.310 nan 0.000 0.462 128 V N 2.241 122.256 119.914 0.169 0.000 2.427 128 V HA -0.115 4.005 4.120 -0.000 0.000 0.248 128 V C 2.213 178.491 176.094 0.308 0.000 1.051 128 V CA 1.489 63.917 62.300 0.214 0.000 1.048 128 V CB -0.655 31.260 31.823 0.154 0.000 0.666 128 V HN 0.490 nan 8.190 nan 0.000 0.456 129 I N -0.301 120.445 120.570 0.294 0.000 2.091 129 I HA -0.311 3.859 4.170 -0.000 0.000 0.239 129 I C 2.419 178.764 176.117 0.379 0.000 1.061 129 I CA 1.883 63.391 61.300 0.347 0.000 1.317 129 I CB -0.375 37.819 38.000 0.324 0.000 1.031 129 I HN 0.269 nan 8.210 nan 0.000 0.401 130 L N -0.318 121.108 121.223 0.338 0.000 1.970 130 L HA -0.286 4.054 4.340 -0.000 0.000 0.212 130 L C 2.635 179.740 176.870 0.391 0.000 1.071 130 L CA 1.630 56.698 54.840 0.380 0.000 0.751 130 L CB -0.819 41.451 42.059 0.353 0.000 0.889 130 L HN 0.164 nan 8.230 nan 0.000 0.432 131 F N 0.651 120.740 119.950 0.232 0.000 2.063 131 F HA -0.338 4.189 4.527 -0.000 0.000 0.298 131 F C 2.301 178.214 175.800 0.188 0.000 1.105 131 F CA 1.860 59.969 58.000 0.181 0.000 1.215 131 F CB -0.304 38.784 39.000 0.145 0.000 0.972 131 F HN -0.104 nan 8.300 nan 0.000 0.483 132 L N -0.173 121.303 121.223 0.422 0.000 1.989 132 L HA -0.268 4.072 4.340 -0.000 0.000 0.211 132 L C 2.465 179.502 176.870 0.278 0.000 1.071 132 L CA 1.743 56.837 54.840 0.424 0.000 0.749 132 L CB -0.723 41.639 42.059 0.504 0.000 0.890 132 L HN 0.191 nan 8.230 nan 0.000 0.431 133 I N -0.779 119.982 120.570 0.318 0.000 2.264 133 I HA -0.317 3.853 4.170 -0.000 0.000 0.248 133 I C 2.807 178.893 176.117 -0.051 0.000 1.111 133 I CA 1.159 62.545 61.300 0.143 0.000 1.382 133 I CB -0.381 37.718 38.000 0.165 0.000 1.060 133 I HN 0.258 nan 8.210 nan 0.000 0.418 134 R N 1.104 121.587 120.500 -0.027 0.000 2.075 134 R HA -0.166 4.173 4.340 -0.000 0.000 0.230 134 R C 2.289 178.419 176.300 -0.284 0.000 1.140 134 R CA 1.518 57.520 56.100 -0.164 0.000 0.928 134 R CB -0.098 30.061 30.300 -0.235 0.000 0.834 134 R HN 0.183 nan 8.270 nan 0.000 0.429 135 E N 0.492 120.475 120.200 -0.361 0.000 2.219 135 E HA -0.250 4.100 4.350 -0.000 0.000 0.198 135 E C 1.901 178.179 176.600 -0.536 0.000 0.998 135 E CA 0.922 57.138 56.400 -0.306 0.000 0.818 135 E CB -0.307 29.350 29.700 -0.072 0.000 0.741 135 E HN 0.350 nan 8.360 nan 0.000 0.477 136 R N 0.488 120.469 120.500 -0.865 0.000 2.241 136 R HA -0.048 4.292 4.340 -0.000 0.000 0.224 136 R C 1.725 177.742 176.300 -0.471 0.000 1.101 136 R CA 1.109 56.624 56.100 -0.975 0.000 0.995 136 R CB 0.180 29.980 30.300 -0.833 0.000 0.870 136 R HN -0.006 nan 8.270 nan 0.000 0.463 137 S N -0.356 115.141 115.700 -0.339 0.000 2.475 137 S HA 0.139 4.609 4.470 -0.000 0.000 0.224 137 S C 0.357 174.859 174.600 -0.164 0.000 1.042 137 S CA -0.085 57.981 58.200 -0.223 0.000 0.935 137 S CB 0.253 63.341 63.200 -0.187 0.000 0.801 137 S HN 0.255 nan 8.310 nan 0.000 0.509 138 R N 2.040 122.444 120.500 -0.159 0.000 2.404 138 R HA 0.101 4.441 4.340 -0.000 0.000 0.315 138 R C 0.522 176.774 176.300 -0.080 0.000 1.032 138 R CA 0.056 56.091 56.100 -0.108 0.000 0.992 138 R CB 0.269 30.512 30.300 -0.094 0.000 0.959 138 R HN 0.244 nan 8.270 nan 0.000 0.428 139 E N 1.286 121.442 120.200 -0.072 0.000 2.347 139 E HA -0.144 4.206 4.350 -0.000 0.000 0.196 139 E C 0.550 177.109 176.600 -0.067 0.000 1.008 139 E CA 1.043 57.405 56.400 -0.062 0.000 0.852 139 E CB 0.202 29.872 29.700 -0.050 0.000 0.783 139 E HN 0.574 nan 8.360 nan 0.000 0.505 140 D N -0.842 119.520 120.400 -0.064 0.000 2.424 140 D HA 0.018 4.657 4.640 -0.000 0.000 0.220 140 D C 0.160 176.416 176.300 -0.075 0.000 1.150 140 D CA -0.099 53.861 54.000 -0.067 0.000 0.831 140 D CB 0.076 40.846 40.800 -0.050 0.000 0.981 140 D HN -0.130 nan 8.370 nan 0.000 0.500 141 S N -0.025 115.640 115.700 -0.057 0.000 2.572 141 S HA 0.082 4.552 4.470 -0.000 0.000 0.279 141 S C 1.350 175.851 174.600 -0.165 0.000 1.341 141 S CA -0.557 57.642 58.200 -0.003 0.000 1.043 141 S CB 1.199 64.504 63.200 0.175 0.000 0.887 141 S HN 0.058 nan 8.310 nan 0.000 0.516 142 V N 3.703 123.398 119.914 -0.365 0.000 3.510 142 V HA 0.027 4.147 4.120 -0.000 0.000 0.270 142 V C 0.172 175.650 176.094 -1.027 0.000 1.201 142 V CA 0.699 62.554 62.300 -0.741 0.000 1.166 142 V CB -1.255 29.985 31.823 -0.971 0.000 0.825 142 V HN 0.925 nan 8.190 nan 0.000 0.484 143 W N -1.376 119.898 121.300 -0.044 0.000 2.075 143 W HA 0.443 5.103 4.660 -0.000 0.000 0.332 143 W C 1.498 178.018 176.519 0.002 0.000 0.905 143 W CA -1.178 56.090 57.345 -0.128 0.000 2.126 143 W CB -0.240 29.205 29.460 -0.024 0.000 1.143 143 W HN -0.088 nan 8.180 nan 0.000 0.542 144 K N 0.490 120.845 120.400 -0.076 0.000 2.074 144 K HA -0.231 4.089 4.320 -0.000 0.000 0.209 144 K C 1.623 178.200 176.600 -0.039 0.000 1.048 144 K CA 1.999 58.250 56.287 -0.060 0.000 0.926 144 K CB -0.047 32.249 32.500 -0.339 0.000 0.713 144 K HN 0.224 nan 8.250 nan 0.000 0.444 145 H N -1.439 117.605 119.070 -0.045 0.000 2.428 145 H HA -0.116 4.440 4.556 -0.000 0.000 0.296 145 H C 1.825 177.340 175.328 0.311 0.000 1.062 145 H CA 1.261 57.381 56.048 0.120 0.000 1.350 145 H CB -0.505 29.309 29.762 0.087 0.000 1.403 145 H HN 0.328 nan 8.280 nan 0.000 0.533 146 Y N 1.310 121.758 120.300 0.247 0.000 2.089 146 Y HA -0.217 4.333 4.550 -0.000 0.000 0.282 146 Y C 2.136 177.971 175.900 -0.109 0.000 1.139 146 Y CA 1.375 59.522 58.100 0.078 0.000 1.123 146 Y CB -0.958 37.581 38.460 0.131 0.000 0.980 146 Y HN -0.057 nan 8.280 nan 0.000 0.493 147 F N 0.211 120.211 119.950 0.084 0.000 2.202 147 F HA -0.101 4.426 4.527 -0.000 0.000 0.301 147 F C 2.511 178.282 175.800 -0.048 0.000 1.082 147 F CA 1.143 59.132 58.000 -0.018 0.000 1.313 147 F CB -0.876 38.209 39.000 0.141 0.000 1.024 147 F HN 0.188 nan 8.300 nan 0.000 0.495 148 G N -0.568 108.327 108.800 0.158 0.000 2.882 148 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.206 148 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.206 148 G C 1.312 176.221 174.900 0.016 0.000 1.155 148 G CA 0.332 45.492 45.100 0.100 0.000 0.800 148 G HN 0.242 nan 8.290 nan 0.000 0.524 149 I N -0.157 120.342 120.570 -0.118 0.000 4.244 149 I HA 0.293 4.463 4.170 -0.000 0.000 0.318 149 I C 1.169 177.165 176.117 -0.203 0.000 1.282 149 I CA -0.259 60.914 61.300 -0.213 0.000 1.276 149 I CB -0.413 37.279 38.000 -0.513 0.000 1.183 149 I HN -0.008 nan 8.210 nan 0.000 0.431 150 L N 3.325 124.408 121.223 -0.234 0.000 2.525 150 L HA 0.063 4.403 4.340 -0.000 0.000 0.278 150 L C -1.873 175.014 176.870 0.029 0.000 1.218 150 L CA -1.144 53.618 54.840 -0.130 0.000 0.878 150 L CB -0.479 41.543 42.059 -0.061 0.000 1.127 150 L HN -0.050 nan 8.230 nan 0.000 0.492 151 P HA 0.040 nan 4.420 nan 0.000 0.271 151 P C 0.020 177.400 177.300 0.135 0.000 1.216 151 P CA -0.220 62.910 63.100 0.049 0.000 0.771 151 P CB 0.735 32.447 31.700 0.020 0.000 0.864 152 Q N 1.169 121.039 119.800 0.117 0.000 2.224 152 Q HA -0.090 4.250 4.340 -0.000 0.000 0.203 152 Q C 0.392 176.449 176.000 0.096 0.000 0.970 152 Q CA 1.314 57.225 55.803 0.179 0.000 0.865 152 Q CB 0.332 29.108 28.738 0.063 0.000 0.922 152 Q HN 0.541 nan 8.270 nan 0.000 0.445 153 E N -1.474 118.679 120.200 -0.079 0.000 2.449 153 E HA 0.276 4.626 4.350 -0.000 0.000 0.278 153 E C -1.319 175.157 176.600 -0.207 0.000 0.992 153 E CA -0.368 55.803 56.400 -0.382 0.000 0.807 153 E CB 2.001 31.456 29.700 -0.408 0.000 1.350 153 E HN 0.138 nan 8.360 nan 0.000 0.462 154 T N -2.165 112.266 114.554 -0.205 0.000 2.831 154 T HA 0.350 4.700 4.350 -0.000 0.000 0.287 154 T C -0.317 174.529 174.700 0.243 0.000 1.070 154 T CA -0.726 61.434 62.100 0.100 0.000 1.010 154 T CB 1.122 70.114 68.868 0.207 0.000 1.264 154 T HN 0.242 nan 8.240 nan 0.000 0.532 155 D N 1.191 121.770 120.400 0.299 0.000 2.370 155 D HA 0.184 4.824 4.640 -0.000 0.000 0.230 155 D C 0.704 177.326 176.300 0.536 0.000 1.143 155 D CA 0.160 54.413 54.000 0.423 0.000 0.834 155 D CB 0.114 41.119 40.800 0.341 0.000 0.944 155 D HN 0.529 nan 8.370 nan 0.000 0.504 156 S N 0.153 116.082 115.700 0.382 0.000 2.568 156 S HA -0.011 4.459 4.470 -0.000 0.000 0.282 156 S C 1.817 176.361 174.600 -0.094 0.000 1.338 156 S CA -0.036 58.224 58.200 0.100 0.000 1.045 156 S CB 0.908 64.117 63.200 0.014 0.000 0.873 156 S HN 0.316 nan 8.310 nan 0.000 0.516 157 T N 3.111 117.314 114.554 -0.585 0.000 2.977 157 T HA -0.149 4.201 4.350 -0.000 0.000 0.271 157 T C 1.743 176.088 174.700 -0.593 0.000 1.105 157 T CA 1.388 62.783 62.100 -1.173 0.000 1.116 157 T CB -0.924 67.285 68.868 -1.099 0.000 0.878 157 T HN 0.818 nan 8.240 nan 0.000 0.509 158 I N -2.641 117.636 120.570 -0.488 0.000 3.083 158 I HA 0.015 4.185 4.170 -0.000 0.000 0.273 158 I C 1.475 177.210 176.117 -0.637 0.000 1.297 158 I CA 0.950 61.883 61.300 -0.612 0.000 1.452 158 I CB -0.629 36.938 38.000 -0.721 0.000 1.078 158 I HN 0.142 nan 8.210 nan 0.000 0.484 159 Y N -0.897 119.402 120.300 -0.002 0.000 2.444 159 Y HA 0.245 4.795 4.550 -0.000 0.000 0.252 159 Y C 0.703 176.749 175.900 0.242 0.000 1.091 159 Y CA -0.980 57.188 58.100 0.112 0.000 1.276 159 Y CB -0.038 38.524 38.460 0.170 0.000 1.170 159 Y HN 0.063 nan 8.280 nan 0.000 0.517 160 W N 2.772 124.116 121.300 0.075 0.000 2.377 160 W HA 0.075 4.734 4.660 -0.000 0.000 0.341 160 W C 1.174 177.709 176.519 0.028 0.000 1.240 160 W CA -0.319 57.054 57.345 0.048 0.000 1.311 160 W CB 0.082 29.552 29.460 0.016 0.000 1.175 160 W HN -0.014 nan 8.180 nan 0.000 0.571 161 S N 1.000 116.822 115.700 0.204 0.000 2.641 161 S HA 0.064 4.534 4.470 -0.000 0.000 0.261 161 S C 1.105 175.779 174.600 0.123 0.000 1.257 161 S CA 0.037 58.309 58.200 0.120 0.000 0.983 161 S CB 1.022 64.254 63.200 0.054 0.000 0.990 161 S HN 0.495 nan 8.310 nan 0.000 0.572 162 E N 0.641 120.888 120.200 0.078 0.000 2.072 162 E HA -0.103 4.247 4.350 -0.000 0.000 0.191 162 E C 1.687 178.319 176.600 0.054 0.000 0.985 162 E CA 1.759 58.197 56.400 0.063 0.000 0.801 162 E CB -0.489 29.235 29.700 0.039 0.000 0.750 162 E HN 0.764 nan 8.360 nan 0.000 0.452 163 E N 0.586 120.805 120.200 0.033 0.000 2.047 163 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 163 E C 2.047 178.659 176.600 0.020 0.000 0.987 163 E CA 1.373 57.780 56.400 0.011 0.000 0.799 163 E CB -0.246 29.449 29.700 -0.008 0.000 0.752 163 E HN 0.379 nan 8.360 nan 0.000 0.449 164 E N 0.442 120.648 120.200 0.011 0.000 2.118 164 E HA -0.178 4.172 4.350 -0.000 0.000 0.195 164 E C 1.976 178.712 176.600 0.227 0.000 0.992 164 E CA 0.879 57.254 56.400 -0.042 0.000 0.804 164 E CB -0.157 29.412 29.700 -0.218 0.000 0.741 164 E HN 0.231 nan 8.360 nan 0.000 0.458 165 L N 0.544 121.949 121.223 0.303 0.000 2.156 165 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 165 L C 2.305 179.281 176.870 0.177 0.000 1.095 165 L CA 0.838 55.869 54.840 0.320 0.000 0.770 165 L CB -0.213 41.956 42.059 0.183 0.000 0.914 165 L HN 0.126 nan 8.230 nan 0.000 0.439 166 Q N -0.302 119.553 119.800 0.091 0.000 2.364 166 Q HA -0.243 4.097 4.340 -0.000 0.000 0.209 166 Q C 1.684 177.686 176.000 0.002 0.000 0.977 166 Q CA 1.015 56.819 55.803 0.002 0.000 0.885 166 Q CB 0.020 28.727 28.738 -0.052 0.000 0.941 166 Q HN 0.293 nan 8.270 nan 0.000 0.464 167 E N 0.140 120.417 120.200 0.128 0.000 2.427 167 E HA -0.003 4.347 4.350 -0.000 0.000 0.196 167 E C 0.707 177.506 176.600 0.332 0.000 1.028 167 E CA 0.456 57.003 56.400 0.245 0.000 0.864 167 E CB 0.298 30.116 29.700 0.196 0.000 0.813 167 E HN 0.273 nan 8.360 nan 0.000 0.514 168 L N 0.628 122.008 121.223 0.262 0.000 2.769 168 L HA 0.209 4.549 4.340 -0.000 0.000 0.240 168 L C 0.517 177.461 176.870 0.124 0.000 1.163 168 L CA -0.282 54.684 54.840 0.211 0.000 0.962 168 L CB 0.127 42.273 42.059 0.145 0.000 1.258 168 L HN 0.093 nan 8.230 nan 0.000 0.513 169 Q N 1.058 120.930 119.800 0.120 0.000 2.308 169 Q HA -0.010 4.330 4.340 -0.000 0.000 0.313 169 Q C 1.212 177.162 176.000 -0.083 0.000 1.075 169 Q CA 1.261 57.080 55.803 0.025 0.000 0.995 169 Q CB 0.398 29.141 28.738 0.008 0.000 1.107 169 Q HN 0.461 nan 8.270 nan 0.000 0.380 170 G N 2.766 111.452 108.800 -0.190 0.000 2.205 170 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.261 170 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.261 170 G C 0.101 174.662 174.900 -0.565 0.000 0.980 170 G CA 0.437 45.282 45.100 -0.426 0.000 0.632 170 G HN 1.082 nan 8.290 nan 0.000 0.533 171 S N -0.669 114.866 115.700 -0.275 0.000 2.603 171 S HA 0.533 5.003 4.470 -0.000 0.000 0.268 171 S C 1.148 175.710 174.600 -0.064 0.000 1.317 171 S CA 0.651 58.826 58.200 -0.041 0.000 1.012 171 S CB 1.851 65.110 63.200 0.099 0.000 0.926 171 S HN 0.517 nan 8.310 nan 0.000 0.539 172 Q N -0.139 119.621 119.800 -0.066 0.000 2.137 172 Q HA -0.049 4.291 4.340 -0.000 0.000 0.198 172 Q C 1.842 177.733 176.000 -0.183 0.000 0.960 172 Q CA 0.834 56.512 55.803 -0.209 0.000 0.847 172 Q CB -0.275 28.159 28.738 -0.507 0.000 0.915 172 Q HN 0.791 nan 8.270 nan 0.000 0.448 173 L N 0.733 121.866 121.223 -0.150 0.000 2.013 173 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 173 L C 2.077 178.839 176.870 -0.179 0.000 1.073 173 L CA 1.564 56.302 54.840 -0.170 0.000 0.753 173 L CB -0.906 41.062 42.059 -0.152 0.000 0.890 173 L HN 0.392 nan 8.230 nan 0.000 0.432 174 L N -0.194 120.945 121.223 -0.139 0.000 2.012 174 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 174 L C 2.487 179.282 176.870 -0.127 0.000 1.073 174 L CA 1.942 56.704 54.840 -0.129 0.000 0.748 174 L CB -0.917 41.096 42.059 -0.078 0.000 0.891 174 L HN 0.324 nan 8.230 nan 0.000 0.431 175 K N -1.244 119.086 120.400 -0.117 0.000 1.987 175 K HA -0.187 4.133 4.320 -0.000 0.000 0.216 175 K C 1.900 178.425 176.600 -0.125 0.000 1.051 175 K CA 2.231 58.454 56.287 -0.106 0.000 0.942 175 K CB -0.815 31.625 32.500 -0.100 0.000 0.722 175 K HN 0.379 nan 8.250 nan 0.000 0.444 176 T N 1.001 115.462 114.554 -0.155 0.000 2.653 176 T HA -0.218 4.132 4.350 -0.000 0.000 0.268 176 T C 2.175 176.774 174.700 -0.169 0.000 1.035 176 T CA 2.298 64.295 62.100 -0.171 0.000 1.154 176 T CB -0.707 68.042 68.868 -0.198 0.000 0.862 176 T HN 0.587 nan 8.240 nan 0.000 0.441 177 T N 0.965 115.404 114.554 -0.192 0.000 2.674 177 T HA -0.117 4.233 4.350 -0.000 0.000 0.265 177 T C 2.021 176.623 174.700 -0.164 0.000 1.039 177 T CA 1.407 63.381 62.100 -0.211 0.000 1.150 177 T CB -1.099 67.597 68.868 -0.287 0.000 0.864 177 T HN 0.197 nan 8.240 nan 0.000 0.427 178 V N 2.068 121.901 119.914 -0.134 0.000 2.220 178 V HA -0.258 3.862 4.120 -0.000 0.000 0.250 178 V C 3.120 179.176 176.094 -0.063 0.000 1.056 178 V CA 2.449 64.695 62.300 -0.090 0.000 1.016 178 V CB -1.341 30.442 31.823 -0.068 0.000 0.639 178 V HN 0.599 nan 8.190 nan 0.000 0.446 179 S N -0.238 115.423 115.700 -0.065 0.000 2.380 179 S HA -0.254 4.216 4.470 -0.000 0.000 0.229 179 S C 1.954 176.542 174.600 -0.019 0.000 1.050 179 S CA 1.979 60.153 58.200 -0.044 0.000 1.100 179 S CB -0.547 62.607 63.200 -0.077 0.000 0.984 179 S HN 0.377 nan 8.310 nan 0.000 0.434 180 V N 1.711 121.588 119.914 -0.062 0.000 2.287 180 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 180 V C 2.366 178.460 176.094 -0.000 0.000 1.053 180 V CA 1.859 64.133 62.300 -0.043 0.000 1.027 180 V CB -0.612 31.164 31.823 -0.077 0.000 0.646 180 V HN 0.402 nan 8.190 nan 0.000 0.447 181 K N -0.354 120.022 120.400 -0.039 0.000 2.032 181 K HA -0.259 4.061 4.320 -0.000 0.000 0.209 181 K C 2.296 178.992 176.600 0.161 0.000 1.048 181 K CA 2.008 58.301 56.287 0.010 0.000 0.927 181 K CB -0.169 32.241 32.500 -0.149 0.000 0.712 181 K HN 0.589 nan 8.250 nan 0.000 0.441 182 E N -0.167 120.084 120.200 0.085 0.000 2.017 182 E HA -0.259 4.091 4.350 -0.000 0.000 0.193 182 E C 1.970 178.604 176.600 0.058 0.000 0.997 182 E CA 1.448 57.893 56.400 0.076 0.000 0.804 182 E CB -0.260 29.470 29.700 0.050 0.000 0.757 182 E HN 0.323 nan 8.360 nan 0.000 0.448 183 Y N 1.045 121.321 120.300 -0.040 0.000 2.040 183 Y HA -0.316 4.234 4.550 -0.000 0.000 0.275 183 Y C 2.117 177.977 175.900 -0.067 0.000 1.171 183 Y CA 2.094 60.166 58.100 -0.047 0.000 1.123 183 Y CB -0.708 37.723 38.460 -0.048 0.000 0.963 183 Y HN -0.061 nan 8.280 nan 0.000 0.493 184 V N 1.410 121.251 119.914 -0.122 0.000 2.324 184 V HA -0.386 3.733 4.120 -0.000 0.000 0.250 184 V C 2.509 178.354 176.094 -0.415 0.000 1.060 184 V CA 2.409 64.517 62.300 -0.321 0.000 1.042 184 V CB -0.911 30.674 31.823 -0.395 0.000 0.650 184 V HN 0.456 nan 8.190 nan 0.000 0.450 185 K N 0.322 120.561 120.400 -0.267 0.000 1.978 185 K HA -0.252 4.067 4.320 -0.000 0.000 0.214 185 K C 2.120 178.533 176.600 -0.311 0.000 1.049 185 K CA 2.134 58.249 56.287 -0.287 0.000 0.939 185 K CB -0.299 32.152 32.500 -0.082 0.000 0.721 185 K HN 0.492 nan 8.250 nan 0.000 0.441 186 N N 1.254 119.803 118.700 -0.251 0.000 2.011 186 N HA -0.208 4.532 4.740 -0.000 0.000 0.199 186 N C 1.627 176.928 175.510 -0.348 0.000 1.047 186 N CA 1.604 54.507 53.050 -0.245 0.000 0.863 186 N CB -0.698 37.674 38.487 -0.191 0.000 1.056 186 N HN 0.316 nan 8.380 nan 0.000 0.427 187 E N 0.437 120.342 120.200 -0.491 0.000 2.147 187 E HA -0.165 4.185 4.350 -0.000 0.000 0.199 187 E C 2.120 178.382 176.600 -0.564 0.000 1.005 187 E CA 0.752 56.823 56.400 -0.548 0.000 0.810 187 E CB -0.480 28.774 29.700 -0.743 0.000 0.736 187 E HN 0.413 nan 8.360 nan 0.000 0.460 188 C N 0.130 119.026 119.300 -0.673 0.000 2.485 188 C HA 0.053 4.513 4.460 -0.000 0.000 0.278 188 C C 2.755 177.353 174.990 -0.654 0.000 1.356 188 C CA -0.061 58.331 59.018 -1.042 0.000 1.747 188 C CB -0.824 25.861 27.740 -1.758 0.000 2.001 188 C HN 0.355 nan 8.230 nan 0.000 0.501 189 L N 0.734 121.746 121.223 -0.352 0.000 2.217 189 L HA -0.090 4.250 4.340 -0.000 0.000 0.211 189 L C 2.571 179.357 176.870 -0.140 0.000 1.107 189 L CA 1.231 55.991 54.840 -0.134 0.000 0.783 189 L CB -0.617 41.382 42.059 -0.101 0.000 0.919 189 L HN 0.364 nan 8.230 nan 0.000 0.442 190 K N 0.624 120.901 120.400 -0.204 0.000 2.217 190 K HA -0.107 4.213 4.320 -0.000 0.000 0.202 190 K C 2.089 178.584 176.600 -0.175 0.000 1.051 190 K CA 0.744 56.927 56.287 -0.173 0.000 0.952 190 K CB 0.165 32.550 32.500 -0.192 0.000 0.736 190 K HN 0.263 nan 8.250 nan 0.000 0.453 191 L N 0.637 121.725 121.223 -0.225 0.000 2.095 191 L HA -0.118 4.222 4.340 -0.000 0.000 0.204 191 L C 2.503 179.293 176.870 -0.133 0.000 1.080 191 L CA 1.162 55.882 54.840 -0.200 0.000 0.759 191 L CB -0.280 41.621 42.059 -0.263 0.000 0.914 191 L HN 0.344 nan 8.230 nan 0.000 0.439 192 E N 0.065 120.233 120.200 -0.052 0.000 2.038 192 E HA -0.298 4.052 4.350 -0.000 0.000 0.195 192 E C 2.064 178.610 176.600 -0.090 0.000 1.000 192 E CA 1.603 57.980 56.400 -0.038 0.000 0.803 192 E CB 0.001 29.725 29.700 0.040 0.000 0.750 192 E HN 0.509 nan 8.360 nan 0.000 0.448 193 Q N -0.485 119.270 119.800 -0.075 0.000 2.291 193 Q HA -0.119 4.220 4.340 -0.000 0.000 0.205 193 Q C 1.604 177.559 176.000 -0.075 0.000 0.970 193 Q CA 1.064 56.825 55.803 -0.069 0.000 0.876 193 Q CB 0.169 28.872 28.738 -0.059 0.000 0.935 193 Q HN 0.399 nan 8.270 nan 0.000 0.455 194 E N -0.910 119.234 120.200 -0.093 0.000 2.389 194 E HA 0.041 4.391 4.350 -0.000 0.000 0.199 194 E C 0.752 177.298 176.600 -0.090 0.000 0.978 194 E CA 0.285 56.635 56.400 -0.084 0.000 0.912 194 E CB 0.648 30.296 29.700 -0.087 0.000 0.907 194 E HN 0.194 nan 8.360 nan 0.000 0.494 195 I N -0.737 119.748 120.570 -0.142 0.000 4.399 195 I HA 0.013 4.183 4.170 -0.000 0.000 0.301 195 I C 1.663 177.569 176.117 -0.352 0.000 1.198 195 I CA 0.153 61.349 61.300 -0.174 0.000 1.315 195 I CB 0.282 38.181 38.000 -0.170 0.000 1.452 195 I HN -0.043 nan 8.210 nan 0.000 0.457 196 I N 0.478 120.734 120.570 -0.522 0.000 2.163 196 I HA -0.231 3.939 4.170 -0.000 0.000 0.240 196 I C 2.267 178.238 176.117 -0.243 0.000 1.081 196 I CA 1.622 62.482 61.300 -0.734 0.000 1.353 196 I CB -0.259 37.413 38.000 -0.546 0.000 1.054 196 I HN 0.135 nan 8.210 nan 0.000 0.407 197 L N 0.286 121.425 121.223 -0.141 0.000 2.044 197 L HA -0.090 4.249 4.340 -0.000 0.000 0.205 197 L C -0.089 176.771 176.870 -0.016 0.000 1.075 197 L CA 1.369 56.177 54.840 -0.054 0.000 0.747 197 L CB -2.026 40.003 42.059 -0.050 0.000 0.903 197 L HN 0.147 nan 8.230 nan 0.000 0.435 198 P HA -0.167 nan 4.420 nan 0.000 0.213 198 P C 0.259 177.585 177.300 0.043 0.000 1.170 198 P CA 1.323 64.426 63.100 0.004 0.000 0.902 198 P CB -0.044 31.652 31.700 -0.007 0.000 0.789 199 N N 0.463 119.217 118.700 0.089 0.000 3.259 199 N HA -0.001 4.739 4.740 -0.000 0.000 0.308 199 N C 0.924 176.562 175.510 0.214 0.000 1.334 199 N CA 0.088 53.238 53.050 0.166 0.000 1.202 199 N CB -0.100 38.547 38.487 0.268 0.000 1.485 199 N HN 0.429 nan 8.380 nan 0.000 0.549 200 K N -0.306 120.167 120.400 0.121 0.000 2.520 200 K HA -0.144 4.176 4.320 -0.000 0.000 0.197 200 K C 1.624 178.272 176.600 0.080 0.000 1.043 200 K CA 0.660 57.010 56.287 0.105 0.000 0.944 200 K CB 0.262 32.793 32.500 0.051 0.000 0.770 200 K HN 0.170 nan 8.250 nan 0.000 0.480 201 R N 0.764 121.304 120.500 0.066 0.000 2.100 201 R HA 0.000 4.340 4.340 -0.000 0.000 0.220 201 R C 1.587 177.870 176.300 -0.028 0.000 1.091 201 R CA 0.607 56.717 56.100 0.017 0.000 0.986 201 R CB 0.030 30.337 30.300 0.012 0.000 0.888 201 R HN 0.174 nan 8.270 nan 0.000 0.444 202 L N -0.702 120.493 121.223 -0.046 0.000 2.249 202 L HA 0.129 4.469 4.340 -0.000 0.000 0.207 202 L C 0.218 176.803 176.870 -0.476 0.000 1.090 202 L CA 0.915 55.589 54.840 -0.277 0.000 0.802 202 L CB 0.138 41.969 42.059 -0.379 0.000 0.947 202 L HN -0.028 nan 8.230 nan 0.000 0.453 203 F N -0.173 119.761 119.950 -0.027 0.000 2.334 203 F HA 0.345 4.872 4.527 -0.000 0.000 0.343 203 F C -1.521 174.252 175.800 -0.047 0.000 1.136 203 F CA -1.935 56.040 58.000 -0.041 0.000 1.237 203 F CB 0.131 39.112 39.000 -0.032 0.000 1.525 203 F HN -0.117 nan 8.300 nan 0.000 0.528 204 P HA -0.111 nan 4.420 nan 0.000 0.213 204 P C -0.127 177.178 177.300 0.009 0.000 1.170 204 P CA 1.304 64.410 63.100 0.010 0.000 0.893 204 P CB 0.210 31.891 31.700 -0.032 0.000 0.784 205 D N -0.213 120.182 120.400 -0.008 0.000 2.339 205 D HA 0.180 4.820 4.640 -0.000 0.000 0.245 205 D C -2.012 174.273 176.300 -0.025 0.000 1.115 205 D CA -1.163 52.819 54.000 -0.030 0.000 0.917 205 D CB -0.481 40.282 40.800 -0.061 0.000 1.192 205 D HN 0.054 nan 8.370 nan 0.000 0.428 206 P HA 0.161 nan 4.420 nan 0.000 0.275 206 P C -0.698 176.531 177.300 -0.119 0.000 1.270 206 P CA -0.439 62.618 63.100 -0.070 0.000 0.791 206 P CB 0.600 32.258 31.700 -0.070 0.000 1.089 207 V N -0.441 119.368 119.914 -0.175 0.000 2.532 207 V HA 0.285 4.405 4.120 -0.000 0.000 0.294 207 V C 0.149 176.013 176.094 -0.382 0.000 1.036 207 V CA -0.609 61.498 62.300 -0.322 0.000 0.876 207 V CB 1.280 32.847 31.823 -0.426 0.000 1.012 207 V HN 0.732 nan 8.190 nan 0.000 0.432 208 T N 1.881 116.238 114.554 -0.329 0.000 2.881 208 T HA 0.582 4.932 4.350 -0.000 0.000 0.278 208 T C 1.284 175.830 174.700 -0.258 0.000 0.982 208 T CA -0.647 61.321 62.100 -0.219 0.000 0.989 208 T CB 1.291 70.098 68.868 -0.101 0.000 1.058 208 T HN 0.283 nan 8.240 nan 0.000 0.529 209 L N 0.129 121.322 121.223 -0.050 0.000 2.083 209 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 209 L C 2.315 179.236 176.870 0.084 0.000 1.083 209 L CA 1.473 56.330 54.840 0.027 0.000 0.752 209 L CB -0.739 41.336 42.059 0.026 0.000 0.899 209 L HN 0.706 nan 8.230 nan 0.000 0.433 210 D N 0.226 120.714 120.400 0.148 0.000 2.116 210 D HA -0.211 4.429 4.640 -0.000 0.000 0.193 210 D C 1.851 178.322 176.300 0.284 0.000 0.998 210 D CA 1.351 55.513 54.000 0.271 0.000 0.836 210 D CB -0.177 40.722 40.800 0.166 0.000 0.951 210 D HN 0.295 nan 8.370 nan 0.000 0.449 211 D N -0.543 119.900 120.400 0.072 0.000 2.123 211 D HA -0.151 4.489 4.640 -0.000 0.000 0.196 211 D C 2.156 178.648 176.300 0.320 0.000 0.992 211 D CA 0.664 54.705 54.000 0.067 0.000 0.833 211 D CB -0.354 40.325 40.800 -0.203 0.000 0.954 211 D HN 0.307 nan 8.370 nan 0.000 0.455 212 F N 0.391 120.439 119.950 0.164 0.000 2.031 212 F HA -0.170 4.357 4.527 -0.000 0.000 0.295 212 F C 2.484 178.436 175.800 0.254 0.000 1.133 212 F CA 0.689 58.748 58.000 0.098 0.000 1.188 212 F CB -0.502 38.381 39.000 -0.195 0.000 0.974 212 F HN -0.115 nan 8.300 nan 0.000 0.473 213 F N -1.240 119.012 119.950 0.503 0.000 2.202 213 F HA -0.294 4.233 4.527 -0.000 0.000 0.301 213 F C 2.250 178.375 175.800 0.542 0.000 1.082 213 F CA 0.967 59.223 58.000 0.427 0.000 1.313 213 F CB -0.576 38.602 39.000 0.296 0.000 1.024 213 F HN 0.171 nan 8.300 nan 0.000 0.495 214 W N 1.161 122.800 121.300 0.564 0.000 2.332 214 W HA -0.253 4.407 4.660 -0.000 0.000 0.321 214 W C 2.432 179.171 176.519 0.367 0.000 1.219 214 W CA 2.163 59.767 57.345 0.431 0.000 1.277 214 W CB -0.711 28.903 29.460 0.257 0.000 1.161 214 W HN -0.081 nan 8.180 nan 0.000 0.476 215 A N -0.297 122.770 122.820 0.412 0.000 1.933 215 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 215 A C 1.950 179.604 177.584 0.116 0.000 1.175 215 A CA 1.542 53.613 52.037 0.056 0.000 0.628 215 A CB -1.462 17.814 19.000 0.460 0.000 0.814 215 A HN 0.541 nan 8.150 nan 0.000 0.444 216 F N 1.183 121.241 119.950 0.179 0.000 2.146 216 F HA 0.013 4.540 4.527 -0.000 0.000 0.298 216 F C 2.257 178.074 175.800 0.029 0.000 1.096 216 F CA 1.396 59.485 58.000 0.148 0.000 1.275 216 F CB -0.800 38.344 39.000 0.240 0.000 1.008 216 F HN 0.183 nan 8.300 nan 0.000 0.480 217 G N 1.100 109.889 108.800 -0.020 0.000 2.433 217 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 217 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 217 G C 1.883 176.642 174.900 -0.235 0.000 1.186 217 G CA 1.059 46.076 45.100 -0.139 0.000 0.779 217 G HN 0.445 nan 8.290 nan 0.000 0.543 218 I N 0.048 120.449 120.570 -0.282 0.000 2.248 218 I HA -0.184 3.986 4.170 -0.000 0.000 0.248 218 I C 2.665 178.625 176.117 -0.262 0.000 1.107 218 I CA 0.825 61.923 61.300 -0.337 0.000 1.373 218 I CB -0.255 37.388 38.000 -0.594 0.000 1.055 218 I HN 0.161 nan 8.210 nan 0.000 0.418 219 L N 0.898 121.966 121.223 -0.259 0.000 2.005 219 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 219 L C 2.660 179.336 176.870 -0.324 0.000 1.072 219 L CA 1.822 56.526 54.840 -0.227 0.000 0.744 219 L CB -0.622 41.354 42.059 -0.137 0.000 0.895 219 L HN 0.069 nan 8.230 nan 0.000 0.433 220 R N -1.204 118.997 120.500 -0.498 0.000 2.235 220 R HA -0.048 4.292 4.340 -0.000 0.000 0.213 220 R C 1.759 177.787 176.300 -0.454 0.000 1.059 220 R CA 1.146 56.919 56.100 -0.544 0.000 0.997 220 R CB 0.000 29.821 30.300 -0.799 0.000 0.884 220 R HN 0.586 nan 8.270 nan 0.000 0.462 221 S N -1.659 113.854 115.700 -0.311 0.000 2.523 221 S HA 0.224 4.694 4.470 -0.000 0.000 0.217 221 S C 1.431 175.981 174.600 -0.083 0.000 0.996 221 S CA -0.671 57.471 58.200 -0.097 0.000 0.921 221 S CB 0.472 63.683 63.200 0.019 0.000 0.829 221 S HN 0.273 nan 8.310 nan 0.000 0.495 222 R N 0.893 121.261 120.500 -0.220 0.000 2.197 222 R HA 0.485 4.825 4.340 -0.000 0.000 0.188 222 R C 0.939 176.942 176.300 -0.496 0.000 1.015 222 R CA 0.516 56.440 56.100 -0.293 0.000 1.132 222 R CB -0.269 29.930 30.300 -0.167 0.000 1.134 222 R HN 0.351 nan 8.270 nan 0.000 0.560 223 A N 1.623 124.228 122.820 -0.358 0.000 2.547 223 A HA 0.127 4.447 4.320 -0.000 0.000 0.233 223 A C -0.638 176.662 177.584 -0.473 0.000 1.067 223 A CA 0.447 52.294 52.037 -0.318 0.000 0.763 223 A CB -0.121 18.772 19.000 -0.178 0.000 1.007 223 A HN 0.178 nan 8.150 nan 0.000 0.506 224 F N 1.505 121.285 119.950 -0.284 0.000 2.308 224 F HA 0.278 4.805 4.527 -0.000 0.000 0.370 224 F C 1.548 177.302 175.800 -0.077 0.000 1.100 224 F CA 0.131 57.978 58.000 -0.255 0.000 1.108 224 F CB 1.259 39.890 39.000 -0.614 0.000 1.293 224 F HN 0.614 nan 8.300 nan 0.000 0.478 225 S N 1.577 117.336 115.700 0.098 0.000 2.425 225 S HA -0.039 4.431 4.470 -0.000 0.000 0.225 225 S C 1.292 175.990 174.600 0.163 0.000 1.024 225 S CA -0.012 58.247 58.200 0.098 0.000 0.951 225 S CB -0.155 63.062 63.200 0.029 0.000 0.796 225 S HN 0.552 nan 8.310 nan 0.000 0.498 226 R N 1.122 121.759 120.500 0.228 0.000 2.605 226 R HA 0.440 4.780 4.340 -0.000 0.000 0.271 226 R C -1.323 174.989 176.300 0.020 0.000 1.418 226 R CA -0.093 56.112 56.100 0.174 0.000 1.102 226 R CB -0.528 29.878 30.300 0.176 0.000 1.131 226 R HN 0.374 nan 8.270 nan 0.000 0.554 227 L N 2.046 123.343 121.223 0.124 0.000 2.612 227 L HA 0.365 4.705 4.340 -0.000 0.000 0.256 227 L C -1.231 175.734 176.870 0.159 0.000 0.949 227 L CA -0.580 54.334 54.840 0.124 0.000 0.867 227 L CB 1.868 44.066 42.059 0.232 0.000 1.417 227 L HN 0.403 nan 8.230 nan 0.000 0.414 228 R N 3.556 124.148 120.500 0.154 0.000 2.390 228 R HA 0.485 4.824 4.340 -0.000 0.000 0.291 228 R C 0.201 176.578 176.300 0.128 0.000 1.070 228 R CA 0.008 56.183 56.100 0.125 0.000 1.014 228 R CB 0.259 30.619 30.300 0.100 0.000 1.007 228 R HN 0.734 nan 8.270 nan 0.000 0.466 229 N N 0.424 119.197 118.700 0.122 0.000 2.909 229 N HA -0.162 4.578 4.740 -0.000 0.000 0.242 229 N C -1.016 174.588 175.510 0.157 0.000 0.975 229 N CA 1.369 54.500 53.050 0.136 0.000 0.921 229 N CB -0.593 37.990 38.487 0.159 0.000 1.112 229 N HN 0.631 nan 8.380 nan 0.000 0.581 230 E N -0.212 120.078 120.200 0.150 0.000 2.291 230 E HA 0.388 4.738 4.350 -0.000 0.000 0.276 230 E C 0.134 176.809 176.600 0.125 0.000 0.896 230 E CA -0.429 56.062 56.400 0.151 0.000 0.774 230 E CB 1.229 31.038 29.700 0.181 0.000 1.227 230 E HN 0.112 nan 8.360 nan 0.000 0.413 231 N N 0.758 119.519 118.700 0.102 0.000 2.239 231 N HA 0.176 4.916 4.740 -0.000 0.000 0.208 231 N C -0.396 175.147 175.510 0.054 0.000 1.200 231 N CA 0.155 53.254 53.050 0.082 0.000 0.895 231 N CB 0.957 39.489 38.487 0.076 0.000 1.085 231 N HN 0.141 nan 8.380 nan 0.000 0.500 232 L N 1.005 122.257 121.223 0.049 0.000 2.511 232 L HA 0.388 4.728 4.340 -0.000 0.000 0.252 232 L C -1.251 175.610 176.870 -0.016 0.000 1.542 232 L CA -0.316 54.533 54.840 0.015 0.000 0.822 232 L CB 1.327 43.415 42.059 0.048 0.000 1.050 232 L HN -0.220 nan 8.230 nan 0.000 0.516 233 V N 0.427 120.310 119.914 -0.051 0.000 2.394 233 V HA 0.545 4.665 4.120 -0.000 0.000 0.282 233 V C 0.203 176.163 176.094 -0.223 0.000 1.031 233 V CA -0.812 61.388 62.300 -0.166 0.000 0.881 233 V CB 1.997 33.643 31.823 -0.295 0.000 0.982 233 V HN 0.111 nan 8.190 nan 0.000 0.451 234 V N 5.304 125.068 119.914 -0.250 0.000 2.398 234 V HA 0.467 4.587 4.120 -0.000 0.000 0.286 234 V C -0.169 175.708 176.094 -0.362 0.000 1.026 234 V CA -0.505 61.662 62.300 -0.221 0.000 0.868 234 V CB 1.838 33.571 31.823 -0.150 0.000 0.982 234 V HN 0.631 nan 8.190 nan 0.000 0.443 235 V N 6.851 126.555 119.914 -0.351 0.000 2.327 235 V HA 0.251 4.371 4.120 -0.000 0.000 0.272 235 V C -1.638 174.398 176.094 -0.097 0.000 1.019 235 V CA -1.362 60.672 62.300 -0.443 0.000 0.814 235 V CB 1.335 32.497 31.823 -1.101 0.000 1.040 235 V HN 0.658 nan 8.190 nan 0.000 0.440 236 P HA -0.289 nan 4.420 nan 0.000 0.221 236 P C 1.617 179.240 177.300 0.538 0.000 1.153 236 P CA 1.722 64.939 63.100 0.196 0.000 0.858 236 P CB 0.256 31.985 31.700 0.048 0.000 0.783 237 M N -0.606 119.185 119.600 0.318 0.000 2.142 237 M HA 0.126 4.606 4.480 -0.000 0.000 0.256 237 M C 1.689 178.181 176.300 0.319 0.000 1.098 237 M CA 1.964 57.459 55.300 0.325 0.000 1.151 237 M CB -1.132 31.560 32.600 0.154 0.000 1.299 237 M HN -0.186 nan 8.290 nan 0.000 0.431 238 A N -0.471 122.479 122.820 0.217 0.000 2.250 238 A HA 0.001 4.321 4.320 -0.000 0.000 0.208 238 A C 1.334 179.139 177.584 0.368 0.000 1.254 238 A CA 1.157 53.346 52.037 0.253 0.000 0.858 238 A CB -1.316 17.799 19.000 0.191 0.000 0.820 238 A HN 0.693 nan 8.150 nan 0.000 0.484 239 D N -0.203 120.392 120.400 0.324 0.000 2.162 239 D HA -0.028 4.612 4.640 -0.000 0.000 0.203 239 D C 1.614 178.048 176.300 0.223 0.000 0.967 239 D CA 0.832 55.001 54.000 0.282 0.000 0.840 239 D CB -0.077 40.905 40.800 0.303 0.000 0.972 239 D HN 0.443 nan 8.370 nan 0.000 0.482 240 L N 0.296 121.668 121.223 0.249 0.000 2.549 240 L HA 0.053 4.393 4.340 -0.000 0.000 0.229 240 L C 0.745 177.722 176.870 0.177 0.000 1.158 240 L CA -0.362 54.592 54.840 0.190 0.000 0.842 240 L CB -0.322 41.858 42.059 0.202 0.000 0.952 240 L HN 0.137 nan 8.230 nan 0.000 0.452 241 I N 1.019 121.727 120.570 0.230 0.000 2.668 241 I HA -0.037 4.133 4.170 -0.000 0.000 0.285 241 I C 0.489 176.777 176.117 0.285 0.000 1.168 241 I CA 0.473 61.912 61.300 0.231 0.000 1.424 241 I CB 0.026 38.214 38.000 0.313 0.000 1.377 241 I HN 0.117 nan 8.210 nan 0.000 0.560 242 N N 4.863 123.679 118.700 0.195 0.000 2.478 242 N HA 0.226 4.966 4.740 -0.000 0.000 0.275 242 N C -0.965 174.613 175.510 0.113 0.000 1.221 242 N CA -0.539 52.632 53.050 0.201 0.000 0.979 242 N CB 0.687 39.261 38.487 0.145 0.000 1.202 242 N HN 0.682 nan 8.380 nan 0.000 0.564 243 H N -1.099 117.677 119.070 -0.490 0.000 2.472 243 H HA 0.523 5.079 4.556 -0.000 0.000 0.335 243 H C -0.926 174.068 175.328 -0.558 0.000 1.136 243 H CA -0.201 55.366 56.048 -0.802 0.000 1.264 243 H CB 0.859 29.672 29.762 -1.583 0.000 1.486 243 H HN 0.302 nan 8.280 nan 0.000 0.517 244 S N 2.630 117.596 115.700 -1.224 0.000 2.546 244 S HA 0.503 4.973 4.470 -0.000 0.000 0.272 244 S C 0.409 174.488 174.600 -0.868 0.000 1.140 244 S CA -0.119 57.435 58.200 -1.077 0.000 0.920 244 S CB 0.993 63.506 63.200 -1.146 0.000 1.083 244 S HN 0.945 nan 8.310 nan 0.000 0.476 245 A N 3.304 125.790 122.820 -0.558 0.000 2.216 245 A HA 0.220 4.540 4.320 -0.000 0.000 0.214 245 A C 1.898 179.351 177.584 -0.218 0.000 1.160 245 A CA 1.518 53.388 52.037 -0.278 0.000 0.725 245 A CB -1.047 17.870 19.000 -0.138 0.000 0.784 245 A HN 1.109 nan 8.150 nan 0.000 0.472 246 G N -0.311 108.325 108.800 -0.275 0.000 2.418 246 G HA2 0.034 3.994 3.960 -0.000 0.000 0.217 246 G HA3 0.034 3.994 3.960 -0.000 0.000 0.217 246 G C 0.676 175.506 174.900 -0.117 0.000 1.158 246 G CA 0.891 45.887 45.100 -0.172 0.000 0.771 246 G HN 0.299 nan 8.290 nan 0.000 0.545 247 V N 2.011 121.841 119.914 -0.139 0.000 2.446 247 V HA 0.273 4.393 4.120 -0.000 0.000 0.276 247 V C 1.259 177.329 176.094 -0.040 0.000 1.030 247 V CA 0.973 63.235 62.300 -0.062 0.000 1.033 247 V CB 0.832 32.632 31.823 -0.038 0.000 0.993 247 V HN 0.429 nan 8.190 nan 0.000 0.477 248 T N -0.457 114.089 114.554 -0.014 0.000 3.174 248 T HA 0.123 4.473 4.350 -0.000 0.000 0.269 248 T C 0.496 175.206 174.700 0.016 0.000 1.017 248 T CA -0.179 61.922 62.100 0.002 0.000 0.899 248 T CB -0.048 68.817 68.868 -0.006 0.000 1.077 248 T HN 0.551 nan 8.240 nan 0.000 0.552 249 T N 2.712 117.281 114.554 0.024 0.000 3.401 249 T HA 0.247 4.597 4.350 -0.000 0.000 0.341 249 T C 0.706 175.437 174.700 0.050 0.000 1.674 249 T CA -0.618 61.498 62.100 0.026 0.000 1.600 249 T CB 0.633 69.510 68.868 0.016 0.000 0.974 249 T HN 0.610 nan 8.240 nan 0.000 0.672 250 E N 0.262 120.505 120.200 0.071 0.000 2.482 250 E HA -0.065 4.285 4.350 -0.000 0.000 0.200 250 E C -0.327 176.335 176.600 0.103 0.000 1.147 250 E CA 0.003 56.473 56.400 0.116 0.000 0.912 250 E CB -0.203 29.582 29.700 0.141 0.000 0.938 250 E HN 0.309 nan 8.360 nan 0.000 0.519 251 D N 2.731 123.157 120.400 0.043 0.000 2.597 251 D HA 0.003 4.643 4.640 -0.000 0.000 0.228 251 D C -0.582 175.722 176.300 0.007 0.000 1.120 251 D CA 0.155 54.142 54.000 -0.022 0.000 1.083 251 D CB -0.935 39.829 40.800 -0.061 0.000 1.116 251 D HN 0.340 nan 8.370 nan 0.000 0.487 252 H N 0.156 119.132 119.070 -0.158 0.000 3.098 252 H HA -0.184 4.372 4.556 -0.000 0.000 0.279 252 H C 0.566 175.747 175.328 -0.246 0.000 0.770 252 H CA 0.147 55.979 56.048 -0.361 0.000 0.867 252 H CB 0.086 29.583 29.762 -0.441 0.000 1.490 252 H HN 0.495 nan 8.280 nan 0.000 0.299 253 A N 3.904 126.693 122.820 -0.051 0.000 2.238 253 A HA 0.121 4.441 4.320 -0.000 0.000 0.210 253 A C 0.172 177.775 177.584 0.032 0.000 1.179 253 A CA 0.635 52.716 52.037 0.073 0.000 0.827 253 A CB 0.129 19.262 19.000 0.221 0.000 0.856 253 A HN 0.543 nan 8.150 nan 0.000 0.488 254 Y N -2.516 117.686 120.300 -0.164 0.000 2.499 254 Y HA 0.811 5.361 4.550 -0.000 0.000 0.347 254 Y C -0.510 175.141 175.900 -0.414 0.000 0.987 254 Y CA -1.400 56.419 58.100 -0.467 0.000 1.044 254 Y CB 1.027 38.946 38.460 -0.902 0.000 1.245 254 Y HN 0.113 nan 8.280 nan 0.000 0.461 255 E N 1.745 121.738 120.200 -0.344 0.000 2.393 255 E HA 0.680 5.030 4.350 -0.000 0.000 0.273 255 E C -1.900 174.559 176.600 -0.236 0.000 0.918 255 E CA -1.127 55.136 56.400 -0.229 0.000 0.773 255 E CB 2.891 32.507 29.700 -0.141 0.000 1.275 255 E HN 0.656 nan 8.360 nan 0.000 0.451 256 V N 2.875 122.706 119.914 -0.138 0.000 2.427 256 V HA 0.471 4.591 4.120 -0.000 0.000 0.286 256 V C -0.012 176.009 176.094 -0.122 0.000 1.034 256 V CA -0.387 61.848 62.300 -0.110 0.000 0.893 256 V CB 1.297 33.038 31.823 -0.136 0.000 0.982 256 V HN 0.611 nan 8.190 nan 0.000 0.452 268 L N 2.869 124.229 121.223 0.229 0.000 2.600 268 L HA 0.621 4.961 4.340 -0.000 0.000 0.257 268 L C -1.838 175.397 176.870 0.608 0.000 1.048 268 L CA -0.839 54.228 54.840 0.378 0.000 0.869 268 L CB 2.148 44.318 42.059 0.185 0.000 1.482 268 L HN 0.468 nan 8.230 nan 0.000 0.408 269 F N 1.096 121.339 119.950 0.490 0.000 2.347 269 F HA 0.554 5.081 4.527 -0.000 0.000 0.366 269 F C -0.135 175.677 175.800 0.021 0.000 1.107 269 F CA -0.163 57.886 58.000 0.081 0.000 1.058 269 F CB 1.385 40.187 39.000 -0.329 0.000 1.236 269 F HN 0.262 nan 8.300 nan 0.000 0.456 270 S N 6.433 121.995 115.700 -0.230 0.000 2.420 270 S HA 0.402 4.872 4.470 -0.000 0.000 0.313 270 S C -0.842 173.616 174.600 -0.236 0.000 1.079 270 S CA -0.467 57.644 58.200 -0.148 0.000 1.104 270 S CB 0.582 63.726 63.200 -0.095 0.000 0.969 270 S HN 0.547 nan 8.310 nan 0.000 0.471 271 L N 6.476 127.635 121.223 -0.107 0.000 2.261 271 L HA 0.426 4.766 4.340 -0.000 0.000 0.289 271 L C -0.208 176.667 176.870 0.007 0.000 1.059 271 L CA -0.116 54.699 54.840 -0.043 0.000 0.816 271 L CB 0.175 42.272 42.059 0.064 0.000 1.191 271 L HN 0.477 nan 8.230 nan 0.000 0.431 272 K N 2.780 123.183 120.400 0.006 0.000 2.293 272 K HA 0.422 4.741 4.320 -0.000 0.000 0.267 272 K C -0.173 176.454 176.600 0.046 0.000 1.010 272 K CA -0.468 55.830 56.287 0.018 0.000 0.875 272 K CB 1.437 33.933 32.500 -0.006 0.000 1.106 272 K HN 0.458 nan 8.250 nan 0.000 0.450 273 S N 4.295 120.026 115.700 0.052 0.000 2.555 273 S HA 0.047 4.517 4.470 -0.000 0.000 0.293 273 S C -1.082 173.549 174.600 0.052 0.000 1.248 273 S CA -1.189 57.048 58.200 0.062 0.000 1.096 273 S CB 0.272 63.503 63.200 0.052 0.000 0.881 273 S HN 0.620 nan 8.310 nan 0.000 0.498 274 P HA 0.083 nan 4.420 nan 0.000 0.234 274 P C -0.226 177.097 177.300 0.038 0.000 1.167 274 P CA 0.578 63.707 63.100 0.048 0.000 0.763 274 P CB 0.035 31.773 31.700 0.062 0.000 0.835 275 L N -1.525 119.724 121.223 0.043 0.000 2.376 275 L HA 0.353 4.693 4.340 -0.000 0.000 0.258 275 L C 0.012 176.902 176.870 0.033 0.000 1.013 275 L CA -1.030 53.831 54.840 0.035 0.000 0.822 275 L CB 2.140 44.224 42.059 0.041 0.000 1.388 275 L HN -0.382 nan 8.230 nan 0.000 0.413 276 S N 0.918 116.633 115.700 0.025 0.000 2.499 276 S HA 0.485 4.955 4.470 -0.000 0.000 0.275 276 S C -0.300 174.315 174.600 0.025 0.000 1.257 276 S CA -0.503 57.710 58.200 0.021 0.000 1.050 276 S CB 1.142 64.351 63.200 0.015 0.000 0.937 276 S HN 0.267 nan 8.310 nan 0.000 0.490 277 V N 4.402 124.329 119.914 0.023 0.000 2.540 277 V HA 0.363 4.483 4.120 -0.000 0.000 0.302 277 V C 0.043 176.146 176.094 0.014 0.000 1.035 277 V CA -0.965 61.347 62.300 0.021 0.000 0.873 277 V CB 1.879 33.712 31.823 0.017 0.000 0.992 277 V HN 0.742 nan 8.190 nan 0.000 0.428 278 K N 2.400 122.808 120.400 0.013 0.000 2.154 278 K HA 0.663 4.983 4.320 -0.000 0.000 0.264 278 K C 0.286 176.889 176.600 0.005 0.000 1.008 278 K CA -0.330 55.963 56.287 0.009 0.000 0.937 278 K CB 1.176 33.682 32.500 0.009 0.000 1.002 278 K HN 0.841 nan 8.250 nan 0.000 0.469 279 A N 1.117 123.941 122.820 0.006 0.000 2.548 279 A HA 0.333 4.653 4.320 -0.000 0.000 0.247 279 A C 1.178 178.761 177.584 -0.002 0.000 1.067 279 A CA 1.058 53.097 52.037 0.003 0.000 0.757 279 A CB -0.829 18.174 19.000 0.006 0.000 0.996 279 A HN 0.936 nan 8.150 nan 0.000 0.504 280 G N 1.905 110.699 108.800 -0.009 0.000 2.284 280 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.216 280 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.216 280 G C 0.112 174.999 174.900 -0.023 0.000 1.009 280 G CA 0.247 45.337 45.100 -0.016 0.000 0.625 280 G HN 0.816 nan 8.290 nan 0.000 0.501 281 E N 0.641 120.830 120.200 -0.019 0.000 2.345 281 E HA 0.486 4.836 4.350 -0.000 0.000 0.259 281 E C 0.206 176.766 176.600 -0.067 0.000 1.117 281 E CA -0.491 55.895 56.400 -0.022 0.000 0.913 281 E CB 0.863 30.566 29.700 0.005 0.000 1.057 281 E HN 0.421 nan 8.360 nan 0.000 0.432 282 Q N 0.828 120.556 119.800 -0.119 0.000 2.259 282 Q HA 0.259 4.599 4.340 -0.000 0.000 0.246 282 Q C -1.225 174.555 176.000 -0.365 0.000 0.920 282 Q CA -0.536 55.078 55.803 -0.315 0.000 0.895 282 Q CB 1.171 29.568 28.738 -0.568 0.000 1.220 282 Q HN 0.262 nan 8.270 nan 0.000 0.439 283 V N 4.872 124.581 119.914 -0.342 0.000 2.407 283 V HA 0.324 4.444 4.120 -0.000 0.000 0.278 283 V C -0.815 175.124 176.094 -0.259 0.000 1.037 283 V CA -0.318 61.874 62.300 -0.179 0.000 0.900 283 V CB 0.154 31.947 31.823 -0.050 0.000 0.983 283 V HN 0.711 nan 8.190 nan 0.000 0.459 284 Y N 4.762 125.063 120.300 0.003 0.000 2.753 284 Y HA 0.835 5.385 4.550 -0.000 0.000 0.324 284 Y C 0.308 176.221 175.900 0.021 0.000 1.147 284 Y CA -1.005 57.082 58.100 -0.021 0.000 1.173 284 Y CB 1.936 40.325 38.460 -0.118 0.000 1.361 284 Y HN 0.615 nan 8.280 nan 0.000 0.545 285 I N -1.441 119.257 120.570 0.214 0.000 3.149 285 I HA 0.493 4.663 4.170 -0.000 0.000 0.310 285 I C -1.706 174.483 176.117 0.120 0.000 1.343 285 I CA -1.394 60.026 61.300 0.200 0.000 0.955 285 I CB 2.210 40.416 38.000 0.344 0.000 1.309 285 I HN 0.377 nan 8.210 nan 0.000 0.478 286 Q N 1.783 121.696 119.800 0.189 0.000 2.390 286 Q HA 0.413 4.753 4.340 -0.000 0.000 0.249 286 Q C -0.588 175.692 176.000 0.468 0.000 0.996 286 Q CA -0.184 55.754 55.803 0.225 0.000 0.899 286 Q CB 0.535 29.363 28.738 0.149 0.000 1.216 286 Q HN 0.738 nan 8.270 nan 0.000 0.465 287 Y N 1.820 122.369 120.300 0.415 0.000 2.165 287 Y HA -0.115 4.434 4.550 -0.000 0.000 0.286 287 Y C 0.539 176.543 175.900 0.174 0.000 1.155 287 Y CA 0.728 58.938 58.100 0.184 0.000 1.164 287 Y CB 0.714 39.102 38.460 -0.121 0.000 0.978 287 Y HN 0.545 nan 8.280 nan 0.000 0.513 288 D N -1.561 119.044 120.400 0.342 0.000 2.301 288 D HA 0.066 4.706 4.640 -0.000 0.000 0.187 288 D C -0.157 176.257 176.300 0.190 0.000 1.264 288 D CA -0.106 54.034 54.000 0.233 0.000 0.849 288 D CB 0.366 41.290 40.800 0.207 0.000 1.828 288 D HN 0.033 nan 8.370 nan 0.000 0.526 289 L N 2.481 123.794 121.223 0.150 0.000 2.093 289 L HA -0.047 4.293 4.340 -0.000 0.000 0.208 289 L C 1.980 178.898 176.870 0.080 0.000 1.085 289 L CA 0.728 55.635 54.840 0.111 0.000 0.755 289 L CB -0.231 41.871 42.059 0.072 0.000 0.904 289 L HN 0.351 nan 8.230 nan 0.000 0.435 290 N N 0.144 118.883 118.700 0.065 0.000 2.457 290 N HA -0.037 4.703 4.740 -0.000 0.000 0.180 290 N C 0.508 176.082 175.510 0.106 0.000 1.050 290 N CA 0.558 53.627 53.050 0.031 0.000 0.906 290 N CB 0.054 38.549 38.487 0.014 0.000 0.968 290 N HN 0.368 nan 8.380 nan 0.000 0.445 291 K N 1.272 121.752 120.400 0.134 0.000 2.319 291 K HA 0.083 4.403 4.320 -0.000 0.000 0.265 291 K C 0.828 177.560 176.600 0.220 0.000 1.000 291 K CA -0.133 56.245 56.287 0.152 0.000 0.943 291 K CB 0.678 33.238 32.500 0.100 0.000 0.950 291 K HN 0.085 nan 8.250 nan 0.000 0.485 292 S N 0.745 116.563 115.700 0.196 0.000 2.713 292 S HA 0.171 4.641 4.470 -0.000 0.000 0.277 292 S C 0.848 175.478 174.600 0.049 0.000 1.168 292 S CA -0.769 57.520 58.200 0.149 0.000 0.994 292 S CB 0.867 64.028 63.200 -0.065 0.000 1.054 292 S HN 0.526 nan 8.310 nan 0.000 0.555 293 N N 0.550 119.273 118.700 0.039 0.000 2.270 293 N HA -0.022 4.718 4.740 -0.000 0.000 0.181 293 N C 1.924 177.417 175.510 -0.028 0.000 1.016 293 N CA 1.215 54.281 53.050 0.027 0.000 0.870 293 N CB -0.924 37.628 38.487 0.107 0.000 0.979 293 N HN 0.758 nan 8.380 nan 0.000 0.431 294 A N 1.704 124.495 122.820 -0.049 0.000 1.865 294 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 294 A C 2.062 179.560 177.584 -0.144 0.000 1.191 294 A CA 1.425 53.399 52.037 -0.106 0.000 0.623 294 A CB -0.535 18.383 19.000 -0.136 0.000 0.826 294 A HN 0.344 nan 8.150 nan 0.000 0.444 295 E N -0.136 119.990 120.200 -0.124 0.000 2.077 295 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 295 E C 2.005 178.486 176.600 -0.198 0.000 0.989 295 E CA 1.140 57.449 56.400 -0.152 0.000 0.800 295 E CB -0.337 29.308 29.700 -0.091 0.000 0.746 295 E HN 0.623 nan 8.360 nan 0.000 0.452 296 L N 0.717 121.846 121.223 -0.157 0.000 2.046 296 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 296 L C 2.664 179.346 176.870 -0.313 0.000 1.077 296 L CA 0.933 55.632 54.840 -0.236 0.000 0.747 296 L CB -0.561 41.307 42.059 -0.318 0.000 0.896 296 L HN 0.144 nan 8.230 nan 0.000 0.432 297 A N -0.085 122.601 122.820 -0.223 0.000 1.940 297 A HA -0.236 4.084 4.320 -0.000 0.000 0.219 297 A C 2.266 179.708 177.584 -0.237 0.000 1.176 297 A CA 1.922 53.854 52.037 -0.176 0.000 0.631 297 A CB -0.572 18.348 19.000 -0.134 0.000 0.814 297 A HN 0.434 nan 8.150 nan 0.000 0.446 298 L N -1.560 119.489 121.223 -0.291 0.000 2.298 298 L HA 0.026 4.366 4.340 -0.000 0.000 0.209 298 L C 1.447 178.084 176.870 -0.388 0.000 1.084 298 L CA 1.134 55.779 54.840 -0.325 0.000 0.816 298 L CB -0.053 41.825 42.059 -0.301 0.000 0.967 298 L HN 0.197 nan 8.230 nan 0.000 0.460 299 D N -0.987 119.091 120.400 -0.537 0.000 2.183 299 D HA -0.026 4.614 4.640 -0.000 0.000 0.203 299 D C -0.323 175.346 176.300 -1.052 0.000 0.969 299 D CA 1.199 54.671 54.000 -0.879 0.000 0.842 299 D CB 0.165 40.265 40.800 -1.168 0.000 0.957 299 D HN 0.307 nan 8.370 nan 0.000 0.484 300 Y N -1.946 118.224 120.300 -0.217 0.000 2.705 300 Y HA 0.577 5.127 4.550 -0.000 0.000 0.332 300 Y C 1.149 177.009 175.900 -0.067 0.000 1.157 300 Y CA -1.544 56.500 58.100 -0.093 0.000 1.091 300 Y CB 1.056 39.492 38.460 -0.039 0.000 1.301 300 Y HN -0.283 nan 8.280 nan 0.000 0.488 301 G N 0.547 109.524 108.800 0.295 0.000 3.943 301 G HA2 0.449 4.409 3.960 -0.000 0.000 0.275 301 G HA3 0.449 4.409 3.960 -0.000 0.000 0.275 301 G C -1.037 174.073 174.900 0.350 0.000 1.234 301 G CA -0.021 45.246 45.100 0.278 0.000 1.522 301 G HN 0.440 nan 8.290 nan 0.000 0.636 302 F N -0.620 119.441 119.950 0.185 0.000 2.713 302 F HA 0.801 5.328 4.527 -0.000 0.000 0.311 302 F C -1.141 174.720 175.800 0.101 0.000 1.141 302 F CA -2.310 55.769 58.000 0.132 0.000 0.939 302 F CB 1.231 40.283 39.000 0.086 0.000 1.325 302 F HN 0.125 nan 8.300 nan 0.000 0.453 303 I N -1.506 119.288 120.570 0.372 0.000 3.191 303 I HA 0.726 4.896 4.170 -0.000 0.000 0.313 303 I C -1.489 174.805 176.117 0.295 0.000 1.193 303 I CA -1.058 60.378 61.300 0.226 0.000 0.968 303 I CB 2.622 40.708 38.000 0.144 0.000 1.262 303 I HN 0.748 nan 8.210 nan 0.000 0.456 304 E N 1.794 122.104 120.200 0.184 0.000 2.235 304 E HA 0.393 4.743 4.350 -0.000 0.000 0.265 304 E C -2.152 174.476 176.600 0.047 0.000 0.940 304 E CA -1.655 54.822 56.400 0.128 0.000 0.819 304 E CB 2.015 31.790 29.700 0.125 0.000 1.206 304 E HN 0.469 nan 8.360 nan 0.000 0.409 305 P HA -0.068 nan 4.420 nan 0.000 0.225 305 P C -0.032 177.236 177.300 -0.053 0.000 1.156 305 P CA 0.464 63.566 63.100 0.004 0.000 0.787 305 P CB 0.158 31.865 31.700 0.012 0.000 0.802 306 N N 1.421 120.089 118.700 -0.053 0.000 2.394 306 N HA -0.123 4.617 4.740 -0.000 0.000 0.277 306 N C 1.130 176.528 175.510 -0.187 0.000 1.346 306 N CA 0.362 53.374 53.050 -0.064 0.000 0.910 306 N CB 0.082 38.560 38.487 -0.015 0.000 1.201 306 N HN 0.299 nan 8.380 nan 0.000 0.488 307 E N 2.308 122.424 120.200 -0.140 0.000 2.331 307 E HA -0.229 4.121 4.350 -0.000 0.000 0.199 307 E C 0.128 176.710 176.600 -0.030 0.000 1.008 307 E CA 0.901 57.183 56.400 -0.197 0.000 0.843 307 E CB -0.124 29.564 29.700 -0.020 0.000 0.761 307 E HN 0.488 nan 8.360 nan 0.000 0.507 308 N N 0.571 119.309 118.700 0.065 0.000 2.461 308 N HA 0.005 4.745 4.740 -0.000 0.000 0.188 308 N C 1.102 176.751 175.510 0.231 0.000 1.134 308 N CA 0.283 53.449 53.050 0.194 0.000 0.878 308 N CB 0.122 38.697 38.487 0.146 0.000 0.972 308 N HN 0.192 nan 8.380 nan 0.000 0.456 309 R N 0.165 120.703 120.500 0.064 0.000 2.280 309 R HA 0.102 4.442 4.340 -0.000 0.000 0.195 309 R C -0.060 176.301 176.300 0.103 0.000 0.935 309 R CA -0.004 56.175 56.100 0.133 0.000 1.033 309 R CB -0.097 30.213 30.300 0.018 0.000 0.964 309 R HN 0.466 nan 8.270 nan 0.000 0.489 310 H N 0.076 119.210 119.070 0.107 0.000 2.803 310 H HA 0.325 4.881 4.556 -0.000 0.000 0.330 310 H C 0.026 175.275 175.328 -0.132 0.000 1.057 310 H CA -0.133 55.910 56.048 -0.008 0.000 1.458 310 H CB 0.952 30.701 29.762 -0.022 0.000 1.470 310 H HN 0.154 nan 8.280 nan 0.000 0.560 311 A N 3.547 126.271 122.820 -0.160 0.000 2.587 311 A HA 0.540 4.860 4.320 -0.000 0.000 0.293 311 A C -2.032 175.471 177.584 -0.135 0.000 1.087 311 A CA -0.606 51.165 52.037 -0.443 0.000 0.692 311 A CB 1.416 19.597 19.000 -1.364 0.000 1.291 311 A HN 0.705 nan 8.150 nan 0.000 0.407 312 Y N 0.325 120.524 120.300 -0.168 0.000 2.362 312 Y HA 0.536 5.085 4.550 -0.000 0.000 0.326 312 Y C 0.049 175.942 175.900 -0.012 0.000 1.083 312 Y CA -0.043 58.023 58.100 -0.057 0.000 1.073 312 Y CB 2.085 40.546 38.460 0.002 0.000 1.211 312 Y HN 0.843 nan 8.280 nan 0.000 0.433 313 T N 6.838 121.363 114.554 -0.049 0.000 2.767 313 T HA 0.540 4.890 4.350 -0.000 0.000 0.288 313 T C -0.793 174.050 174.700 0.239 0.000 0.963 313 T CA -0.448 61.717 62.100 0.108 0.000 1.019 313 T CB 0.084 68.959 68.868 0.011 0.000 0.923 313 T HN 0.589 nan 8.240 nan 0.000 0.468 314 L N 4.511 125.922 121.223 0.313 0.000 2.307 314 L HA 0.518 4.858 4.340 -0.000 0.000 0.282 314 L C 0.826 177.857 176.870 0.268 0.000 1.051 314 L CA -0.889 54.124 54.840 0.288 0.000 0.804 314 L CB 1.735 43.932 42.059 0.230 0.000 1.197 314 L HN 0.726 nan 8.230 nan 0.000 0.431 315 T N 3.930 118.596 114.554 0.186 0.000 2.786 315 T HA 0.630 4.980 4.350 -0.000 0.000 0.283 315 T C -0.712 173.979 174.700 -0.014 0.000 0.992 315 T CA -0.490 61.634 62.100 0.039 0.000 0.954 315 T CB 0.472 69.402 68.868 0.104 0.000 0.934 315 T HN 0.367 nan 8.240 nan 0.000 0.440 316 L N 4.384 125.556 121.223 -0.085 0.000 2.334 316 L HA 0.778 5.118 4.340 -0.000 0.000 0.273 316 L C -0.066 176.800 176.870 -0.007 0.000 1.013 316 L CA -0.841 53.986 54.840 -0.022 0.000 0.816 316 L CB 1.875 43.911 42.059 -0.038 0.000 1.278 316 L HN 0.848 nan 8.230 nan 0.000 0.431 317 E N 2.185 122.491 120.200 0.177 0.000 2.412 317 E HA 0.463 4.813 4.350 -0.000 0.000 0.279 317 E C -1.456 175.305 176.600 0.268 0.000 0.984 317 E CA -0.859 55.681 56.400 0.234 0.000 0.788 317 E CB 1.994 31.763 29.700 0.115 0.000 1.277 317 E HN 0.433 nan 8.360 nan 0.000 0.455 318 I N 2.319 123.041 120.570 0.253 0.000 2.287 318 I HA 0.164 4.334 4.170 -0.000 0.000 0.290 318 I C 0.372 176.689 176.117 0.333 0.000 1.069 318 I CA -0.590 60.820 61.300 0.184 0.000 1.237 318 I CB 1.201 39.209 38.000 0.013 0.000 1.418 318 I HN 0.494 nan 8.210 nan 0.000 0.481 319 S N 4.153 120.006 115.700 0.255 0.000 2.563 319 S HA 0.013 4.482 4.470 -0.000 0.000 0.284 319 S C 1.246 176.013 174.600 0.278 0.000 1.331 319 S CA -0.007 58.320 58.200 0.213 0.000 1.047 319 S CB 0.618 63.888 63.200 0.116 0.000 0.859 319 S HN 0.658 nan 8.310 nan 0.000 0.514 320 E N 1.721 121.895 120.200 -0.043 0.000 2.358 320 E HA -0.069 4.281 4.350 -0.000 0.000 0.195 320 E C 1.861 178.355 176.600 -0.177 0.000 1.010 320 E CA 0.949 57.059 56.400 -0.484 0.000 0.856 320 E CB -0.006 29.300 29.700 -0.656 0.000 0.795 320 E HN 0.804 nan 8.360 nan 0.000 0.504 321 S N 0.681 116.350 115.700 -0.052 0.000 2.561 321 S HA -0.089 4.381 4.470 -0.000 0.000 0.225 321 S C 0.799 175.413 174.600 0.023 0.000 0.977 321 S CA 0.006 58.191 58.200 -0.025 0.000 0.926 321 S CB 0.016 63.208 63.200 -0.014 0.000 0.769 321 S HN 0.056 nan 8.310 nan 0.000 0.533 322 D N 3.631 124.088 120.400 0.095 0.000 2.401 322 D HA 0.115 4.755 4.640 -0.000 0.000 0.254 322 D C -1.378 174.976 176.300 0.090 0.000 1.192 322 D CA -1.758 52.322 54.000 0.133 0.000 0.885 322 D CB 1.440 42.368 40.800 0.215 0.000 1.147 322 D HN 0.104 nan 8.370 nan 0.000 0.478 323 P HA -0.107 nan 4.420 nan 0.000 0.229 323 P C 0.493 177.517 177.300 -0.459 0.000 1.150 323 P CA 0.809 63.751 63.100 -0.263 0.000 0.765 323 P CB -0.059 31.407 31.700 -0.389 0.000 0.783 324 F N -3.268 116.717 119.950 0.059 0.000 2.683 324 F HA 0.259 4.786 4.527 -0.000 0.000 0.306 324 F C 1.840 177.667 175.800 0.045 0.000 1.102 324 F CA -0.786 57.234 58.000 0.033 0.000 1.244 324 F CB -0.545 38.442 39.000 -0.022 0.000 1.029 324 F HN -0.256 nan 8.300 nan 0.000 0.545 325 F N 1.959 121.963 119.950 0.089 0.000 2.063 325 F HA -0.374 4.153 4.527 -0.000 0.000 0.297 325 F C 2.117 177.951 175.800 0.057 0.000 1.099 325 F CA 2.258 60.294 58.000 0.059 0.000 1.220 325 F CB -0.205 38.811 39.000 0.027 0.000 0.972 325 F HN 0.003 nan 8.300 nan 0.000 0.487 326 D N 0.059 120.549 120.400 0.150 0.000 2.104 326 D HA -0.206 4.434 4.640 -0.000 0.000 0.194 326 D C 1.901 178.171 176.300 -0.049 0.000 0.994 326 D CA 1.793 55.824 54.000 0.051 0.000 0.830 326 D CB -0.614 40.274 40.800 0.147 0.000 0.959 326 D HN 0.432 nan 8.370 nan 0.000 0.452 327 D N 0.850 121.262 120.400 0.021 0.000 2.117 327 D HA -0.080 4.560 4.640 -0.000 0.000 0.198 327 D C 2.065 178.334 176.300 -0.051 0.000 0.982 327 D CA 0.712 54.722 54.000 0.017 0.000 0.828 327 D CB 0.011 40.861 40.800 0.085 0.000 0.967 327 D HN 0.237 nan 8.370 nan 0.000 0.464 328 K N 0.361 120.710 120.400 -0.086 0.000 2.026 328 K HA -0.142 4.178 4.320 -0.000 0.000 0.208 328 K C 2.128 178.601 176.600 -0.212 0.000 1.048 328 K CA 0.505 56.703 56.287 -0.148 0.000 0.929 328 K CB -0.258 32.151 32.500 -0.152 0.000 0.713 328 K HN 0.031 nan 8.250 nan 0.000 0.439 329 L N 1.924 122.924 121.223 -0.372 0.000 2.083 329 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 329 L C 1.699 178.472 176.870 -0.162 0.000 1.083 329 L CA 1.920 56.544 54.840 -0.361 0.000 0.752 329 L CB -0.559 41.116 42.059 -0.640 0.000 0.899 329 L HN 0.140 nan 8.230 nan 0.000 0.433 330 D N -1.488 118.839 120.400 -0.121 0.000 2.097 330 D HA -0.182 4.458 4.640 -0.000 0.000 0.195 330 D C 2.138 178.425 176.300 -0.022 0.000 0.989 330 D CA 1.474 55.445 54.000 -0.048 0.000 0.827 330 D CB 0.090 40.878 40.800 -0.021 0.000 0.966 330 D HN 0.200 nan 8.370 nan 0.000 0.456 331 V N 0.722 120.629 119.914 -0.012 0.000 2.295 331 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 331 V C 2.494 178.625 176.094 0.062 0.000 1.049 331 V CA 1.843 64.173 62.300 0.050 0.000 1.024 331 V CB -0.944 30.921 31.823 0.070 0.000 0.648 331 V HN 0.347 nan 8.190 nan 0.000 0.447 332 A N -0.116 122.726 122.820 0.038 0.000 1.851 332 A HA -0.279 4.041 4.320 -0.000 0.000 0.216 332 A C 2.161 179.770 177.584 0.041 0.000 1.195 332 A CA 2.119 54.205 52.037 0.081 0.000 0.622 332 A CB -0.614 18.415 19.000 0.047 0.000 0.831 332 A HN 0.645 nan 8.150 nan 0.000 0.444 333 E N 0.054 120.261 120.200 0.012 0.000 2.118 333 E HA -0.127 4.223 4.350 -0.000 0.000 0.195 333 E C 2.107 178.666 176.600 -0.069 0.000 0.992 333 E CA 1.302 57.691 56.400 -0.018 0.000 0.804 333 E CB -0.272 29.421 29.700 -0.012 0.000 0.741 333 E HN 0.549 nan 8.360 nan 0.000 0.458 334 S N 0.968 116.630 115.700 -0.063 0.000 2.500 334 S HA -0.046 4.424 4.470 -0.000 0.000 0.239 334 S C 1.030 175.537 174.600 -0.155 0.000 0.989 334 S CA 0.588 58.743 58.200 -0.076 0.000 0.951 334 S CB -0.048 63.134 63.200 -0.031 0.000 0.759 334 S HN 0.258 nan 8.310 nan 0.000 0.523 335 N N -0.082 118.465 118.700 -0.255 0.000 2.365 335 N HA 0.223 4.963 4.740 -0.000 0.000 0.257 335 N C 0.757 175.980 175.510 -0.479 0.000 1.287 335 N CA 0.521 53.280 53.050 -0.484 0.000 0.882 335 N CB 1.277 39.123 38.487 -1.069 0.000 1.250 335 N HN 0.414 nan 8.380 nan 0.000 0.507 336 G N 0.768 109.353 108.800 -0.359 0.000 2.143 336 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.249 336 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.249 336 G C -0.282 174.212 174.900 -0.676 0.000 0.981 336 G CA -0.078 44.722 45.100 -0.501 0.000 0.665 336 G HN 0.281 nan 8.290 nan 0.000 0.528 337 F N 0.590 120.494 119.950 -0.076 0.000 2.532 337 F HA 0.790 5.317 4.527 -0.000 0.000 0.321 337 F C 0.630 176.483 175.800 0.089 0.000 1.089 337 F CA -0.348 57.691 58.000 0.065 0.000 0.926 337 F CB 1.918 41.107 39.000 0.316 0.000 1.168 337 F HN 0.261 nan 8.300 nan 0.000 0.459 338 A N 1.468 124.446 122.820 0.263 0.000 2.257 338 A HA 0.272 4.592 4.320 -0.000 0.000 0.290 338 A C 1.287 179.012 177.584 0.235 0.000 1.201 338 A CA -0.337 51.803 52.037 0.172 0.000 0.863 338 A CB 0.498 19.552 19.000 0.090 0.000 1.256 338 A HN 0.766 nan 8.150 nan 0.000 0.506 339 Q N -0.665 119.233 119.800 0.163 0.000 2.181 339 Q HA -0.081 4.259 4.340 -0.000 0.000 0.205 339 Q C -0.265 175.857 176.000 0.204 0.000 0.980 339 Q CA 1.660 57.575 55.803 0.186 0.000 0.862 339 Q CB -0.135 28.727 28.738 0.208 0.000 0.905 339 Q HN 0.706 nan 8.270 nan 0.000 0.429 340 T N 0.143 114.760 114.554 0.106 0.000 2.861 340 T HA 0.717 5.067 4.350 -0.000 0.000 0.287 340 T C -1.394 173.190 174.700 -0.193 0.000 1.003 340 T CA -0.263 61.808 62.100 -0.048 0.000 0.977 340 T CB 1.741 70.549 68.868 -0.100 0.000 0.996 340 T HN 0.201 nan 8.240 nan 0.000 0.448 341 A N 2.757 125.320 122.820 -0.429 0.000 2.427 341 A HA 0.749 5.069 4.320 -0.000 0.000 0.298 341 A C -1.794 175.346 177.584 -0.741 0.000 1.036 341 A CA -0.710 50.999 52.037 -0.547 0.000 0.701 341 A CB 0.933 19.573 19.000 -0.600 0.000 1.250 341 A HN 0.813 nan 8.150 nan 0.000 0.412 342 Y N 0.709 120.801 120.300 -0.347 0.000 2.330 342 Y HA 0.602 5.152 4.550 -0.000 0.000 0.336 342 Y C -0.621 175.046 175.900 -0.389 0.000 1.036 342 Y CA -0.161 57.795 58.100 -0.240 0.000 1.125 342 Y CB 1.504 39.891 38.460 -0.122 0.000 1.194 342 Y HN 0.553 nan 8.280 nan 0.000 0.469 343 F N 2.545 122.591 119.950 0.159 0.000 2.427 343 F HA 0.307 4.834 4.527 -0.000 0.000 0.348 343 F C -0.407 175.497 175.800 0.174 0.000 1.125 343 F CA -1.160 56.930 58.000 0.150 0.000 0.989 343 F CB 1.126 40.184 39.000 0.096 0.000 1.165 343 F HN 0.416 nan 8.300 nan 0.000 0.442 344 D N 4.884 125.488 120.400 0.341 0.000 2.277 344 D HA 0.360 5.000 4.640 -0.000 0.000 0.249 344 D C -0.081 176.433 176.300 0.357 0.000 1.134 344 D CA 0.157 54.334 54.000 0.295 0.000 0.863 344 D CB 1.741 42.745 40.800 0.340 0.000 1.143 344 D HN 0.350 nan 8.370 nan 0.000 0.458 345 I N 2.880 123.604 120.570 0.256 0.000 2.355 345 I HA 0.241 4.411 4.170 -0.000 0.000 0.288 345 I C -0.337 175.898 176.117 0.196 0.000 0.999 345 I CA -0.692 60.771 61.300 0.271 0.000 1.163 345 I CB 0.638 38.773 38.000 0.226 0.000 1.316 345 I HN 0.046 nan 8.210 nan 0.000 0.454 346 F N 5.094 125.143 119.950 0.166 0.000 2.399 346 F HA 0.302 4.829 4.527 -0.000 0.000 0.334 346 F C 0.252 176.168 175.800 0.192 0.000 1.097 346 F CA -0.517 57.591 58.000 0.180 0.000 1.076 346 F CB 0.797 39.880 39.000 0.138 0.000 1.162 346 F HN 0.293 nan 8.300 nan 0.000 0.495 347 Y N 4.304 124.756 120.300 0.255 0.000 2.717 347 Y HA -0.026 4.524 4.550 -0.000 0.000 0.330 347 Y C 0.990 176.991 175.900 0.169 0.000 1.217 347 Y CA 0.282 58.493 58.100 0.186 0.000 1.506 347 Y CB 0.057 38.630 38.460 0.189 0.000 1.268 347 Y HN 0.707 nan 8.280 nan 0.000 0.561 348 N N 2.299 120.735 118.700 -0.440 0.000 2.800 348 N HA -0.260 4.480 4.740 -0.000 0.000 0.250 348 N C -0.636 174.837 175.510 -0.061 0.000 1.078 348 N CA 1.119 54.002 53.050 -0.279 0.000 0.804 348 N CB -0.787 37.599 38.487 -0.168 0.000 1.135 348 N HN 0.657 nan 8.380 nan 0.000 0.565 349 R N 0.173 120.682 120.500 0.016 0.000 2.787 349 R HA 0.460 4.799 4.340 -0.000 0.000 0.271 349 R C 0.575 176.896 176.300 0.035 0.000 0.993 349 R CA -0.350 55.780 56.100 0.050 0.000 0.993 349 R CB 1.083 31.453 30.300 0.118 0.000 1.155 349 R HN 0.167 nan 8.270 nan 0.000 0.486 350 T N -0.648 113.922 114.554 0.027 0.000 2.868 350 T HA 0.279 4.629 4.350 -0.000 0.000 0.292 350 T C 0.884 175.614 174.700 0.051 0.000 1.028 350 T CA -0.757 61.353 62.100 0.017 0.000 1.059 350 T CB 0.541 69.412 68.868 0.005 0.000 0.991 350 T HN 0.269 nan 8.240 nan 0.000 0.531 351 L N 1.929 123.172 121.223 0.033 0.000 2.506 351 L HA 0.201 4.541 4.340 -0.000 0.000 0.281 351 L C -1.828 175.095 176.870 0.088 0.000 1.228 351 L CA -1.594 53.282 54.840 0.060 0.000 0.850 351 L CB -0.388 41.678 42.059 0.012 0.000 1.110 351 L HN 0.526 nan 8.230 nan 0.000 0.496 352 P HA 0.123 nan 4.420 nan 0.000 0.268 352 P C -2.450 174.959 177.300 0.182 0.000 1.205 352 P CA -0.830 62.399 63.100 0.216 0.000 0.771 352 P CB 0.017 31.947 31.700 0.384 0.000 0.858 353 P HA 0.186 nan 4.420 nan 0.000 0.271 353 P C 0.938 178.458 177.300 0.366 0.000 1.216 353 P CA 0.598 63.836 63.100 0.230 0.000 0.776 353 P CB 0.476 32.316 31.700 0.235 0.000 0.881 354 G N 1.537 110.511 108.800 0.290 0.000 2.279 354 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.223 354 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.223 354 G C 0.703 175.544 174.900 -0.098 0.000 1.015 354 G CA 0.305 45.618 45.100 0.355 0.000 0.621 354 G HN 0.563 nan 8.290 nan 0.000 0.506 355 L N 1.263 122.224 121.223 -0.437 0.000 1.989 355 L HA 0.231 4.571 4.340 -0.000 0.000 0.211 355 L C 2.739 179.359 176.870 -0.417 0.000 1.071 355 L CA 2.785 57.019 54.840 -1.010 0.000 0.749 355 L CB -0.727 40.865 42.059 -0.779 0.000 0.890 355 L HN 0.434 nan 8.230 nan 0.000 0.431 356 L N 0.104 121.199 121.223 -0.212 0.000 1.994 356 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 356 L C -0.131 176.630 176.870 -0.182 0.000 1.071 356 L CA 1.692 56.456 54.840 -0.126 0.000 0.745 356 L CB -2.072 39.930 42.059 -0.095 0.000 0.892 356 L HN 0.293 nan 8.230 nan 0.000 0.431 357 P HA -0.268 nan 4.420 nan 0.000 0.215 357 P C 1.451 178.484 177.300 -0.445 0.000 1.153 357 P CA 1.753 64.552 63.100 -0.501 0.000 0.853 357 P CB -0.146 31.020 31.700 -0.891 0.000 0.788 358 Y N 0.393 120.457 120.300 -0.393 0.000 2.242 358 Y HA -0.133 4.416 4.550 -0.000 0.000 0.291 358 Y C 2.605 178.403 175.900 -0.170 0.000 1.137 358 Y CA 1.099 59.072 58.100 -0.211 0.000 1.181 358 Y CB -0.769 37.604 38.460 -0.146 0.000 0.989 358 Y HN -0.248 nan 8.280 nan 0.000 0.527 359 L N -0.297 120.944 121.223 0.029 0.000 2.012 359 L HA -0.283 4.057 4.340 -0.000 0.000 0.210 359 L C 2.499 179.332 176.870 -0.061 0.000 1.073 359 L CA 1.659 56.500 54.840 0.002 0.000 0.748 359 L CB -0.389 41.655 42.059 -0.025 0.000 0.891 359 L HN 0.181 nan 8.230 nan 0.000 0.431 360 R N -0.780 119.647 120.500 -0.120 0.000 2.120 360 R HA -0.188 4.152 4.340 -0.000 0.000 0.234 360 R C 2.095 178.277 176.300 -0.197 0.000 1.123 360 R CA 1.067 57.075 56.100 -0.153 0.000 0.975 360 R CB -0.410 29.782 30.300 -0.179 0.000 0.866 360 R HN 0.192 nan 8.270 nan 0.000 0.446 361 L N 0.507 121.584 121.223 -0.244 0.000 2.027 361 L HA -0.119 4.221 4.340 -0.000 0.000 0.206 361 L C 2.023 178.766 176.870 -0.212 0.000 1.074 361 L CA 1.570 56.248 54.840 -0.270 0.000 0.745 361 L CB -0.469 41.380 42.059 -0.350 0.000 0.898 361 L HN -0.090 nan 8.230 nan 0.000 0.433 362 V N 0.204 120.020 119.914 -0.163 0.000 2.255 362 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 362 V C 2.665 178.726 176.094 -0.056 0.000 1.051 362 V CA 1.836 64.096 62.300 -0.068 0.000 1.018 362 V CB -1.079 30.766 31.823 0.035 0.000 0.641 362 V HN 0.615 nan 8.190 nan 0.000 0.445 363 A N -0.998 121.779 122.820 -0.071 0.000 2.206 363 A HA -0.039 4.281 4.320 -0.000 0.000 0.211 363 A C 1.934 179.452 177.584 -0.110 0.000 1.158 363 A CA 0.935 52.929 52.037 -0.071 0.000 0.761 363 A CB -0.450 18.508 19.000 -0.069 0.000 0.801 363 A HN 0.427 nan 8.150 nan 0.000 0.473 364 L N -0.183 120.944 121.223 -0.160 0.000 2.107 364 L HA -0.165 4.175 4.340 -0.000 0.000 0.242 364 L C 1.371 178.101 176.870 -0.233 0.000 1.115 364 L CA 2.512 57.209 54.840 -0.239 0.000 0.842 364 L CB -1.189 40.681 42.059 -0.315 0.000 0.941 364 L HN 1.195 nan 8.230 nan 0.000 0.448 365 G N -4.474 104.208 108.800 -0.198 0.000 2.733 365 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.686 365 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.686 365 G C 0.667 175.435 174.900 -0.219 0.000 1.373 365 G CA -0.084 44.941 45.100 -0.125 0.000 0.838 365 G HN 0.999 nan 8.290 nan 0.000 0.588 366 G N -0.482 108.307 108.800 -0.018 0.000 2.476 366 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.218 366 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.218 366 G C 1.945 176.814 174.900 -0.051 0.000 1.164 366 G CA 2.436 47.552 45.100 0.027 0.000 0.768 366 G HN 1.468 nan 8.290 nan 0.000 0.560 367 T N 0.843 115.371 114.554 -0.044 0.000 2.737 367 T HA -0.093 4.257 4.350 -0.000 0.000 0.269 367 T C 1.534 176.225 174.700 -0.015 0.000 1.040 367 T CA 1.618 63.710 62.100 -0.014 0.000 1.142 367 T CB -0.170 68.684 68.868 -0.023 0.000 0.861 367 T HN 0.332 nan 8.240 nan 0.000 0.456 368 D N 0.304 120.585 120.400 -0.198 0.000 2.398 368 D HA 0.336 4.976 4.640 -0.000 0.000 0.210 368 D C 1.845 177.694 176.300 -0.752 0.000 1.094 368 D CA 0.136 53.864 54.000 -0.452 0.000 0.839 368 D CB 0.013 40.521 40.800 -0.485 0.000 0.963 368 D HN 0.339 nan 8.370 nan 0.000 0.506 369 A N 1.183 123.673 122.820 -0.550 0.000 2.194 369 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 369 A C 1.770 179.081 177.584 -0.455 0.000 1.162 369 A CA 0.761 52.383 52.037 -0.693 0.000 0.674 369 A CB -1.197 17.258 19.000 -0.909 0.000 0.789 369 A HN 0.385 nan 8.150 nan 0.000 0.470 370 F N -1.123 118.663 119.950 -0.273 0.000 2.365 370 F HA 0.012 4.539 4.527 -0.000 0.000 0.300 370 F C 1.347 176.986 175.800 -0.267 0.000 1.090 370 F CA 0.848 58.739 58.000 -0.182 0.000 1.408 370 F CB -0.749 38.166 39.000 -0.143 0.000 1.060 370 F HN 0.097 nan 8.300 nan 0.000 0.534 371 L N 0.371 120.859 121.223 -1.224 0.000 2.376 371 L HA -0.027 4.313 4.340 -0.000 0.000 0.219 371 L C 1.892 178.491 176.870 -0.453 0.000 1.133 371 L CA 0.478 54.612 54.840 -1.176 0.000 0.816 371 L CB -0.421 40.832 42.059 -1.343 0.000 0.933 371 L HN 0.269 nan 8.230 nan 0.000 0.449 372 L N -0.745 120.288 121.223 -0.315 0.000 2.627 372 L HA 0.022 4.362 4.340 -0.000 0.000 0.233 372 L C 0.635 177.523 176.870 0.029 0.000 1.144 372 L CA -0.182 54.583 54.840 -0.125 0.000 0.892 372 L CB -0.230 41.740 42.059 -0.149 0.000 1.039 372 L HN 0.109 nan 8.230 nan 0.000 0.442 373 E N -0.443 119.828 120.200 0.118 0.000 2.366 373 E HA 0.083 4.433 4.350 -0.000 0.000 0.266 373 E C 1.203 177.922 176.600 0.197 0.000 1.051 373 E CA 0.085 56.598 56.400 0.189 0.000 0.884 373 E CB 1.303 31.164 29.700 0.268 0.000 1.006 373 E HN -0.058 nan 8.360 nan 0.000 0.417 374 S N 2.248 118.022 115.700 0.124 0.000 2.423 374 S HA -0.237 4.233 4.470 -0.000 0.000 0.238 374 S C 1.656 176.297 174.600 0.068 0.000 1.028 374 S CA 1.056 59.309 58.200 0.088 0.000 1.000 374 S CB -0.273 62.962 63.200 0.058 0.000 0.797 374 S HN 0.568 nan 8.310 nan 0.000 0.487 375 L N 0.733 121.982 121.223 0.043 0.000 2.043 375 L HA -0.043 4.297 4.340 -0.000 0.000 0.212 375 L C 1.267 178.006 176.870 -0.218 0.000 1.075 375 L CA 1.883 56.640 54.840 -0.138 0.000 0.752 375 L CB -0.615 41.272 42.059 -0.287 0.000 0.891 375 L HN 0.290 nan 8.230 nan 0.000 0.432 376 F N -1.453 118.546 119.950 0.081 0.000 2.664 376 F HA 0.269 4.796 4.527 -0.000 0.000 0.303 376 F C 1.869 177.724 175.800 0.092 0.000 1.092 376 F CA -0.319 57.744 58.000 0.106 0.000 1.305 376 F CB -0.355 38.701 39.000 0.093 0.000 1.054 376 F HN -0.132 nan 8.300 nan 0.000 0.565 377 R N 0.554 121.182 120.500 0.213 0.000 2.303 377 R HA -0.135 4.205 4.340 -0.000 0.000 0.225 377 R C 0.944 177.328 176.300 0.139 0.000 1.114 377 R CA 0.908 57.100 56.100 0.153 0.000 1.007 377 R CB -0.527 29.833 30.300 0.100 0.000 0.861 377 R HN 0.327 nan 8.270 nan 0.000 0.471 378 D N -1.024 119.460 120.400 0.140 0.000 2.379 378 D HA 0.027 4.667 4.640 -0.000 0.000 0.208 378 D C 0.707 177.091 176.300 0.139 0.000 1.065 378 D CA 0.806 54.874 54.000 0.114 0.000 0.848 378 D CB 0.830 41.675 40.800 0.074 0.000 0.949 378 D HN 0.313 nan 8.370 nan 0.000 0.509 379 T N -2.420 112.257 114.554 0.205 0.000 3.080 379 T HA 0.038 4.388 4.350 -0.000 0.000 0.280 379 T C 1.695 176.543 174.700 0.246 0.000 0.926 379 T CA -0.260 61.950 62.100 0.184 0.000 0.883 379 T CB 0.013 68.978 68.868 0.163 0.000 1.194 379 T HN -0.071 nan 8.240 nan 0.000 0.541 380 I N 1.220 121.984 120.570 0.323 0.000 2.145 380 I HA -0.111 4.059 4.170 -0.000 0.000 0.244 380 I C 2.026 178.258 176.117 0.193 0.000 1.075 380 I CA 1.582 63.034 61.300 0.254 0.000 1.332 380 I CB -0.413 37.688 38.000 0.168 0.000 1.033 380 I HN 0.524 nan 8.210 nan 0.000 0.410 381 W N 1.186 122.521 121.300 0.059 0.000 2.363 381 W HA -0.125 4.535 4.660 -0.000 0.000 0.296 381 W C 2.196 178.738 176.519 0.038 0.000 1.212 381 W CA 1.516 58.890 57.345 0.047 0.000 1.260 381 W CB -0.637 28.865 29.460 0.070 0.000 1.131 381 W HN 0.342 nan 8.180 nan 0.000 0.530 382 G N -0.766 108.102 108.800 0.114 0.000 2.422 382 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.218 382 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.218 382 G C 1.294 176.135 174.900 -0.098 0.000 1.146 382 G CA 0.947 46.036 45.100 -0.018 0.000 0.769 382 G HN 0.285 nan 8.290 nan 0.000 0.547 383 H N 0.329 119.405 119.070 0.010 0.000 2.357 383 H HA 0.098 4.654 4.556 -0.000 0.000 0.301 383 H C 2.768 178.023 175.328 -0.121 0.000 1.082 383 H CA 0.840 56.883 56.048 -0.008 0.000 1.342 383 H CB -0.312 29.448 29.762 -0.003 0.000 1.389 383 H HN 0.243 nan 8.280 nan 0.000 0.511 384 L N 0.505 121.656 121.223 -0.120 0.000 2.079 384 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 384 L C 2.506 179.175 176.870 -0.335 0.000 1.081 384 L CA 1.250 55.899 54.840 -0.319 0.000 0.752 384 L CB -0.292 41.402 42.059 -0.608 0.000 0.896 384 L HN 0.268 nan 8.230 nan 0.000 0.433 385 E N -0.118 119.879 120.200 -0.339 0.000 2.072 385 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 385 E C 2.203 178.736 176.600 -0.112 0.000 0.985 385 E CA 0.830 57.088 56.400 -0.236 0.000 0.801 385 E CB 0.112 29.721 29.700 -0.152 0.000 0.750 385 E HN 0.382 nan 8.360 nan 0.000 0.452 386 L N -0.321 120.868 121.223 -0.058 0.000 1.960 386 L HA -0.015 4.325 4.340 -0.000 0.000 0.209 386 L C 0.675 177.542 176.870 -0.006 0.000 1.090 386 L CA 0.831 55.662 54.840 -0.016 0.000 0.759 386 L CB -0.199 41.880 42.059 0.034 0.000 0.892 386 L HN 0.104 nan 8.230 nan 0.000 0.436 387 S N -3.874 111.859 115.700 0.055 0.000 2.714 387 S HA 0.225 4.695 4.470 -0.000 0.000 0.284 387 S C -0.272 174.439 174.600 0.184 0.000 1.019 387 S CA -0.792 57.476 58.200 0.113 0.000 0.856 387 S CB 1.171 64.470 63.200 0.165 0.000 1.075 387 S HN -0.143 nan 8.310 nan 0.000 0.455 388 V N 0.927 120.907 119.914 0.111 0.000 2.391 388 V HA 0.457 4.577 4.120 -0.000 0.000 0.237 388 V C 1.055 177.139 176.094 -0.016 0.000 1.046 388 V CA 1.485 63.782 62.300 -0.006 0.000 1.053 388 V CB -0.332 31.384 31.823 -0.178 0.000 0.704 388 V HN 1.447 nan 8.190 nan 0.000 0.475 389 S N -1.760 113.735 115.700 -0.342 0.000 2.578 389 S HA 0.381 4.851 4.470 -0.000 0.000 0.272 389 S C 0.169 173.901 174.600 -1.447 0.000 1.145 389 S CA -0.364 57.302 58.200 -0.891 0.000 0.835 389 S CB 1.902 64.879 63.200 -0.372 0.000 1.104 389 S HN 0.196 nan 8.310 nan 0.000 0.458 390 R N 0.473 119.990 120.500 -1.640 0.000 2.103 390 R HA -0.159 4.181 4.340 -0.000 0.000 0.242 390 R C 0.908 177.000 176.300 -0.348 0.000 1.142 390 R CA 2.417 58.054 56.100 -0.771 0.000 0.960 390 R CB -0.564 29.606 30.300 -0.217 0.000 0.858 390 R HN 0.748 nan 8.270 nan 0.000 0.439 391 D N -0.181 120.044 120.400 -0.292 0.000 2.097 391 D HA -0.184 4.455 4.640 -0.000 0.000 0.197 391 D C 1.568 177.772 176.300 -0.159 0.000 0.984 391 D CA 0.935 54.835 54.000 -0.167 0.000 0.826 391 D CB -0.583 40.139 40.800 -0.130 0.000 0.973 391 D HN 0.332 nan 8.370 nan 0.000 0.460 392 N N 0.950 119.524 118.700 -0.211 0.000 2.043 392 N HA -0.219 4.521 4.740 -0.000 0.000 0.193 392 N C 1.699 177.142 175.510 -0.111 0.000 1.037 392 N CA 1.336 54.287 53.050 -0.165 0.000 0.851 392 N CB 0.068 38.437 38.487 -0.197 0.000 1.027 392 N HN 0.009 nan 8.380 nan 0.000 0.422 393 E N 1.123 121.255 120.200 -0.115 0.000 2.038 393 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 393 E C 1.858 178.470 176.600 0.019 0.000 1.000 393 E CA 1.459 57.860 56.400 0.001 0.000 0.803 393 E CB -0.348 29.417 29.700 0.107 0.000 0.750 393 E HN 0.454 nan 8.360 nan 0.000 0.448 394 E N -0.202 119.993 120.200 -0.009 0.000 2.160 394 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 394 E C 2.141 178.739 176.600 -0.003 0.000 0.991 394 E CA 0.887 57.291 56.400 0.007 0.000 0.810 394 E CB -0.165 29.529 29.700 -0.011 0.000 0.742 394 E HN 0.349 nan 8.360 nan 0.000 0.466 395 L N 0.707 121.914 121.223 -0.027 0.000 1.988 395 L HA -0.185 4.155 4.340 -0.000 0.000 0.207 395 L C 2.635 179.490 176.870 -0.025 0.000 1.071 395 L CA 1.444 56.266 54.840 -0.030 0.000 0.744 395 L CB -0.447 41.585 42.059 -0.045 0.000 0.893 395 L HN 0.317 nan 8.230 nan 0.000 0.433 396 L N -1.629 119.581 121.223 -0.022 0.000 2.079 396 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 396 L C 2.504 179.357 176.870 -0.029 0.000 1.081 396 L CA 1.734 56.558 54.840 -0.025 0.000 0.752 396 L CB -1.829 40.228 42.059 -0.003 0.000 0.896 396 L HN 0.185 nan 8.230 nan 0.000 0.433 397 C N 0.044 119.378 119.300 0.056 0.000 2.432 397 C HA -0.159 4.301 4.460 -0.000 0.000 0.277 397 C C 2.960 177.949 174.990 -0.002 0.000 1.249 397 C CA 1.414 60.506 59.018 0.124 0.000 1.725 397 C CB -0.889 26.964 27.740 0.188 0.000 2.028 397 C HN 0.724 nan 8.230 nan 0.000 0.477 398 K N 0.928 121.325 120.400 -0.005 0.000 2.057 398 K HA -0.129 4.191 4.320 -0.000 0.000 0.207 398 K C 2.111 178.675 176.600 -0.061 0.000 1.049 398 K CA 1.606 57.879 56.287 -0.024 0.000 0.931 398 K CB -0.337 32.155 32.500 -0.014 0.000 0.714 398 K HN 0.390 nan 8.250 nan 0.000 0.440 399 A N 0.647 123.423 122.820 -0.074 0.000 1.892 399 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 399 A C 2.263 179.763 177.584 -0.141 0.000 1.188 399 A CA 1.983 53.968 52.037 -0.087 0.000 0.631 399 A CB -0.823 18.132 19.000 -0.075 0.000 0.822 399 A HN 0.192 nan 8.150 nan 0.000 0.447 400 V N -0.000 119.764 119.914 -0.250 0.000 2.270 400 V HA -0.261 3.859 4.120 -0.000 0.000 0.245 400 V C 2.646 178.574 176.094 -0.277 0.000 1.043 400 V CA 2.181 64.248 62.300 -0.387 0.000 1.014 400 V CB -0.831 30.443 31.823 -0.916 0.000 0.645 400 V HN 0.522 nan 8.190 nan 0.000 0.447 401 R N -0.203 120.172 120.500 -0.209 0.000 2.091 401 R HA -0.170 4.170 4.340 -0.000 0.000 0.238 401 R C 2.302 178.558 176.300 -0.072 0.000 1.136 401 R CA 1.482 57.523 56.100 -0.097 0.000 0.959 401 R CB -0.375 29.908 30.300 -0.027 0.000 0.856 401 R HN 0.544 nan 8.270 nan 0.000 0.437 402 E N 0.613 120.772 120.200 -0.068 0.000 2.047 402 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 402 E C 2.043 178.614 176.600 -0.048 0.000 0.987 402 E CA 1.270 57.643 56.400 -0.046 0.000 0.799 402 E CB -0.263 29.414 29.700 -0.038 0.000 0.752 402 E HN 0.320 nan 8.360 nan 0.000 0.449 403 A N 0.923 123.702 122.820 -0.068 0.000 1.908 403 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 403 A C 2.641 180.186 177.584 -0.066 0.000 1.181 403 A CA 1.527 53.529 52.037 -0.058 0.000 0.627 403 A CB -0.930 18.029 19.000 -0.069 0.000 0.818 403 A HN 0.338 nan 8.150 nan 0.000 0.445 404 C N -0.762 118.481 119.300 -0.095 0.000 2.453 404 C HA -0.058 4.402 4.460 -0.000 0.000 0.277 404 C C 2.730 177.688 174.990 -0.054 0.000 1.262 404 C CA 1.276 60.232 59.018 -0.102 0.000 1.718 404 C CB -1.030 26.647 27.740 -0.105 0.000 2.031 404 C HN 0.629 nan 8.230 nan 0.000 0.480 405 K N 0.538 120.916 120.400 -0.036 0.000 2.026 405 K HA -0.150 4.170 4.320 -0.000 0.000 0.208 405 K C 2.368 178.970 176.600 0.004 0.000 1.048 405 K CA 1.594 57.874 56.287 -0.011 0.000 0.929 405 K CB -0.397 32.097 32.500 -0.010 0.000 0.713 405 K HN 0.346 nan 8.250 nan 0.000 0.439 406 S N 0.461 116.159 115.700 -0.004 0.000 2.359 406 S HA -0.185 4.285 4.470 -0.000 0.000 0.224 406 S C 2.048 176.660 174.600 0.020 0.000 1.035 406 S CA 1.358 59.562 58.200 0.006 0.000 1.018 406 S CB -0.264 62.934 63.200 -0.002 0.000 0.876 406 S HN 0.411 nan 8.310 nan 0.000 0.448 407 A N 1.507 124.338 122.820 0.019 0.000 1.865 407 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 407 A C 2.171 179.843 177.584 0.147 0.000 1.191 407 A CA 1.582 53.649 52.037 0.051 0.000 0.623 407 A CB -1.025 17.989 19.000 0.023 0.000 0.826 407 A HN 0.556 nan 8.150 nan 0.000 0.444 408 L N -0.787 120.521 121.223 0.141 0.000 2.137 408 L HA -0.280 4.060 4.340 -0.000 0.000 0.213 408 L C 2.916 179.934 176.870 0.247 0.000 1.085 408 L CA 1.143 56.106 54.840 0.206 0.000 0.760 408 L CB -0.462 41.627 42.059 0.051 0.000 0.893 408 L HN 0.486 nan 8.230 nan 0.000 0.434 409 A N -0.225 122.674 122.820 0.131 0.000 2.119 409 A HA 0.007 4.326 4.320 -0.000 0.000 0.217 409 A C 2.247 179.885 177.584 0.090 0.000 1.153 409 A CA 1.115 53.211 52.037 0.098 0.000 0.692 409 A CB -0.733 18.298 19.000 0.051 0.000 0.799 409 A HN 0.443 nan 8.150 nan 0.000 0.458 410 G N -1.623 107.206 108.800 0.048 0.000 2.598 410 G HA2 0.145 4.104 3.960 -0.000 0.000 0.215 410 G HA3 0.145 4.104 3.960 -0.000 0.000 0.215 410 G C 0.370 175.204 174.900 -0.109 0.000 1.131 410 G CA 0.095 45.150 45.100 -0.074 0.000 0.785 410 G HN 0.470 nan 8.290 nan 0.000 0.539 411 Y N -0.064 120.271 120.300 0.059 0.000 2.307 411 Y HA 0.291 4.841 4.550 -0.000 0.000 0.324 411 Y C 1.695 177.651 175.900 0.094 0.000 1.238 411 Y CA -0.666 57.481 58.100 0.078 0.000 1.280 411 Y CB 0.890 39.358 38.460 0.013 0.000 1.248 411 Y HN 0.287 nan 8.280 nan 0.000 0.508 412 H N -1.127 118.043 119.070 0.167 0.000 2.586 412 H HA 0.219 4.775 4.556 -0.000 0.000 0.273 412 H C -0.557 174.821 175.328 0.084 0.000 0.997 412 H CA 0.438 56.544 56.048 0.097 0.000 1.177 412 H CB -0.111 29.690 29.762 0.065 0.000 1.471 412 H HN 0.552 nan 8.280 nan 0.000 0.538 413 T N -0.680 113.708 114.554 -0.277 0.000 2.906 413 T HA 0.423 4.773 4.350 -0.000 0.000 0.295 413 T C 0.158 174.783 174.700 -0.124 0.000 1.061 413 T CA -0.510 61.447 62.100 -0.239 0.000 1.000 413 T CB 2.467 71.119 68.868 -0.360 0.000 1.103 413 T HN 0.292 nan 8.240 nan 0.000 0.486 414 T N -0.486 114.013 114.554 -0.092 0.000 2.874 414 T HA 0.484 4.834 4.350 -0.000 0.000 0.281 414 T C 1.495 176.132 174.700 -0.105 0.000 0.994 414 T CA -1.030 61.022 62.100 -0.080 0.000 1.015 414 T CB 0.364 69.202 68.868 -0.049 0.000 1.028 414 T HN 0.578 nan 8.240 nan 0.000 0.523 415 I N 0.615 121.119 120.570 -0.109 0.000 2.361 415 I HA -0.137 4.033 4.170 -0.000 0.000 0.251 415 I C 2.430 178.499 176.117 -0.080 0.000 1.133 415 I CA 1.299 62.529 61.300 -0.116 0.000 1.413 415 I CB -0.341 37.590 38.000 -0.115 0.000 1.073 415 I HN 0.723 nan 8.210 nan 0.000 0.424 416 E N 0.738 120.903 120.200 -0.060 0.000 2.051 416 E HA -0.244 4.106 4.350 -0.000 0.000 0.192 416 E C 2.144 178.720 176.600 -0.040 0.000 0.991 416 E CA 1.178 57.553 56.400 -0.042 0.000 0.799 416 E CB -0.245 29.437 29.700 -0.030 0.000 0.748 416 E HN 0.494 nan 8.360 nan 0.000 0.449 417 Q N 0.473 120.245 119.800 -0.046 0.000 2.084 417 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 417 Q C 1.618 177.591 176.000 -0.045 0.000 0.978 417 Q CA 1.353 57.130 55.803 -0.042 0.000 0.844 417 Q CB -0.100 28.608 28.738 -0.050 0.000 0.898 417 Q HN 0.301 nan 8.270 nan 0.000 0.426 418 D N 0.583 120.945 120.400 -0.064 0.000 2.104 418 D HA -0.144 4.496 4.640 -0.000 0.000 0.194 418 D C 1.878 178.156 176.300 -0.037 0.000 0.994 418 D CA 1.160 55.125 54.000 -0.057 0.000 0.830 418 D CB -0.160 40.589 40.800 -0.084 0.000 0.959 418 D HN 0.202 nan 8.370 nan 0.000 0.452 419 R N 0.565 121.041 120.500 -0.040 0.000 2.152 419 R HA -0.076 4.264 4.340 -0.000 0.000 0.232 419 R C 2.188 178.479 176.300 -0.016 0.000 1.117 419 R CA 0.736 56.820 56.100 -0.026 0.000 0.981 419 R CB -0.069 30.213 30.300 -0.029 0.000 0.870 419 R HN 0.316 nan 8.270 nan 0.000 0.451 420 E N 0.890 121.080 120.200 -0.017 0.000 2.107 420 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 420 E C 1.916 178.512 176.600 -0.006 0.000 0.982 420 E CA 0.574 56.968 56.400 -0.010 0.000 0.809 420 E CB 0.122 29.816 29.700 -0.010 0.000 0.756 420 E HN 0.259 nan 8.360 nan 0.000 0.459 421 L N 0.880 122.099 121.223 -0.007 0.000 2.017 421 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 421 L C 2.470 179.342 176.870 0.003 0.000 1.073 421 L CA 1.277 56.116 54.840 -0.001 0.000 0.745 421 L CB -0.328 41.731 42.059 -0.001 0.000 0.894 421 L HN 0.027 nan 8.230 nan 0.000 0.432 422 K N -0.217 120.185 120.400 0.003 0.000 2.360 422 K HA -0.216 4.104 4.320 -0.000 0.000 0.201 422 K C 1.698 178.303 176.600 0.008 0.000 1.046 422 K CA 0.938 57.231 56.287 0.009 0.000 0.940 422 K CB -0.072 32.434 32.500 0.010 0.000 0.748 422 K HN 0.141 nan 8.250 nan 0.000 0.465 423 E N 0.463 120.665 120.200 0.003 0.000 2.502 423 E HA 0.015 4.365 4.350 -0.000 0.000 0.194 423 E C 0.524 177.126 176.600 0.003 0.000 1.062 423 E CA 0.107 56.508 56.400 0.003 0.000 0.867 423 E CB 0.304 30.004 29.700 0.000 0.000 0.888 423 E HN 0.337 nan 8.360 nan 0.000 0.510 424 G N -0.815 107.987 108.800 0.004 0.000 3.075 424 G HA2 0.255 4.215 3.960 -0.000 0.000 0.253 424 G HA3 0.255 4.215 3.960 -0.000 0.000 0.253 424 G C -0.699 174.203 174.900 0.005 0.000 1.353 424 G CA -0.804 44.298 45.100 0.003 0.000 1.051 424 G HN -0.024 nan 8.290 nan 0.000 0.553 425 N N 0.456 119.158 118.700 0.003 0.000 2.414 425 N HA 0.374 5.114 4.740 -0.000 0.000 0.256 425 N C -1.117 174.395 175.510 0.002 0.000 1.029 425 N CA -0.248 52.804 53.050 0.003 0.000 0.948 425 N CB 1.733 40.221 38.487 0.001 0.000 1.102 425 N HN 0.023 nan 8.380 nan 0.000 0.496 426 L N 1.716 122.942 121.223 0.005 0.000 2.329 426 L HA 0.273 4.612 4.340 -0.000 0.000 0.279 426 L C 0.516 177.384 176.870 -0.003 0.000 1.014 426 L CA -0.918 53.923 54.840 0.002 0.000 0.814 426 L CB 1.288 43.354 42.059 0.011 0.000 1.257 426 L HN 0.514 nan 8.230 nan 0.000 0.424 427 D N 0.922 121.311 120.400 -0.020 0.000 2.382 427 D HA 0.084 4.724 4.640 -0.000 0.000 0.240 427 D C 0.978 177.260 176.300 -0.030 0.000 1.146 427 D CA 0.198 54.180 54.000 -0.031 0.000 0.897 427 D CB 1.061 41.827 40.800 -0.057 0.000 1.197 427 D HN 0.535 nan 8.370 nan 0.000 0.432 428 S N 2.117 117.810 115.700 -0.013 0.000 2.427 428 S HA -0.353 4.117 4.470 -0.000 0.000 0.261 428 S C 1.816 176.424 174.600 0.013 0.000 1.091 428 S CA 1.855 60.069 58.200 0.023 0.000 1.251 428 S CB -0.437 62.786 63.200 0.038 0.000 1.160 428 S HN 0.595 nan 8.310 nan 0.000 0.436 429 R N 0.272 120.695 120.500 -0.130 0.000 2.081 429 R HA -0.016 4.324 4.340 -0.000 0.000 0.235 429 R C 2.439 178.538 176.300 -0.335 0.000 1.131 429 R CA 1.246 57.117 56.100 -0.382 0.000 0.960 429 R CB -0.554 29.110 30.300 -1.059 0.000 0.856 429 R HN 0.315 nan 8.270 nan 0.000 0.436 430 L N 0.892 121.977 121.223 -0.230 0.000 2.046 430 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 430 L C 2.247 179.125 176.870 0.015 0.000 1.077 430 L CA 1.923 56.702 54.840 -0.102 0.000 0.747 430 L CB -0.700 41.316 42.059 -0.073 0.000 0.896 430 L HN 0.127 nan 8.230 nan 0.000 0.432 431 A N -0.086 122.749 122.820 0.026 0.000 1.908 431 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 431 A C 2.287 179.945 177.584 0.124 0.000 1.181 431 A CA 2.300 54.377 52.037 0.067 0.000 0.627 431 A CB -0.954 18.084 19.000 0.063 0.000 0.818 431 A HN 0.537 nan 8.150 nan 0.000 0.445 432 I N -0.393 120.287 120.570 0.184 0.000 2.226 432 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 432 I C 2.970 179.259 176.117 0.288 0.000 1.100 432 I CA 1.071 62.533 61.300 0.270 0.000 1.374 432 I CB -0.360 37.897 38.000 0.428 0.000 1.057 432 I HN 0.367 nan 8.210 nan 0.000 0.413 433 A N 0.350 123.391 122.820 0.367 0.000 1.902 433 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 433 A C 2.422 180.119 177.584 0.188 0.000 1.181 433 A CA 1.632 53.875 52.037 0.343 0.000 0.623 433 A CB -0.858 18.371 19.000 0.382 0.000 0.818 433 A HN 0.242 nan 8.150 nan 0.000 0.443 434 V N -0.166 119.828 119.914 0.132 0.000 2.307 434 V HA -0.142 3.978 4.120 -0.000 0.000 0.245 434 V C 2.843 178.964 176.094 0.046 0.000 1.045 434 V CA 1.912 64.254 62.300 0.069 0.000 1.024 434 V CB -1.482 30.369 31.823 0.046 0.000 0.651 434 V HN 0.591 nan 8.190 nan 0.000 0.449 435 G N 0.187 109.035 108.800 0.080 0.000 2.446 435 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.217 435 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.217 435 G C 1.517 176.452 174.900 0.059 0.000 1.168 435 G CA 0.921 46.076 45.100 0.092 0.000 0.771 435 G HN 0.342 nan 8.290 nan 0.000 0.551 436 I N 2.108 122.727 120.570 0.082 0.000 2.127 436 I HA -0.190 3.980 4.170 -0.000 0.000 0.241 436 I C 3.050 179.151 176.117 -0.028 0.000 1.075 436 I CA 1.833 63.160 61.300 0.045 0.000 1.334 436 I CB -0.957 37.086 38.000 0.072 0.000 1.040 436 I HN 0.388 nan 8.210 nan 0.000 0.405 437 R N 1.171 121.683 120.500 0.020 0.000 2.081 437 R HA -0.200 4.140 4.340 -0.000 0.000 0.235 437 R C 1.988 178.150 176.300 -0.230 0.000 1.131 437 R CA 1.695 57.788 56.100 -0.012 0.000 0.960 437 R CB -0.871 29.487 30.300 0.096 0.000 0.856 437 R HN 0.448 nan 8.270 nan 0.000 0.436 438 E N 1.016 121.090 120.200 -0.210 0.000 2.038 438 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 438 E C 2.080 178.427 176.600 -0.422 0.000 1.000 438 E CA 1.642 57.879 56.400 -0.273 0.000 0.803 438 E CB -0.411 29.178 29.700 -0.186 0.000 0.750 438 E HN 0.515 nan 8.360 nan 0.000 0.448 439 G N 1.046 109.452 108.800 -0.656 0.000 2.491 439 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.218 439 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.218 439 G C 1.427 176.014 174.900 -0.522 0.000 1.180 439 G CA 1.131 45.477 45.100 -1.256 0.000 0.774 439 G HN 0.378 nan 8.290 nan 0.000 0.562 440 E N 0.252 120.294 120.200 -0.264 0.000 2.085 440 E HA -0.134 4.215 4.350 -0.000 0.000 0.194 440 E C 2.597 179.114 176.600 -0.138 0.000 0.994 440 E CA 1.034 57.425 56.400 -0.016 0.000 0.801 440 E CB -0.089 29.735 29.700 0.208 0.000 0.743 440 E HN 0.402 nan 8.360 nan 0.000 0.453 441 K N 0.058 120.250 120.400 -0.345 0.000 2.097 441 K HA -0.119 4.201 4.320 -0.000 0.000 0.206 441 K C 2.150 178.629 176.600 -0.200 0.000 1.049 441 K CA 1.184 57.253 56.287 -0.363 0.000 0.933 441 K CB -0.090 32.135 32.500 -0.458 0.000 0.717 441 K HN 0.174 nan 8.250 nan 0.000 0.442 442 M N 0.295 119.773 119.600 -0.203 0.000 2.099 442 M HA -0.158 4.322 4.480 -0.000 0.000 0.262 442 M C 2.255 178.607 176.300 0.087 0.000 1.067 442 M CA 1.344 56.580 55.300 -0.107 0.000 1.124 442 M CB -0.271 32.125 32.600 -0.341 0.000 1.353 442 M HN -0.082 nan 8.290 nan 0.000 0.410 443 V N 0.446 120.412 119.914 0.086 0.000 2.295 443 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 443 V C 2.361 178.484 176.094 0.049 0.000 1.049 443 V CA 1.362 63.773 62.300 0.184 0.000 1.024 443 V CB -0.697 31.233 31.823 0.178 0.000 0.648 443 V HN 0.339 nan 8.190 nan 0.000 0.447 444 L N -0.233 120.939 121.223 -0.084 0.000 2.042 444 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 444 L C 2.539 179.369 176.870 -0.067 0.000 1.076 444 L CA 1.887 56.622 54.840 -0.175 0.000 0.749 444 L CB -1.125 40.793 42.059 -0.235 0.000 0.893 444 L HN 0.404 nan 8.230 nan 0.000 0.432 445 Q N -1.503 118.281 119.800 -0.027 0.000 2.172 445 Q HA -0.239 4.101 4.340 -0.000 0.000 0.200 445 Q C 2.166 178.195 176.000 0.049 0.000 0.964 445 Q CA 1.280 57.087 55.803 0.007 0.000 0.855 445 Q CB -0.049 28.692 28.738 0.004 0.000 0.918 445 Q HN 0.585 nan 8.270 nan 0.000 0.444 446 Q N 0.784 120.638 119.800 0.089 0.000 2.084 446 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 446 Q C 1.943 177.987 176.000 0.073 0.000 0.978 446 Q CA 1.107 56.959 55.803 0.081 0.000 0.844 446 Q CB 0.002 28.795 28.738 0.092 0.000 0.898 446 Q HN 0.392 nan 8.270 nan 0.000 0.426 447 I N 0.721 121.343 120.570 0.088 0.000 2.179 447 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 447 I C 2.025 178.266 176.117 0.207 0.000 1.088 447 I CA 1.670 63.062 61.300 0.153 0.000 1.357 447 I CB -0.319 37.733 38.000 0.087 0.000 1.051 447 I HN 0.336 nan 8.210 nan 0.000 0.409 448 D N 0.675 121.134 120.400 0.097 0.000 2.178 448 D HA -0.140 4.500 4.640 -0.000 0.000 0.201 448 D C 2.210 178.577 176.300 0.112 0.000 0.980 448 D CA 1.381 55.437 54.000 0.093 0.000 0.842 448 D CB -0.079 40.737 40.800 0.027 0.000 0.948 448 D HN 0.294 nan 8.370 nan 0.000 0.472 449 G N 0.461 109.308 108.800 0.078 0.000 2.421 449 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 449 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 449 G C 1.703 176.626 174.900 0.038 0.000 1.171 449 G CA 0.682 45.811 45.100 0.049 0.000 0.775 449 G HN 0.334 nan 8.290 nan 0.000 0.543 450 I N -0.251 120.342 120.570 0.037 0.000 2.127 450 I HA -0.170 4.000 4.170 -0.000 0.000 0.241 450 I C 2.390 178.422 176.117 -0.141 0.000 1.075 450 I CA 1.161 62.417 61.300 -0.072 0.000 1.334 450 I CB -0.270 37.657 38.000 -0.122 0.000 1.040 450 I HN 0.084 nan 8.210 nan 0.000 0.405 451 F N 0.654 120.590 119.950 -0.024 0.000 2.502 451 F HA -0.117 4.410 4.527 -0.000 0.000 0.298 451 F C 2.446 178.236 175.800 -0.017 0.000 1.111 451 F CA 0.971 58.957 58.000 -0.022 0.000 1.445 451 F CB -0.380 38.604 39.000 -0.026 0.000 1.081 451 F HN 0.135 nan 8.300 nan 0.000 0.558 452 E N -0.131 120.141 120.200 0.121 0.000 2.072 452 E HA -0.190 4.160 4.350 -0.000 0.000 0.190 452 E C 2.185 178.801 176.600 0.026 0.000 0.982 452 E CA 0.807 57.247 56.400 0.067 0.000 0.803 452 E CB 0.054 29.782 29.700 0.048 0.000 0.755 452 E HN 0.241 nan 8.360 nan 0.000 0.453 453 Q N 0.916 120.713 119.800 -0.005 0.000 2.030 453 Q HA -0.179 4.161 4.340 -0.000 0.000 0.204 453 Q C 2.105 178.083 176.000 -0.037 0.000 0.986 453 Q CA 1.485 57.270 55.803 -0.030 0.000 0.843 453 Q CB -0.174 28.529 28.738 -0.057 0.000 0.904 453 Q HN 0.281 nan 8.270 nan 0.000 0.420 454 K N 0.608 120.968 120.400 -0.066 0.000 2.074 454 K HA -0.195 4.125 4.320 -0.000 0.000 0.209 454 K C 1.993 178.595 176.600 0.002 0.000 1.048 454 K CA 1.439 57.688 56.287 -0.063 0.000 0.926 454 K CB -0.109 32.316 32.500 -0.125 0.000 0.713 454 K HN 0.326 nan 8.250 nan 0.000 0.444 455 E N 0.719 120.939 120.200 0.033 0.000 2.110 455 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 455 E C 2.072 178.688 176.600 0.026 0.000 0.988 455 E CA 0.911 57.338 56.400 0.044 0.000 0.804 455 E CB -0.098 29.633 29.700 0.051 0.000 0.745 455 E HN 0.287 nan 8.360 nan 0.000 0.458 456 L N 0.633 121.863 121.223 0.012 0.000 2.072 456 L HA -0.135 4.205 4.340 -0.000 0.000 0.205 456 L C 1.629 178.500 176.870 0.001 0.000 1.079 456 L CA 1.102 55.946 54.840 0.005 0.000 0.752 456 L CB -0.255 41.803 42.059 -0.002 0.000 0.906 456 L HN 0.040 nan 8.230 nan 0.000 0.436 457 E N 0.274 120.468 120.200 -0.010 0.000 2.359 457 E HA -0.050 4.300 4.350 -0.000 0.000 0.187 457 E C 1.486 178.082 176.600 -0.007 0.000 1.081 457 E CA -0.241 56.147 56.400 -0.020 0.000 0.929 457 E CB 0.139 29.814 29.700 -0.042 0.000 1.086 457 E HN 0.199 nan 8.360 nan 0.000 0.462 458 L N 0.798 122.037 121.223 0.026 0.000 2.450 458 L HA -0.180 4.160 4.340 -0.000 0.000 0.225 458 L C 0.477 177.409 176.870 0.103 0.000 1.145 458 L CA 1.787 56.675 54.840 0.079 0.000 0.801 458 L CB 0.032 42.138 42.059 0.079 0.000 0.924 458 L HN 0.062 nan 8.230 nan 0.000 0.447 459 D N -3.321 117.101 120.400 0.037 0.000 2.500 459 D HA 0.031 4.671 4.640 -0.000 0.000 0.217 459 D C 1.732 178.002 176.300 -0.050 0.000 1.159 459 D CA 0.061 54.076 54.000 0.025 0.000 0.828 459 D CB 0.337 41.156 40.800 0.032 0.000 1.039 459 D HN 0.279 nan 8.370 nan 0.000 0.512 460 Q N 0.046 119.802 119.800 -0.074 0.000 2.269 460 Q HA 0.131 4.471 4.340 -0.000 0.000 0.201 460 Q C 0.347 176.246 176.000 -0.167 0.000 0.946 460 Q CA 0.437 56.182 55.803 -0.097 0.000 0.877 460 Q CB 0.608 29.300 28.738 -0.075 0.000 0.963 460 Q HN 0.303 nan 8.270 nan 0.000 0.472 461 L N 2.708 123.774 121.223 -0.262 0.000 2.456 461 L HA 0.021 4.361 4.340 -0.000 0.000 0.272 461 L C 0.330 176.852 176.870 -0.579 0.000 1.189 461 L CA -0.011 54.577 54.840 -0.420 0.000 0.846 461 L CB 0.409 42.137 42.059 -0.552 0.000 1.111 461 L HN 0.222 nan 8.230 nan 0.000 0.475 462 E N 3.471 123.428 120.200 -0.405 0.000 2.035 462 E HA 0.246 4.596 4.350 -0.000 0.000 0.271 462 E C -1.055 175.394 176.600 -0.252 0.000 0.953 462 E CA -0.614 55.607 56.400 -0.298 0.000 0.777 462 E CB 0.369 29.982 29.700 -0.144 0.000 1.104 462 E HN 0.367 nan 8.360 nan 0.000 0.408 463 Y N 1.215 121.516 120.300 0.002 0.000 2.279 463 Y HA -0.115 4.435 4.550 -0.000 0.000 0.350 463 Y C 1.673 177.595 175.900 0.037 0.000 1.288 463 Y CA -0.532 57.584 58.100 0.026 0.000 1.547 463 Y CB 0.104 38.581 38.460 0.029 0.000 1.381 463 Y HN 0.584 nan 8.280 nan 0.000 0.630 464 Y N 0.792 121.202 120.300 0.184 0.000 1.977 464 Y HA -0.422 4.128 4.550 -0.000 0.000 0.264 464 Y C 2.368 178.323 175.900 0.091 0.000 1.167 464 Y CA 2.338 60.487 58.100 0.081 0.000 1.102 464 Y CB -0.435 38.017 38.460 -0.013 0.000 0.948 464 Y HN 0.577 nan 8.280 nan 0.000 0.489 465 Q N 0.320 120.107 119.800 -0.021 0.000 2.029 465 Q HA -0.320 4.020 4.340 -0.000 0.000 0.209 465 Q C 2.305 178.221 176.000 -0.140 0.000 0.999 465 Q CA 2.267 58.011 55.803 -0.100 0.000 0.857 465 Q CB -0.911 27.867 28.738 0.067 0.000 0.926 465 Q HN 0.755 nan 8.270 nan 0.000 0.415 466 E N 0.488 120.664 120.200 -0.039 0.000 2.097 466 E HA -0.209 4.141 4.350 -0.000 0.000 0.196 466 E C 2.039 178.589 176.600 -0.085 0.000 1.000 466 E CA 0.992 57.367 56.400 -0.043 0.000 0.804 466 E CB 0.073 29.766 29.700 -0.011 0.000 0.740 466 E HN 0.255 nan 8.360 nan 0.000 0.454 467 R N -0.063 120.371 120.500 -0.110 0.000 2.120 467 R HA -0.124 4.216 4.340 -0.000 0.000 0.234 467 R C 2.590 178.807 176.300 -0.138 0.000 1.123 467 R CA 1.217 57.258 56.100 -0.099 0.000 0.975 467 R CB -0.299 29.971 30.300 -0.051 0.000 0.866 467 R HN 0.162 nan 8.270 nan 0.000 0.446 468 R N 1.135 121.473 120.500 -0.270 0.000 2.066 468 R HA -0.033 4.307 4.340 -0.000 0.000 0.232 468 R C 1.939 178.174 176.300 -0.108 0.000 1.131 468 R CA 1.081 57.045 56.100 -0.226 0.000 0.955 468 R CB -0.101 29.986 30.300 -0.355 0.000 0.851 468 R HN 0.162 nan 8.270 nan 0.000 0.432 469 L N 1.119 122.284 121.223 -0.096 0.000 2.610 469 L HA -0.020 4.320 4.340 -0.000 0.000 0.232 469 L C 1.932 178.777 176.870 -0.042 0.000 1.149 469 L CA 0.256 55.063 54.840 -0.055 0.000 0.872 469 L CB -0.230 41.803 42.059 -0.045 0.000 0.992 469 L HN 0.094 nan 8.230 nan 0.000 0.447 470 K N 1.298 121.670 120.400 -0.046 0.000 2.147 470 K HA -0.125 4.195 4.320 -0.000 0.000 0.205 470 K C 0.265 176.850 176.600 -0.023 0.000 1.049 470 K CA 1.062 57.330 56.287 -0.033 0.000 0.936 470 K CB -0.422 32.059 32.500 -0.032 0.000 0.722 470 K HN 0.566 nan 8.250 nan 0.000 0.446 471 D N -0.019 120.368 120.400 -0.022 0.000 2.505 471 D HA 0.185 4.825 4.640 -0.000 0.000 0.242 471 D C 0.791 177.083 176.300 -0.014 0.000 1.136 471 D CA -0.155 53.837 54.000 -0.014 0.000 0.954 471 D CB 0.430 41.226 40.800 -0.006 0.000 1.002 471 D HN -0.094 nan 8.370 nan 0.000 0.512 472 L N 1.260 122.474 121.223 -0.015 0.000 2.515 472 L HA 0.345 4.685 4.340 -0.000 0.000 0.202 472 L C 1.484 178.347 176.870 -0.013 0.000 1.056 472 L CA 0.351 55.183 54.840 -0.015 0.000 0.847 472 L CB 0.122 42.171 42.059 -0.017 0.000 1.131 472 L HN 0.697 nan 8.230 nan 0.000 0.484 473 G N 0.781 109.573 108.800 -0.013 0.000 2.212 473 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.255 473 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.255 473 G C 0.733 175.625 174.900 -0.013 0.000 1.062 473 G CA 0.356 45.449 45.100 -0.012 0.000 0.815 473 G HN 0.235 nan 8.290 nan 0.000 0.497 474 L N -1.269 119.946 121.223 -0.013 0.000 2.079 474 L HA -0.096 4.244 4.340 -0.000 0.000 0.210 474 L C 1.922 178.785 176.870 -0.013 0.000 1.081 474 L CA 1.497 56.328 54.840 -0.013 0.000 0.752 474 L CB -0.205 41.846 42.059 -0.013 0.000 0.896 474 L HN 0.501 nan 8.230 nan 0.000 0.433 475 C N 0.848 120.141 119.300 -0.012 0.000 2.379 475 C HA 0.455 4.915 4.460 -0.000 0.000 0.476 475 C C 1.339 176.323 174.990 -0.010 0.000 1.068 475 C CA -0.794 58.217 59.018 -0.011 0.000 1.406 475 C CB -1.341 26.393 27.740 -0.010 0.000 1.496 475 C HN 0.492 nan 8.230 nan 0.000 0.551 476 G N 1.465 110.258 108.800 -0.011 0.000 3.441 476 G HA2 0.453 4.413 3.960 -0.000 0.000 0.195 476 G HA3 0.453 4.413 3.960 -0.000 0.000 0.195 476 G C -0.097 174.797 174.900 -0.011 0.000 1.633 476 G CA -0.109 44.984 45.100 -0.011 0.000 0.895 476 G HN 0.626 nan 8.290 nan 0.000 0.654 477 E N -0.410 119.783 120.200 -0.013 0.000 2.303 477 E HA 0.349 4.699 4.350 -0.000 0.000 0.254 477 E C -0.899 175.692 176.600 -0.015 0.000 0.979 477 E CA -0.902 55.491 56.400 -0.012 0.000 0.843 477 E CB 1.252 30.945 29.700 -0.012 0.000 1.245 477 E HN 0.172 nan 8.360 nan 0.000 0.413 478 N N 0.257 118.949 118.700 -0.014 0.000 3.124 478 N HA 0.108 4.848 4.740 -0.000 0.000 0.284 478 N C 0.806 176.302 175.510 -0.023 0.000 1.209 478 N CA 0.254 53.294 53.050 -0.017 0.000 1.149 478 N CB 0.010 38.489 38.487 -0.013 0.000 1.434 478 N HN 0.710 nan 8.380 nan 0.000 0.529 479 G N 0.938 109.720 108.800 -0.030 0.000 2.549 479 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.222 479 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.222 479 G C 1.130 175.996 174.900 -0.056 0.000 1.100 479 G CA 0.703 45.777 45.100 -0.043 0.000 0.739 479 G HN 0.556 nan 8.290 nan 0.000 0.577 480 D N -0.358 120.015 120.400 -0.045 0.000 2.269 480 D HA -0.055 4.585 4.640 -0.000 0.000 0.208 480 D C 2.351 178.633 176.300 -0.030 0.000 0.963 480 D CA 0.223 54.196 54.000 -0.045 0.000 0.864 480 D CB -0.001 40.781 40.800 -0.031 0.000 0.936 480 D HN 0.204 nan 8.370 nan 0.000 0.505 481 I N 0.409 120.967 120.570 -0.020 0.000 2.315 481 I HA -0.174 3.995 4.170 -0.000 0.000 0.248 481 I C 2.136 178.253 176.117 -0.001 0.000 1.117 481 I CA 0.925 62.221 61.300 -0.005 0.000 1.404 481 I CB -0.809 37.189 38.000 -0.003 0.000 1.071 481 I HN 0.247 nan 8.210 nan 0.000 0.419 482 L N -0.040 121.173 121.223 -0.016 0.000 2.179 482 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 482 L C 2.491 179.345 176.870 -0.027 0.000 1.096 482 L CA 0.610 55.446 54.840 -0.008 0.000 0.779 482 L CB -0.418 41.632 42.059 -0.015 0.000 0.922 482 L HN 0.173 nan 8.230 nan 0.000 0.443 483 E N 0.527 120.666 120.200 -0.103 0.000 2.118 483 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 483 E C 1.554 178.149 176.600 -0.008 0.000 0.992 483 E CA 1.009 57.273 56.400 -0.226 0.000 0.804 483 E CB -0.281 29.291 29.700 -0.212 0.000 0.741 483 E HN 0.537 nan 8.360 nan 0.000 0.458 484 N N 0.296 119.025 118.700 0.048 0.000 2.463 484 N HA -0.001 4.739 4.740 -0.000 0.000 0.181 484 N C 1.732 177.321 175.510 0.132 0.000 1.078 484 N CA 0.277 53.396 53.050 0.115 0.000 0.902 484 N CB 0.221 38.751 38.487 0.071 0.000 0.970 484 N HN 0.203 nan 8.380 nan 0.000 0.451 485 L N -0.180 121.114 121.223 0.118 0.000 2.529 485 L HA 0.028 4.368 4.340 -0.000 0.000 0.223 485 L C 2.039 179.010 176.870 0.169 0.000 1.113 485 L CA 0.263 55.167 54.840 0.107 0.000 0.861 485 L CB -0.165 41.937 42.059 0.072 0.000 1.012 485 L HN 0.225 nan 8.230 nan 0.000 0.461 486 Y N -0.608 119.717 120.300 0.041 0.000 2.239 486 Y HA 0.052 4.602 4.550 -0.000 0.000 0.293 486 Y C 1.224 177.156 175.900 0.054 0.000 1.126 486 Y CA -0.225 57.902 58.100 0.045 0.000 1.128 486 Y CB -0.009 38.487 38.460 0.060 0.000 1.066 486 Y HN -0.057 nan 8.280 nan 0.000 0.516 487 F N 0.000 120.219 119.950 0.449 0.000 2.286 487 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 487 F CA 0.000 58.043 58.000 0.071 0.000 1.383 487 F CB 0.000 39.123 39.000 0.206 0.000 1.145 487 F HN 0.000 nan 8.300 nan 0.000 0.574